A0A5K4FCS9_SCHMA Loading...

Aamy domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCS9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 558 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	25.8	Very low	30.3	Very low	152 Å²	152	139.5 Å²	139.5	75%	0.749	75%	0.748	S	S	*	*				0	124.9	0	-114.5	176.1	-165.8	0	0	110.1	V556 E558	M1-V556 HydrophobicContact SD-CG1 4.44Å; M1-E558 WeakPolarHBondContact CA-OE2 3.31Å; M1-E558 HydrophobicContact CB-CG 4.33Å; M1-E558 PolarHBondContact N-OE2 3.26Å
2	S	26.4	Very low	30.4	Very low	93 Å²	93	146.4 Å²	146.4	65%	0.65	76%	0.755	S	S	*	*			trans	-60.7	132.9	177	56.2	0	0	0	0	111.2	T4	S2-T4 PolarHBondContact O-N 2.84Å
3	I	31.1	Very low	30.5	Very low	99 Å²	99	146.8 Å²	146.8	51%	0.508	76%	0.759	S	S	.	*			trans	-68.8	90.5	161.9	-60.2	169.6	0	0	0	106.9	C5	I3-C5 PolarHBondContact O-N 3.16Å
4	T	29.5	Very low	30.7	Very low	112 Å²	112	147.1 Å²	147.1	69%	0.687	76%	0.761	S	S	*	*			trans	-77.7	90.8	163.5	32.6	0	0	0	0	107.8	S2 Q6	S2-T4 PolarHBondContact O-N 2.84Å; T4-Q6 PolarHBondContact O-N 3.47Å
5	C	34.1	Very low	30.7	Very low	106 Å²	106	148.3 Å²	148.3	72%	0.716	77%	0.769	S	S	*	*			trans	-76.5	99.6	151.3	-73.4	0	0	0	0	105.9	I3 N7	I3-C5 PolarHBondContact O-N 3.16Å; C5-N7 PolarHBondContact O-N 3.42Å
6	Q	29.5	Very low	31	Very low	189 Å²	189	150.5 Å²	150.5	88%	0.883	77%	0.774	S	S	*	*			trans	-62.4	105.2	163.6	-81.4	175.6	-33.8	0	0	107.4	T4	T4-Q6 PolarHBondContact O-N 3.47Å
7	N	32.6	Very low	31.2	Very low	149 Å²	149	150.1 Å²	150.1	80%	0.797	77%	0.774	S	S	*	*			trans	-107.4	130	153	-90	-18.5	0	0	0	107	C5 D9	C5-N7 PolarHBondContact O-N 3.42Å; N7-D9 PolarHBondContact O-N 3.38Å; N7-D9 VanDerWaalsContact O-N 3.12Å
8	L	30.6	Very low	31.4	Very low	171 Å²	171	149.4 Å²	149.4	90%	0.895	77%	0.772	S	S	*	*			trans	-55.7	108	175.2	-71.9	136.8	0	0	0	109.6	Y10	L8-Y10 PolarHBondContact O-N 2.87Å
9	D	31.1	Very low	31.7	Very low	162 Å²	162	153.3 Å²	153.3	87%	0.866	78%	0.777	S	S	*	*			trans	-71.9	117.4	158.6	-86	-32.1	0	0	0	108	N7	N7-D9 PolarHBondContact O-N 3.38Å; N7-D9 VanDerWaalsContact O-N 3.12Å
10	Y	33.4	Very low	32	Very low	207 Å²	207	150.2 Å²	150.2	81%	0.812	77%	0.77	S	S	*	*			trans	-95.8	99.2	157.3	-123	-86.8	0	0	0	106.6	L8	L8-Y10 PolarHBondContact O-N 2.87Å
11	S	29.6	Very low	32.1	Very low	95 Å²	95	149.6 Å²	149.6	66%	0.664	77%	0.769	S	S	*	*			trans	-67.4	131	163	51.3	0	0	0	0	109.3
12	R	30.8	Very low	32.6	Very low	222 Å²	222	148.1 Å²	148.1	84%	0.838	77%	0.768	S	S	*	*			trans	-139.8	101.7	150.3	-102.1	-174.3	-176	165	1.6	108
13	D	31.8	Very low	33.1	Very low	151 Å²	151	149.1 Å²	149.1	81%	0.807	77%	0.767	S	S	*	*			trans	-56.7	129.3	156.9	-63.4	-53.8	0	0	0	109.3
14	I	33.7	Very low	33.3	Very low	152 Å²	152	154.6 Å²	154.6	78%	0.779	78%	0.781	S	S	*	*			trans	-140.3	95.5	152.4	-57.5	-178.9	0	0	0	106.2
15	N	29.9	Very low	33.5	Very low	164 Å²	164	155.9 Å²	155.9	88%	0.877	79%	0.789	S	S	*	*			trans	-96.4	120.3	147.3	-83.4	-23.1	0	0	0	105.5
16	E	35.3	Very low	33.5	Very low	184 Å²	184	161.6 Å²	161.6	86%	0.86	80%	0.795	S	S	*	*			trans	-158.9	136.7	144.6	-118.3	172.3	-168.1	0	0	109.4
17	D	35	Very low	33.6	Very low	144 Å²	144	160.1 Å²	160.1	77%	0.77	79%	0.793	S	S	*	*			trans	-71.3	168	-165.5	-61.8	-61.1	0	0	0	115
18	D	35.1	Very low	33.8	Very low	138 Å²	138	159.8 Å²	159.8	74%	0.738	79%	0.791	S	S	*	*			trans	60.4	113.1	149.9	-71.2	-23.7	0	0	0	118.9
19	Y	36.6	Very low	33.9	Very low	223 Å²	223	157.5 Å²	157.5	88%	0.875	79%	0.785	S	S	*	*				-177.2	150.9	99.7	-102.3	-82.4	0	0	0	110.5
20	S	37.3	Very low	34.1	Very low	90 Å²	90	155.3 Å²	155.3	63%	0.629	78%	0.777	S	S	*	*			trans	-86.3	158.7	-163.7	49.8	0	0	0	0	114.4
21	N	35.1	Very low	34.3	Very low	139 Å²	139	153 Å²	153	74%	0.743	78%	0.779	S	S	*	*			trans	85.4	130	138	-90.8	-17.8	0	0	0	122.1
22	T	36.9	Very low	34.5	Very low	120 Å²	120	151.4 Å²	151.4	74%	0.736	78%	0.777	S	S	*	*			trans	77.2	138.7	147.9	61.8	0	0	0	0	117.9
23	D	36.3	Very low	34.6	Very low	115 Å²	115	151.6 Å²	151.6	62%	0.615	78%	0.779	S	S	*	*			cis	-167.4	147.1	-14.3	-126.2	-29.8	0	0	0	106.7
24	R	35.4	Very low	34.7	Very low	214 Å²	214	149.8 Å²	149.8	81%	0.808	77%	0.774	S	S	*	*			trans	58.5	107.2	142.6	-68.6	161.6	-162.5	-155.8	-3	121.4
25	T	32.7	Very low	34.8	Very low	139 Å²	139	148.4 Å²	148.4	85%	0.853	77%	0.773	S	S	*	*			trans	-63.4	132	134.3	43	0	0	0	0	111.6
26	R	34.4	Very low	34.9	Very low	226 Å²	226	147.6 Å²	147.6	85%	0.853	77%	0.768	S	S	*	*			trans	-160.9	104.5	146.9	-139.2	175	-177.5	164.1	2	110.6
27	N	31.2	Very low	34.9	Very low	158 Å²	158	145 Å²	145	85%	0.845	76%	0.759	S	S	*	*			trans	-77.8	128.7	154	-81.7	-22.9	0	0	0	106.7
28	D	37.2	Very low	34.9	Very low	141 Å²	141	144.6 Å²	144.6	75%	0.754	76%	0.757	S	S	*	*			trans	-153.9	128.8	141.5	-90.3	-35.2	0	0	0	109.5
29	T	33.4	Very low	34.9	Very low	123 Å²	123	144.6 Å²	144.6	76%	0.755	76%	0.757	S	S	*	*			trans	-54.6	157.4	175.5	46.9	0	0	0	0	113.8
30	V	36	Very low	34.6	Very low	117 Å²	117	142.1 Å²	142.1	71%	0.709	75%	0.754	S	S	*	*				168.1	121.7	118.1	161.9	0	0	0	0	111.2
31	N	36.2	Very low	34.3	Very low	158 Å²	158	146.3 Å²	146.3	85%	0.845	76%	0.763	S	S	*	*			trans	66	126.4	150	-63.7	-9.5	0	0	0	122.3
32	G	33.8	Very low	34.1	Very low	61 Å²	61	147.5 Å²	147.5	63%	0.629	77%	0.766	S	S	*	*			trans	150.9	86.1	131.2	0	0	0	0	0	116.8
33	Y	34.2	Very low	33.9	Very low	226 Å²	226	148.5 Å²	148.5	89%	0.886	77%	0.767	S	S	*	*			trans	63.1	109.1	145.7	-61.2	-79.9	0	0	0	121.2
34	T	32.6	Very low	33.8	Very low	114 Å²	114	151.7 Å²	151.7	70%	0.699	78%	0.775	S	S	*	*			trans	-30.6	138	145.9	55.2	0	0	0	0	115.7
35	T	35.3	Very low	33.7	Very low	123 Å²	123	148.8 Å²	148.8	76%	0.755	77%	0.774	S	S	*	*				164.5	120.7	97.8	43.2	0	0	0	0	111.7
36	N	33.7	Very low	33.7	Very low	146 Å²	146	152.8 Å²	152.8	78%	0.781	78%	0.775	S	S	*	*			trans	58.2	129.7	131.5	-96	-7.4	0	0	0	123.8
37	I	34.9	Very low	33.6	Very low	129 Å²	129	151.2 Å²	151.2	66%	0.662	78%	0.777	S	S	*	*			trans	95.4	106.1	134	-64.8	163.4	0	0	0	118.4
38	N	34.7	Very low	33.8	Very low	136 Å²	136	148 Å²	148	73%	0.727	77%	0.767	S	S	*	*			trans	64.7	128.6	134.7	-60.6	-7.2	0	0	0	123.2
39	N	34.2	Very low	33.6	Very low	138 Å²	138	148.2 Å²	148.2	74%	0.738	77%	0.768	S	S	*	*			trans	65	120.5	139.6	-68.2	-4.6	0	0	0	121
40	E	31.3	Very low	33.6	Very low	172 Å²	172	150.7 Å²	150.7	80%	0.804	78%	0.776	S	S	*	*			trans	59.2	98.3	139.2	-65.6	-177.6	158.8	0	0	118.7
41	H	31.8	Very low	33.3	Very low	177 Å²	177	152.2 Å²	152.2	82%	0.819	78%	0.78	S	S	*	*				178	160.6	119.5	-111.4	36.3	0	0	0	111.3
42	M	30.1	Very low	33.2	Very low	165 Å²	165	151.4 Å²	151.4	81%	0.813	78%	0.776	S	S	*	*			trans	99.6	77.1	162.3	-51.4	-53	-118.5	0	0	117.7
43	D	33.6	Very low	33.3	Very low	141 Å²	141	158.4 Å²	158.4	75%	0.754	78%	0.784	S	S	*	*				-9.5	141.8	122.4	-90.5	-30	0	0	0	118
44	K	33.2	Very low	33.4	Very low	181 Å²	181	157.3 Å²	157.3	79%	0.787	78%	0.78	S	S	*	*			trans	66.3	111.1	148.3	-68.4	172.1	-180	171.5	0	118.1
45	I	34	Very low	33.5	Very low	153 Å²	153	162.8 Å²	162.8	79%	0.785	79%	0.79	S	S	*	*				-175.3	113.2	120	-84.9	144.2	0	0	0	106
46	Y	31.6	Very low	33.6	Very low	223 Å²	223	163.8 Å²	163.8	88%	0.875	79%	0.791	S	S	*	*			trans	173.7	71	141.7	-98.2	-72.1	0	0	0	108.3
47	H	32.5	Very low	34.1	Very low	194 Å²	194	163.8 Å²	163.8	90%	0.898	79%	0.79	S	S	*	*			trans	-102.1	122	152.7	-102.3	-65.2	0	0	0	106.2
48	S	35.2	Very low	34.5	Very low	91 Å²	91	165.4 Å²	165.4	64%	0.636	80%	0.801	S	S	*	*			trans	-175.4	134.8	143.1	58.9	0	0	0	0	110.5
49	N	33	Very low	35.3	Very low	144 Å²	144	164.4 Å²	164.4	77%	0.77	79%	0.793	S	S	*	*	S	Bend	trans	90	85.3	159.3	-51.3	-16.8	0	0	0	116.8
50	L	33	Very low	36.3	Very low	176 Å²	176	164.3 Å²	164.3	92%	0.921	79%	0.788	S	S	*	*				178.8	79.2	120.8	-91.6	147.3	0	0	0	108
51	N	30.9	Very low	37.6	Very low	148 Å²	148	161.2 Å²	161.2	79%	0.791	78%	0.783	S	S	*	*			trans	-85.9	160.4	156.6	-96	-6.1	0	0	0	108.3
52	D	33.9	Very low	39.1	Very low	142 Å²	142	160.6 Å²	160.6	76%	0.759	78%	0.78	S	S	*	*			trans	80.1	101.2	169.7	-56.6	-20.7	0	0	0	115
53	Y	35.8	Very low	40.4	Very low	207 Å²	207	157 Å²	157	81%	0.812	76%	0.764	S	S	*	*				173.7	132	118	-102.3	-83.4	0	0	0	109.6
54	Y	35.3	Very low	41.5	Very low	203 Å²	203	153.9 Å²	153.9	80%	0.796	75%	0.746	S	S	*	*			trans	83.1	71.1	169.1	-63.7	-79.4	0	0	0	119.6
55	Y	36	Very low	42.9	Very low	229 Å²	229	147 Å²	147	90%	0.898	73%	0.727	S	S	*	*			trans	-106.8	116.2	132.1	-96.4	-89.3	0	0	0	106.9
56	N	37.4	Very low	44.5	Very low	145 Å²	145	145 Å²	145	78%	0.775	71%	0.712	S	S	*	*			trans	176.1	108.3	154.1	-92.8	-12.2	0	0	0	108.4
57	N	43.3	Very low	45.8	Very low	145 Å²	145	137 Å²	137	78%	0.775	69%	0.686	S	S	*	*	S	Bend	trans	169.4	101.2	136.7	-82.3	-7.5	0	0	0	108.9	M59	N57-M59 PolarHBondContact O-N 3.12Å
58	D	44.3	Very low	47	Very low	164 Å²	164	135.1 Å²	135.1	88%	0.877	68%	0.678	S	S	*	*			trans	44.8	53.2	137.5	-58.5	-17.3	0	0	0	119.3
59	M	50.4	Low	48.6	Very low	115 Å²	115	138.1 Å²	138.1	57%	0.567	68%	0.68	S	S	*	*			trans	-92.7	120.1	154	-95.7	-163.5	-76	0	0	110.2	N57 L63 I64	N57-M59 PolarHBondContact O-N 3.12Å; M59-L63 HydrophobicContact CG-CD2 4.31Å; M59-L63 HydrophobicContact SD-CD2 4.22Å; M59-I64 HydrophobicContact CB-CD1 4.38Å; M59-I64 HydrophobicContact CB-CG1 4.15Å
60	E	56.6	Low	49.9	Very low	136 Å²	136	137.5 Å²	137.5	64%	0.636	67%	0.668	S	S	*	*			trans	-52.2	137.5	171.1	-102.1	175.4	161.7	0	0	111	E62 L63 I64	E60-E62 PolarHBondContact O-N 3.09Å; E60-E62 VanDerWaalsContact O-N 3.13Å; E60-L63 HydrophobicContact CB-CB 4.45Å; E60-L63 WeakPolarHBondContact O-CB 3.32Å; E60-L63 PolarHBondContact O-N 3.29Å; E60-I64 PolarHBondContact O-N 3.03Å
61	P	58.1	Low	50.7	Low	107 Å²	107	135.5 Å²	135.5	70%	0.695	66%	0.658	S	S	*	*	H	α-helix	trans	-60.3	-25.9	-178.8	22.5	-32.1	0	0	0	113	G65	P61-G65 PolarHBondContact O-N 3.19Å; P61-G65 VanDerWaalsContact O-N 3.15Å
62	E	62	Low	51.6	Low	164 Å²	164	132.2 Å²	132.2	77%	0.766	64%	0.643	S	S	*	*	H	α-helix	trans	-70	-33.5	173.9	-65.6	-173.1	167.8	0	0	112.4	E60 G65 F66	E60-E62 PolarHBondContact O-N 3.09Å; E60-E62 VanDerWaalsContact O-N 3.13Å; E62-G65 PolarHBondContact O-N 2.96Å; E62-F66 PolarHBondContact O-N 3.14Å
63	L	57.6	Low	52.3	Low	88 Å²	88	131.5 Å²	131.5	46%	0.461	64%	0.644	S	S	.	*	H	α-helix	trans	-73	-36.7	176.7	-143.3	85.2	0	0	0	111.5	M59 E60 G65 F66 V67	M59-L63 HydrophobicContact CG-CD2 4.31Å; M59-L63 HydrophobicContact SD-CD2 4.22Å; E60-L63 HydrophobicContact CB-CB 4.45Å; E60-L63 WeakPolarHBondContact O-CB 3.32Å; E60-L63 PolarHBondContact O-N 3.29Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 3.11Å; L63-F66 PolarHBondContact O-N 3.13Å; L63-F66 VanDerWaalsContact O-N 3.15Å; L63-V67 WeakPolarHBondContact O-CG2 3.09Å; L63-V67 PolarHBondContact O-N 3.06Å
64	I	56.5	Low	53.1	Low	77 Å²	77	127.2 Å²	127.2	40%	0.395	63%	0.632	S	S	.	*	H	α-helix	trans	-61.7	-41.5	172.5	-62.1	173.2	0	0	0	110.1	M59 E60 Q68	M59-I64 HydrophobicContact CB-CD1 4.38Å; M59-I64 HydrophobicContact CB-CG1 4.15Å; E60-I64 PolarHBondContact O-N 3.03Å; I64-Q68 WeakPolarHBondContact O-CB 3.28Å; I64-Q68 VanDerWaalsContact O-CG 3.31Å; I64-Q68 WeakPolarHBondContact O-CG 3.33Å; I64-Q68 PolarHBondContact O-N 3.17Å
65	G	64.4	Low	53.9	Low	36 Å²	36	126 Å²	126	37%	0.371	64%	0.64	S	S	.	*	H	α-helix	trans	-62.9	-38.9	172.9	0	0	0	0	0	113	P61 E62 L63 K69	P61-G65 PolarHBondContact O-N 3.19Å; P61-G65 VanDerWaalsContact O-N 3.15Å; E62-G65 PolarHBondContact O-N 2.96Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 3.11Å; G65-K69 WeakPolarHBondContact O-CB 3.44Å; G65-K69 PolarHBondContact O-N 3.2Å
66	F	67.4	Low	54.5	Low	111 Å²	111	121.3 Å²	121.3	49%	0.487	63%	0.63	S	S	.	*	H	α-helix	trans	-68.3	-47.9	177.5	-171.7	-91.4	0	0	0	112.5	E62 L63 Q68 K69 Y70	E62-F66 PolarHBondContact O-N 3.14Å; L63-F66 PolarHBondContact O-N 3.13Å; L63-F66 VanDerWaalsContact O-N 3.15Å; F66-Q68 VanDerWaalsContact C-N 3.32Å; F66-Q68 PolarHBondContact O-N 3.41Å; F66-K69 PolarHBondContact O-N 2.92Å; F66-K69 VanDerWaalsContact O-N 3.1Å; F66-Y70 HydrophobicContact CD1-CD2 4.14Å; F66-Y70 AromaticContact CD2-CD2 3.56Å; F66-Y70 HydrophobicContact CD2-CD2 3.56Å; F66-Y70 AromaticContact CD2-CE2 3.56Å; F66-Y70 HydrophobicContact CD2-CE2 3.56Å; F66-Y70 HydrophobicContact CE1-CD2 4.02Å; F66-Y70 HydrophobicContact CE1-CG 4.49Å; F66-Y70 AromaticContact CE2-CD2 3.42Å; F66-Y70 HydrophobicContact CE2-CD2 3.42Å; F66-Y70 VanDerWaalsContact CE2-CD2 3.42Å; F66-Y70 AromaticContact CE2-CE2 3.36Å; F66-Y70 HydrophobicContact CE2-CE2 3.36Å; F66-Y70 HydrophobicContact CE2-CG 4.37Å; F66-Y70 AromaticContact CG-CD2 3.92Å; F66-Y70 HydrophobicContact CG-CD2 3.92Å; F66-Y70 HydrophobicContact CG-CE2 4.36Å; F66-Y70 AromaticContact CZ-CD2 3.66Å; F66-Y70 HydrophobicContact CZ-CD2 3.66Å; F66-Y70 HydrophobicContact CZ-CE2 4.02Å; F66-Y70 HydrophobicContact CZ-CG 4.22Å; F66-Y70 WeakPolarHBondContact O-CD2 3.31Å; F66-Y70 PolarHBondContact O-N 3.02Å
67	V	59.1	Low	54.6	Low	54 Å²	54	118 Å²	118	33%	0.327	63%	0.63	S	S	.	*	H	α-helix	trans	-63.3	-39.1	178.9	175.7	0	0	0	0	110.9	L63 N71	L63-V67 WeakPolarHBondContact O-CG2 3.09Å; L63-V67 PolarHBondContact O-N 3.06Å; V67-N71 PolarHBondContact O-N 2.63Å
68	Q	57.5	Low	54.8	Low	156 Å²	156	115 Å²	115	73%	0.729	63%	0.626	S	S	*	*	H	α-helix	trans	-66.5	-33.6	173.4	-77.9	-178.7	-6.3	0	0	113.3	I64 F66	I64-Q68 WeakPolarHBondContact O-CB 3.28Å; I64-Q68 VanDerWaalsContact O-CG 3.31Å; I64-Q68 WeakPolarHBondContact O-CG 3.33Å; I64-Q68 PolarHBondContact O-N 3.17Å; F66-Q68 VanDerWaalsContact C-N 3.32Å; F66-Q68 PolarHBondContact O-N 3.41Å
69	K	67.2	Low	55	Low	154 Å²	154	113.9 Å²	113.9	67%	0.67	62%	0.624	S	S	*	*	H	α-helix	trans	-79.8	-33.5	-178	-172.2	175.4	-179.2	-176	0	113.2	G65 F66	G65-K69 WeakPolarHBondContact O-CB 3.44Å; G65-K69 PolarHBondContact O-N 3.2Å; F66-K69 PolarHBondContact O-N 2.92Å; F66-K69 VanDerWaalsContact O-N 3.1Å
70	Y	61.9	Low	54.9	Low	130 Å²	130	114.6 Å²	114.6	51%	0.51	63%	0.63	S	S	.	*	H	α-helix	trans	-108.3	1.6	-171.9	-69.2	-78.2	0	0	0	115.3	F66 V72	F66-Y70 HydrophobicContact CD1-CD2 4.14Å; F66-Y70 AromaticContact CD2-CD2 3.56Å; F66-Y70 HydrophobicContact CD2-CD2 3.56Å; F66-Y70 AromaticContact CD2-CE2 3.56Å; F66-Y70 HydrophobicContact CD2-CE2 3.56Å; F66-Y70 HydrophobicContact CE1-CD2 4.02Å; F66-Y70 HydrophobicContact CE1-CG 4.49Å; F66-Y70 AromaticContact CE2-CD2 3.42Å; F66-Y70 HydrophobicContact CE2-CD2 3.42Å; F66-Y70 VanDerWaalsContact CE2-CD2 3.42Å; F66-Y70 AromaticContact CE2-CE2 3.36Å; F66-Y70 HydrophobicContact CE2-CE2 3.36Å; F66-Y70 HydrophobicContact CE2-CG 4.37Å; F66-Y70 AromaticContact CG-CD2 3.92Å; F66-Y70 HydrophobicContact CG-CD2 3.92Å; F66-Y70 HydrophobicContact CG-CE2 4.36Å; F66-Y70 AromaticContact CZ-CD2 3.66Å; F66-Y70 HydrophobicContact CZ-CD2 3.66Å; F66-Y70 HydrophobicContact CZ-CE2 4.02Å; F66-Y70 HydrophobicContact CZ-CG 4.22Å; F66-Y70 WeakPolarHBondContact O-CD2 3.31Å; F66-Y70 PolarHBondContact O-N 3.02Å; Y70-V72 PolarHBondContact O-N 2.94Å; Y70-V72 VanDerWaalsContact O-N 3.13Å
71	N	48.6	Very low	54.9	Low	134 Å²	134	112.6 Å²	112.6	72%	0.717	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	52	40.5	170.5	-143.1	41	0	0	0	112.5	V67 V73	V67-N71 PolarHBondContact O-N 2.63Å; N71-V73 PolarHBondContact O-N 3.13Å
72	V	51.1	Low	54.9	Low	79 Å²	79	115.6 Å²	115.6	48%	0.479	63%	0.626	S	S	.	*			trans	-75.3	116.8	-176.9	-177	0	0	0	0	108.5	Y70 M74	Y70-V72 PolarHBondContact O-N 2.94Å; Y70-V72 VanDerWaalsContact O-N 3.13Å; V72-M74 HydrophobicContact CG1-CG 4.47Å
73	V	47.3	Very low	55.1	Low	128 Å²	128	111.3 Å²	111.3	78%	0.776	61%	0.614	S	S	*	*			trans	-81	115.2	172.6	-177.2	0	0	0	0	107.2	N71	N71-V73 PolarHBondContact O-N 3.13Å
74	M	52.8	Low	55.4	Low	116 Å²	116	109.5 Å²	109.5	57%	0.571	61%	0.611	S	S	*	*			trans	-97	140.2	164.6	-63.3	-161.8	-78.9	0	0	108.2	V72 D76	V72-M74 HydrophobicContact CG1-CG 4.47Å; M74-D76 VanDerWaalsContact CB-OD1 3.3Å; M74-D76 WeakPolarHBondContact CB-OD1 3.39Å; M74-D76 PolarHBondContact O-N 2.82Å
75	D	52.7	Low	55.7	Low	178 Å²	178	109.5 Å²	109.5	95%	0.952	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	7.1	-167.4	-99.8	-22.8	0	0	0	114.9
76	D	47.4	Very low	55.9	Low	130 Å²	130	112.7 Å²	112.7	70%	0.695	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	71.1	-169.8	45.6	-7.4	0	0	0	111.6	M74 A78	M74-D76 VanDerWaalsContact CB-OD1 3.3Å; M74-D76 WeakPolarHBondContact CB-OD1 3.39Å; M74-D76 PolarHBondContact O-N 2.82Å; D76-A78 PolarHBondContact O-N 3.42Å
77	G	40.2	Very low	56	Low	75 Å²	75	114.7 Å²	114.7	77%	0.773	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.6	36.5	149.5	0	0	0	0	0	118	V79	G77-V79 PolarHBondContact O-N 2.86Å
78	A	47.1	Very low	56.4	Low	83 Å²	83	117.9 Å²	117.9	69%	0.686	64%	0.638	S	S	*	*			trans	-57.3	124.3	-177	0	0	0	0	0	114.6	D76 L80	D76-A78 PolarHBondContact O-N 3.42Å; A78-L80 PolarHBondContact O-N 3.48Å
79	V	49.9	Very low	56.8	Low	140 Å²	140	113.3 Å²	113.3	85%	0.848	62%	0.623	S	S	*	*			trans	-52.3	108	177.6	178.2	0	0	0	0	111.5	G77 N81	G77-V79 PolarHBondContact O-N 2.86Å; V79-N81 PolarHBondContact O-N 3.41Å
80	L	47.4	Very low	56.8	Low	130 Å²	130	111 Å²	111	68%	0.681	62%	0.617	S	S	*	*			trans	-75.1	104.8	172.7	-79.7	157.9	0	0	0	109.8	A78 K82 L85	A78-L80 PolarHBondContact O-N 3.48Å; L80-K82 PolarHBondContact O-N 3.42Å; L80-L85 HydrophobicContact CB-CD1 3.7Å; L80-L85 HydrophobicContact CD1-CD1 4.26Å; L80-L85 HydrophobicContact CD2-CD1 3.62Å; L80-L85 HydrophobicContact CD2-CD2 4.1Å; L80-L85 HydrophobicContact CD2-CG 3.9Å; L80-L85 HydrophobicContact CG-CD1 4.04Å
81	N	56	Low	57	Low	95 Å²	95	109.8 Å²	109.8	51%	0.508	62%	0.619	S	S	.	*			trans	-60.9	102.4	167.6	-178.9	-12.3	0	0	0	109.1	V79 S83 A84 L85	V79-N81 PolarHBondContact O-N 3.41Å; N81-S83 PolarHBondContact O-N 2.86Å; N81-S83 VanDerWaalsContact O-N 3.11Å; N81-S83 WeakPolarHBondContact OD1-CB 3.24Å; N81-S83 PolarHBondContact OD1-N 2.75Å; N81-S83 PolarHBondContact OD1-OG 2.92Å; N81-A84 HydrophobicContact CB-CB 3.93Å; N81-A84 PolarHBondContact O-N 2.76Å; N81-A84 PolarHBondContact OD1-N 2.87Å; N81-L85 PolarHBondContact O-N 3.46Å
82	K	59.6	Low	57.7	Low	170 Å²	170	107.2 Å²	107.2	74%	0.739	61%	0.605	S	S	*	*	H	α-helix	trans	-50.8	-35.2	179	-106	179.6	178.2	174.7	0	112.5	L80 L86	L80-K82 PolarHBondContact O-N 3.42Å; K82-L86 WeakPolarHBondContact O-CB 3.36Å; K82-L86 PolarHBondContact O-N 3.15Å
83	S	65.2	Low	58.1	Low	73 Å²	73	111.1 Å²	111.1	51%	0.51	62%	0.616	S	S	.	*	H	α-helix	trans	-74.6	-33.9	179.7	74.1	0	0	0	0	112.7	N81 L86 K87	N81-S83 PolarHBondContact O-N 2.86Å; N81-S83 VanDerWaalsContact O-N 3.11Å; N81-S83 WeakPolarHBondContact OD1-CB 3.24Å; N81-S83 PolarHBondContact OD1-N 2.75Å; N81-S83 PolarHBondContact OD1-OG 2.92Å; S83-L86 PolarHBondContact O-N 3.06Å; S83-K87 PolarHBondContact O-N 3.1Å
84	A	63.5	Low	58.7	Low	50 Å²	50	113.6 Å²	113.6	41%	0.413	62%	0.616	S	S	.	*	H	α-helix	trans	-73.4	-38	173.7	0	0	0	0	0	111.2	N81 L86 K87 K88	N81-A84 HydrophobicContact CB-CB 3.93Å; N81-A84 PolarHBondContact O-N 2.76Å; N81-A84 PolarHBondContact OD1-N 2.87Å; A84-L86 VanDerWaalsContact C-N 3.35Å; A84-K87 PolarHBondContact O-N 3.03Å; A84-K88 WeakPolarHBondContact O-CB 3.46Å; A84-K88 PolarHBondContact O-N 2.97Å
85	L	63.8	Low	58.9	Low	78 Å²	78	114.2 Å²	114.2	41%	0.408	62%	0.621	S	S	.	*	H	α-helix	trans	-62.9	-38.6	168.8	-88.9	171.9	0	0	0	112.2	L80 N81 S89	L80-L85 HydrophobicContact CB-CD1 3.7Å; L80-L85 HydrophobicContact CD1-CD1 4.26Å; L80-L85 HydrophobicContact CD2-CD1 3.62Å; L80-L85 HydrophobicContact CD2-CD2 4.1Å; L80-L85 HydrophobicContact CD2-CG 3.9Å; L80-L85 HydrophobicContact CG-CD1 4.04Å; N81-L85 PolarHBondContact O-N 3.46Å; L85-S89 WeakPolarHBondContact O-CB 3.39Å; L85-S89 PolarHBondContact O-N 3.38Å; L85-S89 PolarHBondContact O-OG 3.45Å
86	L	68.4	Low	59	Low	102 Å²	102	112.5 Å²	112.5	53%	0.534	61%	0.608	S	S	.	*	H	α-helix	trans	-66.7	-46.3	174.2	-102.7	149.8	0	0	0	111.1	K82 S83 A84 K88 S89 I90	K82-L86 WeakPolarHBondContact O-CB 3.36Å; K82-L86 PolarHBondContact O-N 3.15Å; S83-L86 PolarHBondContact O-N 3.06Å; A84-L86 VanDerWaalsContact C-N 3.35Å; L86-K88 PolarHBondContact O-N 2.96Å; L86-S89 WeakPolarHBondContact CA-OG 3.15Å; L86-S89 PolarHBondContact O-N 2.9Å; L86-S89 PolarHBondContact O-OG 3.05Å; L86-I90 HydrophobicContact CD2-CD1 4.27Å; L86-I90 VanDerWaalsContact O-CB 3.31Å; L86-I90 WeakPolarHBondContact O-CB 3.15Å; L86-I90 VanDerWaalsContact O-CD1 3.32Å; L86-I90 WeakPolarHBondContact O-CD1 3.34Å; L86-I90 WeakPolarHBondContact O-CG1 3.31Å; L86-I90 PolarHBondContact O-N 2.72Å
87	K	69.1	Low	59.7	Low	154 Å²	154	116 Å²	116	67%	0.67	62%	0.616	S	S	*	*	H	α-helix	trans	-63	-42.2	174.6	-95.6	-178.8	175.6	176.6	0	112.4	S83 A84 I90 L91	S83-K87 PolarHBondContact O-N 3.1Å; A84-K87 PolarHBondContact O-N 3.03Å; K87-I90 PolarHBondContact O-N 3.49Å; K87-L91 WeakPolarHBondContact O-CB 3.22Å; K87-L91 PolarHBondContact O-N 3.45Å
88	K	68.8	Low	60.8	Low	121 Å²	121	121.6 Å²	121.6	53%	0.526	62%	0.62	S	S	.	*	H	α-helix	trans	-66.6	-43.8	176.8	-172.5	174.1	-179.7	178.4	0	111.1	A84 L86 I90 L91 D92	A84-K88 WeakPolarHBondContact O-CB 3.46Å; A84-K88 PolarHBondContact O-N 2.97Å; L86-K88 PolarHBondContact O-N 2.96Å; K88-I90 VanDerWaalsContact C-N 3.32Å; K88-I90 PolarHBondContact O-N 3.41Å; K88-L91 PolarHBondContact O-N 2.97Å; K88-D92 WeakPolarHBondContact O-CB 3.34Å; K88-D92 VanDerWaalsContact O-CG 3.24Å; K88-D92 PolarHBondContact O-N 3.41Å
89	S	64.6	Low	61.9	Low	60 Å²	60	123.2 Å²	123.2	42%	0.42	61%	0.612	S	S	.	*	H	α-helix	trans	-66.2	-31.9	174.9	62.5	0	0	0	0	112.8	L85 L86 K93	L85-S89 WeakPolarHBondContact O-CB 3.39Å; L85-S89 PolarHBondContact O-N 3.38Å; L85-S89 PolarHBondContact O-OG 3.45Å; L86-S89 WeakPolarHBondContact CA-OG 3.15Å; L86-S89 PolarHBondContact O-N 2.9Å; L86-S89 PolarHBondContact O-OG 3.05Å; S89-K93 VanDerWaalsContact O-CB 3.28Å; S89-K93 WeakPolarHBondContact O-CB 3.38Å; S89-K93 PolarHBondContact O-N 2.96Å
90	I	67.3	Low	63	Low	105 Å²	105	124.8 Å²	124.8	54%	0.538	61%	0.609	S	S	.	*	H	α-helix	trans	-71.6	-41.7	172.5	-68.5	163.4	0	0	0	111.1	L86 K87 K88 K93 K94	L86-I90 HydrophobicContact CD2-CD1 4.27Å; L86-I90 VanDerWaalsContact O-CB 3.31Å; L86-I90 WeakPolarHBondContact O-CB 3.15Å; L86-I90 VanDerWaalsContact O-CD1 3.32Å; L86-I90 WeakPolarHBondContact O-CD1 3.34Å; L86-I90 WeakPolarHBondContact O-CG1 3.31Å; L86-I90 PolarHBondContact O-N 2.72Å; K87-I90 PolarHBondContact O-N 3.49Å; K88-I90 VanDerWaalsContact C-N 3.32Å; K88-I90 PolarHBondContact O-N 3.41Å; I90-K93 PolarHBondContact O-N 2.92Å; I90-K94 PolarHBondContact O-N 2.88Å; I90-K94 VanDerWaalsContact O-N 3.16Å
91	L	65.7	Low	64.1	Low	105 Å²	105	119.3 Å²	119.3	55%	0.55	58%	0.582	S	S	.	*	H	α-helix	trans	-67.6	-42.4	175.1	-96.9	148	0	0	0	112.1	K87 K88 K93 K94 N95	K87-L91 WeakPolarHBondContact O-CB 3.22Å; K87-L91 PolarHBondContact O-N 3.45Å; K88-L91 PolarHBondContact O-N 2.97Å; L91-K93 VanDerWaalsContact C-N 3.35Å; L91-K94 WeakPolarHBondContact O-CA 3.34Å; L91-K94 VanDerWaalsContact O-CB 3.31Å; L91-K94 WeakPolarHBondContact O-CB 3.27Å; L91-K94 PolarHBondContact O-N 3.03Å; L91-N95 PolarHBondContact O-N 3.32Å; L91-N95 VanDerWaalsContact O-N 3.09Å
92	D	63.7	Low	65	Low	79 Å²	79	117.9 Å²	117.9	42%	0.422	58%	0.578	S	S	.	*	H	α-helix	trans	-66.7	-37.2	175.3	-73.8	-18.8	0	0	0	110.4	K88 K94 N95 Q96	K88-D92 WeakPolarHBondContact O-CB 3.34Å; K88-D92 VanDerWaalsContact O-CG 3.24Å; K88-D92 PolarHBondContact O-N 3.41Å; D92-K94 PolarHBondContact O-N 3.35Å; D92-N95 CarbonylContact O-C 3.49Å; D92-N95 PolarHBondContact O-N 2.9Å; D92-N95 VanDerWaalsContact O-N 3.12Å; D92-Q96 WeakPolarHBondContact O-CG 3.21Å; D92-Q96 PolarHBondContact O-N 3.17Å
93	K	60.3	Low	65.6	Low	162 Å²	162	119.3 Å²	119.3	70%	0.704	58%	0.584	S	S	*	*	H	α-helix	trans	-59.1	-32.8	169.3	-116.8	178.4	174.9	176.2	0	112.5	S89 I90 L91	S89-K93 VanDerWaalsContact O-CB 3.28Å; S89-K93 WeakPolarHBondContact O-CB 3.38Å; S89-K93 PolarHBondContact O-N 2.96Å; I90-K93 PolarHBondContact O-N 2.92Å; L91-K93 VanDerWaalsContact C-N 3.35Å
94	K	58.8	Low	66.1	Low	180 Å²	180	119.7 Å²	119.7	78%	0.783	60%	0.599	S	S	*	*	H	α-helix	trans	-76.2	-26.1	178.1	-133.6	179	-176.6	-177.1	0	112.5	I90 L91 D92	I90-K94 PolarHBondContact O-N 2.88Å; I90-K94 VanDerWaalsContact O-N 3.16Å; L91-K94 WeakPolarHBondContact O-CA 3.34Å; L91-K94 VanDerWaalsContact O-CB 3.31Å; L91-K94 WeakPolarHBondContact O-CB 3.27Å; L91-K94 PolarHBondContact O-N 3.03Å; D92-K94 PolarHBondContact O-N 3.35Å
95	N	58.2	Low	66.8	Low	128 Å²	128	119.7 Å²	119.7	68%	0.684	59%	0.592	S	S	*	*	H	α-helix	trans	-104.6	1.3	-179.2	-76.2	-14	0	0	0	114.7	L91 D92 K97	L91-N95 PolarHBondContact O-N 3.32Å; L91-N95 VanDerWaalsContact O-N 3.09Å; D92-N95 CarbonylContact O-C 3.49Å; D92-N95 PolarHBondContact O-N 2.9Å; D92-N95 VanDerWaalsContact O-N 3.12Å; N95-K97 PolarHBondContact O-N 3.2Å
96	Q	53.5	Low	67.7	Low	143 Å²	143	118.7 Å²	118.7	67%	0.668	59%	0.592	S	S	*	*			trans	-62.4	113.8	171.7	-87.3	178.4	3.5	0	0	109.4	D92 K98	D92-Q96 WeakPolarHBondContact O-CG 3.21Å; D92-Q96 PolarHBondContact O-N 3.17Å; Q96-K98 PolarHBondContact O-N 3.15Å; Q96-K98 VanDerWaalsContact O-N 3.13Å
97	K	62.1	Low	68.3	Low	202 Å²	202	118.5 Å²	118.5	88%	0.878	59%	0.591	S	S	*	*			trans	-51.4	122.9	167	-71.9	-176.7	178.7	179.5	0	107.1	N95 F99	N95-K97 PolarHBondContact O-N 3.2Å; K97-F99 PolarHBondContact O-N 3.21Å; K97-F99 VanDerWaalsContact O-N 3.14Å
98	K	64.8	Low	69	Low	193 Å²	193	119.1 Å²	119.1	84%	0.839	59%	0.594	S	S	*	*			trans	-48.7	125.9	174.2	-79.3	-177.8	177.2	177.4	0	107.8	Q96 Q100	Q96-K98 PolarHBondContact O-N 3.15Å; Q96-K98 VanDerWaalsContact O-N 3.13Å; K98-Q100 PolarHBondContact O-N 2.87Å
99	F	69.8	Low	69.8	Low	118 Å²	118	118.5 Å²	118.5	52%	0.518	59%	0.594	S	S	.	*			trans	-51.7	113.5	177.5	175.4	-97.8	0	0	0	108.9	K97 P101 L107 F110	K97-F99 PolarHBondContact O-N 3.21Å; K97-F99 VanDerWaalsContact O-N 3.14Å; F99-P101 HydrophobicContact CE1-CB 3.77Å; F99-P101 HydrophobicContact CZ-CB 4.34Å; F99-L107 HydrophobicContact CD1-CD1 3.73Å; F99-L107 HydrophobicContact CE1-CD1 4.33Å; F99-F110 AromaticContact CE1-CD1 3.5Å; F99-F110 HydrophobicContact CE1-CD1 3.5Å; F99-F110 AromaticContact CE1-CE1 3.46Å; F99-F110 HydrophobicContact CE1-CE1 3.46Å; F99-F110 VanDerWaalsContact CE1-CE1 3.46Å; F99-F110 HydrophobicContact CE1-CG 4.23Å; F99-F110 HydrophobicContact CE1-CZ 4.18Å; F99-F110 AromaticContact CZ-CD1 3.89Å; F99-F110 HydrophobicContact CZ-CD1 3.89Å; F99-F110 AromaticContact CZ-CE1 3.34Å; F99-F110 HydrophobicContact CZ-CE1 3.34Å; F99-F110 HydrophobicContact CZ-CE2 4.45Å; F99-F110 AromaticContact CZ-CZ 3.68Å; F99-F110 HydrophobicContact CZ-CZ 3.68Å
100	Q	71.8	Confident	70.8	Confident	172 Å²	172	117.6 Å²	117.6	80%	0.804	58%	0.582	S	S	*	*			trans	-96.5	112.6	170.4	-75.2	-178.6	-26.1	0	0	106	K98	K98-Q100 PolarHBondContact O-N 2.87Å
101	P	70.5	Confident	71.7	Confident	16 Å²	16	116.6 Å²	116.6	10%	0.104	58%	0.577	C	S	.	*			trans	-60.4	147.5	178.8	28.7	-37.6	0	0	0	110.3	F99 L105 F110	F99-P101 HydrophobicContact CE1-CB 3.77Å; F99-P101 HydrophobicContact CZ-CB 4.34Å; P101-L105 HydrophobicContact CB-CB 4.3Å; P101-L105 HydrophobicContact CG-CB 4.16Å; P101-L105 WeakPolarHBondContact CG-O 3.36Å; P101-F110 HydrophobicContact CB-CB 3.43Å; P101-F110 VanDerWaalsContact CB-CB 3.43Å; P101-F110 HydrophobicContact CB-CD1 4.11Å; P101-F110 HydrophobicContact CB-CD2 3.68Å; P101-F110 HydrophobicContact CB-CE2 4.46Å; P101-F110 HydrophobicContact CB-CG 3.47Å; P101-F110 VanDerWaalsContact CB-CG 3.47Å; P101-F110 HydrophobicContact CG-CB 4.13Å
102	P	75.2	Confident	72.8	Confident	65 Å²	65	116.1 Å²	116.1	42%	0.422	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-60.2	158.1	177.6	26.1	-34.4	0	0	0	111.4	G104 L105 F110	P102-G104 VanDerWaalsContact C-N 3.32Å; P102-G104 PolarHBondContact O-N 3.37Å; P102-L105 WeakPolarHBondContact O-CD1 2.94Å; P102-F110 HydrophobicContact CG-CD2 4.32Å; P102-F110 HydrophobicContact CG-CE2 3.78Å
103	F	73.3	Confident	73.9	Confident	200 Å²	200	116.4 Å²	116.4	88%	0.877	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	64.9	19.1	176.5	-55.8	-79.1	0	0	0	117.1	L105	F103-L105 HydrophobicContact CB-CD1 4.49Å; F103-L105 PolarHBondContact O-N 3.13Å
104	G	75.8	Confident	75.2	Confident	80 Å²	80	112.7 Å²	112.7	83%	0.825	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	72.4	17.3	176.2	0	0	0	0	0	114.2	P102	P102-G104 VanDerWaalsContact C-N 3.32Å; P102-G104 PolarHBondContact O-N 3.37Å
105	L	77.9	Confident	76.6	Confident	50 Å²	50	108.6 Å²	108.6	26%	0.262	55%	0.548	S	S	.	.			trans	-66.8	155.2	175.8	-70.7	158.7	0	0	0	110.7	P101 P102 F103 M109 L113	P101-L105 HydrophobicContact CB-CB 4.3Å; P101-L105 HydrophobicContact CG-CB 4.16Å; P101-L105 WeakPolarHBondContact CG-O 3.36Å; P102-L105 WeakPolarHBondContact O-CD1 2.94Å; F103-L105 HydrophobicContact CB-CD1 4.49Å; F103-L105 PolarHBondContact O-N 3.13Å; L105-M109 HydrophobicContact CB-CB 4.31Å; L105-M109 HydrophobicContact CD2-CB 3.92Å; L105-M109 HydrophobicContact CD2-CE 3.86Å; L105-M109 HydrophobicContact CD2-SD 4.38Å; L105-L113 HydrophobicContact CD1-CD2 4.25Å
106	S	82.2	Confident	78.2	Confident	58 Å²	58	106.7 Å²	106.7	41%	0.406	54%	0.537	S	S	.	.			trans	-75.7	155	164.1	72.1	0	0	0	0	110	K108 M109 F110	S106-K108 PolarHBondContact O-N 3.3Å; S106-M109 PolarHBondContact O-N 2.98Å; S106-M109 VanDerWaalsContact OG-CG 3.24Å; S106-M109 WeakPolarHBondContact OG-CG 3.49Å; S106-M109 PolarHBondContact OG-N 2.87Å; S106-F110 PolarHBondContact O-N 3.43Å
107	L	80.8	Confident	79.8	Confident	97 Å²	97	103.4 Å²	103.4	51%	0.508	53%	0.527	S	S	.	.	H	α-helix	trans	-53.4	-39	176.6	-172	77.1	0	0	0	111.7	F99 F110 I111	F99-L107 HydrophobicContact CD1-CD1 3.73Å; F99-L107 HydrophobicContact CE1-CD1 4.33Å; L107-F110 PolarHBondContact O-N 3.28Å; L107-I111 HydrophobicContact CG-CD1 4.18Å; L107-I111 WeakPolarHBondContact O-CG1 3.26Å; L107-I111 PolarHBondContact O-N 3.26Å
108	K	84.7	Confident	81.1	Confident	168 Å²	168	97.9 Å²	97.9	73%	0.73	51%	0.513	S	S	*	.	H	α-helix	trans	-63.3	-44.7	175.2	-70.9	-174.1	177.6	-177.7	0	111.9	S106 F110 I111 I112	S106-K108 PolarHBondContact O-N 3.3Å; K108-F110 VanDerWaalsContact C-N 3.34Å; K108-F110 PolarHBondContact O-N 3.17Å; K108-I111 PolarHBondContact O-N 3.44Å; K108-I112 VanDerWaalsContact O-CG1 3.27Å; K108-I112 WeakPolarHBondContact O-CG1 3.49Å; K108-I112 PolarHBondContact O-N 3.48Å
109	M	85.3	Confident	82.3	Confident	108 Å²	108	93.5 Å²	93.5	53%	0.532	50%	0.498	S	S	.	.	H	α-helix	trans	-65.3	-37.4	177.8	-71.2	171.4	82.8	0	0	112.1	L105 S106 I112 L113	L105-M109 HydrophobicContact CB-CB 4.31Å; L105-M109 HydrophobicContact CD2-CB 3.92Å; L105-M109 HydrophobicContact CD2-CE 3.86Å; L105-M109 HydrophobicContact CD2-SD 4.38Å; S106-M109 PolarHBondContact O-N 2.98Å; S106-M109 VanDerWaalsContact OG-CG 3.24Å; S106-M109 WeakPolarHBondContact OG-CG 3.49Å; S106-M109 PolarHBondContact OG-N 2.87Å; M109-I112 PolarHBondContact O-N 3.27Å; M109-L113 WeakPolarHBondContact O-CB 3.35Å; M109-L113 PolarHBondContact O-N 2.98Å
110	F	86.1	Confident	83.4	Confident	40 Å²	40	92.3 Å²	92.3	18%	0.175	50%	0.497	C	S	.	.	H	α-helix	trans	-67.3	-41.6	177.3	-176.9	-104.6	0	0	0	112.7	F99 P101 P102 S106 L107 K108 L113 I114	F99-F110 AromaticContact CE1-CD1 3.5Å; F99-F110 HydrophobicContact CE1-CD1 3.5Å; F99-F110 AromaticContact CE1-CE1 3.46Å; F99-F110 HydrophobicContact CE1-CE1 3.46Å; F99-F110 VanDerWaalsContact CE1-CE1 3.46Å; F99-F110 HydrophobicContact CE1-CG 4.23Å; F99-F110 HydrophobicContact CE1-CZ 4.18Å; F99-F110 AromaticContact CZ-CD1 3.89Å; F99-F110 HydrophobicContact CZ-CD1 3.89Å; F99-F110 AromaticContact CZ-CE1 3.34Å; F99-F110 HydrophobicContact CZ-CE1 3.34Å; F99-F110 HydrophobicContact CZ-CE2 4.45Å; F99-F110 AromaticContact CZ-CZ 3.68Å; F99-F110 HydrophobicContact CZ-CZ 3.68Å; P101-F110 HydrophobicContact CB-CB 3.43Å; P101-F110 VanDerWaalsContact CB-CB 3.43Å; P101-F110 HydrophobicContact CB-CD1 4.11Å; P101-F110 HydrophobicContact CB-CD2 3.68Å; P101-F110 HydrophobicContact CB-CE2 4.46Å; P101-F110 HydrophobicContact CB-CG 3.47Å; P101-F110 VanDerWaalsContact CB-CG 3.47Å; P101-F110 HydrophobicContact CG-CB 4.13Å; P102-F110 HydrophobicContact CG-CD2 4.32Å; P102-F110 HydrophobicContact CG-CE2 3.78Å; S106-F110 PolarHBondContact O-N 3.43Å; L107-F110 PolarHBondContact O-N 3.28Å; K108-F110 VanDerWaalsContact C-N 3.34Å; K108-F110 PolarHBondContact O-N 3.17Å; F110-L113 WeakPolarHBondContact O-CB 3.34Å; F110-L113 PolarHBondContact O-N 3.45Å; F110-I114 HydrophobicContact CD1-CD1 3.8Å; F110-I114 HydrophobicContact CE1-CD1 3.25Å; F110-I114 HydrophobicContact CE1-CG1 4.25Å; F110-I114 HydrophobicContact CE2-CD1 4.35Å; F110-I114 HydrophobicContact CZ-CD1 3.57Å; F110-I114 HydrophobicContact CZ-CG1 4.27Å; F110-I114 WeakPolarHBondContact O-CG1 3.37Å; F110-I114 PolarHBondContact O-N 3.15Å
111	I	86.3	Confident	84.3	Confident	84 Å²	84	89.4 Å²	89.4	43%	0.431	49%	0.486	S	S	.	.	H	α-helix	trans	-63.7	-44.3	174.8	-67.7	167.7	0	0	0	110.6	L107 K108 L113 I114 I115	L107-I111 HydrophobicContact CG-CD1 4.18Å; L107-I111 WeakPolarHBondContact O-CG1 3.26Å; L107-I111 PolarHBondContact O-N 3.26Å; K108-I111 PolarHBondContact O-N 3.44Å; I111-L113 VanDerWaalsContact C-N 3.3Å; I111-L113 PolarHBondContact O-N 3.38Å; I111-I114 PolarHBondContact O-N 3.4Å; I111-I115 HydrophobicContact CG2-CD1 3.83Å; I111-I115 HydrophobicContact CG2-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CG1 3.21Å; I111-I115 PolarHBondContact O-N 2.87Å
112	I	87.8	Confident	85.3	Confident	96 Å²	96	91.5 Å²	91.5	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-60	-42.7	175.3	-69.6	166.3	0	0	0	110.5	K108 M109 I114 I115 I116	K108-I112 VanDerWaalsContact O-CG1 3.27Å; K108-I112 WeakPolarHBondContact O-CG1 3.49Å; K108-I112 PolarHBondContact O-N 3.48Å; M109-I112 PolarHBondContact O-N 3.27Å; I112-I114 PolarHBondContact O-N 2.85Å; I112-I115 PolarHBondContact O-N 2.79Å; I112-I116 HydrophobicContact CG2-CD1 3.58Å; I112-I116 HydrophobicContact CG2-CG1 4.22Å; I112-I116 WeakPolarHBondContact O-CB 3.43Å; I112-I116 VanDerWaalsContact O-CG1 3.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.41Å; I112-I116 PolarHBondContact O-N 3.19Å
113	L	87	Confident	86.2	Confident	85 Å²	85	93.5 Å²	93.5	45%	0.445	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-45.1	177.3	-169.2	77.5	0	0	0	111.5	L105 M109 F110 I111 I116 T117	L105-L113 HydrophobicContact CD1-CD2 4.25Å; M109-L113 WeakPolarHBondContact O-CB 3.35Å; M109-L113 PolarHBondContact O-N 2.98Å; F110-L113 WeakPolarHBondContact O-CB 3.34Å; F110-L113 PolarHBondContact O-N 3.45Å; I111-L113 VanDerWaalsContact C-N 3.3Å; I111-L113 PolarHBondContact O-N 3.38Å; L113-I116 PolarHBondContact O-N 3.42Å; L113-T117 WeakPolarHBondContact O-CG2 3.47Å; L113-T117 PolarHBondContact O-N 3.43Å; L113-T117 PolarHBondContact O-OG1 2.9Å; L113-T117 VanDerWaalsContact O-OG1 3.04Å
114	I	87	Confident	87.2	Confident	84 Å²	84	88.1 Å²	88.1	43%	0.431	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-42.9	176.9	-71.6	173.2	0	0	0	111.6	F110 I111 I112 T117 S118	F110-I114 HydrophobicContact CD1-CD1 3.8Å; F110-I114 HydrophobicContact CE1-CD1 3.25Å; F110-I114 HydrophobicContact CE1-CG1 4.25Å; F110-I114 HydrophobicContact CE2-CD1 4.35Å; F110-I114 HydrophobicContact CZ-CD1 3.57Å; F110-I114 HydrophobicContact CZ-CG1 4.27Å; F110-I114 WeakPolarHBondContact O-CG1 3.37Å; F110-I114 PolarHBondContact O-N 3.15Å; I111-I114 PolarHBondContact O-N 3.4Å; I112-I114 PolarHBondContact O-N 2.85Å; I114-T117 WeakPolarHBondContact CA-OG1 3.3Å; I114-T117 PolarHBondContact O-N 3.31Å; I114-T117 PolarHBondContact O-OG1 3.31Å; I114-T117 VanDerWaalsContact O-OG1 3.04Å; I114-S118 WeakPolarHBondContact O-CB 3.19Å; I114-S118 PolarHBondContact O-N 3.42Å
115	I	89.4	Confident	88	Confident	93 Å²	93	88.3 Å²	88.3	48%	0.477	47%	0.467	S	S	.	.	H	α-helix	trans	-64.8	-44.5	178.5	-67.2	167.6	0	0	0	110	I111 I112 S118 I119	I111-I115 HydrophobicContact CG2-CD1 3.83Å; I111-I115 HydrophobicContact CG2-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CG1 3.21Å; I111-I115 PolarHBondContact O-N 2.87Å; I112-I115 PolarHBondContact O-N 2.79Å; I115-S118 PolarHBondContact O-N 3.04Å; I115-I119 HydrophobicContact CG2-CD1 4Å; I115-I119 WeakPolarHBondContact O-CG1 3.33Å; I115-I119 PolarHBondContact O-N 3.04Å; I115-I119 VanDerWaalsContact O-N 3.15Å
116	I	90.1	Very high	88.8	Confident	89 Å²	89	90.3 Å²	90.3	46%	0.456	48%	0.477	S	S	.	.	H	α-helix	trans	-62	-47.9	176.9	-69.5	171.5	0	0	0	110.2	I112 L113 S118 I119 L120	I112-I116 HydrophobicContact CG2-CD1 3.58Å; I112-I116 HydrophobicContact CG2-CG1 4.22Å; I112-I116 WeakPolarHBondContact O-CB 3.43Å; I112-I116 VanDerWaalsContact O-CG1 3.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.41Å; I112-I116 PolarHBondContact O-N 3.19Å; L113-I116 PolarHBondContact O-N 3.42Å; I116-S118 VanDerWaalsContact C-N 3.34Å; I116-S118 PolarHBondContact O-N 2.95Å; I116-I119 PolarHBondContact O-N 3.03Å; I116-L120 VanDerWaalsContact O-CB 3.22Å; I116-L120 WeakPolarHBondContact O-CB 3.22Å; I116-L120 PolarHBondContact O-N 3.48Å
117	T	88.6	Confident	89.4	Confident	74 Å²	74	89.5 Å²	89.5	45%	0.454	48%	0.478	S	S	.	.	H	α-helix	trans	-65.7	-36.9	179.7	53.9	0	0	0	0	112.2	L113 I114 I119 L120 L121	L113-T117 WeakPolarHBondContact O-CG2 3.47Å; L113-T117 PolarHBondContact O-N 3.43Å; L113-T117 PolarHBondContact O-OG1 2.9Å; L113-T117 VanDerWaalsContact O-OG1 3.04Å; I114-T117 WeakPolarHBondContact CA-OG1 3.3Å; I114-T117 PolarHBondContact O-N 3.31Å; I114-T117 PolarHBondContact O-OG1 3.31Å; I114-T117 VanDerWaalsContact O-OG1 3.04Å; T117-I119 PolarHBondContact O-N 3.33Å; T117-L120 PolarHBondContact O-N 3.01Å; T117-L121 VanDerWaalsContact O-CB 3.23Å; T117-L121 WeakPolarHBondContact O-CB 3.34Å; T117-L121 PolarHBondContact O-N 2.91Å
118	S	88.2	Confident	90.1	Very high	85 Å²	85	89.6 Å²	89.6	59%	0.594	48%	0.478	S	S	*	.	H	α-helix	trans	-64.1	-25.2	175.5	-174.1	0	0	0	0	113.4	I114 I115 I116 P122	I114-S118 WeakPolarHBondContact O-CB 3.19Å; I114-S118 PolarHBondContact O-N 3.42Å; I115-S118 PolarHBondContact O-N 3.04Å; I116-S118 VanDerWaalsContact C-N 3.34Å; I116-S118 PolarHBondContact O-N 2.95Å; S118-P122 WeakPolarHBondContact O-CD 3.4Å; S118-P122 VanDerWaalsContact O-CG 3.3Å; S118-P122 WeakPolarHBondContact O-CG 3.3Å
119	I	90.9	Very high	90.5	Very high	101 Å²	101	85.9 Å²	85.9	52%	0.518	47%	0.465	S	S	.	.	H	α-helix	trans	-94.6	-40.2	176.5	-64.5	168.7	0	0	0	111.3	I115 I116 T117 P122 L123	I115-I119 HydrophobicContact CG2-CD1 4Å; I115-I119 WeakPolarHBondContact O-CG1 3.33Å; I115-I119 PolarHBondContact O-N 3.04Å; I115-I119 VanDerWaalsContact O-N 3.15Å; I116-I119 PolarHBondContact O-N 3.03Å; T117-I119 PolarHBondContact O-N 3.33Å; I119-P122 WeakPolarHBondContact O-CD 3.49Å; I119-P122 WeakPolarHBondContact O-CG 3.25Å; I119-L123 HydrophobicContact CG2-CD1 3.99Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 2.9Å
120	L	92	Very high	90.9	Very high	93 Å²	93	85.6 Å²	85.6	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-71.2	-38	-175.2	-152.2	97.6	0	0	0	111.8	I116 T117 L123 I124	I116-L120 VanDerWaalsContact O-CB 3.22Å; I116-L120 WeakPolarHBondContact O-CB 3.22Å; I116-L120 PolarHBondContact O-N 3.48Å; T117-L120 PolarHBondContact O-N 3.01Å; L120-L123 PolarHBondContact O-N 3.28Å; L120-I124 HydrophobicContact CD2-CD1 3.68Å; L120-I124 HydrophobicContact CG-CD1 4.08Å; L120-I124 VanDerWaalsContact O-CG1 3.3Å; L120-I124 WeakPolarHBondContact O-CG1 3.29Å; L120-I124 PolarHBondContact O-N 3.31Å
121	L	90.9	Very high	91.1	Very high	112 Å²	112	85.5 Å²	85.5	59%	0.586	48%	0.475	S	S	*	.	H	α-helix	trans	-60.6	-51.2	-179.8	-170.4	71.8	0	0	0	112.7	T117 L123 I124 I125	T117-L121 VanDerWaalsContact O-CB 3.23Å; T117-L121 WeakPolarHBondContact O-CB 3.34Å; T117-L121 PolarHBondContact O-N 2.91Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 2.89Å; L121-I124 PolarHBondContact O-N 2.85Å; L121-I125 HydrophobicContact CG-CD1 4.17Å; L121-I125 VanDerWaalsContact O-CG1 3.32Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 3.22Å
122	P	92.1	Very high	91.2	Very high	60 Å²	60	86.7 Å²	86.7	39%	0.39	48%	0.481	S	S	.	.	H	α-helix	trans	-64.6	-34.1	176	22.4	-31.2	0	0	0	112.7	S118 I119 I125 I126	S118-P122 WeakPolarHBondContact O-CD 3.4Å; S118-P122 VanDerWaalsContact O-CG 3.3Å; S118-P122 WeakPolarHBondContact O-CG 3.3Å; I119-P122 WeakPolarHBondContact O-CD 3.49Å; I119-P122 WeakPolarHBondContact O-CG 3.25Å; P122-I125 PolarHBondContact O-N 3.44Å; P122-I126 WeakPolarHBondContact O-CB 3.23Å; P122-I126 VanDerWaalsContact O-CG1 3.25Å; P122-I126 WeakPolarHBondContact O-CG1 3.3Å; P122-I126 PolarHBondContact O-N 3.49Å
123	L	93.8	Very high	91.2	Very high	107 Å²	107	86.5 Å²	86.5	56%	0.56	48%	0.48	S	S	*	.	H	α-helix	trans	-64.8	-40.8	175.1	-74.2	172.9	0	0	0	112.6	I119 L120 L121 I126 G127	I119-L123 HydrophobicContact CG2-CD1 3.99Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 2.9Å; L120-L123 PolarHBondContact O-N 3.28Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 2.89Å; L123-I126 PolarHBondContact O-N 3.47Å; L123-G127 PolarHBondContact O-N 3.46Å
124	I	94	Very high	91.1	Very high	86 Å²	86	89.6 Å²	89.6	44%	0.441	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-43.4	174.4	-69.9	167	0	0	0	110.3	L120 L121 I126 G127 I128	L120-I124 HydrophobicContact CD2-CD1 3.68Å; L120-I124 HydrophobicContact CG-CD1 4.08Å; L120-I124 VanDerWaalsContact O-CG1 3.3Å; L120-I124 WeakPolarHBondContact O-CG1 3.29Å; L120-I124 PolarHBondContact O-N 3.31Å; L121-I124 PolarHBondContact O-N 2.85Å; I124-I126 PolarHBondContact O-N 2.89Å; I124-G127 PolarHBondContact O-N 3.26Å; I124-I128 HydrophobicContact CG2-CD1 3.79Å; I124-I128 HydrophobicContact CG2-CG1 4.36Å; I124-I128 VanDerWaalsContact O-CG1 3.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.31Å; I124-I128 PolarHBondContact O-N 2.86Å
125	I	93.6	Very high	90.7	Very high	85 Å²	85	87.6 Å²	87.6	44%	0.436	48%	0.483	S	S	.	.	H	α-helix	trans	-61.2	-45.2	177.2	-67.9	166.6	0	0	0	110.7	L121 P122 G127 I128 I129	L121-I125 HydrophobicContact CG-CD1 4.17Å; L121-I125 VanDerWaalsContact O-CG1 3.32Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 3.22Å; P122-I125 PolarHBondContact O-N 3.44Å; I125-G127 VanDerWaalsContact C-N 3.34Å; I125-G127 PolarHBondContact O-N 3.46Å; I125-I128 PolarHBondContact O-N 3.49Å; I125-I129 HydrophobicContact CG2-CD1 3.82Å; I125-I129 HydrophobicContact CG2-CG1 4.44Å; I125-I129 VanDerWaalsContact O-CG1 3.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.33Å; I125-I129 PolarHBondContact O-N 3.45Å
126	I	95	Very high	90	Very high	92 Å²	92	91.1 Å²	91.1	47%	0.472	49%	0.492	S	S	.	.	H	α-helix	trans	-60.4	-44.6	175.2	-69.7	164.6	0	0	0	110.6	P122 L123 I124 I128 I129 I130	P122-I126 WeakPolarHBondContact O-CB 3.23Å; P122-I126 VanDerWaalsContact O-CG1 3.25Å; P122-I126 WeakPolarHBondContact O-CG1 3.3Å; P122-I126 PolarHBondContact O-N 3.49Å; L123-I126 PolarHBondContact O-N 3.47Å; I124-I126 PolarHBondContact O-N 2.89Å; I126-I128 PolarHBondContact O-N 3.31Å; I126-I129 PolarHBondContact O-N 3.21Å; I126-I130 HydrophobicContact CG2-CD1 3.7Å; I126-I130 HydrophobicContact CG2-CG1 4.37Å; I126-I130 WeakPolarHBondContact O-CB 3.28Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.19Å; I126-I130 PolarHBondContact O-N 2.82Å
127	G	94.5	Very high	89	Confident	41 Å²	41	94.3 Å²	94.3	42%	0.423	50%	0.502	S	S	.	.	H	α-helix	trans	-60.1	-41.4	175.9	0	0	0	0	0	113.2	L123 I124 I125 G131	L123-G127 PolarHBondContact O-N 3.46Å; I124-G127 PolarHBondContact O-N 3.26Å; I125-G127 VanDerWaalsContact C-N 3.34Å; I125-G127 PolarHBondContact O-N 3.46Å; G127-G131 PolarHBondContact O-N 3.42Å
