A0A3Q0KPB9_SCHMA Loading...

Cell polarity protein

AlphaFold DB , UniProt , Accession A0A3Q0KPB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 614 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	35.8	Very low	39.1	Very low	236 Å²	236	144.8 Å²	144.8	100%	1.163	78%	0.781	S	S	*	*				0	141.4	0	-73.5	166.7	165.8	0	0	107.9
2	N	39.3	Very low	38.5	Very low	149 Å²	149	145.8 Å²	145.8	80%	0.797	79%	0.785	S	S	*	*			trans	51.9	132.3	152.6	-64.2	19.7	0	0	0	121.2
3	V	38.7	Very low	38.5	Very low	96 Å²	96	144.3 Å²	144.3	58%	0.582	79%	0.793	S	S	*	*			cis	-162.5	163.7	-30	-129.7	0	0	0	0	109.3
4	F	41.1	Very low	38.2	Very low	163 Å²	163	146.9 Å²	146.9	72%	0.715	79%	0.793	S	S	*	*			trans	67.3	148.8	154.6	-57.8	-38.3	0	0	0	118.8
5	H	41	Very low	38.1	Very low	162 Å²	162	148.7 Å²	148.7	75%	0.75	79%	0.794	S	S	*	*			cis	-141.2	-178.1	-6.2	-117.3	-38.5	0	0	0	111.2
6	S	36.4	Very low	38.3	Very low	109 Å²	109	149.2 Å²	149.2	76%	0.762	79%	0.794	S	S	*	*			trans	-148.6	-173.9	-164.9	-48.5	0	0	0	0	112.9
7	S	39.1	Very low	38	Very low	106 Å²	106	149.9 Å²	149.9	74%	0.741	80%	0.797	S	S	*	*			trans	88.9	154.1	174.6	79.1	0	0	0	0	116.3
8	N	35.9	Very low	38.1	Very low	149 Å²	149	147 Å²	147	80%	0.797	79%	0.788	S	S	*	*			cis	160.1	175.9	-34.7	-95.9	-10.3	0	0	0	107.7
9	F	38.1	Very low	38	Very low	193 Å²	193	145.5 Å²	145.5	85%	0.846	79%	0.785	S	S	*	*			trans	85.6	145	178.6	-69.4	-98.4	0	0	0	116.6
10	V	40.9	Very low	37.9	Very low	127 Å²	127	144.5 Å²	144.5	77%	0.77	78%	0.784	S	S	*	*			cis	-172.6	158.5	-34.5	119.2	0	0	0	0	108.2
11	P	43.2	Very low	38	Very low	103 Å²	103	142.6 Å²	142.6	67%	0.669	78%	0.782	S	S	*	*			trans	-113.7	176.2	-161.3	41.8	-35.6	0	0	0	118.4
12	N	32.9	Very low	38.2	Very low	156 Å²	156	138.5 Å²	138.5	83%	0.834	76%	0.764	S	S	*	*			trans	81.9	130.4	156.7	-72.8	-15.7	0	0	0	122.4
13	S	37.9	Very low	38.2	Very low	127 Å²	127	139.1 Å²	139.1	89%	0.888	77%	0.767	S	S	*	*			trans	-159.3	171.7	146.6	-88.1	0	0	0	0	111.7
14	K	35	Very low	38.1	Very low	181 Å²	181	139.3 Å²	139.3	79%	0.787	77%	0.77	S	S	*	*			trans	-126.8	176	-155.8	-66.1	177.6	176	177.7	0	115.2
15	H	35.8	Very low	37.7	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.806	77%	0.774	S	S	*	*			trans	78.9	154.2	169.5	-55.2	-81.1	0	0	0	114.1
16	I	41.9	Very low	37.4	Very low	156 Å²	156	138.9 Å²	138.9	80%	0.8	78%	0.78	S	S	*	*			cis	-140.7	157.5	30.6	-65.6	161.9	0	0	0	112.5
17	L	33	Very low	37.2	Very low	161 Å²	161	136.7 Å²	136.7	84%	0.843	77%	0.774	S	S	*	*			trans	-136.3	155.3	158.6	-118.3	106.2	0	0	0	107.1
18	P	38.8	Very low	37	Very low	98 Å²	98	137.8 Å²	137.8	64%	0.636	78%	0.777	S	S	*	*				-161.3	-170.8	80.9	41	-17.9	0	0	0	118
19	T	36.3	Very low	36.8	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.724	78%	0.779	S	S	*	*			trans	65.8	150	148.9	45.8	0	0	0	0	122.3
20	T	36.1	Very low	36.2	Very low	126 Å²	126	135.8 Å²	135.8	77%	0.773	78%	0.78	S	S	*	*			cis	-174.8	136.7	-28.1	23.3	0	0	0	0	110.2
21	S	40.7	Very low	35.6	Very low	105 Å²	105	135.9 Å²	135.9	73%	0.734	79%	0.785	S	S	*	*			trans	176.5	121.9	152	45.6	0	0	0	0	109.8
22	D	39	Very low	34.8	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	79%	0.794	S	S	*	*				74.3	128.5	84.6	-62	-42.1	0	0	0	113.8
23	L	39.5	Very low	34.7	Very low	162 Å²	162	136.7 Å²	136.7	85%	0.848	79%	0.791	S	S	*	*			cis	-146.3	174.1	10.1	-93.5	137.4	0	0	0	112
24	P	36.9	Very low	34.3	Very low	101 Å²	101	137.9 Å²	137.9	66%	0.656	79%	0.787	S	S	*	*			trans	-127.4	-173.2	-159.7	46.2	-35.9	0	0	0	118.7
25	L	34	Very low	34.2	Very low	152 Å²	152	136.7 Å²	136.7	80%	0.796	79%	0.789	S	S	*	*			trans	89.6	112.3	146.8	-87	164.9	0	0	0	123
26	N	34.1	Very low	33.9	Very low	164 Å²	164	134.2 Å²	134.2	88%	0.877	79%	0.792	S	S	*	*			trans	132.2	135.6	147.4	-74.7	-22.8	0	0	0	112.3
27	G	32.5	Very low	33.4	Very low	62 Å²	62	134.7 Å²	134.7	64%	0.639	79%	0.791	S	S	*	*			cis	179.9	168.5	-5.9	0	0	0	0	0	112.8
28	T	33.3	Very low	33.4	Very low	129 Å²	129	134 Å²	134	79%	0.791	79%	0.788	S	S	*	*			trans	60.6	105.8	169.9	54.4	0	0	0	0	121
29	N	31.9	Very low	33	Very low	158 Å²	158	136.8 Å²	136.8	85%	0.845	80%	0.796	S	S	*	*				70.2	128.6	124	-58.4	-2.9	0	0	0	122.5
30	T	26.7	Very low	32.6	Very low	142 Å²	142	139.8 Å²	139.8	87%	0.871	80%	0.804	S	S	*	*			trans	-68.9	141.3	175.6	49.4	0	0	0	0	115.2
31	C	28.5	Very low	32.4	Very low	129 Å²	129	139.8 Å²	139.8	87%	0.872	80%	0.804	S	S	*	*			trans	-151.3	156.9	138.7	-155.9	0	0	0	0	110
32	I	25.7	Very low	31.8	Very low	166 Å²	166	146.3 Å²	146.3	85%	0.851	81%	0.812	S	S	*	*			trans	-99.1	129.3	-176.2	-61.4	168.2	0	0	0	109.9
33	S	32	Very low	31.4	Very low	110 Å²	110	147.6 Å²	147.6	77%	0.769	82%	0.818	S	S	*	*			trans	-163.6	133.7	165.1	58.1	0	0	0	0	111.5
34	D	29	Very low	30.9	Very low	152 Å²	152	147.2 Å²	147.2	81%	0.813	82%	0.817	S	S	*	*			trans	-68.1	137.4	174.6	-57.9	-84.1	0	0	0	112.8
35	N	32.1	Very low	30.4	Very low	156 Å²	156	150 Å²	150	83%	0.834	83%	0.826	S	S	*	*			trans	-172.2	125.4	143.2	-108.6	-54.1	0	0	0	111.6
36	S	29.3	Very low	30.1	Very low	123 Å²	123	148.2 Å²	148.2	86%	0.86	83%	0.826	S	S	*	*			trans	-129.7	76.9	174.5	60.2	0	0	0	0	111
37	Q	32.6	Very low	29.7	Very low	166 Å²	166	147.2 Å²	147.2	78%	0.776	83%	0.826	S	S	*	*			trans	-107.6	119.3	163.6	-74.3	-170	-6.5	0	0	109.9
38	N	31.7	Very low	29.4	Very low	145 Å²	145	150.5 Å²	150.5	78%	0.775	83%	0.829	S	S	*	*				169.1	176.1	128.8	-97.3	-70.2	0	0	0	111.1
39	I	31.8	Very low	29.2	Very low	158 Å²	158	149.2 Å²	149.2	81%	0.81	83%	0.825	S	S	*	*			trans	75.1	116.4	-167.4	-49	168.6	0	0	0	109.9
40	M	28.2	Very low	29	Very low	181 Å²	181	152.1 Å²	152.1	89%	0.892	83%	0.826	S	S	*	*			cis	-141.8	142.1	16.9	-146	168.5	-152	0	0	112.6
41	T	30.6	Very low	29.1	Very low	125 Å²	125	149.6 Å²	149.6	77%	0.767	81%	0.81	S	S	*	*			trans	-103.5	120.5	175.9	48.9	0	0	0	0	112.1
42	R	29	Very low	29.1	Very low	243 Å²	243	151.3 Å²	151.3	92%	0.917	81%	0.811	S	S	*	*			trans	174.3	106.1	144.8	-102.2	172.4	-174.9	-155.8	1.4	111.3
43	L	30.4	Very low	29.2	Very low	175 Å²	175	149.2 Å²	149.2	92%	0.916	80%	0.802	S	S	*	*			trans	172.1	76.9	139.4	-95.9	166.4	0	0	0	109.4
44	N	28.1	Very low	29.2	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	79%	0.792	S	S	*	*			trans	-88.4	123.5	165.6	-77.2	3.3	0	0	0	108.8
45	N	27.3	Very low	29.4	Very low	160 Å²	160	147 Å²	147	86%	0.856	79%	0.786	S	S	*	*			trans	171.7	95.2	135.5	-88.9	-6.3	0	0	0	110.6
46	S	26.6	Very low	29.7	Very low	113 Å²	113	142.7 Å²	142.7	79%	0.79	77%	0.769	S	S	*	*			trans	163.6	91.9	148.2	-90.3	0	0	0	0	108.4	D48	S46-D48 PolarHBondContact O-N 2.7Å
47	T	26.7	Very low	30.4	Very low	143 Å²	143	137.5 Å²	137.5	88%	0.877	73%	0.732	S	S	*	*			trans	-91.1	82.8	179.9	48.7	0	0	0	0	111
48	D	26.7	Very low	30.6	Very low	132 Å²	132	131.9 Å²	131.9	71%	0.706	71%	0.71	S	S	*	*			trans	-95.3	106.7	168	-82.2	-47.9	0	0	0	110.6	S46 Y50	S46-D48 PolarHBondContact O-N 2.7Å; D48-Y50 HydrophobicContact CB-CE2 4.38Å; D48-Y50 PolarHBondContact O-N 3.18Å; D48-Y50 VanDerWaalsContact O-N 3.12Å
49	S	27.5	Very low	30.5	Very low	101 Å²	101	131 Å²	131	71%	0.706	70%	0.699	S	S	*	*			trans	-78.7	94.4	-178.9	58	0	0	0	0	111.4	T51	S49-T51 PolarHBondContact O-N 3.4Å
50	Y	28.3	Very low	30.4	Very low	220 Å²	220	128.4 Å²	128.4	86%	0.863	69%	0.694	S	S	*	*			trans	-69.2	69.9	166.3	-77.8	-87.7	0	0	0	111.4	D48	D48-Y50 HydrophobicContact CB-CE2 4.38Å; D48-Y50 PolarHBondContact O-N 3.18Å; D48-Y50 VanDerWaalsContact O-N 3.12Å
51	T	29.2	Very low	30.6	Very low	88 Å²	88	123.1 Å²	123.1	54%	0.54	67%	0.669	S	S	.	*			trans	-61.6	152.7	160.1	53.2	0	0	0	0	109.5	S49 N53	S49-T51 PolarHBondContact O-N 3.4Å; T51-N53 PolarHBondContact O-N 3.23Å
52	N	27.9	Very low	30.4	Very low	165 Å²	165	122.3 Å²	122.3	88%	0.882	67%	0.669	S	S	*	*			trans	-72.7	60.8	177.2	-85.6	-63	0	0	0	112	S54	N52-S54 PolarHBondContact O-N 3.13Å
53	N	28.3	Very low	30.5	Very low	123 Å²	123	116.3 Å²	116.3	66%	0.658	66%	0.661	S	S	*	*			trans	-66.2	98	168.8	-86.1	-20.4	0	0	0	108.7	T51 L55	T51-N53 PolarHBondContact O-N 3.23Å; N53-L55 PolarHBondContact O-N 3.22Å
54	S	32.5	Very low	30.5	Very low	80 Å²	80	113.8 Å²	113.8	56%	0.559	65%	0.653	S	S	*	*			trans	-61.7	89.8	161.4	-65.3	0	0	0	0	107.8	N52 S56	N52-S54 PolarHBondContact O-N 3.13Å; S54-S56 PolarHBondContact O-N 3.31Å
55	L	32.9	Very low	30.6	Very low	134 Å²	134	115.2 Å²	115.2	70%	0.702	66%	0.655	S	S	*	*			trans	-68.3	70.4	177	-80.2	166.6	0	0	0	110.1	N53	N53-L55 PolarHBondContact O-N 3.22Å
56	S	38.4	Very low	30.9	Very low	66 Å²	66	115 Å²	115	46%	0.462	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-53.8	141.5	164.6	55.7	0	0	0	0	109.5	S54	S54-S56 PolarHBondContact O-N 3.31Å
57	V	43	Very low	31	Very low	15 Å²	15	119.4 Å²	119.4	9%	0.091	66%	0.658	C	S	.	*	S	Bend	trans	-50.6	125.1	-179.3	-179.6	0	0	0	0	109.2	F59 M86 W126 C180	V57-F59 PolarHBondContact O-N 3.43Å; V57-M86 HydrophobicContact CG1-CE 3.51Å; V57-M86 HydrophobicContact CG1-SD 4.4Å; V57-W126 HydrophobicContact CB-CH2 4.48Å; V57-W126 HydrophobicContact CG1-CH2 4.18Å; V57-C180 VanDerWaalsContact CG2-SG 3.57Å
58	P	36.7	Very low	31.4	Very low	47 Å²	47	118.8 Å²	118.8	31%	0.305	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-56.9	129	-156.4	15.3	-31.3	0	0	0	113.5	C60 Y570	P58-C60 PolarHBondContact O-N 2.77Å; P58-Y570 HydrophobicContact CB-CE1 4.37Å; P58-Y570 HydrophobicContact CG-CE1 4.44Å
59	F	31.3	Very low	31.6	Very low	128 Å²	128	120 Å²	120	56%	0.561	66%	0.661	S	S	*	*			trans	-57.8	104.1	-179.2	-109.8	-103.4	0	0	0	111.3	V57 N61	V57-F59 PolarHBondContact O-N 3.43Å; F59-N61 PolarHBondContact O-N 2.98Å
60	C	29	Very low	32.1	Very low	103 Å²	103	122 Å²	122	70%	0.696	67%	0.669	S	S	*	*			trans	-87.6	87.8	170.8	-164.6	0	0	0	0	109.5	P58	P58-C60 PolarHBondContact O-N 2.77Å
61	N	31.3	Very low	32.3	Very low	70 Å²	70	117.1 Å²	117.1	37%	0.374	67%	0.667	S	S	.	*			trans	-155.7	100.8	173.4	-83.7	-56.1	0	0	0	111.8	F59 R123	F59-N61 PolarHBondContact O-N 2.98Å; N61-R123 PolarHBondContact ND2-NH1 3.16Å; N61-R123 VanDerWaalsContact OD1-CZ 3.24Å; N61-R123 PolarHBondContact OD1-NH1 2.81Å; N61-R123 PolarHBondContact OD1-NH2 3.3Å
62	S	27.4	Very low	32.8	Very low	107 Å²	107	118.5 Å²	118.5	75%	0.748	68%	0.68	S	S	*	*			trans	-142.5	85	160.7	60.3	0	0	0	0	109.7	T64	S62-T64 PolarHBondContact O-N 2.98Å
63	P	32.1	Very low	33	Very low	118 Å²	118	116.8 Å²	116.8	77%	0.766	68%	0.681	S	S	*	*			trans	-89.7	82.8	173.5	34.4	-30.2	0	0	0	109.9
64	T	29.1	Very low	33.5	Very low	122 Å²	122	116.1 Å²	116.1	75%	0.748	69%	0.685	S	S	*	*			trans	-106.3	67.9	175.1	-47.7	0	0	0	0	110	S62	S62-T64 PolarHBondContact O-N 2.98Å
65	E	31	Very low	34.1	Very low	184 Å²	184	117.5 Å²	117.5	86%	0.86	69%	0.691	S	S	*	*			trans	-117.9	126	166.9	-79.6	-66.2	158.3	0	0	107.5
66	L	32.3	Very low	34.6	Very low	155 Å²	155	117 Å²	117	81%	0.812	70%	0.696	S	S	*	*			trans	-84.1	146.8	-169.9	-79	150.5	0	0	0	111.6	T68	L66-T68 PolarHBondContact O-N 2.96Å; L66-T68 VanDerWaalsContact O-N 3.16Å
67	F	30.1	Very low	34.6	Very low	206 Å²	206	124.6 Å²	124.6	90%	0.904	72%	0.715	S	S	*	*			trans	-67.6	111.1	173.3	-78	-90.8	0	0	0	111.3
68	T	34.2	Very low	34.5	Very low	131 Å²	131	131.7 Å²	131.7	80%	0.804	75%	0.752	S	S	*	*			trans	-129.7	120.1	159.4	52	0	0	0	0	110.4	L66	L66-T68 PolarHBondContact O-N 2.96Å; L66-T68 VanDerWaalsContact O-N 3.16Å
69	N	31.1	Very low	34.7	Very low	158 Å²	158	135.2 Å²	135.2	85%	0.845	77%	0.772	S	S	*	*			trans	-71.9	136.5	169.9	-66.3	-37	0	0	0	109.7
70	V	37.3	Very low	35.6	Very low	142 Å²	142	135.6 Å²	135.6	86%	0.861	79%	0.785	S	S	*	*				-159.4	140.9	129.5	161.2	0	0	0	0	108.6
71	S	32.6	Very low	36.7	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	78%	0.777	S	S	*	*			trans	-68.7	129.5	180	-46.5	0	0	0	0	113.7
72	S	39.9	Very low	37.9	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	80%	0.796	S	S	*	*			trans	-161.7	149.9	148.2	54.5	0	0	0	0	111.1	C74	S72-C74 PolarHBondContact O-N 2.71Å
73	S	33.4	Very low	39.7	Very low	129 Å²	129	139.6 Å²	139.6	90%	0.902	79%	0.793	S	S	*	*			trans	-86.4	105.4	-173.9	54.5	0	0	0	0	112.1
74	C	37	Very low	41.7	Very low	110 Å²	110	138.6 Å²	138.6	74%	0.743	78%	0.777	S	S	*	*			trans	-135.4	129.6	166.4	-159.2	0	0	0	0	108.8	S72	S72-C74 PolarHBondContact O-N 2.71Å
75	P	46.2	Very low	44.5	Very low	108 Å²	108	136.9 Å²	136.9	70%	0.701	77%	0.766	S	S	*	*			trans	-64.4	146.4	179.1	27.3	-34.5	0	0	0	110.7	R77	P75-R77 PolarHBondContact O-N 2.85Å
76	P	43.4	Very low	47.5	Very low	123 Å²	123	128.9 Å²	128.9	80%	0.799	73%	0.73	S	S	*	*			trans	-62.5	108.5	-176.3	25.1	-33.9	0	0	0	110.5	L78	P76-L78 PolarHBondContact O-N 2.63Å
77	R	39	Very low	50.5	Low	226 Å²	226	123.6 Å²	123.6	85%	0.853	70%	0.699	S	S	*	*			trans	-64.5	116.7	178.5	-167.4	177.3	-168.2	-128.3	3.9	108.5	P75 T79	P75-R77 PolarHBondContact O-N 2.85Å; R77-T79 VanDerWaalsContact C-N 3.35Å; R77-T79 PolarHBondContact O-N 2.93Å
78	L	39.9	Very low	53.6	Low	165 Å²	165	113.8 Å²	113.8	86%	0.864	66%	0.656	S	S	*	*			trans	-63	89.8	-178.9	-70.5	169.3	0	0	0	111.2	P76 T80	P76-L78 PolarHBondContact O-N 2.63Å; L78-T80 PolarHBondContact O-N 2.93Å
79	T	40.3	Very low	56.5	Low	121 Å²	121	108.5 Å²	108.5	74%	0.742	62%	0.621	S	S	*	*			trans	-74.4	105.9	171.5	51	0	0	0	0	109	R77 T81	R77-T79 VanDerWaalsContact C-N 3.35Å; R77-T79 PolarHBondContact O-N 2.93Å; T79-T81 PolarHBondContact O-N 2.87Å; T79-T81 VanDerWaalsContact O-N 3.14Å