128	I	94.1	Very high	87.8	Confident	98 Å²	98	96.2 Å²	96.2	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-44.5	175.1	-69	167.9	0	0	0	110.7	I124 I125 I126 G131 I132	I124-I128 HydrophobicContact CG2-CD1 3.79Å; I124-I128 HydrophobicContact CG2-CG1 4.36Å; I124-I128 VanDerWaalsContact O-CG1 3.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.31Å; I124-I128 PolarHBondContact O-N 2.86Å; I125-I128 PolarHBondContact O-N 3.49Å; I126-I128 PolarHBondContact O-N 3.31Å; I128-G131 CarbonylContact O-C 3.57Å; I128-G131 PolarHBondContact O-N 2.87Å; I128-I132 HydrophobicContact CG2-CD1 3.75Å; I128-I132 HydrophobicContact CG2-CG1 4.33Å; I128-I132 VanDerWaalsContact O-CG1 3.28Å; I128-I132 WeakPolarHBondContact O-CG1 3.49Å; I128-I132 PolarHBondContact O-N 2.89Å
129	I	93.5	Very high	86.3	Confident	90 Å²	90	97 Å²	97	46%	0.462	51%	0.506	S	S	.	.	H	α-helix	trans	-61.9	-46.3	177.9	-69.3	167.9	0	0	0	110.7	I125 I126 G131 I132 I133	I125-I129 HydrophobicContact CG2-CD1 3.82Å; I125-I129 HydrophobicContact CG2-CG1 4.44Å; I125-I129 VanDerWaalsContact O-CG1 3.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.33Å; I125-I129 PolarHBondContact O-N 3.45Å; I126-I129 PolarHBondContact O-N 3.21Å; I129-G131 VanDerWaalsContact C-N 3.31Å; I129-G131 PolarHBondContact O-N 3.41Å; I129-I132 PolarHBondContact O-N 3.26Å; I129-I133 HydrophobicContact CG2-CD1 3.82Å; I129-I133 HydrophobicContact CG2-CG1 4.5Å; I129-I133 VanDerWaalsContact O-CG1 3.28Å; I129-I133 WeakPolarHBondContact O-CG1 3.3Å; I129-I133 PolarHBondContact O-N 2.79Å
130	I	93.3	Very high	84.1	Confident	103 Å²	103	96.3 Å²	96.3	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-61.3	-42.7	175.3	-67.6	168.6	0	0	0	110.2	I126 I132 I133 Y134	I126-I130 HydrophobicContact CG2-CD1 3.7Å; I126-I130 HydrophobicContact CG2-CG1 4.37Å; I126-I130 WeakPolarHBondContact O-CB 3.28Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.19Å; I126-I130 PolarHBondContact O-N 2.82Å; I130-I132 PolarHBondContact O-N 2.8Å; I130-I133 PolarHBondContact O-N 2.79Å; I130-Y134 WeakPolarHBondContact O-CB 3.28Å; I130-Y134 PolarHBondContact O-N 3.23Å
131	G	91	Very high	81.6	Confident	38 Å²	38	94.3 Å²	94.3	39%	0.392	50%	0.495	S	S	.	.	H	α-helix	trans	-60.1	-42.5	175.5	0	0	0	0	0	112.9	G127 I128 I129 Y134 A135	G127-G131 PolarHBondContact O-N 3.42Å; I128-G131 CarbonylContact O-C 3.57Å; I128-G131 PolarHBondContact O-N 2.87Å; I129-G131 VanDerWaalsContact C-N 3.31Å; I129-G131 PolarHBondContact O-N 3.41Å; G131-Y134 PolarHBondContact O-N 3.38Å; G131-A135 WeakPolarHBondContact O-CB 3.37Å; G131-A135 PolarHBondContact O-N 3.46Å
132	I	89.1	Confident	79	Confident	108 Å²	108	95.4 Å²	95.4	55%	0.554	50%	0.502	S	S	*	.	H	α-helix	trans	-65.8	-44.7	175.4	-69.3	166.5	0	0	0	110.5	I128 I129 I130 Y134 A135 Y136	I128-I132 HydrophobicContact CG2-CD1 3.75Å; I128-I132 HydrophobicContact CG2-CG1 4.33Å; I128-I132 VanDerWaalsContact O-CG1 3.28Å; I128-I132 WeakPolarHBondContact O-CG1 3.49Å; I128-I132 PolarHBondContact O-N 2.89Å; I129-I132 PolarHBondContact O-N 3.26Å; I130-I132 PolarHBondContact O-N 2.8Å; I132-Y134 VanDerWaalsContact C-N 3.32Å; I132-Y134 PolarHBondContact O-N 2.78Å; I132-A135 PolarHBondContact O-N 2.84Å; I132-Y136 VanDerWaalsContact O-CB 3.25Å; I132-Y136 WeakPolarHBondContact O-CB 3.31Å; I132-Y136 PolarHBondContact O-N 2.94Å
133	I	86.5	Confident	76.3	Confident	93 Å²	93	94.9 Å²	94.9	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-62	-42.3	176.6	-68.9	166	0	0	0	110.7	I129 I130 Y136 K137	I129-I133 HydrophobicContact CG2-CD1 3.82Å; I129-I133 HydrophobicContact CG2-CG1 4.5Å; I129-I133 VanDerWaalsContact O-CG1 3.28Å; I129-I133 WeakPolarHBondContact O-CG1 3.3Å; I129-I133 PolarHBondContact O-N 2.79Å; I130-I133 PolarHBondContact O-N 2.79Å; I133-Y136 PolarHBondContact O-N 3.32Å; I133-K137 WeakPolarHBondContact O-CB 3.25Å; I133-K137 PolarHBondContact O-N 2.85Å
134	Y	85.9	Confident	73.6	Confident	149 Å²	149	93.8 Å²	93.8	58%	0.584	50%	0.495	S	S	*	.	H	α-helix	trans	-70.6	-40.3	179.1	-157.6	-104.4	0	0	0	111.6	I130 G131 I132 Y136 K137 L138	I130-Y134 WeakPolarHBondContact O-CB 3.28Å; I130-Y134 PolarHBondContact O-N 3.23Å; G131-Y134 PolarHBondContact O-N 3.38Å; I132-Y134 VanDerWaalsContact C-N 3.32Å; I132-Y134 PolarHBondContact O-N 2.78Å; Y134-Y136 VanDerWaalsContact C-N 3.33Å; Y134-K137 PolarHBondContact O-N 3.43Å; Y134-L138 HydrophobicContact CD1-CD1 3.35Å; Y134-L138 HydrophobicContact CD1-CG 4.01Å; Y134-L138 HydrophobicContact CE1-CD1 3.38Å; Y134-L138 HydrophobicContact CE1-CD2 4.38Å; Y134-L138 HydrophobicContact CE1-CG 3.91Å; Y134-L138 HydrophobicContact CG-CD1 4.38Å; Y134-L138 VanDerWaalsContact O-CB 3.31Å; Y134-L138 WeakPolarHBondContact O-CB 3.45Å; Y134-L138 WeakPolarHBondContact O-CG 3.45Å; Y134-L138 PolarHBondContact O-N 3.09Å
135	A	78.6	Confident	71.4	Confident	42 Å²	42	96.7 Å²	96.7	35%	0.347	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-39.2	172.4	0	0	0	0	0	111.5	G131 I132 L138 N139	G131-A135 WeakPolarHBondContact O-CB 3.37Å; G131-A135 PolarHBondContact O-N 3.46Å; I132-A135 PolarHBondContact O-N 2.84Å; A135-L138 PolarHBondContact O-N 3.03Å; A135-N139 WeakPolarHBondContact O-CB 3.15Å; A135-N139 VanDerWaalsContact O-CG 3.27Å; A135-N139 PolarHBondContact O-N 3.33Å; A135-N139 PolarHBondContact O-ND2 3.46Å
136	Y	74.4	Confident	69.5	Low	168 Å²	168	93.9 Å²	93.9	66%	0.659	49%	0.49	S	S	*	.	H	α-helix	trans	-64.7	-45.7	174.3	-165.2	-99.3	0	0	0	110.8	I132 I133 Y134 N139 I140	I132-Y136 VanDerWaalsContact O-CB 3.25Å; I132-Y136 WeakPolarHBondContact O-CB 3.31Å; I132-Y136 PolarHBondContact O-N 2.94Å; I133-Y136 PolarHBondContact O-N 3.32Å; Y134-Y136 VanDerWaalsContact C-N 3.33Å; Y136-N139 PolarHBondContact O-N 3.09Å; Y136-I140 HydrophobicContact CD1-CD1 3.71Å; Y136-I140 HydrophobicContact CE1-CD1 3.58Å; Y136-I140 HydrophobicContact CE1-CG1 4.48Å; Y136-I140 WeakPolarHBondContact O-CD1 3.4Å; Y136-I140 VanDerWaalsContact O-CG1 3.26Å; Y136-I140 WeakPolarHBondContact O-CG1 3.11Å; Y136-I140 PolarHBondContact O-N 2.98Å; Y136-I140 VanDerWaalsContact O-N 3.09Å
137	K	68.9	Low	68	Low	156 Å²	156	95.5 Å²	95.5	68%	0.678	50%	0.499	S	S	*	.	H	α-helix	trans	-64.4	-36.8	174.7	-85.4	-172.2	174.4	-177.3	0	114	I133 Y134	I133-K137 WeakPolarHBondContact O-CB 3.25Å; I133-K137 PolarHBondContact O-N 2.85Å; Y134-K137 PolarHBondContact O-N 3.43Å
138	L	64.3	Low	67.3	Low	113 Å²	113	94.8 Å²	94.8	59%	0.592	49%	0.487	S	S	*	.	H	α-helix	trans	-74.6	-35.2	177.1	-81	166.8	0	0	0	112.4	Y134 A135	Y134-L138 HydrophobicContact CD1-CD1 3.35Å; Y134-L138 HydrophobicContact CD1-CG 4.01Å; Y134-L138 HydrophobicContact CE1-CD1 3.38Å; Y134-L138 HydrophobicContact CE1-CD2 4.38Å; Y134-L138 HydrophobicContact CE1-CG 3.91Å; Y134-L138 HydrophobicContact CG-CD1 4.38Å; Y134-L138 VanDerWaalsContact O-CB 3.31Å; Y134-L138 WeakPolarHBondContact O-CB 3.45Å; Y134-L138 WeakPolarHBondContact O-CG 3.45Å; Y134-L138 PolarHBondContact O-N 3.09Å; A135-L138 PolarHBondContact O-N 3.03Å
139	N	55.2	Low	66.7	Low	101 Å²	101	90.9 Å²	90.9	54%	0.54	47%	0.465	S	S	.	.	H	α-helix	trans	-80.1	-22.2	-178.1	-78.6	-30.2	0	0	0	113.3	A135 Y136 P141 R551	A135-N139 WeakPolarHBondContact O-CB 3.15Å; A135-N139 VanDerWaalsContact O-CG 3.27Å; A135-N139 PolarHBondContact O-N 3.33Å; A135-N139 PolarHBondContact O-ND2 3.46Å; Y136-N139 PolarHBondContact O-N 3.09Å; N139-P141 WeakPolarHBondContact O-CD 3.26Å; N139-R551 PolarHBondContact O-NH2 3.12Å; N139-R551 VanDerWaalsContact O-NH2 3.09Å
140	I	46.5	Very low	66.3	Low	88 Å²	88	87.5 Å²	87.5	45%	0.451	45%	0.447	S	S	.	.	S	Bend	trans	-71.3	107.4	163.3	-60.6	159.8	0	0	0	106	Y136 N142	Y136-I140 HydrophobicContact CD1-CD1 3.71Å; Y136-I140 HydrophobicContact CE1-CD1 3.58Å; Y136-I140 HydrophobicContact CE1-CG1 4.48Å; Y136-I140 WeakPolarHBondContact O-CD1 3.4Å; Y136-I140 VanDerWaalsContact O-CG1 3.26Å; Y136-I140 WeakPolarHBondContact O-CG1 3.11Å; Y136-I140 PolarHBondContact O-N 2.98Å; Y136-I140 VanDerWaalsContact O-N 3.09Å; I140-N142 PolarHBondContact O-N 2.73Å
141	P	38.1	Very low	65.7	Low	51 Å²	51	89.1 Å²	89.1	33%	0.331	45%	0.446	S	S	.	.			trans	-59.5	116.8	170.3	30.9	-34.3	0	0	0	105.7	N139 L143 R551	N139-P141 WeakPolarHBondContact O-CD 3.26Å; P141-L143 HydrophobicContact CB-CD2 4.46Å; P141-L143 HydrophobicContact CB-CG 4.01Å; P141-L143 HydrophobicContact CG-CD1 4.14Å; P141-L143 HydrophobicContact CG-CG 4Å; P141-L143 PolarHBondContact O-N 3.12Å; P141-R551 VanDerWaalsContact CG-NH1 3.26Å
142	N	37.2	Very low	65.2	Low	135 Å²	135	89.1 Å²	89.1	72%	0.722	44%	0.435	S	S	*	.			trans	-69.8	80.5	163.7	-148.1	11.2	0	0	0	104.5	I140 P144	I140-N142 PolarHBondContact O-N 2.73Å; N142-P144 WeakPolarHBondContact O-CD 2.87Å
143	L	35.9	Very low	65.1	Low	49 Å²	49	84.3 Å²	84.3	26%	0.257	41%	0.41	S	S	.	.			trans	-59.4	116.6	-178.2	-81.4	160.6	0	0	0	105	P141 Y145 Y515 N520	P141-L143 HydrophobicContact CB-CD2 4.46Å; P141-L143 HydrophobicContact CB-CG 4.01Å; P141-L143 HydrophobicContact CG-CD1 4.14Å; P141-L143 HydrophobicContact CG-CG 4Å; P141-L143 PolarHBondContact O-N 3.12Å; L143-Y145 PolarHBondContact O-N 3.07Å; L143-Y515 WeakPolarHBondContact CD1-O 3.27Å; L143-N520 HydrophobicContact CD2-CB 3.96Å
144	P	35.9	Very low	65.2	Low	83 Å²	83	80 Å²	80	54%	0.539	39%	0.388	S	S	.	.			trans	-54.6	120.2	-173.9	21	-31.4	0	0	0	107	N142 A146 N520	N142-P144 WeakPolarHBondContact O-CD 2.87Å; P144-A146 PolarHBondContact O-N 2.75Å; P144-N520 PolarHBondContact O-ND2 2.98Å; P144-N520 PolarHBondContact O-OD1 3.41Å
145	Y	48.2	Very low	65.6	Low	148 Å²	148	73 Å²	73	58%	0.58	36%	0.36	S	S	*	.			trans	-42.4	131.3	176.5	-63.6	-86.6	0	0	0	108.8	L143 I147	L143-Y145 PolarHBondContact O-N 3.07Å; Y145-I147 PolarHBondContact O-N 3.22Å
146	A	54.1	Low	66.4	Low	25 Å²	25	71 Å²	71	21%	0.207	34%	0.344	C	S	.	.			trans	-73.2	77.2	173.5	0	0	0	0	0	107.6	P144 P148 R151 R152	P144-A146 PolarHBondContact O-N 2.75Å; A146-P148 CarbonylContact O-C 3.58Å; A146-P148 VanDerWaalsContact O-C 3.31Å; A146-R151 HydrophobicContact CB-CB 3.97Å; A146-R152 HydrophobicContact CB-CB 3.48Å; A146-R152 VanDerWaalsContact CB-CB 3.48Å
147	I	63.7	Low	67.5	Low	126 Å²	126	63.8 Å²	63.8	65%	0.646	32%	0.317	S	S	*	.	S	Bend	trans	-94	131.6	168.8	-59.1	171.8	0	0	0	105.9	Y145 R151	Y145-I147 PolarHBondContact O-N 3.22Å; I147-R151 PolarHBondContact O-NH1 3.3Å
148	P	78.3	Confident	68.8	Low	26 Å²	26	56.4 Å²	56.4	17%	0.169	28%	0.284	C	S	.	.	S	Bend	cis	-74.9	163.9	-2.9	31.1	-38.4	0	0	0	114.3	A146 W150 R151	A146-P148 CarbonylContact O-C 3.58Å; A146-P148 VanDerWaalsContact O-C 3.31Å; P148-W150 HydrophobicContact CB-CZ2 4.41Å; P148-W150 HydrophobicContact CG-CD2 3.81Å; P148-W150 HydrophobicContact CG-CE3 4.49Å; P148-W150 HydrophobicContact CG-CG 4.3Å; P148-W150 HydrophobicContact CG-CH2 3.97Å; P148-W150 HydrophobicContact CG-CZ2 3.19Å; P148-W150 PolarHBondContact O-N 3.37Å; P148-R151 HydrophobicContact CG-CG 4.45Å; P148-R151 WeakPolarHBondContact O-CB 3.06Å; P148-R151 PolarHBondContact O-N 3.47Å
149	W	82.4	Confident	70.3	Confident	16 Å²	16	51.5 Å²	51.5	6%	0.061	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-47.7	-35.7	-171.8	69.3	-91.1	0	0	0	114.9	R151 R152 T153 S192 T249 M251 K344 E373 I375	W149-R151 PolarHBondContact O-N 2.72Å; W149-R152 CarbonylContact O-C 3.21Å; W149-R152 PolarHBondContact O-N 2.8Å; W149-T153 HydrophobicContact CE3-CG2 3.89Å; W149-T153 HydrophobicContact CZ3-CG2 3.76Å; W149-S192 WeakPolarHBondContact CZ3-OG 3.26Å; W149-T249 HydrophobicContact CD2-CG2 3.99Å; W149-T249 HydrophobicContact CE3-CG2 4.1Å; W149-T249 HydrophobicContact CH2-CG2 3.72Å; W149-T249 HydrophobicContact CZ2-CG2 3.59Å; W149-T249 HydrophobicContact CZ3-CG2 3.97Å; W149-M251 HydrophobicContact CH2-CG 4.27Å; W149-M251 HydrophobicContact CH2-SD 3.84Å; W149-M251 HydrophobicContact CZ3-SD 4.48Å; W149-K344 HydrophobicContact CZ2-CB 4.08Å; W149-E373 PolarHBondContact NE1-O 3.17Å; W149-I375 HydrophobicContact CH2-CD1 3.69Å; W149-I375 HydrophobicContact CH2-CG1 3.87Å; W149-I375 HydrophobicContact CZ2-CD1 4.06Å; W149-I375 HydrophobicContact CZ2-CG1 3.78Å; W149-I375 HydrophobicContact CZ3-CD1 4.46Å
150	W	85	Confident	72.2	Confident	20 Å²	20	46.8 Å²	46.8	8%	0.076	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-71.5	-13	-176.3	50.1	-105.3	0	0	0	114.1	P148 R152 D372 I375 K392 V393 S456	P148-W150 HydrophobicContact CB-CZ2 4.41Å; P148-W150 HydrophobicContact CG-CD2 3.81Å; P148-W150 HydrophobicContact CG-CE3 4.49Å; P148-W150 HydrophobicContact CG-CG 4.3Å; P148-W150 HydrophobicContact CG-CH2 3.97Å; P148-W150 HydrophobicContact CG-CZ2 3.19Å; P148-W150 PolarHBondContact O-N 3.37Å; W150-R152 PolarHBondContact O-N 3.26Å; W150-D372 PolarHBondContact NE1-O 2.89Å; W150-I375 HydrophobicContact CB-CD1 3.78Å; W150-I375 HydrophobicContact CB-CG1 4.37Å; W150-I375 HydrophobicContact CB-CG2 3.88Å; W150-I375 HydrophobicContact CD2-CG2 3.84Å; W150-I375 HydrophobicContact CG-CG2 3.4Å; W150-I375 VanDerWaalsContact CG-CG2 3.4Å; W150-K392 HydrophobicContact CH2-CB 3.72Å; W150-K392 HydrophobicContact CH2-CG 4.2Å; W150-K392 HydrophobicContact CZ2-CB 3.66Å; W150-K392 HydrophobicContact CZ2-CD 3.82Å; W150-K392 HydrophobicContact CZ2-CG 3.83Å; W150-K392 HydrophobicContact CZ3-CB 4.17Å; W150-K392 VanDerWaalsContact CZ3-O 3.25Å; W150-K392 WeakPolarHBondContact CZ3-O 3.33Å; W150-V393 HydrophobicContact CB-CG1 4.35Å; W150-V393 HydrophobicContact CD2-CG1 4.15Å; W150-V393 HydrophobicContact CE3-CG1 3.73Å; W150-V393 HydrophobicContact CG-CG1 4.46Å; W150-V393 HydrophobicContact CZ3-CG1 4.38Å; W150-S456 PolarHBondContact O-OG 3.14Å
151	R	81.1	Confident	74.6	Confident	136 Å²	136	45 Å²	45	51%	0.513	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-70	-22.8	174.4	-74.4	-171.5	169.4	176.3	-4.3	113	A146 I147 P148 W149 G455	A146-R151 HydrophobicContact CB-CB 3.97Å; I147-R151 PolarHBondContact O-NH1 3.3Å; P148-R151 HydrophobicContact CG-CG 4.45Å; P148-R151 WeakPolarHBondContact O-CB 3.06Å; P148-R151 PolarHBondContact O-N 3.47Å; W149-R151 PolarHBondContact O-N 2.72Å; R151-G455 CarbonylContact O-C 3.55Å; R151-G455 VanDerWaalsContact O-CA 3.26Å; R151-G455 WeakPolarHBondContact O-CA 2.88Å
152	R	80.6	Confident	77.3	Confident	39 Å²	39	43.2 Å²	43.2	15%	0.147	21%	0.212	C	C	.	.	S	Bend	trans	-154.8	90.4	176.3	-175.2	60.2	175	171.2	5.3	110	A146 W149 W150 Y451 L453 G455	A146-R152 HydrophobicContact CB-CB 3.48Å; A146-R152 VanDerWaalsContact CB-CB 3.48Å; W149-R152 CarbonylContact O-C 3.21Å; W149-R152 PolarHBondContact O-N 2.8Å; W150-R152 PolarHBondContact O-N 3.26Å; R152-Y451 PolarHBondContact NH1-O 2.78Å; R152-Y451 PolarHBondContact NH2-O 3.23Å; R152-L453 PolarHBondContact NH1-O 2.62Å; R152-G455 WeakPolarHBondContact CD-O 3.24Å; R152-G455 PolarHBondContact NH1-O 3.31Å
153	T	85.6	Confident	80.1	Confident	6 Å²	6	37 Å²	37	4%	0.037	18%	0.178	C	C	.	.			trans	-135.8	148	175.2	177	0	0	0	0	111.6	W149 I155 T191 S192 S456 Y457	W149-T153 HydrophobicContact CE3-CG2 3.89Å; W149-T153 HydrophobicContact CZ3-CG2 3.76Å; T153-I155 HydrophobicContact CG2-CD1 4.13Å; T153-I155 HydrophobicContact CG2-CG1 3.65Å; T153-T191 WeakPolarHBondContact CA-OG1 2.97Å; T153-T191 WeakPolarHBondContact CB-OG1 3.21Å; T153-T191 PolarHBondContact OG1-OG1 2.75Å; T153-S192 WeakPolarHBondContact OG1-CB 3.26Å; T153-S192 PolarHBondContact OG1-OG 2.77Å; T153-S456 WeakPolarHBondContact CG2-OG 3.07Å; T153-S456 PolarHBondContact N-OG 3.09Å; T153-S456 VanDerWaalsContact O-CA 3.26Å; T153-S456 WeakPolarHBondContact O-CA 3.06Å; T153-S456 VanDerWaalsContact O-CB 3.25Å; T153-S456 WeakPolarHBondContact O-CB 3.28Å; T153-Y457 PolarHBondContact O-N 3.24Å
154	Q	88.6	Confident	82.9	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.019	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	105.4	159.2	-180	61.8	49.4	0	0	108.1	I188 G189 T191 S192 Y451 Y457	Q154-I188 HydrophobicContact CG-CG2 4.44Å; Q154-G189 WeakPolarHBondContact CB-O 3.44Å; Q154-T191 PolarHBondContact N-OG1 2.93Å; Q154-T191 PolarHBondContact O-N 3.37Å; Q154-S192 PolarHBondContact O-N 3.45Å; Q154-Y451 HydrophobicContact CB-CE2 4.46Å; Q154-Y457 VanDerWaalsContact NE2-CD1 3.29Å; Q154-Y457 PolarHBondContact NE2-O 3.03Å
155	I	94.7	Very high	85.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.8	172.2	-48.8	175.2	0	0	0	107.5	T153 S192 L194 M251 I430 Y457 L458 M459	T153-I155 HydrophobicContact CG2-CD1 4.13Å; T153-I155 HydrophobicContact CG2-CG1 3.65Å; I155-S192 WeakPolarHBondContact CA-O 3.26Å; I155-L194 HydrophobicContact CG2-CB 3.85Å; I155-M251 HydrophobicContact CD1-SD 4.2Å; I155-M251 HydrophobicContact CG2-SD 4.39Å; I155-I430 HydrophobicContact CD1-CD1 4.21Å; I155-I430 HydrophobicContact CD1-CG2 4.25Å; I155-Y457 PolarHBondContact N-O 2.61Å; I155-L458 HydrophobicContact CB-CD1 3.76Å; I155-L458 HydrophobicContact CG2-CD1 3.52Å; I155-L458 WeakPolarHBondContact O-CA 3.46Å; I155-M459 PolarHBondContact O-N 3.25Å
156	Y	95.6	Very high	87.7	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.8	173.7	-169.4	-94.6	0	0	0	109.3	I158 W163 L184 I188 S192 I193 L194 M459 A461 E464	Y156-I158 HydrophobicContact CD1-CD1 4.04Å; Y156-I158 HydrophobicContact CD1-CG1 3.57Å; Y156-I158 HydrophobicContact CE1-CD1 4.29Å; Y156-I158 HydrophobicContact CE1-CG1 3.75Å; Y156-W163 HydrophobicContact CE1-CZ2 4.14Å; Y156-W163 AromaticContact CE1-NE1 3.75Å; Y156-W163 PolarHBondContact OH-NE1 3.18Å; Y156-L184 HydrophobicContact CD1-CD2 3.35Å; Y156-L184 HydrophobicContact CE1-CD2 3.46Å; Y156-L184 VanDerWaalsContact CE1-CD2 3.46Å; Y156-L184 HydrophobicContact CG-CD2 3.95Å; Y156-I188 HydrophobicContact CD2-CG2 3.81Å; Y156-I188 HydrophobicContact CE2-CD1 4.45Å; Y156-I188 HydrophobicContact CE2-CG1 4.23Å; Y156-I188 HydrophobicContact CE2-CG2 4.25Å; Y156-S192 PolarHBondContact N-O 3.07Å; Y156-I193 WeakPolarHBondContact O-CA 3.33Å; Y156-L194 PolarHBondContact O-N 3.06Å; Y156-M459 WeakPolarHBondContact CA-O 3.41Å; Y156-M459 HydrophobicContact CD2-CB 4.31Å; Y156-M459 HydrophobicContact CD2-CE 4Å; Y156-M459 HydrophobicContact CD2-CG 4.23Å; Y156-M459 HydrophobicContact CE2-CE 4.31Å; Y156-M459 HydrophobicContact CE2-CG 4.34Å; Y156-A461 HydrophobicContact CE1-CB 3.73Å; Y156-A461 WeakPolarHBondContact OH-CA 3.35Å; Y156-A461 WeakPolarHBondContact OH-CB 3.21Å; Y156-E464 PolarHBondContact OH-OE1 2.87Å; Y156-E464 PolarHBondContact OH-OE2 3.23Å
157	Q	96.9	Very high	89.3	Confident	18 Å²	18	31.5 Å²	31.5	8%	0.084	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.4	-178.8	-178.8	179.9	-31.8	0	0	110.5	L194 T196 L458 M459 L460 A461	Q157-L194 CarbonylContact C-O 3.52Å; Q157-L194 WeakPolarHBondContact CA-O 3.29Å; Q157-L194 HydrophobicContact CB-CB 4.34Å; Q157-L194 HydrophobicContact CB-CD2 4.21Å; Q157-L194 HydrophobicContact CB-CG 4.48Å; Q157-L194 HydrophobicContact CG-CD2 4.02Å; Q157-L194 HydrophobicContact CG-CG 4.17Å; Q157-T196 HydrophobicContact CG-CG2 4.05Å; Q157-L458 HydrophobicContact CB-CD1 4.09Å; Q157-M459 PolarHBondContact N-O 3.21Å; Q157-L460 HydrophobicContact CB-CD2 3.92Å; Q157-L460 HydrophobicContact CG-CD2 4.22Å; Q157-A461 VanDerWaalsContact O-CB 3.23Å; Q157-A461 WeakPolarHBondContact O-CB 3.17Å; Q157-A461 PolarHBondContact O-N 3.35Å
158	I	96.7	Very high	90.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.1	-179.9	-61.3	179.5	0	0	0	108.3	Y156 I160 W163 L184 I193 L194 F195 T196	Y156-I158 HydrophobicContact CD1-CD1 4.04Å; Y156-I158 HydrophobicContact CD1-CG1 3.57Å; Y156-I158 HydrophobicContact CE1-CD1 4.29Å; Y156-I158 HydrophobicContact CE1-CG1 3.75Å; I158-I160 HydrophobicContact CG2-CG1 4.35Å; I158-I160 PolarHBondContact O-N 3.34Å; I158-W163 HydrophobicContact CD1-CD2 4.31Å; I158-W163 HydrophobicContact CD1-CE3 4.29Å; I158-W163 HydrophobicContact CD1-CH2 3.91Å; I158-W163 HydrophobicContact CD1-CZ2 3.96Å; I158-W163 HydrophobicContact CD1-CZ3 4.1Å; I158-W163 HydrophobicContact CG1-CD2 4.37Å; I158-W163 HydrophobicContact CG1-CZ2 4.46Å; I158-W163 HydrophobicContact CG2-CB 3.74Å; I158-W163 HydrophobicContact CG2-CD2 3.67Å; I158-W163 HydrophobicContact CG2-CE3 3.81Å; I158-W163 HydrophobicContact CG2-CG 3.68Å; I158-L184 HydrophobicContact CD1-CD1 3.81Å; I158-L184 HydrophobicContact CD1-CD2 4.36Å; I158-I193 HydrophobicContact CD1-CG2 3.68Å; I158-I193 HydrophobicContact CG1-CG2 4.19Å; I158-L194 PolarHBondContact N-O 2.77Å; I158-F195 HydrophobicContact CB-CD1 4.17Å; I158-F195 HydrophobicContact CD1-CE1 4.17Å; I158-F195 HydrophobicContact CG2-CD1 4.44Å; I158-T196 PolarHBondContact O-N 3.06Å; I158-T196 PolarHBondContact O-OG1 3.03Å
159	N	96	Very high	90.5	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.059	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	108.2	160.2	-176.3	-4.8	0	0	0	108.9	E161 T162 W163 T196 N197 N471	N159-E161 VanDerWaalsContact C-N 3.27Å; N159-E161 PolarHBondContact O-N 2.98Å; N159-E161 PolarHBondContact OD1-N 3.01Å; N159-T162 WeakPolarHBondContact CB-OG1 3.34Å; N159-T162 PolarHBondContact O-N 3.42Å; N159-T162 VanDerWaalsContact O-N 3.13Å; N159-T162 PolarHBondContact O-OG1 2.81Å; N159-W163 WeakPolarHBondContact O-CB 3.5Å; N159-W163 PolarHBondContact O-N 2.85Å; N159-T196 VanDerWaalsContact CA-OG1 3.24Å; N159-T196 WeakPolarHBondContact CA-OG1 3.46Å; N159-T196 WeakPolarHBondContact CB-OG1 3.21Å; N159-N197 PolarHBondContact ND2-ND2 2.75Å; N159-N197 WeakPolarHBondContact OD1-CB 3.27Å; N159-N197 PolarHBondContact OD1-ND2 3.36Å; N159-N197 VanDerWaalsContact OD1-ND2 3.17Å; N159-N471 PolarHBondContact ND2-O 3.44Å
160	I	96.3	Very high	91	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-37.7	-169.2	-56.5	172.5	0	0	0	111.6	I158 T162 G172 L174 I177 F195 T196 L198 I216	I158-I160 HydrophobicContact CG2-CG1 4.35Å; I158-I160 PolarHBondContact O-N 3.34Å; I160-T162 PolarHBondContact O-N 2.8Å; I160-G172 CarbonylContact O-C 3.54Å; I160-G172 WeakPolarHBondContact O-CA 3.41Å; I160-L174 HydrophobicContact CD1-CD1 3.79Å; I160-L174 HydrophobicContact CG2-CB 4.47Å; I160-I177 HydrophobicContact CD1-CD1 4.17Å; I160-I177 HydrophobicContact CG1-CD1 3.94Å; I160-I177 HydrophobicContact CG2-CD1 4.16Å; I160-F195 HydrophobicContact CD1-CB 4.11Å; I160-F195 HydrophobicContact CD1-CD1 4.13Å; I160-F195 HydrophobicContact CD1-CG 4.28Å; I160-F195 HydrophobicContact CG1-CD1 4.16Å; I160-T196 PolarHBondContact N-O 2.86Å; I160-L198 HydrophobicContact CD1-CB 3.87Å; I160-L198 HydrophobicContact CD1-CD1 3.81Å; I160-L198 HydrophobicContact CD1-CG 4.43Å; I160-I216 HydrophobicContact CB-CD1 4.05Å; I160-I216 HydrophobicContact CB-CG2 4.21Å; I160-I216 HydrophobicContact CD1-CD1 3.79Å; I160-I216 HydrophobicContact CG2-CB 3.81Å; I160-I216 HydrophobicContact CG2-CD1 3.72Å; I160-I216 HydrophobicContact CG2-CG1 4.34Å; I160-I216 HydrophobicContact CG2-CG2 3.79Å
161	E	95	Very high	91.4	Very high	51 Å²	51	42.7 Å²	42.7	24%	0.238	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-22.6	-179	-68.9	177.9	155.6	0	0	113.5	N159 I171 G172 N197 N213 I216	N159-E161 VanDerWaalsContact C-N 3.27Å; N159-E161 PolarHBondContact O-N 2.98Å; N159-E161 PolarHBondContact OD1-N 3.01Å; E161-I171 HydrophobicContact CB-CG2 4.1Å; E161-I171 HydrophobicContact CG-CG2 4.18Å; E161-I171 CarbonylContact O-C 3.56Å; E161-G172 PolarHBondContact O-N 3.4Å; E161-N197 HydrophobicContact CG-CB 4.1Å; E161-N197 PolarHBondContact OE2-ND2 3Å; E161-N213 PolarHBondContact OE1-ND2 3.03Å; E161-I216 HydrophobicContact CB-CG2 4.35Å; E161-I216 HydrophobicContact CG-CG2 3.48Å; E161-I216 VanDerWaalsContact CG-CG2 3.48Å
162	T	95.3	Very high	92	Very high	13 Å²	13	36.2 Å²	36.2	8%	0.08	20%	0.198	C	C	.	.	H	α-helix	trans	-121.8	4.6	-173.1	61.5	0	0	0	0	112.7	N159 I160 G470 L474 I475	N159-T162 WeakPolarHBondContact CB-OG1 3.34Å; N159-T162 PolarHBondContact O-N 3.42Å; N159-T162 VanDerWaalsContact O-N 3.13Å; N159-T162 PolarHBondContact O-OG1 2.81Å; I160-T162 PolarHBondContact O-N 2.8Å; T162-G470 WeakPolarHBondContact CB-O 3.39Å; T162-G470 PolarHBondContact OG1-O 3.04Å; T162-L474 CarbonylContact O-C 3.53Å; T162-L474 VanDerWaalsContact O-CA 3.26Å; T162-L474 WeakPolarHBondContact O-CA 3.47Å; T162-I475 PolarHBondContact O-N 2.98Å
163	W	95.8	Very high	92.7	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-91	-55.8	-172.8	-169.2	61.1	0	0	0	114.4	Y156 I158 N159 I177 R180 Y183 L184 A461 W477	Y156-W163 HydrophobicContact CE1-CZ2 4.14Å; Y156-W163 AromaticContact CE1-NE1 3.75Å; Y156-W163 PolarHBondContact OH-NE1 3.18Å; I158-W163 HydrophobicContact CD1-CD2 4.31Å; I158-W163 HydrophobicContact CD1-CE3 4.29Å; I158-W163 HydrophobicContact CD1-CH2 3.91Å; I158-W163 HydrophobicContact CD1-CZ2 3.96Å; I158-W163 HydrophobicContact CD1-CZ3 4.1Å; I158-W163 HydrophobicContact CG1-CD2 4.37Å; I158-W163 HydrophobicContact CG1-CZ2 4.46Å; I158-W163 HydrophobicContact CG2-CB 3.74Å; I158-W163 HydrophobicContact CG2-CD2 3.67Å; I158-W163 HydrophobicContact CG2-CE3 3.81Å; I158-W163 HydrophobicContact CG2-CG 3.68Å; N159-W163 WeakPolarHBondContact O-CB 3.5Å; N159-W163 PolarHBondContact O-N 2.85Å; W163-I177 HydrophobicContact CE3-CG1 4.2Å; W163-I177 HydrophobicContact CZ3-CB 4.36Å; W163-I177 HydrophobicContact CZ3-CG1 4.06Å; W163-I177 HydrophobicContact CZ3-CG2 4.46Å; W163-R180 HydrophobicContact CH2-CB 3.45Å; W163-R180 VanDerWaalsContact CH2-CB 3.45Å; W163-R180 HydrophobicContact CH2-CG 4.28Å; W163-R180 HydrophobicContact CZ2-CB 4.43Å; W163-R180 HydrophobicContact CZ3-CB 3.82Å; W163-R180 HydrophobicContact CZ3-CG 4.43Å; W163-Y183 HydrophobicContact CZ2-CD1 4.33Å; W163-Y183 HydrophobicContact CZ2-CE1 4.49Å; W163-L184 HydrophobicContact CH2-CD1 4.22Å; W163-L184 HydrophobicContact CH2-CD2 4.23Å; W163-L184 HydrophobicContact CH2-CG 4.24Å; W163-L184 HydrophobicContact CZ2-CD2 3.81Å; W163-L184 HydrophobicContact CZ2-CG 4.31Å; W163-A461 VanDerWaalsContact CD1-CB 3.43Å; W163-W477 HydrophobicContact CD2-CZ2 4.06Å; W163-W477 AromaticContact CE2-CH2 3.93Å; W163-W477 AromaticContact CE2-CZ2 3.54Å; W163-W477 HydrophobicContact CG-CZ2 4.47Å; W163-W477 HydrophobicContact CH2-CH2 4.36Å; W163-W477 HydrophobicContact CH2-CZ2 4.44Å; W163-W477 AromaticContact CZ2-CH2 3.69Å; W163-W477 HydrophobicContact CZ2-CH2 3.69Å; W163-W477 AromaticContact CZ2-CZ2 3.76Å; W163-W477 HydrophobicContact CZ2-CZ2 3.76Å; W163-W477 AromaticContact NE1-CZ2 3.6Å; W163-W477 PolarHBondContact O-NE1 3.18Å
164	A	95.2	Very high	93.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	20%	0.198	C	C	.	.			trans	-155.2	140.4	-176.6	0	0	0	0	0	113.5	G172 R173 D176 R180 W477	A164-G172 CarbonylContact O-C 3.54Å; A164-G172 WeakPolarHBondContact O-CA 3.2Å; A164-R173 PolarHBondContact O-N 2.88Å; A164-D176 HydrophobicContact CB-CB 4.31Å; A164-R180 VanDerWaalsContact CB-NE 3.34Å; A164-W477 HydrophobicContact CB-CZ2 4.4Å
165	N	94.4	Very high	93.5	Very high	30 Å²	30	40.1 Å²	40.1	16%	0.16	22%	0.215	C	C	.	.			trans	-139.1	116.7	172.1	-171.1	-42.9	0	0	0	110.6	V167 Q168 G169 I171 D176 L474	N165-V167 WeakPolarHBondContact OD1-CA 3.36Å; N165-V167 PolarHBondContact OD1-N 3.46Å; N165-Q168 PolarHBondContact OD1-N 2.88Å; N165-G169 VanDerWaalsContact CG-N 3.33Å; N165-G169 WeakPolarHBondContact ND2-CA 3.31Å; N165-G169 PolarHBondContact ND2-N 3.12Å; N165-G169 PolarHBondContact OD1-N 3.27Å; N165-I171 PolarHBondContact ND2-O 3.37Å; N165-D176 WeakPolarHBondContact CA-OD2 3.47Å; N165-L474 HydrophobicContact CB-CD1 4.5Å; N165-L474 HydrophobicContact CB-CD2 4.02Å
166	D	90.3	Very high	93.6	Very high	59 Å²	59	40.5 Å²	40.5	32%	0.316	22%	0.217	S	C	.	.	S	Bend	trans	-89.4	-8.6	179.1	-76.7	-24.9	0	0	0	114.6	D176 R180 Y485	D166-D176 PolarHBondContact N-OD2 2.92Å; D166-R180 VanDerWaalsContact CG-NH1 3.33Å; D166-R180 IonicContact OD1-CZ 3.28Å; D166-R180 IonicContact OD1-NH1 2.96Å; D166-R180 PolarHBondContact OD1-NH1 3.37Å; D166-R180 IonicContact OD1-NH2 3.69Å; D166-R180 PolarHBondContact OD1-NH2 2.88Å; D166-R180 IonicContact OD2-CZ 3.95Å; D166-R180 IonicContact OD2-NH1 2.74Å; D166-R180 PolarHBondContact OD2-NH1 2.81Å; D166-R180 IonicContact OD2-NH2 2.77Å; D166-Y485 PolarHBondContact OD2-OH 3.18Å
167	V	88.8	Confident	93.6	Very high	99 Å²	99	40.5 Å²	40.5	60%	0.6	22%	0.217	S	C	*	.	S	Bend	trans	-108.8	23	-177.1	177.7	0	0	0	0	111.7	N165 G169 R173	N165-V167 WeakPolarHBondContact OD1-CA 3.36Å; N165-V167 PolarHBondContact OD1-N 3.46Å; V167-G169 VanDerWaalsContact C-N 3.26Å; V167-G169 PolarHBondContact O-N 3.02Å; V167-R173 VanDerWaalsContact CG2-CZ 3.46Å; V167-R173 VanDerWaalsContact CG2-NH1 3.3Å; V167-R173 VanDerWaalsContact CG2-NH2 3.28Å
168	Q	79.4	Confident	93.5	Very high	195 Å²	195	40.8 Å²	40.8	91%	0.911	22%	0.219	S	C	*	.	S	Bend	trans	58.9	30.2	176.6	-55.1	-178.9	-3.2	0	0	114.5	N165	N165-Q168 PolarHBondContact OD1-N 2.88Å
169	G	87.9	Confident	93.4	Very high	33 Å²	33	42.3 Å²	42.3	34%	0.34	23%	0.229	S	C	.	.			trans	-84.3	169.2	169.9	0	0	0	0	0	113.1	N165 V167 L474	N165-G169 VanDerWaalsContact CG-N 3.33Å; N165-G169 WeakPolarHBondContact ND2-CA 3.31Å; N165-G169 PolarHBondContact ND2-N 3.12Å; N165-G169 PolarHBondContact OD1-N 3.27Å; V167-G169 VanDerWaalsContact C-N 3.26Å; V167-G169 PolarHBondContact O-N 3.02Å; G169-L474 WeakPolarHBondContact O-CD2 3.31Å
170	T	91.1	Very high	93.3	Very high	128 Å²	128	41.9 Å²	41.9	79%	0.785	23%	0.227	S	C	*	.	S	Bend	trans	-85.9	-14.4	179.7	51.7	0	0	0	0	114
171	I	93.5	Very high	93.2	Very high	67 Å²	67	41.8 Å²	41.8	34%	0.344	23%	0.226	S	C	.	.	S	Bend	trans	-120.7	136.2	-176.5	-58.3	172	0	0	0	108.2	E161 N165 I216	E161-I171 HydrophobicContact CB-CG2 4.1Å; E161-I171 HydrophobicContact CG-CG2 4.18Å; E161-I171 CarbonylContact O-C 3.56Å; N165-I171 PolarHBondContact ND2-O 3.37Å; I171-I216 HydrophobicContact CG2-CG2 4.4Å
172	G	95	Very high	93.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.			trans	-65.8	154.4	176.7	0	0	0	0	0	112.9	I160 E161 A164 I216	I160-G172 CarbonylContact O-C 3.54Å; I160-G172 WeakPolarHBondContact O-CA 3.41Å; E161-G172 PolarHBondContact O-N 3.4Å; A164-G172 CarbonylContact O-C 3.54Å; A164-G172 WeakPolarHBondContact O-CA 3.2Å; G172-I216 WeakPolarHBondContact O-CG2 2.91Å
173	R	95.1	Very high	93	Very high	50 Å²	50	40.6 Å²	40.6	19%	0.189	22%	0.221	C	C	.	.			trans	-118.3	142.9	-173.8	-54.7	-175.7	-58.4	159.9	7.1	111.5	A164 V167 Q175 D176 I216	A164-R173 PolarHBondContact O-N 2.88Å; V167-R173 VanDerWaalsContact CG2-CZ 3.46Å; V167-R173 VanDerWaalsContact CG2-NH1 3.3Å; V167-R173 VanDerWaalsContact CG2-NH2 3.28Å; R173-Q175 PolarHBondContact O-N 3.39Å; R173-D176 WeakPolarHBondContact CB-OD2 3.28Å; R173-D176 IonicContact CZ-OD1 3.41Å; R173-D176 IonicContact CZ-OD2 3.72Å; R173-D176 IonicContact NE-OD1 2.72Å; R173-D176 IonicContact NE-OD2 3.59Å; R173-D176 PolarHBondContact NE-OD2 3.47Å; R173-D176 IonicContact NH2-OD1 3.59Å; R173-D176 PolarHBondContact NH2-OD1 3.35Å; R173-D176 IonicContact NH2-OD2 3.58Å; R173-D176 PolarHBondContact NH2-OD2 3.47Å; R173-D176 PolarHBondContact O-N 2.99Å; R173-I216 WeakPolarHBondContact CA-O 3.34Å
174	L	95.7	Very high	92.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.4	-36.7	177.5	-175	66.9	0	0	0	111.9	I160 D176 I177 L198 I212 I216 I226 L227 I230	I160-L174 HydrophobicContact CD1-CD1 3.79Å; I160-L174 HydrophobicContact CG2-CB 4.47Å; L174-D176 VanDerWaalsContact C-N 3.29Å; L174-D176 PolarHBondContact O-N 3.17Å; L174-I177 HydrophobicContact CD1-CD1 3.92Å; L174-I177 WeakPolarHBondContact O-CB 3.48Å; L174-I177 WeakPolarHBondContact O-CG1 3.43Å; L174-I177 PolarHBondContact O-N 3.21Å; L174-L198 HydrophobicContact CD1-CD1 3.79Å; L174-L198 HydrophobicContact CD2-CD1 4.37Å; L174-I212 HydrophobicContact CD2-CD1 4.21Å; L174-I212 HydrophobicContact CD2-CG2 4.23Å; L174-I216 HydrophobicContact CB-CD1 4.32Å; L174-I216 HydrophobicContact CD1-CD1 4.48Å; L174-I216 PolarHBondContact N-O 3.1Å; L174-I226 HydrophobicContact CB-CG2 4.39Å; L174-I226 HydrophobicContact CD2-CB 4.34Å; L174-I226 HydrophobicContact CD2-CG2 3.97Å; L174-I226 HydrophobicContact CG-CG2 3.73Å; L174-L227 HydrophobicContact CD1-CD2 4.43Å; L174-L227 HydrophobicContact CD2-CD2 3.95Å; L174-I230 HydrophobicContact CD1-CD1 4.08Å; L174-I230 HydrophobicContact CG-CD1 4.36Å
175	Q	95.5	Very high	92.4	Very high	82 Å²	82	40.4 Å²	40.4	38%	0.383	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-63	-33.8	179.8	-169.2	176.6	21.9	0	0	113.1	R173 I177 I178 P179 I226	R173-Q175 PolarHBondContact O-N 3.39Å; Q175-I177 PolarHBondContact O-N 3.12Å; Q175-I177 VanDerWaalsContact O-N 3.1Å; Q175-I178 PolarHBondContact O-N 2.94Å; Q175-P179 WeakPolarHBondContact O-CD 3.36Å; Q175-I226 HydrophobicContact CB-CD1 4.03Å
176	D	95.4	Very high	91.9	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.037	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-72.1	-6.8	-174.8	-66.8	-25.6	0	0	0	112.6	A164 N165 D166 R173 L174 R180	A164-D176 HydrophobicContact CB-CB 4.31Å; N165-D176 WeakPolarHBondContact CA-OD2 3.47Å; D166-D176 PolarHBondContact N-OD2 2.92Å; R173-D176 WeakPolarHBondContact CB-OD2 3.28Å; R173-D176 IonicContact CZ-OD1 3.41Å; R173-D176 IonicContact CZ-OD2 3.72Å; R173-D176 IonicContact NE-OD1 2.72Å; R173-D176 IonicContact NE-OD2 3.59Å; R173-D176 PolarHBondContact NE-OD2 3.47Å; R173-D176 IonicContact NH2-OD1 3.59Å; R173-D176 PolarHBondContact NH2-OD1 3.35Å; R173-D176 IonicContact NH2-OD2 3.58Å; R173-D176 PolarHBondContact NH2-OD2 3.47Å; R173-D176 PolarHBondContact O-N 2.99Å; L174-D176 VanDerWaalsContact C-N 3.29Å; L174-D176 PolarHBondContact O-N 3.17Å; D176-R180 WeakPolarHBondContact O-CD 3.47Å; D176-R180 PolarHBondContact O-NH1 2.85Å
177	I	95.9	Very high	91.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-71.3	-44.1	173.2	-56.6	177.5	0	0	0	112.2	I160 W163 L174 Q175 R180 M181 F195	I160-I177 HydrophobicContact CD1-CD1 4.17Å; I160-I177 HydrophobicContact CG1-CD1 3.94Å; I160-I177 HydrophobicContact CG2-CD1 4.16Å; W163-I177 HydrophobicContact CE3-CG1 4.2Å; W163-I177 HydrophobicContact CZ3-CB 4.36Å; W163-I177 HydrophobicContact CZ3-CG1 4.06Å; W163-I177 HydrophobicContact CZ3-CG2 4.46Å; L174-I177 HydrophobicContact CD1-CD1 3.92Å; L174-I177 WeakPolarHBondContact O-CB 3.48Å; L174-I177 WeakPolarHBondContact O-CG1 3.43Å; L174-I177 PolarHBondContact O-N 3.21Å; Q175-I177 PolarHBondContact O-N 3.12Å; Q175-I177 VanDerWaalsContact O-N 3.1Å; I177-R180 CarbonylContact O-C 3.6Å; I177-R180 PolarHBondContact O-N 3.17Å; I177-R180 VanDerWaalsContact O-N 3.14Å; I177-M181 HydrophobicContact CG2-CG 4.36Å; I177-M181 WeakPolarHBondContact O-CG 3.33Å; I177-M181 PolarHBondContact O-N 2.65Å; I177-F195 HydrophobicContact CD1-CD1 4.02Å; I177-F195 HydrophobicContact CD1-CE1 3.54Å; I177-F195 HydrophobicContact CD1-CZ 4.25Å; I177-F195 HydrophobicContact CG2-CE1 3.85Å; I177-F195 HydrophobicContact CG2-CZ 3.99Å
178	I	95.3	Very high	91.8	Very high	23 Å²	23	34.6 Å²	34.6	12%	0.118	19%	0.185	C	C	.	.	H	α-helix	trans	-53.2	-53.3	-173.2	-63.6	162.5	0	0	0	112.4	Q175 M181 I226 Q229 I230	Q175-I178 PolarHBondContact O-N 2.94Å; I178-M181 PolarHBondContact O-N 2.91Å; I178-I226 HydrophobicContact CD1-CG2 3.85Å; I178-Q229 HydrophobicContact CD1-CB 3.59Å; I178-Q229 HydrophobicContact CD1-CG 4.48Å; I178-Q229 HydrophobicContact CG1-CB 4.25Å; I178-I230 HydrophobicContact CD1-CG1 4.35Å; I178-I230 HydrophobicContact CG1-CG1 3.62Å
179	P	94.5	Very high	92	Very high	33 Å²	33	25.6 Å²	25.6	21%	0.214	15%	0.145	C	C	.	.	H	α-helix	trans	-70.3	-35.1	-179.5	28.5	-36.1	0	0	0	112.3	Q175 M181 D182 Y485	Q175-P179 WeakPolarHBondContact O-CD 3.36Å; P179-M181 PolarHBondContact O-N 2.78Å; P179-D182 PolarHBondContact O-N 3.03Å; P179-Y485 HydrophobicContact CB-CD1 3.77Å; P179-Y485 HydrophobicContact CB-CD2 3.56Å; P179-Y485 HydrophobicContact CB-CE1 3.67Å; P179-Y485 HydrophobicContact CB-CE2 3.46Å; P179-Y485 VanDerWaalsContact CB-CE2 3.46Å; P179-Y485 HydrophobicContact CB-CG 3.69Å; P179-Y485 VanDerWaalsContact CB-CZ 3.5Å; P179-Y485 HydrophobicContact CG-CD1 4.22Å; P179-Y485 HydrophobicContact CG-CE1 3.72Å; P179-Y485 HydrophobicContact CG-CE2 4.12Å; P179-Y485 WeakPolarHBondContact O-CB 3.36Å
180	R	95	Very high	92.1	Very high	2 Å²	2	24 Å²	24	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-74.6	-6.1	179	-70.5	176.9	175.6	70.8	2.3	114.4	W163 A164 D166 D176 I177 D182 Y183 L184 Y485	W163-R180 HydrophobicContact CH2-CB 3.45Å; W163-R180 VanDerWaalsContact CH2-CB 3.45Å; W163-R180 HydrophobicContact CH2-CG 4.28Å; W163-R180 HydrophobicContact CZ2-CB 4.43Å; W163-R180 HydrophobicContact CZ3-CB 3.82Å; W163-R180 HydrophobicContact CZ3-CG 4.43Å; A164-R180 VanDerWaalsContact CB-NE 3.34Å; D166-R180 VanDerWaalsContact CG-NH1 3.33Å; D166-R180 IonicContact OD1-CZ 3.28Å; D166-R180 IonicContact OD1-NH1 2.96Å; D166-R180 PolarHBondContact OD1-NH1 3.37Å; D166-R180 IonicContact OD1-NH2 3.69Å; D166-R180 PolarHBondContact OD1-NH2 2.88Å; D166-R180 IonicContact OD2-CZ 3.95Å; D166-R180 IonicContact OD2-NH1 2.74Å; D166-R180 PolarHBondContact OD2-NH1 2.81Å; D166-R180 IonicContact OD2-NH2 2.77Å; D176-R180 WeakPolarHBondContact O-CD 3.47Å; D176-R180 PolarHBondContact O-NH1 2.85Å; I177-R180 CarbonylContact O-C 3.6Å; I177-R180 PolarHBondContact O-N 3.17Å; I177-R180 VanDerWaalsContact O-N 3.14Å; R180-D182 PolarHBondContact O-N 3.18Å; R180-Y183 WeakPolarHBondContact O-CA 3.39Å; R180-Y183 VanDerWaalsContact O-CB 3.26Å; R180-Y183 WeakPolarHBondContact O-CB 3.48Å; R180-Y183 PolarHBondContact O-N 2.93Å; R180-L184 PolarHBondContact O-N 3.29Å; R180-Y485 HydrophobicContact CG-CD1 3.67Å; R180-Y485 HydrophobicContact CG-CE1 3.91Å
181	M	94.1	Very high	92	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.1	-30.8	168.2	-64.5	-172.3	69.5	0	0	111.1	I177 I178 P179 L184 V185 I193 I230 K233 I237 I248	I177-M181 HydrophobicContact CG2-CG 4.36Å; I177-M181 WeakPolarHBondContact O-CG 3.33Å; I177-M181 PolarHBondContact O-N 2.65Å; I178-M181 PolarHBondContact O-N 2.91Å; P179-M181 PolarHBondContact O-N 2.78Å; M181-L184 PolarHBondContact O-N 3.24Å; M181-V185 WeakPolarHBondContact O-CG2 3.33Å; M181-V185 PolarHBondContact O-N 3.26Å; M181-V185 VanDerWaalsContact O-N 3.14Å; M181-I193 HydrophobicContact CE-CD1 3.96Å; M181-I230 HydrophobicContact SD-CG2 4.38Å; M181-K233 HydrophobicContact CB-CG 3.97Å; M181-K233 HydrophobicContact CE-CB 4.49Å; M181-K233 HydrophobicContact CE-CG 4.34Å; M181-K233 HydrophobicContact CG-CG 4.27Å; M181-K233 HydrophobicContact SD-CB 3.75Å; M181-K233 HydrophobicContact SD-CG 3.58Å; M181-K233 VanDerWaalsContact SD-CG 3.58Å; M181-I237 HydrophobicContact CB-CD1 3.65Å; M181-I237 WeakPolarHBondContact O-CD1 3.44Å; M181-I248 HydrophobicContact CE-CD1 3.8Å
182	D	91.7	Very high	91.9	Very high	39 Å²	39	15.1 Å²	15.1	21%	0.209	8%	0.077	C	C	.	.	H	α-helix	trans	-63.2	-40.2	173.6	-67.8	-40.7	0	0	0	112	P179 R180 N186 K233 I237 T486	P179-D182 PolarHBondContact O-N 3.03Å; R180-D182 PolarHBondContact O-N 3.18Å; D182-N186 VanDerWaalsContact O-CB 3.23Å; D182-N186 WeakPolarHBondContact O-CB 3.33Å; D182-N186 PolarHBondContact O-N 2.7Å; D182-N186 PolarHBondContact O-ND2 3.1Å; D182-K233 WeakPolarHBondContact OD1-CE 3.33Å; D182-K233 IonicContact OD1-NZ 3.96Å; D182-K233 PolarHBondContact OD1-NZ 2.89Å; D182-K233 WeakPolarHBondContact OD2-CE 3.25Å; D182-K233 IonicContact OD2-NZ 2.94Å; D182-K233 PolarHBondContact OD2-NZ 3.28Å; D182-I237 WeakPolarHBondContact OD1-CD1 3.46Å; D182-T486 HydrophobicContact CB-CG2 4.06Å
183	Y	92.8	Very high	92	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.3	-50.9	170.7	161.1	-100.3	0	0	0	111.8	W163 R180 V185 N186 Q187 I188 E464 W477 Y488 W489 P490 L503	W163-Y183 HydrophobicContact CZ2-CD1 4.33Å; W163-Y183 HydrophobicContact CZ2-CE1 4.49Å; R180-Y183 WeakPolarHBondContact O-CA 3.39Å; R180-Y183 VanDerWaalsContact O-CB 3.26Å; R180-Y183 WeakPolarHBondContact O-CB 3.48Å; R180-Y183 PolarHBondContact O-N 2.93Å; Y183-V185 PolarHBondContact O-N 2.93Å; Y183-N186 PolarHBondContact O-N 3.43Å; Y183-Q187 HydrophobicContact CD2-CB 3.69Å; Y183-Q187 HydrophobicContact CD2-CG 3.67Å; Y183-Q187 HydrophobicContact CE2-CB 3.68Å; Y183-Q187 HydrophobicContact CE2-CG 4.03Å; Y183-Q187 WeakPolarHBondContact O-CB 3.49Å; Y183-Q187 PolarHBondContact O-N 3.25Å; Y183-I188 HydrophobicContact CE1-CD1 4.48Å; Y183-I188 HydrophobicContact CE1-CG1 3.81Å; Y183-I188 HydrophobicContact CE2-CG1 4.4Å; Y183-I188 WeakPolarHBondContact OH-CD1 3.19Å; Y183-E464 WeakPolarHBondContact OH-CG 3.48Å; Y183-E464 PolarHBondContact OH-OE1 2.98Å; Y183-W477 AromaticContact CD1-CH2 3.62Å; Y183-W477 HydrophobicContact CD1-CH2 3.62Å; Y183-W477 AromaticContact CD1-CZ3 3.8Å; Y183-W477 HydrophobicContact CD1-CZ3 3.8Å; Y183-W477 HydrophobicContact CD2-CZ3 4.13Å; Y183-W477 AromaticContact CE1-CH2 3.58Å; Y183-W477 HydrophobicContact CE1-CH2 3.58Å; Y183-W477 AromaticContact CE1-CZ3 3.9Å; Y183-W477 HydrophobicContact CE1-CZ3 3.9Å; Y183-W477 HydrophobicContact CE2-CZ3 4.21Å; Y183-W477 HydrophobicContact CG-CH2 4.21Å; Y183-W477 AromaticContact CG-CZ3 3.91Å; Y183-W477 HydrophobicContact CG-CZ3 3.91Å; Y183-Y488 WeakPolarHBondContact CD2-O 3.21Å; Y183-Y488 WeakPolarHBondContact CE2-O 3.5Å; Y183-W489 HydrophobicContact CE2-CB 4.49Å; Y183-P490 WeakPolarHBondContact OH-CD 3.41Å; Y183-L503 HydrophobicContact CE2-CD1 4.41Å; Y183-L503 HydrophobicContact CE2-CD2 3.97Å
184	L	91.9	Very high	92.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-55.9	-39.7	-176.9	-65.7	176	0	0	0	112.1	Y156 I158 W163 R180 M181 I188 G189 A190 I193	Y156-L184 HydrophobicContact CD1-CD2 3.35Å; Y156-L184 HydrophobicContact CE1-CD2 3.46Å; Y156-L184 VanDerWaalsContact CE1-CD2 3.46Å; Y156-L184 HydrophobicContact CG-CD2 3.95Å; I158-L184 HydrophobicContact CD1-CD1 3.81Å; I158-L184 HydrophobicContact CD1-CD2 4.36Å; W163-L184 HydrophobicContact CH2-CD1 4.22Å; W163-L184 HydrophobicContact CH2-CD2 4.23Å; W163-L184 HydrophobicContact CH2-CG 4.24Å; W163-L184 HydrophobicContact CZ2-CD2 3.81Å; W163-L184 HydrophobicContact CZ2-CG 4.31Å; R180-L184 PolarHBondContact O-N 3.29Å; M181-L184 PolarHBondContact O-N 3.24Å; L184-I188 VanDerWaalsContact O-CB 3.3Å; L184-I188 WeakPolarHBondContact O-CB 3.28Å; L184-G189 PolarHBondContact O-N 3.48Å; L184-A190 HydrophobicContact CB-CB 4.14Å; L184-A190 WeakPolarHBondContact O-CB 3.25Å; L184-A190 PolarHBondContact O-N 2.92Å; L184-I193 HydrophobicContact CD1-CD1 3.46Å; L184-I193 VanDerWaalsContact CD1-CD1 3.46Å; L184-I193 HydrophobicContact CD1-CG1 3.9Å
185	V	86.5	Confident	92.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.006	7%	0.068	C	C	.	.	I	π-helix	trans	-80.6	-46.7	179.8	-179.1	0	0	0	0	111.8	M181 Y183 G189 I237 L238 K241 Y243 I248	M181-V185 WeakPolarHBondContact O-CG2 3.33Å; M181-V185 PolarHBondContact O-N 3.26Å; M181-V185 VanDerWaalsContact O-N 3.14Å; Y183-V185 PolarHBondContact O-N 2.93Å; V185-G189 WeakPolarHBondContact O-CA 3.24Å; V185-G189 PolarHBondContact O-N 3.01Å; V185-I237 HydrophobicContact CB-CD1 4.25Å; V185-I237 HydrophobicContact CB-CG1 4.38Å; V185-I237 HydrophobicContact CG2-CD1 3.63Å; V185-I237 HydrophobicContact CG2-CG1 3.89Å; V185-I237 HydrophobicContact CG2-CG2 4.1Å; V185-L238 HydrophobicContact CB-CD2 4.34Å; V185-L238 HydrophobicContact CG1-CD2 3.51Å; V185-L238 HydrophobicContact CG2-CD2 3.75Å; V185-K241 HydrophobicContact CG1-CD 4.04Å; V185-Y243 HydrophobicContact CG1-CD2 4.17Å; V185-Y243 HydrophobicContact CG1-CE2 3.24Å; V185-Y243 PolarHBondContact O-OH 3.12Å; V185-Y243 VanDerWaalsContact O-OH 3.12Å; V185-I248 HydrophobicContact CG2-CD1 3.34Å; V185-I248 HydrophobicContact CG2-CG1 4.12Å
186	N	84.1	Confident	92.2	Very high	38 Å²	38	9 Å²	9	20%	0.203	5%	0.051	C	C	.	.	I	π-helix	trans	-78.5	-34	-170.2	-75.5	-70.7	0	0	0	114.3	D182 Y183 K241 T486 K507	D182-N186 VanDerWaalsContact O-CB 3.23Å; D182-N186 WeakPolarHBondContact O-CB 3.33Å; D182-N186 PolarHBondContact O-N 2.7Å; D182-N186 PolarHBondContact O-ND2 3.1Å; Y183-N186 PolarHBondContact O-N 3.43Å; N186-K241 PolarHBondContact ND2-NZ 3.49Å; N186-K241 VanDerWaalsContact ND2-NZ 3.17Å; N186-K241 WeakPolarHBondContact OD1-CE 3.23Å; N186-K241 PolarHBondContact OD1-NZ 2.97Å; N186-T486 WeakPolarHBondContact ND2-CG2 3.5Å; N186-K507 WeakPolarHBondContact O-CE 3.48Å