80	T	51.3	Low	59.6	Low	135 Å²	135	101 Å²	101	83%	0.828	58%	0.581	S	S	*	*			trans	-65.9	111.2	173.4	40.2	0	0	0	0	109.7	L78	L78-T80 PolarHBondContact O-N 2.93Å
81	T	52.2	Low	62.3	Low	86 Å²	86	94.5 Å²	94.5	53%	0.528	54%	0.541	S	S	.	.			trans	-58.9	133.6	171.3	48.7	0	0	0	0	109.4	T79 K83 S121	T79-T81 PolarHBondContact O-N 2.87Å; T79-T81 VanDerWaalsContact O-N 3.14Å; T81-K83 PolarHBondContact O-N 3.24Å; T81-S121 WeakPolarHBondContact OG1-CB 3.36Å
82	P	56.7	Low	65.2	Low	120 Å²	120	89 Å²	89	78%	0.779	50%	0.503	S	S	*	.			trans	-60.3	125.7	-179.4	24.2	-33.3	0	0	0	109.9	K84	P82-K84 PolarHBondContact O-N 2.84Å
83	K	65.3	Low	67.8	Low	158 Å²	158	87 Å²	87	69%	0.687	48%	0.483	S	S	*	.			trans	-65.2	100.5	-178.3	-70.3	-176	180	180	0	109.8	T81 T85	T81-K83 PolarHBondContact O-N 3.24Å; K83-T85 PolarHBondContact O-N 3.49Å
84	K	74.1	Confident	70.7	Confident	97 Å²	97	81 Å²	81	42%	0.422	44%	0.441	S	S	.	.			trans	-76.8	104.4	173	-173.1	173.1	-177.7	176.1	0	108.8	P82 A120	P82-K84 PolarHBondContact O-N 2.84Å; K84-A120 HydrophobicContact CB-CB 4.41Å; K84-A120 PolarHBondContact O-N 2.74Å; K84-A120 VanDerWaalsContact O-N 3.14Å
85	T	87.9	Confident	73.4	Confident	86 Å²	86	78.8 Å²	78.8	53%	0.528	42%	0.421	S	S	.	.			trans	-87.2	148	168.7	53.2	0	0	0	0	110.4	K83 V117 V118	K83-T85 PolarHBondContact O-N 3.49Å; T85-V117 VanDerWaalsContact CA-O 3.27Å; T85-V117 WeakPolarHBondContact CA-O 3.38Å; T85-V118 WeakPolarHBondContact CG2-O 3.45Å
86	M	92.9	Very high	75.8	Confident	17 Å²	17	74.6 Å²	74.6	8%	0.084	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	155.2	177.6	54.8	-156.1	-50.7	0	0	111.9	V57 V88 V117 A120 L357	V57-M86 HydrophobicContact CG1-CE 3.51Å; V57-M86 HydrophobicContact CG1-SD 4.4Å; M86-V88 HydrophobicContact CG-CG1 4.48Å; M86-V117 HydrophobicContact CG-CB 3.82Å; M86-V117 HydrophobicContact CG-CG1 4.34Å; M86-V117 HydrophobicContact CG-CG2 4.34Å; M86-V117 PolarHBondContact N-O 3.45Å; M86-V117 PolarHBondContact O-N 2.82Å; M86-A120 HydrophobicContact SD-CB 3.98Å; M86-L357 HydrophobicContact CB-CD2 4.45Å; M86-L357 HydrophobicContact CE-CD1 4.09Å; M86-L357 HydrophobicContact CE-CD2 3.69Å; M86-L357 HydrophobicContact CE-CG 3.97Å
87	Y	95	Very high	78.1	Confident	43 Å²	43	75.4 Å²	75.4	17%	0.169	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.9	171.8	-62	-79.9	0	0	0	110	L115 H116 F137 V358 W548	Y87-L115 WeakPolarHBondContact CA-O 3.46Å; Y87-H116 HydrophobicContact CD1-CB 3.75Å; Y87-H116 AromaticContact CD1-CG 3.95Å; Y87-H116 HydrophobicContact CE1-CB 3.44Å; Y87-H116 VanDerWaalsContact CE1-CB 3.44Å; Y87-H116 AromaticContact CE1-CD2 3.71Å; Y87-H116 AromaticContact CE1-CG 3.3Å; Y87-H116 AromaticContact CE1-ND1 3.61Å; Y87-H116 AromaticContact CZ-CD2 3.94Å; Y87-H116 AromaticContact CZ-CE1 3.95Å; Y87-H116 AromaticContact CZ-CG 3.84Å; Y87-H116 AromaticContact CZ-ND1 3.83Å; Y87-H116 PolarHBondContact OH-CE1 3.04Å; Y87-H116 PolarHBondContact OH-ND1 2.81Å; Y87-F137 AromaticContact CD1-CE1 3.71Å; Y87-F137 HydrophobicContact CD1-CE1 3.71Å; Y87-F137 HydrophobicContact CD1-CZ 4.1Å; Y87-F137 HydrophobicContact CE1-CD1 4.12Å; Y87-F137 AromaticContact CE1-CE1 3.22Å; Y87-F137 HydrophobicContact CE1-CE1 3.22Å; Y87-F137 AromaticContact CE1-CZ 3.87Å; Y87-F137 HydrophobicContact CE1-CZ 3.87Å; Y87-F137 HydrophobicContact CE2-CE1 4.16Å; Y87-F137 HydrophobicContact CG-CE1 4.35Å; Y87-F137 AromaticContact CZ-CD1 3.99Å; Y87-F137 AromaticContact CZ-CE1 3.49Å; Y87-F137 VanDerWaalsContact CZ-CE1 3.49Å; Y87-V358 PolarHBondContact O-N 3.27Å; Y87-W548 HydrophobicContact CD1-CH2 4.27Å; Y87-W548 HydrophobicContact CD1-CZ3 4.43Å; Y87-W548 HydrophobicContact CD2-CH2 4.43Å; Y87-W548 HydrophobicContact CD2-CZ3 4.44Å; Y87-W548 HydrophobicContact CG-CH2 4.07Å; Y87-W548 AromaticContact CG-CZ3 3.93Å; Y87-W548 HydrophobicContact CG-CZ3 3.93Å
88	V	95.7	Very high	80.6	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.6	179.3	-60.4	0	0	0	0	111.7	M86 L115 V117 Y355 D356	M86-V88 HydrophobicContact CG-CG1 4.48Å; V88-L115 HydrophobicContact CG2-CB 3.92Å; V88-L115 HydrophobicContact CG2-CD1 4.47Å; V88-L115 PolarHBondContact N-O 2.83Å; V88-L115 PolarHBondContact O-N 3.42Å; V88-V117 HydrophobicContact CG2-CG2 3.93Å; V88-Y355 HydrophobicContact CB-CG 4.44Å; V88-Y355 HydrophobicContact CG2-CD1 3.9Å; V88-Y355 HydrophobicContact CG2-CG 4.09Å; V88-D356 CarbonylContact C-O 3.53Å; V88-D356 WeakPolarHBondContact CA-O 3.45Å; V88-D356 WeakPolarHBondContact CB-O 3.49Å
89	R	95.7	Very high	83	Confident	21 Å²	21	61.4 Å²	61.4	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.8	165.8	174	173.7	61.1	128.2	-3.7	108.9	I114 Y355 D356 V358 R517 L519	R89-I114 HydrophobicContact CB-CD1 3.83Å; R89-I114 HydrophobicContact CG-CD1 4.14Å; R89-Y355 WeakPolarHBondContact O-CA 3.37Å; R89-D356 HydrophobicContact CB-CB 4.35Å; R89-D356 IonicContact CZ-OD2 2.74Å; R89-D356 PolarHBondContact N-O 3.48Å; R89-D356 IonicContact NE-OD2 3.02Å; R89-D356 IonicContact NH2-OD2 3.08Å; R89-D356 PolarHBondContact NH2-OD2 3.36Å; R89-D356 PolarHBondContact O-N 2.93Å; R89-V358 HydrophobicContact CB-CG1 3.82Å; R89-V358 HydrophobicContact CB-CG2 4.43Å; R89-R517 PolarHBondContact NH1-O 2.84Å; R89-R517 PolarHBondContact NH2-O 2.95Å; R89-L519 PolarHBondContact NH1-O 3.44Å
90	A	96.1	Very high	85.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.2	173.3	0	0	0	0	0	111	F109 Q110 G112 D113 L115	A90-F109 HydrophobicContact CB-CD2 3.39Å; A90-F109 HydrophobicContact CB-CE2 3.61Å; A90-F109 HydrophobicContact CB-CG 4.31Å; A90-Q110 WeakPolarHBondContact CB-O 3.36Å; A90-G112 PolarHBondContact O-N 3.36Å; A90-D113 HydrophobicContact CB-CB 4.37Å; A90-D113 PolarHBondContact N-O 3.13Å; A90-L115 HydrophobicContact CB-CD1 4.48Å
91	L	94.9	Very high	87.1	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.026	32%	0.319	C	S	.	.			trans	-111.1	5.6	-178.2	-58.3	168.4	0	0	0	113.1	H111 R353 S354 D356 W516	L91-H111 WeakPolarHBondContact CA-CE1 3.29Å; L91-H111 PolarHBondContact O-CE1 2.99Å; L91-H111 PolarHBondContact O-ND1 3.25Å; L91-H111 PolarHBondContact O-NE2 2.97Å; L91-R353 HydrophobicContact CB-CB 4.49Å; L91-R353 WeakPolarHBondContact O-CD 3.37Å; L91-S354 WeakPolarHBondContact CB-O 3.27Å; L91-S354 PolarHBondContact N-O 2.99Å; L91-S354 VanDerWaalsContact N-O 3.07Å; L91-D356 HydrophobicContact CD1-CB 4.01Å; L91-D356 HydrophobicContact CD2-CB 4Å; L91-D356 HydrophobicContact CG-CB 4.22Å; L91-W516 HydrophobicContact CB-CE3 3.95Å; L91-W516 HydrophobicContact CB-CZ3 4.04Å; L91-W516 HydrophobicContact CD1-CE3 4.14Å; L91-W516 HydrophobicContact CD1-CH2 4.12Å; L91-W516 HydrophobicContact CD1-CZ3 3.38Å; L91-W516 HydrophobicContact CD2-CE3 3.91Å; L91-W516 HydrophobicContact CD2-CZ3 3.8Å; L91-W516 HydrophobicContact CG-CE3 4.21Å; L91-W516 HydrophobicContact CG-CZ3 3.93Å
92	F	93.2	Very high	89	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.013	31%	0.306	C	S	.	.	S	Bend	trans	-153.6	162.4	-178.3	65.7	-75.7	0	0	0	109	F109 H111 P178 I183 P236 W237 R353 S354 Y355	F92-F109 HydrophobicContact CD2-CE2 4.43Å; F92-F109 HydrophobicContact CE1-CE2 4.09Å; F92-F109 HydrophobicContact CE1-CZ 4.12Å; F92-F109 HydrophobicContact CE2-CE2 4Å; F92-F109 AromaticContact CE2-CZ 3.91Å; F92-F109 HydrophobicContact CE2-CZ 3.91Å; F92-F109 AromaticContact CZ-CE2 3.83Å; F92-F109 HydrophobicContact CZ-CE2 3.83Å; F92-F109 AromaticContact CZ-CZ 3.55Å; F92-F109 HydrophobicContact CZ-CZ 3.55Å; F92-F109 WeakPolarHBondContact O-CE2 3.13Å; F92-H111 PolarHBondContact N-CE1 3.23Å; F92-P178 HydrophobicContact CZ-CG 4.41Å; F92-I183 HydrophobicContact CE1-CD1 3.71Å; F92-I183 HydrophobicContact CZ-CD1 3.53Å; F92-I183 HydrophobicContact CZ-CG1 4.13Å; F92-P236 HydrophobicContact CD2-CG 4.41Å; F92-W237 AromaticContact CD2-NE1 3.8Å; F92-W237 HydrophobicContact CE2-CZ2 4.31Å; F92-W237 AromaticContact CE2-NE1 3.43Å; F92-R353 HydrophobicContact CB-CB 4.15Å; F92-S354 VanDerWaalsContact CD1-O 3.24Å; F92-S354 WeakPolarHBondContact CD1-O 3.49Å; F92-S354 VanDerWaalsContact CE1-O 3.24Å; F92-S354 WeakPolarHBondContact CE1-O 3.26Å; F92-Y355 HydrophobicContact CE1-CD1 4.38Å; F92-Y355 AromaticContact CE1-CE1 3.9Å; F92-Y355 HydrophobicContact CE1-CE1 3.9Å; F92-Y355 HydrophobicContact CZ-CE1 4.23Å
93	D	93.3	Very high	90.6	Very high	73 Å²	73	53.5 Å²	53.5	39%	0.39	30%	0.295	S	S	.	.			trans	-84.7	136.9	172.9	-61.1	-35.1	0	0	0	110.7	Q110 H111 S235	D93-Q110 VanDerWaalsContact OD1-CA 3.25Å; D93-Q110 WeakPolarHBondContact OD1-CA 3.45Å; D93-H111 PolarHBondContact OD1-N 2.91Å; D93-S235 PolarHBondContact O-OG 3.37Å
94	Y	95	Very high	91.8	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.02	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-124.6	112	176.7	176.5	-122.4	0	0	0	111.1	P96 D99 L107 P108 F109 P178 W237	Y94-P96 HydrophobicContact CD1-CG 4.29Å; Y94-P96 HydrophobicContact CE1-CB 4.49Å; Y94-P96 HydrophobicContact CE1-CG 3.79Å; Y94-D99 HydrophobicContact CE2-CB 3.94Å; Y94-L107 VanDerWaalsContact CD1-O 3.26Å; Y94-L107 WeakPolarHBondContact CD1-O 3.42Å; Y94-L107 WeakPolarHBondContact CE1-O 3.42Å; Y94-P108 WeakPolarHBondContact O-CA 3.45Å; Y94-F109 AromaticContact CD1-CD1 3.82Å; Y94-F109 HydrophobicContact CD1-CD1 3.82Å; Y94-F109 AromaticContact CD1-CE1 3.41Å; Y94-F109 HydrophobicContact CD1-CE1 3.41Å; Y94-F109 VanDerWaalsContact CD1-CE1 3.41Å; Y94-F109 HydrophobicContact CD1-CZ 4.05Å; Y94-F109 HydrophobicContact CE1-CE1 4.4Å; Y94-F109 HydrophobicContact CG-CD1 4.36Å; Y94-F109 AromaticContact CG-CE1 3.8Å; Y94-F109 HydrophobicContact CG-CE1 3.8Å; Y94-F109 AromaticContact CG-CZ 3.94Å; Y94-F109 HydrophobicContact CG-CZ 3.94Å; Y94-F109 PolarHBondContact N-O 3.07Å; Y94-F109 PolarHBondContact O-N 3.34Å; Y94-P178 HydrophobicContact CD2-CG 4.12Å; Y94-P178 HydrophobicContact CE2-CG 3.97Å; Y94-W237 HydrophobicContact CD2-CD2 4.33Å; Y94-W237 AromaticContact CD2-CE2 3.86Å; Y94-W237 HydrophobicContact CD2-CG 4.48Å; Y94-W237 HydrophobicContact CD2-CZ2 4.32Å; Y94-W237 AromaticContact CD2-NE1 3.65Å; Y94-W237 HydrophobicContact CE2-CD2 4.47Å; Y94-W237 HydrophobicContact CE2-CZ2 4.45Å
95	D	94.4	Very high	92.7	Very high	63 Å²	63	54.3 Å²	54.3	34%	0.337	30%	0.302	S	S	.	.			trans	-99.3	112.1	164.1	-176.1	-0.3	0	0	0	109.7	N97 L98	D95-N97 PolarHBondContact O-N 3.46Å; D95-N97 VanDerWaalsContact O-N 3.1Å; D95-N97 WeakPolarHBondContact OD1-CB 3.45Å; D95-N97 PolarHBondContact OD1-N 2.68Å; D95-N97 PolarHBondContact OD1-ND2 3Å; D95-L98 HydrophobicContact CB-CD1 4.11Å; D95-L98 HydrophobicContact CB-CG 4.07Å; D95-L98 PolarHBondContact O-N 3.43Å
96	P	94.8	Very high	93	Very high	19 Å²	19	50.7 Å²	50.7	12%	0.123	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-50.9	-27.1	172	-30.8	37.7	0	0	0	115.2	Y94 L98 D99 L102 P108	Y94-P96 HydrophobicContact CD1-CG 4.29Å; Y94-P96 HydrophobicContact CE1-CB 4.49Å; Y94-P96 HydrophobicContact CE1-CG 3.79Å; P96-L98 PolarHBondContact O-N 3.44Å; P96-D99 PolarHBondContact O-N 3.44Å; P96-L102 HydrophobicContact CB-CD2 3.89Å; P96-P108 HydrophobicContact CG-CB 4.17Å
97	N	93.3	Very high	93.2	Very high	141 Å²	141	51 Å²	51	75%	0.754	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-73.3	-17	-179.1	-57	-71.7	0	0	0	112.9	D95	D95-N97 PolarHBondContact O-N 3.46Å; D95-N97 VanDerWaalsContact O-N 3.1Å; D95-N97 WeakPolarHBondContact OD1-CB 3.45Å; D95-N97 PolarHBondContact OD1-N 2.68Å; D95-N97 PolarHBondContact OD1-ND2 3Å
98	L	90.9	Very high	93.2	Very high	86 Å²	86	52.5 Å²	52.5	45%	0.45	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-96.2	-7.7	177.7	-57.3	-178.6	0	0	0	113.1	D95 P96 W237	D95-L98 HydrophobicContact CB-CD1 4.11Å; D95-L98 HydrophobicContact CB-CG 4.07Å; D95-L98 PolarHBondContact O-N 3.43Å; P96-L98 PolarHBondContact O-N 3.44Å; L98-W237 HydrophobicContact CB-CB 3.77Å
99	D	90	Very high	93.2	Very high	11 Å²	11	52.8 Å²	52.8	6%	0.059	30%	0.301	C	S	.	.	S	Bend	trans	-102.7	150.3	175.5	-165	13.5	0	0	0	112.1	Y94 P96 L102 W125 R182 R186 W237	Y94-D99 HydrophobicContact CE2-CB 3.94Å; P96-D99 PolarHBondContact O-N 3.44Å; D99-L102 HydrophobicContact CB-CD1 3.9Å; D99-L102 VanDerWaalsContact O-CD1 3.26Å; D99-L102 WeakPolarHBondContact O-CD1 3.46Å; D99-W125 WeakPolarHBondContact OD2-CH2 3.28Å; D99-R182 IonicContact OD1-CZ 3.65Å; D99-R182 IonicContact OD1-NE 3.33Å; D99-R182 IonicContact OD1-NH2 3.88Å; D99-R182 PolarHBondContact OD1-NH2 3.3Å; D99-R182 IonicContact OD2-CZ 2.74Å; D99-R182 IonicContact OD2-NE 2.65Å; D99-R182 PolarHBondContact OD2-NE 3.23Å; D99-R182 IonicContact OD2-NH2 3.7Å; D99-R182 PolarHBondContact OD2-NH2 3.29Å; D99-R186 IonicContact OD1-CZ 3.49Å; D99-R186 IonicContact OD1-NE 2.95Å; D99-R186 PolarHBondContact OD1-NE 2.93Å; D99-R186 IonicContact OD1-NH1 3.96Å; D99-R186 PolarHBondContact OD1-NH1 3.38Å; D99-R186 IonicContact OD1-NH2 2.66Å; D99-R186 PolarHBondContact OD1-NH2 3.48Å; D99-W237 HydrophobicContact CB-CD2 4.26Å; D99-W237 HydrophobicContact CB-CE3 3.58Å; D99-W237 HydrophobicContact CB-CZ3 3.84Å; D99-W237 VanDerWaalsContact OD1-CZ3 3.26Å; D99-W237 WeakPolarHBondContact OD1-CZ3 3.42Å; D99-W237 WeakPolarHBondContact OD2-CZ3 3.46Å