187	Q	87.7	Confident	92.2	Very high	27 Å²	27	10.5 Å²	10.5	13%	0.126	6%	0.059	C	C	.	.	I	π-helix	trans	-102.4	-42	-174.2	-61.2	-64.1	-15.3	0	0	111.2	Y183 T486 L503	Y183-Q187 HydrophobicContact CD2-CB 3.69Å; Y183-Q187 HydrophobicContact CD2-CG 3.67Å; Y183-Q187 HydrophobicContact CE2-CB 3.68Å; Y183-Q187 HydrophobicContact CE2-CG 4.03Å; Y183-Q187 WeakPolarHBondContact O-CB 3.49Å; Y183-Q187 PolarHBondContact O-N 3.25Å; Q187-T486 PolarHBondContact NE2-O 3.25Å; Q187-L503 HydrophobicContact CB-CD1 4.01Å; Q187-L503 HydrophobicContact CB-CD2 3.99Å; Q187-L503 HydrophobicContact CB-CG 4.16Å; Q187-L503 HydrophobicContact CG-CD2 4.13Å
188	I	89.5	Confident	92.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-91.8	-32.4	-176.3	-60.1	-56.6	0	0	0	112.8	Q154 Y156 Y183 L184 A190 M459 E464 L503 W506 I510	Q154-I188 HydrophobicContact CG-CG2 4.44Å; Y156-I188 HydrophobicContact CD2-CG2 3.81Å; Y156-I188 HydrophobicContact CE2-CD1 4.45Å; Y156-I188 HydrophobicContact CE2-CG1 4.23Å; Y156-I188 HydrophobicContact CE2-CG2 4.25Å; Y183-I188 HydrophobicContact CE1-CD1 4.48Å; Y183-I188 HydrophobicContact CE1-CG1 3.81Å; Y183-I188 HydrophobicContact CE2-CG1 4.4Å; Y183-I188 WeakPolarHBondContact OH-CD1 3.19Å; L184-I188 VanDerWaalsContact O-CB 3.3Å; L184-I188 WeakPolarHBondContact O-CB 3.28Å; I188-A190 VanDerWaalsContact C-N 3.32Å; I188-A190 HydrophobicContact CG2-CB 4.13Å; I188-M459 HydrophobicContact CD1-CE 4.34Å; I188-M459 HydrophobicContact CG2-CE 3.35Å; I188-E464 HydrophobicContact CD1-CB 3.57Å; I188-E464 HydrophobicContact CD1-CG 3.67Å; I188-L503 HydrophobicContact CD1-CD1 3.72Å; I188-W506 PolarHBondContact O-NE1 2.92Å; I188-I510 VanDerWaalsContact O-CD1 3.28Å; I188-I510 WeakPolarHBondContact O-CD1 3.48Å
189	G	84.9	Confident	92.2	Very high	7 Å²	7	9.6 Å²	9.6	7%	0.072	5%	0.054	C	C	.	.			trans	73.5	25.9	-170.3	0	0	0	0	0	112.9	Q154 L184 V185 T191	Q154-G189 WeakPolarHBondContact CB-O 3.44Å; L184-G189 PolarHBondContact O-N 3.48Å; V185-G189 WeakPolarHBondContact O-CA 3.24Å; V185-G189 PolarHBondContact O-N 3.01Å; G189-T191 PolarHBondContact O-N 3.05Å
190	A	89.4	Confident	92.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.			trans	-62.7	127.7	178.2	0	0	0	0	0	110.5	L184 I188	L184-A190 HydrophobicContact CB-CB 4.14Å; L184-A190 WeakPolarHBondContact O-CB 3.25Å; L184-A190 PolarHBondContact O-N 2.92Å; I188-A190 VanDerWaalsContact C-N 3.32Å; I188-A190 HydrophobicContact CG2-CB 4.13Å
191	T	88.4	Confident	92.2	Very high	8 Å²	8	11.2 Å²	11.2	5%	0.049	6%	0.063	C	C	.	.	S	Bend	trans	-107.2	-12.5	174.7	50.8	0	0	0	0	111.9	T153 Q154 G189 I248 T249	T153-T191 WeakPolarHBondContact CA-OG1 2.97Å; T153-T191 WeakPolarHBondContact CB-OG1 3.21Å; T153-T191 PolarHBondContact OG1-OG1 2.75Å; Q154-T191 PolarHBondContact N-OG1 2.93Å; Q154-T191 PolarHBondContact O-N 3.37Å; G189-T191 PolarHBondContact O-N 3.05Å; T191-I248 WeakPolarHBondContact O-CA 3.45Å; T191-T249 PolarHBondContact O-N 3.3Å
192	S	92.8	Very high	92.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.8	172.7	-55.6	0	0	0	0	111.1	W149 T153 Q154 I155 Y156 T249	W149-S192 WeakPolarHBondContact CZ3-OG 3.26Å; T153-S192 WeakPolarHBondContact OG1-CB 3.26Å; T153-S192 PolarHBondContact OG1-OG 2.77Å; Q154-S192 PolarHBondContact O-N 3.45Å; I155-S192 WeakPolarHBondContact CA-O 3.26Å; Y156-S192 PolarHBondContact N-O 3.07Å; S192-T249 CarbonylContact C-O 3.57Å; S192-T249 WeakPolarHBondContact CA-O 2.88Å
193	I	96.2	Very high	92.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.7	176.1	-61.5	168.6	0	0	0	108.3	Y156 I158 M181 L184 F195 I248 T249 I250 M251	Y156-I193 WeakPolarHBondContact O-CA 3.33Å; I158-I193 HydrophobicContact CD1-CG2 3.68Å; I158-I193 HydrophobicContact CG1-CG2 4.19Å; M181-I193 HydrophobicContact CE-CD1 3.96Å; L184-I193 HydrophobicContact CD1-CD1 3.46Å; L184-I193 VanDerWaalsContact CD1-CD1 3.46Å; L184-I193 HydrophobicContact CD1-CG1 3.9Å; I193-F195 HydrophobicContact CB-CZ 4.47Å; I193-F195 HydrophobicContact CG2-CD1 3.8Å; I193-F195 HydrophobicContact CG2-CE1 3.38Å; I193-F195 HydrophobicContact CG2-CE2 4.19Å; I193-F195 HydrophobicContact CG2-CG 4.34Å; I193-F195 HydrophobicContact CG2-CZ 3.61Å; I193-I248 HydrophobicContact CB-CG2 4.44Å; I193-I248 HydrophobicContact CD1-CD1 4.41Å; I193-I248 HydrophobicContact CD1-CG2 3.71Å; I193-I248 HydrophobicContact CG1-CG2 3.68Å; I193-T249 PolarHBondContact N-O 2.89Å; I193-I250 CarbonylContact O-C 3.51Å; I193-M251 PolarHBondContact O-N 3.45Å
194	L	97.7	Very high	92.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	110.4	172.5	171.4	63.7	0	0	0	109.3	I155 Y156 Q157 I158 M251 M347 F377 L458	I155-L194 HydrophobicContact CG2-CB 3.85Å; Y156-L194 PolarHBondContact O-N 3.06Å; Q157-L194 CarbonylContact C-O 3.52Å; Q157-L194 WeakPolarHBondContact CA-O 3.29Å; Q157-L194 HydrophobicContact CB-CB 4.34Å; Q157-L194 HydrophobicContact CB-CD2 4.21Å; Q157-L194 HydrophobicContact CB-CG 4.48Å; Q157-L194 HydrophobicContact CG-CD2 4.02Å; Q157-L194 HydrophobicContact CG-CG 4.17Å; I158-L194 PolarHBondContact N-O 2.77Å; L194-M251 WeakPolarHBondContact CA-O 3.08Å; L194-M251 HydrophobicContact CB-CB 4.23Å; L194-M251 HydrophobicContact CD1-CB 3.61Å; L194-M347 HydrophobicContact CD1-CB 3.93Å; L194-M347 HydrophobicContact CD2-CB 3.95Å; L194-M347 HydrophobicContact CD2-CE 3.83Å; L194-M347 HydrophobicContact CD2-CG 4.41Å; L194-M347 HydrophobicContact CD2-SD 3.63Å; L194-F377 HydrophobicContact CD2-CZ 4.38Å; L194-L458 HydrophobicContact CD2-CD1 4.21Å
195	F	97.5	Very high	92.2	Very high	1 Å²	1	21 Å²	21	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.3	177.3	-64	-54.6	0	0	0	111.5	I158 I160 I177 I193 L198 I230 I250 M251 I252 G253 L341	I158-F195 HydrophobicContact CB-CD1 4.17Å; I158-F195 HydrophobicContact CD1-CE1 4.17Å; I158-F195 HydrophobicContact CG2-CD1 4.44Å; I160-F195 HydrophobicContact CD1-CB 4.11Å; I160-F195 HydrophobicContact CD1-CD1 4.13Å; I160-F195 HydrophobicContact CD1-CG 4.28Å; I160-F195 HydrophobicContact CG1-CD1 4.16Å; I177-F195 HydrophobicContact CD1-CD1 4.02Å; I177-F195 HydrophobicContact CD1-CE1 3.54Å; I177-F195 HydrophobicContact CD1-CZ 4.25Å; I177-F195 HydrophobicContact CG2-CE1 3.85Å; I177-F195 HydrophobicContact CG2-CZ 3.99Å; I193-F195 HydrophobicContact CB-CZ 4.47Å; I193-F195 HydrophobicContact CG2-CD1 3.8Å; I193-F195 HydrophobicContact CG2-CE1 3.38Å; I193-F195 HydrophobicContact CG2-CE2 4.19Å; I193-F195 HydrophobicContact CG2-CG 4.34Å; I193-F195 HydrophobicContact CG2-CZ 3.61Å; F195-L198 HydrophobicContact CB-CB 4.45Å; F195-I230 HydrophobicContact CE2-CG2 4.35Å; F195-I230 HydrophobicContact CZ-CG2 4.3Å; F195-I250 HydrophobicContact CD2-CG2 3.72Å; F195-I250 HydrophobicContact CE2-CG2 3.57Å; F195-M251 PolarHBondContact N-O 3.29Å; F195-I252 HydrophobicContact CB-CG2 4.37Å; F195-I252 CarbonylContact O-C 3.55Å; F195-I252 WeakPolarHBondContact O-CA 3.39Å; F195-G253 PolarHBondContact O-N 3.32Å; F195-L341 HydrophobicContact CD2-CD2 4.21Å; F195-L341 HydrophobicContact CE2-CD2 4.48Å
196	T	95.8	Very high	92.6	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	154.6	167.8	58.6	0	0	0	0	110.4	Q157 I158 N159 I160 L198 M347 M349	Q157-T196 HydrophobicContact CG-CG2 4.05Å; I158-T196 PolarHBondContact O-N 3.06Å; I158-T196 PolarHBondContact O-OG1 3.03Å; N159-T196 VanDerWaalsContact CA-OG1 3.24Å; N159-T196 WeakPolarHBondContact CA-OG1 3.46Å; N159-T196 WeakPolarHBondContact CB-OG1 3.21Å; I160-T196 PolarHBondContact N-O 2.86Å; T196-L198 PolarHBondContact O-N 2.9Å; T196-M347 HydrophobicContact CG2-CE 3.91Å; T196-M349 HydrophobicContact CG2-CE 3.96Å; T196-M349 HydrophobicContact CG2-SD 3.92Å
197	N	94.2	Very high	93.3	Very high	37 Å²	37	21.9 Å²	21.9	20%	0.198	12%	0.123	C	C	.	.	S	Bend	trans	58.2	28.7	-174.3	-59.5	-0.2	0	0	0	114.6	N159 E161	N159-N197 PolarHBondContact ND2-ND2 2.75Å; N159-N197 WeakPolarHBondContact OD1-CB 3.27Å; N159-N197 PolarHBondContact OD1-ND2 3.36Å; N159-N197 VanDerWaalsContact OD1-ND2 3.17Å; E161-N197 HydrophobicContact CG-CB 4.1Å; E161-N197 PolarHBondContact OE2-ND2 3Å
198	L	96.4	Very high	93.6	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	13%	0.131	C	C	.	.			trans	-73.8	-43.5	172.2	175.9	65.5	0	0	0	112.1	I160 L174 F195 T196 I212 N213 I216 I252 W337 L341	I160-L198 HydrophobicContact CD1-CB 3.87Å; I160-L198 HydrophobicContact CD1-CD1 3.81Å; I160-L198 HydrophobicContact CD1-CG 4.43Å; L174-L198 HydrophobicContact CD1-CD1 3.79Å; L174-L198 HydrophobicContact CD2-CD1 4.37Å; F195-L198 HydrophobicContact CB-CB 4.45Å; T196-L198 PolarHBondContact O-N 2.9Å; L198-I212 HydrophobicContact CD1-CG1 4.46Å; L198-I212 HydrophobicContact CD1-CG2 4.33Å; L198-I212 WeakPolarHBondContact O-CA 3.49Å; L198-N213 PolarHBondContact O-N 3.47Å; L198-I216 HydrophobicContact CD1-CD1 4.15Å; L198-I252 HydrophobicContact CD2-CG2 3.79Å; L198-W337 HydrophobicContact CD2-CE3 4.17Å; L198-W337 HydrophobicContact CD2-CH2 3.92Å; L198-W337 HydrophobicContact CD2-CZ3 3.59Å; L198-W337 HydrophobicContact CG-CH2 4.03Å; L198-W337 HydrophobicContact CG-CZ3 4.18Å; L198-L341 HydrophobicContact CD2-CD2 3.71Å
199	L	95.9	Very high	93.9	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	151.1	-174.7	-75.7	66.7	0	0	0	110.6	S201 I206 W209 I252 L254 W337	L199-S201 PolarHBondContact O-N 2.99Å; L199-S201 PolarHBondContact O-OG 3.47Å; L199-I206 HydrophobicContact CB-CD1 4.19Å; L199-I206 HydrophobicContact CD2-CD1 4.37Å; L199-W209 HydrophobicContact CD2-CB 4.45Å; L199-I252 HydrophobicContact CD1-CD1 4.27Å; L199-L254 HydrophobicContact CD2-CD1 3.42Å; L199-L254 VanDerWaalsContact CD2-CD1 3.42Å; L199-W337 HydrophobicContact CD1-CZ2 3.92Å; L199-W337 HydrophobicContact CG-CZ2 3.78Å
200	N	95.6	Very high	94.4	Very high	41 Å²	41	26.9 Å²	26.9	22%	0.219	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	107	175.7	-173	-3.3	0	0	0	111.4	I207 N208 T211	N200-I207 PolarHBondContact O-N 3Å; N200-N208 HydrophobicContact CB-CB 4.47Å; N200-N208 PolarHBondContact O-N 3.06Å; N200-N208 VanDerWaalsContact O-N 3.17Å; N200-T211 WeakPolarHBondContact CB-OG1 3.47Å; N200-T211 PolarHBondContact N-O 3.26Å; N200-T211 PolarHBondContact ND2-OG1 2.98Å
201	S	94.1	Very high	94.6	Very high	27 Å²	27	28.9 Å²	28.9	19%	0.189	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.2	-175.6	58.8	0	0	0	0	111.3	L199 G205	L199-S201 PolarHBondContact O-N 2.99Å; L199-S201 PolarHBondContact O-OG 3.47Å; S201-G205 CarbonylContact C-O 3.51Å; S201-G205 VanDerWaalsContact CA-O 3.23Å; S201-G205 WeakPolarHBondContact CA-O 3.08Å; S201-G205 WeakPolarHBondContact CB-O 3.38Å
202	D	92.6	Very high	95	Very high	35 Å²	35	29.2 Å²	29.2	19%	0.187	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-175.2	163	65.2	15.6	0	0	0	111	N204 G205 I207 S260 K262	D202-N204 PolarHBondContact O-N 2.67Å; D202-N204 WeakPolarHBondContact OD1-CA 3.35Å; D202-N204 WeakPolarHBondContact OD1-CB 3.37Å; D202-N204 PolarHBondContact OD1-N 3.48Å; D202-G205 PolarHBondContact N-O 3.36Å; D202-G205 PolarHBondContact O-N 2.97Å; D202-G205 PolarHBondContact OD1-N 2.83Å; D202-I207 HydrophobicContact CB-CD1 3.94Å; D202-S260 WeakPolarHBondContact OD1-CB 3.25Å; D202-S260 PolarHBondContact OD1-OG 3.33Å; D202-S260 PolarHBondContact OD2-OG 2.67Å; D202-K262 WeakPolarHBondContact OD2-CD 3.35Å; D202-K262 WeakPolarHBondContact OD2-CE 3.23Å; D202-K262 IonicContact OD2-NZ 2.97Å; D202-K262 PolarHBondContact OD2-NZ 3.45Å
203	I	91.2	Very high	95.1	Very high	164 Å²	164	29.5 Å²	29.5	84%	0.841	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-21	175.7	-166	94.6	0	0	0	113.1
204	N	92.6	Very high	95	Very high	27 Å²	27	35.1 Å²	35.1	14%	0.144	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-1.8	-178.5	-51.1	-62.4	0	0	0	113.5	D202 N313 N315 S316	D202-N204 PolarHBondContact O-N 2.67Å; D202-N204 WeakPolarHBondContact OD1-CA 3.35Å; D202-N204 WeakPolarHBondContact OD1-CB 3.37Å; D202-N204 PolarHBondContact OD1-N 3.48Å; N204-N313 PolarHBondContact OD1-ND2 2.65Å; N204-N313 VanDerWaalsContact OD1-ND2 3.17Å; N204-N313 PolarHBondContact OD1-OD1 2.65Å; N204-N315 HydrophobicContact CB-CB 3.69Å; N204-S316 WeakPolarHBondContact O-CB 3.35Å; N204-S316 PolarHBondContact O-OG 2.6Å
205	G	92.7	Very high	94.8	Very high	19 Å²	19	38 Å²	38	20%	0.196	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125.7	-161.6	174.8	0	0	0	0	0	113.7	S201 D202 I207	S201-G205 CarbonylContact C-O 3.51Å; S201-G205 VanDerWaalsContact CA-O 3.23Å; S201-G205 WeakPolarHBondContact CA-O 3.08Å; S201-G205 WeakPolarHBondContact CB-O 3.38Å; D202-G205 PolarHBondContact N-O 3.36Å; D202-G205 PolarHBondContact O-N 2.97Å; D202-G205 PolarHBondContact OD1-N 2.83Å; G205-I207 PolarHBondContact O-N 3.17Å
206	I	96.3	Very high	94.7	Very high	13 Å²	13	38 Å²	38	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.1	-172.5	-55.1	-57.5	0	0	0	111.1	L199 N208 W209 S260 H263	L199-I206 HydrophobicContact CB-CD1 4.19Å; L199-I206 HydrophobicContact CD2-CD1 4.37Å; I206-N208 VanDerWaalsContact CG2-C 3.49Å; I206-W209 HydrophobicContact CG2-CB 4.38Å; I206-W209 HydrophobicContact CG2-CD2 3.85Å; I206-W209 HydrophobicContact CG2-CG 3.72Å; I206-S260 WeakPolarHBondContact O-CB 3.35Å; I206-S260 PolarHBondContact O-N 3.37Å; I206-H263 PolarHBondContact O-CD2 3.08Å
207	I	96.9	Very high	94.6	Very high	45 Å²	45	38.4 Å²	38.4	23%	0.231	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-38.6	170.8	-64.6	173.9	0	0	0	110.1	N200 D202 G205 K262 H263	N200-I207 PolarHBondContact O-N 3Å; D202-I207 HydrophobicContact CB-CD1 3.94Å; G205-I207 PolarHBondContact O-N 3.17Å; I207-K262 HydrophobicContact CD1-CD 4.31Å; I207-K262 HydrophobicContact CG1-CB 4.32Å; I207-H263 WeakPolarHBondContact O-CA 2.92Å; I207-H263 PolarHBondContact O-CD2 3.13Å; I207-H263 PolarHBondContact O-NE2 3.33Å
208	N	95.7	Very high	94.4	Very high	55 Å²	55	40.5 Å²	40.5	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	123.6	173.6	-179.5	-25.7	0	0	0	110.6	N200 I206 E210 T211	N200-N208 HydrophobicContact CB-CB 4.47Å; N200-N208 PolarHBondContact O-N 3.06Å; N200-N208 VanDerWaalsContact O-N 3.17Å; I206-N208 VanDerWaalsContact CG2-C 3.49Å; N208-E210 PolarHBondContact O-N 2.92Å; N208-E210 PolarHBondContact OD1-N 3.44Å; N208-T211 HydrophobicContact CB-CG2 4.44Å; N208-T211 WeakPolarHBondContact CB-OG1 3.33Å; N208-T211 PolarHBondContact O-OG1 3.01Å
209	W	94.7	Very high	94.1	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-23.4	-177.6	-71.8	-77.5	0	0	0	115.3	L199 I206 S255 T259 H263 W265 L319 M330 V333 W337	L199-W209 HydrophobicContact CD2-CB 4.45Å; I206-W209 HydrophobicContact CG2-CB 4.38Å; I206-W209 HydrophobicContact CG2-CD2 3.85Å; I206-W209 HydrophobicContact CG2-CG 3.72Å; W209-S255 PolarHBondContact NE1-O 3.13Å; W209-T259 HydrophobicContact CH2-CG2 3.05Å; W209-T259 HydrophobicContact CZ2-CG2 3.37Å; W209-T259 HydrophobicContact CZ3-CG2 3.95Å; W209-H263 AromaticContact CE3-CD2 3.9Å; W209-H263 AromaticContact CE3-CE1 3.6Å; W209-H263 AromaticContact CE3-NE2 3.06Å; W209-H263 AromaticContact CZ3-CD2 3.68Å; W209-H263 AromaticContact CZ3-CE1 3.17Å; W209-H263 WeakPolarHBondContact CZ3-CE1 3.31Å; W209-H263 AromaticContact CZ3-ND1 3.85Å; W209-H263 AromaticContact CZ3-NE2 3.03Å; W209-H263 WeakPolarHBondContact CZ3-NE2 2.99Å; W209-W265 HydrophobicContact CE3-CE3 4.35Å; W209-W265 AromaticContact CE3-CH2 3.62Å; W209-W265 HydrophobicContact CE3-CH2 3.62Å; W209-W265 AromaticContact CE3-CZ2 3.81Å; W209-W265 HydrophobicContact CE3-CZ2 3.81Å; W209-W265 AromaticContact CE3-CZ3 3.94Å; W209-W265 HydrophobicContact CE3-CZ3 3.94Å; W209-W265 HydrophobicContact CH2-CD2 4.18Å; W209-W265 AromaticContact CH2-CE3 3.4Å; W209-W265 HydrophobicContact CH2-CE3 3.4Å; W209-W265 VanDerWaalsContact CH2-CE3 3.4Å; W209-W265 AromaticContact CH2-CH2 3.77Å; W209-W265 HydrophobicContact CH2-CH2 3.77Å; W209-W265 HydrophobicContact CH2-CZ2 4.5Å; W209-W265 AromaticContact CH2-CZ3 3.18Å; W209-W265 HydrophobicContact CH2-CZ3 3.18Å; W209-W265 HydrophobicContact CZ2-CZ3 4.24Å; W209-W265 AromaticContact CZ3-CD2 3.53Å; W209-W265 HydrophobicContact CZ3-CD2 3.53Å; W209-W265 AromaticContact CZ3-CE2 3.69Å; W209-W265 AromaticContact CZ3-CE3 3.19Å; W209-W265 HydrophobicContact CZ3-CE3 3.19Å; W209-W265 HydrophobicContact CZ3-CG 4.46Å; W209-W265 AromaticContact CZ3-CH2 3.18Å; W209-W265 HydrophobicContact CZ3-CH2 3.18Å; W209-W265 AromaticContact CZ3-CZ2 3.54Å; W209-W265 HydrophobicContact CZ3-CZ2 3.54Å; W209-W265 AromaticContact CZ3-CZ3 3.02Å; W209-W265 HydrophobicContact CZ3-CZ3 3.02Å; W209-L319 HydrophobicContact CH2-CD1 3.91Å; W209-L319 HydrophobicContact CH2-CD2 4.45Å; W209-L319 HydrophobicContact CZ2-CD1 3.87Å; W209-M330 HydrophobicContact CD2-SD 4.46Å; W209-M330 HydrophobicContact CH2-SD 4.16Å; W209-M330 HydrophobicContact CZ2-CE 4.14Å; W209-M330 HydrophobicContact CZ2-SD 3.89Å; W209-V333 HydrophobicContact CB-CB 4.32Å; W209-V333 HydrophobicContact CB-CG1 3.63Å; W209-V333 HydrophobicContact CB-CG2 3.66Å; W209-V333 HydrophobicContact CD2-CG2 4.41Å; W209-V333 HydrophobicContact CG-CG1 4Å; W209-V333 HydrophobicContact CG-CG2 4.07Å; W209-W337 WeakPolarHBondContact O-CZ2 3Å; W209-W337 PolarHBondContact O-NE1 3.47Å
210	E	95	Very high	93.9	Very high	82 Å²	82	51 Å²	51	38%	0.383	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	12.6	-172.5	-61.5	-176.6	164	0	0	112.3	N208 F223 V333 F336	N208-E210 PolarHBondContact O-N 2.92Å; N208-E210 PolarHBondContact OD1-N 3.44Å; E210-F223 WeakPolarHBondContact O-CZ 3.17Å; E210-V333 HydrophobicContact CG-CG2 4.44Å; E210-F336 HydrophobicContact CB-CD1 4.19Å; E210-F336 HydrophobicContact CB-CD2 4.41Å; E210-F336 HydrophobicContact CB-CE1 3.97Å; E210-F336 HydrophobicContact CB-CE2 4.2Å; E210-F336 HydrophobicContact CB-CG 4.4Å; E210-F336 HydrophobicContact CB-CZ 3.97Å; E210-F336 HydrophobicContact CG-CD1 4.14Å; E210-F336 HydrophobicContact CG-CD2 4.33Å; E210-F336 HydrophobicContact CG-CE1 4.44Å; E210-F336 HydrophobicContact CG-CG 4.08Å; E210-F336 WeakPolarHBondContact O-CE1 3.28Å; E210-F336 WeakPolarHBondContact O-CZ 3.32Å
211	T	95.3	Very high	93.8	Very high	42 Å²	42	52.8 Å²	52.8	26%	0.258	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.1	177.1	60.1	0	0	0	0	110.9	N200 N208	N200-T211 WeakPolarHBondContact CB-OG1 3.47Å; N200-T211 PolarHBondContact N-O 3.26Å; N200-T211 PolarHBondContact ND2-OG1 2.98Å; N208-T211 HydrophobicContact CB-CG2 4.44Å; N208-T211 WeakPolarHBondContact CB-OG1 3.33Å; N208-T211 PolarHBondContact O-OG1 3.01Å
212	I	96.2	Very high	93.7	Very high	15 Å²	15	51.5 Å²	51.5	8%	0.077	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	145.2	174.6	-63.6	166.1	0	0	0	108.4	L174 L198 Q214 I216 D217 F223 L227 W337	L174-I212 HydrophobicContact CD2-CD1 4.21Å; L174-I212 HydrophobicContact CD2-CG2 4.23Å; L198-I212 HydrophobicContact CD1-CG1 4.46Å; L198-I212 HydrophobicContact CD1-CG2 4.33Å; L198-I212 WeakPolarHBondContact O-CA 3.49Å; I212-Q214 PolarHBondContact O-N 3.36Å; I212-I216 HydrophobicContact CG2-CD1 4.01Å; I212-I216 HydrophobicContact CG2-CG1 4.07Å; I212-D217 HydrophobicContact CG2-CB 3.81Å; I212-F223 HydrophobicContact CD1-CD1 4.24Å; I212-F223 HydrophobicContact CD1-CD2 4Å; I212-F223 HydrophobicContact CD1-CE1 4.22Å; I212-F223 HydrophobicContact CD1-CE2 4Å; I212-F223 HydrophobicContact CD1-CG 4.13Å; I212-F223 HydrophobicContact CD1-CZ 4.1Å; I212-F223 HydrophobicContact CG1-CD2 4.42Å; I212-F223 HydrophobicContact CG1-CE1 4.35Å; I212-F223 HydrophobicContact CG1-CE2 3.91Å; I212-F223 HydrophobicContact CG1-CZ 3.87Å; I212-L227 HydrophobicContact CD1-CD1 3.93Å; I212-L227 HydrophobicContact CD1-CG 4.16Å; I212-W337 HydrophobicContact CG1-CH2 4Å
213	N	95.1	Very high	93.8	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.032	28%	0.281	C	S	.	.			trans	-63.1	120.7	174.7	-176.8	-14.2	0	0	0	110.5	E161 L198 S215 I216 D217	E161-N213 PolarHBondContact OE1-ND2 3.03Å; L198-N213 PolarHBondContact O-N 3.47Å; N213-S215 PolarHBondContact O-N 3.05Å; N213-S215 VanDerWaalsContact O-N 3.11Å; N213-S215 VanDerWaalsContact OD1-CB 3.28Å; N213-S215 WeakPolarHBondContact OD1-CB 3.48Å; N213-S215 PolarHBondContact OD1-N 3.33Å; N213-S215 PolarHBondContact OD1-OG 2.81Å; N213-I216 HydrophobicContact CB-CG1 4.14Å; N213-I216 WeakPolarHBondContact O-CG1 3.29Å; N213-I216 PolarHBondContact O-N 3.18Å; N213-I216 VanDerWaalsContact O-N 3.12Å; N213-D217 PolarHBondContact O-N 3.32Å
214	Q	94	Very high	93.9	Very high	118 Å²	118	51.5 Å²	51.5	55%	0.551	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.1	-178.4	-166.9	176.8	17.6	0	0	112.6	I212 I216 D217 P218	I212-Q214 PolarHBondContact O-N 3.36Å; Q214-I216 VanDerWaalsContact C-N 3.27Å; Q214-I216 PolarHBondContact O-N 2.8Å; Q214-D217 CarbonylContact O-C 3.56Å; Q214-D217 VanDerWaalsContact O-C 3.26Å; Q214-D217 PolarHBondContact O-N 3.41Å; Q214-P218 VanDerWaalsContact O-CA 3.26Å; Q214-P218 WeakPolarHBondContact O-CA 3.33Å
215	S	93.1	Very high	94.1	Very high	60 Å²	60	53.2 Å²	53.2	42%	0.42	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.3	178.6	-47.1	0	0	0	0	112.8	N213	N213-S215 PolarHBondContact O-N 3.05Å; N213-S215 VanDerWaalsContact O-N 3.11Å; N213-S215 VanDerWaalsContact OD1-CB 3.28Å; N213-S215 WeakPolarHBondContact OD1-CB 3.48Å; N213-S215 PolarHBondContact OD1-N 3.33Å; N213-S215 PolarHBondContact OD1-OG 2.81Å
216	I	94.7	Very high	94.2	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-16.4	-180	64	164.8	0	0	0	113	I160 E161 I171 G172 R173 L174 L198 I212 N213 Q214	I160-I216 HydrophobicContact CB-CD1 4.05Å; I160-I216 HydrophobicContact CB-CG2 4.21Å; I160-I216 HydrophobicContact CD1-CD1 3.79Å; I160-I216 HydrophobicContact CG2-CB 3.81Å; I160-I216 HydrophobicContact CG2-CD1 3.72Å; I160-I216 HydrophobicContact CG2-CG1 4.34Å; I160-I216 HydrophobicContact CG2-CG2 3.79Å; E161-I216 HydrophobicContact CB-CG2 4.35Å; E161-I216 HydrophobicContact CG-CG2 3.48Å; E161-I216 VanDerWaalsContact CG-CG2 3.48Å; I171-I216 HydrophobicContact CG2-CG2 4.4Å; G172-I216 WeakPolarHBondContact O-CG2 2.91Å; R173-I216 WeakPolarHBondContact CA-O 3.34Å; L174-I216 HydrophobicContact CB-CD1 4.32Å; L174-I216 HydrophobicContact CD1-CD1 4.48Å; L174-I216 PolarHBondContact N-O 3.1Å; L198-I216 HydrophobicContact CD1-CD1 4.15Å; I212-I216 HydrophobicContact CG2-CD1 4.01Å; I212-I216 HydrophobicContact CG2-CG1 4.07Å; N213-I216 HydrophobicContact CB-CG1 4.14Å; N213-I216 WeakPolarHBondContact O-CG1 3.29Å; N213-I216 PolarHBondContact O-N 3.18Å; N213-I216 VanDerWaalsContact O-N 3.12Å; Q214-I216 VanDerWaalsContact C-N 3.27Å; Q214-I216 PolarHBondContact O-N 2.8Å
217	D	94.5	Very high	94.3	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.053	27%	0.274	C	S	.	.			trans	-136.1	66.9	178.5	179.3	34.2	0	0	0	110.5	I212 N213 Q214 T219 E220 E221 G222	I212-D217 HydrophobicContact CG2-CB 3.81Å; N213-D217 PolarHBondContact O-N 3.32Å; Q214-D217 CarbonylContact O-C 3.56Å; Q214-D217 VanDerWaalsContact O-C 3.26Å; Q214-D217 PolarHBondContact O-N 3.41Å; D217-T219 PolarHBondContact O-N 3.44Å; D217-T219 PolarHBondContact OD1-OG1 2.7Å; D217-E220 PolarHBondContact O-N 3.21Å; D217-E220 VanDerWaalsContact O-N 3.17Å; D217-E220 PolarHBondContact OD1-N 3.36Å; D217-E220 WeakPolarHBondContact OD2-CA 3.21Å; D217-E221 PolarHBondContact OD1-N 2.8Å; D217-E221 PolarHBondContact OD2-N 3.3Å; D217-G222 VanDerWaalsContact CG-N 3.3Å; D217-G222 PolarHBondContact OD1-N 2.8Å; D217-G222 WeakPolarHBondContact OD2-CA 3.17Å; D217-G222 PolarHBondContact OD2-N 3.33Å
218	P	90.8	Very high	94.3	Very high	82 Å²	82	52.6 Å²	52.6	53%	0.532	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.7	-176.8	27.5	-35.9	0	0	0	113.1	Q214 E220	Q214-P218 VanDerWaalsContact O-CA 3.26Å; Q214-P218 WeakPolarHBondContact O-CA 3.33Å; P218-E220 VanDerWaalsContact C-N 3.32Å
219	T	89.9	Confident	94.3	Very high	85 Å²	85	53.5 Å²	53.5	52%	0.521	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.2	177.6	48.8	0	0	0	0	113	D217 E221	D217-T219 PolarHBondContact O-N 3.44Å; D217-T219 PolarHBondContact OD1-OG1 2.7Å; T219-E221 PolarHBondContact O-N 3.19Å
220	E	91.5	Very high	94.4	Very high	140 Å²	140	53.4 Å²	53.4	65%	0.654	28%	0.284	S	S	*	.	S	Bend	trans	55.5	30.4	-176.6	-57.1	-179.2	-176.1	0	0	112.9	D217 P218	D217-E220 PolarHBondContact O-N 3.21Å; D217-E220 VanDerWaalsContact O-N 3.17Å; D217-E220 PolarHBondContact OD1-N 3.36Å; D217-E220 WeakPolarHBondContact OD2-CA 3.21Å; P218-E220 VanDerWaalsContact C-N 3.32Å
221	E	93.1	Very high	94.4	Very high	79 Å²	79	50.5 Å²	50.5	37%	0.369	27%	0.271	S	S	.	.			trans	-95.4	-2.6	-178.8	-75.6	-165.9	-166	0	0	112.4	D217 T219 F223 N224 N225 I226	D217-E221 PolarHBondContact OD1-N 2.8Å; D217-E221 PolarHBondContact OD2-N 3.3Å; T219-E221 PolarHBondContact O-N 3.19Å; E221-F223 PolarHBondContact O-N 2.68Å; E221-N224 PolarHBondContact O-N 3.18Å; E221-N225 HydrophobicContact CB-CB 4.14Å; E221-N225 WeakPolarHBondContact O-CA 3.24Å; E221-N225 WeakPolarHBondContact O-CB 3.46Å; E221-N225 PolarHBondContact O-N 3.29Å; E221-N225 PolarHBondContact OE2-ND2 3.4Å; E221-I226 HydrophobicContact CB-CD1 4.16Å; E221-I226 HydrophobicContact CB-CG1 4.28Å; E221-I226 PolarHBondContact O-N 3.49Å
222	G	92.8	Very high	94.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.29	C	S	.	.	I	π-helix	trans	-48.5	-61.6	-176.5	0	0	0	0	0	112.5	D217 I226 L227	D217-G222 VanDerWaalsContact CG-N 3.3Å; D217-G222 PolarHBondContact OD1-N 2.8Å; D217-G222 WeakPolarHBondContact OD2-CA 3.17Å; D217-G222 PolarHBondContact OD2-N 3.33Å; G222-I226 PolarHBondContact O-N 3.38Å; G222-L227 WeakPolarHBondContact O-CB 3.36Å; G222-L227 VanDerWaalsContact O-CG 3.29Å; G222-L227 WeakPolarHBondContact O-CG 3.3Å; G222-L227 PolarHBondContact O-N 2.86Å
223	F	93.7	Very high	94.3	Very high	57 Å²	57	57.6 Å²	57.6	25%	0.25	30%	0.298	C	S	.	.	I	π-helix	trans	-69.5	-38.4	-176	-75	-64.5	0	0	0	114.4	E210 I212 E221 L227 P228 F336 W337 K340	E210-F223 WeakPolarHBondContact O-CZ 3.17Å; I212-F223 HydrophobicContact CD1-CD1 4.24Å; I212-F223 HydrophobicContact CD1-CD2 4Å; I212-F223 HydrophobicContact CD1-CE1 4.22Å; I212-F223 HydrophobicContact CD1-CE2 4Å; I212-F223 HydrophobicContact CD1-CG 4.13Å; I212-F223 HydrophobicContact CD1-CZ 4.1Å; I212-F223 HydrophobicContact CG1-CD2 4.42Å; I212-F223 HydrophobicContact CG1-CE1 4.35Å; I212-F223 HydrophobicContact CG1-CE2 3.91Å; I212-F223 HydrophobicContact CG1-CZ 3.87Å; E221-F223 PolarHBondContact O-N 2.68Å; F223-L227 HydrophobicContact CD1-CD1 3.81Å; F223-L227 HydrophobicContact CE1-CD1 4.03Å; F223-P228 WeakPolarHBondContact O-CD 3.48Å; F223-F336 AromaticContact CE1-CE1 3.77Å; F223-F336 HydrophobicContact CE1-CE1 3.77Å; F223-F336 AromaticContact CE1-CZ 3.6Å; F223-F336 HydrophobicContact CE1-CZ 3.6Å; F223-F336 AromaticContact CZ-CE1 3.8Å; F223-F336 HydrophobicContact CZ-CE1 3.8Å; F223-F336 AromaticContact CZ-CZ 3.58Å; F223-F336 HydrophobicContact CZ-CZ 3.58Å; F223-W337 HydrophobicContact CE1-CH2 4.27Å; F223-W337 HydrophobicContact CE1-CZ3 4.31Å; F223-W337 HydrophobicContact CZ-CH2 4.19Å; F223-K340 HydrophobicContact CD1-CB 4.34Å; F223-K340 HydrophobicContact CD1-CD 4.09Å; F223-K340 HydrophobicContact CD1-CG 4.22Å; F223-K340 HydrophobicContact CE1-CB 4.17Å; F223-K340 HydrophobicContact CE1-CD 4.38Å; F223-K340 HydrophobicContact CE1-CG 4.05Å
224	N	93.3	Very high	94.2	Very high	142 Å²	142	57.5 Å²	57.5	76%	0.759	30%	0.298	S	S	*	.	I	π-helix	trans	-89.9	-27.3	-169	-67	-27.7	0	0	0	112.9	E221	E221-N224 PolarHBondContact O-N 3.18Å
225	N	96	Very high	94	Very high	63 Å²	63	56 Å²	56	34%	0.337	29%	0.289	S	S	.	.	I	π-helix	trans	-125.3	-53	-172.5	-164.3	17.3	0	0	0	111.9	E221 Q229	E221-N225 HydrophobicContact CB-CB 4.14Å; E221-N225 WeakPolarHBondContact O-CA 3.24Å; E221-N225 WeakPolarHBondContact O-CB 3.46Å; E221-N225 PolarHBondContact O-N 3.29Å; E221-N225 PolarHBondContact OE2-ND2 3.4Å; N225-Q229 VanDerWaalsContact O-CG 3.24Å; N225-Q229 WeakPolarHBondContact O-CG 3.02Å; N225-Q229 PolarHBondContact O-N 2.96Å; N225-Q229 PolarHBondContact OD1-NE2 2.85Å
226	I	96.4	Very high	93.7	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.015	29%	0.291	C	S	.	.	I	π-helix	trans	-77.4	-51.1	-167.1	-55.1	171	0	0	0	112.3	L174 Q175 I178 E221 G222 Q229 I230	L174-I226 HydrophobicContact CB-CG2 4.39Å; L174-I226 HydrophobicContact CD2-CB 4.34Å; L174-I226 HydrophobicContact CD2-CG2 3.97Å; L174-I226 HydrophobicContact CG-CG2 3.73Å; Q175-I226 HydrophobicContact CB-CD1 4.03Å; I178-I226 HydrophobicContact CD1-CG2 3.85Å; E221-I226 HydrophobicContact CB-CD1 4.16Å; E221-I226 HydrophobicContact CB-CG1 4.28Å; E221-I226 PolarHBondContact O-N 3.49Å; G222-I226 PolarHBondContact O-N 3.38Å; I226-Q229 WeakPolarHBondContact O-CB 3.39Å; I226-Q229 PolarHBondContact O-N 2.69Å; I226-Q229 VanDerWaalsContact O-N 3.12Å; I226-I230 HydrophobicContact CG2-CD1 4.1Å; I226-I230 HydrophobicContact CG2-CG1 4.49Å; I226-I230 WeakPolarHBondContact O-CG1 3.42Å; I226-I230 PolarHBondContact O-N 2.91Å
227	L	96.8	Very high	93.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-45.1	178.9	-63.7	-172.1	0	0	0	112.3	L174 I212 G222 F223 Q229 I230 I231 W337 L341	L174-L227 HydrophobicContact CD1-CD2 4.43Å; L174-L227 HydrophobicContact CD2-CD2 3.95Å; I212-L227 HydrophobicContact CD1-CD1 3.93Å; I212-L227 HydrophobicContact CD1-CG 4.16Å; G222-L227 WeakPolarHBondContact O-CB 3.36Å; G222-L227 VanDerWaalsContact O-CG 3.29Å; G222-L227 WeakPolarHBondContact O-CG 3.3Å; G222-L227 PolarHBondContact O-N 2.86Å; F223-L227 HydrophobicContact CD1-CD1 3.81Å; F223-L227 HydrophobicContact CE1-CD1 4.03Å; L227-Q229 VanDerWaalsContact C-N 3.28Å; L227-Q229 PolarHBondContact O-N 2.97Å; L227-I230 HydrophobicContact CD2-CD1 4.29Å; L227-I230 PolarHBondContact O-N 3.5Å; L227-I230 VanDerWaalsContact O-N 3.15Å; L227-I231 WeakPolarHBondContact O-CG1 3.22Å; L227-I231 PolarHBondContact O-N 3.32Å; L227-W337 HydrophobicContact CD1-CZ3 4.12Å; L227-L341 HydrophobicContact CB-CD1 4.34Å; L227-L341 HydrophobicContact CD2-CD1 3.94Å; L227-L341 HydrophobicContact CD2-CD2 4.31Å
228	P	97.1	Very high	92	Very high	60 Å²	60	57 Å²	57	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-57.3	-38.3	173.1	-26.9	36	0	0	0	113.6	F223 I231 K232	F223-P228 WeakPolarHBondContact O-CD 3.48Å; P228-I231 PolarHBondContact O-N 2.86Å; P228-K232 WeakPolarHBondContact O-CB 3.47Å; P228-K232 PolarHBondContact O-N 2.74Å
229	Q	96.7	Very high	90.6	Very high	74 Å²	74	57.5 Å²	57.5	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-67.7	-40.1	175.7	-73.8	-177.5	45	0	0	112.3	I178 N225 I226 L227 K232 K233	I178-Q229 HydrophobicContact CD1-CB 3.59Å; I178-Q229 HydrophobicContact CD1-CG 4.48Å; I178-Q229 HydrophobicContact CG1-CB 4.25Å; N225-Q229 VanDerWaalsContact O-CG 3.24Å; N225-Q229 WeakPolarHBondContact O-CG 3.02Å; N225-Q229 PolarHBondContact O-N 2.96Å; N225-Q229 PolarHBondContact OD1-NE2 2.85Å; I226-Q229 WeakPolarHBondContact O-CB 3.39Å; I226-Q229 PolarHBondContact O-N 2.69Å; I226-Q229 VanDerWaalsContact O-N 3.12Å; L227-Q229 VanDerWaalsContact C-N 3.28Å; L227-Q229 PolarHBondContact O-N 2.97Å; Q229-K232 PolarHBondContact O-N 2.76Å; Q229-K233 WeakPolarHBondContact O-CB 3.37Å; Q229-K233 PolarHBondContact O-N 2.98Å
230	I	96.6	Very high	88.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-47.3	174	-68.5	172.9	0	0	0	110.3	L174 I178 M181 F195 I226 L227 K232 K233 S234 I250 L341	L174-I230 HydrophobicContact CD1-CD1 4.08Å; L174-I230 HydrophobicContact CG-CD1 4.36Å; I178-I230 HydrophobicContact CD1-CG1 4.35Å; I178-I230 HydrophobicContact CG1-CG1 3.62Å; M181-I230 HydrophobicContact SD-CG2 4.38Å; F195-I230 HydrophobicContact CE2-CG2 4.35Å; F195-I230 HydrophobicContact CZ-CG2 4.3Å; I226-I230 HydrophobicContact CG2-CD1 4.1Å; I226-I230 HydrophobicContact CG2-CG1 4.49Å; I226-I230 WeakPolarHBondContact O-CG1 3.42Å; I226-I230 PolarHBondContact O-N 2.91Å; L227-I230 HydrophobicContact CD2-CD1 4.29Å; L227-I230 PolarHBondContact O-N 3.5Å; L227-I230 VanDerWaalsContact O-N 3.15Å; I230-K232 PolarHBondContact O-N 3.27Å; I230-K233 PolarHBondContact O-N 3.19Å; I230-S234 WeakPolarHBondContact O-CB 3.17Å; I230-S234 PolarHBondContact O-N 2.74Å; I230-I250 HydrophobicContact CG2-CD1 3.82Å; I230-L341 HydrophobicContact CG2-CD1 4.4Å
231	I	95.7	Very high	87.3	Confident	21 Å²	21	56.9 Å²	56.9	11%	0.108	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-45.5	177.2	-63.3	165.1	0	0	0	110.9	L227 P228 K233 S234 K235 L341 E342	L227-I231 WeakPolarHBondContact O-CG1 3.22Å; L227-I231 PolarHBondContact O-N 3.32Å; P228-I231 PolarHBondContact O-N 2.86Å; I231-K233 PolarHBondContact O-N 3.14Å; I231-S234 PolarHBondContact O-N 2.61Å; I231-S234 PolarHBondContact O-OG 3.49Å; I231-K235 HydrophobicContact CG2-CD 4.22Å; I231-K235 WeakPolarHBondContact O-CG 3.42Å; I231-K235 PolarHBondContact O-N 2.98Å; I231-L341 HydrophobicContact CG1-CD1 4.15Å; I231-E342 HydrophobicContact CD1-CG 4.26Å; I231-E342 HydrophobicContact CG2-CG 4.44Å
232	K	94.9	Very high	85.5	Confident	153 Å²	153	60.2 Å²	60.2	67%	0.665	31%	0.305	S	S	*	.	H	α-helix	trans	-60.5	-48.4	178.8	-177.3	178.9	177.5	-178.8	0	110.8	P228 Q229 I230 K235 T236	P228-K232 WeakPolarHBondContact O-CB 3.47Å; P228-K232 PolarHBondContact O-N 2.74Å; Q229-K232 PolarHBondContact O-N 2.76Å; I230-K232 PolarHBondContact O-N 3.27Å; K232-K235 PolarHBondContact O-N 3.12Å; K232-T236 WeakPolarHBondContact O-CG2 3.24Å; K232-T236 PolarHBondContact O-N 2.83Å; K232-T236 PolarHBondContact O-OG1 3.01Å
233	K	93.6	Very high	83.7	Confident	53 Å²	53	63 Å²	63	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-42.4	179.7	-173	71	169.3	-177.9	0	111	M181 D182 Q229 I230 I231 K235 T236 I237	M181-K233 HydrophobicContact CB-CG 3.97Å; M181-K233 HydrophobicContact CE-CB 4.49Å; M181-K233 HydrophobicContact CE-CG 4.34Å; M181-K233 HydrophobicContact CG-CG 4.27Å; M181-K233 HydrophobicContact SD-CB 3.75Å; M181-K233 HydrophobicContact SD-CG 3.58Å; M181-K233 VanDerWaalsContact SD-CG 3.58Å; D182-K233 WeakPolarHBondContact OD1-CE 3.33Å; D182-K233 IonicContact OD1-NZ 3.96Å; D182-K233 PolarHBondContact OD1-NZ 2.89Å; D182-K233 WeakPolarHBondContact OD2-CE 3.25Å; D182-K233 IonicContact OD2-NZ 2.94Å; D182-K233 PolarHBondContact OD2-NZ 3.28Å; Q229-K233 WeakPolarHBondContact O-CB 3.37Å; Q229-K233 PolarHBondContact O-N 2.98Å; I230-K233 PolarHBondContact O-N 3.19Å; I231-K233 PolarHBondContact O-N 3.14Å; K233-K235 VanDerWaalsContact C-N 3.25Å; K233-K235 PolarHBondContact O-N 2.85Å; K233-T236 PolarHBondContact O-N 3.03Å; K233-T236 PolarHBondContact O-OG1 2.92Å; K233-I237 WeakPolarHBondContact O-CB 3.17Å; K233-I237 VanDerWaalsContact O-CG2 3.3Å; K233-I237 WeakPolarHBondContact O-CG2 3.3Å; K233-I237 PolarHBondContact O-N 3.03Å
234	S	92.3	Very high	81.8	Confident	5 Å²	5	63.7 Å²	63.7	4%	0.035	32%	0.322	C	S	.	.	H	α-helix	trans	-58.5	-36.8	178.5	79.3	0	0	0	0	112.6	I230 I231 Y247 I248	I230-S234 WeakPolarHBondContact O-CB 3.17Å; I230-S234 PolarHBondContact O-N 2.74Å; I231-S234 PolarHBondContact O-N 2.61Å; I231-S234 PolarHBondContact O-OG 3.49Å; S234-Y247 WeakPolarHBondContact O-CA 3.43Å; S234-Y247 WeakPolarHBondContact O-CB 3.47Å; S234-I248 PolarHBondContact O-N 3.06Å
235	K	89.6	Confident	80.2	Confident	86 Å²	86	57.8 Å²	57.8	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-75.4	-33.9	177.7	-69.9	176.3	-178.8	173.7	0	114	I231 K232 K233 T239 E342	I231-K235 HydrophobicContact CG2-CD 4.22Å; I231-K235 WeakPolarHBondContact O-CG 3.42Å; I231-K235 PolarHBondContact O-N 2.98Å; K232-K235 PolarHBondContact O-N 3.12Å; K233-K235 VanDerWaalsContact C-N 3.25Å; K233-K235 PolarHBondContact O-N 2.85Å; K235-T239 WeakPolarHBondContact O-CG2 3.4Å; K235-E342 WeakPolarHBondContact CE-OE2 3.35Å; K235-E342 IonicContact NZ-OE1 3.87Å; K235-E342 PolarHBondContact NZ-OE1 2.74Å; K235-E342 IonicContact NZ-OE2 2.86Å; K235-E342 PolarHBondContact NZ-OE2 2.85Å
236	T	87.4	Confident	78.8	Confident	74 Å²	74	62.5 Å²	62.5	45%	0.454	31%	0.31	S	S	.	.	H	α-helix	trans	-92	-22.1	-175.4	56.5	0	0	0	0	114.4	K232 K233 L238 T239	K232-T236 WeakPolarHBondContact O-CG2 3.24Å; K232-T236 PolarHBondContact O-N 2.83Å; K232-T236 PolarHBondContact O-OG1 3.01Å; K233-T236 PolarHBondContact O-N 3.03Å; K233-T236 PolarHBondContact O-OG1 2.92Å; T236-L238 PolarHBondContact O-N 2.91Å; T236-T239 PolarHBondContact O-OG1 3.03Å
237	I	81.8	Confident	78	Confident	14 Å²	14	65.4 Å²	65.4	7%	0.072	32%	0.322	C	S	.	.	S	Bend	trans	-73	-25.3	-166.4	-164.9	168.3	0	0	0	114.5	M181 D182 V185 K233 I248	M181-I237 HydrophobicContact CB-CD1 3.65Å; M181-I237 WeakPolarHBondContact O-CD1 3.44Å; D182-I237 WeakPolarHBondContact OD1-CD1 3.46Å; V185-I237 HydrophobicContact CB-CD1 4.25Å; V185-I237 HydrophobicContact CB-CG1 4.38Å; V185-I237 HydrophobicContact CG2-CD1 3.63Å; V185-I237 HydrophobicContact CG2-CG1 3.89Å; V185-I237 HydrophobicContact CG2-CG2 4.1Å; K233-I237 WeakPolarHBondContact O-CB 3.17Å; K233-I237 VanDerWaalsContact O-CG2 3.3Å; K233-I237 WeakPolarHBondContact O-CG2 3.3Å; K233-I237 PolarHBondContact O-N 3.03Å; I237-I248 HydrophobicContact CD1-CD1 4.46Å; I237-I248 HydrophobicContact CG2-CD1 3.51Å; I237-I248 HydrophobicContact CG2-CG1 3.67Å
238	L	72.3	Confident	77.7	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	32%	0.322	C	S	.	.	S	Bend	trans	-95.6	-14.2	179.9	-55	-172.6	0	0	0	113.6	V185 T236 N240 K241 Y243 N245 Y247 I248	V185-L238 HydrophobicContact CB-CD2 4.34Å; V185-L238 HydrophobicContact CG1-CD2 3.51Å; V185-L238 HydrophobicContact CG2-CD2 3.75Å; T236-L238 PolarHBondContact O-N 2.91Å; L238-N240 PolarHBondContact O-N 3.47Å; L238-K241 PolarHBondContact O-N 3.31Å; L238-Y243 HydrophobicContact CB-CD2 4.26Å; L238-Y243 HydrophobicContact CD2-CD2 3.49Å; L238-Y243 VanDerWaalsContact CD2-CD2 3.49Å; L238-Y243 HydrophobicContact CD2-CE2 3.85Å; L238-Y243 HydrophobicContact CD2-CG 4.41Å; L238-Y243 HydrophobicContact CG-CD2 4.34Å; L238-N245 HydrophobicContact CD1-CB 3.93Å; L238-N245 WeakPolarHBondContact CD1-O 3.18Å; L238-Y247 WeakPolarHBondContact CD1-O 3.42Å; L238-I248 HydrophobicContact CD1-CG1 4.07Å; L238-I248 HydrophobicContact CD2-CG1 4.07Å; L238-I248 HydrophobicContact CG-CG1 4.03Å
239	T	60.5	Low	77.5	Confident	93 Å²	93	62.7 Å²	62.7	57%	0.571	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.9	-172.6	60.1	0	0	0	0	113.6	K235 T236	K235-T239 WeakPolarHBondContact O-CG2 3.4Å; T236-T239 PolarHBondContact O-OG1 3.03Å
240	N	54.8	Low	77.5	Confident	149 Å²	149	59.5 Å²	59.5	80%	0.797	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	9.5	-178.2	-63.8	-16.6	0	0	0	113.4	L238	L238-N240 PolarHBondContact O-N 3.47Å
241	K	58.1	Low	77.5	Confident	63 Å²	63	59.5 Å²	59.5	27%	0.274	29%	0.289	S	S	.	.	S	Bend	trans	-133.4	153.7	-170.5	-68.6	179.3	177.9	176.7	0	111.5	V185 N186 L238 Y243	V185-K241 HydrophobicContact CG1-CD 4.04Å; N186-K241 PolarHBondContact ND2-NZ 3.49Å; N186-K241 VanDerWaalsContact ND2-NZ 3.17Å; N186-K241 WeakPolarHBondContact OD1-CE 3.23Å; N186-K241 PolarHBondContact OD1-NZ 2.97Å; L238-K241 PolarHBondContact O-N 3.31Å; K241-Y243 HydrophobicContact CB-CD2 3.29Å; K241-Y243 HydrophobicContact CB-CE2 3.36Å; K241-Y243 HydrophobicContact CB-CG 4.09Å; K241-Y243 HydrophobicContact CD-CD2 3.89Å; K241-Y243 HydrophobicContact CD-CE2 3.1Å; K241-Y243 HydrophobicContact CG-CD2 4.26Å; K241-Y243 HydrophobicContact CG-CE2 3.87Å; K241-Y243 PolarHBondContact O-N 3.41Å
242	Q	54.7	Low	77.6	Confident	150 Å²	150	58.5 Å²	58.5	70%	0.701	28%	0.284	S	S	*	.			trans	-75	44.4	-179.6	-61.6	179.7	-15.8	0	0	112.4	Y514 Y515	Q242-Y514 VanDerWaalsContact O-CE1 3.27Å; Q242-Y514 WeakPolarHBondContact O-CE1 3.47Å; Q242-Y515 VanDerWaalsContact CB-OH 3.27Å; Q242-Y515 WeakPolarHBondContact CB-OH 3.28Å; Q242-Y515 PolarHBondContact OE1-OH 2.89Å
243	Y	54.4	Low	77.7	Confident	59 Å²	59	51.5 Å²	51.5	23%	0.231	26%	0.255	C	S	.	.			trans	-94.2	146.8	-178.5	-62.3	-48.3	0	0	0	111.8	V185 L238 K241 N245 Y514	V185-Y243 HydrophobicContact CG1-CD2 4.17Å; V185-Y243 HydrophobicContact CG1-CE2 3.24Å; V185-Y243 PolarHBondContact O-OH 3.12Å; V185-Y243 VanDerWaalsContact O-OH 3.12Å; L238-Y243 HydrophobicContact CB-CD2 4.26Å; L238-Y243 HydrophobicContact CD2-CD2 3.49Å; L238-Y243 VanDerWaalsContact CD2-CD2 3.49Å; L238-Y243 HydrophobicContact CD2-CE2 3.85Å; L238-Y243 HydrophobicContact CD2-CG 4.41Å; L238-Y243 HydrophobicContact CG-CD2 4.34Å; K241-Y243 HydrophobicContact CB-CD2 3.29Å; K241-Y243 HydrophobicContact CB-CE2 3.36Å; K241-Y243 HydrophobicContact CB-CG 4.09Å; K241-Y243 HydrophobicContact CD-CD2 3.89Å; K241-Y243 HydrophobicContact CD-CE2 3.1Å; K241-Y243 HydrophobicContact CG-CD2 4.26Å; K241-Y243 HydrophobicContact CG-CE2 3.87Å; K241-Y243 PolarHBondContact O-N 3.41Å; Y243-N245 PolarHBondContact O-N 2.73Å; Y243-Y514 WeakPolarHBondContact CA-OH 3.19Å; Y243-Y514 WeakPolarHBondContact CB-OH 3.36Å; Y243-Y514 HydrophobicContact CD1-CD1 4.47Å; Y243-Y514 HydrophobicContact CD1-CD2 4.1Å; Y243-Y514 AromaticContact CD1-CE1 3.89Å; Y243-Y514 HydrophobicContact CD1-CE1 3.89Å; Y243-Y514 AromaticContact CD1-CE2 3.44Å; Y243-Y514 HydrophobicContact CD1-CE2 3.44Å; Y243-Y514 VanDerWaalsContact CD1-CE2 3.44Å; Y243-Y514 AromaticContact CD1-CZ 3.34Å; Y243-Y514 WeakPolarHBondContact CD1-OH 3.38Å; Y243-Y514 HydrophobicContact CE1-CD2 4.32Å; Y243-Y514 AromaticContact CE1-CE2 3.97Å; Y243-Y514 HydrophobicContact CE1-CE2 3.97Å; Y243-Y514 HydrophobicContact CG-CE2 4.44Å
244	N	55.3	Low	77.7	Confident	70 Å²	70	49.2 Å²	49.2	37%	0.374	25%	0.246	S	C	.	.	S	Bend	trans	-69.5	-20.3	-178.6	-63.1	-28.6	0	0	0	112.6	Y514	N244-Y514 HydrophobicContact CB-CE1 4.3Å; N244-Y514 PolarHBondContact N-OH 2.84Å
245	N	59.1	Low	77.7	Confident	18 Å²	18	49.6 Å²	49.6	10%	0.096	25%	0.248	C	C	.	.	S	Bend	trans	-101.8	136.9	176.6	-74.1	9.2	0	0	0	110.1	L238 Y243 Y247	L238-N245 HydrophobicContact CD1-CB 3.93Å; L238-N245 WeakPolarHBondContact CD1-O 3.18Å; Y243-N245 PolarHBondContact O-N 2.73Å; N245-Y247 WeakPolarHBondContact CB-O 3.3Å; N245-Y247 PolarHBondContact O-N 2.8Å
246	Q	65.6	Low	77.9	Confident	162 Å²	162	45.5 Å²	45.5	76%	0.757	23%	0.23	S	C	*	.	S	Bend	trans	-69.8	-24.3	175.6	-67	179.4	-10.3	0	0	112.3
247	Y	81.7	Confident	78.2	Confident	65 Å²	65	42.3 Å²	42.3	26%	0.255	21%	0.21	S	C	.	.	S	Bend	trans	-153.9	161.5	-178	56.9	-92	0	0	0	111.2	S234 L238 N245 T249	S234-Y247 WeakPolarHBondContact O-CA 3.43Å; S234-Y247 WeakPolarHBondContact O-CB 3.47Å; L238-Y247 WeakPolarHBondContact CD1-O 3.42Å; N245-Y247 WeakPolarHBondContact CB-O 3.3Å; N245-Y247 PolarHBondContact O-N 2.8Å; Y247-T249 PolarHBondContact O-N 3.23Å
248	I	89.7	Confident	78.8	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.208	C	C	.	.			trans	-74	125.6	172.1	-62	-179.8	0	0	0	109	M181 V185 T191 I193 S234 I237 L238	M181-I248 HydrophobicContact CE-CD1 3.8Å; V185-I248 HydrophobicContact CG2-CD1 3.34Å; V185-I248 HydrophobicContact CG2-CG1 4.12Å; T191-I248 WeakPolarHBondContact O-CA 3.45Å; I193-I248 HydrophobicContact CB-CG2 4.44Å; I193-I248 HydrophobicContact CD1-CD1 4.41Å; I193-I248 HydrophobicContact CD1-CG2 3.71Å; I193-I248 HydrophobicContact CG1-CG2 3.68Å; S234-I248 PolarHBondContact O-N 3.06Å; I237-I248 HydrophobicContact CD1-CD1 4.46Å; I237-I248 HydrophobicContact CG2-CD1 3.51Å; I237-I248 HydrophobicContact CG2-CG1 3.67Å; L238-I248 HydrophobicContact CD1-CG1 4.07Å; L238-I248 HydrophobicContact CD2-CG1 4.07Å; L238-I248 HydrophobicContact CG-CG1 4.03Å
249	T	93	Very high	80	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	139	177.3	-58.3	0	0	0	0	111.1	W149 T191 S192 I193 Y247 K344	W149-T249 HydrophobicContact CD2-CG2 3.99Å; W149-T249 HydrophobicContact CE3-CG2 4.1Å; W149-T249 HydrophobicContact CH2-CG2 3.72Å; W149-T249 HydrophobicContact CZ2-CG2 3.59Å; W149-T249 HydrophobicContact CZ3-CG2 3.97Å; T191-T249 PolarHBondContact O-N 3.3Å; S192-T249 CarbonylContact C-O 3.57Å; S192-T249 WeakPolarHBondContact CA-O 2.88Å; I193-T249 PolarHBondContact N-O 2.89Å; Y247-T249 PolarHBondContact O-N 3.23Å; T249-K344 HydrophobicContact CG2-CB 3.38Å; T249-K344 HydrophobicContact CG2-CG 3.89Å
250	I	96.5	Very high	81.7	Confident	7 Å²	7	37.2 Å²	37.2	4%	0.036	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.8	-178	-57.3	172.6	0	0	0	110	I193 F195 I230 L341 I343 K344	I193-I250 CarbonylContact O-C 3.51Å; F195-I250 HydrophobicContact CD2-CG2 3.72Å; F195-I250 HydrophobicContact CE2-CG2 3.57Å; I230-I250 HydrophobicContact CG2-CD1 3.82Å; I250-L341 HydrophobicContact CD1-CD1 4.04Å; I250-L341 HydrophobicContact CG2-CD1 4.4Å; I250-L341 HydrophobicContact CG2-CD2 4.04Å; I250-L341 HydrophobicContact CG2-CG 3.94Å; I250-I343 HydrophobicContact CG2-CG2 4.42Å; I250-I343 CarbonylContact O-C 3.57Å; I250-I343 WeakPolarHBondContact O-CA 3.31Å; I250-K344 PolarHBondContact O-N 3.32Å
251	M	97.4	Very high	83.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.1	173.9	-54.9	-179.7	67.1	0	0	109.4	W149 I155 I193 L194 F195 G345 I375 F377	W149-M251 HydrophobicContact CH2-CG 4.27Å; W149-M251 HydrophobicContact CH2-SD 3.84Å; W149-M251 HydrophobicContact CZ3-SD 4.48Å; I155-M251 HydrophobicContact CD1-SD 4.2Å; I155-M251 HydrophobicContact CG2-SD 4.39Å; I193-M251 PolarHBondContact O-N 3.45Å; L194-M251 WeakPolarHBondContact CA-O 3.08Å; L194-M251 HydrophobicContact CB-CB 4.23Å; L194-M251 HydrophobicContact CD1-CB 3.61Å; F195-M251 PolarHBondContact N-O 3.29Å; M251-G345 VanDerWaalsContact CA-O 3.27Å; M251-G345 WeakPolarHBondContact CA-O 3.31Å; M251-G345 WeakPolarHBondContact CB-O 3.21Å; M251-I375 HydrophobicContact CE-CD1 3.89Å; M251-I375 HydrophobicContact CE-CG1 3.99Å; M251-I375 HydrophobicContact SD-CD1 4.34Å; M251-F377 HydrophobicContact CE-CD1 4.29Å; M251-F377 HydrophobicContact CE-CE1 3.57Å; M251-F377 HydrophobicContact CE-CZ 4.43Å
252	I	97.7	Very high	85.5	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.8	174.4	65	174.2	0	0	0	111.3	F195 L198 L199 W337 L341 I343 G345 L346 M347	F195-I252 HydrophobicContact CB-CG2 4.37Å; F195-I252 CarbonylContact O-C 3.55Å; F195-I252 WeakPolarHBondContact O-CA 3.39Å; L198-I252 HydrophobicContact CD2-CG2 3.79Å; L199-I252 HydrophobicContact CD1-CD1 4.27Å; I252-W337 HydrophobicContact CD1-CB 3.71Å; I252-W337 HydrophobicContact CD1-CD2 3.88Å; I252-W337 HydrophobicContact CD1-CE3 4.43Å; I252-W337 HydrophobicContact CD1-CG 3.52Å; I252-L341 HydrophobicContact CG2-CD2 3.95Å; I252-I343 HydrophobicContact CD1-CD1 3.77Å; I252-I343 HydrophobicContact CD1-CG2 4.38Å; I252-I343 HydrophobicContact CG1-CD1 3.88Å; I252-I343 HydrophobicContact CG1-CG2 4.3Å; I252-I343 HydrophobicContact CG2-CG2 3.77Å; I252-G345 PolarHBondContact N-O 2.91Å; I252-L346 HydrophobicContact CD1-CD2 3.87Å; I252-L346 HydrophobicContact CG1-CD2 3.28Å; I252-L346 VanDerWaalsContact O-CA 3.31Å; I252-L346 WeakPolarHBondContact O-CA 3.35Å; I252-M347 PolarHBondContact O-N 2.87Å
253	G	96.6	Very high	87.5	Confident	6 Å²	6	28.6 Å²	28.6	6%	0.062	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.8	167.5	0	0	0	0	0	110.9	F195 M347 M349	F195-G253 PolarHBondContact O-N 3.32Å; G253-M347 CarbonylContact C-O 3.53Å; G253-M347 WeakPolarHBondContact CA-O 3.37Å; G253-M349 VanDerWaalsContact CA-SD 3.53Å
254	L	94.2	Very high	89.5	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	126.4	-178.3	-176.6	66.7	0	0	0	110.7	L199 V333 I334 L346 M347 I348 M349	L199-L254 HydrophobicContact CD2-CD1 3.42Å; L199-L254 VanDerWaalsContact CD2-CD1 3.42Å; L254-V333 HydrophobicContact CD1-CG1 4.45Å; L254-I334 HydrophobicContact CD2-CG1 4.39Å; L254-L346 HydrophobicContact CB-CD2 4.3Å; L254-L346 HydrophobicContact CD2-CD1 4.24Å; L254-L346 HydrophobicContact CD2-CD2 4.48Å; L254-M347 PolarHBondContact N-O 3.21Å; L254-I348 WeakPolarHBondContact O-CA 3.11Å; L254-M349 PolarHBondContact O-N 2.98Å
255	S	92.3	Very high	91.4	Very high	12 Å²	12	29 Å²	29	8%	0.084	14%	0.136	C	C	.	.			trans	-87.8	107.4	165.8	-167.7	0	0	0	0	109	W209	W209-S255 PolarHBondContact NE1-O 3.13Å
256	I	92.4	Very high	93.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	13%	0.132	C	C	.	.			trans	-93.1	-15.9	-172.8	-169.3	161.4	0	0	0	113.7	L319 M330 I348 I362 I365 L366	I256-L319 WeakPolarHBondContact O-CD1 3.21Å; I256-M330 HydrophobicContact CB-CE 4.42Å; I256-M330 HydrophobicContact CG1-CE 3.85Å; I256-I348 HydrophobicContact CG2-CG2 3.91Å; I256-I362 HydrophobicContact CG2-CD1 4.24Å; I256-I362 HydrophobicContact CG2-CG1 4.26Å; I256-I362 HydrophobicContact CG2-CG2 4.46Å; I256-I365 HydrophobicContact CD1-CB 4.16Å; I256-I365 HydrophobicContact CD1-CD1 4.14Å; I256-I365 HydrophobicContact CD1-CG2 3.68Å; I256-I365 HydrophobicContact CG1-CD1 4.39Å; I256-L366 HydrophobicContact CD1-CD1 4.45Å; I256-L366 HydrophobicContact CD1-CD2 3.99Å; I256-L366 HydrophobicContact CD1-CG 4.1Å
257	Y	93.6	Very high	94.6	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.027	13%	0.126	C	C	.	.	S	Bend	trans	-104.3	-17.1	-167	66.7	-95.4	0	0	0	114	L318 L319 M349 N350 N353 I354	Y257-L318 HydrophobicContact CD2-CD2 3.86Å; Y257-L318 HydrophobicContact CE2-CD2 4.23Å; Y257-L319 PolarHBondContact O-N 2.67Å; Y257-M349 WeakPolarHBondContact CE1-O 3.35Å; Y257-N350 VanDerWaalsContact CE1-O 3.23Å; Y257-N350 WeakPolarHBondContact CE1-O 3.35Å; Y257-N350 VanDerWaalsContact CZ-O 3.23Å; Y257-N350 VanDerWaalsContact OH-CB 3.31Å; Y257-N350 WeakPolarHBondContact OH-CB 3.32Å; Y257-N350 PolarHBondContact OH-O 2.78Å; Y257-N353 HydrophobicContact CE2-CB 3.74Å; Y257-N353 PolarHBondContact OH-ND2 3.26Å; Y257-I354 HydrophobicContact CD1-CD1 4.07Å; Y257-I354 HydrophobicContact CD1-CG1 3.57Å; Y257-I354 HydrophobicContact CE1-CG1 4.06Å; Y257-I354 HydrophobicContact CG-CG1 3.97Å
258	A	95	Very high	95.2	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.033	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-146.1	158.7	-175.9	0	0	0	0	0	111.5	P317 L318	A258-P317 WeakPolarHBondContact CA-O 3.49Å; A258-P317 WeakPolarHBondContact CB-O 3.47Å; A258-L318 HydrophobicContact CB-CD2 3.95Å
259	T	96.9	Very high	95.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.126	C	C	.	.			trans	-124.8	169.7	171.9	70.2	0	0	0	0	110.2	W209 H263 Y281 S316 P317 L319	W209-T259 HydrophobicContact CH2-CG2 3.05Å; W209-T259 HydrophobicContact CZ2-CG2 3.37Å; W209-T259 HydrophobicContact CZ3-CG2 3.95Å; T259-H263 HydrophobicContact CG2-CB 4.23Å; T259-Y281 HydrophobicContact CG2-CE1 4.38Å; T259-Y281 WeakPolarHBondContact CG2-OH 3.33Å; T259-Y281 WeakPolarHBondContact OG1-CE1 3.33Å; T259-Y281 PolarHBondContact OG1-OH 3.47Å; T259-S316 CarbonylContact O-C 3.49Å; T259-S316 VanDerWaalsContact O-CA 3.31Å; T259-S316 WeakPolarHBondContact O-CA 3.37Å; T259-P317 PolarHBondContact N-O 3.45Å; T259-P317 WeakPolarHBondContact O-CD 3.12Å; T259-L319 HydrophobicContact CG2-CD1 4.36Å; T259-L319 HydrophobicContact CG2-CD2 4.2Å; T259-L319 HydrophobicContact CG2-CG 4.32Å
260	S	96.6	Very high	95.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.134	C	C	.	.			trans	-69.4	152.1	159.2	179.9	0	0	0	0	109.7	D202 I206 K262 H263 N315	D202-S260 WeakPolarHBondContact OD1-CB 3.25Å; D202-S260 PolarHBondContact OD1-OG 3.33Å; D202-S260 PolarHBondContact OD2-OG 2.67Å; I206-S260 WeakPolarHBondContact O-CB 3.35Å; I206-S260 PolarHBondContact O-N 3.37Å; S260-K262 PolarHBondContact O-N 3.02Å; S260-K262 VanDerWaalsContact O-N 3.16Å; S260-K262 PolarHBondContact OG-N 3.2Å; S260-H263 WeakPolarHBondContact O-CB 2.86Å; S260-H263 PolarHBondContact O-N 2.82Å; S260-N315 WeakPolarHBondContact CA-O 3.25Å
261	I	96.3	Very high	95.4	Very high	53 Å²	53	31.5 Å²	31.5	27%	0.272	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.3	168.5	54.5	164.6	0	0	0	112.9	H263 F266 N315 P317	I261-H263 PolarHBondContact O-N 3.01Å; I261-F266 HydrophobicContact CB-CD1 3.81Å; I261-F266 HydrophobicContact CB-CE1 3.91Å; I261-F266 HydrophobicContact CG2-CD1 3.93Å; I261-F266 HydrophobicContact CG2-CE1 3.64Å; I261-F266 HydrophobicContact CG2-CZ 4.07Å; I261-F266 WeakPolarHBondContact O-CD1 3.4Å; I261-N315 HydrophobicContact CD1-CB 4.34Å; I261-N315 WeakPolarHBondContact CD1-OD1 3.39Å; I261-N315 HydrophobicContact CG1-CB 4.22Å; I261-N315 PolarHBondContact N-O 3.39Å; I261-P317 HydrophobicContact CG2-CG 3.95Å
262	K	96.2	Very high	94.8	Very high	121 Å²	121	36 Å²	36	53%	0.526	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.8	175	-63.7	177.3	-171.7	154.2	0	112.9	D202 I207 S260	D202-K262 WeakPolarHBondContact OD2-CD 3.35Å; D202-K262 WeakPolarHBondContact OD2-CE 3.23Å; D202-K262 IonicContact OD2-NZ 2.97Å; D202-K262 PolarHBondContact OD2-NZ 3.45Å; I207-K262 HydrophobicContact CD1-CD 4.31Å; I207-K262 HydrophobicContact CG1-CB 4.32Å; S260-K262 PolarHBondContact O-N 3.02Å; S260-K262 VanDerWaalsContact O-N 3.16Å; S260-K262 PolarHBondContact OG-N 3.2Å
263	H	96.8	Very high	94.2	Very high	6 Å²	6	41 Å²	41	3%	0.028	20%	0.198	C	C	.	.	S	Bend	trans	-61.7	137.5	179.3	-164.5	-75.4	0	0	0	110.9	I206 I207 W209 T259 S260 I261 W265 F266 R267	I206-H263 PolarHBondContact O-CD2 3.08Å; I207-H263 WeakPolarHBondContact O-CA 2.92Å; I207-H263 PolarHBondContact O-CD2 3.13Å; I207-H263 PolarHBondContact O-NE2 3.33Å; W209-H263 AromaticContact CE3-CD2 3.9Å; W209-H263 AromaticContact CE3-CE1 3.6Å; W209-H263 AromaticContact CE3-NE2 3.06Å; W209-H263 AromaticContact CZ3-CD2 3.68Å; W209-H263 AromaticContact CZ3-CE1 3.17Å; W209-H263 WeakPolarHBondContact CZ3-CE1 3.31Å; W209-H263 AromaticContact CZ3-ND1 3.85Å; W209-H263 AromaticContact CZ3-NE2 3.03Å; W209-H263 WeakPolarHBondContact CZ3-NE2 2.99Å; T259-H263 HydrophobicContact CG2-CB 4.23Å; S260-H263 WeakPolarHBondContact O-CB 2.86Å; S260-H263 PolarHBondContact O-N 2.82Å; I261-H263 PolarHBondContact O-N 3.01Å; H263-W265 VanDerWaalsContact C-N 3.27Å; H263-W265 AromaticContact CE1-CD1 3.51Å; H263-W265 AromaticContact CE1-CD2 3.6Å; H263-W265 AromaticContact CE1-CE2 3.75Å; H263-W265 AromaticContact CE1-CG 3.41Å; H263-W265 VanDerWaalsContact CE1-CG 3.41Å; H263-W265 AromaticContact CE1-NE1 3.68Å; H263-W265 WeakPolarHBondContact ND1-CB 3.31Å; H263-W265 AromaticContact ND1-CD1 3.82Å; H263-W265 AromaticContact ND1-CD2 3.94Å; H263-W265 AromaticContact ND1-CG 3.43Å; H263-W265 PolarHBondContact ND1-N 2.93Å; H263-W265 PolarHBondContact O-N 2.82Å; H263-F266 PolarHBondContact O-N 2.8Å; H263-R267 PolarHBondContact O-N 2.62Å
264	E	95.9	Very high	93.6	Very high	115 Å²	115	48.7 Å²	48.7	54%	0.537	24%	0.238	S	C	.	.	H	α-helix	trans	-55	-44	-178.3	-176.3	-178.3	-179.2	0	0	111.7	F266 R267 L268	E264-F266 VanDerWaalsContact C-N 3.28Å; E264-F266 PolarHBondContact O-N 3.47Å; E264-R267 PolarHBondContact O-N 3.25Å; E264-R267 VanDerWaalsContact O-N 3.16Å; E264-L268 HydrophobicContact CG-CD1 3.82Å; E264-L268 HydrophobicContact CG-CG 4.15Å; E264-L268 WeakPolarHBondContact O-CB 3.44Å; E264-L268 WeakPolarHBondContact O-CG 3.49Å; E264-L268 PolarHBondContact O-N 2.82Å
265	W	96.2	Very high	93.2	Very high	22 Å²	22	50.5 Å²	50.5	8%	0.083	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-39.4	177.5	-58.2	-2	0	0	0	112.5	W209 H263 S269 Y277 F280 Y281 L319 K329 M330	W209-W265 HydrophobicContact CE3-CE3 4.35Å; W209-W265 AromaticContact CE3-CH2 3.62Å; W209-W265 HydrophobicContact CE3-CH2 3.62Å; W209-W265 AromaticContact CE3-CZ2 3.81Å; W209-W265 HydrophobicContact CE3-CZ2 3.81Å; W209-W265 AromaticContact CE3-CZ3 3.94Å; W209-W265 HydrophobicContact CE3-CZ3 3.94Å; W209-W265 HydrophobicContact CH2-CD2 4.18Å; W209-W265 AromaticContact CH2-CE3 3.4Å; W209-W265 HydrophobicContact CH2-CE3 3.4Å; W209-W265 VanDerWaalsContact CH2-CE3 3.4Å; W209-W265 AromaticContact CH2-CH2 3.77Å; W209-W265 HydrophobicContact CH2-CH2 3.77Å; W209-W265 HydrophobicContact CH2-CZ2 4.5Å; W209-W265 AromaticContact CH2-CZ3 3.18Å; W209-W265 HydrophobicContact CH2-CZ3 3.18Å; W209-W265 HydrophobicContact CZ2-CZ3 4.24Å; W209-W265 AromaticContact CZ3-CD2 3.53Å; W209-W265 HydrophobicContact CZ3-CD2 3.53Å; W209-W265 AromaticContact CZ3-CE2 3.69Å; W209-W265 AromaticContact CZ3-CE3 3.19Å; W209-W265 HydrophobicContact CZ3-CE3 3.19Å; W209-W265 HydrophobicContact CZ3-CG 4.46Å; W209-W265 AromaticContact CZ3-CH2 3.18Å; W209-W265 HydrophobicContact CZ3-CH2 3.18Å; W209-W265 AromaticContact CZ3-CZ2 3.54Å; W209-W265 HydrophobicContact CZ3-CZ2 3.54Å; W209-W265 AromaticContact CZ3-CZ3 3.02Å; W209-W265 HydrophobicContact CZ3-CZ3 3.02Å; H263-W265 VanDerWaalsContact C-N 3.27Å; H263-W265 AromaticContact CE1-CD1 3.51Å; H263-W265 AromaticContact CE1-CD2 3.6Å; H263-W265 AromaticContact CE1-CE2 3.75Å; H263-W265 AromaticContact CE1-CG 3.41Å; H263-W265 VanDerWaalsContact CE1-CG 3.41Å; H263-W265 AromaticContact CE1-NE1 3.68Å; H263-W265 WeakPolarHBondContact ND1-CB 3.31Å; H263-W265 AromaticContact ND1-CD1 3.82Å; H263-W265 AromaticContact ND1-CD2 3.94Å; H263-W265 AromaticContact ND1-CG 3.43Å; H263-W265 PolarHBondContact ND1-N 2.93Å; H263-W265 PolarHBondContact O-N 2.82Å; W265-S269 WeakPolarHBondContact O-CB 3.45Å; W265-S269 PolarHBondContact O-N 3.28Å; W265-Y277 HydrophobicContact CB-CD1 4.26Å; W265-Y277 AromaticContact CD1-CD1 3.83Å; W265-Y277 AromaticContact CD1-CE1 3.53Å; W265-Y277 HydrophobicContact CG-CD1 4.03Å; W265-Y277 HydrophobicContact CG-CE1 4.13Å; W265-Y277 AromaticContact NE1-CE1 3.84Å; W265-F280 HydrophobicContact CB-CD2 4Å; W265-F280 AromaticContact CD2-CD2 3.65Å; W265-F280 HydrophobicContact CD2-CD2 3.65Å; W265-F280 AromaticContact CD2-CE2 3.71Å; W265-F280 HydrophobicContact CD2-CE2 3.71Å; W265-F280 AromaticContact CE3-CD2 3.46Å; W265-F280 HydrophobicContact CE3-CD2 3.46Å; W265-F280 VanDerWaalsContact CE3-CD2 3.46Å; W265-F280 AromaticContact CE3-CE2 3.7Å; W265-F280 HydrophobicContact CE3-CE2 3.7Å; W265-F280 AromaticContact CG-CD2 3.89Å; W265-F280 HydrophobicContact CG-CD2 3.89Å; W265-F280 HydrophobicContact CG-CE2 4.16Å; W265-F280 HydrophobicContact CZ3-CD2 4.22Å; W265-F280 HydrophobicContact CZ3-CE2 4.15Å; W265-Y281 VanDerWaalsContact C-CE2 3.48Å; W265-Y281 HydrophobicContact CB-CE2 3.98Å; W265-L319 HydrophobicContact CE3-CD2 4.11Å; W265-L319 HydrophobicContact CZ3-CD2 4.44Å; W265-K329 HydrophobicContact CH2-CB 3.57Å; W265-K329 HydrophobicContact CH2-CG 4.46Å; W265-K329 HydrophobicContact CZ2-CB 3.85Å; W265-K329 HydrophobicContact CZ2-CD 4.32Å; W265-K329 HydrophobicContact CZ2-CG 4.33Å; W265-K329 HydrophobicContact CZ3-CB 4.31Å; W265-M330 HydrophobicContact CH2-SD 3.89Å; W265-M330 HydrophobicContact CZ3-SD 3.9Å
266	F	96.7	Very high	93.2	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-67.6	-45.6	178.3	-173.1	-104.2	0	0	0	110.4	I261 H263 E264 L268 S269 Q270 Y281 W283 Y307 P317	I261-F266 HydrophobicContact CB-CD1 3.81Å; I261-F266 HydrophobicContact CB-CE1 3.91Å; I261-F266 HydrophobicContact CG2-CD1 3.93Å; I261-F266 HydrophobicContact CG2-CE1 3.64Å; I261-F266 HydrophobicContact CG2-CZ 4.07Å; I261-F266 WeakPolarHBondContact O-CD1 3.4Å; H263-F266 PolarHBondContact O-N 2.8Å; E264-F266 VanDerWaalsContact C-N 3.28Å; E264-F266 PolarHBondContact O-N 3.47Å; F266-L268 VanDerWaalsContact C-N 3.35Å; F266-L268 PolarHBondContact O-N 3.46Å; F266-S269 CarbonylContact O-C 3.6Å; F266-S269 WeakPolarHBondContact O-CB 3.25Å; F266-S269 PolarHBondContact O-N 2.97Å; F266-Q270 VanDerWaalsContact O-CB 3.25Å; F266-Q270 WeakPolarHBondContact O-CB 3.33Å; F266-Q270 PolarHBondContact O-N 2.92Å; F266-Y281 HydrophobicContact CB-CE1 4.26Å; F266-Y281 HydrophobicContact CB-CE2 3.88Å; F266-Y281 WeakPolarHBondContact CB-OH 3.24Å; F266-Y281 AromaticContact CD2-CD1 3.86Å; F266-Y281 HydrophobicContact CD2-CD1 3.86Å; F266-Y281 HydrophobicContact CD2-CD2 4.01Å; F266-Y281 AromaticContact CD2-CE1 3.82Å; F266-Y281 HydrophobicContact CD2-CE1 3.82Å; F266-Y281 HydrophobicContact CD2-CE2 4.03Å; F266-Y281 AromaticContact CD2-CG 3.93Å; F266-Y281 HydrophobicContact CD2-CG 3.93Å; F266-Y281 AromaticContact CD2-CZ 3.91Å; F266-Y281 HydrophobicContact CE2-CD1 4.48Å; F266-Y281 HydrophobicContact CE2-CG 4.5Å; F266-Y281 HydrophobicContact CG-CE2 4.47Å; F266-Y281 PolarHBondContact N-OH 2.94Å; F266-W283 HydrophobicContact CE2-CH2 4.15Å; F266-W283 AromaticContact CE2-CZ2 3.91Å; F266-W283 HydrophobicContact CE2-CZ2 3.91Å; F266-W283 HydrophobicContact CZ-CH2 4.13Å; F266-W283 HydrophobicContact CZ-CZ2 4.31Å; F266-Y307 HydrophobicContact CE2-CD2 4.13Å; F266-Y307 HydrophobicContact CE2-CE2 4.34Å; F266-Y307 HydrophobicContact CE2-CG 4.28Å; F266-Y307 HydrophobicContact CZ-CD1 4.3Å; F266-Y307 HydrophobicContact CZ-CD2 4.31Å; F266-Y307 HydrophobicContact CZ-CE1 4.18Å; F266-Y307 HydrophobicContact CZ-CE2 4.18Å; F266-Y307 HydrophobicContact CZ-CG 4.37Å; F266-P317 HydrophobicContact CB-CG 4.42Å; F266-P317 HydrophobicContact CD2-CB 3.56Å; F266-P317 HydrophobicContact CD2-CG 3.41Å; F266-P317 VanDerWaalsContact CD2-CG 3.41Å; F266-P317 HydrophobicContact CE2-CB 3.43Å; F266-P317 VanDerWaalsContact CE2-CB 3.43Å; F266-P317 HydrophobicContact CE2-CG 3.69Å; F266-P317 HydrophobicContact CG-CB 4.48Å; F266-P317 HydrophobicContact CG-CG 3.87Å; F266-P317 HydrophobicContact CZ-CB 4.27Å; F266-P317 HydrophobicContact CZ-CG 4.34Å
267	R	94.9	Very high	93.3	Very high	169 Å²	169	56.5 Å²	56.5	64%	0.638	28%	0.277	S	S	*	.	H	α-helix	trans	-59.7	-43.3	176.7	-66.1	-179.7	59.3	-175.5	-4	112.3	H263 E264 Q270 S271	H263-R267 PolarHBondContact O-N 2.62Å; E264-R267 PolarHBondContact O-N 3.25Å; E264-R267 VanDerWaalsContact O-N 3.16Å; R267-Q270 WeakPolarHBondContact O-CB 3.43Å; R267-Q270 PolarHBondContact O-N 3.3Å; R267-S271 PolarHBondContact O-N 2.83Å
268	L	95.3	Very high	93.3	Very high	50 Å²	50	57 Å²	57	26%	0.262	28%	0.281	S	S	.	.	H	α-helix	trans	-67.6	-42.1	176.9	-68.9	176.7	0	0	0	111.4	E264 F266 Q270 S271 Y277	E264-L268 HydrophobicContact CG-CD1 3.82Å; E264-L268 HydrophobicContact CG-CG 4.15Å; E264-L268 WeakPolarHBondContact O-CB 3.44Å; E264-L268 WeakPolarHBondContact O-CG 3.49Å; E264-L268 PolarHBondContact O-N 2.82Å; F266-L268 VanDerWaalsContact C-N 3.35Å; F266-L268 PolarHBondContact O-N 3.46Å; L268-Q270 VanDerWaalsContact C-N 3.34Å; L268-Q270 PolarHBondContact O-N 3.46Å; L268-S271 PolarHBondContact O-N 3.39Å; L268-S271 PolarHBondContact O-OG 2.04Å; L268-Y277 HydrophobicContact CB-CD2 4.09Å; L268-Y277 HydrophobicContact CB-CG 3.94Å; L268-Y277 HydrophobicContact CD1-CD1 4.29Å; L268-Y277 HydrophobicContact CD1-CD2 3.52Å; L268-Y277 HydrophobicContact CD1-CE1 4.37Å; L268-Y277 HydrophobicContact CD1-CE2 3.63Å; L268-Y277 HydrophobicContact CD1-CG 3.87Å; L268-Y277 HydrophobicContact CG-CD2 4.42Å
269	S	96.3	Very high	93.3	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-44.2	173.2	-175.7	0	0	0	0	111	W265 F266 S271 N272 Y277 W283 R303	W265-S269 WeakPolarHBondContact O-CB 3.45Å; W265-S269 PolarHBondContact O-N 3.28Å; F266-S269 CarbonylContact O-C 3.6Å; F266-S269 WeakPolarHBondContact O-CB 3.25Å; F266-S269 PolarHBondContact O-N 2.97Å; S269-S271 PolarHBondContact O-N 3.02Å; S269-N272 PolarHBondContact O-N 3.47Å; S269-N272 VanDerWaalsContact O-N 3.1Å; S269-Y277 WeakPolarHBondContact CB-O 3.31Å; S269-Y277 PolarHBondContact OG-O 3.49Å; S269-W283 PolarHBondContact OG-NE1 3Å; S269-R303 PolarHBondContact O-NH1 3.39Å; S269-R303 PolarHBondContact OG-NH1 3.33Å
270	Q	94.4	Very high	93.3	Very high	37 Å²	37	60 Å²	60	17%	0.173	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-35	-177.9	-168.7	-173.1	35.6	0	0	112.4	F266 R267 L268 N272 D300 I302 R303	F266-Q270 VanDerWaalsContact O-CB 3.25Å; F266-Q270 WeakPolarHBondContact O-CB 3.33Å; F266-Q270 PolarHBondContact O-N 2.92Å; R267-Q270 WeakPolarHBondContact O-CB 3.43Å; R267-Q270 PolarHBondContact O-N 3.3Å; L268-Q270 VanDerWaalsContact C-N 3.34Å; L268-Q270 PolarHBondContact O-N 3.46Å; Q270-N272 PolarHBondContact O-N 2.98Å; Q270-N272 VanDerWaalsContact O-N 3.13Å; Q270-D300 WeakPolarHBondContact CG-OD2 3.3Å; Q270-D300 PolarHBondContact NE2-OD1 3.19Å; Q270-D300 PolarHBondContact NE2-OD2 2.92Å; Q270-I302 HydrophobicContact CG-CB 3.88Å; Q270-I302 HydrophobicContact CG-CG2 4Å; Q270-R303 WeakPolarHBondContact O-CB 3.28Å
271	S	91.2	Very high	93.3	Very high	48 Å²	48	60.2 Å²	60.2	34%	0.336	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.9	178.4	74.5	0	0	0	0	114.4	R267 L268 S269 I273	R267-S271 PolarHBondContact O-N 2.83Å; L268-S271 PolarHBondContact O-N 3.39Å; L268-S271 PolarHBondContact O-OG 2.04Å; S269-S271 PolarHBondContact O-N 3.02Å; S271-I273 PolarHBondContact O-N 3.39Å; S271-I273 WeakPolarHBondContact OG-CG1 3.47Å; S271-I273 PolarHBondContact OG-N 3.11Å
272	N	85.6	Confident	93.2	Very high	95 Å²	95	59.2 Å²	59.2	51%	0.508	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	25.2	-175.4	-160	31.7	0	0	0	114	S269 Q270 R303	S269-N272 PolarHBondContact O-N 3.47Å; S269-N272 VanDerWaalsContact O-N 3.1Å; Q270-N272 PolarHBondContact O-N 2.98Å; Q270-N272 VanDerWaalsContact O-N 3.13Å; N272-R303 HydrophobicContact CB-CG 4.18Å; N272-R303 PolarHBondContact OD1-NH2 3.05Å
273	I	84.1	Confident	93.1	Very high	107 Å²	107	55.4 Å²	55.4	55%	0.549	28%	0.278	S	S	.	.			trans	-70.8	143	170.5	-63.6	170.1	0	0	0	107.5	S271 N275	S271-I273 PolarHBondContact O-N 3.39Å; S271-I273 WeakPolarHBondContact OG-CG1 3.47Å; S271-I273 PolarHBondContact OG-N 3.11Å; I273-N275 PolarHBondContact O-N 2.82Å; I273-N275 PolarHBondContact O-OD1 3.32Å
274	N	84.5	Confident	93	Very high	166 Å²	166	56.9 Å²	56.9	89%	0.888	29%	0.287	S	S	*	.	S	Bend	trans	-66.5	82.9	178.6	-165.9	13.6	0	0	0	110.7
275	N	86.9	Confident	92.9	Very high	43 Å²	43	58.2 Å²	58.2	23%	0.23	30%	0.298	C	S	.	.	S	Bend	trans	-138.6	168	178.2	67.7	27.7	0	0	0	109.2	I273 Y277 S278	I273-N275 PolarHBondContact O-N 2.82Å; I273-N275 PolarHBondContact O-OD1 3.32Å; N275-Y277 PolarHBondContact O-N 3.44Å; N275-Y277 WeakPolarHBondContact OD1-CA 3.48Å; N275-Y277 WeakPolarHBondContact OD1-CB 3.21Å; N275-Y277 PolarHBondContact OD1-N 2.9Å; N275-Y277 VanDerWaalsContact OD1-N 3.07Å; N275-S278 WeakPolarHBondContact O-CB 3.19Å; N275-S278 PolarHBondContact O-N 3.46Å; N275-S278 PolarHBondContact O-OG 2.72Å; N275-S278 PolarHBondContact OD1-N 3.4Å
276	V	92.1	Very high	92.8	Very high	78 Å²	78	63.5 Å²	63.5	47%	0.473	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-60.3	-32.3	-179	177	0	0	0	0	111.8	S278 T279 F280 D325	V276-S278 VanDerWaalsContact C-N 3.31Å; V276-S278 PolarHBondContact O-N 2.92Å; V276-T279 PolarHBondContact O-OG1 3.35Å; V276-F280 HydrophobicContact CG1-CE1 3.7Å; V276-F280 HydrophobicContact CG1-CZ 4.14Å; V276-F280 WeakPolarHBondContact O-CD1 3.36Å; V276-F280 VanDerWaalsContact O-CE1 3.28Å; V276-F280 WeakPolarHBondContact O-CE1 3.46Å; V276-D325 HydrophobicContact CG1-CB 3.63Å
277	Y	94.3	Very high	92.6	Very high	61 Å²	61	69.2 Å²	69.2	24%	0.239	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-71.1	-20	-179.3	-55	-77.9	0	0	0	114.3	W265 L268 S269 N275 T279 F280	W265-Y277 HydrophobicContact CB-CD1 4.26Å; W265-Y277 AromaticContact CD1-CD1 3.83Å; W265-Y277 AromaticContact CD1-CE1 3.53Å; W265-Y277 HydrophobicContact CG-CD1 4.03Å; W265-Y277 HydrophobicContact CG-CE1 4.13Å; W265-Y277 AromaticContact NE1-CE1 3.84Å; L268-Y277 HydrophobicContact CB-CD2 4.09Å; L268-Y277 HydrophobicContact CB-CG 3.94Å; L268-Y277 HydrophobicContact CD1-CD1 4.29Å; L268-Y277 HydrophobicContact CD1-CD2 3.52Å; L268-Y277 HydrophobicContact CD1-CE1 4.37Å; L268-Y277 HydrophobicContact CD1-CE2 3.63Å; L268-Y277 HydrophobicContact CD1-CG 3.87Å; L268-Y277 HydrophobicContact CG-CD2 4.42Å; S269-Y277 WeakPolarHBondContact CB-O 3.31Å; S269-Y277 PolarHBondContact OG-O 3.49Å; N275-Y277 PolarHBondContact O-N 3.44Å; N275-Y277 WeakPolarHBondContact OD1-CA 3.48Å; N275-Y277 WeakPolarHBondContact OD1-CB 3.21Å; N275-Y277 PolarHBondContact OD1-N 2.9Å; N275-Y277 VanDerWaalsContact OD1-N 3.07Å; Y277-T279 PolarHBondContact O-N 2.88Å; Y277-F280 AromaticContact CD1-CD2 3.77Å; Y277-F280 HydrophobicContact CD1-CD2 3.77Å; Y277-F280 AromaticContact CD1-CE2 3.59Å; Y277-F280 HydrophobicContact CD1-CE2 3.59Å; Y277-F280 HydrophobicContact CD1-CG 4.32Å; Y277-F280 AromaticContact CD1-CZ 3.99Å; Y277-F280 HydrophobicContact CD1-CZ 3.99Å; Y277-F280 HydrophobicContact CE1-CD2 4.46Å; Y277-F280 AromaticContact CE1-CE2 3.88Å; Y277-F280 HydrophobicContact CE1-CE2 3.88Å; Y277-F280 HydrophobicContact CE1-CZ 4.26Å; Y277-F280 WeakPolarHBondContact O-CB 3.25Å; Y277-F280 PolarHBondContact O-N 2.88Å
278	S	93.4	Very high	92.4	Very high	17 Å²	17	61.6 Å²	61.6	12%	0.119	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-55.8	-23	-177.5	64.3	0	0	0	0	114.4	N275 V276 R303	N275-S278 WeakPolarHBondContact O-CB 3.19Å; N275-S278 PolarHBondContact O-N 3.46Å; N275-S278 PolarHBondContact O-OG 2.72Å; N275-S278 PolarHBondContact OD1-N 3.4Å; V276-S278 VanDerWaalsContact C-N 3.31Å; V276-S278 PolarHBondContact O-N 2.92Å; S278-R303 PolarHBondContact O-NH1 3.34Å; S278-R303 PolarHBondContact O-NH2 2.87Å
279	T	94.3	Very high	92.2	Very high	67 Å²	67	63.9 Å²	63.9	41%	0.411	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-115.2	13.4	-177.4	57.3	0	0	0	0	113.2	V276 Y277 Y281 N320 N323	V276-T279 PolarHBondContact O-OG1 3.35Å; Y277-T279 PolarHBondContact O-N 2.88Å; T279-Y281 VanDerWaalsContact C-N 3.28Å; T279-Y281 PolarHBondContact O-N 3.18Å; T279-N320 PolarHBondContact O-ND2 2.63Å; T279-N323 PolarHBondContact O-ND2 3.09Å; T279-N323 VanDerWaalsContact O-ND2 3.07Å; T279-N323 PolarHBondContact OG1-ND2 3.27Å
280	F	96.8	Very high	92	Very high	1 Å²	1	66.9 Å²	66.9	0%	0.004	36%	0.364	C	S	.	.	S	Bend	trans	-73.4	-20.7	-178.8	-87.3	30.3	0	0	0	113.5	W265 V276 Y277 L319 N320 D325 V326 K329	W265-F280 HydrophobicContact CB-CD2 4Å; W265-F280 AromaticContact CD2-CD2 3.65Å; W265-F280 HydrophobicContact CD2-CD2 3.65Å; W265-F280 AromaticContact CD2-CE2 3.71Å; W265-F280 HydrophobicContact CD2-CE2 3.71Å; W265-F280 AromaticContact CE3-CD2 3.46Å; W265-F280 HydrophobicContact CE3-CD2 3.46Å; W265-F280 VanDerWaalsContact CE3-CD2 3.46Å; W265-F280 AromaticContact CE3-CE2 3.7Å; W265-F280 HydrophobicContact CE3-CE2 3.7Å; W265-F280 AromaticContact CG-CD2 3.89Å; W265-F280 HydrophobicContact CG-CD2 3.89Å; W265-F280 HydrophobicContact CG-CE2 4.16Å; W265-F280 HydrophobicContact CZ3-CD2 4.22Å; W265-F280 HydrophobicContact CZ3-CE2 4.15Å; V276-F280 HydrophobicContact CG1-CE1 3.7Å; V276-F280 HydrophobicContact CG1-CZ 4.14Å; V276-F280 WeakPolarHBondContact O-CD1 3.36Å; V276-F280 VanDerWaalsContact O-CE1 3.28Å; V276-F280 WeakPolarHBondContact O-CE1 3.46Å; Y277-F280 AromaticContact CD1-CD2 3.77Å; Y277-F280 HydrophobicContact CD1-CD2 3.77Å; Y277-F280 AromaticContact CD1-CE2 3.59Å; Y277-F280 HydrophobicContact CD1-CE2 3.59Å; Y277-F280 HydrophobicContact CD1-CG 4.32Å; Y277-F280 AromaticContact CD1-CZ 3.99Å; Y277-F280 HydrophobicContact CD1-CZ 3.99Å; Y277-F280 HydrophobicContact CE1-CD2 4.46Å; Y277-F280 AromaticContact CE1-CE2 3.88Å; Y277-F280 HydrophobicContact CE1-CE2 3.88Å; Y277-F280 HydrophobicContact CE1-CZ 4.26Å; Y277-F280 WeakPolarHBondContact O-CB 3.25Å; Y277-F280 PolarHBondContact O-N 2.88Å; F280-L319 CarbonylContact O-C 3.6Å; F280-L319 WeakPolarHBondContact O-CA 3.49Å; F280-N320 PolarHBondContact O-N 2.87Å; F280-D325 HydrophobicContact CE1-CB 3.76Å; F280-D325 HydrophobicContact CZ-CB 4.28Å; F280-V326 HydrophobicContact CB-CG2 3.96Å; F280-V326 HydrophobicContact CD1-CG2 3.53Å; F280-V326 HydrophobicContact CD2-CG2 4.04Å; F280-V326 HydrophobicContact CE1-CG2 3.91Å; F280-V326 HydrophobicContact CE2-CG2 4.39Å; F280-V326 HydrophobicContact CG-CG2 3.59Å; F280-V326 HydrophobicContact CZ-CG2 4.34Å; F280-K329 HydrophobicContact CE2-CG 4.1Å; F280-K329 HydrophobicContact CZ-CG 3.94Å
281	Y	96.6	Very high	91.6	Very high	4 Å²	4	70.7 Å²	70.7	2%	0.016	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-120.4	162.4	178.7	-61.4	-94.2	0	0	0	110.6	T259 W265 F266 T279 W283 P317 L318 L319	T259-Y281 HydrophobicContact CG2-CE1 4.38Å; T259-Y281 WeakPolarHBondContact CG2-OH 3.33Å; T259-Y281 WeakPolarHBondContact OG1-CE1 3.33Å; T259-Y281 PolarHBondContact OG1-OH 3.47Å; W265-Y281 VanDerWaalsContact C-CE2 3.48Å; W265-Y281 HydrophobicContact CB-CE2 3.98Å; F266-Y281 HydrophobicContact CB-CE1 4.26Å; F266-Y281 HydrophobicContact CB-CE2 3.88Å; F266-Y281 WeakPolarHBondContact CB-OH 3.24Å; F266-Y281 AromaticContact CD2-CD1 3.86Å; F266-Y281 HydrophobicContact CD2-CD1 3.86Å; F266-Y281 HydrophobicContact CD2-CD2 4.01Å; F266-Y281 AromaticContact CD2-CE1 3.82Å; F266-Y281 HydrophobicContact CD2-CE1 3.82Å; F266-Y281 HydrophobicContact CD2-CE2 4.03Å; F266-Y281 AromaticContact CD2-CG 3.93Å; F266-Y281 HydrophobicContact CD2-CG 3.93Å; F266-Y281 AromaticContact CD2-CZ 3.91Å; F266-Y281 HydrophobicContact CE2-CD1 4.48Å; F266-Y281 HydrophobicContact CE2-CG 4.5Å; F266-Y281 HydrophobicContact CG-CE2 4.47Å; F266-Y281 PolarHBondContact N-OH 2.94Å; T279-Y281 VanDerWaalsContact C-N 3.28Å; T279-Y281 PolarHBondContact O-N 3.18Å; Y281-W283 VanDerWaalsContact O-CD1 3.25Å; Y281-W283 PolarHBondContact O-N 3.29Å; Y281-P317 HydrophobicContact CD1-CB 3.65Å; Y281-P317 HydrophobicContact CD1-CG 4.14Å; Y281-P317 HydrophobicContact CE1-CB 3.81Å; Y281-P317 HydrophobicContact CE1-CG 3.76Å; Y281-L318 WeakPolarHBondContact CA-O 3.08Å; Y281-L318 VanDerWaalsContact CD1-O 3.31Å; Y281-L318 WeakPolarHBondContact CD1-O 3.38Å; Y281-L319 HydrophobicContact CD1-CD2 4.3Å; Y281-L319 HydrophobicContact CE1-CD2 3.83Å; Y281-L319 HydrophobicContact CE1-CG 4.48Å; Y281-L319 HydrophobicContact CE2-CD2 4.33Å
282	I	94.7	Very high	91.4	Very high	33 Å²	33	75.1 Å²	75.1	17%	0.169	40%	0.401	C	S	.	.			trans	-86.6	101.3	-177.6	-55.7	169	0	0	0	108.8	Y307 R308 L318 N320 M358	I282-Y307 CarbonylContact O-C 3.54Å; I282-Y307 VanDerWaalsContact O-CA 3.25Å; I282-Y307 WeakPolarHBondContact O-CA 3.44Å; I282-R308 HydrophobicContact CB-CB 3.88Å; I282-R308 HydrophobicContact CD1-CB 4.41Å; I282-R308 HydrophobicContact CG2-CB 4.05Å; I282-R308 PolarHBondContact O-N 3.28Å; I282-L318 HydrophobicContact CD1-CB 4.33Å; I282-L318 PolarHBondContact N-O 2.96Å; I282-N320 HydrophobicContact CG1-CB 4.03Å; I282-M358 HydrophobicContact CD1-CE 4.38Å
283	W	95	Very high	91.4	Very high	41 Å²	41	74.4 Å²	74.4	16%	0.155	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	147.8	178.8	-64.8	95.5	0	0	0	112.2	F266 S269 Y281 D300 R303 A305 Y306 Y307	F266-W283 HydrophobicContact CE2-CH2 4.15Å; F266-W283 AromaticContact CE2-CZ2 3.91Å; F266-W283 HydrophobicContact CE2-CZ2 3.91Å; F266-W283 HydrophobicContact CZ-CH2 4.13Å; F266-W283 HydrophobicContact CZ-CZ2 4.31Å; S269-W283 PolarHBondContact OG-NE1 3Å; Y281-W283 VanDerWaalsContact O-CD1 3.25Å; Y281-W283 PolarHBondContact O-N 3.29Å; W283-D300 HydrophobicContact CH2-CB 3.87Å; W283-D300 HydrophobicContact CZ3-CB 3.65Å; W283-R303 HydrophobicContact CE3-CB 4.47Å; W283-R303 HydrophobicContact CE3-CG 4.16Å; W283-R303 HydrophobicContact CH2-CB 4.09Å; W283-R303 HydrophobicContact CH2-CG 4.43Å; W283-R303 HydrophobicContact CZ3-CB 3.92Å; W283-R303 HydrophobicContact CZ3-CG 4.12Å; W283-R303 VanDerWaalsContact NE1-NH1 3.18Å; W283-A305 HydrophobicContact CE3-CB 3.87Å; W283-A305 HydrophobicContact CZ3-CB 4.44Å; W283-Y306 CarbonylContact C-O 3.59Å; W283-Y306 WeakPolarHBondContact CA-O 3.39Å; W283-Y307 AromaticContact CH2-CD1 3.97Å; W283-Y307 HydrophobicContact CH2-CD1 3.97Å; W283-Y307 HydrophobicContact CH2-CG 4.22Å; W283-Y307 AromaticContact CZ3-CD1 3.78Å; W283-Y307 HydrophobicContact CZ3-CD1 3.78Å; W283-Y307 HydrophobicContact CZ3-CG 4.12Å
284	T	94.1	Very high	91.5	Very high	37 Å²	37	74.7 Å²	74.7	23%	0.227	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	140.2	172.2	-178.3	0	0	0	0	111.4	I286 Y297 Y306	T284-I286 VanDerWaalsContact C-N 3.32Å; T284-I286 PolarHBondContact OG1-N 3.33Å; T284-I286 VanDerWaalsContact OG1-N 3.13Å; T284-Y297 HydrophobicContact CG2-CD1 3.87Å; T284-Y297 HydrophobicContact CG2-CE1 3.75Å; T284-Y306 PolarHBondContact N-O 2.93Å; T284-Y306 PolarHBondContact O-N 3.12Å
285	N	94.4	Very high	91.7	Very high	142 Å²	142	74.5 Å²	74.5	76%	0.759	38%	0.379	S	S	*	.	S	Bend	trans	-86.8	-8.2	172.3	-64.6	-19.6	0	0	0	112.1
286	I	93.7	Very high	91.9	Very high	133 Å²	133	74.5 Å²	74.5	68%	0.682	38%	0.377	S	S	*	.	S	Bend	trans	-83.5	122	-179.2	-57.9	171.3	0	0	0	108.1	T284	T284-I286 VanDerWaalsContact C-N 3.32Å; T284-I286 PolarHBondContact OG1-N 3.33Å; T284-I286 VanDerWaalsContact OG1-N 3.13Å
287	E	92.5	Very high	92	Very high	125 Å²	125	73.2 Å²	73.2	58%	0.584	37%	0.365	S	S	*	.			trans	-63.1	130.6	173.6	179.4	167.1	-162.3	0	0	110.7	S289 Y306	E287-S289 PolarHBondContact O-N 3.32Å; E287-S289 VanDerWaalsContact O-N 3.11Å; E287-Y306 HydrophobicContact CB-CE2 3.93Å; E287-Y306 HydrophobicContact CG-CE2 4.3Å; E287-Y306 WeakPolarHBondContact CG-OH 3.43Å
288	P	91.1	Very high	92	Very high	9 Å²	9	71.1 Å²	71.1	6%	0.058	36%	0.359	C	S	.	.			trans	-53	113.2	172.3	-30.7	38.3	0	0	0	112.6	Q293 K294 Y297 Y306	P288-Q293 HydrophobicContact CB-CB 3.68Å; P288-K294 HydrophobicContact CB-CB 4.49Å; P288-K294 HydrophobicContact CB-CG 3.75Å; P288-K294 VanDerWaalsContact O-CE 3.28Å; P288-K294 WeakPolarHBondContact O-CE 3.38Å; P288-Y297 HydrophobicContact CG-CD2 4.44Å; P288-Y297 HydrophobicContact CG-CG 4.17Å; P288-Y306 HydrophobicContact CG-CD1 3.98Å; P288-Y306 HydrophobicContact CG-CE1 4.29Å; P288-Y306 HydrophobicContact CG-CG 4.4Å
289	S	90.7	Very high	92.2	Very high	98 Å²	98	76.2 Å²	76.2	69%	0.685	38%	0.377	S	S	*	.			trans	-83.5	-24.9	-174.3	61.9	0	0	0	0	113.3	E287 Q293	E287-S289 PolarHBondContact O-N 3.32Å; E287-S289 VanDerWaalsContact O-N 3.11Å; S289-Q293 PolarHBondContact OG-OE1 2.84Å
290	T	90.8	Very high	92.3	Very high	63 Å²	63	73.7 Å²	73.7	39%	0.387	36%	0.361	S	S	.	.	S	Bend	trans	-108.9	151.4	-179.6	70.6	0	0	0	0	112.1	Q292 Q293 K294	T290-Q292 PolarHBondContact O-N 3.06Å; T290-Q293 PolarHBondContact O-N 3.02Å; T290-Q293 WeakPolarHBondContact OG1-CG 3.21Å; T290-Q293 PolarHBondContact OG1-N 3.48Å; T290-K294 WeakPolarHBondContact O-CG 3.37Å; T290-K294 PolarHBondContact O-N 2.99Å
291	D	86.9	Confident	92.1	Very high	117 Å²	117	78 Å²	78	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-58.9	-30.2	175.4	-67.9	-23.3	0	0	0	112.4	R295	D291-R295 WeakPolarHBondContact O-CG 3.34Å; D291-R295 PolarHBondContact O-N 2.94Å
292	Q	86.3	Confident	92	Very high	141 Å²	141	83 Å²	83	66%	0.659	42%	0.417	S	S	*	.	H	α-helix	trans	-65.3	-47.4	173.6	-175.4	179.4	-2.9	0	0	111.2	T290 K294 R295 H296	T290-Q292 PolarHBondContact O-N 3.06Å; Q292-K294 VanDerWaalsContact C-N 3.32Å; Q292-K294 PolarHBondContact O-N 3.15Å; Q292-R295 PolarHBondContact O-N 3.43Å; Q292-H296 PolarHBondContact O-CD2 3.3Å
293	Q	86.1	Confident	92	Very high	80 Å²	80	83.4 Å²	83.4	37%	0.374	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-39.3	177.6	-70.4	174.1	-14.8	0	0	111.3	P288 S289 T290 R295 H296 Y297	P288-Q293 HydrophobicContact CB-CB 3.68Å; S289-Q293 PolarHBondContact OG-OE1 2.84Å; T290-Q293 PolarHBondContact O-N 3.02Å; T290-Q293 WeakPolarHBondContact OG1-CG 3.21Å; T290-Q293 PolarHBondContact OG1-N 3.48Å; Q293-R295 PolarHBondContact O-N 2.98Å; Q293-R295 VanDerWaalsContact O-N 3.1Å; Q293-H296 PolarHBondContact O-N 3.14Å; Q293-Y297 WeakPolarHBondContact O-CD2 3.49Å; Q293-Y297 PolarHBondContact O-N 3.27Å; Q293-Y297 VanDerWaalsContact O-N 3.14Å
294	K	87	Confident	92	Very high	112 Å²	112	90.6 Å²	90.6	49%	0.487	44%	0.443	S	S	.	.	H	α-helix	trans	-59.2	-21.1	176.6	-70.5	176.4	-177.2	173.8	0	113.9	P288 T290 Q292	P288-K294 HydrophobicContact CB-CB 4.49Å; P288-K294 HydrophobicContact CB-CG 3.75Å; P288-K294 VanDerWaalsContact O-CE 3.28Å; P288-K294 WeakPolarHBondContact O-CE 3.38Å; T290-K294 WeakPolarHBondContact O-CG 3.37Å; T290-K294 PolarHBondContact O-N 2.99Å; Q292-K294 VanDerWaalsContact C-N 3.32Å; Q292-K294 PolarHBondContact O-N 3.15Å
295	R	88.4	Confident	92.1	Very high	163 Å²	163	88.9 Å²	88.9	62%	0.615	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.2	174.9	-67.4	175.1	-169.3	-167.4	3.1	114.2	D291 Q292 Q293 H309	D291-R295 WeakPolarHBondContact O-CG 3.34Å; D291-R295 PolarHBondContact O-N 2.94Å; Q292-R295 PolarHBondContact O-N 3.43Å; Q293-R295 PolarHBondContact O-N 2.98Å; Q293-R295 VanDerWaalsContact O-N 3.1Å; R295-H309 PolarHBondContact O-CE1 3.18Å; R295-H309 VanDerWaalsContact O-CE1 3.24Å
296	H	90.2	Very high	92.2	Very high	42 Å²	42	84.2 Å²	84.2	19%	0.194	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-10.9	-176.4	-65.1	-63.2	0	0	0	113.4	Q292 Q293 R308 H309 H311	Q292-H296 PolarHBondContact O-CD2 3.3Å; Q293-H296 PolarHBondContact O-N 3.14Å; H296-R308 WeakPolarHBondContact O-CA 3.46Å; H296-H309 PolarHBondContact O-CD2 2.95Å; H296-H309 PolarHBondContact O-N 3.5Å; H296-H311 AromaticContact CE1-ND1 3.25Å; H296-H311 PolarHBondContact CE1-ND1 3.19Å; H296-H311 VanDerWaalsContact CE1-ND1 3.25Å; H296-H311 AromaticContact ND1-ND1 3.72Å
297	Y	94.4	Very high	92.3	Very high	52 Å²	52	78.6 Å²	78.6	20%	0.204	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.8	-177.2	-74.4	-86.5	0	0	0	110.6	T284 P288 Q293 Y307 R308 H309	T284-Y297 HydrophobicContact CG2-CD1 3.87Å; T284-Y297 HydrophobicContact CG2-CE1 3.75Å; P288-Y297 HydrophobicContact CG-CD2 4.44Å; P288-Y297 HydrophobicContact CG-CG 4.17Å; Q293-Y297 WeakPolarHBondContact O-CD2 3.49Å; Q293-Y297 PolarHBondContact O-N 3.27Å; Q293-Y297 VanDerWaalsContact O-N 3.14Å; Y297-Y307 VanDerWaalsContact CA-O 3.27Å; Y297-Y307 WeakPolarHBondContact CA-O 3.33Å; Y297-R308 HydrophobicContact CD1-CB 4.2Å; Y297-R308 HydrophobicContact CE1-CB 3.73Å; Y297-R308 HydrophobicContact CE1-CG 4.07Å; Y297-R308 HydrophobicContact CE2-CG 4.37Å; Y297-H309 PolarHBondContact N-NE2 3.46Å
298	A	95.2	Very high	92.4	Very high	16 Å²	16	74.6 Å²	74.6	13%	0.132	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142	174.6	0	0	0	0	0	109.6	Y306 Y307 H309 P314	A298-Y306 CarbonylContact O-C 3.51Å; A298-Y306 VanDerWaalsContact O-CA 3.22Å; A298-Y306 WeakPolarHBondContact O-CA 3.07Å; A298-Y307 HydrophobicContact CB-CD1 4.46Å; A298-Y307 HydrophobicContact CB-CE1 3.78Å; A298-Y307 HydrophobicContact CB-CE2 4.31Å; A298-Y307 PolarHBondContact N-O 3.43Å; A298-Y307 WeakPolarHBondContact O-CD1 3.25Å; A298-Y307 WeakPolarHBondContact O-CE1 3.4Å; A298-Y307 PolarHBondContact O-N 3.15Å; A298-H309 PolarHBondContact N-CD2 3.47Å; A298-P314 HydrophobicContact CB-CB 4.01Å
299	Y	95.9	Very high	92.6	Very high	125 Å²	125	74.5 Å²	74.5	49%	0.49	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.9	176	-176	-105.3	0	0	0	110.2	R304 Y306	Y299-R304 WeakPolarHBondContact OH-CA 3.26Å; Y299-Y306 HydrophobicContact CD2-CD1 4.24Å; Y299-Y306 HydrophobicContact CD2-CD2 4.01Å; Y299-Y306 HydrophobicContact CD2-CE1 4.01Å; Y299-Y306 AromaticContact CD2-CE2 3.73Å; Y299-Y306 HydrophobicContact CD2-CE2 3.73Å; Y299-Y306 HydrophobicContact CD2-CG 4.24Å; Y299-Y306 AromaticContact CD2-CZ 3.72Å; Y299-Y306 HydrophobicContact CE2-CE2 4.32Å; Y299-Y306 HydrophobicContact CG-CE1 4.27Å
300	D	96.4	Very high	92.6	Very high	14 Å²	14	70.1 Å²	70.1	8%	0.075	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123	171.5	-173.5	71.5	0	0	0	110.8	Q270 W283 I302 R303 R304 A305 Y307	Q270-D300 WeakPolarHBondContact CG-OD2 3.3Å; Q270-D300 PolarHBondContact NE2-OD1 3.19Å; Q270-D300 PolarHBondContact NE2-OD2 2.92Å; W283-D300 HydrophobicContact CH2-CB 3.87Å; W283-D300 HydrophobicContact CZ3-CB 3.65Å; D300-I302 VanDerWaalsContact C-N 3.34Å; D300-I302 PolarHBondContact O-N 2.78Å; D300-I302 WeakPolarHBondContact OD2-CB 3.47Å; D300-I302 PolarHBondContact OD2-N 2.91Å; D300-I302 VanDerWaalsContact OD2-N 3.12Å; D300-R303 HydrophobicContact CB-CB 4.4Å; D300-R303 WeakPolarHBondContact OD2-CB 3.47Å; D300-R303 PolarHBondContact OD2-N 3.14Å; D300-R304 VanDerWaalsContact O-CA 3.25Å; D300-R304 WeakPolarHBondContact O-CA 3.46Å; D300-R304 PolarHBondContact O-N 3.43Å; D300-A305 PolarHBondContact N-O 3.09Å; D300-A305 PolarHBondContact O-N 3.41Å; D300-Y307 HydrophobicContact CB-CD1 4.06Å; D300-Y307 HydrophobicContact CB-CE1 4.14Å
301	S	94.5	Very high	92.4	Very high	90 Å²	90	72.3 Å²	72.3	63%	0.629	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-24.1	-176.4	58.6	0	0	0	0	113.8
302	I	94	Very high	92.4	Very high	110 Å²	110	69.7 Å²	69.7	56%	0.564	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-51.1	-179	-62.2	-176.2	0	0	0	109.6	Q270 D300 R304	Q270-I302 HydrophobicContact CG-CB 3.88Å; Q270-I302 HydrophobicContact CG-CG2 4Å; D300-I302 VanDerWaalsContact C-N 3.34Å; D300-I302 PolarHBondContact O-N 2.78Å; D300-I302 WeakPolarHBondContact OD2-CB 3.47Å; D300-I302 PolarHBondContact OD2-N 2.91Å; D300-I302 VanDerWaalsContact OD2-N 3.12Å; I302-R304 VanDerWaalsContact C-N 3.35Å
303	R	94.7	Very high	92.6	Very high	42 Å²	42	64.9 Å²	64.9	16%	0.158	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.8	177.9	-171	154.2	174.2	157	-5.1	113.3	S269 Q270 N272 S278 W283 D300 A305	S269-R303 PolarHBondContact O-NH1 3.39Å; S269-R303 PolarHBondContact OG-NH1 3.33Å; Q270-R303 WeakPolarHBondContact O-CB 3.28Å; N272-R303 HydrophobicContact CB-CG 4.18Å; N272-R303 PolarHBondContact OD1-NH2 3.05Å; S278-R303 PolarHBondContact O-NH1 3.34Å; S278-R303 PolarHBondContact O-NH2 2.87Å; W283-R303 HydrophobicContact CE3-CB 4.47Å; W283-R303 HydrophobicContact CE3-CG 4.16Å; W283-R303 HydrophobicContact CH2-CB 4.09Å; W283-R303 HydrophobicContact CH2-CG 4.43Å; W283-R303 HydrophobicContact CZ3-CB 3.92Å; W283-R303 HydrophobicContact CZ3-CG 4.12Å; W283-R303 VanDerWaalsContact NE1-NH1 3.18Å; D300-R303 HydrophobicContact CB-CB 4.4Å; D300-R303 WeakPolarHBondContact OD2-CB 3.47Å; D300-R303 PolarHBondContact OD2-N 3.14Å; R303-A305 VanDerWaalsContact C-N 3.33Å; R303-A305 HydrophobicContact CG-CB 4.13Å
304	R	95.3	Very high	93	Very high	191 Å²	191	63.6 Å²	63.6	72%	0.721	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	42.7	-173.5	-55.9	-179.8	177.1	176.4	-1.6	112.9	Y299 D300 I302	Y299-R304 WeakPolarHBondContact OH-CA 3.26Å; D300-R304 VanDerWaalsContact O-CA 3.25Å; D300-R304 WeakPolarHBondContact O-CA 3.46Å; D300-R304 PolarHBondContact O-N 3.43Å; I302-R304 VanDerWaalsContact C-N 3.35Å
305	A	95.8	Very high	93.5	Very high	2 Å²	2	61.5 Å²	61.5	2%	0.017	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.3	179.4	0	0	0	0	0	109.9	W283 D300 R303	W283-A305 HydrophobicContact CE3-CB 3.87Å; W283-A305 HydrophobicContact CZ3-CB 4.44Å; D300-A305 PolarHBondContact N-O 3.09Å; D300-A305 PolarHBondContact O-N 3.41Å; R303-A305 VanDerWaalsContact C-N 3.33Å; R303-A305 HydrophobicContact CG-CB 4.13Å
306	Y	96.3	Very high	93.8	Very high	43 Å²	43	54.2 Å²	54.2	17%	0.169	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143.6	172.5	-60.9	-97.9	0	0	0	109.9	W283 T284 E287 P288 A298 Y299	W283-Y306 CarbonylContact C-O 3.59Å; W283-Y306 WeakPolarHBondContact CA-O 3.39Å; T284-Y306 PolarHBondContact N-O 2.93Å; T284-Y306 PolarHBondContact O-N 3.12Å; E287-Y306 HydrophobicContact CB-CE2 3.93Å; E287-Y306 HydrophobicContact CG-CE2 4.3Å; E287-Y306 WeakPolarHBondContact CG-OH 3.43Å; P288-Y306 HydrophobicContact CG-CD1 3.98Å; P288-Y306 HydrophobicContact CG-CE1 4.29Å; P288-Y306 HydrophobicContact CG-CG 4.4Å; A298-Y306 CarbonylContact O-C 3.51Å; A298-Y306 VanDerWaalsContact O-CA 3.22Å; A298-Y306 WeakPolarHBondContact O-CA 3.07Å; Y299-Y306 HydrophobicContact CD2-CD1 4.24Å; Y299-Y306 HydrophobicContact CD2-CD2 4.01Å; Y299-Y306 HydrophobicContact CD2-CE1 4.01Å; Y299-Y306 AromaticContact CD2-CE2 3.73Å; Y299-Y306 HydrophobicContact CD2-CE2 3.73Å; Y299-Y306 HydrophobicContact CD2-CG 4.24Å; Y299-Y306 AromaticContact CD2-CZ 3.72Å; Y299-Y306 HydrophobicContact CE2-CE2 4.32Å; Y299-Y306 HydrophobicContact CG-CE1 4.27Å