100	T	89.6	Confident	93.1	Very high	97 Å²	97	57.6 Å²	57.6	60%	0.595	32%	0.324	S	S	*	.	S	Bend	trans	-119.5	135.9	-169.5	50	0	0	0	0	112	R182 R186	T100-R182 PolarHBondContact O-NH2 2.62Å; T100-R186 PolarHBondContact O-NH2 3.47Å; T100-R186 PolarHBondContact OG1-NH2 2.94Å
101	G	89	Confident	93	Very high	63 Å²	63	58.1 Å²	58.1	65%	0.649	33%	0.326	S	S	*	.			trans	78.5	35	-177.6	0	0	0	0	0	114.2	W125	G101-W125 VanDerWaalsContact O-CZ2 3.27Å; G101-W125 WeakPolarHBondContact O-CZ2 3.28Å; G101-W125 PolarHBondContact O-NE1 2.9Å
102	L	90.7	Very high	93	Very high	49 Å²	49	58 Å²	58	26%	0.257	33%	0.327	S	S	.	.			trans	-62.5	136.2	168.9	-80.9	74.5	0	0	0	110.1	P96 D99 W125	P96-L102 HydrophobicContact CB-CD2 3.89Å; D99-L102 HydrophobicContact CB-CD1 3.9Å; D99-L102 VanDerWaalsContact O-CD1 3.26Å; D99-L102 WeakPolarHBondContact O-CD1 3.46Å; L102-W125 HydrophobicContact CB-CH2 4.35Å; L102-W125 HydrophobicContact CB-CZ2 4.4Å; L102-W125 HydrophobicContact CD1-CH2 3.67Å; L102-W125 HydrophobicContact CD1-CZ2 4.22Å; L102-W125 HydrophobicContact CG-CH2 3.58Å; L102-W125 HydrophobicContact CG-CZ2 4.09Å; L102-W125 HydrophobicContact CG-CZ3 4.21Å
103	P	91.4	Very high	93.1	Very high	86 Å²	86	59.4 Å²	59.4	56%	0.558	33%	0.334	S	S	*	.	S	Bend	trans	-82.9	-19.5	-179.5	33.3	-34.9	0	0	0	112.6	W125 I176	P103-W125 HydrophobicContact CG-CB 4.34Å; P103-W125 HydrophobicContact CG-CD2 4.41Å; P103-W125 HydrophobicContact CG-CG 3.95Å; P103-I176 HydrophobicContact CG-CG1 4.25Å; P103-I176 HydrophobicContact CG-CG2 4.24Å
104	S	90.3	Very high	93.1	Very high	72 Å²	72	56.4 Å²	56.4	50%	0.503	32%	0.318	S	S	.	.	S	Bend	trans	-164.4	-165.7	175.7	69.5	0	0	0	0	110	G106 I176	S104-G106 PolarHBondContact O-N 3.08Å; S104-G106 VanDerWaalsContact O-N 3.1Å; S104-I176 VanDerWaalsContact OG-CG1 3.22Å; S104-I176 WeakPolarHBondContact OG-CG1 3.4Å
105	R	93.3	Very high	93.2	Very high	200 Å²	200	56.1 Å²	56.1	76%	0.755	32%	0.317	S	S	*	.			trans	-54.1	114.3	-177.9	-176.5	179.8	-177.9	-178.4	0.8	111.9	G175 I176	R105-G175 WeakPolarHBondContact O-CA 3.47Å; R105-I176 PolarHBondContact O-N 3.12Å
106	G	94.6	Very high	93.2	Very high	11 Å²	11	54.3 Å²	54.3	11%	0.113	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-67.9	145.8	171.5	0	0	0	0	0	112.2	S104 P108 I176	S104-G106 PolarHBondContact O-N 3.08Å; S104-G106 VanDerWaalsContact O-N 3.1Å; G106-P108 WeakPolarHBondContact O-CD 3.44Å; G106-I176 CarbonylContact C-O 3.41Å; G106-I176 VanDerWaalsContact CA-O 3.29Å; G106-I176 WeakPolarHBondContact CA-O 3.27Å
107	L	95.9	Very high	93.2	Very high	24 Å²	24	53.4 Å²	53.4	13%	0.126	30%	0.3	C	S	.	.			trans	-97.1	107.8	172	173.2	66.6	0	0	0	108.7	Y94 F109 L115 A128 R130 I176 I177	Y94-L107 VanDerWaalsContact CD1-O 3.26Å; Y94-L107 WeakPolarHBondContact CD1-O 3.42Å; Y94-L107 WeakPolarHBondContact CE1-O 3.42Å; L107-F109 WeakPolarHBondContact O-CD1 3.47Å; L107-L115 HydrophobicContact CD2-CD2 4.3Å; L107-A128 HydrophobicContact CD2-CB 4.18Å; L107-R130 HydrophobicContact CD1-CB 4.42Å; L107-R130 HydrophobicContact CD2-CB 4.46Å; L107-I176 PolarHBondContact N-O 3.5Å; L107-I177 HydrophobicContact CB-CG2 3.9Å; L107-I177 HydrophobicContact CD2-CG2 4.05Å; L107-I177 HydrophobicContact CG-CG2 4.3Å
108	P	95.6	Very high	93.3	Very high	74 Å²	74	49 Å²	49	48%	0.481	28%	0.278	S	S	.	.			trans	-69.6	145.7	173.3	29.1	-33.6	0	0	0	111	Y94 P96 G106	Y94-P108 WeakPolarHBondContact O-CA 3.45Å; P96-P108 HydrophobicContact CG-CB 4.17Å; G106-P108 WeakPolarHBondContact O-CD 3.44Å
109	F	95.1	Very high	93.4	Very high	6 Å²	6	46 Å²	46	3%	0.026	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-152.1	159.5	175.6	59.6	-102.2	0	0	0	111.6	A90 F92 Y94 L107 D113 L115 I177 Y355	A90-F109 HydrophobicContact CB-CD2 3.39Å; A90-F109 HydrophobicContact CB-CE2 3.61Å; A90-F109 HydrophobicContact CB-CG 4.31Å; F92-F109 HydrophobicContact CD2-CE2 4.43Å; F92-F109 HydrophobicContact CE1-CE2 4.09Å; F92-F109 HydrophobicContact CE1-CZ 4.12Å; F92-F109 HydrophobicContact CE2-CE2 4Å; F92-F109 AromaticContact CE2-CZ 3.91Å; F92-F109 HydrophobicContact CE2-CZ 3.91Å; F92-F109 AromaticContact CZ-CE2 3.83Å; F92-F109 HydrophobicContact CZ-CE2 3.83Å; F92-F109 AromaticContact CZ-CZ 3.55Å; F92-F109 HydrophobicContact CZ-CZ 3.55Å; F92-F109 WeakPolarHBondContact O-CE2 3.13Å; Y94-F109 AromaticContact CD1-CD1 3.82Å; Y94-F109 HydrophobicContact CD1-CD1 3.82Å; Y94-F109 AromaticContact CD1-CE1 3.41Å; Y94-F109 HydrophobicContact CD1-CE1 3.41Å; Y94-F109 VanDerWaalsContact CD1-CE1 3.41Å; Y94-F109 HydrophobicContact CD1-CZ 4.05Å; Y94-F109 HydrophobicContact CE1-CE1 4.4Å; Y94-F109 HydrophobicContact CG-CD1 4.36Å; Y94-F109 AromaticContact CG-CE1 3.8Å; Y94-F109 HydrophobicContact CG-CE1 3.8Å; Y94-F109 AromaticContact CG-CZ 3.94Å; Y94-F109 HydrophobicContact CG-CZ 3.94Å; Y94-F109 PolarHBondContact N-O 3.07Å; Y94-F109 PolarHBondContact O-N 3.34Å; L107-F109 WeakPolarHBondContact O-CD1 3.47Å; F109-D113 VanDerWaalsContact CA-OD2 3.25Å; F109-D113 WeakPolarHBondContact CA-OD2 3.4Å; F109-D113 HydrophobicContact CB-CB 3.99Å; F109-D113 WeakPolarHBondContact CB-OD2 3.29Å; F109-L115 HydrophobicContact CB-CD2 4.06Å; F109-L115 HydrophobicContact CD1-CD1 3.72Å; F109-L115 HydrophobicContact CD1-CD2 4.41Å; F109-L115 HydrophobicContact CD2-CD1 4.41Å; F109-L115 HydrophobicContact CE1-CD1 3.9Å; F109-L115 HydrophobicContact CG-CD1 3.99Å; F109-L115 HydrophobicContact CG-CD2 4.37Å; F109-L115 HydrophobicContact CZ-CD1 4.32Å; F109-I177 HydrophobicContact CD1-CG2 3.88Å; F109-I177 HydrophobicContact CE1-CB 3.91Å; F109-I177 HydrophobicContact CE1-CG2 3.6Å; F109-Y355 HydrophobicContact CE1-CE1 4.35Å; F109-Y355 HydrophobicContact CE2-CE1 4.19Å; F109-Y355 AromaticContact CZ-CE1 3.7Å; F109-Y355 HydrophobicContact CZ-CE1 3.7Å; F109-Y355 WeakPolarHBondContact CZ-OH 3.24Å
110	Q	94.2	Very high	93.5	Very high	121 Å²	121	46.3 Å²	46.3	57%	0.565	27%	0.267	S	S	*	.			trans	-109.1	162.2	177.1	-70.3	178.1	-15	0	0	111.8	A90 D93 G112 D113	A90-Q110 WeakPolarHBondContact CB-O 3.36Å; D93-Q110 VanDerWaalsContact OD1-CA 3.25Å; D93-Q110 WeakPolarHBondContact OD1-CA 3.45Å; Q110-G112 PolarHBondContact O-N 3.03Å; Q110-D113 PolarHBondContact N-OD2 3.28Å; Q110-D113 VanDerWaalsContact O-CB 3.32Å; Q110-D113 WeakPolarHBondContact O-CB 3.34Å; Q110-D113 PolarHBondContact O-N 2.85Å
111	H	94.8	Very high	93.5	Very high	11 Å²	11	44.1 Å²	44.1	5%	0.051	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	122.7	169.5	-180	102.6	0	0	0	110.6	L91 F92 D93 W516 I522	L91-H111 WeakPolarHBondContact CA-CE1 3.29Å; L91-H111 PolarHBondContact O-CE1 2.99Å; L91-H111 PolarHBondContact O-ND1 3.25Å; L91-H111 PolarHBondContact O-NE2 2.97Å; F92-H111 PolarHBondContact N-CE1 3.23Å; D93-H111 PolarHBondContact OD1-N 2.91Å; H111-W516 WeakPolarHBondContact NE2-CA 3.46Å; H111-W516 WeakPolarHBondContact NE2-CB 3.4Å; H111-W516 AromaticContact NE2-CE3 3.93Å; H111-W516 PolarHBondContact NE2-O 3.49Å; H111-I522 HydrophobicContact CB-CD1 3.97Å; H111-I522 HydrophobicContact CB-CG1 4.44Å