307	Y	95.9	Very high	94.1	Very high	16 Å²	16	52.2 Å²	52.2	6%	0.063	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.2	171.9	64.9	-82.5	0	0	0	111.5	F266 I282 W283 Y297 A298 D300 H309 P314 P317	F266-Y307 HydrophobicContact CE2-CD2 4.13Å; F266-Y307 HydrophobicContact CE2-CE2 4.34Å; F266-Y307 HydrophobicContact CE2-CG 4.28Å; F266-Y307 HydrophobicContact CZ-CD1 4.3Å; F266-Y307 HydrophobicContact CZ-CD2 4.31Å; F266-Y307 HydrophobicContact CZ-CE1 4.18Å; F266-Y307 HydrophobicContact CZ-CE2 4.18Å; F266-Y307 HydrophobicContact CZ-CG 4.37Å; I282-Y307 CarbonylContact O-C 3.54Å; I282-Y307 VanDerWaalsContact O-CA 3.25Å; I282-Y307 WeakPolarHBondContact O-CA 3.44Å; W283-Y307 AromaticContact CH2-CD1 3.97Å; W283-Y307 HydrophobicContact CH2-CD1 3.97Å; W283-Y307 HydrophobicContact CH2-CG 4.22Å; W283-Y307 AromaticContact CZ3-CD1 3.78Å; W283-Y307 HydrophobicContact CZ3-CD1 3.78Å; W283-Y307 HydrophobicContact CZ3-CG 4.12Å; Y297-Y307 VanDerWaalsContact CA-O 3.27Å; Y297-Y307 WeakPolarHBondContact CA-O 3.33Å; A298-Y307 HydrophobicContact CB-CD1 4.46Å; A298-Y307 HydrophobicContact CB-CE1 3.78Å; A298-Y307 HydrophobicContact CB-CE2 4.31Å; A298-Y307 PolarHBondContact N-O 3.43Å; A298-Y307 WeakPolarHBondContact O-CD1 3.25Å; A298-Y307 WeakPolarHBondContact O-CE1 3.4Å; A298-Y307 PolarHBondContact O-N 3.15Å; D300-Y307 HydrophobicContact CB-CD1 4.06Å; D300-Y307 HydrophobicContact CB-CE1 4.14Å; Y307-H309 HydrophobicContact CD2-CB 4.32Å; Y307-H309 HydrophobicContact CE2-CB 4Å; Y307-P314 WeakPolarHBondContact CE2-O 3.37Å; Y307-P314 PolarHBondContact OH-O 3.17Å; Y307-P317 HydrophobicContact CD2-CB 3.79Å; Y307-P317 HydrophobicContact CE2-CB 3.89Å
308	R	95.2	Very high	94.2	Very high	40 Å²	40	49.9 Å²	49.9	15%	0.151	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.8	175.9	-156.1	177.2	179.9	154.3	0.7	110.6	I282 H296 Y297 L318 E357	I282-R308 HydrophobicContact CB-CB 3.88Å; I282-R308 HydrophobicContact CD1-CB 4.41Å; I282-R308 HydrophobicContact CG2-CB 4.05Å; I282-R308 PolarHBondContact O-N 3.28Å; H296-R308 WeakPolarHBondContact O-CA 3.46Å; Y297-R308 HydrophobicContact CD1-CB 4.2Å; Y297-R308 HydrophobicContact CE1-CB 3.73Å; Y297-R308 HydrophobicContact CE1-CG 4.07Å; Y297-R308 HydrophobicContact CE2-CG 4.37Å; R308-L318 HydrophobicContact CB-CD1 4.33Å; R308-L318 HydrophobicContact CG-CD1 3.74Å; R308-L318 PolarHBondContact O-N 3.45Å; R308-E357 IonicContact CZ-OE1 2.7Å; R308-E357 IonicContact CZ-OE2 3.99Å; R308-E357 IonicContact NE-OE1 2.81Å; R308-E357 IonicContact NH1-OE1 3.93Å; R308-E357 PolarHBondContact NH1-OE1 2.76Å; R308-E357 IonicContact NH1-OE2 3.39Å; R308-E357 PolarHBondContact NH1-OE2 3.33Å; R308-E357 IonicContact NH2-OE2 2.82Å
309	H	94.3	Very high	94.3	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	164.4	179.6	63.7	81.1	0	0	0	111.8	R295 H296 Y297 A298 Y307 N313 S316	R295-H309 PolarHBondContact O-CE1 3.18Å; R295-H309 VanDerWaalsContact O-CE1 3.24Å; H296-H309 PolarHBondContact O-CD2 2.95Å; H296-H309 PolarHBondContact O-N 3.5Å; Y297-H309 PolarHBondContact N-NE2 3.46Å; A298-H309 PolarHBondContact N-CD2 3.47Å; Y307-H309 HydrophobicContact CD2-CB 4.32Å; Y307-H309 HydrophobicContact CE2-CB 4Å; H309-N313 WeakPolarHBondContact CB-O 3.49Å; H309-N313 PolarHBondContact ND1-O 3.23Å; H309-S316 CarbonylContact C-O 3.55Å; H309-S316 WeakPolarHBondContact CA-O 3.45Å; H309-S316 WeakPolarHBondContact CB-O 3.27Å
310	A	91.8	Very high	94.3	Very high	6 Å²	6	45.4 Å²	45.4	5%	0.05	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	145.5	173.3	0	0	0	0	0	110.4	G312 N313 S316 L318 N353	A310-G312 PolarHBondContact O-N 2.93Å; A310-G312 VanDerWaalsContact O-N 3.14Å; A310-N313 PolarHBondContact O-N 3.07Å; A310-S316 PolarHBondContact N-O 2.93Å; A310-L318 HydrophobicContact CB-CD2 4.29Å; A310-N353 HydrophobicContact CB-CB 4.29Å
311	H	86.5	Confident	94.3	Very high	108 Å²	108	44.9 Å²	44.9	50%	0.5	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	123	-170.8	-177.4	71.4	0	0	0	111.7	H296 N313	H296-H311 AromaticContact CE1-ND1 3.25Å; H296-H311 PolarHBondContact CE1-ND1 3.19Å; H296-H311 VanDerWaalsContact CE1-ND1 3.25Å; H296-H311 AromaticContact ND1-ND1 3.72Å; H311-N313 PolarHBondContact O-N 2.99Å
312	G	86	Confident	94.3	Very high	63 Å²	63	44.5 Å²	44.5	65%	0.649	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	-0.1	179.5	0	0	0	0	0	115.9	A310	A310-G312 PolarHBondContact O-N 2.93Å; A310-G312 VanDerWaalsContact O-N 3.14Å
313	N	91.6	Very high	94.4	Very high	39 Å²	39	40 Å²	40	21%	0.209	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	89.7	177	-166.7	-7.1	0	0	0	112.3	N204 H309 A310 H311 N315 S316	N204-N313 PolarHBondContact OD1-ND2 2.65Å; N204-N313 VanDerWaalsContact OD1-ND2 3.17Å; N204-N313 PolarHBondContact OD1-OD1 2.65Å; H309-N313 WeakPolarHBondContact CB-O 3.49Å; H309-N313 PolarHBondContact ND1-O 3.23Å; A310-N313 PolarHBondContact O-N 3.07Å; H311-N313 PolarHBondContact O-N 2.99Å; N313-N315 PolarHBondContact O-N 2.97Å; N313-N315 WeakPolarHBondContact OD1-CB 3.41Å; N313-N315 PolarHBondContact OD1-N 3.2Å; N313-S316 VanDerWaalsContact CG-OG 3.31Å; N313-S316 PolarHBondContact ND2-OG 3.37Å; N313-S316 PolarHBondContact O-N 2.88Å
314	P	94.2	Very high	94.4	Very high	54 Å²	54	41.4 Å²	41.4	35%	0.351	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	-28.6	173.5	-26.9	36.5	0	0	0	113.7	A298 Y307 S316	A298-P314 HydrophobicContact CB-CB 4.01Å; Y307-P314 WeakPolarHBondContact CE2-O 3.37Å; Y307-P314 PolarHBondContact OH-O 3.17Å; P314-S316 PolarHBondContact O-N 2.76Å; P314-S316 VanDerWaalsContact O-N 3.15Å
315	N	96.1	Very high	94.5	Very high	67 Å²	67	35.5 Å²	35.5	36%	0.358	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	0	179.6	-61.1	-37.9	0	0	0	113.4	N204 S260 I261 N313 P317	N204-N315 HydrophobicContact CB-CB 3.69Å; S260-N315 WeakPolarHBondContact CA-O 3.25Å; I261-N315 HydrophobicContact CD1-CB 4.34Å; I261-N315 WeakPolarHBondContact CD1-OD1 3.39Å; I261-N315 HydrophobicContact CG1-CB 4.22Å; I261-N315 PolarHBondContact N-O 3.39Å; N313-N315 PolarHBondContact O-N 2.97Å; N313-N315 WeakPolarHBondContact OD1-CB 3.41Å; N313-N315 PolarHBondContact OD1-N 3.2Å; N315-P317 VanDerWaalsContact O-CD 3.27Å; N315-P317 WeakPolarHBondContact O-CD 3.45Å
316	S	95.9	Very high	94.5	Very high	11 Å²	11	35.4 Å²	35.4	8%	0.077	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	69.2	177.2	-59.1	0	0	0	0	111.9	N204 T259 H309 A310 N313 P314	N204-S316 WeakPolarHBondContact O-CB 3.35Å; N204-S316 PolarHBondContact O-OG 2.6Å; T259-S316 CarbonylContact O-C 3.49Å; T259-S316 VanDerWaalsContact O-CA 3.31Å; T259-S316 WeakPolarHBondContact O-CA 3.37Å; H309-S316 CarbonylContact C-O 3.55Å; H309-S316 WeakPolarHBondContact CA-O 3.45Å; H309-S316 WeakPolarHBondContact CB-O 3.27Å; A310-S316 PolarHBondContact N-O 2.93Å; N313-S316 VanDerWaalsContact CG-OG 3.31Å; N313-S316 PolarHBondContact ND2-OG 3.37Å; N313-S316 PolarHBondContact O-N 2.88Å; P314-S316 PolarHBondContact O-N 2.76Å; P314-S316 VanDerWaalsContact O-N 3.15Å
317	P	96.6	Very high	94.5	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	139.5	179.3	27.4	-39.7	0	0	0	112.3	A258 T259 I261 F266 Y281 Y307 N315	A258-P317 WeakPolarHBondContact CA-O 3.49Å; A258-P317 WeakPolarHBondContact CB-O 3.47Å; T259-P317 PolarHBondContact N-O 3.45Å; T259-P317 WeakPolarHBondContact O-CD 3.12Å; I261-P317 HydrophobicContact CG2-CG 3.95Å; F266-P317 HydrophobicContact CB-CG 4.42Å; F266-P317 HydrophobicContact CD2-CB 3.56Å; F266-P317 HydrophobicContact CD2-CG 3.41Å; F266-P317 VanDerWaalsContact CD2-CG 3.41Å; F266-P317 HydrophobicContact CE2-CB 3.43Å; F266-P317 VanDerWaalsContact CE2-CB 3.43Å; F266-P317 HydrophobicContact CE2-CG 3.69Å; F266-P317 HydrophobicContact CG-CB 4.48Å; F266-P317 HydrophobicContact CG-CG 3.87Å; F266-P317 HydrophobicContact CZ-CB 4.27Å; F266-P317 HydrophobicContact CZ-CG 4.34Å; Y281-P317 HydrophobicContact CD1-CB 3.65Å; Y281-P317 HydrophobicContact CD1-CG 4.14Å; Y281-P317 HydrophobicContact CE1-CB 3.81Å; Y281-P317 HydrophobicContact CE1-CG 3.76Å; Y307-P317 HydrophobicContact CD2-CB 3.79Å; Y307-P317 HydrophobicContact CE2-CB 3.89Å; N315-P317 VanDerWaalsContact O-CD 3.27Å; N315-P317 WeakPolarHBondContact O-CD 3.45Å
318	L	96.3	Very high	94.5	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-84.9	133.9	-178.3	-61.6	-174.7	0	0	0	111.7	Y257 A258 Y281 I282 R308 A310 L355 M358	Y257-L318 HydrophobicContact CD2-CD2 3.86Å; Y257-L318 HydrophobicContact CE2-CD2 4.23Å; A258-L318 HydrophobicContact CB-CD2 3.95Å; Y281-L318 WeakPolarHBondContact CA-O 3.08Å; Y281-L318 VanDerWaalsContact CD1-O 3.31Å; Y281-L318 WeakPolarHBondContact CD1-O 3.38Å; I282-L318 HydrophobicContact CD1-CB 4.33Å; I282-L318 PolarHBondContact N-O 2.96Å; R308-L318 HydrophobicContact CB-CD1 4.33Å; R308-L318 HydrophobicContact CG-CD1 3.74Å; R308-L318 PolarHBondContact O-N 3.45Å; A310-L318 HydrophobicContact CB-CD2 4.29Å; L318-L355 HydrophobicContact CD1-CD1 3.62Å; L318-M358 HydrophobicContact CB-CE 3.67Å; L318-M358 HydrophobicContact CD1-CE 3.6Å; L318-M358 HydrophobicContact CD2-CE 4.13Å; L318-M358 HydrophobicContact CG-CE 3.97Å
319	L	97	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-71	142.9	173.3	-69.8	170.9	0	0	0	111	W209 I256 Y257 T259 W265 F280 Y281 L321 V326 M330	W209-L319 HydrophobicContact CH2-CD1 3.91Å; W209-L319 HydrophobicContact CH2-CD2 4.45Å; W209-L319 HydrophobicContact CZ2-CD1 3.87Å; I256-L319 WeakPolarHBondContact O-CD1 3.21Å; Y257-L319 PolarHBondContact O-N 2.67Å; T259-L319 HydrophobicContact CG2-CD1 4.36Å; T259-L319 HydrophobicContact CG2-CD2 4.2Å; T259-L319 HydrophobicContact CG2-CG 4.32Å; W265-L319 HydrophobicContact CE3-CD2 4.11Å; W265-L319 HydrophobicContact CZ3-CD2 4.44Å; F280-L319 CarbonylContact O-C 3.6Å; F280-L319 WeakPolarHBondContact O-CA 3.49Å; Y281-L319 HydrophobicContact CD1-CD2 4.3Å; Y281-L319 HydrophobicContact CE1-CD2 3.83Å; Y281-L319 HydrophobicContact CE1-CG 4.48Å; Y281-L319 HydrophobicContact CE2-CD2 4.33Å; L319-L321 VanDerWaalsContact C-N 3.34Å; L319-L321 HydrophobicContact CB-CD2 4.18Å; L319-L321 HydrophobicContact CB-CG 4.27Å; L319-L321 PolarHBondContact O-N 3.29Å; L319-V326 HydrophobicContact CB-CG1 4.27Å; L319-V326 HydrophobicContact CD1-CG1 4.44Å; L319-V326 HydrophobicContact CD2-CG1 4.45Å; L319-M330 HydrophobicContact CD1-SD 4.36Å
320	N	96.3	Very high	94.6	Very high	46 Å²	46	38.2 Å²	38.2	25%	0.246	23%	0.226	C	C	.	.			trans	-80	83	170	-178.9	7.6	0	0	0	109.7	T279 F280 I282 S322 N323	T279-N320 PolarHBondContact O-ND2 2.63Å; F280-N320 PolarHBondContact O-N 2.87Å; I282-N320 HydrophobicContact CG1-CB 4.03Å; N320-S322 PolarHBondContact O-N 2.89Å; N320-S322 VanDerWaalsContact O-N 3.16Å; N320-S322 PolarHBondContact OD1-N 3.21Å; N320-N323 HydrophobicContact CB-CB 4.37Å; N320-N323 WeakPolarHBondContact O-CB 3.24Å; N320-N323 PolarHBondContact O-N 3.11Å
321	L	96.4	Very high	94.8	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.6	-176.4	-66	172.6	0	0	0	114.1	L319 N323 V326 Q327 M358 G361 I362 I365	L319-L321 VanDerWaalsContact C-N 3.34Å; L319-L321 HydrophobicContact CB-CD2 4.18Å; L319-L321 HydrophobicContact CB-CG 4.27Å; L319-L321 PolarHBondContact O-N 3.29Å; L321-N323 VanDerWaalsContact C-N 3.3Å; L321-V326 HydrophobicContact CD2-CG1 4.05Å; L321-Q327 PolarHBondContact O-NE2 3.4Å; L321-M358 HydrophobicContact CD1-CB 3.76Å; L321-M358 HydrophobicContact CD1-CG 3.99Å; L321-M358 HydrophobicContact CD1-SD 4.29Å; L321-G361 VanDerWaalsContact O-CA 3.31Å; L321-G361 WeakPolarHBondContact O-CA 3.44Å; L321-I362 HydrophobicContact CD1-CD1 4.15Å; L321-I362 HydrophobicContact CD1-CG1 3.62Å; L321-I365 HydrophobicContact CD2-CD1 3.83Å
322	S	94.7	Very high	95.3	Very high	82 Å²	82	37.7 Å²	37.7	57%	0.573	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-18.6	169	-61.7	0	0	0	0	112.5	N320 P324	N320-S322 PolarHBondContact O-N 2.89Å; N320-S322 VanDerWaalsContact O-N 3.16Å; N320-S322 PolarHBondContact OD1-N 3.21Å; S322-P324 WeakPolarHBondContact O-CD 3.48Å
323	N	95.4	Very high	95.8	Very high	16 Å²	16	34.8 Å²	34.8	9%	0.086	19%	0.193	C	C	.	.			trans	-73.5	121.3	178.5	-174.2	-17.1	0	0	0	111	T279 N320 L321 D325 V326 Q327	T279-N323 PolarHBondContact O-ND2 3.09Å; T279-N323 VanDerWaalsContact O-ND2 3.07Å; T279-N323 PolarHBondContact OG1-ND2 3.27Å; N320-N323 HydrophobicContact CB-CB 4.37Å; N320-N323 WeakPolarHBondContact O-CB 3.24Å; N320-N323 PolarHBondContact O-N 3.11Å; L321-N323 VanDerWaalsContact C-N 3.3Å; N323-D325 VanDerWaalsContact C-N 3.26Å; N323-D325 PolarHBondContact O-N 3.45Å; N323-D325 WeakPolarHBondContact OD1-CB 3.46Å; N323-D325 PolarHBondContact OD1-N 2.93Å; N323-V326 HydrophobicContact CB-CB 4.19Å; N323-V326 HydrophobicContact CB-CG2 3.84Å; N323-V326 PolarHBondContact O-N 3.47Å; N323-Q327 WeakPolarHBondContact O-CG 3.49Å; N323-Q327 PolarHBondContact O-N 3.21Å; N323-Q327 VanDerWaalsContact O-N 3.12Å
324	P	95.6	Very high	96	Very high	70 Å²	70	33.5 Å²	33.5	46%	0.455	19%	0.186	S	C	.	.	H	α-helix	trans	-56.9	-34.9	176.1	-24.8	35	0	0	0	114.2	S322 Q327 I328	S322-P324 WeakPolarHBondContact O-CD 3.48Å; P324-Q327 WeakPolarHBondContact O-CB 3.31Å; P324-Q327 PolarHBondContact O-N 2.87Å; P324-I328 VanDerWaalsContact O-CG1 3.29Å; P324-I328 WeakPolarHBondContact O-CG1 3.34Å; P324-I328 PolarHBondContact O-N 3.24Å
325	D	96.3	Very high	96	Very high	67 Å²	67	37.2 Å²	37.2	36%	0.358	20%	0.196	S	C	.	.	H	α-helix	trans	-69.1	-37.9	-178.6	-64.5	-38.3	0	0	0	111.6	V276 F280 N323 Q327 I328 K329	V276-D325 HydrophobicContact CG1-CB 3.63Å; F280-D325 HydrophobicContact CE1-CB 3.76Å; F280-D325 HydrophobicContact CZ-CB 4.28Å; N323-D325 VanDerWaalsContact C-N 3.26Å; N323-D325 PolarHBondContact O-N 3.45Å; N323-D325 WeakPolarHBondContact OD1-CB 3.46Å; N323-D325 PolarHBondContact OD1-N 2.93Å; D325-Q327 VanDerWaalsContact C-N 3.35Å; D325-I328 PolarHBondContact O-N 3.04Å; D325-K329 WeakPolarHBondContact O-CG 3.45Å; D325-K329 PolarHBondContact O-N 3.49Å
326	V	96.7	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-44	171.6	176.7	0	0	0	0	110	F280 L319 L321 N323 I328 K329 M330	F280-V326 HydrophobicContact CB-CG2 3.96Å; F280-V326 HydrophobicContact CD1-CG2 3.53Å; F280-V326 HydrophobicContact CD2-CG2 4.04Å; F280-V326 HydrophobicContact CE1-CG2 3.91Å; F280-V326 HydrophobicContact CE2-CG2 4.39Å; F280-V326 HydrophobicContact CG-CG2 3.59Å; F280-V326 HydrophobicContact CZ-CG2 4.34Å; L319-V326 HydrophobicContact CB-CG1 4.27Å; L319-V326 HydrophobicContact CD1-CG1 4.44Å; L319-V326 HydrophobicContact CD2-CG1 4.45Å; L321-V326 HydrophobicContact CD2-CG1 4.05Å; N323-V326 HydrophobicContact CB-CB 4.19Å; N323-V326 HydrophobicContact CB-CG2 3.84Å; N323-V326 PolarHBondContact O-N 3.47Å; V326-I328 VanDerWaalsContact C-N 3.35Å; V326-I328 PolarHBondContact O-N 3.16Å; V326-K329 PolarHBondContact O-N 3.06Å; V326-M330 HydrophobicContact CG1-CG 4.35Å; V326-M330 WeakPolarHBondContact O-CG 3.36Å; V326-M330 PolarHBondContact O-N 3.41Å
327	Q	96	Very high	96.1	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.065	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-44.8	178.2	-65	164.2	6.3	0	0	111.5	L321 N323 P324 D325 M330 I331 I365	L321-Q327 PolarHBondContact O-NE2 3.4Å; N323-Q327 WeakPolarHBondContact O-CG 3.49Å; N323-Q327 PolarHBondContact O-N 3.21Å; N323-Q327 VanDerWaalsContact O-N 3.12Å; P324-Q327 WeakPolarHBondContact O-CB 3.31Å; P324-Q327 PolarHBondContact O-N 2.87Å; D325-Q327 VanDerWaalsContact C-N 3.35Å; Q327-M330 PolarHBondContact O-N 3.01Å; Q327-I331 WeakPolarHBondContact O-CD1 3.21Å; Q327-I331 VanDerWaalsContact O-CG1 3.24Å; Q327-I331 WeakPolarHBondContact O-CG1 3.47Å; Q327-I331 PolarHBondContact O-N 2.79Å; Q327-I365 HydrophobicContact CB-CD1 4.43Å; Q327-I365 HydrophobicContact CB-CG1 3.91Å; Q327-I365 HydrophobicContact CG-CD1 4.2Å; Q327-I365 HydrophobicContact CG-CG1 4.01Å
328	I	95.9	Very high	96	Very high	84 Å²	84	37.8 Å²	37.8	43%	0.431	19%	0.194	S	C	.	.	H	α-helix	trans	-59.6	-48.5	177.1	-70.2	163.7	0	0	0	110.4	P324 D325 V326 M330 I331 E332	P324-I328 VanDerWaalsContact O-CG1 3.29Å; P324-I328 WeakPolarHBondContact O-CG1 3.34Å; P324-I328 PolarHBondContact O-N 3.24Å; D325-I328 PolarHBondContact O-N 3.04Å; V326-I328 VanDerWaalsContact C-N 3.35Å; V326-I328 PolarHBondContact O-N 3.16Å; I328-M330 VanDerWaalsContact C-N 3.35Å; I328-M330 PolarHBondContact O-N 2.97Å; I328-I331 WeakPolarHBondContact O-CB 3.35Å; I328-I331 PolarHBondContact O-N 2.82Å; I328-I331 VanDerWaalsContact O-N 3.17Å; I328-E332 WeakPolarHBondContact O-CG 3.34Å; I328-E332 PolarHBondContact O-N 3.48Å
329	K	96	Very high	96	Very high	68 Å²	68	45.2 Å²	45.2	30%	0.296	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-40.1	178.7	-73.2	-74.7	160.3	-153.8	0	112.7	W265 F280 D325 V326 I331 E332 V333	W265-K329 HydrophobicContact CH2-CB 3.57Å; W265-K329 HydrophobicContact CH2-CG 4.46Å; W265-K329 HydrophobicContact CZ2-CB 3.85Å; W265-K329 HydrophobicContact CZ2-CD 4.32Å; W265-K329 HydrophobicContact CZ2-CG 4.33Å; W265-K329 HydrophobicContact CZ3-CB 4.31Å; F280-K329 HydrophobicContact CE2-CG 4.1Å; F280-K329 HydrophobicContact CZ-CG 3.94Å; D325-K329 WeakPolarHBondContact O-CG 3.45Å; D325-K329 PolarHBondContact O-N 3.49Å; V326-K329 PolarHBondContact O-N 3.06Å; K329-I331 VanDerWaalsContact C-N 3.35Å; K329-I331 PolarHBondContact O-N 2.98Å; K329-E332 WeakPolarHBondContact CD-OE2 3.27Å; K329-E332 WeakPolarHBondContact CE-OE2 3.44Å; K329-E332 IonicContact NZ-OE1 3.33Å; K329-E332 IonicContact NZ-OE2 2.76Å; K329-E332 PolarHBondContact NZ-OE2 3.41Å; K329-E332 WeakPolarHBondContact O-CB 3.15Å; K329-E332 PolarHBondContact O-N 2.76Å; K329-V333 WeakPolarHBondContact O-CG2 3.46Å; K329-V333 PolarHBondContact O-N 2.79Å
330	M	96.3	Very high	95.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.3	-33.8	175.7	-67.6	-48	-63.6	0	0	112.7	W209 I256 W265 L319 V326 Q327 I328 E332 V333 I334 I365	W209-M330 HydrophobicContact CD2-SD 4.46Å; W209-M330 HydrophobicContact CH2-SD 4.16Å; W209-M330 HydrophobicContact CZ2-CE 4.14Å; W209-M330 HydrophobicContact CZ2-SD 3.89Å; I256-M330 HydrophobicContact CB-CE 4.42Å; I256-M330 HydrophobicContact CG1-CE 3.85Å; W265-M330 HydrophobicContact CH2-SD 3.89Å; W265-M330 HydrophobicContact CZ3-SD 3.9Å; L319-M330 HydrophobicContact CD1-SD 4.36Å; V326-M330 HydrophobicContact CG1-CG 4.35Å; V326-M330 WeakPolarHBondContact O-CG 3.36Å; V326-M330 PolarHBondContact O-N 3.41Å; Q327-M330 PolarHBondContact O-N 3.01Å; I328-M330 VanDerWaalsContact C-N 3.35Å; I328-M330 PolarHBondContact O-N 2.97Å; M330-E332 VanDerWaalsContact C-N 3.34Å; M330-V333 PolarHBondContact O-N 2.83Å; M330-I334 WeakPolarHBondContact O-CG1 3.45Å; M330-I334 PolarHBondContact O-N 2.87Å; M330-I334 VanDerWaalsContact O-N 3.15Å; M330-I365 HydrophobicContact CB-CD1 3.81Å; M330-I365 HydrophobicContact CB-CG1 4.15Å; M330-I365 HydrophobicContact CB-CG2 3.8Å; M330-I365 HydrophobicContact CG-CD1 4.11Å
331	I	95.8	Very high	95.9	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.138	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-39.8	171.8	-67.8	161	0	0	0	110.6	Q327 I328 K329 I334 K335 I365 T368	Q327-I331 WeakPolarHBondContact O-CD1 3.21Å; Q327-I331 VanDerWaalsContact O-CG1 3.24Å; Q327-I331 WeakPolarHBondContact O-CG1 3.47Å; Q327-I331 PolarHBondContact O-N 2.79Å; I328-I331 WeakPolarHBondContact O-CB 3.35Å; I328-I331 PolarHBondContact O-N 2.82Å; I328-I331 VanDerWaalsContact O-N 3.17Å; K329-I331 VanDerWaalsContact C-N 3.35Å; K329-I331 PolarHBondContact O-N 2.98Å; I331-I334 PolarHBondContact O-N 2.89Å; I331-K335 HydrophobicContact CG2-CD 4.23Å; I331-K335 WeakPolarHBondContact O-CG 3.46Å; I331-K335 PolarHBondContact O-N 3.3Å; I331-I365 HydrophobicContact CG1-CB 4.47Å; I331-I365 HydrophobicContact CG1-CG2 4.1Å; I331-T368 HydrophobicContact CD1-CG2 4.16Å; I331-T368 HydrophobicContact CG2-CG2 4.4Å
332	E	95.9	Very high	95.9	Very high	76 Å²	76	51.3 Å²	51.3	36%	0.355	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-44.2	174.3	-71.3	172.4	-179.2	0	0	111.6	I328 K329 M330 I334 K335 F336	I328-E332 WeakPolarHBondContact O-CG 3.34Å; I328-E332 PolarHBondContact O-N 3.48Å; K329-E332 WeakPolarHBondContact CD-OE2 3.27Å; K329-E332 WeakPolarHBondContact CE-OE2 3.44Å; K329-E332 IonicContact NZ-OE1 3.33Å; K329-E332 IonicContact NZ-OE2 2.76Å; K329-E332 PolarHBondContact NZ-OE2 3.41Å; K329-E332 WeakPolarHBondContact O-CB 3.15Å; K329-E332 PolarHBondContact O-N 2.76Å; M330-E332 VanDerWaalsContact C-N 3.34Å; E332-I334 VanDerWaalsContact C-N 3.33Å; E332-I334 PolarHBondContact O-N 2.9Å; E332-K335 WeakPolarHBondContact O-CB 3.5Å; E332-K335 PolarHBondContact O-N 2.94Å; E332-F336 WeakPolarHBondContact O-CB 3.21Å; E332-F336 PolarHBondContact O-N 3.29Å
333	V	96.4	Very high	95.9	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-56.8	-45	174.4	166.7	0	0	0	0	111.6	W209 E210 L254 K329 M330 F336 W337	W209-V333 HydrophobicContact CB-CB 4.32Å; W209-V333 HydrophobicContact CB-CG1 3.63Å; W209-V333 HydrophobicContact CB-CG2 3.66Å; W209-V333 HydrophobicContact CD2-CG2 4.41Å; W209-V333 HydrophobicContact CG-CG1 4Å; W209-V333 HydrophobicContact CG-CG2 4.07Å; E210-V333 HydrophobicContact CG-CG2 4.44Å; L254-V333 HydrophobicContact CD1-CG1 4.45Å; K329-V333 WeakPolarHBondContact O-CG2 3.46Å; K329-V333 PolarHBondContact O-N 2.79Å; M330-V333 PolarHBondContact O-N 2.83Å; V333-F336 WeakPolarHBondContact O-CB 3.36Å; V333-F336 PolarHBondContact O-N 2.82Å; V333-W337 VanDerWaalsContact O-CD1 3.27Å; V333-W337 PolarHBondContact O-N 3.07Å
334	I	95.6	Very high	95.9	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.062	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-44.5	178.5	-63.8	169	0	0	0	110.3	L254 M330 I331 E332 F336 W337 K338 L346 I365 L366 F374	L254-I334 HydrophobicContact CD2-CG1 4.39Å; M330-I334 WeakPolarHBondContact O-CG1 3.45Å; M330-I334 PolarHBondContact O-N 2.87Å; M330-I334 VanDerWaalsContact O-N 3.15Å; I331-I334 PolarHBondContact O-N 2.89Å; E332-I334 VanDerWaalsContact C-N 3.33Å; E332-I334 PolarHBondContact O-N 2.9Å; I334-F336 VanDerWaalsContact C-N 3.32Å; I334-F336 PolarHBondContact O-N 3.17Å; I334-W337 PolarHBondContact O-N 3.34Å; I334-K338 HydrophobicContact CG2-CD 4.33Å; I334-K338 HydrophobicContact CG2-CG 4.46Å; I334-K338 WeakPolarHBondContact O-CG 3.33Å; I334-K338 PolarHBondContact O-N 2.91Å; I334-L346 HydrophobicContact CD1-CD1 3.97Å; I334-L346 HydrophobicContact CG1-CD1 3.85Å; I334-L346 HydrophobicContact CG2-CD1 4.16Å; I334-I365 HydrophobicContact CD1-CG2 3.65Å; I334-L366 HydrophobicContact CD1-CD2 3.71Å; I334-F374 HydrophobicContact CG2-CZ 4.05Å
335	K	95.7	Very high	95.8	Very high	132 Å²	132	45.3 Å²	45.3	57%	0.574	21%	0.21	S	C	*	.	H	α-helix	trans	-60.4	-41	176.5	-73.7	175	178.9	176.7	0	112	I331 E332 W337 K338 Q339	I331-K335 HydrophobicContact CG2-CD 4.23Å; I331-K335 WeakPolarHBondContact O-CG 3.46Å; I331-K335 PolarHBondContact O-N 3.3Å; E332-K335 WeakPolarHBondContact O-CB 3.5Å; E332-K335 PolarHBondContact O-N 2.94Å; K335-W337 PolarHBondContact O-N 2.75Å; K335-K338 PolarHBondContact O-N 3.47Å; K335-Q339 PolarHBondContact O-N 3.46Å
336	F	96.7	Very high	95.8	Very high	37 Å²	37	42.2 Å²	42.2	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-55.6	-51.1	176	173.3	-91.3	0	0	0	110.8	E210 F223 E332 V333 I334 K338 Q339 K340	E210-F336 HydrophobicContact CB-CD1 4.19Å; E210-F336 HydrophobicContact CB-CD2 4.41Å; E210-F336 HydrophobicContact CB-CE1 3.97Å; E210-F336 HydrophobicContact CB-CE2 4.2Å; E210-F336 HydrophobicContact CB-CG 4.4Å; E210-F336 HydrophobicContact CB-CZ 3.97Å; E210-F336 HydrophobicContact CG-CD1 4.14Å; E210-F336 HydrophobicContact CG-CD2 4.33Å; E210-F336 HydrophobicContact CG-CE1 4.44Å; E210-F336 HydrophobicContact CG-CG 4.08Å; E210-F336 WeakPolarHBondContact O-CE1 3.28Å; E210-F336 WeakPolarHBondContact O-CZ 3.32Å; F223-F336 AromaticContact CE1-CE1 3.77Å; F223-F336 HydrophobicContact CE1-CE1 3.77Å; F223-F336 AromaticContact CE1-CZ 3.6Å; F223-F336 HydrophobicContact CE1-CZ 3.6Å; F223-F336 AromaticContact CZ-CE1 3.8Å; F223-F336 HydrophobicContact CZ-CE1 3.8Å; F223-F336 AromaticContact CZ-CZ 3.58Å; F223-F336 HydrophobicContact CZ-CZ 3.58Å; E332-F336 WeakPolarHBondContact O-CB 3.21Å; E332-F336 PolarHBondContact O-N 3.29Å; V333-F336 WeakPolarHBondContact O-CB 3.36Å; V333-F336 PolarHBondContact O-N 2.82Å; I334-F336 VanDerWaalsContact C-N 3.32Å; I334-F336 PolarHBondContact O-N 3.17Å; F336-K338 PolarHBondContact O-N 2.77Å; F336-Q339 PolarHBondContact O-N 2.93Å; F336-Q339 VanDerWaalsContact O-N 3.15Å; F336-K340 HydrophobicContact CD1-CG 4.23Å; F336-K340 HydrophobicContact CD2-CG 4.17Å; F336-K340 HydrophobicContact CE1-CB 4.5Å; F336-K340 HydrophobicContact CE1-CG 3.9Å; F336-K340 HydrophobicContact CE2-CD 4.44Å; F336-K340 HydrophobicContact CE2-CG 3.86Å; F336-K340 HydrophobicContact CG-CG 4.36Å; F336-K340 HydrophobicContact CZ-CD 4.46Å; F336-K340 HydrophobicContact CZ-CG 3.72Å; F336-K340 WeakPolarHBondContact O-CB 3.38Å; F336-K340 WeakPolarHBondContact O-CG 3.19Å; F336-K340 PolarHBondContact O-N 2.86Å
337	W	96.6	Very high	95.8	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-70.4	-32.3	179.5	-73.5	106.4	0	0	0	113.5	L198 L199 W209 I212 F223 L227 I252 V333 I334 K335 Q339 K340 L341 E342 I343	L198-W337 HydrophobicContact CD2-CE3 4.17Å; L198-W337 HydrophobicContact CD2-CH2 3.92Å; L198-W337 HydrophobicContact CD2-CZ3 3.59Å; L198-W337 HydrophobicContact CG-CH2 4.03Å; L198-W337 HydrophobicContact CG-CZ3 4.18Å; L199-W337 HydrophobicContact CD1-CZ2 3.92Å; L199-W337 HydrophobicContact CG-CZ2 3.78Å; W209-W337 WeakPolarHBondContact O-CZ2 3Å; W209-W337 PolarHBondContact O-NE1 3.47Å; I212-W337 HydrophobicContact CG1-CH2 4Å; F223-W337 HydrophobicContact CE1-CH2 4.27Å; F223-W337 HydrophobicContact CE1-CZ3 4.31Å; F223-W337 HydrophobicContact CZ-CH2 4.19Å; L227-W337 HydrophobicContact CD1-CZ3 4.12Å; I252-W337 HydrophobicContact CD1-CB 3.71Å; I252-W337 HydrophobicContact CD1-CD2 3.88Å; I252-W337 HydrophobicContact CD1-CE3 4.43Å; I252-W337 HydrophobicContact CD1-CG 3.52Å; V333-W337 VanDerWaalsContact O-CD1 3.27Å; V333-W337 PolarHBondContact O-N 3.07Å; I334-W337 PolarHBondContact O-N 3.34Å; K335-W337 PolarHBondContact O-N 2.75Å; W337-Q339 VanDerWaalsContact C-N 3.26Å; W337-Q339 PolarHBondContact O-N 3.26Å; W337-K340 PolarHBondContact O-N 3.29Å; W337-L341 HydrophobicContact CE3-CB 4.23Å; W337-L341 HydrophobicContact CE3-CD2 4.44Å; W337-L341 PolarHBondContact O-N 3.04Å; W337-E342 PolarHBondContact O-N 3.06Å; W337-I343 HydrophobicContact CB-CD1 3.65Å; W337-I343 HydrophobicContact CB-CG1 4.19Å; W337-I343 HydrophobicContact CB-CG2 4.5Å
338	K	95.6	Very high	95.8	Very high	53 Å²	53	42 Å²	42	23%	0.23	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-37.5	169.8	-73.4	-173.5	70.1	167.1	0	111.4	I334 K335 F336 E342 I343 D369 D371 F374	I334-K338 HydrophobicContact CG2-CD 4.33Å; I334-K338 HydrophobicContact CG2-CG 4.46Å; I334-K338 WeakPolarHBondContact O-CG 3.33Å; I334-K338 PolarHBondContact O-N 2.91Å; K335-K338 PolarHBondContact O-N 3.47Å; F336-K338 PolarHBondContact O-N 2.77Å; K338-E342 WeakPolarHBondContact O-CA 3.22Å; K338-E342 PolarHBondContact O-N 3.14Å; K338-I343 HydrophobicContact CB-CG1 4.43Å; K338-I343 HydrophobicContact CG-CD1 4.38Å; K338-I343 HydrophobicContact CG-CG1 3.76Å; K338-D369 IonicContact NZ-OD1 2.73Å; K338-D369 PolarHBondContact NZ-OD1 3.04Å; K338-D369 IonicContact NZ-OD2 3.19Å; K338-D369 PolarHBondContact NZ-OD2 3.14Å; K338-D371 IonicContact NZ-OD2 3.91Å; K338-F374 HydrophobicContact CD-CD2 4.38Å; K338-F374 HydrophobicContact CD-CE2 4.29Å; K338-F374 HydrophobicContact CG-CE2 4.41Å
339	Q	95.5	Very high	95.7	Very high	158 Å²	158	39.4 Å²	39.4	74%	0.738	18%	0.179	S	C	*	.	H	α-helix	trans	-77.5	-41.3	178	-173.3	-179.6	5.8	0	0	112.7	K335 F336 W337	K335-Q339 PolarHBondContact O-N 3.46Å; F336-Q339 PolarHBondContact O-N 2.93Å; F336-Q339 VanDerWaalsContact O-N 3.15Å; W337-Q339 VanDerWaalsContact C-N 3.26Å; W337-Q339 PolarHBondContact O-N 3.26Å
340	K	95.7	Very high	95.5	Very high	90 Å²	90	40.7 Å²	40.7	39%	0.391	19%	0.189	S	C	.	.	H	α-helix	trans	-81	-34	-173.5	-68.7	-62.8	-172.9	176.9	0	114.2	F223 F336 W337	F223-K340 HydrophobicContact CD1-CB 4.34Å; F223-K340 HydrophobicContact CD1-CD 4.09Å; F223-K340 HydrophobicContact CD1-CG 4.22Å; F223-K340 HydrophobicContact CE1-CB 4.17Å; F223-K340 HydrophobicContact CE1-CD 4.38Å; F223-K340 HydrophobicContact CE1-CG 4.05Å; F336-K340 HydrophobicContact CD1-CG 4.23Å; F336-K340 HydrophobicContact CD2-CG 4.17Å; F336-K340 HydrophobicContact CE1-CB 4.5Å; F336-K340 HydrophobicContact CE1-CG 3.9Å; F336-K340 HydrophobicContact CE2-CD 4.44Å; F336-K340 HydrophobicContact CE2-CG 3.86Å; F336-K340 HydrophobicContact CG-CG 4.36Å; F336-K340 HydrophobicContact CZ-CD 4.46Å; F336-K340 HydrophobicContact CZ-CG 3.72Å; F336-K340 WeakPolarHBondContact O-CB 3.38Å; F336-K340 WeakPolarHBondContact O-CG 3.19Å; F336-K340 PolarHBondContact O-N 2.86Å; W337-K340 PolarHBondContact O-N 3.29Å
341	L	95.7	Very high	95.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-126.5	1.9	-174.3	-173.3	52.4	0	0	0	113.3	F195 L198 L227 I230 I231 I250 I252 W337 I343	F195-L341 HydrophobicContact CD2-CD2 4.21Å; F195-L341 HydrophobicContact CE2-CD2 4.48Å; L198-L341 HydrophobicContact CD2-CD2 3.71Å; L227-L341 HydrophobicContact CB-CD1 4.34Å; L227-L341 HydrophobicContact CD2-CD1 3.94Å; L227-L341 HydrophobicContact CD2-CD2 4.31Å; I230-L341 HydrophobicContact CG2-CD1 4.4Å; I231-L341 HydrophobicContact CG1-CD1 4.15Å; I250-L341 HydrophobicContact CD1-CD1 4.04Å; I250-L341 HydrophobicContact CG2-CD1 4.4Å; I250-L341 HydrophobicContact CG2-CD2 4.04Å; I250-L341 HydrophobicContact CG2-CG 3.94Å; I252-L341 HydrophobicContact CG2-CD2 3.95Å; W337-L341 HydrophobicContact CE3-CB 4.23Å; W337-L341 HydrophobicContact CE3-CD2 4.44Å; W337-L341 PolarHBondContact O-N 3.04Å; L341-I343 HydrophobicContact CB-CG2 3.94Å; L341-I343 HydrophobicContact CD2-CG2 4.15Å; L341-I343 HydrophobicContact CG-CG2 4Å; L341-I343 PolarHBondContact O-N 3.05Å
342	E	95.2	Very high	95.1	Very high	88 Å²	88	43.2 Å²	43.2	41%	0.411	21%	0.209	S	C	.	.			trans	53.5	37.6	-177.3	-61.7	-173.8	-160.6	0	0	113.1	I231 K235 W337 K338 K344	I231-E342 HydrophobicContact CD1-CG 4.26Å; I231-E342 HydrophobicContact CG2-CG 4.44Å; K235-E342 WeakPolarHBondContact CE-OE2 3.35Å; K235-E342 IonicContact NZ-OE1 3.87Å; K235-E342 PolarHBondContact NZ-OE1 2.74Å; K235-E342 IonicContact NZ-OE2 2.86Å; K235-E342 PolarHBondContact NZ-OE2 2.85Å; W337-E342 PolarHBondContact O-N 3.06Å; K338-E342 WeakPolarHBondContact O-CA 3.22Å; K338-E342 PolarHBondContact O-N 3.14Å; E342-K344 PolarHBondContact O-N 2.62Å
343	I	95.7	Very high	94.8	Very high	2 Å²	2	42 Å²	42	1%	0.01	21%	0.205	C	C	.	.			trans	-61	140.8	-178.8	67.1	167.6	0	0	0	111	I250 I252 W337 K338 L341 L346 F374	I250-I343 HydrophobicContact CG2-CG2 4.42Å; I250-I343 CarbonylContact O-C 3.57Å; I250-I343 WeakPolarHBondContact O-CA 3.31Å; I252-I343 HydrophobicContact CD1-CD1 3.77Å; I252-I343 HydrophobicContact CD1-CG2 4.38Å; I252-I343 HydrophobicContact CG1-CD1 3.88Å; I252-I343 HydrophobicContact CG1-CG2 4.3Å; I252-I343 HydrophobicContact CG2-CG2 3.77Å; W337-I343 HydrophobicContact CB-CD1 3.65Å; W337-I343 HydrophobicContact CB-CG1 4.19Å; W337-I343 HydrophobicContact CB-CG2 4.5Å; K338-I343 HydrophobicContact CB-CG1 4.43Å; K338-I343 HydrophobicContact CG-CD1 4.38Å; K338-I343 HydrophobicContact CG-CG1 3.76Å; L341-I343 HydrophobicContact CB-CG2 3.94Å; L341-I343 HydrophobicContact CD2-CG2 4.15Å; L341-I343 HydrophobicContact CG-CG2 4Å; L341-I343 PolarHBondContact O-N 3.05Å; I343-L346 HydrophobicContact CD1-CD2 3.69Å; I343-L346 HydrophobicContact CD1-CG 4.3Å; I343-F374 HydrophobicContact CD1-CE2 4.38Å; I343-F374 HydrophobicContact CG1-CE2 4.41Å
344	K	94.4	Very high	94.6	Very high	40 Å²	40	42.4 Å²	42.4	17%	0.174	21%	0.207	C	C	.	.			trans	-116.8	9	176	-68.2	-73.1	-177.8	164	0	112.3	W149 T249 I250 E342 D371 E373 F374 I375	W149-K344 HydrophobicContact CZ2-CB 4.08Å; T249-K344 HydrophobicContact CG2-CB 3.38Å; T249-K344 HydrophobicContact CG2-CG 3.89Å; I250-K344 PolarHBondContact O-N 3.32Å; E342-K344 PolarHBondContact O-N 2.62Å; K344-D371 IonicContact NZ-OD1 3.58Å; K344-D371 IonicContact NZ-OD2 3.46Å; K344-D371 PolarHBondContact NZ-OD2 2.96Å; K344-E373 HydrophobicContact CD-CB 4.19Å; K344-E373 WeakPolarHBondContact CE-OE2 3.48Å; K344-E373 IonicContact NZ-OE2 2.78Å; K344-E373 PolarHBondContact NZ-OE2 2.98Å; K344-F374 VanDerWaalsContact O-CA 3.31Å; K344-F374 WeakPolarHBondContact O-CA 3.41Å; K344-I375 PolarHBondContact O-N 2.97Å; K344-I375 VanDerWaalsContact O-N 3.12Å
345	G	94.9	Very high	94.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	173.3	165.6	0	0	0	0	0	115.1	M251 I252 I375	M251-G345 VanDerWaalsContact CA-O 3.27Å; M251-G345 WeakPolarHBondContact CA-O 3.31Å; M251-G345 WeakPolarHBondContact CB-O 3.21Å; I252-G345 PolarHBondContact N-O 2.91Å; G345-I375 CarbonylContact C-O 3.43Å; G345-I375 WeakPolarHBondContact CA-O 3.36Å
346	L	96	Very high	94.1	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.6	-174.8	-67.1	173.2	0	0	0	111.5	I252 L254 I334 I343 L366 F374 I375 W376 F377	I252-L346 HydrophobicContact CD1-CD2 3.87Å; I252-L346 HydrophobicContact CG1-CD2 3.28Å; I252-L346 VanDerWaalsContact O-CA 3.31Å; I252-L346 WeakPolarHBondContact O-CA 3.35Å; L254-L346 HydrophobicContact CB-CD2 4.3Å; L254-L346 HydrophobicContact CD2-CD1 4.24Å; L254-L346 HydrophobicContact CD2-CD2 4.48Å; I334-L346 HydrophobicContact CD1-CD1 3.97Å; I334-L346 HydrophobicContact CG1-CD1 3.85Å; I334-L346 HydrophobicContact CG2-CD1 4.16Å; I343-L346 HydrophobicContact CD1-CD2 3.69Å; I343-L346 HydrophobicContact CD1-CG 4.3Å; L346-L366 HydrophobicContact CD1-CD2 3.92Å; L346-F374 HydrophobicContact CB-CZ 4.46Å; L346-F374 HydrophobicContact CD1-CE1 4.31Å; L346-F374 HydrophobicContact CD1-CZ 3.64Å; L346-F374 HydrophobicContact CG-CE2 4.38Å; L346-F374 HydrophobicContact CG-CZ 3.66Å; L346-I375 PolarHBondContact N-O 2.87Å; L346-W376 HydrophobicContact CB-CB 4.18Å; L346-W376 WeakPolarHBondContact O-CA 3.34Å; L346-F377 PolarHBondContact O-N 3.35Å; L346-F377 VanDerWaalsContact O-N 3.16Å
347	M	96.5	Very high	93.8	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.1	162.8	-174.8	177.8	71.9	0	0	108.8	L194 T196 I252 G253 L254 M349 F377 D379	L194-M347 HydrophobicContact CD1-CB 3.93Å; L194-M347 HydrophobicContact CD2-CB 3.95Å; L194-M347 HydrophobicContact CD2-CE 3.83Å; L194-M347 HydrophobicContact CD2-CG 4.41Å; L194-M347 HydrophobicContact CD2-SD 3.63Å; T196-M347 HydrophobicContact CG2-CE 3.91Å; I252-M347 PolarHBondContact O-N 2.87Å; G253-M347 CarbonylContact C-O 3.53Å; G253-M347 WeakPolarHBondContact CA-O 3.37Å; L254-M347 PolarHBondContact N-O 3.21Å; M347-M349 HydrophobicContact CE-CG 4.18Å; M347-M349 PolarHBondContact O-N 3.41Å; M347-F377 CarbonylContact C-O 3.58Å; M347-F377 WeakPolarHBondContact CA-O 3.48Å; M347-F377 HydrophobicContact CB-CE2 4.11Å; M347-F377 HydrophobicContact CB-CZ 4.15Å; M347-F377 HydrophobicContact CG-CD2 4.02Å; M347-F377 HydrophobicContact CG-CE2 3.59Å; M347-F377 HydrophobicContact CG-CZ 4.12Å; M347-F377 HydrophobicContact SD-CE2 3.67Å; M347-F377 HydrophobicContact SD-CZ 4.2Å; M347-D379 HydrophobicContact CE-CB 4.18Å; M347-D379 HydrophobicContact CG-CB 4.07Å; M347-D379 HydrophobicContact SD-CB 3.82Å
348	I	95.9	Very high	93.7	Very high	3 Å²	3	48 Å²	48	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	112.2	173.3	-53.3	170.8	0	0	0	107.8	L254 I256 I354 I362 L366 W376 F377 A378 D379 V387	L254-I348 WeakPolarHBondContact O-CA 3.11Å; I256-I348 HydrophobicContact CG2-CG2 3.91Å; I348-I354 HydrophobicContact CG2-CD1 3.77Å; I348-I362 HydrophobicContact CD1-CG2 4Å; I348-L366 HydrophobicContact CD1-CD1 3.71Å; I348-L366 HydrophobicContact CG1-CD1 4.17Å; I348-W376 HydrophobicContact CD1-CE3 4.09Å; I348-W376 HydrophobicContact CD1-CZ3 4.14Å; I348-F377 PolarHBondContact N-O 3.04Å; I348-A378 HydrophobicContact CB-CB 4.28Å; I348-A378 HydrophobicContact CD1-CB 4.46Å; I348-D379 VanDerWaalsContact O-CG 3.24Å; I348-D379 PolarHBondContact O-N 2.97Å; I348-D379 VanDerWaalsContact O-N 3.09Å; I348-V387 HydrophobicContact CD1-CG1 4.35Å
349	M	94	Very high	93.6	Very high	30 Å²	30	46.1 Å²	46.1	15%	0.148	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	147.9	-178	-68.1	-175.2	69.7	0	0	111.9	T196 G253 L254 Y257 M347 S351 D379	T196-M349 HydrophobicContact CG2-CE 3.96Å; T196-M349 HydrophobicContact CG2-SD 3.92Å; G253-M349 VanDerWaalsContact CA-SD 3.53Å; L254-M349 PolarHBondContact O-N 2.98Å; Y257-M349 WeakPolarHBondContact CE1-O 3.35Å; M347-M349 HydrophobicContact CE-CG 4.18Å; M347-M349 PolarHBondContact O-N 3.41Å; M349-S351 PolarHBondContact O-N 3.18Å; M349-D379 WeakPolarHBondContact CA-OD2 3.29Å
350	N	91	Very high	93.5	Very high	94 Å²	94	42.7 Å²	42.7	50%	0.503	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	39.9	-179.5	-61.5	-29	0	0	0	111.6	Y257 S352 D379	Y257-N350 VanDerWaalsContact CE1-O 3.23Å; Y257-N350 WeakPolarHBondContact CE1-O 3.35Å; Y257-N350 VanDerWaalsContact CZ-O 3.23Å; Y257-N350 VanDerWaalsContact OH-CB 3.31Å; Y257-N350 WeakPolarHBondContact OH-CB 3.32Å; Y257-N350 PolarHBondContact OH-O 2.78Å; N350-S352 PolarHBondContact O-N 3.37Å; N350-S352 VanDerWaalsContact O-N 3.12Å; N350-D379 PolarHBondContact N-OD2 3.16Å
351	S	93.4	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-68.5	-13.3	-168.8	70.4	0	0	0	0	114	M349 N353 I354 D379 E380	M349-S351 PolarHBondContact O-N 3.18Å; S351-N353 PolarHBondContact O-N 3.35Å; S351-N353 VanDerWaalsContact O-N 3.07Å; S351-I354 VanDerWaalsContact O-CB 3.27Å; S351-I354 WeakPolarHBondContact O-CB 3.4Å; S351-I354 VanDerWaalsContact O-CG1 3.29Å; S351-I354 WeakPolarHBondContact O-CG1 3.39Å; S351-I354 PolarHBondContact O-N 3.1Å; S351-D379 WeakPolarHBondContact CB-OD1 3.48Å; S351-D379 PolarHBondContact N-OD1 3.23Å; S351-D379 PolarHBondContact OG-OD1 2.88Å; S351-E380 WeakPolarHBondContact OG-CB 3.48Å; S351-E380 PolarHBondContact OG-N 2.82Å
352	S	91.2	Very high	93.4	Very high	80 Å²	80	38.5 Å²	38.5	56%	0.559	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-56.3	-23	177.1	58.3	0	0	0	0	114.7	N350	N350-S352 PolarHBondContact O-N 3.37Å; N350-S352 VanDerWaalsContact O-N 3.12Å
353	N	89.2	Confident	93.3	Very high	50 Å²	50	37.5 Å²	37.5	27%	0.267	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-90.7	0.7	176.7	-67.1	-56.5	0	0	0	114.1	Y257 A310 S351	Y257-N353 HydrophobicContact CE2-CB 3.74Å; Y257-N353 PolarHBondContact OH-ND2 3.26Å; A310-N353 HydrophobicContact CB-CB 4.29Å; S351-N353 PolarHBondContact O-N 3.35Å; S351-N353 VanDerWaalsContact O-N 3.07Å
354	I	92.4	Very high	93.2	Very high	11 Å²	11	42.9 Å²	42.9	6%	0.056	22%	0.219	C	C	.	.			trans	-70.6	133.8	178.8	-65.9	174.2	0	0	0	109.9	Y257 I348 S351 M358 I362 I383 M386 V387	Y257-I354 HydrophobicContact CD1-CD1 4.07Å; Y257-I354 HydrophobicContact CD1-CG1 3.57Å; Y257-I354 HydrophobicContact CE1-CG1 4.06Å; Y257-I354 HydrophobicContact CG-CG1 3.97Å; I348-I354 HydrophobicContact CG2-CD1 3.77Å; S351-I354 VanDerWaalsContact O-CB 3.27Å; S351-I354 WeakPolarHBondContact O-CB 3.4Å; S351-I354 VanDerWaalsContact O-CG1 3.29Å; S351-I354 WeakPolarHBondContact O-CG1 3.39Å; S351-I354 PolarHBondContact O-N 3.1Å; I354-M358 HydrophobicContact CG2-CB 4.41Å; I354-I362 HydrophobicContact CD1-CD1 3.93Å; I354-I362 HydrophobicContact CG1-CD1 4.32Å; I354-I362 HydrophobicContact CG2-CD1 3.75Å; I354-I383 HydrophobicContact CB-CG2 4.18Å; I354-I383 HydrophobicContact CD1-CG2 3.98Å; I354-M386 HydrophobicContact CG2-CE 3.99Å; I354-V387 HydrophobicContact CG2-CG2 4.26Å
355	L	90.6	Very high	93.1	Very high	43 Å²	43	41.1 Å²	41.1	23%	0.225	21%	0.212	C	C	.	.			trans	-99.6	151.2	179.4	-58.9	164.5	0	0	0	110.6	L318 E357 M358	L318-L355 HydrophobicContact CD1-CD1 3.62Å; L355-E357 HydrophobicContact CB-CG 3.97Å; L355-E357 PolarHBondContact O-N 3.17Å; L355-M358 HydrophobicContact CB-CG 4.27Å; L355-M358 HydrophobicContact CB-SD 4.15Å; L355-M358 HydrophobicContact CD1-CE 3.99Å; L355-M358 HydrophobicContact CD1-SD 4.39Å; L355-M358 HydrophobicContact CG-SD 4.41Å; L355-M358 VanDerWaalsContact O-CB 3.32Å; L355-M358 WeakPolarHBondContact O-CB 3.43Å; L355-M358 PolarHBondContact O-N 3.2Å
356	E	90.6	Very high	93	Very high	160 Å²	160	41.4 Å²	41.4	75%	0.748	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-56.5	-37.7	179.6	-70	179.8	-170.9	0	0	112.8	M358 V359 M386	E356-M358 PolarHBondContact O-N 2.75Å; E356-M358 VanDerWaalsContact O-N 3.17Å; E356-V359 WeakPolarHBondContact O-CB 3.47Å; E356-V359 WeakPolarHBondContact O-CG2 3.34Å; E356-V359 PolarHBondContact O-N 3.29Å; E356-V359 VanDerWaalsContact O-N 3.13Å; E356-M386 HydrophobicContact CG-SD 3.83Å
357	E	90.4	Very high	92.7	Very high	92 Å²	92	44.5 Å²	44.5	43%	0.43	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-61.2	-23.1	177.3	66.6	-173.6	-148.3	0	0	113.7	R308 L355	R308-E357 IonicContact CZ-OE1 2.7Å; R308-E357 IonicContact CZ-OE2 3.99Å; R308-E357 IonicContact NE-OE1 2.81Å; R308-E357 IonicContact NH1-OE1 3.93Å; R308-E357 PolarHBondContact NH1-OE1 2.76Å; R308-E357 IonicContact NH1-OE2 3.39Å; R308-E357 PolarHBondContact NH1-OE2 3.33Å; R308-E357 IonicContact NH2-OE2 2.82Å; L355-E357 HydrophobicContact CB-CG 3.97Å; L355-E357 PolarHBondContact O-N 3.17Å
358	M	94	Very high	92.2	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.02	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-83.4	-22.9	179.9	-66.4	174.4	166.6	0	0	112.6	I282 L318 L321 I354 L355 E356 P360 G361 I362	I282-M358 HydrophobicContact CD1-CE 4.38Å; L318-M358 HydrophobicContact CB-CE 3.67Å; L318-M358 HydrophobicContact CD1-CE 3.6Å; L318-M358 HydrophobicContact CD2-CE 4.13Å; L318-M358 HydrophobicContact CG-CE 3.97Å; L321-M358 HydrophobicContact CD1-CB 3.76Å; L321-M358 HydrophobicContact CD1-CG 3.99Å; L321-M358 HydrophobicContact CD1-SD 4.29Å; I354-M358 HydrophobicContact CG2-CB 4.41Å; L355-M358 HydrophobicContact CB-CG 4.27Å; L355-M358 HydrophobicContact CB-SD 4.15Å; L355-M358 HydrophobicContact CD1-CE 3.99Å; L355-M358 HydrophobicContact CD1-SD 4.39Å; L355-M358 HydrophobicContact CG-SD 4.41Å; L355-M358 VanDerWaalsContact O-CB 3.32Å; L355-M358 WeakPolarHBondContact O-CB 3.43Å; L355-M358 PolarHBondContact O-N 3.2Å; E356-M358 PolarHBondContact O-N 2.75Å; E356-M358 VanDerWaalsContact O-N 3.17Å; M358-P360 VanDerWaalsContact C-CD 3.5Å; M358-G361 PolarHBondContact O-N 3.35Å; M358-I362 HydrophobicContact CB-CD1 4.2Å; M358-I362 WeakPolarHBondContact O-CG1 3.29Å; M358-I362 PolarHBondContact O-N 2.89Å
359	V	93.7	Very high	91.4	Very high	15 Å²	15	49.5 Å²	49.5	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-53.9	-46	-172	176.6	0	0	0	0	112.8	E356 G361 I362 R363 M386 V387	E356-V359 WeakPolarHBondContact O-CB 3.47Å; E356-V359 WeakPolarHBondContact O-CG2 3.34Å; E356-V359 PolarHBondContact O-N 3.29Å; E356-V359 VanDerWaalsContact O-N 3.13Å; V359-G361 VanDerWaalsContact C-N 3.32Å; V359-G361 PolarHBondContact O-N 3.43Å; V359-I362 PolarHBondContact O-N 3.43Å; V359-R363 HydrophobicContact CG1-CG 4.34Å; V359-R363 WeakPolarHBondContact O-CB 3.41Å; V359-R363 WeakPolarHBondContact O-CG 3.45Å; V359-R363 PolarHBondContact O-N 3.17Å; V359-M386 HydrophobicContact CG2-CE 3.71Å; V359-M386 HydrophobicContact CG2-CG 4.09Å; V359-M386 HydrophobicContact CG2-SD 4.16Å; V359-V387 HydrophobicContact CG2-CG2 4.21Å
360	P	93.8	Very high	90.6	Very high	86 Å²	86	54.5 Å²	54.5	56%	0.558	29%	0.292	S	S	*	.	H	α-helix	trans	-60.9	-40.4	178.5	-23.1	35.2	0	0	0	112.8	M358 K364	M358-P360 VanDerWaalsContact C-CD 3.5Å; P360-K364 WeakPolarHBondContact O-CB 3.38Å; P360-K364 PolarHBondContact O-N 2.94Å
361	G	94.5	Very high	90.3	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-46.8	177.6	0	0	0	0	0	112.3	L321 M358 V359 R363 K364 I365	L321-G361 VanDerWaalsContact O-CA 3.31Å; L321-G361 WeakPolarHBondContact O-CA 3.44Å; M358-G361 PolarHBondContact O-N 3.35Å; V359-G361 VanDerWaalsContact C-N 3.32Å; V359-G361 PolarHBondContact O-N 3.43Å; G361-R363 PolarHBondContact O-N 2.81Å; G361-K364 PolarHBondContact O-N 3Å; G361-I365 WeakPolarHBondContact O-CD1 3.44Å; G361-I365 VanDerWaalsContact O-CG1 3.32Å; G361-I365 WeakPolarHBondContact O-CG1 3.37Å; G361-I365 PolarHBondContact O-N 3.38Å