112	G	94.2	Very high	93.5	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.031	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	-17.8	-175.7	0	0	0	0	0	115.1	A90 Q110 I114 S520	A90-G112 PolarHBondContact O-N 3.36Å; Q110-G112 PolarHBondContact O-N 3.03Å; G112-I114 PolarHBondContact O-N 3.29Å; G112-S520 VanDerWaalsContact CA-O 3.22Å; G112-S520 WeakPolarHBondContact CA-O 3.42Å
113	D	94.5	Very high	93.6	Very high	32 Å²	32	49 Å²	49	17%	0.171	26%	0.257	C	S	.	.			trans	-58.9	137.2	178.5	-90.3	-22.3	0	0	0	111.3	A90 F109 Q110 L115 R130	A90-D113 HydrophobicContact CB-CB 4.37Å; A90-D113 PolarHBondContact N-O 3.13Å; F109-D113 VanDerWaalsContact CA-OD2 3.25Å; F109-D113 WeakPolarHBondContact CA-OD2 3.4Å; F109-D113 HydrophobicContact CB-CB 3.99Å; F109-D113 WeakPolarHBondContact CB-OD2 3.29Å; Q110-D113 PolarHBondContact N-OD2 3.28Å; Q110-D113 VanDerWaalsContact O-CB 3.32Å; Q110-D113 WeakPolarHBondContact O-CB 3.34Å; Q110-D113 PolarHBondContact O-N 2.85Å; D113-L115 HydrophobicContact CB-CD2 4.36Å; D113-R130 WeakPolarHBondContact OD1-CD 3.08Å; D113-R130 IonicContact OD1-NH1 3.74Å; D113-R130 WeakPolarHBondContact OD2-CD 3.47Å; D113-R130 IonicContact OD2-CZ 3.03Å; D113-R130 IonicContact OD2-NE 3.4Å; D113-R130 IonicContact OD2-NH1 2.82Å; D113-R130 PolarHBondContact OD2-NH1 3.07Å
114	I	94.7	Very high	93.6	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.051	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.2	174.9	-54	-57.9	0	0	0	109.1	R89 G112 I131 W548	R89-I114 HydrophobicContact CB-CD1 3.83Å; R89-I114 HydrophobicContact CG-CD1 4.14Å; G112-I114 PolarHBondContact O-N 3.29Å; I114-I131 HydrophobicContact CB-CB 4.17Å; I114-I131 HydrophobicContact CG2-CB 4.11Å; I114-I131 HydrophobicContact CG2-CG1 4.22Å; I114-I131 HydrophobicContact CG2-CG2 4.41Å; I114-I131 WeakPolarHBondContact O-CB 3.49Å; I114-I131 PolarHBondContact O-N 3.17Å; I114-W548 HydrophobicContact CD1-CB 3.72Å; I114-W548 HydrophobicContact CD1-CD2 4.45Å; I114-W548 HydrophobicContact CD1-CG 3.82Å; I114-W548 HydrophobicContact CG1-CB 4.2Å; I114-W548 HydrophobicContact CG1-CD2 4.37Å; I114-W548 HydrophobicContact CG1-CG 3.79Å; I114-W548 HydrophobicContact CG2-CD2 3.81Å; I114-W548 HydrophobicContact CG2-CE3 4.12Å; I114-W548 HydrophobicContact CG2-CG 4.15Å
115	L	95.5	Very high	93.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.1	-176.8	-50.7	178	0	0	0	109.7	Y87 V88 A90 L107 F109 D113 V117 R130 I177 Y355	Y87-L115 WeakPolarHBondContact CA-O 3.46Å; V88-L115 HydrophobicContact CG2-CB 3.92Å; V88-L115 HydrophobicContact CG2-CD1 4.47Å; V88-L115 PolarHBondContact N-O 2.83Å; V88-L115 PolarHBondContact O-N 3.42Å; A90-L115 HydrophobicContact CB-CD1 4.48Å; L107-L115 HydrophobicContact CD2-CD2 4.3Å; F109-L115 HydrophobicContact CB-CD2 4.06Å; F109-L115 HydrophobicContact CD1-CD1 3.72Å; F109-L115 HydrophobicContact CD1-CD2 4.41Å; F109-L115 HydrophobicContact CD2-CD1 4.41Å; F109-L115 HydrophobicContact CE1-CD1 3.9Å; F109-L115 HydrophobicContact CG-CD1 3.99Å; F109-L115 HydrophobicContact CG-CD2 4.37Å; F109-L115 HydrophobicContact CZ-CD1 4.32Å; D113-L115 HydrophobicContact CB-CD2 4.36Å; L115-V117 PolarHBondContact O-N 3.13Å; L115-R130 HydrophobicContact CD2-CB 4.01Å; L115-R130 HydrophobicContact CD2-CG 4.17Å; L115-I177 HydrophobicContact CD1-CD1 3.85Å; L115-Y355 HydrophobicContact CD1-CE1 4.02Å
116	H	95.4	Very high	93.9	Very high	24 Å²	24	36.6 Å²	36.6	11%	0.111	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	105.8	162.7	-176.2	-179.6	0	0	0	107.8	Y87 V118 A128 K129 I131	Y87-H116 HydrophobicContact CD1-CB 3.75Å; Y87-H116 AromaticContact CD1-CG 3.95Å; Y87-H116 HydrophobicContact CE1-CB 3.44Å; Y87-H116 VanDerWaalsContact CE1-CB 3.44Å; Y87-H116 AromaticContact CE1-CD2 3.71Å; Y87-H116 AromaticContact CE1-CG 3.3Å; Y87-H116 AromaticContact CE1-ND1 3.61Å; Y87-H116 AromaticContact CZ-CD2 3.94Å; Y87-H116 AromaticContact CZ-CE1 3.95Å; Y87-H116 AromaticContact CZ-CG 3.84Å; Y87-H116 AromaticContact CZ-ND1 3.83Å; Y87-H116 PolarHBondContact OH-CE1 3.04Å; Y87-H116 PolarHBondContact OH-ND1 2.81Å; H116-V118 PolarHBondContact O-N 3.38Å; H116-A128 CarbonylContact O-C 3.51Å; H116-A128 WeakPolarHBondContact O-CA 3.27Å; H116-A128 WeakPolarHBondContact O-CB 3.4Å; H116-K129 HydrophobicContact CB-CG 3.96Å; H116-K129 PolarHBondContact N-O 2.92Å; H116-K129 PolarHBondContact O-N 2.87Å; H116-I131 HydrophobicContact CB-CD1 4.11Å; H116-I131 HydrophobicContact CB-CG1 4.3Å
117	V	95.5	Very high	94	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	107	168	-177.7	0	0	0	0	107.9	T85 M86 V88 L115 A120 W126 Q127 A128 I177	T85-V117 VanDerWaalsContact CA-O 3.27Å; T85-V117 WeakPolarHBondContact CA-O 3.38Å; M86-V117 HydrophobicContact CG-CB 3.82Å; M86-V117 HydrophobicContact CG-CG1 4.34Å; M86-V117 HydrophobicContact CG-CG2 4.34Å; M86-V117 PolarHBondContact N-O 3.45Å; M86-V117 PolarHBondContact O-N 2.82Å; V88-V117 HydrophobicContact CG2-CG2 3.93Å; L115-V117 PolarHBondContact O-N 3.13Å; V117-A120 HydrophobicContact CG1-CB 3.85Å; V117-W126 HydrophobicContact CG1-CB 3.97Å; V117-W126 HydrophobicContact CG1-CD2 4.29Å; V117-W126 HydrophobicContact CG1-CE3 4.21Å; V117-W126 HydrophobicContact CG1-CG 4.25Å; V117-W126 HydrophobicContact CG2-CE3 4.12Å; V117-Q127 CarbonylContact C-O 3.59Å; V117-A128 HydrophobicContact CG2-CB 4.37Å; V117-I177 HydrophobicContact CG2-CD1 4.04Å
118	V	93.7	Very high	94	Very high	48 Å²	48	38.8 Å²	38.8	29%	0.291	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-25.5	-178.9	-176.8	0	0	0	0	111	T85 H116 Q127 L174	T85-V118 WeakPolarHBondContact CG2-O 3.45Å; H116-V118 PolarHBondContact O-N 3.38Å; V118-Q127 PolarHBondContact N-O 3.12Å; V118-L174 HydrophobicContact CB-CD1 4.25Å; V118-L174 HydrophobicContact CG2-CD1 3.91Å
119	N	93.1	Very high	93.9	Very high	23 Å²	23	37.7 Å²	37.7	12%	0.123	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	116.1	169.3	-172.7	19	0	0	0	112.4	S121 W126 Q127	N119-S121 PolarHBondContact ND2-OG 2.87Å; N119-S121 WeakPolarHBondContact OD1-CB 3.44Å; N119-S121 PolarHBondContact OD1-N 3.01Å; N119-S121 PolarHBondContact OD1-OG 2.87Å; N119-S121 VanDerWaalsContact OD1-OG 3.1Å; N119-W126 WeakPolarHBondContact O-CA 3.43Å; N119-Q127 HydrophobicContact CB-CB 4.06Å; N119-Q127 HydrophobicContact CB-CG 4.32Å; N119-Q127 PolarHBondContact N-O 3.07Å; N119-Q127 VanDerWaalsContact N-O 3.1Å; N119-Q127 PolarHBondContact O-N 3.03Å