362	I	94.4	Very high	89.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-48.3	176.9	-63.2	177.5	0	0	0	110.7	I256 L321 I348 I354 M358 V359 K364 I365 L366 V387	I256-I362 HydrophobicContact CG2-CD1 4.24Å; I256-I362 HydrophobicContact CG2-CG1 4.26Å; I256-I362 HydrophobicContact CG2-CG2 4.46Å; L321-I362 HydrophobicContact CD1-CD1 4.15Å; L321-I362 HydrophobicContact CD1-CG1 3.62Å; I348-I362 HydrophobicContact CD1-CG2 4Å; I354-I362 HydrophobicContact CD1-CD1 3.93Å; I354-I362 HydrophobicContact CG1-CD1 4.32Å; I354-I362 HydrophobicContact CG2-CD1 3.75Å; M358-I362 HydrophobicContact CB-CD1 4.2Å; M358-I362 WeakPolarHBondContact O-CG1 3.29Å; M358-I362 PolarHBondContact O-N 2.89Å; V359-I362 PolarHBondContact O-N 3.43Å; I362-K364 VanDerWaalsContact C-N 3.31Å; I362-K364 PolarHBondContact O-N 3.39Å; I362-I365 PolarHBondContact O-N 3.23Å; I362-L366 HydrophobicContact CG2-CD1 3.55Å; I362-L366 HydrophobicContact CG2-CG 4.24Å; I362-L366 WeakPolarHBondContact O-CG 3.5Å; I362-L366 PolarHBondContact O-N 3.15Å; I362-V387 HydrophobicContact CB-CG1 4.18Å; I362-V387 HydrophobicContact CG2-CG1 3.58Å
363	R	92.8	Very high	89.6	Confident	67 Å²	67	57.3 Å²	57.3	25%	0.253	30%	0.298	S	S	.	.	H	α-helix	trans	-59.6	-43.1	178.4	-74.4	178.7	-179	-171.9	3.8	111.9	V359 G361 I365 L366 N367 M386 V387	V359-R363 HydrophobicContact CG1-CG 4.34Å; V359-R363 WeakPolarHBondContact O-CB 3.41Å; V359-R363 WeakPolarHBondContact O-CG 3.45Å; V359-R363 PolarHBondContact O-N 3.17Å; G361-R363 PolarHBondContact O-N 2.81Å; R363-I365 VanDerWaalsContact C-N 3.33Å; R363-I365 PolarHBondContact O-N 3.29Å; R363-L366 PolarHBondContact O-N 2.78Å; R363-N367 WeakPolarHBondContact O-CB 3.5Å; R363-N367 VanDerWaalsContact O-CG 3.26Å; R363-N367 PolarHBondContact O-N 2.76Å; R363-M386 PolarHBondContact NH2-O 3.36Å; R363-V387 WeakPolarHBondContact CG-O 3.34Å; R363-V387 PolarHBondContact NE-O 3.05Å; R363-V387 PolarHBondContact NH2-O 3.13Å
364	K	92.7	Very high	89.8	Confident	115 Å²	115	55.3 Å²	55.3	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-42	178.3	-173.6	168.9	168.4	-156.7	0	111.5	P360 G361 I362 T368	P360-K364 WeakPolarHBondContact O-CB 3.38Å; P360-K364 PolarHBondContact O-N 2.94Å; G361-K364 PolarHBondContact O-N 3Å; I362-K364 VanDerWaalsContact C-N 3.31Å; I362-K364 PolarHBondContact O-N 3.39Å; K364-T368 PolarHBondContact O-N 3.47Å; K364-T368 PolarHBondContact O-OG1 3.35Å
365	I	93.8	Very high	89.9	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-51.5	176.9	-65.8	159.1	0	0	0	111	I256 L321 Q327 M330 I331 I334 G361 I362 R363	I256-I365 HydrophobicContact CD1-CB 4.16Å; I256-I365 HydrophobicContact CD1-CD1 4.14Å; I256-I365 HydrophobicContact CD1-CG2 3.68Å; I256-I365 HydrophobicContact CG1-CD1 4.39Å; L321-I365 HydrophobicContact CD2-CD1 3.83Å; Q327-I365 HydrophobicContact CB-CD1 4.43Å; Q327-I365 HydrophobicContact CB-CG1 3.91Å; Q327-I365 HydrophobicContact CG-CD1 4.2Å; Q327-I365 HydrophobicContact CG-CG1 4.01Å; M330-I365 HydrophobicContact CB-CD1 3.81Å; M330-I365 HydrophobicContact CB-CG1 4.15Å; M330-I365 HydrophobicContact CB-CG2 3.8Å; M330-I365 HydrophobicContact CG-CD1 4.11Å; I331-I365 HydrophobicContact CG1-CB 4.47Å; I331-I365 HydrophobicContact CG1-CG2 4.1Å; I334-I365 HydrophobicContact CD1-CG2 3.65Å; G361-I365 WeakPolarHBondContact O-CD1 3.44Å; G361-I365 VanDerWaalsContact O-CG1 3.32Å; G361-I365 WeakPolarHBondContact O-CG1 3.37Å; G361-I365 PolarHBondContact O-N 3.38Å; I362-I365 PolarHBondContact O-N 3.23Å; R363-I365 VanDerWaalsContact C-N 3.33Å; R363-I365 PolarHBondContact O-N 3.29Å
366	L	92.7	Very high	90.1	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-80.7	-24.7	-170.5	-63	176.2	0	0	0	114.1	I256 I334 L346 I348 I362 R363 W376	I256-L366 HydrophobicContact CD1-CD1 4.45Å; I256-L366 HydrophobicContact CD1-CD2 3.99Å; I256-L366 HydrophobicContact CD1-CG 4.1Å; I334-L366 HydrophobicContact CD1-CD2 3.71Å; L346-L366 HydrophobicContact CD1-CD2 3.92Å; I348-L366 HydrophobicContact CD1-CD1 3.71Å; I348-L366 HydrophobicContact CG1-CD1 4.17Å; I362-L366 HydrophobicContact CG2-CD1 3.55Å; I362-L366 HydrophobicContact CG2-CG 4.24Å; I362-L366 WeakPolarHBondContact O-CG 3.5Å; I362-L366 PolarHBondContact O-N 3.15Å; R363-L366 PolarHBondContact O-N 2.78Å; L366-W376 HydrophobicContact CB-CD2 3.89Å; L366-W376 HydrophobicContact CB-CG 4.04Å; L366-W376 HydrophobicContact CB-CZ2 4.04Å; L366-W376 HydrophobicContact CD1-CD2 3.57Å; L366-W376 HydrophobicContact CD1-CE3 3.5Å; L366-W376 VanDerWaalsContact CD1-CE3 3.5Å; L366-W376 HydrophobicContact CD1-CG 4.04Å; L366-W376 HydrophobicContact CD1-CH2 4.28Å; L366-W376 HydrophobicContact CD1-CZ2 4.35Å; L366-W376 HydrophobicContact CD1-CZ3 3.88Å; L366-W376 HydrophobicContact CG-CD2 4.3Å; L366-W376 HydrophobicContact CG-CG 4.46Å
367	N	89.7	Confident	90.3	Very high	67 Å²	67	45.6 Å²	45.6	36%	0.358	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3.9	178.2	-63.1	-13.8	0	0	0	113.5	R363 D369 W376 Q391	R363-N367 WeakPolarHBondContact O-CB 3.5Å; R363-N367 VanDerWaalsContact O-CG 3.26Å; R363-N367 PolarHBondContact O-N 2.76Å; N367-D369 PolarHBondContact O-N 2.56Å; N367-W376 WeakPolarHBondContact OD1-CZ2 3.42Å; N367-W376 PolarHBondContact OD1-NE1 2.81Å; N367-Q391 PolarHBondContact ND2-NE2 2.86Å; N367-Q391 PolarHBondContact OD1-NE2 3.45Å; N367-Q391 PolarHBondContact OD1-OE1 3.37Å
368	T	85.1	Confident	90.5	Very high	70 Å²	70	41.2 Å²	41.2	43%	0.429	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.7	174.1	-64.8	0	0	0	0	111.5	I331 K364 T370	I331-T368 HydrophobicContact CD1-CG2 4.16Å; I331-T368 HydrophobicContact CG2-CG2 4.4Å; K364-T368 PolarHBondContact O-N 3.47Å; K364-T368 PolarHBondContact O-OG1 3.35Å; T368-T370 PolarHBondContact O-N 2.89Å
369	D	79.1	Confident	90.5	Very high	44 Å²	44	42.4 Å²	42.4	24%	0.235	23%	0.226	C	C	.	.			trans	-76.1	123.1	-178.2	-158.5	-10.4	0	0	0	111.8	K338 N367 D371 F374	K338-D369 IonicContact NZ-OD1 2.73Å; K338-D369 PolarHBondContact NZ-OD1 3.04Å; K338-D369 IonicContact NZ-OD2 3.19Å; K338-D369 PolarHBondContact NZ-OD2 3.14Å; N367-D369 PolarHBondContact O-N 2.56Å; D369-D371 VanDerWaalsContact C-N 3.33Å; D369-D371 WeakPolarHBondContact OD1-CB 3.21Å; D369-D371 PolarHBondContact OD1-N 3.01Å; D369-D371 VanDerWaalsContact OD1-N 3.12Å; D369-F374 HydrophobicContact CB-CD1 4.25Å; D369-F374 VanDerWaalsContact OD2-CG 3.28Å; D369-F374 WeakPolarHBondContact OD2-CG 3.46Å
370	T	77.3	Confident	90.5	Very high	135 Å²	135	44.7 Å²	44.7	83%	0.828	24%	0.236	S	C	*	.			trans	-87.7	-2.1	177.9	59.9	0	0	0	0	112.7	T368 D372	T368-T370 PolarHBondContact O-N 2.89Å; T370-D372 PolarHBondContact O-N 3.34Å
371	D	84.5	Confident	90.3	Very high	39 Å²	39	41.6 Å²	41.6	21%	0.209	22%	0.216	C	C	.	.			trans	-69.7	112.6	177.7	-173	-7.1	0	0	0	110.5	K338 K344 D369 E373 F374 K392	K338-D371 IonicContact NZ-OD2 3.91Å; K344-D371 IonicContact NZ-OD1 3.58Å; K344-D371 IonicContact NZ-OD2 3.46Å; K344-D371 PolarHBondContact NZ-OD2 2.96Å; D369-D371 VanDerWaalsContact C-N 3.33Å; D369-D371 WeakPolarHBondContact OD1-CB 3.21Å; D369-D371 PolarHBondContact OD1-N 3.01Å; D369-D371 VanDerWaalsContact OD1-N 3.12Å; D371-E373 PolarHBondContact O-N 3.43Å; D371-E373 WeakPolarHBondContact OD1-CB 3.42Å; D371-E373 PolarHBondContact OD1-N 3.22Å; D371-F374 HydrophobicContact CB-CB 4Å; D371-F374 PolarHBondContact O-N 3.45Å; D371-K392 PolarHBondContact O-NZ 2.81Å
372	D	84.1	Confident	90.1	Very high	127 Å²	127	50.1 Å²	50.1	68%	0.679	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.5	177.3	-80.9	-25.7	0	0	0	112.9	W150 T370 K392	W150-D372 PolarHBondContact NE1-O 2.89Å; T370-D372 PolarHBondContact O-N 3.34Å; D372-K392 WeakPolarHBondContact O-CE 3.45Å; D372-K392 PolarHBondContact O-NZ 2.99Å
373	E	87.2	Confident	90	Very high	67 Å²	67	51 Å²	51	31%	0.313	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-16	176.7	-58.1	-168.7	142	0	0	113.7	W149 K344 D371	W149-E373 PolarHBondContact NE1-O 3.17Å; K344-E373 HydrophobicContact CD-CB 4.19Å; K344-E373 WeakPolarHBondContact CE-OE2 3.48Å; K344-E373 IonicContact NZ-OE2 2.78Å; K344-E373 PolarHBondContact NZ-OE2 2.98Å; D371-E373 PolarHBondContact O-N 3.43Å; D371-E373 WeakPolarHBondContact OD1-CB 3.42Å; D371-E373 PolarHBondContact OD1-N 3.22Å
374	F	92.6	Very high	90	Very high	8 Å²	8	48 Å²	48	4%	0.035	25%	0.246	C	C	.	.			trans	-78.2	126.8	179.1	-169.3	-94.3	0	0	0	111	I334 K338 I343 K344 L346 D369 D371 K392	I334-F374 HydrophobicContact CG2-CZ 4.05Å; K338-F374 HydrophobicContact CD-CD2 4.38Å; K338-F374 HydrophobicContact CD-CE2 4.29Å; K338-F374 HydrophobicContact CG-CE2 4.41Å; I343-F374 HydrophobicContact CD1-CE2 4.38Å; I343-F374 HydrophobicContact CG1-CE2 4.41Å; K344-F374 VanDerWaalsContact O-CA 3.31Å; K344-F374 WeakPolarHBondContact O-CA 3.41Å; L346-F374 HydrophobicContact CB-CZ 4.46Å; L346-F374 HydrophobicContact CD1-CE1 4.31Å; L346-F374 HydrophobicContact CD1-CZ 3.64Å; L346-F374 HydrophobicContact CG-CE2 4.38Å; L346-F374 HydrophobicContact CG-CZ 3.66Å; D369-F374 HydrophobicContact CB-CD1 4.25Å; D369-F374 VanDerWaalsContact OD2-CG 3.28Å; D369-F374 WeakPolarHBondContact OD2-CG 3.46Å; D371-F374 HydrophobicContact CB-CB 4Å; D371-F374 PolarHBondContact O-N 3.45Å; F374-K392 PolarHBondContact O-NZ 3.15Å
375	I	93.6	Very high	89.8	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.7	177.1	60.8	158.6	0	0	0	112.1	W149 W150 M251 K344 G345 L346 K392 V393 I430	W149-I375 HydrophobicContact CH2-CD1 3.69Å; W149-I375 HydrophobicContact CH2-CG1 3.87Å; W149-I375 HydrophobicContact CZ2-CD1 4.06Å; W149-I375 HydrophobicContact CZ2-CG1 3.78Å; W149-I375 HydrophobicContact CZ3-CD1 4.46Å; W150-I375 HydrophobicContact CB-CD1 3.78Å; W150-I375 HydrophobicContact CB-CG1 4.37Å; W150-I375 HydrophobicContact CB-CG2 3.88Å; W150-I375 HydrophobicContact CD2-CG2 3.84Å; W150-I375 HydrophobicContact CG-CG2 3.4Å; W150-I375 VanDerWaalsContact CG-CG2 3.4Å; M251-I375 HydrophobicContact CE-CD1 3.89Å; M251-I375 HydrophobicContact CE-CG1 3.99Å; M251-I375 HydrophobicContact SD-CD1 4.34Å; K344-I375 PolarHBondContact O-N 2.97Å; K344-I375 VanDerWaalsContact O-N 3.12Å; G345-I375 CarbonylContact C-O 3.43Å; G345-I375 WeakPolarHBondContact CA-O 3.36Å; L346-I375 PolarHBondContact N-O 2.87Å; I375-K392 HydrophobicContact CG2-CB 4.21Å; I375-K392 HydrophobicContact CG2-CD 4.14Å; I375-V393 HydrophobicContact CB-CG1 4.32Å; I375-V393 HydrophobicContact CB-CG2 4.07Å; I375-V393 HydrophobicContact CD1-CG1 4.05Å; I375-V393 HydrophobicContact CD1-CG2 4.28Å; I375-V393 HydrophobicContact CG2-CG1 4.02Å; I375-I430 HydrophobicContact CD1-CD1 4.47Å
376	W	94.7	Very high	89.7	Confident	9 Å²	9	46.4 Å²	46.4	3%	0.034	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154.6	169.8	60.8	-90.4	0	0	0	110.8	L346 I348 L366 N367 V387 N388 Q391 V393	L346-W376 HydrophobicContact CB-CB 4.18Å; L346-W376 WeakPolarHBondContact O-CA 3.34Å; I348-W376 HydrophobicContact CD1-CE3 4.09Å; I348-W376 HydrophobicContact CD1-CZ3 4.14Å; L366-W376 HydrophobicContact CB-CD2 3.89Å; L366-W376 HydrophobicContact CB-CG 4.04Å; L366-W376 HydrophobicContact CB-CZ2 4.04Å; L366-W376 HydrophobicContact CD1-CD2 3.57Å; L366-W376 HydrophobicContact CD1-CE3 3.5Å; L366-W376 VanDerWaalsContact CD1-CE3 3.5Å; L366-W376 HydrophobicContact CD1-CG 4.04Å; L366-W376 HydrophobicContact CD1-CH2 4.28Å; L366-W376 HydrophobicContact CD1-CZ2 4.35Å; L366-W376 HydrophobicContact CD1-CZ3 3.88Å; L366-W376 HydrophobicContact CG-CD2 4.3Å; L366-W376 HydrophobicContact CG-CG 4.46Å; N367-W376 WeakPolarHBondContact OD1-CZ2 3.42Å; N367-W376 PolarHBondContact OD1-NE1 2.81Å; W376-V387 HydrophobicContact CH2-CG1 3.86Å; W376-V387 HydrophobicContact CZ3-CB 4.4Å; W376-V387 HydrophobicContact CZ3-CG1 3.73Å; W376-N388 HydrophobicContact CH2-CB 4.01Å; W376-N388 WeakPolarHBondContact CH2-OD1 3.46Å; W376-N388 WeakPolarHBondContact CZ2-OD1 3.33Å; W376-N388 HydrophobicContact CZ3-CB 3.82Å; W376-N388 VanDerWaalsContact CZ3-OD1 3.28Å; W376-N388 WeakPolarHBondContact CZ3-OD1 3.29Å; W376-N388 PolarHBondContact O-ND2 3.12Å; W376-Q391 HydrophobicContact CH2-CG 4.34Å; W376-Q391 HydrophobicContact CZ2-CG 3.84Å; W376-V393 WeakPolarHBondContact O-CG2 3.47Å
377	F	95	Very high	89.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	162.1	175.4	59.5	-88.2	0	0	0	109.9	L194 M251 L346 M347 I348 D384 V393 L395 I430 L458	L194-F377 HydrophobicContact CD2-CZ 4.38Å; M251-F377 HydrophobicContact CE-CD1 4.29Å; M251-F377 HydrophobicContact CE-CE1 3.57Å; M251-F377 HydrophobicContact CE-CZ 4.43Å; L346-F377 PolarHBondContact O-N 3.35Å; L346-F377 VanDerWaalsContact O-N 3.16Å; M347-F377 CarbonylContact C-O 3.58Å; M347-F377 WeakPolarHBondContact CA-O 3.48Å; M347-F377 HydrophobicContact CB-CE2 4.11Å; M347-F377 HydrophobicContact CB-CZ 4.15Å; M347-F377 HydrophobicContact CG-CD2 4.02Å; M347-F377 HydrophobicContact CG-CE2 3.59Å; M347-F377 HydrophobicContact CG-CZ 4.12Å; M347-F377 HydrophobicContact SD-CE2 3.67Å; M347-F377 HydrophobicContact SD-CZ 4.2Å; I348-F377 PolarHBondContact N-O 3.04Å; F377-D384 WeakPolarHBondContact CA-OD1 3.38Å; F377-D384 VanDerWaalsContact CB-OD1 3.27Å; F377-D384 WeakPolarHBondContact CB-OD1 3.48Å; F377-V393 HydrophobicContact CB-CG2 4.28Å; F377-V393 HydrophobicContact CD1-CG2 4.33Å; F377-L395 HydrophobicContact CD2-CB 4.43Å; F377-L395 HydrophobicContact CD2-CD1 4.34Å; F377-L395 HydrophobicContact CE2-CD1 4.32Å; F377-I430 HydrophobicContact CD1-CD1 3.5Å; F377-I430 HydrophobicContact CE1-CD1 3.55Å; F377-I430 HydrophobicContact CG-CD1 4.11Å; F377-I430 HydrophobicContact CZ-CD1 4.2Å; F377-L458 HydrophobicContact CE2-CD2 4.17Å; F377-L458 HydrophobicContact CZ-CD2 4.29Å
378	A	95.5	Very high	89.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	148	172.5	0	0	0	0	0	111.3	I348 E380 I383 D384 L395	I348-A378 HydrophobicContact CB-CB 4.28Å; I348-A378 HydrophobicContact CD1-CB 4.46Å; A378-E380 PolarHBondContact O-N 3.3Å; A378-I383 HydrophobicContact CB-CB 4.36Å; A378-I383 HydrophobicContact CB-CG2 4.15Å; A378-D384 HydrophobicContact CB-CB 3.94Å; A378-D384 PolarHBondContact N-OD1 3.46Å; A378-L395 WeakPolarHBondContact O-CD2 3.44Å
379	D	94.4	Very high	88.8	Confident	29 Å²	29	44.3 Å²	44.3	16%	0.155	23%	0.232	C	C	.	.	S	Bend	trans	-67.2	-16.1	-179.1	62.5	-6.9	0	0	0	114.7	M347 I348 M349 N350 S351 L395 R434	M347-D379 HydrophobicContact CE-CB 4.18Å; M347-D379 HydrophobicContact CG-CB 4.07Å; M347-D379 HydrophobicContact SD-CB 3.82Å; I348-D379 VanDerWaalsContact O-CG 3.24Å; I348-D379 PolarHBondContact O-N 2.97Å; I348-D379 VanDerWaalsContact O-N 3.09Å; M349-D379 WeakPolarHBondContact CA-OD2 3.29Å; N350-D379 PolarHBondContact N-OD2 3.16Å; S351-D379 WeakPolarHBondContact CB-OD1 3.48Å; S351-D379 PolarHBondContact N-OD1 3.23Å; S351-D379 PolarHBondContact OG-OD1 2.88Å; D379-L395 WeakPolarHBondContact O-CD2 3.34Å; D379-R434 PolarHBondContact O-NH2 3.37Å
380	E	93.1	Very high	88.3	Confident	62 Å²	62	49 Å²	49	29%	0.29	25%	0.252	S	S	.	.	S	Bend	trans	-109.7	123.5	173.6	-74.5	-58.7	142.8	0	0	112	S351 A378 K382 I383 D384 R434	S351-E380 WeakPolarHBondContact OG-CB 3.48Å; S351-E380 PolarHBondContact OG-N 2.82Å; A378-E380 PolarHBondContact O-N 3.3Å; E380-K382 VanDerWaalsContact C-N 3.27Å; E380-K382 PolarHBondContact O-N 3.07Å; E380-K382 VanDerWaalsContact O-N 3.15Å; E380-I383 HydrophobicContact CB-CB 4.21Å; E380-I383 HydrophobicContact CB-CG1 4.01Å; E380-I383 PolarHBondContact O-N 3.41Å; E380-D384 PolarHBondContact O-N 2.77Å; E380-R434 VanDerWaalsContact CD-NH2 3.28Å; E380-R434 IonicContact OE1-CZ 2.98Å; E380-R434 IonicContact OE1-NH1 3.75Å; E380-R434 PolarHBondContact OE1-NH1 3.17Å; E380-R434 IonicContact OE1-NH2 2.63Å; E380-R434 PolarHBondContact OE1-NH2 3.42Å; E380-R434 IonicContact OE2-CZ 2.62Å; E380-R434 IonicContact OE2-NH1 2.65Å; E380-R434 PolarHBondContact OE2-NH1 2.73Å; E380-R434 IonicContact OE2-NH2 2.65Å; E380-R434 PolarHBondContact OE2-NH2 2.94Å
381	P	90.1	Very high	88.4	Confident	22 Å²	22	44.6 Å²	44.6	14%	0.143	22%	0.223	C	C	.	.	H	α-helix	trans	-56.1	-36.8	-177.2	-26.9	33.1	0	0	0	114.5	I383 D384 A385 L395 T397	P381-I383 VanDerWaalsContact C-N 3.34Å; P381-D384 PolarHBondContact O-N 3.23Å; P381-A385 WeakPolarHBondContact O-CB 3.43Å; P381-A385 PolarHBondContact O-N 3.09Å; P381-L395 HydrophobicContact CG-CD2 4.03Å; P381-L395 HydrophobicContact CG-CG 4.2Å; P381-T397 HydrophobicContact CG-CG2 3.4Å
382	K	90.2	Very high	88.4	Confident	179 Å²	179	45.3 Å²	45.3	78%	0.778	22%	0.224	S	C	*	.	H	α-helix	trans	-64.2	-41.4	177.9	-176.6	-177.4	176.7	-173.9	0	111.5	E380 M386	E380-K382 VanDerWaalsContact C-N 3.27Å; E380-K382 PolarHBondContact O-N 3.07Å; E380-K382 VanDerWaalsContact O-N 3.15Å; K382-M386 PolarHBondContact O-N 2.97Å
383	I	92.4	Very high	88.7	Confident	20 Å²	20	39.3 Å²	39.3	10%	0.103	19%	0.192	C	C	.	.	H	α-helix	trans	-76.9	-37.6	179.9	-56.6	-62.4	0	0	0	110.1	I354 A378 E380 P381 A385 M386 V387	I354-I383 HydrophobicContact CB-CG2 4.18Å; I354-I383 HydrophobicContact CD1-CG2 3.98Å; A378-I383 HydrophobicContact CB-CB 4.36Å; A378-I383 HydrophobicContact CB-CG2 4.15Å; E380-I383 HydrophobicContact CB-CB 4.21Å; E380-I383 HydrophobicContact CB-CG1 4.01Å; E380-I383 PolarHBondContact O-N 3.41Å; P381-I383 VanDerWaalsContact C-N 3.34Å; I383-A385 VanDerWaalsContact C-N 3.35Å; I383-A385 PolarHBondContact O-N 3.4Å; I383-M386 HydrophobicContact CD1-CE 4.17Å; I383-M386 HydrophobicContact CG2-CE 4.21Å; I383-M386 WeakPolarHBondContact O-CB 3.38Å; I383-M386 PolarHBondContact O-N 3.18Å; I383-M386 VanDerWaalsContact O-N 3.07Å; I383-V387 HydrophobicContact CG2-CG2 3.82Å; I383-V387 WeakPolarHBondContact O-CG2 3.23Å; I383-V387 PolarHBondContact O-N 2.98Å
384	D	92.7	Very high	88.9	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-58.4	-47.8	173.5	-171.7	64.2	0	0	0	110.7	F377 A378 E380 P381 M386 V387 N388 C394 L395	F377-D384 WeakPolarHBondContact CA-OD1 3.38Å; F377-D384 VanDerWaalsContact CB-OD1 3.27Å; F377-D384 WeakPolarHBondContact CB-OD1 3.48Å; A378-D384 HydrophobicContact CB-CB 3.94Å; A378-D384 PolarHBondContact N-OD1 3.46Å; E380-D384 PolarHBondContact O-N 2.77Å; P381-D384 PolarHBondContact O-N 3.23Å; D384-M386 PolarHBondContact O-N 2.66Å; D384-V387 PolarHBondContact O-N 3.39Å; D384-N388 WeakPolarHBondContact O-CA 3.33Å; D384-N388 WeakPolarHBondContact O-CB 3.43Å; D384-N388 PolarHBondContact O-N 3.33Å; D384-N388 WeakPolarHBondContact OD1-CB 3.31Å; D384-N388 PolarHBondContact OD1-ND2 2.78Å; D384-C394 VanDerWaalsContact OD2-CA 3.31Å; D384-C394 WeakPolarHBondContact OD2-CA 3.32Å; D384-L395 HydrophobicContact CB-CB 4.18Å; D384-L395 PolarHBondContact OD2-N 3.02Å
385	A	88.9	Confident	88.9	Confident	39 Å²	39	36.1 Å²	36.1	32%	0.322	18%	0.178	S	C	.	.	H	α-helix	trans	-59.8	-29.5	175.7	0	0	0	0	0	113.5	P381 I383 M389	P381-A385 WeakPolarHBondContact O-CB 3.43Å; P381-A385 PolarHBondContact O-N 3.09Å; I383-A385 VanDerWaalsContact C-N 3.35Å; I383-A385 PolarHBondContact O-N 3.4Å; A385-M389 WeakPolarHBondContact O-CG 3.19Å
386	M	89.8	Confident	88.8	Confident	46 Å²	46	37.6 Å²	37.6	23%	0.227	19%	0.185	C	C	.	.	H	α-helix	trans	-78.9	-47.6	176.7	-179.7	-177.2	74	0	0	112	I354 E356 V359 R363 K382 I383 D384	I354-M386 HydrophobicContact CG2-CE 3.99Å; E356-M386 HydrophobicContact CG-SD 3.83Å; V359-M386 HydrophobicContact CG2-CE 3.71Å; V359-M386 HydrophobicContact CG2-CG 4.09Å; V359-M386 HydrophobicContact CG2-SD 4.16Å; R363-M386 PolarHBondContact NH2-O 3.36Å; K382-M386 PolarHBondContact O-N 2.97Å; I383-M386 HydrophobicContact CD1-CE 4.17Å; I383-M386 HydrophobicContact CG2-CE 4.21Å; I383-M386 WeakPolarHBondContact O-CB 3.38Å; I383-M386 PolarHBondContact O-N 3.18Å; I383-M386 VanDerWaalsContact O-N 3.07Å; D384-M386 PolarHBondContact O-N 2.66Å
387	V	89.6	Confident	88.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-84.5	-39.6	-172	-175.9	0	0	0	0	111.2	I348 I354 V359 I362 R363 W376 I383 D384 M389	I348-V387 HydrophobicContact CD1-CG1 4.35Å; I354-V387 HydrophobicContact CG2-CG2 4.26Å; V359-V387 HydrophobicContact CG2-CG2 4.21Å; I362-V387 HydrophobicContact CB-CG1 4.18Å; I362-V387 HydrophobicContact CG2-CG1 3.58Å; R363-V387 WeakPolarHBondContact CG-O 3.34Å; R363-V387 PolarHBondContact NE-O 3.05Å; R363-V387 PolarHBondContact NH2-O 3.13Å; W376-V387 HydrophobicContact CH2-CG1 3.86Å; W376-V387 HydrophobicContact CZ3-CB 4.4Å; W376-V387 HydrophobicContact CZ3-CG1 3.73Å; I383-V387 HydrophobicContact CG2-CG2 3.82Å; I383-V387 WeakPolarHBondContact O-CG2 3.23Å; I383-V387 PolarHBondContact O-N 2.98Å; D384-V387 PolarHBondContact O-N 3.39Å; V387-M389 PolarHBondContact O-N 3.26Å
388	N	83.6	Confident	88.6	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.043	19%	0.192	C	C	.	.	S	Bend	trans	-97	30.2	-168.1	-146.8	14.9	0	0	0	113.1	W376 D384 E390 Q391 V393	W376-N388 HydrophobicContact CH2-CB 4.01Å; W376-N388 WeakPolarHBondContact CH2-OD1 3.46Å; W376-N388 WeakPolarHBondContact CZ2-OD1 3.33Å; W376-N388 HydrophobicContact CZ3-CB 3.82Å; W376-N388 VanDerWaalsContact CZ3-OD1 3.28Å; W376-N388 WeakPolarHBondContact CZ3-OD1 3.29Å; W376-N388 PolarHBondContact O-ND2 3.12Å; D384-N388 WeakPolarHBondContact O-CA 3.33Å; D384-N388 WeakPolarHBondContact O-CB 3.43Å; D384-N388 PolarHBondContact O-N 3.33Å; D384-N388 WeakPolarHBondContact OD1-CB 3.31Å; D384-N388 PolarHBondContact OD1-ND2 2.78Å; N388-E390 PolarHBondContact O-N 3.06Å; N388-Q391 HydrophobicContact CB-CB 4.49Å; N388-Q391 HydrophobicContact CB-CG 4.45Å; N388-Q391 PolarHBondContact O-N 2.91Å; N388-Q391 WeakPolarHBondContact OD1-CB 3.15Å; N388-Q391 WeakPolarHBondContact OD1-CG 3.38Å; N388-V393 PolarHBondContact ND2-O 2.86Å; N388-V393 VanDerWaalsContact ND2-O 3.13Å
389	M	76	Confident	88.4	Confident	91 Å²	91	39.6 Å²	39.6	45%	0.448	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	128	179.8	-67.5	-162.7	-86	0	0	110.6	A385 V387 Q391	A385-M389 WeakPolarHBondContact O-CG 3.19Å; V387-M389 PolarHBondContact O-N 3.26Å; M389-Q391 VanDerWaalsContact C-N 3.32Å; M389-Q391 PolarHBondContact O-N 3.14Å
390	E	69.3	Low	88.2	Confident	143 Å²	143	38.2 Å²	38.2	67%	0.668	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	22.9	177.8	-46.4	-165.2	126.8	0	0	115.8	N388 K426	N388-E390 PolarHBondContact O-N 3.06Å; E390-K426 IonicContact OE1-NZ 3.33Å; E390-K426 PolarHBondContact OE1-NZ 3.33Å
391	Q	78.6	Confident	88	Confident	43 Å²	43	37.5 Å²	37.5	20%	0.201	19%	0.188	C	C	.	.			trans	-92.3	171.3	179.5	-62.8	-62.6	-35.2	0	0	112.7	N367 W376 N388 M389 V393 C427	N367-Q391 PolarHBondContact ND2-NE2 2.86Å; N367-Q391 PolarHBondContact OD1-NE2 3.45Å; N367-Q391 PolarHBondContact OD1-OE1 3.37Å; W376-Q391 HydrophobicContact CH2-CG 4.34Å; W376-Q391 HydrophobicContact CZ2-CG 3.84Å; N388-Q391 HydrophobicContact CB-CB 4.49Å; N388-Q391 HydrophobicContact CB-CG 4.45Å; N388-Q391 PolarHBondContact O-N 2.91Å; N388-Q391 WeakPolarHBondContact OD1-CB 3.15Å; N388-Q391 WeakPolarHBondContact OD1-CG 3.38Å; M389-Q391 VanDerWaalsContact C-N 3.32Å; M389-Q391 PolarHBondContact O-N 3.14Å; Q391-V393 VanDerWaalsContact C-N 3.27Å; Q391-V393 PolarHBondContact O-N 3.17Å; Q391-C427 VanDerWaalsContact O-CB 3.29Å; Q391-C427 WeakPolarHBondContact O-CB 3.2Å
392	K	86	Confident	87.8	Confident	53 Å²	53	39 Å²	39	23%	0.23	20%	0.203	C	C	.	.	S	Bend	trans	-59.6	-36.5	-174	-65.3	173.8	-170.9	170.3	0	112.8	W150 D371 D372 F374 I375 S428	W150-K392 HydrophobicContact CH2-CB 3.72Å; W150-K392 HydrophobicContact CH2-CG 4.2Å; W150-K392 HydrophobicContact CZ2-CB 3.66Å; W150-K392 HydrophobicContact CZ2-CD 3.82Å; W150-K392 HydrophobicContact CZ2-CG 3.83Å; W150-K392 HydrophobicContact CZ3-CB 4.17Å; W150-K392 VanDerWaalsContact CZ3-O 3.25Å; W150-K392 WeakPolarHBondContact CZ3-O 3.33Å; D371-K392 PolarHBondContact O-NZ 2.81Å; D372-K392 WeakPolarHBondContact O-CE 3.45Å; D372-K392 PolarHBondContact O-NZ 2.99Å; F374-K392 PolarHBondContact O-NZ 3.15Å; I375-K392 HydrophobicContact CG2-CB 4.21Å; I375-K392 HydrophobicContact CG2-CD 4.14Å; K392-S428 PolarHBondContact O-N 3.18Å
393	V	90.4	Very high	87.5	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	160.6	-176.5	-63.3	0	0	0	0	111.2	W150 I375 W376 F377 N388 Q391 S428 I430	W150-V393 HydrophobicContact CB-CG1 4.35Å; W150-V393 HydrophobicContact CD2-CG1 4.15Å; W150-V393 HydrophobicContact CE3-CG1 3.73Å; W150-V393 HydrophobicContact CG-CG1 4.46Å; W150-V393 HydrophobicContact CZ3-CG1 4.38Å; I375-V393 HydrophobicContact CB-CG1 4.32Å; I375-V393 HydrophobicContact CB-CG2 4.07Å; I375-V393 HydrophobicContact CD1-CG1 4.05Å; I375-V393 HydrophobicContact CD1-CG2 4.28Å; I375-V393 HydrophobicContact CG2-CG1 4.02Å; W376-V393 WeakPolarHBondContact O-CG2 3.47Å; F377-V393 HydrophobicContact CB-CG2 4.28Å; F377-V393 HydrophobicContact CD1-CG2 4.33Å; N388-V393 PolarHBondContact ND2-O 2.86Å; N388-V393 VanDerWaalsContact ND2-O 3.13Å; Q391-V393 VanDerWaalsContact C-N 3.27Å; Q391-V393 PolarHBondContact O-N 3.17Å; V393-S428 CarbonylContact C-O 3.31Å; V393-S428 WeakPolarHBondContact CA-O 3.49Å; V393-I430 HydrophobicContact CB-CD1 3.89Å; V393-I430 HydrophobicContact CB-CG1 4.24Å; V393-I430 HydrophobicContact CG1-CD1 4.25Å; V393-I430 HydrophobicContact CG2-CD1 4.03Å
394	C	90.3	Very high	87.1	Confident	7 Å²	7	43.4 Å²	43.4	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	134.8	174.5	46.6	0	0	0	0	110.4	D384 L424 C427 S428 P429 I430	D384-C394 VanDerWaalsContact OD2-CA 3.31Å; D384-C394 WeakPolarHBondContact OD2-CA 3.32Å; C394-L424 WeakPolarHBondContact SG-CD2 3.2Å; C394-C427 HydrophobicContact CB-CB 3.69Å; C394-C427 WeakPolarHBondContact CB-SG 3.32Å; C394-C427 WeakPolarHBondContact SG-CB 3.22Å; C394-C427 CovalentContact SG-SG 2.04Å; C394-C427 PolarHBondContact SG-SG 3.05Å; C394-S428 PolarHBondContact N-O 3.14Å; C394-P429 CarbonylContact O-C 3.51Å; C394-P429 VanDerWaalsContact O-CA 3.31Å; C394-P429 WeakPolarHBondContact O-CA 3.3Å; C394-I430 PolarHBondContact O-N 2.81Å
395	L	93.3	Very high	86.4	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.3	179.7	-171.7	68.9	0	0	0	110.2	F377 A378 D379 P381 D384 I430 L432 L458	F377-L395 HydrophobicContact CD2-CB 4.43Å; F377-L395 HydrophobicContact CD2-CD1 4.34Å; F377-L395 HydrophobicContact CE2-CD1 4.32Å; A378-L395 WeakPolarHBondContact O-CD2 3.44Å; D379-L395 WeakPolarHBondContact O-CD2 3.34Å; P381-L395 HydrophobicContact CG-CD2 4.03Å; P381-L395 HydrophobicContact CG-CG 4.2Å; D384-L395 HydrophobicContact CB-CB 4.18Å; D384-L395 PolarHBondContact OD2-N 3.02Å; L395-I430 HydrophobicContact CD1-CB 4.22Å; L395-I430 HydrophobicContact CD1-CG2 4.05Å; L395-L432 HydrophobicContact CD1-CB 4.16Å; L395-L458 HydrophobicContact CD1-CD2 4.37Å
396	Q	91.7	Very high	86.1	Confident	33 Å²	33	49.9 Å²	49.9	15%	0.154	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.1	173	-65.8	-60.4	-32	0	0	109.3	L424 P429 I430 W431 L432	Q396-L424 HydrophobicContact CG-CD2 4.28Å; Q396-P429 HydrophobicContact CG-CB 4.14Å; Q396-I430 PolarHBondContact N-O 3Å; Q396-I430 VanDerWaalsContact O-O 3.11Å; Q396-W431 HydrophobicContact CB-CD2 4.25Å; Q396-W431 HydrophobicContact CB-CE3 3.72Å; Q396-W431 HydrophobicContact CB-CH2 4.32Å; Q396-W431 HydrophobicContact CB-CZ3 3.77Å; Q396-W431 CarbonylContact O-C 3.48Å; Q396-W431 WeakPolarHBondContact O-CA 3.36Å; Q396-L432 PolarHBondContact O-N 2.94Å
397	T	92.6	Very high	85.8	Confident	31 Å²	31	49.7 Å²	49.7	19%	0.19	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136	178.7	48.7	0	0	0	0	111.6	P381 L432 R434	P381-T397 HydrophobicContact CG-CG2 3.4Å; T397-L432 CarbonylContact C-O 3.44Å; T397-L432 VanDerWaalsContact CA-O 3.22Å; T397-L432 WeakPolarHBondContact CA-O 3.38Å; T397-L432 HydrophobicContact CG2-CB 4.08Å; T397-L432 HydrophobicContact CG2-CD2 4.12Å; T397-L432 HydrophobicContact CG2-CG 4.34Å; T397-R434 HydrophobicContact CG2-CG 4.26Å
398	L	92	Very high	85.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	109.4	158.9	-62.2	-178.3	0	0	0	107.5	I415 W431 L432 V433 R434 I446 L449 A450 L453	L398-I415 HydrophobicContact CD2-CD1 4.35Å; L398-I415 HydrophobicContact CD2-CG1 3.72Å; L398-W431 HydrophobicContact CD1-CE3 4.46Å; L398-W431 HydrophobicContact CD2-CE3 4.08Å; L398-W431 HydrophobicContact CD2-CZ3 3.86Å; L398-W431 HydrophobicContact CG-CE3 3.93Å; L398-W431 HydrophobicContact CG-CZ3 4.24Å; L398-L432 PolarHBondContact N-O 3.16Å; L398-V433 WeakPolarHBondContact O-CA 3.47Å; L398-R434 PolarHBondContact O-N 3.07Å; L398-I446 HydrophobicContact CB-CG2 4.01Å; L398-I446 HydrophobicContact CD1-CG2 4.07Å; L398-L449 HydrophobicContact CD1-CD2 4.45Å; L398-L449 HydrophobicContact CD1-CG 4.34Å; L398-A450 HydrophobicContact CD1-CB 4.11Å; L398-L453 HydrophobicContact CD1-CD1 3.89Å
399	T	91.2	Very high	85.4	Confident	19 Å²	19	52.9 Å²	52.9	12%	0.117	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.6	-176	-55.7	0	0	0	0	109.4	N401 Q414 R434 L436	T399-N401 VanDerWaalsContact C-N 3.32Å; T399-N401 VanDerWaalsContact CG2-OD1 3.29Å; T399-N401 WeakPolarHBondContact CG2-OD1 3.24Å; T399-N401 PolarHBondContact O-N 3.04Å; T399-Q414 PolarHBondContact O-NE2 2.86Å; T399-Q414 PolarHBondContact O-OE1 2.99Å; T399-R434 CarbonylContact C-O 3.55Å; T399-R434 WeakPolarHBondContact CA-O 3.38Å; T399-R434 HydrophobicContact CG2-CB 4.32Å; T399-L436 HydrophobicContact CG2-CB 4.42Å; T399-L436 HydrophobicContact CG2-CD1 3.45Å; T399-L436 VanDerWaalsContact CG2-CD1 3.45Å; T399-L436 HydrophobicContact CG2-CG 3.67Å
400	L	90.1	Very high	85.9	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	88.4	168.1	-71.4	84	0	0	0	107.8	R407 V433 R434 Q435 L436 S437 D442 F443 I446	L400-R407 VanDerWaalsContact CD2-NH1 3.29Å; L400-V433 HydrophobicContact CD1-CG1 3.54Å; L400-R434 PolarHBondContact N-O 3.36Å; L400-Q435 VanDerWaalsContact CB-OE1 3.27Å; L400-L436 CarbonylContact O-C 3.59Å; L400-L436 WeakPolarHBondContact O-CA 3.44Å; L400-L436 WeakPolarHBondContact O-CB 3.36Å; L400-L436 PolarHBondContact O-N 2.75Å; L400-S437 PolarHBondContact O-N 2.78Å; L400-D442 HydrophobicContact CD2-CB 4.22Å; L400-F443 HydrophobicContact CD1-CD2 4.03Å; L400-F443 HydrophobicContact CD2-CB 4.5Å; L400-F443 HydrophobicContact CD2-CD2 4.45Å; L400-I446 HydrophobicContact CD1-CB 4.03Å; L400-I446 HydrophobicContact CD1-CG1 4.05Å; L400-I446 HydrophobicContact CD1-CG2 3.9Å; L400-I446 HydrophobicContact CD2-CG1 4.02Å; L400-I446 HydrophobicContact CG-CG1 4.18Å
401	N	88.9	Confident	86.7	Confident	47 Å²	47	43.5 Å²	43.5	25%	0.251	23%	0.227	S	C	.	.			trans	-66.4	146.2	-179.1	-69.4	-44.4	0	0	0	111.4	T399 V404 D410 Q414	T399-N401 VanDerWaalsContact C-N 3.32Å; T399-N401 VanDerWaalsContact CG2-OD1 3.29Å; T399-N401 WeakPolarHBondContact CG2-OD1 3.24Å; T399-N401 PolarHBondContact O-N 3.04Å; N401-V404 HydrophobicContact CB-CG1 3.55Å; N401-D410 PolarHBondContact ND2-OD1 3.43Å; N401-D410 VanDerWaalsContact ND2-OD1 3.09Å; N401-D410 PolarHBondContact ND2-OD2 3.19Å; N401-Q414 PolarHBondContact ND2-NE2 3.46Å
402	A	86.8	Confident	87	Confident	54 Å²	54	43.9 Å²	43.9	45%	0.446	23%	0.229	S	C	.	.	S	Bend	trans	-74.9	145.1	169.7	0	0	0	0	0	110.3	V404	A402-V404 PolarHBondContact O-N 3.09Å
403	R	84.1	Confident	87	Confident	252 Å²	252	44.2 Å²	44.2	95%	0.951	24%	0.238	S	C	*	.	S	Bend	trans	57.1	47.2	171.1	-53.3	177.8	-175	169.4	1.8	114.3
404	V	83.3	Confident	87	Confident	40 Å²	40	45.6 Å²	45.6	24%	0.242	24%	0.244	C	C	.	.			trans	-89.7	143.5	172.6	-68.1	0	0	0	0	111.4	N401 A402 D410	N401-V404 HydrophobicContact CB-CG1 3.55Å; A402-V404 PolarHBondContact O-N 3.09Å; V404-D410 HydrophobicContact CB-CB 4.21Å; V404-D410 HydrophobicContact CG1-CB 4.01Å; V404-D410 HydrophobicContact CG2-CB 4.47Å
405	P	77	Confident	86.7	Confident	130 Å²	130	45.3 Å²	45.3	84%	0.844	24%	0.242	S	C	*	.	S	Bend	trans	-63.6	-43.4	-179.5	24.4	-32.8	0	0	0	111.7
406	T	83.7	Confident	86.2	Confident	48 Å²	48	47.2 Å²	47.2	29%	0.294	25%	0.251	S	S	.	.			trans	-143.8	120.8	178.2	44.5	0	0	0	0	108.5	S408 D409 D410	T406-S408 VanDerWaalsContact C-N 3.26Å; T406-S408 PolarHBondContact O-N 3.45Å; T406-D409 WeakPolarHBondContact CB-OD2 3.35Å; T406-D409 PolarHBondContact O-N 2.73Å; T406-D409 VanDerWaalsContact OG1-CB 3.25Å; T406-D409 WeakPolarHBondContact OG1-CB 3.41Å; T406-D409 VanDerWaalsContact OG1-CG 3.25Å; T406-D409 PolarHBondContact OG1-OD2 3.05Å; T406-D410 PolarHBondContact O-N 3.43Å; T406-D410 VanDerWaalsContact O-N 3.14Å
407	R	82.5	Confident	85.8	Confident	42 Å²	42	52 Å²	52	16%	0.158	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-37.1	-178.1	-179.1	61.6	62	83.4	-16	112	L400 L411 D442	L400-R407 VanDerWaalsContact CD2-NH1 3.29Å; R407-L411 HydrophobicContact CG-CD1 3.88Å; R407-L411 WeakPolarHBondContact O-CB 3.29Å; R407-L411 WeakPolarHBondContact O-CD1 3.48Å; R407-L411 VanDerWaalsContact O-CG 3.32Å; R407-L411 WeakPolarHBondContact O-CG 3.35Å; R407-L411 PolarHBondContact O-N 3.33Å; R407-D442 IonicContact CZ-OD2 3.46Å; R407-D442 IonicContact NH1-OD2 2.64Å; R407-D442 PolarHBondContact NH1-OD2 3.23Å
408	S	81.3	Confident	85.3	Confident	19 Å²	19	50.7 Å²	50.7	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-40.8	178.6	53.3	0	0	0	0	112.8	T406 H412	T406-S408 VanDerWaalsContact C-N 3.26Å; T406-S408 PolarHBondContact O-N 3.45Å; S408-H412 WeakPolarHBondContact O-CB 3.49Å; S408-H412 PolarHBondContact O-N 3.19Å
409	D	84.3	Confident	84.5	Confident	56 Å²	56	53.3 Å²	53.3	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-74.4	-35.5	179.3	-62.9	-38.5	0	0	0	111.9	T406 H412 S413 K530	T406-D409 WeakPolarHBondContact CB-OD2 3.35Å; T406-D409 PolarHBondContact O-N 2.73Å; T406-D409 VanDerWaalsContact OG1-CB 3.25Å; T406-D409 WeakPolarHBondContact OG1-CB 3.41Å; T406-D409 VanDerWaalsContact OG1-CG 3.25Å; T406-D409 PolarHBondContact OG1-OD2 3.05Å; D409-H412 PolarHBondContact O-N 2.73Å; D409-S413 VanDerWaalsContact O-CB 3.31Å; D409-S413 WeakPolarHBondContact O-CB 3.36Å; D409-S413 PolarHBondContact O-N 3.18Å; D409-S413 PolarHBondContact O-OG 2.64Å; D409-K530 IonicContact OD1-NZ 3.58Å; D409-K530 PolarHBondContact OD1-NZ 3.29Å; D409-K530 IonicContact OD2-NZ 3.96Å
410	D	87.3	Confident	83.8	Confident	31 Å²	31	58 Å²	58	17%	0.166	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-52.2	172.9	179.5	48.8	0	0	0	110.8	N401 V404 T406 H412 S413 Q414	N401-D410 PolarHBondContact ND2-OD1 3.43Å; N401-D410 VanDerWaalsContact ND2-OD1 3.09Å; N401-D410 PolarHBondContact ND2-OD2 3.19Å; V404-D410 HydrophobicContact CB-CB 4.21Å; V404-D410 HydrophobicContact CG1-CB 4.01Å; V404-D410 HydrophobicContact CG2-CB 4.47Å; T406-D410 PolarHBondContact O-N 3.43Å; T406-D410 VanDerWaalsContact O-N 3.14Å; D410-H412 PolarHBondContact O-N 2.91Å; D410-S413 WeakPolarHBondContact O-CB 3.37Å; D410-S413 PolarHBondContact O-N 3.29Å; D410-Q414 VanDerWaalsContact CG-NE2 3.3Å; D410-Q414 WeakPolarHBondContact O-CG 3.17Å; D410-Q414 PolarHBondContact O-N 2.96Å; D410-Q414 PolarHBondContact OD1-NE2 2.93Å; D410-Q414 PolarHBondContact OD2-NE2 2.98Å
411	L	86.1	Confident	83	Confident	6 Å²	6	60.3 Å²	60.3	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-39.6	177.7	-70.3	166.1	0	0	0	112.6	R407 S413 Q414 I415 I446	R407-L411 HydrophobicContact CG-CD1 3.88Å; R407-L411 WeakPolarHBondContact O-CB 3.29Å; R407-L411 WeakPolarHBondContact O-CD1 3.48Å; R407-L411 VanDerWaalsContact O-CG 3.32Å; R407-L411 WeakPolarHBondContact O-CG 3.35Å; R407-L411 PolarHBondContact O-N 3.33Å; L411-S413 VanDerWaalsContact C-N 3.3Å; L411-S413 PolarHBondContact O-N 3.05Å; L411-Q414 PolarHBondContact O-N 2.85Å; L411-I415 WeakPolarHBondContact O-CB 3.21Å; L411-I415 VanDerWaalsContact O-CG1 3.3Å; L411-I415 WeakPolarHBondContact O-CG1 3.33Å; L411-I415 PolarHBondContact O-N 3.26Å; L411-I446 HydrophobicContact CD1-CD1 3.25Å; L411-I446 HydrophobicContact CD1-CG1 4.08Å; L411-I446 HydrophobicContact CD2-CD1 4.32Å; L411-I446 HydrophobicContact CD2-CG2 4.35Å; L411-I446 HydrophobicContact CG-CD1 4.42Å
412	H	83.7	Confident	81.9	Confident	50 Å²	50	62.6 Å²	62.6	23%	0.231	34%	0.335	C	S	.	.	H	α-helix	trans	-58.1	-46.6	173.6	-175.5	77.8	0	0	0	110.8	S408 D409 D410 I415 Q416 F538	S408-H412 WeakPolarHBondContact O-CB 3.49Å; S408-H412 PolarHBondContact O-N 3.19Å; D409-H412 PolarHBondContact O-N 2.73Å; D410-H412 PolarHBondContact O-N 2.91Å; H412-I415 PolarHBondContact O-N 2.77Å; H412-Q416 PolarHBondContact CE1-NE2 3.5Å; H412-Q416 WeakPolarHBondContact NE2-CG 3.43Å; H412-Q416 WeakPolarHBondContact O-CB 3.11Å; H412-Q416 VanDerWaalsContact O-CG 3.24Å; H412-Q416 WeakPolarHBondContact O-CG 3.5Å; H412-Q416 PolarHBondContact O-N 3.03Å; H412-F538 HydrophobicContact CB-CE2 3.93Å
413	S	86.9	Confident	80.9	Confident	60 Å²	60	62.7 Å²	62.7	42%	0.42	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-44.3	179.1	-59.3	0	0	0	0	111.2	D409 D410 L411 Q416 L417	D409-S413 VanDerWaalsContact O-CB 3.31Å; D409-S413 WeakPolarHBondContact O-CB 3.36Å; D409-S413 PolarHBondContact O-N 3.18Å; D409-S413 PolarHBondContact O-OG 2.64Å; D410-S413 WeakPolarHBondContact O-CB 3.37Å; D410-S413 PolarHBondContact O-N 3.29Å; L411-S413 VanDerWaalsContact C-N 3.3Å; L411-S413 PolarHBondContact O-N 3.05Å; S413-Q416 PolarHBondContact O-N 3.3Å; S413-L417 WeakPolarHBondContact O-CB 3.21Å; S413-L417 WeakPolarHBondContact O-CG 3.49Å; S413-L417 PolarHBondContact O-N 3.31Å
414	Q	89.1	Confident	79.9	Confident	30 Å²	30	51.2 Å²	51.2	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-46.1	175.5	-69.1	178.6	48.8	0	0	112.1	T399 N401 D410 L411 L417 A418	T399-Q414 PolarHBondContact O-NE2 2.86Å; T399-Q414 PolarHBondContact O-OE1 2.99Å; N401-Q414 PolarHBondContact ND2-NE2 3.46Å; D410-Q414 VanDerWaalsContact CG-NE2 3.3Å; D410-Q414 WeakPolarHBondContact O-CG 3.17Å; D410-Q414 PolarHBondContact O-N 2.96Å; D410-Q414 PolarHBondContact OD1-NE2 2.93Å; D410-Q414 PolarHBondContact OD2-NE2 2.98Å; L411-Q414 PolarHBondContact O-N 2.85Å; Q414-L417 PolarHBondContact O-N 2.72Å; Q414-A418 PolarHBondContact O-N 3.23Å
415	I	84	Confident	79.1	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-42	178.8	-68.4	165.1	0	0	0	110.8	L398 L411 H412 A418 M419 L449 L453 L528 F538	L398-I415 HydrophobicContact CD2-CD1 4.35Å; L398-I415 HydrophobicContact CD2-CG1 3.72Å; L411-I415 WeakPolarHBondContact O-CB 3.21Å; L411-I415 VanDerWaalsContact O-CG1 3.3Å; L411-I415 WeakPolarHBondContact O-CG1 3.33Å; L411-I415 PolarHBondContact O-N 3.26Å; H412-I415 PolarHBondContact O-N 2.77Å; I415-A418 PolarHBondContact O-N 2.9Å; I415-M419 HydrophobicContact CG2-CE 4.33Å; I415-M419 HydrophobicContact CG2-CG 3.99Å; I415-M419 WeakPolarHBondContact O-CB 3.22Å; I415-M419 WeakPolarHBondContact O-CG 3.06Å; I415-M419 PolarHBondContact O-N 3.38Å; I415-L449 HydrophobicContact CD1-CD2 3.93Å; I415-L453 HydrophobicContact CD1-CD1 4.43Å; I415-L453 HydrophobicContact CG1-CD1 4.42Å; I415-L528 HydrophobicContact CG2-CD1 4.27Å; I415-F538 HydrophobicContact CD1-CE1 3.95Å; I415-F538 HydrophobicContact CD1-CZ 3.63Å
416	Q	82.9	Confident	79	Confident	42 Å²	42	59 Å²	59	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-42.5	176.4	-74	-66.5	-14.3	0	0	111.7	H412 S413 A418 M419 N420	H412-Q416 PolarHBondContact CE1-NE2 3.5Å; H412-Q416 WeakPolarHBondContact NE2-CG 3.43Å; H412-Q416 WeakPolarHBondContact O-CB 3.11Å; H412-Q416 VanDerWaalsContact O-CG 3.24Å; H412-Q416 WeakPolarHBondContact O-CG 3.5Å; H412-Q416 PolarHBondContact O-N 3.03Å; S413-Q416 PolarHBondContact O-N 3.3Å; Q416-A418 VanDerWaalsContact C-N 3.32Å; Q416-A418 PolarHBondContact O-N 3.17Å; Q416-M419 PolarHBondContact O-N 3.02Å; Q416-N420 WeakPolarHBondContact O-CB 3.37Å; Q416-N420 PolarHBondContact O-N 3.13Å; Q416-N420 PolarHBondContact O-ND2 3.47Å
417	L	85	Confident	79	Confident	132 Å²	132	57.3 Å²	57.3	69%	0.691	29%	0.286	S	S	*	.	H	α-helix	trans	-59.9	-44.3	175.1	-75.4	169.3	0	0	0	111.3	S413 Q414 N421	S413-L417 WeakPolarHBondContact O-CB 3.21Å; S413-L417 WeakPolarHBondContact O-CG 3.49Å; S413-L417 PolarHBondContact O-N 3.31Å; Q414-L417 PolarHBondContact O-N 2.72Å; L417-N421 PolarHBondContact O-N 2.85Å
418	A	81.5	Confident	79.2	Confident	5 Å²	5	56.2 Å²	56.2	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-54.2	174.3	0	0	0	0	0	111	Q414 I415 Q416 N420 N421 L424 W431	Q414-A418 PolarHBondContact O-N 3.23Å; I415-A418 PolarHBondContact O-N 2.9Å; Q416-A418 VanDerWaalsContact C-N 3.32Å; Q416-A418 PolarHBondContact O-N 3.17Å; A418-N420 VanDerWaalsContact C-N 3.32Å; A418-N420 PolarHBondContact O-N 3.27Å; A418-N421 WeakPolarHBondContact O-CB 3.42Å; A418-N421 PolarHBondContact O-N 3.16Å; A418-L424 HydrophobicContact CB-CD1 4.26Å; A418-L424 WeakPolarHBondContact O-CD1 3.46Å; A418-L424 VanDerWaalsContact O-CG 3.29Å; A418-L424 WeakPolarHBondContact O-CG 3.46Å; A418-W431 HydrophobicContact CB-CH2 3.67Å; A418-W431 HydrophobicContact CB-CZ3 4.08Å
419	M	75.5	Confident	79.5	Confident	54 Å²	54	55.9 Å²	55.9	27%	0.266	28%	0.282	S	S	.	.	H	α-helix	trans	-63.3	-32.8	-176.6	-67.5	-64.9	176.8	0	0	113.8	I415 Q416 N421 L424 W431 L453 P454 L528	I415-M419 HydrophobicContact CG2-CE 4.33Å; I415-M419 HydrophobicContact CG2-CG 3.99Å; I415-M419 WeakPolarHBondContact O-CB 3.22Å; I415-M419 WeakPolarHBondContact O-CG 3.06Å; I415-M419 PolarHBondContact O-N 3.38Å; Q416-M419 PolarHBondContact O-N 3.02Å; M419-N421 VanDerWaalsContact C-N 3.33Å; M419-L424 HydrophobicContact SD-CD1 4.33Å; M419-W431 HydrophobicContact CE-CH2 4.43Å; M419-W431 HydrophobicContact CE-CZ2 4.03Å; M419-L453 HydrophobicContact CE-CD2 4.1Å; M419-P454 HydrophobicContact CE-CG 4.09Å; M419-L528 HydrophobicContact CG-CD1 4.34Å
420	N	75	Confident	80	Confident	118 Å²	118	53.3 Å²	53.3	63%	0.631	27%	0.268	S	S	*	.	H	α-helix	trans	-80.5	-15.3	176.1	-70.8	-28.3	0	0	0	112.8	Q416 A418 T422	Q416-N420 WeakPolarHBondContact O-CB 3.37Å; Q416-N420 PolarHBondContact O-N 3.13Å; Q416-N420 PolarHBondContact O-ND2 3.47Å; A418-N420 VanDerWaalsContact C-N 3.32Å; A418-N420 PolarHBondContact O-N 3.27Å; N420-T422 PolarHBondContact O-N 2.8Å
421	N	73.4	Confident	80.3	Confident	48 Å²	48	51.9 Å²	51.9	26%	0.257	26%	0.26	S	S	.	.			trans	-62.8	114.6	174.1	-173.6	-10.3	0	0	0	109.1	L417 A418 M419 Q423 L424	L417-N421 PolarHBondContact O-N 2.85Å; A418-N421 WeakPolarHBondContact O-CB 3.42Å; A418-N421 PolarHBondContact O-N 3.16Å; M419-N421 VanDerWaalsContact C-N 3.33Å; N421-Q423 PolarHBondContact ND2-OE1 3.27Å; N421-Q423 VanDerWaalsContact ND2-OE1 3.11Å; N421-Q423 PolarHBondContact O-N 3.48Å; N421-Q423 VanDerWaalsContact OD1-CB 3.28Å; N421-Q423 WeakPolarHBondContact OD1-CB 3.47Å; N421-Q423 WeakPolarHBondContact OD1-CG 3.41Å; N421-Q423 PolarHBondContact OD1-N 2.92Å; N421-L424 WeakPolarHBondContact O-CB 3.4Å; N421-L424 PolarHBondContact O-N 2.91Å
422	T	66.8	Low	80.7	Confident	95 Å²	95	52 Å²	52	58%	0.583	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-56.1	-23.2	179.2	60.8	0	0	0	0	112.9	N420 L424 R425	N420-T422 PolarHBondContact O-N 2.8Å; T422-L424 VanDerWaalsContact C-N 3.31Å; T422-L424 PolarHBondContact O-N 3.34Å; T422-R425 VanDerWaalsContact O-CB 3.28Å; T422-R425 WeakPolarHBondContact O-CB 3.24Å; T422-R425 PolarHBondContact O-N 3.02Å; T422-R425 VanDerWaalsContact O-N 3.13Å
423	Q	65.6	Low	81.2	Confident	57 Å²	57	49.7 Å²	49.7	27%	0.266	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-61.7	-34.6	173.7	-66	177.5	-25.1	0	0	112.7	N421 R425 K426 C427	N421-Q423 PolarHBondContact ND2-OE1 3.27Å; N421-Q423 VanDerWaalsContact ND2-OE1 3.11Å; N421-Q423 PolarHBondContact O-N 3.48Å; N421-Q423 VanDerWaalsContact OD1-CB 3.28Å; N421-Q423 WeakPolarHBondContact OD1-CB 3.47Å; N421-Q423 WeakPolarHBondContact OD1-CG 3.41Å; N421-Q423 PolarHBondContact OD1-N 2.92Å; Q423-R425 PolarHBondContact O-N 3.29Å; Q423-K426 WeakPolarHBondContact O-CA 3.26Å; Q423-K426 PolarHBondContact O-N 3.1Å; Q423-C427 PolarHBondContact O-N 2.65Å; Q423-C427 PolarHBondContact O-SG 3.12Å