120	A	92.4	Very high	93.9	Very high	18 Å²	18	42.7 Å²	42.7	15%	0.149	20%	0.203	C	C	.	.			trans	-101.1	16.7	174.3	0	0	0	0	0	114.3	K84 M86 V117 W126	K84-A120 HydrophobicContact CB-CB 4.41Å; K84-A120 PolarHBondContact O-N 2.74Å; K84-A120 VanDerWaalsContact O-N 3.14Å; M86-A120 HydrophobicContact SD-CB 3.98Å; V117-A120 HydrophobicContact CG1-CB 3.85Å; A120-W126 HydrophobicContact CB-CD2 4.18Å; A120-W126 HydrophobicContact CB-CG 4.35Å; A120-W126 HydrophobicContact CB-CZ2 4.36Å; A120-W126 PolarHBondContact O-NE1 3.45Å
121	S	89.2	Confident	93.7	Very high	52 Å²	52	37.8 Å²	37.8	36%	0.364	18%	0.181	S	C	.	.			trans	-70.6	-28.8	-172.7	68.2	0	0	0	0	115.3	T81 N119	T81-S121 WeakPolarHBondContact OG1-CB 3.36Å; N119-S121 PolarHBondContact ND2-OG 2.87Å; N119-S121 WeakPolarHBondContact OD1-CB 3.44Å; N119-S121 PolarHBondContact OD1-N 3.01Å; N119-S121 PolarHBondContact OD1-OG 2.87Å; N119-S121 VanDerWaalsContact OD1-OG 3.1Å
122	D	90.7	Very high	92.8	Very high	78 Å²	78	40.7 Å²	40.7	42%	0.417	20%	0.202	S	C	.	.	S	Bend	trans	-90.2	144.6	-175.2	174.7	-52.2	0	0	0	111	E124 W125 W126	D122-E124 WeakPolarHBondContact OD1-CA 3.46Å; D122-E124 PolarHBondContact OD1-N 2.81Å; D122-W125 VanDerWaalsContact CB-O 3.29Å; D122-W125 WeakPolarHBondContact CB-O 3.39Å; D122-W125 PolarHBondContact OD1-N 3.23Å; D122-W126 VanDerWaalsContact O-CD1 3.3Å; D122-W126 PolarHBondContact O-NE1 2.98Å; D122-W126 VanDerWaalsContact O-NE1 3.13Å
123	R	91	Very high	91.4	Very high	137 Å²	137	45.2 Å²	45.2	52%	0.517	23%	0.225	S	C	.	.	S	Bend	trans	-79.7	-22.8	-172.5	-67.3	176.3	177.8	-91.5	-0.5	113.4	N61 S179 Q181	N61-R123 PolarHBondContact ND2-NH1 3.16Å; N61-R123 VanDerWaalsContact OD1-CZ 3.24Å; N61-R123 PolarHBondContact OD1-NH1 2.81Å; N61-R123 PolarHBondContact OD1-NH2 3.3Å; R123-S179 PolarHBondContact O-OG 3.34Å; R123-Q181 WeakPolarHBondContact O-CB 3.36Å
124	E	92.4	Very high	89.7	Confident	50 Å²	50	46.4 Å²	46.4	23%	0.234	23%	0.234	C	C	.	.	S	Bend	trans	-104.4	-37.8	179.7	-75.7	-73.7	135.5	0	0	111.9	D122 S179 R182 R185	D122-E124 WeakPolarHBondContact OD1-CA 3.46Å; D122-E124 PolarHBondContact OD1-N 2.81Å; E124-S179 PolarHBondContact O-N 2.86Å; E124-R182 VanDerWaalsContact O-CB 3.3Å; E124-R182 WeakPolarHBondContact O-CB 3.45Å; E124-R182 WeakPolarHBondContact O-CD 3.2Å; E124-R182 WeakPolarHBondContact OE2-CD 3.43Å; E124-R182 WeakPolarHBondContact OE2-CG 3.33Å; E124-R182 IonicContact OE2-CZ 2.85Å; E124-R182 IonicContact OE2-NE 2.96Å; E124-R182 IonicContact OE2-NH1 3.69Å; E124-R182 PolarHBondContact OE2-NH1 2.9Å; E124-R185 IonicContact OE1-CZ 3.65Å; E124-R185 VanDerWaalsContact OE1-CZ 3.26Å; E124-R185 IonicContact OE1-NE 3.69Å; E124-R185 PolarHBondContact OE1-NE 3.39Å; E124-R185 IonicContact OE1-NH2 3.15Å; E124-R185 PolarHBondContact OE1-NH2 3.28Å; E124-R185 IonicContact OE2-CZ 2.89Å; E124-R185 IonicContact OE2-NE 2.78Å; E124-R185 IonicContact OE2-NH2 3.85Å; E124-R185 PolarHBondContact OE2-NH2 2.9Å
125	W	94.6	Very high	87.8	Confident	28 Å²	28	48.6 Å²	48.6	11%	0.106	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.8	-165.1	-65.4	118.8	0	0	0	112.7	D99 G101 L102 P103 D122 I176 P178 R182	D99-W125 WeakPolarHBondContact OD2-CH2 3.28Å; G101-W125 VanDerWaalsContact O-CZ2 3.27Å; G101-W125 WeakPolarHBondContact O-CZ2 3.28Å; G101-W125 PolarHBondContact O-NE1 2.9Å; L102-W125 HydrophobicContact CB-CH2 4.35Å; L102-W125 HydrophobicContact CB-CZ2 4.4Å; L102-W125 HydrophobicContact CD1-CH2 3.67Å; L102-W125 HydrophobicContact CD1-CZ2 4.22Å; L102-W125 HydrophobicContact CG-CH2 3.58Å; L102-W125 HydrophobicContact CG-CZ2 4.09Å; L102-W125 HydrophobicContact CG-CZ3 4.21Å; P103-W125 HydrophobicContact CG-CB 4.34Å; P103-W125 HydrophobicContact CG-CD2 4.41Å; P103-W125 HydrophobicContact CG-CG 3.95Å; D122-W125 VanDerWaalsContact CB-O 3.29Å; D122-W125 WeakPolarHBondContact CB-O 3.39Å; D122-W125 PolarHBondContact OD1-N 3.23Å; W125-I176 HydrophobicContact CB-CG2 3.85Å; W125-I176 HydrophobicContact CD2-CG2 3.77Å; W125-I176 HydrophobicContact CE3-CG2 3.33Å; W125-I176 HydrophobicContact CG-CG2 4.03Å; W125-I176 HydrophobicContact CZ3-CG2 4Å; W125-P178 HydrophobicContact CE3-CB 4.41Å; W125-P178 HydrophobicContact CZ3-CB 4.1Å; W125-R182 VanDerWaalsContact CH2-CZ 3.46Å
126	W	95.7	Very high	86	Confident	19 Å²	19	50.5 Å²	50.5	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	144.1	175.8	-67.8	-11.7	0	0	0	111.1	V57 V117 N119 A120 D122 I176 I177 C180 Y355	V57-W126 HydrophobicContact CB-CH2 4.48Å; V57-W126 HydrophobicContact CG1-CH2 4.18Å; V117-W126 HydrophobicContact CG1-CB 3.97Å; V117-W126 HydrophobicContact CG1-CD2 4.29Å; V117-W126 HydrophobicContact CG1-CE3 4.21Å; V117-W126 HydrophobicContact CG1-CG 4.25Å; V117-W126 HydrophobicContact CG2-CE3 4.12Å; N119-W126 WeakPolarHBondContact O-CA 3.43Å; A120-W126 HydrophobicContact CB-CD2 4.18Å; A120-W126 HydrophobicContact CB-CG 4.35Å; A120-W126 HydrophobicContact CB-CZ2 4.36Å; A120-W126 PolarHBondContact O-NE1 3.45Å; D122-W126 VanDerWaalsContact O-CD1 3.3Å; D122-W126 PolarHBondContact O-NE1 2.98Å; D122-W126 VanDerWaalsContact O-NE1 3.13Å; W126-I176 WeakPolarHBondContact O-CA 3.36Å; W126-I177 HydrophobicContact CB-CD1 4.46Å; W126-I177 HydrophobicContact CB-CG1 3.86Å; W126-I177 HydrophobicContact CE3-CD1 4.5Å; W126-I177 PolarHBondContact N-O 3.1Å; W126-I177 PolarHBondContact O-N 2.77Å; W126-C180 HydrophobicContact CH2-CB 4.03Å; W126-C180 HydrophobicContact CZ2-CB 4.42Å; W126-Y355 HydrophobicContact CE3-CD2 4.31Å; W126-Y355 HydrophobicContact CE3-CE2 4.12Å; W126-Y355 HydrophobicContact CH2-CD2 4.46Å; W126-Y355 AromaticContact CZ3-CD2 3.66Å; W126-Y355 HydrophobicContact CZ3-CD2 3.66Å; W126-Y355 AromaticContact CZ3-CE2 3.9Å; W126-Y355 HydrophobicContact CZ3-CE2 3.9Å
127	Q	95.5	Very high	83.9	Confident	80 Å²	80	50.6 Å²	50.6	37%	0.374	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.8	172.7	-59.2	179.4	-51.8	0	0	108.6	V117 V118 N119 I176	V117-Q127 CarbonylContact C-O 3.59Å; V118-Q127 PolarHBondContact N-O 3.12Å; N119-Q127 HydrophobicContact CB-CB 4.06Å; N119-Q127 HydrophobicContact CB-CG 4.32Å; N119-Q127 PolarHBondContact N-O 3.07Å; N119-Q127 VanDerWaalsContact N-O 3.1Å; N119-Q127 PolarHBondContact O-N 3.03Å; Q127-I176 HydrophobicContact CG-CD1 3.85Å