424	L	63.2	Low	81.3	Confident	11 Å²	11	50 Å²	50	6%	0.058	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-64.4	-12.9	176.1	-70.8	-162.5	0	0	0	113.3	C394 Q396 A418 M419 N421 T422 P429 I523	C394-L424 WeakPolarHBondContact SG-CD2 3.2Å; Q396-L424 HydrophobicContact CG-CD2 4.28Å; A418-L424 HydrophobicContact CB-CD1 4.26Å; A418-L424 WeakPolarHBondContact O-CD1 3.46Å; A418-L424 VanDerWaalsContact O-CG 3.29Å; A418-L424 WeakPolarHBondContact O-CG 3.46Å; M419-L424 HydrophobicContact SD-CD1 4.33Å; N421-L424 WeakPolarHBondContact O-CB 3.4Å; N421-L424 PolarHBondContact O-N 2.91Å; T422-L424 VanDerWaalsContact C-N 3.31Å; T422-L424 PolarHBondContact O-N 3.34Å; L424-P429 HydrophobicContact CD2-CB 3.91Å; L424-P429 HydrophobicContact CD2-CG 4.31Å; L424-I523 VanDerWaalsContact O-CD1 3.31Å; L424-I523 WeakPolarHBondContact O-CD1 3.45Å
425	R	66.8	Low	81.3	Confident	193 Å²	193	50.4 Å²	50.4	73%	0.728	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-73.8	-19.1	169.9	-58.8	-178	179.4	-179.5	0.6	112.5	T422 Q423	T422-R425 VanDerWaalsContact O-CB 3.28Å; T422-R425 WeakPolarHBondContact O-CB 3.24Å; T422-R425 PolarHBondContact O-N 3.02Å; T422-R425 VanDerWaalsContact O-N 3.13Å; Q423-R425 PolarHBondContact O-N 3.29Å
426	K	73.4	Confident	81.5	Confident	139 Å²	139	55.8 Å²	55.8	60%	0.604	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-33.8	-175.2	-65.9	-177	174	-179.9	0	113.1	E390 Q423	E390-K426 IonicContact OE1-NZ 3.33Å; E390-K426 PolarHBondContact OE1-NZ 3.33Å; Q423-K426 WeakPolarHBondContact O-CA 3.26Å; Q423-K426 PolarHBondContact O-N 3.1Å
427	C	84.5	Confident	81.6	Confident	13 Å²	13	54.8 Å²	54.8	9%	0.088	27%	0.27	C	S	.	.	S	Bend	trans	-108.7	149	-178.8	63.2	0	0	0	0	112.3	Q391 C394 Q423	Q391-C427 VanDerWaalsContact O-CB 3.29Å; Q391-C427 WeakPolarHBondContact O-CB 3.2Å; C394-C427 HydrophobicContact CB-CB 3.69Å; C394-C427 WeakPolarHBondContact CB-SG 3.32Å; C394-C427 WeakPolarHBondContact SG-CB 3.22Å; C394-C427 CovalentContact SG-SG 2.04Å; C394-C427 PolarHBondContact SG-SG 3.05Å; Q423-C427 PolarHBondContact O-N 2.65Å; Q423-C427 PolarHBondContact O-SG 3.12Å
428	S	86.3	Confident	81.4	Confident	19 Å²	19	58 Å²	58	13%	0.133	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	122.2	169	-177.8	0	0	0	0	109.9	K392 V393 C394	K392-S428 PolarHBondContact O-N 3.18Å; V393-S428 CarbonylContact C-O 3.31Å; V393-S428 WeakPolarHBondContact CA-O 3.49Å; C394-S428 PolarHBondContact N-O 3.14Å
429	P	89.2	Confident	81.4	Confident	13 Å²	13	60.9 Å²	60.9	8%	0.084	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	142.2	-178.7	26.5	-33.1	0	0	0	111.8	C394 Q396 L424 W431 P454 G455 S456	C394-P429 CarbonylContact O-C 3.51Å; C394-P429 VanDerWaalsContact O-CA 3.31Å; C394-P429 WeakPolarHBondContact O-CA 3.3Å; Q396-P429 HydrophobicContact CG-CB 4.14Å; L424-P429 HydrophobicContact CD2-CB 3.91Å; L424-P429 HydrophobicContact CD2-CG 4.31Å; P429-W431 HydrophobicContact CB-CZ2 4.23Å; P429-W431 HydrophobicContact CG-CZ2 4.36Å; P429-P454 WeakPolarHBondContact CG-O 3.17Å; P429-G455 WeakPolarHBondContact O-CA 3.33Å; P429-S456 PolarHBondContact O-N 3.03Å
430	I	92.8	Very high	81.7	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114	163.3	-59.9	174.2	0	0	0	106	I155 I375 F377 V393 C394 L395 Q396 S456 L458	I155-I430 HydrophobicContact CD1-CD1 4.21Å; I155-I430 HydrophobicContact CD1-CG2 4.25Å; I375-I430 HydrophobicContact CD1-CD1 4.47Å; F377-I430 HydrophobicContact CD1-CD1 3.5Å; F377-I430 HydrophobicContact CE1-CD1 3.55Å; F377-I430 HydrophobicContact CG-CD1 4.11Å; F377-I430 HydrophobicContact CZ-CD1 4.2Å; V393-I430 HydrophobicContact CB-CD1 3.89Å; V393-I430 HydrophobicContact CB-CG1 4.24Å; V393-I430 HydrophobicContact CG1-CD1 4.25Å; V393-I430 HydrophobicContact CG2-CD1 4.03Å; C394-I430 PolarHBondContact O-N 2.81Å; L395-I430 HydrophobicContact CD1-CB 4.22Å; L395-I430 HydrophobicContact CD1-CG2 4.05Å; Q396-I430 PolarHBondContact N-O 3Å; Q396-I430 VanDerWaalsContact O-O 3.11Å; I430-S456 CarbonylContact C-O 3.42Å; I430-S456 WeakPolarHBondContact CA-O 3.1Å; I430-L458 HydrophobicContact CG2-CB 3.7Å
431	W	93.8	Very high	82	Confident	1 Å²	1	63.6 Å²	63.6	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130	179.2	-61.4	95.7	0	0	0	110.3	Q396 L398 A418 M419 P429 A450 L453 P454 S456 Y457 L458	Q396-W431 HydrophobicContact CB-CD2 4.25Å; Q396-W431 HydrophobicContact CB-CE3 3.72Å; Q396-W431 HydrophobicContact CB-CH2 4.32Å; Q396-W431 HydrophobicContact CB-CZ3 3.77Å; Q396-W431 CarbonylContact O-C 3.48Å; Q396-W431 WeakPolarHBondContact O-CA 3.36Å; L398-W431 HydrophobicContact CD1-CE3 4.46Å; L398-W431 HydrophobicContact CD2-CE3 4.08Å; L398-W431 HydrophobicContact CD2-CZ3 3.86Å; L398-W431 HydrophobicContact CG-CE3 3.93Å; L398-W431 HydrophobicContact CG-CZ3 4.24Å; A418-W431 HydrophobicContact CB-CH2 3.67Å; A418-W431 HydrophobicContact CB-CZ3 4.08Å; M419-W431 HydrophobicContact CE-CH2 4.43Å; M419-W431 HydrophobicContact CE-CZ2 4.03Å; P429-W431 HydrophobicContact CB-CZ2 4.23Å; P429-W431 HydrophobicContact CG-CZ2 4.36Å; W431-A450 HydrophobicContact CB-CB 4.04Å; W431-L453 HydrophobicContact CD2-CB 4.29Å; W431-L453 HydrophobicContact CD2-CD1 3.77Å; W431-L453 HydrophobicContact CE3-CD1 3.94Å; W431-L453 HydrophobicContact CG-CB 4.35Å; W431-L453 HydrophobicContact CG-CD1 4.4Å; W431-L453 HydrophobicContact CH2-CD1 3.98Å; W431-L453 HydrophobicContact CZ2-CB 4.24Å; W431-L453 HydrophobicContact CZ2-CD1 3.84Å; W431-L453 HydrophobicContact CZ3-CD1 4.03Å; W431-P454 PolarHBondContact NE1-O 2.8Å; W431-S456 PolarHBondContact N-O 2.84Å; W431-Y457 HydrophobicContact CB-CD2 4.49Å; W431-Y457 VanDerWaalsContact O-CD2 3.25Å; W431-Y457 WeakPolarHBondContact O-CD2 3.48Å; W431-L458 PolarHBondContact O-N 3.49Å
432	L	94.7	Very high	82.4	Confident	10 Å²	10	63.7 Å²	63.7	5%	0.052	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.4	170.4	173.9	65.2	0	0	0	108.4	L395 Q396 T397 L398 R434 L458 L460	L395-L432 HydrophobicContact CD1-CB 4.16Å; Q396-L432 PolarHBondContact O-N 2.94Å; T397-L432 CarbonylContact C-O 3.44Å; T397-L432 VanDerWaalsContact CA-O 3.22Å; T397-L432 WeakPolarHBondContact CA-O 3.38Å; T397-L432 HydrophobicContact CG2-CB 4.08Å; T397-L432 HydrophobicContact CG2-CD2 4.12Å; T397-L432 HydrophobicContact CG2-CG 4.34Å; L398-L432 PolarHBondContact N-O 3.16Å; L432-R434 HydrophobicContact CD2-CG 4.17Å; L432-R434 HydrophobicContact CG-CG 4.2Å; L432-L458 HydrophobicContact CD1-CD2 4.21Å; L432-L458 HydrophobicContact CD1-CG 4.2Å; L432-L460 HydrophobicContact CD1-CD1 4.46Å; L432-L460 HydrophobicContact CD1-CD2 4.21Å; L432-L460 HydrophobicContact CD1-CG 4.13Å
433	V	93.7	Very high	83.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.5	174	-172.5	0	0	0	0	108.9	L398 L400 F443 I446 Q447 A450 Y457 Q463	L398-V433 WeakPolarHBondContact O-CA 3.47Å; L400-V433 HydrophobicContact CD1-CG1 3.54Å; V433-F443 HydrophobicContact CB-CE2 4.2Å; V433-F443 HydrophobicContact CG1-CD2 3.95Å; V433-F443 HydrophobicContact CG1-CE2 3.5Å; V433-F443 HydrophobicContact CG1-CZ 4.37Å; V433-I446 HydrophobicContact CG1-CB 4.26Å; V433-I446 HydrophobicContact CG1-CG2 3.7Å; V433-I446 HydrophobicContact CG2-CG2 4.13Å; V433-Q447 HydrophobicContact CG2-CG 4.49Å; V433-A450 HydrophobicContact CG2-CB 3.49Å; V433-A450 VanDerWaalsContact CG2-CB 3.49Å; V433-Y457 HydrophobicContact CG2-CE2 3.91Å; V433-Q463 PolarHBondContact O-NE2 2.91Å
434	R	90.9	Very high	84.5	Confident	68 Å²	68	58.3 Å²	58.3	26%	0.257	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.4	177	-70.3	-174.4	172.7	-176.3	-6.9	109.8	D379 E380 T397 L398 T399 L400 L432	D379-R434 PolarHBondContact O-NH2 3.37Å; E380-R434 VanDerWaalsContact CD-NH2 3.28Å; E380-R434 IonicContact OE1-CZ 2.98Å; E380-R434 IonicContact OE1-NH1 3.75Å; E380-R434 PolarHBondContact OE1-NH1 3.17Å; E380-R434 IonicContact OE1-NH2 2.63Å; E380-R434 PolarHBondContact OE1-NH2 3.42Å; E380-R434 IonicContact OE2-CZ 2.62Å; E380-R434 IonicContact OE2-NH1 2.65Å; E380-R434 PolarHBondContact OE2-NH1 2.73Å; E380-R434 IonicContact OE2-NH2 2.65Å; E380-R434 PolarHBondContact OE2-NH2 2.94Å; T397-R434 HydrophobicContact CG2-CG 4.26Å; L398-R434 PolarHBondContact O-N 3.07Å; T399-R434 CarbonylContact C-O 3.55Å; T399-R434 WeakPolarHBondContact CA-O 3.38Å; T399-R434 HydrophobicContact CG2-CB 4.32Å; L400-R434 PolarHBondContact N-O 3.36Å; L432-R434 HydrophobicContact CD2-CG 4.17Å; L432-R434 HydrophobicContact CG-CG 4.2Å
435	Q	88.6	Confident	85.6	Confident	38 Å²	38	59.4 Å²	59.4	18%	0.178	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.7	177	-175.8	70.1	15.7	0	0	109	L400 S437 D439 F443 M468	L400-Q435 VanDerWaalsContact CB-OE1 3.27Å; Q435-S437 WeakPolarHBondContact CG-O 3.3Å; Q435-S437 PolarHBondContact NE2-O 3.07Å; Q435-D439 PolarHBondContact NE2-O 2.63Å; Q435-F443 HydrophobicContact CB-CD2 4.12Å; Q435-F443 HydrophobicContact CB-CE2 3.96Å; Q435-F443 VanDerWaalsContact OE1-CD2 3.25Å; Q435-M468 HydrophobicContact CB-CE 4.09Å; Q435-M468 HydrophobicContact CB-SD 3.93Å; Q435-M468 HydrophobicContact CG-CE 4.11Å; Q435-M468 HydrophobicContact CG-SD 4.38Å
436	L	87.3	Confident	86.7	Confident	115 Å²	115	50.6 Å²	50.6	60%	0.602	25%	0.247	S	C	*	.			trans	-104.5	-20.2	171.1	-62.1	-177.5	0	0	0	112.3	T399 L400	T399-L436 HydrophobicContact CG2-CB 4.42Å; T399-L436 HydrophobicContact CG2-CD1 3.45Å; T399-L436 VanDerWaalsContact CG2-CD1 3.45Å; T399-L436 HydrophobicContact CG2-CG 3.67Å; L400-L436 CarbonylContact O-C 3.59Å; L400-L436 WeakPolarHBondContact O-CA 3.44Å; L400-L436 WeakPolarHBondContact O-CB 3.36Å; L400-L436 PolarHBondContact O-N 2.75Å
437	S	85.2	Confident	87.5	Confident	21 Å²	21	44 Å²	44	15%	0.147	22%	0.219	C	C	.	.	S	Bend	trans	-77.6	142.6	175.6	-172.8	0	0	0	0	111	L400 Q435 D439	L400-S437 PolarHBondContact O-N 2.78Å; Q435-S437 WeakPolarHBondContact CG-O 3.3Å; Q435-S437 PolarHBondContact NE2-O 3.07Å; S437-D439 PolarHBondContact O-N 3.12Å; S437-D439 PolarHBondContact OG-N 2.51Å
438	E	81.5	Confident	87.7	Confident	199 Å²	199	45.3 Å²	45.3	93%	0.93	22%	0.223	S	C	*	.	S	Bend	trans	-67.4	-22.2	167.4	-65.3	175.4	-176	0	0	111.8	N440	E438-N440 PolarHBondContact O-N 2.94Å
439	D	81.4	Confident	87.6	Confident	66 Å²	66	44.5 Å²	44.5	35%	0.353	22%	0.217	S	C	.	.			trans	-85.3	108.1	176.4	-166.6	-14.7	0	0	0	111.1	Q435 S437 K441	Q435-D439 PolarHBondContact NE2-O 2.63Å; S437-D439 PolarHBondContact O-N 3.12Å; S437-D439 PolarHBondContact OG-N 2.51Å; D439-K441 WeakPolarHBondContact OD1-CB 3.19Å; D439-K441 WeakPolarHBondContact OD1-CD 3.43Å; D439-K441 WeakPolarHBondContact OD1-CG 3.4Å; D439-K441 PolarHBondContact OD1-N 2.98Å; D439-K441 IonicContact OD2-NZ 3.6Å
440	N	81	Confident	87.6	Confident	67 Å²	67	43.9 Å²	43.9	36%	0.358	21%	0.213	S	C	.	.			trans	-94.5	1.4	-177.6	62.5	-6	0	0	0	114.2	E438 D442 F443 D466	E438-N440 PolarHBondContact O-N 2.94Å; N440-D442 PolarHBondContact O-N 3.28Å; N440-D442 VanDerWaalsContact O-N 3.14Å; N440-F443 VanDerWaalsContact O-CB 3.24Å; N440-F443 WeakPolarHBondContact O-CB 3.31Å; N440-F443 PolarHBondContact O-N 3.41Å; N440-D466 PolarHBondContact ND2-OD2 3.35Å
441	K	81.5	Confident	87.3	Confident	161 Å²	161	44.5 Å²	44.5	70%	0.7	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-38.9	-174.1	-73.8	169.1	-170.8	163.8	0	113.5	D439	D439-K441 WeakPolarHBondContact OD1-CB 3.19Å; D439-K441 WeakPolarHBondContact OD1-CD 3.43Å; D439-K441 WeakPolarHBondContact OD1-CG 3.4Å; D439-K441 PolarHBondContact OD1-N 2.98Å; D439-K441 IonicContact OD2-NZ 3.6Å
442	D	82.8	Confident	86.6	Confident	50 Å²	50	44.7 Å²	44.7	27%	0.267	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.7	-177.6	-50	-32.1	0	0	0	112.9	L400 R407 N440 E444 T445 I446	L400-D442 HydrophobicContact CD2-CB 4.22Å; R407-D442 IonicContact CZ-OD2 3.46Å; R407-D442 IonicContact NH1-OD2 2.64Å; R407-D442 PolarHBondContact NH1-OD2 3.23Å; N440-D442 PolarHBondContact O-N 3.28Å; N440-D442 VanDerWaalsContact O-N 3.14Å; D442-E444 VanDerWaalsContact C-N 3.35Å; D442-E444 PolarHBondContact O-N 3.19Å; D442-T445 WeakPolarHBondContact O-CA 3.49Å; D442-T445 VanDerWaalsContact O-CB 3.25Å; D442-T445 WeakPolarHBondContact O-CB 3.23Å; D442-T445 PolarHBondContact O-N 3.17Å; D442-I446 HydrophobicContact CB-CG1 4.4Å; D442-I446 WeakPolarHBondContact O-CG1 3.32Å; D442-I446 PolarHBondContact O-N 3.37Å
443	F	88.5	Confident	86	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-44.5	-168.5	-172.4	-116.3	0	0	0	111.8	L400 V433 Q435 N440 T445 I446 Q447 Q463 D466 M468	L400-F443 HydrophobicContact CD1-CD2 4.03Å; L400-F443 HydrophobicContact CD2-CB 4.5Å; L400-F443 HydrophobicContact CD2-CD2 4.45Å; V433-F443 HydrophobicContact CB-CE2 4.2Å; V433-F443 HydrophobicContact CG1-CD2 3.95Å; V433-F443 HydrophobicContact CG1-CE2 3.5Å; V433-F443 HydrophobicContact CG1-CZ 4.37Å; Q435-F443 HydrophobicContact CB-CD2 4.12Å; Q435-F443 HydrophobicContact CB-CE2 3.96Å; Q435-F443 VanDerWaalsContact OE1-CD2 3.25Å; N440-F443 VanDerWaalsContact O-CB 3.24Å; N440-F443 WeakPolarHBondContact O-CB 3.31Å; N440-F443 PolarHBondContact O-N 3.41Å; F443-T445 VanDerWaalsContact C-N 3.32Å; F443-T445 PolarHBondContact O-N 3.39Å; F443-I446 PolarHBondContact O-N 3.25Å; F443-Q447 HydrophobicContact CD1-CG 4.4Å; F443-Q447 HydrophobicContact CE1-CG 4.11Å; F443-Q447 HydrophobicContact CZ-CG 4.2Å; F443-Q447 VanDerWaalsContact O-CG 3.31Å; F443-Q447 WeakPolarHBondContact O-CG 3.29Å; F443-Q447 PolarHBondContact O-N 3.22Å; F443-Q463 HydrophobicContact CE1-CB 3.99Å; F443-Q463 HydrophobicContact CE1-CG 4.23Å; F443-Q463 HydrophobicContact CZ-CB 4.21Å; F443-Q463 HydrophobicContact CZ-CG 4.06Å; F443-D466 VanDerWaalsContact CD1-OD1 3.3Å; F443-D466 WeakPolarHBondContact CD1-OD1 3.48Å; F443-M468 HydrophobicContact CD1-CE 3.32Å; F443-M468 HydrophobicContact CD2-CE 4.09Å; F443-M468 HydrophobicContact CE1-CE 3.29Å; F443-M468 HydrophobicContact CE1-SD 4.14Å; F443-M468 HydrophobicContact CE2-CE 4Å; F443-M468 HydrophobicContact CG-CE 3.79Å; F443-M468 HydrophobicContact CZ-CE 3.65Å; F443-M468 HydrophobicContact CZ-SD 4.05Å
444	E	88	Confident	85.2	Confident	40 Å²	40	45.2 Å²	45.2	19%	0.187	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-43.7	175	-175.4	-175.4	160.6	0	0	111.9	D442 I446 Q447 K448	D442-E444 VanDerWaalsContact C-N 3.35Å; D442-E444 PolarHBondContact O-N 3.19Å; E444-I446 VanDerWaalsContact C-N 3.32Å; E444-I446 PolarHBondContact O-N 3.42Å; E444-Q447 PolarHBondContact O-N 3.25Å; E444-K448 HydrophobicContact CG-CD 4.49Å; E444-K448 WeakPolarHBondContact O-CG 3.09Å; E444-K448 PolarHBondContact O-N 2.69Å; E444-K448 VanDerWaalsContact OE1-CE 3.23Å; E444-K448 WeakPolarHBondContact OE1-CE 3.49Å; E444-K448 IonicContact OE1-NZ 2.78Å; E444-K448 PolarHBondContact OE1-NZ 3.25Å
445	T	86.5	Confident	84.8	Confident	34 Å²	34	42.4 Å²	42.4	21%	0.209	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-42.2	177.9	-60.8	0	0	0	0	111	D442 F443 K448 L449 F557	D442-T445 WeakPolarHBondContact O-CA 3.49Å; D442-T445 VanDerWaalsContact O-CB 3.25Å; D442-T445 WeakPolarHBondContact O-CB 3.23Å; D442-T445 PolarHBondContact O-N 3.17Å; F443-T445 VanDerWaalsContact C-N 3.32Å; F443-T445 PolarHBondContact O-N 3.39Å; T445-K448 WeakPolarHBondContact O-CB 3.27Å; T445-K448 PolarHBondContact O-N 3.21Å; T445-L449 PolarHBondContact O-N 2.92Å; T445-F557 HydrophobicContact CG2-CB 3.51Å; T445-F557 HydrophobicContact CG2-CD1 3.28Å; T445-F557 HydrophobicContact CG2-CE1 4.19Å; T445-F557 HydrophobicContact CG2-CG 3.66Å
446	I	89.1	Confident	84.8	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.036	20%	0.204	C	C	.	.	H	α-helix	trans	-73.1	-34.7	179	-55.8	-40	0	0	0	112	L398 L400 L411 V433 D442 F443 E444 K448 L449 A450	L398-I446 HydrophobicContact CB-CG2 4.01Å; L398-I446 HydrophobicContact CD1-CG2 4.07Å; L400-I446 HydrophobicContact CD1-CB 4.03Å; L400-I446 HydrophobicContact CD1-CG1 4.05Å; L400-I446 HydrophobicContact CD1-CG2 3.9Å; L400-I446 HydrophobicContact CD2-CG1 4.02Å; L400-I446 HydrophobicContact CG-CG1 4.18Å; L411-I446 HydrophobicContact CD1-CD1 3.25Å; L411-I446 HydrophobicContact CD1-CG1 4.08Å; L411-I446 HydrophobicContact CD2-CD1 4.32Å; L411-I446 HydrophobicContact CD2-CG2 4.35Å; L411-I446 HydrophobicContact CG-CD1 4.42Å; V433-I446 HydrophobicContact CG1-CB 4.26Å; V433-I446 HydrophobicContact CG1-CG2 3.7Å; V433-I446 HydrophobicContact CG2-CG2 4.13Å; D442-I446 HydrophobicContact CB-CG1 4.4Å; D442-I446 WeakPolarHBondContact O-CG1 3.32Å; D442-I446 PolarHBondContact O-N 3.37Å; F443-I446 PolarHBondContact O-N 3.25Å; E444-I446 VanDerWaalsContact C-N 3.32Å; E444-I446 PolarHBondContact O-N 3.42Å; I446-K448 VanDerWaalsContact C-N 3.34Å; I446-L449 HydrophobicContact CD1-CD2 4.47Å; I446-L449 WeakPolarHBondContact O-CB 3.48Å; I446-L449 PolarHBondContact O-N 3.28Å; I446-A450 WeakPolarHBondContact O-CB 3.26Å; I446-A450 PolarHBondContact O-N 3.11Å
447	Q	90.6	Very high	85	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-44.1	171.5	-68.4	176.8	-65.8	0	0	111.4	V433 F443 E444 L449 A450 Y451 Y457 Q463 W506	V433-Q447 HydrophobicContact CG2-CG 4.49Å; F443-Q447 HydrophobicContact CD1-CG 4.4Å; F443-Q447 HydrophobicContact CE1-CG 4.11Å; F443-Q447 HydrophobicContact CZ-CG 4.2Å; F443-Q447 VanDerWaalsContact O-CG 3.31Å; F443-Q447 WeakPolarHBondContact O-CG 3.29Å; F443-Q447 PolarHBondContact O-N 3.22Å; E444-Q447 PolarHBondContact O-N 3.25Å; Q447-L449 VanDerWaalsContact C-N 3.32Å; Q447-L449 PolarHBondContact O-N 2.81Å; Q447-A450 PolarHBondContact O-N 3.12Å; Q447-Y451 PolarHBondContact O-N 2.75Å; Q447-Y457 WeakPolarHBondContact CG-OH 3.38Å; Q447-Y457 PolarHBondContact NE2-OH 3.36Å; Q447-Q463 PolarHBondContact NE2-O 3.17Å; Q447-Q463 PolarHBondContact OE1-O 3.26Å; Q447-W506 HydrophobicContact CB-CZ3 3.94Å
448	K	87.6	Confident	85.5	Confident	41 Å²	41	34.3 Å²	34.3	18%	0.178	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-42.5	174.8	-73.4	176.9	-176.2	166.2	0	111.6	E444 T445 I446 Y451 F452 W506 F509 F557	E444-K448 HydrophobicContact CG-CD 4.49Å; E444-K448 WeakPolarHBondContact O-CG 3.09Å; E444-K448 PolarHBondContact O-N 2.69Å; E444-K448 VanDerWaalsContact OE1-CE 3.23Å; E444-K448 WeakPolarHBondContact OE1-CE 3.49Å; E444-K448 IonicContact OE1-NZ 2.78Å; E444-K448 PolarHBondContact OE1-NZ 3.25Å; T445-K448 WeakPolarHBondContact O-CB 3.27Å; T445-K448 PolarHBondContact O-N 3.21Å; I446-K448 VanDerWaalsContact C-N 3.34Å; K448-Y451 PolarHBondContact O-N 3.46Å; K448-F452 WeakPolarHBondContact O-CB 3.45Å; K448-F452 PolarHBondContact O-N 3.48Å; K448-W506 HydrophobicContact CG-CE3 4.41Å; K448-W506 HydrophobicContact CG-CZ3 4.18Å; K448-F509 HydrophobicContact CB-CD1 4.4Å; K448-F509 HydrophobicContact CB-CD2 4.38Å; K448-F509 HydrophobicContact CB-CE1 3.75Å; K448-F509 HydrophobicContact CB-CE2 3.72Å; K448-F509 HydrophobicContact CB-CZ 3.35Å; K448-F509 HydrophobicContact CD-CD1 4.46Å; K448-F509 HydrophobicContact CD-CD2 3.85Å; K448-F509 HydrophobicContact CD-CE2 3.98Å; K448-F509 HydrophobicContact CD-CG 4.08Å; K448-F509 HydrophobicContact CD-CZ 4.33Å; K448-F509 HydrophobicContact CG-CD1 3.79Å; K448-F509 HydrophobicContact CG-CD2 3.95Å; K448-F509 HydrophobicContact CG-CE1 3.65Å; K448-F509 HydrophobicContact CG-CE2 3.8Å; K448-F509 HydrophobicContact CG-CG 3.92Å; K448-F509 HydrophobicContact CG-CZ 3.64Å; K448-F509 WeakPolarHBondContact O-CZ 3.48Å; K448-F557 HydrophobicContact CB-CE1 4.34Å
449	L	85.5	Confident	86.2	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-51.1	173.7	174.6	55.1	0	0	0	111.7	L398 I415 T445 I446 Q447 Y451 F452 L453 F538 I540 F557	L398-L449 HydrophobicContact CD1-CD2 4.45Å; L398-L449 HydrophobicContact CD1-CG 4.34Å; I415-L449 HydrophobicContact CD1-CD2 3.93Å; T445-L449 PolarHBondContact O-N 2.92Å; I446-L449 HydrophobicContact CD1-CD2 4.47Å; I446-L449 WeakPolarHBondContact O-CB 3.48Å; I446-L449 PolarHBondContact O-N 3.28Å; Q447-L449 VanDerWaalsContact C-N 3.32Å; Q447-L449 PolarHBondContact O-N 2.81Å; L449-Y451 VanDerWaalsContact C-N 3.31Å; L449-Y451 PolarHBondContact O-N 2.97Å; L449-F452 PolarHBondContact O-N 2.94Å; L449-L453 HydrophobicContact CD1-CD1 4.43Å; L449-L453 HydrophobicContact CD1-CD2 4.25Å; L449-L453 HydrophobicContact CD1-CG 4.05Å; L449-L453 HydrophobicContact CG-CD1 4.4Å; L449-L453 HydrophobicContact CG-CG 4.46Å; L449-L453 WeakPolarHBondContact O-CG 3.46Å; L449-L453 PolarHBondContact O-N 3.17Å; L449-F538 HydrophobicContact CD1-CE1 4.09Å; L449-F538 HydrophobicContact CD2-CD1 4.05Å; L449-F538 HydrophobicContact CD2-CE1 3.72Å; L449-I540 HydrophobicContact CD1-CD1 3.37Å; L449-F557 HydrophobicContact CB-CE1 4.04Å; L449-F557 HydrophobicContact CB-CE2 4.04Å; L449-F557 HydrophobicContact CB-CZ 3.49Å; L449-F557 VanDerWaalsContact CB-CZ 3.49Å; L449-F557 HydrophobicContact CD1-CE2 3.7Å; L449-F557 HydrophobicContact CD1-CZ 3.81Å; L449-F557 HydrophobicContact CD2-CE2 4.35Å; L449-F557 HydrophobicContact CG-CE2 4.23Å; L449-F557 HydrophobicContact CG-CZ 4.13Å
450	A	89.6	Confident	86.8	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.4	-42.8	178.7	0	0	0	0	0	112.2	L398 W431 V433 I446 Q447 F452 L453 Y457	L398-A450 HydrophobicContact CD1-CB 4.11Å; W431-A450 HydrophobicContact CB-CB 4.04Å; V433-A450 HydrophobicContact CG2-CB 3.49Å; V433-A450 VanDerWaalsContact CG2-CB 3.49Å; I446-A450 WeakPolarHBondContact O-CB 3.26Å; I446-A450 PolarHBondContact O-N 3.11Å; Q447-A450 PolarHBondContact O-N 3.12Å; A450-F452 VanDerWaalsContact C-N 3.33Å; A450-F452 PolarHBondContact O-N 3.48Å; A450-L453 PolarHBondContact O-N 2.84Å; A450-Y457 HydrophobicContact CB-CD2 3.69Å; A450-Y457 HydrophobicContact CB-CE2 3.87Å; A450-Y457 HydrophobicContact CB-CG 4.37Å
451	Y	86.3	Confident	87.5	Confident	15 Å²	15	20.2 Å²	20.2	6%	0.059	10%	0.1	C	C	.	.	H	α-helix	trans	-62.4	-39.2	173.3	-178.3	-97.8	0	0	0	112.5	R152 Q154 Q447 K448 L449 Y457 W506 F509 I510 L513	R152-Y451 PolarHBondContact NH1-O 2.78Å; R152-Y451 PolarHBondContact NH2-O 3.23Å; Q154-Y451 HydrophobicContact CB-CE2 4.46Å; Q447-Y451 PolarHBondContact O-N 2.75Å; K448-Y451 PolarHBondContact O-N 3.46Å; L449-Y451 VanDerWaalsContact C-N 3.31Å; L449-Y451 PolarHBondContact O-N 2.97Å; Y451-Y457 HydrophobicContact CD2-CD1 4.22Å; Y451-W506 HydrophobicContact CG-CH2 4.42Å; Y451-F509 HydrophobicContact CD1-CD1 4.48Å; Y451-F509 AromaticContact CD1-CE1 3.66Å; Y451-F509 HydrophobicContact CD1-CE1 3.66Å; Y451-F509 HydrophobicContact CD1-CZ 4.35Å; Y451-F509 HydrophobicContact CE1-CE1 4.48Å; Y451-F509 HydrophobicContact CG-CE1 4.21Å; Y451-I510 HydrophobicContact CE1-CG2 4.44Å; Y451-L513 HydrophobicContact CD1-CD1 4.12Å; Y451-L513 HydrophobicContact CE1-CB 3.95Å; Y451-L513 HydrophobicContact CE1-CD1 4.31Å
452	F	79.5	Confident	88	Confident	4 Å²	4	12.5 Å²	12.5	2%	0.018	7%	0.067	C	C	.	.	H	α-helix	trans	-76.1	-27.2	-177.9	-177.5	-103.8	0	0	0	113.8	K448 L449 A450 L513 L518 I555	K448-F452 WeakPolarHBondContact O-CB 3.45Å; K448-F452 PolarHBondContact O-N 3.48Å; L449-F452 PolarHBondContact O-N 2.94Å; A450-F452 VanDerWaalsContact C-N 3.33Å; A450-F452 PolarHBondContact O-N 3.48Å; F452-L513 HydrophobicContact CD2-CD1 4.12Å; F452-L513 HydrophobicContact CD2-CD2 3.97Å; F452-L513 HydrophobicContact CE2-CD2 4.12Å; F452-L518 HydrophobicContact CD1-CB 4.01Å; F452-L518 HydrophobicContact CD1-CD1 4.49Å; F452-L518 HydrophobicContact CE1-CB 3.45Å; F452-L518 VanDerWaalsContact CE1-CB 3.45Å; F452-L518 HydrophobicContact CE1-CD1 3.35Å; F452-L518 HydrophobicContact CE1-CD2 4.5Å; F452-L518 HydrophobicContact CE1-CG 3.88Å; F452-L518 HydrophobicContact CE2-CB 4.49Å; F452-L518 HydrophobicContact CZ-CB 3.71Å; F452-L518 HydrophobicContact CZ-CD1 3.64Å; F452-L518 HydrophobicContact CZ-CG 4.26Å; F452-L518 PolarHBondContact O-N 3.3Å; F452-I555 HydrophobicContact CB-CD1 4.14Å; F452-I555 HydrophobicContact CD1-CD1 3.11Å; F452-I555 HydrophobicContact CD1-CG1 4.14Å; F452-I555 HydrophobicContact CD2-CD1 3.59Å; F452-I555 HydrophobicContact CE1-CD1 3.08Å; F452-I555 HydrophobicContact CE1-CG1 3.68Å; F452-I555 HydrophobicContact CE2-CD1 3.64Å; F452-I555 HydrophobicContact CG-CD1 3.32Å; F452-I555 HydrophobicContact CZ-CD1 3.38Å; F452-I555 HydrophobicContact CZ-CG1 3.93Å
453	L	80.6	Confident	88.5	Confident	2 Å²	2	10.6 Å²	10.6	1%	0.01	6%	0.056	C	C	.	.	S	Bend	trans	-58.8	159.1	175.3	-74.7	175.8	0	0	0	111.6	R152 L398 I415 M419 W431 L449 A450 I540	R152-L453 PolarHBondContact NH1-O 2.62Å; L398-L453 HydrophobicContact CD1-CD1 3.89Å; I415-L453 HydrophobicContact CD1-CD1 4.43Å; I415-L453 HydrophobicContact CG1-CD1 4.42Å; M419-L453 HydrophobicContact CE-CD2 4.1Å; W431-L453 HydrophobicContact CD2-CB 4.29Å; W431-L453 HydrophobicContact CD2-CD1 3.77Å; W431-L453 HydrophobicContact CE3-CD1 3.94Å; W431-L453 HydrophobicContact CG-CB 4.35Å; W431-L453 HydrophobicContact CG-CD1 4.4Å; W431-L453 HydrophobicContact CH2-CD1 3.98Å; W431-L453 HydrophobicContact CZ2-CB 4.24Å; W431-L453 HydrophobicContact CZ2-CD1 3.84Å; W431-L453 HydrophobicContact CZ3-CD1 4.03Å; L449-L453 HydrophobicContact CD1-CD1 4.43Å; L449-L453 HydrophobicContact CD1-CD2 4.25Å; L449-L453 HydrophobicContact CD1-CG 4.05Å; L449-L453 HydrophobicContact CG-CD1 4.4Å; L449-L453 HydrophobicContact CG-CG 4.46Å; L449-L453 WeakPolarHBondContact O-CG 3.46Å; L449-L453 PolarHBondContact O-N 3.17Å; A450-L453 PolarHBondContact O-N 2.84Å; L453-I540 HydrophobicContact CD2-CD1 4.35Å
454	P	76.8	Confident	88.7	Confident	20 Å²	20	10.7 Å²	10.7	13%	0.13	6%	0.057	C	C	.	.	S	Bend	trans	-62.8	153.3	-178.4	-17.4	32.8	0	0	0	110.8	M419 P429 W431 L519	M419-P454 HydrophobicContact CE-CG 4.09Å; P429-P454 WeakPolarHBondContact CG-O 3.17Å; W431-P454 PolarHBondContact NE1-O 2.8Å; P454-L519 HydrophobicContact CB-CB 3.93Å; P454-L519 HydrophobicContact CB-CD1 4.05Å; P454-L519 HydrophobicContact CB-CG 4.45Å; P454-L519 HydrophobicContact CG-CB 3.67Å; P454-L519 HydrophobicContact CG-CD1 3.03Å; P454-L519 HydrophobicContact CG-CG 3.64Å
455	G	82.5	Confident	88.9	Confident	9 Å²	9	8.8 Å²	8.8	9%	0.093	5%	0.048	C	C	.	.	S	Bend	trans	84	-146.4	-179.6	0	0	0	0	0	111.9	R151 R152 P429	R151-G455 CarbonylContact O-C 3.55Å; R151-G455 VanDerWaalsContact O-CA 3.26Å; R151-G455 WeakPolarHBondContact O-CA 2.88Å; R152-G455 WeakPolarHBondContact CD-O 3.24Å; R152-G455 PolarHBondContact NH1-O 3.31Å; P429-G455 WeakPolarHBondContact O-CA 3.33Å
456	S	89	Confident	89.1	Confident	1 Å²	1	7.8 Å²	7.8	1%	0.007	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	154.2	-169.4	-67.3	0	0	0	0	111.2	W150 T153 P429 I430 W431	W150-S456 PolarHBondContact O-OG 3.14Å; T153-S456 WeakPolarHBondContact CG2-OG 3.07Å; T153-S456 PolarHBondContact N-OG 3.09Å; T153-S456 VanDerWaalsContact O-CA 3.26Å; T153-S456 WeakPolarHBondContact O-CA 3.06Å; T153-S456 VanDerWaalsContact O-CB 3.25Å; T153-S456 WeakPolarHBondContact O-CB 3.28Å; P429-S456 PolarHBondContact O-N 3.03Å; I430-S456 CarbonylContact C-O 3.42Å; I430-S456 WeakPolarHBondContact CA-O 3.1Å; W431-S456 PolarHBondContact N-O 2.84Å
457	Y	92.4	Very high	89.2	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.3	175.1	175	-136.5	0	0	0	109.2	T153 Q154 I155 W431 V433 Q447 A450 Y451 M459 W506	T153-Y457 PolarHBondContact O-N 3.24Å; Q154-Y457 VanDerWaalsContact NE2-CD1 3.29Å; Q154-Y457 PolarHBondContact NE2-O 3.03Å; I155-Y457 PolarHBondContact N-O 2.61Å; W431-Y457 HydrophobicContact CB-CD2 4.49Å; W431-Y457 VanDerWaalsContact O-CD2 3.25Å; W431-Y457 WeakPolarHBondContact O-CD2 3.48Å; V433-Y457 HydrophobicContact CG2-CE2 3.91Å; Q447-Y457 WeakPolarHBondContact CG-OH 3.38Å; Q447-Y457 PolarHBondContact NE2-OH 3.36Å; A450-Y457 HydrophobicContact CB-CD2 3.69Å; A450-Y457 HydrophobicContact CB-CE2 3.87Å; A450-Y457 HydrophobicContact CB-CG 4.37Å; Y451-Y457 HydrophobicContact CD2-CD1 4.22Å; Y457-M459 HydrophobicContact CE1-CB 3.8Å; Y457-M459 HydrophobicContact CE1-CE 4.42Å; Y457-M459 HydrophobicContact CE1-CG 4.36Å; Y457-M459 HydrophobicContact CE1-SD 4.12Å; Y457-W506 HydrophobicContact CD1-CH2 4Å; Y457-W506 HydrophobicContact CD1-CZ2 4.37Å; Y457-W506 AromaticContact CE1-CH2 3.65Å; Y457-W506 HydrophobicContact CE1-CH2 3.65Å; Y457-W506 HydrophobicContact CE1-CZ2 4.14Å
458	L	95.6	Very high	88.9	Confident	2 Å²	2	12.6 Å²	12.6	1%	0.01	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112.6	172.6	176.7	63.2	0	0	0	108.8	I155 Q157 L194 F377 L395 I430 W431 L432	I155-L458 HydrophobicContact CB-CD1 3.76Å; I155-L458 HydrophobicContact CG2-CD1 3.52Å; I155-L458 WeakPolarHBondContact O-CA 3.46Å; Q157-L458 HydrophobicContact CB-CD1 4.09Å; L194-L458 HydrophobicContact CD2-CD1 4.21Å; F377-L458 HydrophobicContact CE2-CD2 4.17Å; F377-L458 HydrophobicContact CZ-CD2 4.29Å; L395-L458 HydrophobicContact CD1-CD2 4.37Å; I430-L458 HydrophobicContact CG2-CB 3.7Å; W431-L458 PolarHBondContact O-N 3.49Å; L432-L458 HydrophobicContact CD1-CD2 4.21Å; L432-L458 HydrophobicContact CD1-CG 4.2Å
459	M	94.5	Very high	88.8	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.5	175	-178.6	157.3	46.1	0	0	109.7	I155 Y156 Q157 I188 Y457 Q463 E464 W506	I155-M459 PolarHBondContact O-N 3.25Å; Y156-M459 WeakPolarHBondContact CA-O 3.41Å; Y156-M459 HydrophobicContact CD2-CB 4.31Å; Y156-M459 HydrophobicContact CD2-CE 4Å; Y156-M459 HydrophobicContact CD2-CG 4.23Å; Y156-M459 HydrophobicContact CE2-CE 4.31Å; Y156-M459 HydrophobicContact CE2-CG 4.34Å; Q157-M459 PolarHBondContact N-O 3.21Å; I188-M459 HydrophobicContact CD1-CE 4.34Å; I188-M459 HydrophobicContact CG2-CE 3.35Å; Y457-M459 HydrophobicContact CE1-CB 3.8Å; Y457-M459 HydrophobicContact CE1-CE 4.42Å; Y457-M459 HydrophobicContact CE1-CG 4.36Å; Y457-M459 HydrophobicContact CE1-SD 4.12Å; M459-Q463 HydrophobicContact CG-CB 4.16Å; M459-E464 HydrophobicContact SD-CB 4.17Å; M459-W506 HydrophobicContact CE-CZ2 3.92Å; M459-W506 HydrophobicContact SD-CZ2 4.49Å
460	L	95.1	Very high	88.4	Confident	34 Å²	34	13.5 Å²	13.5	18%	0.178	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	143.3	173	-51.1	179.9	0	0	0	109.5	Q157 L432 G462 Q463	Q157-L460 HydrophobicContact CB-CD2 3.92Å; Q157-L460 HydrophobicContact CG-CD2 4.22Å; L432-L460 HydrophobicContact CD1-CD1 4.46Å; L432-L460 HydrophobicContact CD1-CD2 4.21Å; L432-L460 HydrophobicContact CD1-CG 4.13Å; L460-G462 PolarHBondContact O-N 3.38Å; L460-Q463 HydrophobicContact CB-CG 3.95Å; L460-Q463 VanDerWaalsContact N-OE1 3.09Å; L460-Q463 VanDerWaalsContact O-CB 3.31Å; L460-Q463 WeakPolarHBondContact O-CB 3.17Å; L460-Q463 WeakPolarHBondContact O-CG 3.03Å; L460-Q463 PolarHBondContact O-N 2.97Å; L460-Q463 VanDerWaalsContact O-N 3.12Å
461	A	94.9	Very high	88.1	Confident	2 Å²	2	16.1 Å²	16.1	2%	0.017	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	132.6	179.1	0	0	0	0	0	112.6	Y156 Q157 W163 I475	Y156-A461 HydrophobicContact CE1-CB 3.73Å; Y156-A461 WeakPolarHBondContact OH-CA 3.35Å; Y156-A461 WeakPolarHBondContact OH-CB 3.21Å; Q157-A461 VanDerWaalsContact O-CB 3.23Å; Q157-A461 WeakPolarHBondContact O-CB 3.17Å; Q157-A461 PolarHBondContact O-N 3.35Å; W163-A461 VanDerWaalsContact CD1-CB 3.43Å; A461-I475 HydrophobicContact CB-CD1 4.24Å
462	G	93.1	Very high	88.1	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-22.4	-177.4	0	0	0	0	0	113.7	L460 E464 V465 D466 I467	L460-G462 PolarHBondContact O-N 3.38Å; G462-E464 VanDerWaalsContact C-OE2 3.23Å; G462-E464 WeakPolarHBondContact CA-OE2 3.33Å; G462-E464 PolarHBondContact N-OE2 3.45Å; G462-E464 PolarHBondContact O-N 2.87Å; G462-V465 CarbonylContact O-C 3.26Å; G462-V465 VanDerWaalsContact O-CG2 3.29Å; G462-V465 WeakPolarHBondContact O-CG2 3.38Å; G462-V465 PolarHBondContact O-N 3.34Å; G462-D466 PolarHBondContact O-N 2.92Å; G462-D466 VanDerWaalsContact O-N 3.16Å; G462-I467 CarbonylContact C-O 3.6Å; G462-I467 PolarHBondContact O-N 2.87Å
463	Q	93.4	Very high	88.7	Confident	9 Å²	9	28.4 Å²	28.4	4%	0.042	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-64.3	-24.9	-179.6	-70.8	-173.6	-28.5	0	0	113.3	V433 F443 Q447 M459 L460 V465 D466	V433-Q463 PolarHBondContact O-NE2 2.91Å; F443-Q463 HydrophobicContact CE1-CB 3.99Å; F443-Q463 HydrophobicContact CE1-CG 4.23Å; F443-Q463 HydrophobicContact CZ-CB 4.21Å; F443-Q463 HydrophobicContact CZ-CG 4.06Å; Q447-Q463 PolarHBondContact NE2-O 3.17Å; Q447-Q463 PolarHBondContact OE1-O 3.26Å; M459-Q463 HydrophobicContact CG-CB 4.16Å; L460-Q463 HydrophobicContact CB-CG 3.95Å; L460-Q463 VanDerWaalsContact N-OE1 3.09Å; L460-Q463 VanDerWaalsContact O-CB 3.31Å; L460-Q463 WeakPolarHBondContact O-CB 3.17Å; L460-Q463 WeakPolarHBondContact O-CG 3.03Å; L460-Q463 PolarHBondContact O-N 2.97Å; L460-Q463 VanDerWaalsContact O-N 3.12Å; Q463-V465 PolarHBondContact O-N 2.8Å; Q463-D466 PolarHBondContact O-N 3.46Å
464	E	91.7	Very high	89.3	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.009	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-59.2	-26.3	173.5	64	-92.9	-144.1	0	0	113	Y156 Y183 I188 M459 G462 R502 L503	Y156-E464 PolarHBondContact OH-OE1 2.87Å; Y156-E464 PolarHBondContact OH-OE2 3.23Å; Y183-E464 WeakPolarHBondContact OH-CG 3.48Å; Y183-E464 PolarHBondContact OH-OE1 2.98Å; I188-E464 HydrophobicContact CD1-CB 3.57Å; I188-E464 HydrophobicContact CD1-CG 3.67Å; M459-E464 HydrophobicContact SD-CB 4.17Å; G462-E464 VanDerWaalsContact C-OE2 3.23Å; G462-E464 WeakPolarHBondContact CA-OE2 3.33Å; G462-E464 PolarHBondContact N-OE2 3.45Å; G462-E464 PolarHBondContact O-N 2.87Å; E464-R502 WeakPolarHBondContact O-CD 3.23Å; E464-R502 WeakPolarHBondContact O-CG 3.33Å; E464-R502 PolarHBondContact O-NE 3.07Å; E464-L503 HydrophobicContact CB-CD1 4.36Å; E464-L503 HydrophobicContact CG-CD1 4.27Å
465	V	93	Very high	90.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-122.4	24.7	178.2	-65	0	0	0	0	111	G462 Q463 I467 P490 N492 L495	G462-V465 CarbonylContact O-C 3.26Å; G462-V465 VanDerWaalsContact O-CG2 3.29Å; G462-V465 WeakPolarHBondContact O-CG2 3.38Å; G462-V465 PolarHBondContact O-N 3.34Å; Q463-V465 PolarHBondContact O-N 2.8Å; V465-I467 VanDerWaalsContact C-N 3.29Å; V465-I467 HydrophobicContact CG2-CD1 3.57Å; V465-I467 HydrophobicContact CG2-CG1 3.85Å; V465-I467 PolarHBondContact O-N 2.89Å; V465-P490 HydrophobicContact CG2-CB 3.63Å; V465-P490 WeakPolarHBondContact CG2-O 3.14Å; V465-N492 HydrophobicContact CB-CB 4.4Å; V465-N492 HydrophobicContact CG2-CB 4.47Å; V465-N492 WeakPolarHBondContact O-CB 3.28Å; V465-N492 PolarHBondContact O-ND2 3.49Å; V465-L495 WeakPolarHBondContact O-CD1 3.21Å
466	D	91	Very high	90.7	Very high	14 Å²	14	37.3 Å²	37.3	8%	0.075	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	25	173.8	-146.6	53.4	0	0	0	115.8	N440 F443 G462 Q463 M468 N492 L495 R502	N440-D466 PolarHBondContact ND2-OD2 3.35Å; F443-D466 VanDerWaalsContact CD1-OD1 3.3Å; F443-D466 WeakPolarHBondContact CD1-OD1 3.48Å; G462-D466 PolarHBondContact O-N 2.92Å; G462-D466 VanDerWaalsContact O-N 3.16Å; Q463-D466 PolarHBondContact O-N 3.46Å; D466-M468 WeakPolarHBondContact OD1-CE 3.39Å; D466-N492 PolarHBondContact O-ND2 2.82Å; D466-L495 HydrophobicContact CB-CD1 3.85Å; D466-L495 HydrophobicContact CB-CG 4.48Å; D466-R502 VanDerWaalsContact CB-NH1 3.29Å; D466-R502 IonicContact OD1-CZ 2.8Å; D466-R502 IonicContact OD1-NH1 2.85Å; D466-R502 PolarHBondContact OD1-NH1 2.7Å; D466-R502 IonicContact OD1-NH2 2.68Å; D466-R502 IonicContact OD2-NH1 2.61Å
467	I	90.7	Very high	91	Very high	20 Å²	20	39.3 Å²	39.3	10%	0.103	19%	0.189	C	C	.	.			trans	-86.6	111.2	171.9	-61	167.2	0	0	0	107.8	G462 V465 N469 I475 P490 N492	G462-I467 CarbonylContact C-O 3.6Å; G462-I467 PolarHBondContact O-N 2.87Å; V465-I467 VanDerWaalsContact C-N 3.29Å; V465-I467 HydrophobicContact CG2-CD1 3.57Å; V465-I467 HydrophobicContact CG2-CG1 3.85Å; V465-I467 PolarHBondContact O-N 2.89Å; I467-N469 VanDerWaalsContact CG2-OD1 3.3Å; I467-N469 WeakPolarHBondContact CG2-OD1 3.39Å; I467-I475 HydrophobicContact CD1-CG2 4.19Å; I467-P490 HydrophobicContact CD1-CB 4.17Å; I467-N492 HydrophobicContact CD1-CB 4.43Å; I467-N492 HydrophobicContact CG1-CB 4.01Å
468	M	85	Confident	91	Very high	88 Å²	88	41 Å²	41	43%	0.433	20%	0.2	S	C	.	.	S	Bend	trans	-89	-23.1	-177	-61.5	-62.9	168.2	0	0	113.3	Q435 F443 D466	Q435-M468 HydrophobicContact CB-CE 4.09Å; Q435-M468 HydrophobicContact CB-SD 3.93Å; Q435-M468 HydrophobicContact CG-CE 4.11Å; Q435-M468 HydrophobicContact CG-SD 4.38Å; F443-M468 HydrophobicContact CD1-CE 3.32Å; F443-M468 HydrophobicContact CD2-CE 4.09Å; F443-M468 HydrophobicContact CE1-CE 3.29Å; F443-M468 HydrophobicContact CE1-SD 4.14Å; F443-M468 HydrophobicContact CE2-CE 4Å; F443-M468 HydrophobicContact CG-CE 3.79Å; F443-M468 HydrophobicContact CZ-CE 3.65Å; F443-M468 HydrophobicContact CZ-SD 4.05Å; D466-M468 WeakPolarHBondContact OD1-CE 3.39Å
469	N	83.5	Confident	91	Very high	60 Å²	60	46.6 Å²	46.6	32%	0.321	22%	0.222	S	C	.	.			trans	-99.6	19.4	-178.2	65.3	-15.4	0	0	0	113	I467 N471 E472 Q473	I467-N469 VanDerWaalsContact CG2-OD1 3.3Å; I467-N469 WeakPolarHBondContact CG2-OD1 3.39Å; N469-N471 PolarHBondContact O-N 2.9Å; N469-N471 VanDerWaalsContact O-N 3.1Å; N469-E472 PolarHBondContact O-N 3.07Å; N469-Q473 VanDerWaalsContact ND2-CD 3.26Å; N469-Q473 PolarHBondContact ND2-OE1 3.07Å; N469-Q473 PolarHBondContact O-N 2.73Å
470	G	79	Confident	90.9	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.021	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.8	-178.2	0	0	0	0	0	114.3	T162	T162-G470 WeakPolarHBondContact CB-O 3.39Å; T162-G470 PolarHBondContact OG1-O 3.04Å
471	N	83	Confident	90.9	Very high	55 Å²	55	53.1 Å²	53.1	29%	0.294	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-10.4	173.2	-73	-10.2	0	0	0	113.7	N159 N469	N159-N471 PolarHBondContact ND2-O 3.44Å; N469-N471 PolarHBondContact O-N 2.9Å; N469-N471 VanDerWaalsContact O-N 3.1Å
472	E	85.8	Confident	90.7	Very high	157 Å²	157	60 Å²	60	73%	0.734	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-33.9	-176.4	-63.5	179.2	177.7	0	0	112.4	N469	N469-E472 PolarHBondContact O-N 3.07Å
473	Q	91.1	Very high	90.7	Very high	119 Å²	119	65.9 Å²	65.9	56%	0.556	31%	0.314	S	S	*	.	S	Bend	trans	-121.2	141.2	-175.9	-64.4	-173.7	-4.9	0	0	111.2	N469 I475	N469-Q473 VanDerWaalsContact ND2-CD 3.26Å; N469-Q473 PolarHBondContact ND2-OE1 3.07Å; N469-Q473 PolarHBondContact O-N 2.73Å; Q473-I475 PolarHBondContact O-N 3.26Å; Q473-I475 VanDerWaalsContact O-N 3.14Å
474	L	94.2	Very high	90.7	Very high	55 Å²	55	68.2 Å²	68.2	29%	0.288	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-58.3	117.8	177.1	-175.2	64.8	0	0	0	111	T162 N165 G169 K476	T162-L474 CarbonylContact O-C 3.53Å; T162-L474 VanDerWaalsContact O-CA 3.26Å; T162-L474 WeakPolarHBondContact O-CA 3.47Å; N165-L474 HydrophobicContact CB-CD1 4.5Å; N165-L474 HydrophobicContact CB-CD2 4.02Å; G169-L474 WeakPolarHBondContact O-CD2 3.31Å; L474-K476 PolarHBondContact O-N 3.16Å
475	I	94.9	Very high	90.8	Very high	9 Å²	9	70.5 Å²	70.5	5%	0.046	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-67.8	130.3	178.1	-66.3	176.4	0	0	0	109.5	T162 A461 I467 Q473 W477 P490	T162-I475 PolarHBondContact O-N 2.98Å; A461-I475 HydrophobicContact CB-CD1 4.24Å; I467-I475 HydrophobicContact CD1-CG2 4.19Å; Q473-I475 PolarHBondContact O-N 3.26Å; Q473-I475 VanDerWaalsContact O-N 3.14Å; I475-W477 VanDerWaalsContact O-CD1 3.23Å; I475-P490 HydrophobicContact CG2-CB 3.57Å; I475-P490 HydrophobicContact CG2-CG 4.15Å
476	K	93.7	Very high	90.6	Very high	154 Å²	154	72.3 Å²	72.3	67%	0.67	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-81.9	144	171.9	-67.2	-176.6	-178.8	-179.1	0	110.2	L474 P490 T491	L474-K476 PolarHBondContact O-N 3.16Å; K476-P490 CarbonylContact O-C 3.53Å; K476-P490 WeakPolarHBondContact O-CA 3.4Å; K476-T491 VanDerWaalsContact CB-OG1 3.22Å; K476-T491 WeakPolarHBondContact CB-OG1 3.31Å; K476-T491 PolarHBondContact O-N 3.28Å; K476-T491 PolarHBondContact O-OG1 2.86Å
477	W	94.5	Very high	90.7	Very high	44 Å²	44	73 Å²	73	17%	0.167	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.7	-178.2	-69.3	77.2	0	0	0	111.3	W163 A164 Y183 I475 Y488 W489 P490	W163-W477 HydrophobicContact CD2-CZ2 4.06Å; W163-W477 AromaticContact CE2-CH2 3.93Å; W163-W477 AromaticContact CE2-CZ2 3.54Å; W163-W477 HydrophobicContact CG-CZ2 4.47Å; W163-W477 HydrophobicContact CH2-CH2 4.36Å; W163-W477 HydrophobicContact CH2-CZ2 4.44Å; W163-W477 AromaticContact CZ2-CH2 3.69Å; W163-W477 HydrophobicContact CZ2-CH2 3.69Å; W163-W477 AromaticContact CZ2-CZ2 3.76Å; W163-W477 HydrophobicContact CZ2-CZ2 3.76Å; W163-W477 AromaticContact NE1-CZ2 3.6Å; W163-W477 PolarHBondContact O-NE1 3.18Å; A164-W477 HydrophobicContact CB-CZ2 4.4Å; Y183-W477 AromaticContact CD1-CH2 3.62Å; Y183-W477 HydrophobicContact CD1-CH2 3.62Å; Y183-W477 AromaticContact CD1-CZ3 3.8Å; Y183-W477 HydrophobicContact CD1-CZ3 3.8Å; Y183-W477 HydrophobicContact CD2-CZ3 4.13Å; Y183-W477 AromaticContact CE1-CH2 3.58Å; Y183-W477 HydrophobicContact CE1-CH2 3.58Å; Y183-W477 AromaticContact CE1-CZ3 3.9Å; Y183-W477 HydrophobicContact CE1-CZ3 3.9Å; Y183-W477 HydrophobicContact CE2-CZ3 4.21Å; Y183-W477 HydrophobicContact CG-CH2 4.21Å; Y183-W477 AromaticContact CG-CZ3 3.91Å; Y183-W477 HydrophobicContact CG-CZ3 3.91Å; I475-W477 VanDerWaalsContact O-CD1 3.23Å; W477-Y488 HydrophobicContact CE3-CD1 4.4Å; W477-W489 WeakPolarHBondContact CA-O 3.5Å; W477-W489 VanDerWaalsContact CE3-C 3.44Å; W477-P490 HydrophobicContact CD2-CG 4.38Å; W477-P490 HydrophobicContact CE3-CG 4.22Å; W477-P490 HydrophobicContact CH2-CG 3.77Å; W477-P490 HydrophobicContact CZ2-CG 3.93Å; W477-P490 HydrophobicContact CZ3-CG 3.93Å
478	S	94.3	Very high	90.9	Very high	34 Å²	34	72.7 Å²	72.7	24%	0.238	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	165.2	169.1	-177.7	0	0	0	0	109	Y488 W489	S478-Y488 CarbonylContact O-C 3.34Å; S478-Y488 WeakPolarHBondContact O-CA 3.5Å; S478-W489 PolarHBondContact N-O 3Å; S478-W489 PolarHBondContact O-N 2.88Å; S478-W489 WeakPolarHBondContact OG-CH2 3.48Å; S478-W489 WeakPolarHBondContact OG-CZ2 3.35Å
479	Y	93.9	Very high	91.4	Very high	120 Å²	120	69.2 Å²	69.2	47%	0.471	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.5	-177.7	51.2	-100.8	0	0	0	110.1	Y488 W489	Y479-Y488 VanDerWaalsContact CB-CD2 3.47Å; Y479-Y488 VanDerWaalsContact CB-CE2 3.43Å; Y479-Y488 AromaticContact CD1-CE1 3.86Å; Y479-Y488 HydrophobicContact CD1-CE1 3.86Å; Y479-Y488 HydrophobicContact CD1-CE2 4.23Å; Y479-Y488 AromaticContact CD1-CZ 3.7Å; Y479-Y488 HydrophobicContact CG-CD2 4.47Å; Y479-Y488 HydrophobicContact CG-CE1 4.41Å; Y479-Y488 AromaticContact CG-CE2 3.99Å; Y479-Y488 HydrophobicContact CG-CE2 3.99Å; Y479-Y488 AromaticContact CG-CZ 3.94Å; Y479-W489 VanDerWaalsContact C-CZ3 3.44Å
480	D	94.1	Very high	91.9	Very high	98 Å²	98	66.4 Å²	66.4	52%	0.524	32%	0.317	S	S	.	.	S	Bend	trans	-86	-40.4	166	-66.2	-32	0	0	0	110.1	T487 W489 K500	D480-T487 HydrophobicContact CB-CG2 4.48Å; D480-T487 PolarHBondContact N-O 3.43Å; D480-W489 WeakPolarHBondContact OD1-CH2 3.31Å; D480-W489 WeakPolarHBondContact OD1-CZ3 3.44Å; D480-K500 IonicContact OD1-NZ 3.98Å; D480-K500 PolarHBondContact OD1-NZ 3.15Å; D480-K500 WeakPolarHBondContact OD2-CE 3.37Å; D480-K500 IonicContact OD2-NZ 2.67Å; D480-K500 PolarHBondContact OD2-NZ 3.17Å
481	N	93.8	Very high	92.7	Very high	73 Å²	73	67.5 Å²	67.5	39%	0.39	32%	0.323	S	S	.	.			trans	-129.6	119.3	175.9	-179	-2.6	0	0	0	109.9	L483 D484 T487 Y488	N481-L483 PolarHBondContact O-N 2.93Å; N481-L483 PolarHBondContact OD1-N 3.01Å; N481-D484 HydrophobicContact CB-CB 4.17Å; N481-D484 PolarHBondContact O-N 2.99Å; N481-T487 PolarHBondContact N-OG1 2.69Å; N481-T487 PolarHBondContact O-OG1 3.16Å; N481-T487 VanDerWaalsContact O-OG1 3.14Å; N481-Y488 WeakPolarHBondContact O-CE2 3.42Å
482	Y	91.3	Very high	93.2	Very high	146 Å²	146	65.6 Å²	65.6	57%	0.573	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-19.4	-177.6	81.8	-86.8	0	0	0	113.8	Y488	Y482-Y488 PolarHBondContact O-OH 3.43Å
483	L	92.8	Very high	93.4	Very high	124 Å²	124	64.2 Å²	64.2	65%	0.649	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.9	177	-66.3	174.4	0	0	0	113	N481	N481-L483 PolarHBondContact O-N 2.93Å; N481-L483 PolarHBondContact OD1-N 3.01Å
484	D	93.4	Very high	93.4	Very high	59 Å²	59	65.8 Å²	65.8	32%	0.316	32%	0.322	S	S	.	.			trans	-122	97.5	-173.1	-176	1	0	0	0	111.2	N481 T486 T487 Y488	N481-D484 HydrophobicContact CB-CB 4.17Å; N481-D484 PolarHBondContact O-N 2.99Å; D484-T486 PolarHBondContact O-N 2.87Å; D484-T486 VanDerWaalsContact O-N 3.09Å; D484-T486 VanDerWaalsContact OD1-CB 3.24Å; D484-T486 WeakPolarHBondContact OD1-CB 3.14Å; D484-T486 VanDerWaalsContact OD1-CG2 3.25Å; D484-T486 WeakPolarHBondContact OD1-CG2 3.34Å; D484-T486 PolarHBondContact OD1-N 3.3Å; D484-T486 PolarHBondContact OD1-OG1 2.85Å; D484-T486 PolarHBondContact OD2-OG1 3.19Å; D484-T487 HydrophobicContact CB-CG2 4.2Å; D484-T487 WeakPolarHBondContact O-CB 3.37Å; D484-T487 PolarHBondContact O-N 2.71Å; D484-T487 PolarHBondContact O-OG1 3.19Å; D484-Y488 WeakPolarHBondContact O-CD2 3.5Å
485	Y	93.2	Very high	93.1	Very high	49 Å²	49	64.8 Å²	64.8	19%	0.192	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-64.7	-10	177.8	-78.2	-94.7	0	0	0	114.3	D166 P179 R180 T487 Y488	D166-Y485 PolarHBondContact OD2-OH 3.18Å; P179-Y485 HydrophobicContact CB-CD1 3.77Å; P179-Y485 HydrophobicContact CB-CD2 3.56Å; P179-Y485 HydrophobicContact CB-CE1 3.67Å; P179-Y485 HydrophobicContact CB-CE2 3.46Å; P179-Y485 VanDerWaalsContact CB-CE2 3.46Å; P179-Y485 HydrophobicContact CB-CG 3.69Å; P179-Y485 VanDerWaalsContact CB-CZ 3.5Å; P179-Y485 HydrophobicContact CG-CD1 4.22Å; P179-Y485 HydrophobicContact CG-CE1 3.72Å; P179-Y485 HydrophobicContact CG-CE2 4.12Å; P179-Y485 WeakPolarHBondContact O-CB 3.36Å; R180-Y485 HydrophobicContact CG-CD1 3.67Å; R180-Y485 HydrophobicContact CG-CE1 3.91Å; Y485-T487 PolarHBondContact O-N 3.03Å; Y485-Y488 VanDerWaalsContact CA-CD2 3.49Å; Y485-Y488 AromaticContact CD1-CD1 3.94Å; Y485-Y488 HydrophobicContact CD1-CD1 3.94Å; Y485-Y488 HydrophobicContact CD1-CD2 4.13Å; Y485-Y488 AromaticContact CD1-CE1 3.99Å; Y485-Y488 HydrophobicContact CD1-CE1 3.99Å; Y485-Y488 HydrophobicContact CD1-CE2 4.16Å; Y485-Y488 HydrophobicContact CD1-CG 4.01Å; Y485-Y488 HydrophobicContact CD2-CE2 4.46Å; Y485-Y488 HydrophobicContact CE1-CD1 4.07Å; Y485-Y488 AromaticContact CE1-CE1 3.73Å; Y485-Y488 HydrophobicContact CE1-CE1 3.73Å; Y485-Y488 HydrophobicContact CE1-CE2 4.44Å; Y485-Y488 AromaticContact CE1-CZ 3.94Å; Y485-Y488 HydrophobicContact CG-CD2 4.25Å; Y485-Y488 HydrophobicContact CG-CE2 4.2Å
486	T	90.1	Very high	92.7	Very high	39 Å²	39	69 Å²	69	24%	0.239	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-69.6	-21	168.3	75.4	0	0	0	0	112.2	D182 N186 Q187 D484	D182-T486 HydrophobicContact CB-CG2 4.06Å; N186-T486 WeakPolarHBondContact ND2-CG2 3.5Å; Q187-T486 PolarHBondContact NE2-O 3.25Å; D484-T486 PolarHBondContact O-N 2.87Å; D484-T486 VanDerWaalsContact O-N 3.09Å; D484-T486 VanDerWaalsContact OD1-CB 3.24Å; D484-T486 WeakPolarHBondContact OD1-CB 3.14Å; D484-T486 VanDerWaalsContact OD1-CG2 3.25Å; D484-T486 WeakPolarHBondContact OD1-CG2 3.34Å; D484-T486 PolarHBondContact OD1-N 3.3Å; D484-T486 PolarHBondContact OD1-OG1 2.85Å; D484-T486 PolarHBondContact OD2-OG1 3.19Å
487	T	92.6	Very high	92.5	Very high	27 Å²	27	67.3 Å²	67.3	17%	0.166	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-96.2	4.1	-179.2	73.9	0	0	0	0	113.9	D480 N481 D484 Y485 W489	D480-T487 HydrophobicContact CB-CG2 4.48Å; D480-T487 PolarHBondContact N-O 3.43Å; N481-T487 PolarHBondContact N-OG1 2.69Å; N481-T487 PolarHBondContact O-OG1 3.16Å; N481-T487 VanDerWaalsContact O-OG1 3.14Å; D484-T487 HydrophobicContact CB-CG2 4.2Å; D484-T487 WeakPolarHBondContact O-CB 3.37Å; D484-T487 PolarHBondContact O-N 2.71Å; D484-T487 PolarHBondContact O-OG1 3.19Å; Y485-T487 PolarHBondContact O-N 3.03Å; T487-W489 VanDerWaalsContact O-CZ3 3.25Å; T487-W489 WeakPolarHBondContact O-CZ3 3.18Å
488	Y	94.9	Very high	92.4	Very high	14 Å²	14	68.4 Å²	68.4	6%	0.055	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	152.6	-179.9	-83.4	-124.2	0	0	0	111.3	Y183 W477 S478 Y479 N481 Y482 D484 Y485	Y183-Y488 WeakPolarHBondContact CD2-O 3.21Å; Y183-Y488 WeakPolarHBondContact CE2-O 3.5Å; W477-Y488 HydrophobicContact CE3-CD1 4.4Å; S478-Y488 CarbonylContact O-C 3.34Å; S478-Y488 WeakPolarHBondContact O-CA 3.5Å; Y479-Y488 VanDerWaalsContact CB-CD2 3.47Å; Y479-Y488 VanDerWaalsContact CB-CE2 3.43Å; Y479-Y488 AromaticContact CD1-CE1 3.86Å; Y479-Y488 HydrophobicContact CD1-CE1 3.86Å; Y479-Y488 HydrophobicContact CD1-CE2 4.23Å; Y479-Y488 AromaticContact CD1-CZ 3.7Å; Y479-Y488 HydrophobicContact CG-CD2 4.47Å; Y479-Y488 HydrophobicContact CG-CE1 4.41Å; Y479-Y488 AromaticContact CG-CE2 3.99Å; Y479-Y488 HydrophobicContact CG-CE2 3.99Å; Y479-Y488 AromaticContact CG-CZ 3.94Å; N481-Y488 WeakPolarHBondContact O-CE2 3.42Å; Y482-Y488 PolarHBondContact O-OH 3.43Å; D484-Y488 WeakPolarHBondContact O-CD2 3.5Å; Y485-Y488 VanDerWaalsContact CA-CD2 3.49Å; Y485-Y488 AromaticContact CD1-CD1 3.94Å; Y485-Y488 HydrophobicContact CD1-CD1 3.94Å; Y485-Y488 HydrophobicContact CD1-CD2 4.13Å; Y485-Y488 AromaticContact CD1-CE1 3.99Å; Y485-Y488 HydrophobicContact CD1-CE1 3.99Å; Y485-Y488 HydrophobicContact CD1-CE2 4.16Å; Y485-Y488 HydrophobicContact CD1-CG 4.01Å; Y485-Y488 HydrophobicContact CD2-CE2 4.46Å; Y485-Y488 HydrophobicContact CE1-CD1 4.07Å; Y485-Y488 AromaticContact CE1-CE1 3.73Å; Y485-Y488 HydrophobicContact CE1-CE1 3.73Å; Y485-Y488 HydrophobicContact CE1-CE2 4.44Å; Y485-Y488 AromaticContact CE1-CZ 3.94Å; Y485-Y488 HydrophobicContact CG-CD2 4.25Å; Y485-Y488 HydrophobicContact CG-CE2 4.2Å
489	W	94.9	Very high	92.3	Very high	16 Å²	16	66.8 Å²	66.8	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	150.7	168.1	68	103	0	0	0	112.4	Y183 W477 S478 Y479 D480 T487 K500 L503	Y183-W489 HydrophobicContact CE2-CB 4.49Å; W477-W489 WeakPolarHBondContact CA-O 3.5Å; W477-W489 VanDerWaalsContact CE3-C 3.44Å; S478-W489 PolarHBondContact N-O 3Å; S478-W489 PolarHBondContact O-N 2.88Å; S478-W489 WeakPolarHBondContact OG-CH2 3.48Å; S478-W489 WeakPolarHBondContact OG-CZ2 3.35Å; Y479-W489 VanDerWaalsContact C-CZ3 3.44Å; D480-W489 WeakPolarHBondContact OD1-CH2 3.31Å; D480-W489 WeakPolarHBondContact OD1-CZ3 3.44Å; T487-W489 VanDerWaalsContact O-CZ3 3.25Å; T487-W489 WeakPolarHBondContact O-CZ3 3.18Å; W489-K500 HydrophobicContact CH2-CD 4.04Å; W489-K500 HydrophobicContact CZ2-CB 4.38Å; W489-K500 HydrophobicContact CZ2-CD 4.11Å; W489-K500 HydrophobicContact CZ3-CD 4.29Å; W489-L503 HydrophobicContact CB-CD2 3.47Å; W489-L503 VanDerWaalsContact CB-CD2 3.47Å; W489-L503 HydrophobicContact CG-CD2 4.47Å
490	P	95.4	Very high	92.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	132.6	164.1	-29.3	41	0	0	0	111.9	Y183 V465 I467 I475 K476 W477	Y183-P490 WeakPolarHBondContact OH-CD 3.41Å; V465-P490 HydrophobicContact CG2-CB 3.63Å; V465-P490 WeakPolarHBondContact CG2-O 3.14Å; I467-P490 HydrophobicContact CD1-CB 4.17Å; I475-P490 HydrophobicContact CG2-CB 3.57Å; I475-P490 HydrophobicContact CG2-CG 4.15Å; K476-P490 CarbonylContact O-C 3.53Å; K476-P490 WeakPolarHBondContact O-CA 3.4Å; W477-P490 HydrophobicContact CD2-CG 4.38Å; W477-P490 HydrophobicContact CE3-CG 4.22Å; W477-P490 HydrophobicContact CH2-CG 3.77Å; W477-P490 HydrophobicContact CZ2-CG 3.93Å; W477-P490 HydrophobicContact CZ3-CG 3.93Å
491	T	94.4	Very high	92.1	Very high	25 Å²	25	63.7 Å²	63.7	15%	0.153	33%	0.326	C	S	.	.			trans	-94.3	127.4	-177.3	57.4	0	0	0	0	111.9	K476 N498	K476-T491 VanDerWaalsContact CB-OG1 3.22Å; K476-T491 WeakPolarHBondContact CB-OG1 3.31Å; K476-T491 PolarHBondContact O-N 3.28Å; K476-T491 PolarHBondContact O-OG1 2.86Å; T491-N498 WeakPolarHBondContact CA-O 3.48Å
492	N	93.5	Very high	92	Very high	16 Å²	16	61.4 Å²	61.4	9%	0.086	31%	0.312	C	S	.	.			trans	-119.6	108.8	166.2	-173.6	-11.7	0	0	0	109.8	V465 D466 I467 N494 L495 N498	V465-N492 HydrophobicContact CB-CB 4.4Å; V465-N492 HydrophobicContact CG2-CB 4.47Å; V465-N492 WeakPolarHBondContact O-CB 3.28Å; V465-N492 PolarHBondContact O-ND2 3.49Å; D466-N492 PolarHBondContact O-ND2 2.82Å; I467-N492 HydrophobicContact CD1-CB 4.43Å; I467-N492 HydrophobicContact CG1-CB 4.01Å; N492-N494 PolarHBondContact O-N 3.28Å; N492-N494 WeakPolarHBondContact OD1-CB 3.48Å; N492-N494 PolarHBondContact OD1-N 3.31Å; N492-L495 HydrophobicContact CB-CD1 4.21Å; N492-L495 HydrophobicContact CB-CG 4.29Å; N492-L495 PolarHBondContact O-N 3.23Å; N492-L495 VanDerWaalsContact O-N 3.14Å; N492-N498 PolarHBondContact N-O 2.82Å; N492-N498 CarbonylContact O-C 3.57Å; N492-N498 WeakPolarHBondContact O-CA 3.5Å
493	L	91.2	Very high	92	Very high	128 Å²	128	54.7 Å²	54.7	67%	0.67	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.1	-177	-60.8	176.8	0	0	0	113.3	L495	L493-L495 VanDerWaalsContact C-N 3.28Å
494	N	89.5	Confident	91.9	Very high	151 Å²	151	54.4 Å²	54.4	81%	0.807	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-8	178.7	-60.2	-30.1	0	0	0	112.7	N492	N492-N494 PolarHBondContact O-N 3.28Å; N492-N494 WeakPolarHBondContact OD1-CB 3.48Å; N492-N494 PolarHBondContact OD1-N 3.31Å
495	L	88.9	Confident	91.6	Very high	35 Å²	35	54.1 Å²	54.1	18%	0.183	28%	0.278	C	S	.	.	S	Bend	trans	-106.6	151.5	-179.7	-67.6	-177.3	0	0	0	112.2	V465 D466 N492 L493 L497 N498 R502	V465-L495 WeakPolarHBondContact O-CD1 3.21Å; D466-L495 HydrophobicContact CB-CD1 3.85Å; D466-L495 HydrophobicContact CB-CG 4.48Å; N492-L495 HydrophobicContact CB-CD1 4.21Å; N492-L495 HydrophobicContact CB-CG 4.29Å; N492-L495 PolarHBondContact O-N 3.23Å; N492-L495 VanDerWaalsContact O-N 3.14Å; L493-L495 VanDerWaalsContact C-N 3.28Å; L495-L497 PolarHBondContact O-N 3.01Å; L495-N498 PolarHBondContact O-N 2.99Å; L495-R502 HydrophobicContact CD1-CB 4.41Å
496	P	86.8	Confident	91.3	Very high	97 Å²	97	52 Å²	52	63%	0.63	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-53.5	136.2	171.7	-25	34.1	0	0	0	112	N498 G499	P496-N498 PolarHBondContact O-N 3Å; P496-G499 PolarHBondContact O-N 3.32Å
497	L	89.6	Confident	91.1	Very high	118 Å²	118	53.8 Å²	53.8	62%	0.618	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	52.3	37.2	-176.6	-57.7	173.7	0	0	0	112.7	L495 G499 K500 Q501	L495-L497 PolarHBondContact O-N 3.01Å; L497-G499 PolarHBondContact O-N 2.89Å; L497-G499 VanDerWaalsContact O-N 3.14Å; L497-K500 HydrophobicContact CB-CB 4.09Å; L497-K500 WeakPolarHBondContact O-CB 3.36Å; L497-K500 PolarHBondContact O-N 2.9Å; L497-Q501 HydrophobicContact CD1-CB 4.5Å
498	N	92.4	Very high	90.5	Very high	67 Å²	67	56.1 Å²	56.1	36%	0.358	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	54.6	31.7	179.9	-57.7	-26.5	0	0	0	113.9	T491 N492 L495 P496	T491-N498 WeakPolarHBondContact CA-O 3.48Å; N492-N498 PolarHBondContact N-O 2.82Å; N492-N498 CarbonylContact O-C 3.57Å; N492-N498 WeakPolarHBondContact O-CA 3.5Å; L495-N498 PolarHBondContact O-N 2.99Å; P496-N498 PolarHBondContact O-N 3Å
499	G	91.5	Very high	89.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	93.7	-10.3	-178.8	0	0	0	0	0	115.1	P496 L497 Q501 R502 L503	P496-G499 PolarHBondContact O-N 3.32Å; L497-G499 PolarHBondContact O-N 2.89Å; L497-G499 VanDerWaalsContact O-N 3.14Å; G499-Q501 VanDerWaalsContact C-N 3.3Å; G499-Q501 PolarHBondContact O-N 2.89Å; G499-R502 WeakPolarHBondContact O-CB 3.27Å; G499-R502 PolarHBondContact O-N 2.96Å; G499-R502 VanDerWaalsContact O-N 3.09Å; G499-L503 PolarHBondContact O-N 2.98Å; G499-L503 VanDerWaalsContact O-N 3.11Å
500	K	93	Very high	88.9	Confident	71 Å²	71	56.5 Å²	56.5	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-39	-178.3	-171.3	178.7	-176.5	177.8	0	113	D480 W489 L497 R502 L503 F504	D480-K500 IonicContact OD1-NZ 3.98Å; D480-K500 PolarHBondContact OD1-NZ 3.15Å; D480-K500 WeakPolarHBondContact OD2-CE 3.37Å; D480-K500 IonicContact OD2-NZ 2.67Å; D480-K500 PolarHBondContact OD2-NZ 3.17Å; W489-K500 HydrophobicContact CH2-CD 4.04Å; W489-K500 HydrophobicContact CZ2-CB 4.38Å; W489-K500 HydrophobicContact CZ2-CD 4.11Å; W489-K500 HydrophobicContact CZ3-CD 4.29Å; L497-K500 HydrophobicContact CB-CB 4.09Å; L497-K500 WeakPolarHBondContact O-CB 3.36Å; L497-K500 PolarHBondContact O-N 2.9Å; K500-R502 VanDerWaalsContact C-N 3.32Å; K500-R502 PolarHBondContact O-N 2.59Å; K500-L503 PolarHBondContact O-N 3Å; K500-F504 PolarHBondContact O-N 3.06Å
501	Q	90.9	Very high	87.6	Confident	83 Å²	83	60.1 Å²	60.1	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-40.9	177.6	-176.2	60.6	49.7	0	0	111.9	L497 G499 F504 N505	L497-Q501 HydrophobicContact CD1-CB 4.5Å; G499-Q501 VanDerWaalsContact C-N 3.3Å; G499-Q501 PolarHBondContact O-N 2.89Å; Q501-F504 PolarHBondContact O-N 3.24Å; Q501-N505 PolarHBondContact NE2-OD1 3.43Å; Q501-N505 PolarHBondContact O-N 3.14Å; Q501-N505 PolarHBondContact O-OD1 3.13Å
502	R	90.8	Very high	86.4	Confident	25 Å²	25	64.2 Å²	64.2	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-43.7	178.9	-173.9	174.9	171	141.4	2.3	111	E464 D466 L495 G499 K500 F504 N505 W506	E464-R502 WeakPolarHBondContact O-CD 3.23Å; E464-R502 WeakPolarHBondContact O-CG 3.33Å; E464-R502 PolarHBondContact O-NE 3.07Å; D466-R502 VanDerWaalsContact CB-NH1 3.29Å; D466-R502 IonicContact OD1-CZ 2.8Å; D466-R502 IonicContact OD1-NH1 2.85Å; D466-R502 PolarHBondContact OD1-NH1 2.7Å; D466-R502 IonicContact OD1-NH2 2.68Å; D466-R502 IonicContact OD2-NH1 2.61Å; L495-R502 HydrophobicContact CD1-CB 4.41Å; G499-R502 WeakPolarHBondContact O-CB 3.27Å; G499-R502 PolarHBondContact O-N 2.96Å; G499-R502 VanDerWaalsContact O-N 3.09Å; K500-R502 VanDerWaalsContact C-N 3.32Å; K500-R502 PolarHBondContact O-N 2.59Å; R502-F504 VanDerWaalsContact C-N 3.34Å; R502-F504 PolarHBondContact O-N 2.96Å; R502-N505 WeakPolarHBondContact O-CB 3.5Å; R502-N505 PolarHBondContact O-N 3.25Å; R502-W506 PolarHBondContact O-N 2.69Å
503	L	91.9	Very high	85	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-42.1	175	-172.6	65.8	0	0	0	112.1	Y183 Q187 I188 E464 W489 G499 K500 W506 K507	Y183-L503 HydrophobicContact CE2-CD1 4.41Å; Y183-L503 HydrophobicContact CE2-CD2 3.97Å; Q187-L503 HydrophobicContact CB-CD1 4.01Å; Q187-L503 HydrophobicContact CB-CD2 3.99Å; Q187-L503 HydrophobicContact CB-CG 4.16Å; Q187-L503 HydrophobicContact CG-CD2 4.13Å; I188-L503 HydrophobicContact CD1-CD1 3.72Å; E464-L503 HydrophobicContact CB-CD1 4.36Å; E464-L503 HydrophobicContact CG-CD1 4.27Å; W489-L503 HydrophobicContact CB-CD2 3.47Å; W489-L503 VanDerWaalsContact CB-CD2 3.47Å; W489-L503 HydrophobicContact CG-CD2 4.47Å; G499-L503 PolarHBondContact O-N 2.98Å; G499-L503 VanDerWaalsContact O-N 3.11Å; K500-L503 PolarHBondContact O-N 3Å; L503-W506 WeakPolarHBondContact O-CB 3.43Å; L503-W506 PolarHBondContact O-N 3.42Å; L503-K507 WeakPolarHBondContact O-CB 3.25Å; L503-K507 PolarHBondContact O-N 3.39Å
504	F	90.2	Very high	83.5	Confident	118 Å²	118	59.6 Å²	59.6	52%	0.518	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-44.8	174.1	176.6	-96	0	0	0	112	K500 Q501 R502 W506 K507 L508	K500-F504 PolarHBondContact O-N 3.06Å; Q501-F504 PolarHBondContact O-N 3.24Å; R502-F504 VanDerWaalsContact C-N 3.34Å; R502-F504 PolarHBondContact O-N 2.96Å; F504-W506 VanDerWaalsContact C-N 3.32Å; F504-W506 PolarHBondContact O-N 3.29Å; F504-K507 PolarHBondContact O-N 2.81Å; F504-L508 WeakPolarHBondContact O-CB 3.46Å; F504-L508 PolarHBondContact O-N 3.03Å
505	N	87.4	Confident	81.5	Confident	53 Å²	53	58 Å²	58	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-61.3	-41	176.3	-67.3	-11.6	0	0	0	111.8	Q501 R502 F509	Q501-N505 PolarHBondContact NE2-OD1 3.43Å; Q501-N505 PolarHBondContact O-N 3.14Å; Q501-N505 PolarHBondContact O-OD1 3.13Å; R502-N505 WeakPolarHBondContact O-CB 3.5Å; R502-N505 PolarHBondContact O-N 3.25Å; N505-F509 WeakPolarHBondContact O-CB 3.36Å; N505-F509 PolarHBondContact O-N 3.1Å
506	W	88.5	Confident	79.7	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-49.6	174.3	179.9	-99	0	0	0	111.6	I188 Q447 K448 Y451 Y457 M459 R502 L503 F504 L508 F509 I510	I188-W506 PolarHBondContact O-NE1 2.92Å; Q447-W506 HydrophobicContact CB-CZ3 3.94Å; K448-W506 HydrophobicContact CG-CE3 4.41Å; K448-W506 HydrophobicContact CG-CZ3 4.18Å; Y451-W506 HydrophobicContact CG-CH2 4.42Å; Y457-W506 HydrophobicContact CD1-CH2 4Å; Y457-W506 HydrophobicContact CD1-CZ2 4.37Å; Y457-W506 AromaticContact CE1-CH2 3.65Å; Y457-W506 HydrophobicContact CE1-CH2 3.65Å; Y457-W506 HydrophobicContact CE1-CZ2 4.14Å; M459-W506 HydrophobicContact CE-CZ2 3.92Å; M459-W506 HydrophobicContact SD-CZ2 4.49Å; R502-W506 PolarHBondContact O-N 2.69Å; L503-W506 WeakPolarHBondContact O-CB 3.43Å; L503-W506 PolarHBondContact O-N 3.42Å; F504-W506 VanDerWaalsContact C-N 3.32Å; F504-W506 PolarHBondContact O-N 3.29Å; W506-L508 VanDerWaalsContact C-N 3.33Å; W506-L508 PolarHBondContact O-N 3.13Å; W506-F509 HydrophobicContact CE3-CD1 4.47Å; W506-F509 HydrophobicContact CZ3-CD1 4.41Å; W506-F509 HydrophobicContact CZ3-CE1 4.48Å; W506-F509 WeakPolarHBondContact O-CA 3.33Å; W506-F509 WeakPolarHBondContact O-CB 3.34Å; W506-F509 PolarHBondContact O-N 3.26Å; W506-I510 HydrophobicContact CD2-CG2 4.26Å; W506-I510 HydrophobicContact CZ2-CG2 3.92Å; W506-I510 PolarHBondContact O-N 3.41Å
507	K	84.5	Confident	78	Confident	77 Å²	77	55.5 Å²	55.5	34%	0.335	27%	0.269	S	S	.	.	H	α-helix	trans	-58.5	-42.5	177.6	-175.7	177.1	-178.9	173.5	0	112.5	N186 L503 F504 F509 I510 S511	N186-K507 WeakPolarHBondContact O-CE 3.48Å; L503-K507 WeakPolarHBondContact O-CB 3.25Å; L503-K507 PolarHBondContact O-N 3.39Å; F504-K507 PolarHBondContact O-N 2.81Å; K507-F509 VanDerWaalsContact C-N 3.31Å; K507-F509 PolarHBondContact O-N 3.28Å; K507-I510 VanDerWaalsContact O-CG1 3.24Å; K507-I510 WeakPolarHBondContact O-CG1 3.46Å; K507-S511 WeakPolarHBondContact O-CB 3.38Å; K507-S511 PolarHBondContact O-N 3.49Å; K507-S511 VanDerWaalsContact O-N 3.1Å; K507-S511 PolarHBondContact O-OG 2.65Å
508	L	81.3	Confident	76.2	Confident	76 Å²	76	50.3 Å²	50.3	40%	0.398	24%	0.242	S	C	.	.	H	α-helix	trans	-65.1	-36.3	175.7	-175.6	64.5	0	0	0	111.7	F504 W506 S511 K512	F504-L508 WeakPolarHBondContact O-CB 3.46Å; F504-L508 PolarHBondContact O-N 3.03Å; W506-L508 VanDerWaalsContact C-N 3.33Å; W506-L508 PolarHBondContact O-N 3.13Å; L508-S511 WeakPolarHBondContact CA-OG 3.25Å; L508-S511 PolarHBondContact O-OG 3.02Å; L508-K512 WeakPolarHBondContact O-CG 3.41Å; L508-K512 PolarHBondContact O-N 3.49Å
509	F	80.4	Confident	74	Confident	25 Å²	25	48.4 Å²	48.4	11%	0.11	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-50.6	177.1	172.3	-100.1	0	0	0	112.2	K448 Y451 N505 W506 K507 S511 K512 L513	K448-F509 HydrophobicContact CB-CD1 4.4Å; K448-F509 HydrophobicContact CB-CD2 4.38Å; K448-F509 HydrophobicContact CB-CE1 3.75Å; K448-F509 HydrophobicContact CB-CE2 3.72Å; K448-F509 HydrophobicContact CB-CZ 3.35Å; K448-F509 HydrophobicContact CD-CD1 4.46Å; K448-F509 HydrophobicContact CD-CD2 3.85Å; K448-F509 HydrophobicContact CD-CE2 3.98Å; K448-F509 HydrophobicContact CD-CG 4.08Å; K448-F509 HydrophobicContact CD-CZ 4.33Å; K448-F509 HydrophobicContact CG-CD1 3.79Å; K448-F509 HydrophobicContact CG-CD2 3.95Å; K448-F509 HydrophobicContact CG-CE1 3.65Å; K448-F509 HydrophobicContact CG-CE2 3.8Å; K448-F509 HydrophobicContact CG-CG 3.92Å; K448-F509 HydrophobicContact CG-CZ 3.64Å; K448-F509 WeakPolarHBondContact O-CZ 3.48Å; Y451-F509 HydrophobicContact CD1-CD1 4.48Å; Y451-F509 AromaticContact CD1-CE1 3.66Å; Y451-F509 HydrophobicContact CD1-CE1 3.66Å; Y451-F509 HydrophobicContact CD1-CZ 4.35Å; Y451-F509 HydrophobicContact CE1-CE1 4.48Å; Y451-F509 HydrophobicContact CG-CE1 4.21Å; N505-F509 WeakPolarHBondContact O-CB 3.36Å; N505-F509 PolarHBondContact O-N 3.1Å; W506-F509 HydrophobicContact CE3-CD1 4.47Å; W506-F509 HydrophobicContact CZ3-CD1 4.41Å; W506-F509 HydrophobicContact CZ3-CE1 4.48Å; W506-F509 WeakPolarHBondContact O-CA 3.33Å; W506-F509 WeakPolarHBondContact O-CB 3.34Å; W506-F509 PolarHBondContact O-N 3.26Å; K507-F509 VanDerWaalsContact C-N 3.31Å; K507-F509 PolarHBondContact O-N 3.28Å; F509-S511 PolarHBondContact O-N 2.76Å; F509-K512 PolarHBondContact O-N 2.91Å; F509-L513 HydrophobicContact CD1-CD1 4.09Å; F509-L513 HydrophobicContact CD2-CD1 3.85Å; F509-L513 HydrophobicContact CE1-CD1 3.49Å; F509-L513 VanDerWaalsContact CE1-CD1 3.49Å; F509-L513 HydrophobicContact CE2-CD1 3.21Å; F509-L513 HydrophobicContact CE2-CG 4.27Å; F509-L513 HydrophobicContact CG-CD1 4.26Å; F509-L513 HydrophobicContact CZ-CD1 3.01Å; F509-L513 HydrophobicContact CZ-CG 4.36Å; F509-L513 PolarHBondContact O-N 3.19Å; F509-L513 VanDerWaalsContact O-N 3.12Å
510	I	75.3	Confident	72.1	Confident	14 Å²	14	50.7 Å²	50.7	7%	0.072	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-37	-178.6	63.3	-179.2	0	0	0	112.3	I188 Y451 W506 K507 K512 L513 Y514	I188-I510 VanDerWaalsContact O-CD1 3.28Å; I188-I510 WeakPolarHBondContact O-CD1 3.48Å; Y451-I510 HydrophobicContact CE1-CG2 4.44Å; W506-I510 HydrophobicContact CD2-CG2 4.26Å; W506-I510 HydrophobicContact CZ2-CG2 3.92Å; W506-I510 PolarHBondContact O-N 3.41Å; K507-I510 VanDerWaalsContact O-CG1 3.24Å; K507-I510 WeakPolarHBondContact O-CG1 3.46Å; I510-K512 VanDerWaalsContact C-N 3.27Å; I510-K512 PolarHBondContact O-N 3.04Å; I510-L513 CarbonylContact O-C 3.4Å; I510-L513 PolarHBondContact O-N 3.4Å; I510-Y514 WeakPolarHBondContact O-CB 3.35Å; I510-Y514 PolarHBondContact O-N 2.81Å
511	S	68.5	Low	69.7	Low	76 Å²	76	49.2 Å²	49.2	53%	0.531	24%	0.241	S	C	.	.	H	α-helix	trans	-64.9	-32.2	178.6	52.9	0	0	0	0	112.3	K507 L508 F509	K507-S511 WeakPolarHBondContact O-CB 3.38Å; K507-S511 PolarHBondContact O-N 3.49Å; K507-S511 VanDerWaalsContact O-N 3.1Å; K507-S511 PolarHBondContact O-OG 2.65Å; L508-S511 WeakPolarHBondContact CA-OG 3.25Å; L508-S511 PolarHBondContact O-OG 3.02Å; F509-S511 PolarHBondContact O-N 2.76Å
512	K	67.7	Low	67.2	Low	111 Å²	111	50.2 Å²	50.2	48%	0.483	25%	0.254	S	S	.	.	H	α-helix	trans	-76.9	-30.6	174	-69.8	178.7	178.9	-174.4	0	113.3	L508 F509 I510	L508-K512 WeakPolarHBondContact O-CG 3.41Å; L508-K512 PolarHBondContact O-N 3.49Å; F509-K512 PolarHBondContact O-N 2.91Å; I510-K512 VanDerWaalsContact C-N 3.27Å; I510-K512 PolarHBondContact O-N 3.04Å
513	L	65.6	Low	64.9	Low	17 Å²	17	53.1 Å²	53.1	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-99.2	-3.7	-175.9	-74.2	-178.5	0	0	0	114.9	Y451 F452 F509 I510 Y515 N516	Y451-L513 HydrophobicContact CD1-CD1 4.12Å; Y451-L513 HydrophobicContact CE1-CB 3.95Å; Y451-L513 HydrophobicContact CE1-CD1 4.31Å; F452-L513 HydrophobicContact CD2-CD1 4.12Å; F452-L513 HydrophobicContact CD2-CD2 3.97Å; F452-L513 HydrophobicContact CE2-CD2 4.12Å; F509-L513 HydrophobicContact CD1-CD1 4.09Å; F509-L513 HydrophobicContact CD2-CD1 3.85Å; F509-L513 HydrophobicContact CE1-CD1 3.49Å; F509-L513 VanDerWaalsContact CE1-CD1 3.49Å; F509-L513 HydrophobicContact CE2-CD1 3.21Å; F509-L513 HydrophobicContact CE2-CG 4.27Å; F509-L513 HydrophobicContact CG-CD1 4.26Å; F509-L513 HydrophobicContact CZ-CD1 3.01Å; F509-L513 HydrophobicContact CZ-CG 4.36Å; F509-L513 PolarHBondContact O-N 3.19Å; F509-L513 VanDerWaalsContact O-N 3.12Å; I510-L513 CarbonylContact O-C 3.4Å; I510-L513 PolarHBondContact O-N 3.4Å; L513-Y515 PolarHBondContact O-N 3.04Å; L513-N516 HydrophobicContact CD2-CB 4.14Å; L513-N516 CarbonylContact O-C 3.41Å; L513-N516 PolarHBondContact O-N 3.45Å
514	Y	58.1	Low	62.4	Low	30 Å²	30	61.9 Å²	61.9	12%	0.118	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.8	-173	-162.5	-94.6	0	0	0	113.1	Q242 Y243 N244 I510	Q242-Y514 VanDerWaalsContact O-CE1 3.27Å; Q242-Y514 WeakPolarHBondContact O-CE1 3.47Å; Y243-Y514 WeakPolarHBondContact CA-OH 3.19Å; Y243-Y514 WeakPolarHBondContact CB-OH 3.36Å; Y243-Y514 HydrophobicContact CD1-CD1 4.47Å; Y243-Y514 HydrophobicContact CD1-CD2 4.1Å; Y243-Y514 AromaticContact CD1-CE1 3.89Å; Y243-Y514 HydrophobicContact CD1-CE1 3.89Å; Y243-Y514 AromaticContact CD1-CE2 3.44Å; Y243-Y514 HydrophobicContact CD1-CE2 3.44Å; Y243-Y514 VanDerWaalsContact CD1-CE2 3.44Å; Y243-Y514 AromaticContact CD1-CZ 3.34Å; Y243-Y514 WeakPolarHBondContact CD1-OH 3.38Å; Y243-Y514 HydrophobicContact CE1-CD2 4.32Å; Y243-Y514 AromaticContact CE1-CE2 3.97Å; Y243-Y514 HydrophobicContact CE1-CE2 3.97Å; Y243-Y514 HydrophobicContact CG-CE2 4.44Å; N244-Y514 HydrophobicContact CB-CE1 4.3Å; N244-Y514 PolarHBondContact N-OH 2.84Å; I510-Y514 WeakPolarHBondContact O-CB 3.35Å; I510-Y514 PolarHBondContact O-N 2.81Å
515	Y	48.9	Very low	60.1	Low	118 Å²	118	61.2 Å²	61.2	46%	0.463	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.7	174.9	-58.3	-71	0	0	0	114.5	L143 Q242 L513	L143-Y515 WeakPolarHBondContact CD1-O 3.27Å; Q242-Y515 VanDerWaalsContact CB-OH 3.27Å; Q242-Y515 WeakPolarHBondContact CB-OH 3.28Å; Q242-Y515 PolarHBondContact OE1-OH 2.89Å; L513-Y515 PolarHBondContact O-N 3.04Å
516	N	49.5	Very low	58	Low	60 Å²	60	60.9 Å²	60.9	32%	0.321	30%	0.304	S	S	.	.			trans	-124.7	109	-170.4	-66.8	-44.6	0	0	0	110.5	L513	L513-N516 HydrophobicContact CD2-CB 4.14Å; L513-N516 CarbonylContact O-C 3.41Å; L513-N516 PolarHBondContact O-N 3.45Å
517	S	52.2	Low	55.8	Low	19 Å²	19	66.5 Å²	66.5	13%	0.133	33%	0.334	C	S	.	.			trans	-119.4	157.1	164.4	71.4	0	0	0	0	109.5	L519	S517-L519 PolarHBondContact O-N 3.24Å; S517-L519 VanDerWaalsContact O-N 3.09Å
518	L	50.7	Low	54.1	Low	8 Å²	8	65.2 Å²	65.2	4%	0.042	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.3	-177.7	-166	76.6	0	0	0	111.6	F452 I540 R542	F452-L518 HydrophobicContact CD1-CB 4.01Å; F452-L518 HydrophobicContact CD1-CD1 4.49Å; F452-L518 HydrophobicContact CE1-CB 3.45Å; F452-L518 VanDerWaalsContact CE1-CB 3.45Å; F452-L518 HydrophobicContact CE1-CD1 3.35Å; F452-L518 HydrophobicContact CE1-CD2 4.5Å; F452-L518 HydrophobicContact CE1-CG 3.88Å; F452-L518 HydrophobicContact CE2-CB 4.49Å; F452-L518 HydrophobicContact CZ-CB 3.71Å; F452-L518 HydrophobicContact CZ-CD1 3.64Å; F452-L518 HydrophobicContact CZ-CG 4.26Å; F452-L518 PolarHBondContact O-N 3.3Å; L518-I540 HydrophobicContact CD1-CG2 3.77Å; L518-I540 HydrophobicContact CD2-CG2 3.63Å; L518-I540 HydrophobicContact CG-CG2 4.38Å; L518-R542 HydrophobicContact CD1-CB 4.09Å; L518-R542 HydrophobicContact CG-CB 4.47Å; L518-R542 WeakPolarHBondContact O-CD 3.27Å; L518-R542 PolarHBondContact O-NE 3.48Å; L518-R542 PolarHBondContact O-NH1 2.69Å
519	L	47.9	Very low	52.3	Low	28 Å²	28	66.8 Å²	66.8	15%	0.147	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	43.7	-157.9	-66	-178.4	0	0	0	116.9	P454 S517 T521 N526 R542	P454-L519 HydrophobicContact CB-CB 3.93Å; P454-L519 HydrophobicContact CB-CD1 4.05Å; P454-L519 HydrophobicContact CB-CG 4.45Å; P454-L519 HydrophobicContact CG-CB 3.67Å; P454-L519 HydrophobicContact CG-CD1 3.03Å; P454-L519 HydrophobicContact CG-CG 3.64Å; S517-L519 PolarHBondContact O-N 3.24Å; S517-L519 VanDerWaalsContact O-N 3.09Å; L519-T521 PolarHBondContact O-N 3.13Å; L519-N526 WeakPolarHBondContact CD1-ND2 3.33Å; L519-N526 VanDerWaalsContact CD2-ND2 3.33Å; L519-N526 WeakPolarHBondContact CD2-ND2 3.22Å; L519-N526 VanDerWaalsContact CD2-OD1 3.26Å; L519-N526 WeakPolarHBondContact CD2-OD1 3.41Å; L519-R542 HydrophobicContact CD2-CG 4.34Å; L519-R542 VanDerWaalsContact CD2-NE 3.32Å
520	N	49.9	Very low	50.8	Low	48 Å²	48	69.7 Å²	69.7	26%	0.257	35%	0.351	S	S	.	.	S	Bend	trans	-70.2	31.1	166.3	-141.9	9.9	0	0	0	113.8	L143 P144	L143-N520 HydrophobicContact CD2-CB 3.96Å; P144-N520 PolarHBondContact O-ND2 2.98Å; P144-N520 PolarHBondContact O-OD1 3.41Å
521	T	42.7	Very low	49.5	Very low	40 Å²	40	72.9 Å²	72.9	25%	0.245	37%	0.368	C	S	.	.	S	Bend	trans	-137.9	156.3	168.8	87.9	0	0	0	0	111.2	L519 R542 Y544	L519-T521 PolarHBondContact O-N 3.13Å; T521-R542 VanDerWaalsContact CB-NH2 3.3Å; T521-R542 VanDerWaalsContact CG2-NH2 3.35Å; T521-R542 PolarHBondContact OG1-NH2 3.14Å; T521-Y544 HydrophobicContact CG2-CD2 4.38Å; T521-Y544 HydrophobicContact CG2-CE2 3.98Å
522	P	38.3	Very low	48.4	Very low	103 Å²	103	75.4 Å²	75.4	67%	0.669	38%	0.375	S	S	*	.			trans	-57.5	145.5	-175.9	-22.9	32.5	0	0	0	114.9	K524	P522-K524 PolarHBondContact O-N 2.94Å
523	I	42.5	Very low	47.5	Very low	86 Å²	86	74.3 Å²	74.3	44%	0.441	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-54.2	-20.7	-175.9	-84.1	163.7	0	0	0	116.1	L424 F525 N526	L424-I523 VanDerWaalsContact O-CD1 3.31Å; L424-I523 WeakPolarHBondContact O-CD1 3.45Å; I523-F525 PolarHBondContact O-N 3.1Å; I523-N526 PolarHBondContact O-N 3.21Å
524	K	41.3	Very low	46.7	Very low	188 Å²	188	81.8 Å²	81.8	82%	0.817	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-60.9	-9.1	-169.2	-77.7	-172.3	176.5	-178.3	0	115.8	P522	P522-K524 PolarHBondContact O-N 2.94Å
525	F	41.1	Very low	46.1	Very low	104 Å²	104	88.9 Å²	88.9	46%	0.456	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-126.9	18.2	-176.7	-58.3	-71.8	0	0	0	114.4	I523	I523-F525 PolarHBondContact O-N 3.1Å
526	N	42.4	Very low	46.1	Very low	47 Å²	47	88.9 Å²	88.9	25%	0.251	45%	0.45	S	S	.	.			trans	-94.5	115.4	-176.6	-62.6	-19.5	0	0	0	111.1	L519 I523	L519-N526 WeakPolarHBondContact CD1-ND2 3.33Å; L519-N526 VanDerWaalsContact CD2-ND2 3.33Å; L519-N526 WeakPolarHBondContact CD2-ND2 3.22Å; L519-N526 VanDerWaalsContact CD2-OD1 3.26Å; L519-N526 WeakPolarHBondContact CD2-OD1 3.41Å; I523-N526 PolarHBondContact O-N 3.21Å
527	N	43.9	Very low	46.1	Very low	121 Å²	121	87.7 Å²	87.7	65%	0.647	44%	0.444	S	S	*	.			trans	-112.8	148.9	160.2	-71.1	-15.1	0	0	0	108.7	Y541	N527-Y541 VanDerWaalsContact C-CZ 3.41Å; N527-Y541 HydrophobicContact CB-CE2 4.28Å; N527-Y541 WeakPolarHBondContact CB-OH 3.47Å; N527-Y541 WeakPolarHBondContact O-CE2 3.43Å; N527-Y541 PolarHBondContact O-OH 3.4Å
528	L	48.2	Very low	46	Very low	51 Å²	51	87.9 Å²	87.9	27%	0.267	44%	0.442	S	S	.	.			trans	-113.6	129.4	169.4	-78.1	156.6	0	0	0	107.2	I415 M419 I540 Y541	I415-L528 HydrophobicContact CG2-CD1 4.27Å; M419-L528 HydrophobicContact CG-CD1 4.34Å; L528-I540 HydrophobicContact CD2-CB 4.48Å; L528-I540 HydrophobicContact CD2-CG1 4.39Å; L528-I540 HydrophobicContact CD2-CG2 3.81Å; L528-Y541 PolarHBondContact N-OH 3.19Å
529	I	43.6	Very low	45.9	Very low	108 Å²	108	88.4 Å²	88.4	55%	0.554	45%	0.445	S	S	*	.			trans	-128.5	132.8	172.7	-59.4	149	0	0	0	105.2	Y541	I529-Y541 HydrophobicContact CB-CD1 3.67Å; I529-Y541 HydrophobicContact CB-CE1 2.91Å; I529-Y541 HydrophobicContact CD1-CD1 4.49Å; I529-Y541 HydrophobicContact CD1-CE1 3.33Å; I529-Y541 WeakPolarHBondContact CD1-OH 3.44Å; I529-Y541 HydrophobicContact CG1-CD1 4.3Å; I529-Y541 HydrophobicContact CG1-CE1 3.13Å; I529-Y541 WeakPolarHBondContact CG1-OH 3.39Å; I529-Y541 HydrophobicContact CG2-CE1 4.32Å; I529-Y541 PolarHBondContact N-OH 3.38Å; I529-Y541 VanDerWaalsContact O-CD1 3.24Å; I529-Y541 WeakPolarHBondContact O-CD1 3.25Å
530	K	48	Very low	46.1	Very low	86 Å²	86	87.1 Å²	87.1	37%	0.374	44%	0.439	S	S	.	.			trans	-80.1	122.4	168.1	-178.5	179.4	178.4	-178.6	0	108.5	D409 N532	D409-K530 IonicContact OD1-NZ 3.58Å; D409-K530 PolarHBondContact OD1-NZ 3.29Å; D409-K530 IonicContact OD2-NZ 3.96Å; K530-N532 VanDerWaalsContact CE-OD1 3.3Å; K530-N532 WeakPolarHBondContact CE-OD1 3.2Å; K530-N532 PolarHBondContact O-N 3.4Å
531	I	49.4	Very low	46	Very low	82 Å²	82	86.4 Å²	86.4	42%	0.421	43%	0.433	S	S	.	.			trans	-83.4	111	163.9	-57	176.4	0	0	0	105.8	N533 I539	I531-N533 PolarHBondContact O-N 3.46Å; I531-N533 VanDerWaalsContact O-N 3.1Å; I531-I539 HydrophobicContact CB-CD1 3.92Å; I531-I539 HydrophobicContact CD1-CD1 4.44Å; I531-I539 HydrophobicContact CD1-CG2 4.28Å
532	N	45.6	Very low	46.1	Very low	129 Å²	129	85.5 Å²	85.5	69%	0.69	43%	0.425	S	S	*	.			trans	-67.3	107	175	-105.3	2.8	0	0	0	108.8	K530	K530-N532 VanDerWaalsContact CE-OD1 3.3Å; K530-N532 WeakPolarHBondContact CE-OD1 3.2Å; K530-N532 PolarHBondContact O-N 3.4Å
533	N	48	Very low	46.3	Very low	88 Å²	88	85.2 Å²	85.2	47%	0.471	42%	0.417	S	S	.	.			trans	-117.6	149	162.1	-80	-8.2	0	0	0	108.3	I531 Y535	I531-N533 PolarHBondContact O-N 3.46Å; I531-N533 VanDerWaalsContact O-N 3.1Å; N533-Y535 PolarHBondContact O-N 2.98Å; N533-Y535 VanDerWaalsContact O-O 3.11Å
534	N	49.1	Very low	46.3	Very low	173 Å²	173	85.5 Å²	85.5	93%	0.925	41%	0.413	S	S	*	.	S	Bend	trans	-65.7	18.5	-178.8	-72.7	-13.2	0	0	0	115
535	Y	46	Very low	46.4	Very low	179 Å²	179	81.2 Å²	81.2	70%	0.702	40%	0.399	S	S	*	.	S	Bend	trans	-123.7	155.9	-177.7	-64.5	-76.9	0	0	0	108	N533 L537	N533-Y535 PolarHBondContact O-N 2.98Å; N533-Y535 VanDerWaalsContact O-O 3.11Å; Y535-L537 PolarHBondContact O-N 3.04Å
536	N	48.5	Very low	46.7	Very low	118 Å²	118	83.4 Å²	83.4	63%	0.631	41%	0.408	S	S	*	.			trans	-68.2	39.6	176.7	-76.8	-22.6	0	0	0	113.2	F538	N536-F538 PolarHBondContact O-N 3.2Å
537	L	49.8	Very low	46.9	Very low	36 Å²	36	88.9 Å²	88.9	19%	0.188	43%	0.433	C	S	.	.			trans	-81.7	112.4	-176.9	-91.2	161.6	0	0	0	110.4	Y535 V556 F557	Y535-L537 PolarHBondContact O-N 3.04Å; L537-V556 HydrophobicContact CD2-CB 3.94Å; L537-V556 HydrophobicContact CD2-CG1 3.07Å; L537-V556 HydrophobicContact CD2-CG2 4.11Å; L537-F557 WeakPolarHBondContact CA-O 3.28Å
538	F	48.2	Very low	46.7	Very low	22 Å²	22	87.8 Å²	87.8	10%	0.096	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.4	167.5	-172.3	-112.4	0	0	0	108.9	H412 I415 L449 N536 I540 F557	H412-F538 HydrophobicContact CB-CE2 3.93Å; I415-F538 HydrophobicContact CD1-CE1 3.95Å; I415-F538 HydrophobicContact CD1-CZ 3.63Å; L449-F538 HydrophobicContact CD1-CE1 4.09Å; L449-F538 HydrophobicContact CD2-CD1 4.05Å; L449-F538 HydrophobicContact CD2-CE1 3.72Å; N536-F538 PolarHBondContact O-N 3.2Å; F538-I540 HydrophobicContact CD1-CD1 4.45Å; F538-I540 HydrophobicContact CD1-CG1 4.14Å; F538-I540 HydrophobicContact CE1-CD1 3.64Å; F538-I540 HydrophobicContact CE1-CG1 3.5Å; F538-I540 HydrophobicContact CZ-CD1 4.35Å; F538-I540 HydrophobicContact CZ-CG1 4.03Å; F538-F557 HydrophobicContact CB-CB 4.4Å; F538-F557 HydrophobicContact CB-CD2 4.23Å; F538-F557 AromaticContact CD1-CD2 3.75Å; F538-F557 HydrophobicContact CD1-CD2 3.75Å; F538-F557 HydrophobicContact CD1-CE2 4.02Å; F538-F557 HydrophobicContact CG-CD2 4.49Å; F538-F557 PolarHBondContact N-O 3.11Å; F538-F557 PolarHBondContact O-N 2.88Å
539	I	50.2	Low	46.2	Very low	20 Å²	20	93 Å²	93	10%	0.103	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.7	-179.5	-61.3	167.4	0	0	0	109.2	I531 I555 V556	I531-I539 HydrophobicContact CB-CD1 3.92Å; I531-I539 HydrophobicContact CD1-CD1 4.44Å; I531-I539 HydrophobicContact CD1-CG2 4.28Å; I539-I555 WeakPolarHBondContact CA-O 3.34Å; I539-V556 HydrophobicContact CG1-CG2 4.1Å
540	I	50.6	Low	46	Very low	1 Å²	1	93.3 Å²	93.3	1%	0.005	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.2	165.2	-63.6	178.2	0	0	0	107.9	L449 L453 L518 L528 F538 I555	L449-I540 HydrophobicContact CD1-CD1 3.37Å; L453-I540 HydrophobicContact CD2-CD1 4.35Å; L518-I540 HydrophobicContact CD1-CG2 3.77Å; L518-I540 HydrophobicContact CD2-CG2 3.63Å; L518-I540 HydrophobicContact CG-CG2 4.38Å; L528-I540 HydrophobicContact CD2-CB 4.48Å; L528-I540 HydrophobicContact CD2-CG1 4.39Å; L528-I540 HydrophobicContact CD2-CG2 3.81Å; F538-I540 HydrophobicContact CD1-CD1 4.45Å; F538-I540 HydrophobicContact CD1-CG1 4.14Å; F538-I540 HydrophobicContact CE1-CD1 3.64Å; F538-I540 HydrophobicContact CE1-CG1 3.5Å; F538-I540 HydrophobicContact CZ-CD1 4.35Å; F538-I540 HydrophobicContact CZ-CG1 4.03Å; I540-I555 PolarHBondContact N-O 3.48Å
541	Y	48.5	Very low	45.8	Very low	33 Å²	33	94.2 Å²	94.2	13%	0.129	45%	0.453	C	S	.	.			trans	-112	158.7	164	81.5	-106.5	0	0	0	110.8	N527 L528 I529 L543	N527-Y541 VanDerWaalsContact C-CZ 3.41Å; N527-Y541 HydrophobicContact CB-CE2 4.28Å; N527-Y541 WeakPolarHBondContact CB-OH 3.47Å; N527-Y541 WeakPolarHBondContact O-CE2 3.43Å; N527-Y541 PolarHBondContact O-OH 3.4Å; L528-Y541 PolarHBondContact N-OH 3.19Å; I529-Y541 HydrophobicContact CB-CD1 3.67Å; I529-Y541 HydrophobicContact CB-CE1 2.91Å; I529-Y541 HydrophobicContact CD1-CD1 4.49Å; I529-Y541 HydrophobicContact CD1-CE1 3.33Å; I529-Y541 WeakPolarHBondContact CD1-OH 3.44Å; I529-Y541 HydrophobicContact CG1-CD1 4.3Å; I529-Y541 HydrophobicContact CG1-CE1 3.13Å; I529-Y541 WeakPolarHBondContact CG1-OH 3.39Å; I529-Y541 HydrophobicContact CG2-CE1 4.32Å; I529-Y541 PolarHBondContact N-OH 3.38Å; I529-Y541 VanDerWaalsContact O-CD1 3.24Å; I529-Y541 WeakPolarHBondContact O-CD1 3.25Å; Y541-L543 HydrophobicContact CD2-CB 4.3Å; Y541-L543 HydrophobicContact CE2-CB 4.09Å
542	R	44.8	Very low	45.4	Very low	21 Å²	21	95.3 Å²	95.3	8%	0.079	46%	0.458	C	S	.	.			trans	-130.1	130.3	162.7	-178.9	-172.3	-170.1	-174	13.1	110.1	L518 L519 T521	L518-R542 HydrophobicContact CD1-CB 4.09Å; L518-R542 HydrophobicContact CG-CB 4.47Å; L518-R542 WeakPolarHBondContact O-CD 3.27Å; L518-R542 PolarHBondContact O-NE 3.48Å; L518-R542 PolarHBondContact O-NH1 2.69Å; L519-R542 HydrophobicContact CD2-CG 4.34Å; L519-R542 VanDerWaalsContact CD2-NE 3.32Å; T521-R542 VanDerWaalsContact CB-NH2 3.3Å; T521-R542 VanDerWaalsContact CG2-NH2 3.35Å; T521-R542 PolarHBondContact OG1-NH2 3.14Å
543	L	43.3	Very low	45.5	Very low	97 Å²	97	91.9 Å²	91.9	51%	0.508	44%	0.436	S	S	.	.			trans	-108.8	102.4	174.6	-160.7	144.8	0	0	0	108.3	Y541 N545	Y541-L543 HydrophobicContact CD2-CB 4.3Å; Y541-L543 HydrophobicContact CE2-CB 4.09Å; L543-N545 HydrophobicContact CD2-CB 4.19Å
544	Y	42.5	Very low	45.5	Very low	91 Å²	91	94.3 Å²	94.3	36%	0.357	44%	0.443	S	S	.	.			trans	-92	112.8	174.8	-176.8	-97.8	0	0	0	109.2	T521 K546	T521-Y544 HydrophobicContact CG2-CD2 4.38Å; T521-Y544 HydrophobicContact CG2-CE2 3.98Å; Y544-K546 HydrophobicContact CE1-CB 4.15Å
545	N	43	Very low	45.5	Very low	98 Å²	98	87.1 Å²	87.1	52%	0.524	40%	0.404	S	S	.	.			trans	-109.3	103.8	178.9	-163	-0.1	0	0	0	110.2	L543	L543-N545 HydrophobicContact CD2-CB 4.19Å
546	K	46.6	Very low	45.4	Very low	150 Å²	150	81 Å²	81	65%	0.652	39%	0.385	S	S	*	.	S	Bend	trans	-150.9	-12.6	157.8	-126.7	-178.5	-178.4	-173.4	0	117.2	Y544	Y544-K546 HydrophobicContact CE1-CB 4.15Å
547	Q	47.5	Very low	45.4	Very low	163 Å²	163	76.5 Å²	76.5	76%	0.762	36%	0.36	S	S	*	.	S	Bend	trans	-179.4	164.8	173.9	-87	-117.8	-16.9	0	0	109.6	F549	Q547-F549 VanDerWaalsContact C-N 3.27Å; Q547-F549 PolarHBondContact O-N 2.76Å
548	P	39.2	Very low	45	Very low	97 Å²	97	81.4 Å²	81.4	63%	0.63	38%	0.382	S	S	*	.	S	Bend	trans	-72.4	9.5	-141.7	29	-34.7	0	0	0	118.2	H550	P548-H550 PolarHBondContact O-N 2.9Å
549	F	39	Very low	44.9	Very low	160 Å²	160	84.4 Å²	84.4	70%	0.702	40%	0.396	S	S	*	.			trans	-95	74.3	171.6	-59.1	-74.6	0	0	0	110.1	Q547 R551	Q547-F549 VanDerWaalsContact C-N 3.27Å; Q547-F549 PolarHBondContact O-N 2.76Å; F549-R551 PolarHBondContact O-N 3.48Å
550	H	39.2	Very low	44.6	Very low	116 Å²	116	87.7 Å²	87.7	54%	0.537	41%	0.412	S	S	.	.			trans	-60.4	107.6	169.8	-69.2	95.9	0	0	0	108.9	P548	P548-H550 PolarHBondContact O-N 2.9Å
551	R	43.1	Very low	44.3	Very low	105 Å²	105	92.6 Å²	92.6	40%	0.396	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-94.2	118.8	172.3	-70.9	-176.9	-179.2	179.3	-2.1	109.1	N139 P141 F549 Y553	N139-R551 PolarHBondContact O-NH2 3.12Å; N139-R551 VanDerWaalsContact O-NH2 3.09Å; P141-R551 VanDerWaalsContact CG-NH1 3.26Å; F549-R551 PolarHBondContact O-N 3.48Å; R551-Y553 HydrophobicContact CB-CE2 4.31Å
552	I	41.3	Very low	44	Very low	105 Å²	105	96.1 Å²	96.1	54%	0.538	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-100.4	123.8	178.9	-53.3	170	0	0	0	106.9	F554	I552-F554 HydrophobicContact CB-CE2 4.02Å; I552-F554 HydrophobicContact CB-CZ 4.39Å; I552-F554 HydrophobicContact CG2-CD1 4.4Å; I552-F554 HydrophobicContact CG2-CD2 3.87Å; I552-F554 HydrophobicContact CG2-CE1 3.97Å; I552-F554 HydrophobicContact CG2-CE2 3.38Å; I552-F554 HydrophobicContact CG2-CG 4.36Å; I552-F554 HydrophobicContact CG2-CZ 3.44Å; I552-F554 VanDerWaalsContact CG2-CZ 3.44Å
553	Y	48.2	Very low	44	Very low	57 Å²	57	100.8 Å²	100.8	22%	0.224	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-102.6	118.8	167.3	-64.6	-85.5	0	0	0	107.3	R551	R551-Y553 HydrophobicContact CB-CE2 4.31Å
554	F	46.3	Very low	44	Very low	139 Å²	139	101 Å²	101	61%	0.61	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-96.1	120	167.6	-61.2	-86	0	0	0	106.9	I552	I552-F554 HydrophobicContact CB-CE2 4.02Å; I552-F554 HydrophobicContact CB-CZ 4.39Å; I552-F554 HydrophobicContact CG2-CD1 4.4Å; I552-F554 HydrophobicContact CG2-CD2 3.87Å; I552-F554 HydrophobicContact CG2-CE1 3.97Å; I552-F554 HydrophobicContact CG2-CE2 3.38Å; I552-F554 HydrophobicContact CG2-CG 4.36Å; I552-F554 HydrophobicContact CG2-CZ 3.44Å; I552-F554 VanDerWaalsContact CG2-CZ 3.44Å
555	I	50.8	Low	44.1	Very low	21 Å²	21	101.7 Å²	101.7	11%	0.108	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.7	154.1	-52.2	-158.2	0	0	0	107.9	F452 I539 I540 F557	F452-I555 HydrophobicContact CB-CD1 4.14Å; F452-I555 HydrophobicContact CD1-CD1 3.11Å; F452-I555 HydrophobicContact CD1-CG1 4.14Å; F452-I555 HydrophobicContact CD2-CD1 3.59Å; F452-I555 HydrophobicContact CE1-CD1 3.08Å; F452-I555 HydrophobicContact CE1-CG1 3.68Å; F452-I555 HydrophobicContact CE2-CD1 3.64Å; F452-I555 HydrophobicContact CG-CD1 3.32Å; F452-I555 HydrophobicContact CZ-CD1 3.38Å; F452-I555 HydrophobicContact CZ-CG1 3.93Å; I539-I555 WeakPolarHBondContact CA-O 3.34Å; I540-I555 PolarHBondContact N-O 3.48Å; I555-F557 HydrophobicContact CB-CE2 3.96Å; I555-F557 HydrophobicContact CB-CZ 4.27Å; I555-F557 HydrophobicContact CG2-CD1 4.08Å; I555-F557 HydrophobicContact CG2-CD2 3.71Å; I555-F557 HydrophobicContact CG2-CE1 3.68Å; I555-F557 HydrophobicContact CG2-CE2 3.22Å; I555-F557 HydrophobicContact CG2-CG 4.16Å; I555-F557 HydrophobicContact CG2-CZ 3.25Å
556	V	43.9	Very low	44.2	Very low	52 Å²	52	102 Å²	102	32%	0.315	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	110.3	173.5	154.3	0	0	0	0	105.1	M1 L537 I539	M1-V556 HydrophobicContact SD-CG1 4.44Å; L537-V556 HydrophobicContact CD2-CB 3.94Å; L537-V556 HydrophobicContact CD2-CG1 3.07Å; L537-V556 HydrophobicContact CD2-CG2 4.11Å; I539-V556 HydrophobicContact CG1-CG2 4.1Å
557	F	48.3	Very low	44	Very low	22 Å²	22	98 Å²	98	10%	0.096	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.1	166	-59.7	-78.4	0	0	0	108	T445 K448 L449 L537 F538 I555	T445-F557 HydrophobicContact CG2-CB 3.51Å; T445-F557 HydrophobicContact CG2-CD1 3.28Å; T445-F557 HydrophobicContact CG2-CE1 4.19Å; T445-F557 HydrophobicContact CG2-CG 3.66Å; K448-F557 HydrophobicContact CB-CE1 4.34Å; L449-F557 HydrophobicContact CB-CE1 4.04Å; L449-F557 HydrophobicContact CB-CE2 4.04Å; L449-F557 HydrophobicContact CB-CZ 3.49Å; L449-F557 VanDerWaalsContact CB-CZ 3.49Å; L449-F557 HydrophobicContact CD1-CE2 3.7Å; L449-F557 HydrophobicContact CD1-CZ 3.81Å; L449-F557 HydrophobicContact CD2-CE2 4.35Å; L449-F557 HydrophobicContact CG-CE2 4.23Å; L449-F557 HydrophobicContact CG-CZ 4.13Å; L537-F557 WeakPolarHBondContact CA-O 3.28Å; F538-F557 HydrophobicContact CB-CB 4.4Å; F538-F557 HydrophobicContact CB-CD2 4.23Å; F538-F557 AromaticContact CD1-CD2 3.75Å; F538-F557 HydrophobicContact CD1-CD2 3.75Å; F538-F557 HydrophobicContact CD1-CE2 4.02Å; F538-F557 HydrophobicContact CG-CD2 4.49Å; F538-F557 PolarHBondContact N-O 3.11Å; F538-F557 PolarHBondContact O-N 2.88Å; I555-F557 HydrophobicContact CB-CE2 3.96Å; I555-F557 HydrophobicContact CB-CZ 4.27Å; I555-F557 HydrophobicContact CG2-CD1 4.08Å; I555-F557 HydrophobicContact CG2-CD2 3.71Å; I555-F557 HydrophobicContact CG2-CE1 3.68Å; I555-F557 HydrophobicContact CG2-CE2 3.22Å; I555-F557 HydrophobicContact CG2-CG 4.16Å; I555-F557 HydrophobicContact CG2-CZ 3.25Å
558	E	41.5	Very low	43.7	Very low	139 Å²	139	92.1 Å²	92.1	65%	0.65	44%	0.437	S	S	*	.			trans	-83.8	0	169.8	-98.4	178.4	163.4	0	0	110.7	M1	M1-E558 WeakPolarHBondContact CA-OE2 3.31Å; M1-E558 HydrophobicContact CB-CG 4.33Å; M1-E558 PolarHBondContact N-OE2 3.26Å

Retrieved 558 of 558 residues in 149.3 ms (Link to these results)

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