128	A	95.9	Very high	81.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.9	-177.4	0	0	0	0	0	112.8	L107 H116 V117 L174 G175 I177	L107-A128 HydrophobicContact CD2-CB 4.18Å; H116-A128 CarbonylContact O-C 3.51Å; H116-A128 WeakPolarHBondContact O-CA 3.27Å; H116-A128 WeakPolarHBondContact O-CB 3.4Å; V117-A128 HydrophobicContact CG2-CB 4.37Å; A128-L174 WeakPolarHBondContact O-CA 3.43Å; A128-G175 PolarHBondContact N-O 3.27Å; A128-G175 PolarHBondContact O-N 3.02Å; A128-I177 HydrophobicContact CB-CD1 3.67Å; A128-I177 HydrophobicContact CB-CG1 4.04Å; A128-I177 HydrophobicContact CB-CG2 4.26Å
129	K	94.8	Very high	79.4	Confident	51 Å²	51	60.9 Å²	60.9	22%	0.222	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.9	160	68	162.4	-174.5	161	0	109.8	H116 G173	H116-K129 HydrophobicContact CB-CG 3.96Å; H116-K129 PolarHBondContact N-O 2.92Å; H116-K129 PolarHBondContact O-N 2.87Å; K129-G173 WeakPolarHBondContact CA-O 3.4Å; K129-G173 WeakPolarHBondContact CB-O 3.41Å
130	R	93.9	Very high	77.1	Confident	112 Å²	112	62.2 Å²	62.2	42%	0.423	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	144.5	165.8	-176.1	167.1	65.6	-177.8	2.7	109.1	L107 D113 L115	L107-R130 HydrophobicContact CD1-CB 4.42Å; L107-R130 HydrophobicContact CD2-CB 4.46Å; D113-R130 WeakPolarHBondContact OD1-CD 3.08Å; D113-R130 IonicContact OD1-NH1 3.74Å; D113-R130 WeakPolarHBondContact OD2-CD 3.47Å; D113-R130 IonicContact OD2-CZ 3.03Å; D113-R130 IonicContact OD2-NE 3.4Å; D113-R130 IonicContact OD2-NH1 2.82Å; D113-R130 PolarHBondContact OD2-NH1 3.07Å; L115-R130 HydrophobicContact CD2-CB 4.01Å; L115-R130 HydrophobicContact CD2-CG 4.17Å
131	I	89.9	Confident	74.8	Confident	18 Å²	18	66 Å²	66	9%	0.092	35%	0.345	C	S	.	.			trans	-94.3	126.4	172.8	-67.3	-60.3	0	0	0	108	I114 H116 D136 F137	I114-I131 HydrophobicContact CB-CB 4.17Å; I114-I131 HydrophobicContact CG2-CB 4.11Å; I114-I131 HydrophobicContact CG2-CG1 4.22Å; I114-I131 HydrophobicContact CG2-CG2 4.41Å; I114-I131 WeakPolarHBondContact O-CB 3.49Å; I114-I131 PolarHBondContact O-N 3.17Å; H116-I131 HydrophobicContact CB-CD1 4.11Å; H116-I131 HydrophobicContact CB-CG1 4.3Å; I131-D136 HydrophobicContact CD1-CB 3.98Å; I131-F137 HydrophobicContact CB-CE2 4.4Å; I131-F137 HydrophobicContact CB-CZ 4.37Å; I131-F137 HydrophobicContact CD1-CE1 4.47Å; I131-F137 HydrophobicContact CD1-CE2 3.99Å; I131-F137 HydrophobicContact CD1-CZ 3.73Å; I131-F137 HydrophobicContact CG1-CE2 4.18Å; I131-F137 HydrophobicContact CG1-CZ 3.76Å; I131-F137 HydrophobicContact CG2-CE2 3.39Å; I131-F137 HydrophobicContact CG2-CZ 3.76Å
132	S	75.9	Confident	72.6	Confident	71 Å²	71	70.8 Å²	70.8	50%	0.497	36%	0.361	S	S	.	.			trans	-113.3	-26.6	-175.7	35.1	0	0	0	0	113.5	D136 L541	S132-D136 PolarHBondContact N-OD2 2.79Å; S132-D136 PolarHBondContact OG-OD2 3.36Å; S132-L541 VanDerWaalsContact O-CD1 3.25Å; S132-L541 WeakPolarHBondContact O-CD1 3.4Å
133	L	66.3	Low	70.1	Confident	99 Å²	99	70 Å²	70	52%	0.518	37%	0.371	S	S	.	.	S	Bend	trans	-143.6	156.2	176.8	-69.5	172.4	0	0	0	110.2	S135 D136 L541	L133-S135 WeakPolarHBondContact CB-OG 3.29Å; L133-S135 PolarHBondContact O-N 3.36Å; L133-D136 PolarHBondContact N-OD2 3.3Å; L133-D136 WeakPolarHBondContact O-CB 3.29Å; L133-D136 PolarHBondContact O-N 2.87Å; L133-L541 HydrophobicContact CD2-CD1 4.38Å
134	V	59	Low	67.5	Low	57 Å²	57	71.4 Å²	71.4	35%	0.345	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24	173	173.9	0	0	0	0	111.9	D136 F137 V546	V134-D136 PolarHBondContact O-N 2.87Å; V134-F137 WeakPolarHBondContact O-CD2 3.29Å; V134-F137 PolarHBondContact O-N 3.38Å; V134-V546 HydrophobicContact CG1-CB 3.66Å; V134-V546 HydrophobicContact CG1-CG1 4.16Å; V134-V546 HydrophobicContact CG1-CG2 3.79Å; V134-V546 HydrophobicContact CG2-CB 4.12Å
135	S	54.1	Low	64.6	Low	56 Å²	56	74.2 Å²	74.2	39%	0.392	42%	0.415	S	S	.	.	H	α-helix	trans	-67.3	-11.2	171.7	49.7	0	0	0	0	114.1	L133 F137 N139	L133-S135 WeakPolarHBondContact CB-OG 3.29Å; L133-S135 PolarHBondContact O-N 3.36Å; S135-F137 PolarHBondContact O-N 3.46Å; S135-N139 PolarHBondContact O-ND2 2.83Å
136	D	56.7	Low	61.6	Low	39 Å²	39	82.1 Å²	82.1	21%	0.209	46%	0.455	C	S	.	.	H	α-helix	trans	-67	-11.2	171.2	-74	-50.7	0	0	0	113.3	I131 S132 L133 V134	I131-D136 HydrophobicContact CD1-CB 3.98Å; S132-D136 PolarHBondContact N-OD2 2.79Å; S132-D136 PolarHBondContact OG-OD2 3.36Å; L133-D136 PolarHBondContact N-OD2 3.3Å; L133-D136 WeakPolarHBondContact O-CB 3.29Å; L133-D136 PolarHBondContact O-N 2.87Å; V134-D136 PolarHBondContact O-N 2.87Å
137	F	52.6	Low	58.7	Low	26 Å²	26	89.1 Å²	89.1	11%	0.114	49%	0.488	C	S	.	.	H	α-helix	trans	-95.4	-43.9	-176	-70.5	-90.3	0	0	0	114.2	Y87 I131 V134 S135 N139 A140 T141 W548	Y87-F137 AromaticContact CD1-CE1 3.71Å; Y87-F137 HydrophobicContact CD1-CE1 3.71Å; Y87-F137 HydrophobicContact CD1-CZ 4.1Å; Y87-F137 HydrophobicContact CE1-CD1 4.12Å; Y87-F137 AromaticContact CE1-CE1 3.22Å; Y87-F137 HydrophobicContact CE1-CE1 3.22Å; Y87-F137 AromaticContact CE1-CZ 3.87Å; Y87-F137 HydrophobicContact CE1-CZ 3.87Å; Y87-F137 HydrophobicContact CE2-CE1 4.16Å; Y87-F137 HydrophobicContact CG-CE1 4.35Å; Y87-F137 AromaticContact CZ-CD1 3.99Å; Y87-F137 AromaticContact CZ-CE1 3.49Å; Y87-F137 VanDerWaalsContact CZ-CE1 3.49Å; I131-F137 HydrophobicContact CB-CE2 4.4Å; I131-F137 HydrophobicContact CB-CZ 4.37Å; I131-F137 HydrophobicContact CD1-CE1 4.47Å; I131-F137 HydrophobicContact CD1-CE2 3.99Å; I131-F137 HydrophobicContact CD1-CZ 3.73Å; I131-F137 HydrophobicContact CG1-CE2 4.18Å; I131-F137 HydrophobicContact CG1-CZ 3.76Å; I131-F137 HydrophobicContact CG2-CE2 3.39Å; I131-F137 HydrophobicContact CG2-CZ 3.76Å; V134-F137 WeakPolarHBondContact O-CD2 3.29Å; V134-F137 PolarHBondContact O-N 3.38Å; S135-F137 PolarHBondContact O-N 3.46Å; F137-N139 PolarHBondContact O-N 3.39Å; F137-A140 WeakPolarHBondContact O-CA 3.47Å; F137-A140 WeakPolarHBondContact O-CB 3.39Å; F137-A140 PolarHBondContact O-N 2.69Å; F137-T141 PolarHBondContact O-N 3.26Å; F137-T141 VanDerWaalsContact O-N 3.15Å; F137-T141 PolarHBondContact O-OG1 3.06Å; F137-W548 HydrophobicContact CD1-CH2 4.16Å; F137-W548 HydrophobicContact CD1-CZ2 4.12Å; F137-W548 HydrophobicContact CD2-CZ2 4.27Å; F137-W548 AromaticContact CE1-CH2 3.25Å; F137-W548 HydrophobicContact CE1-CH2 3.25Å; F137-W548 AromaticContact CE1-CZ2 3.3Å; F137-W548 HydrophobicContact CE1-CZ2 3.3Å; F137-W548 HydrophobicContact CE1-CZ3 4.47Å; F137-W548 HydrophobicContact CE2-CH2 4.31Å; F137-W548 AromaticContact CE2-CZ2 3.49Å; F137-W548 HydrophobicContact CE2-CZ2 3.49Å; F137-W548 VanDerWaalsContact CE2-CZ2 3.49Å; F137-W548 AromaticContact CZ-CE2 3.85Å; F137-W548 AromaticContact CZ-CH2 3.39Å; F137-W548 HydrophobicContact CZ-CH2 3.39Å; F137-W548 AromaticContact CZ-CZ2 2.96Å; F137-W548 HydrophobicContact CZ-CZ2 2.96Å
138	E	48.9	Very low	55.7	Low	132 Å²	132	90.3 Å²	90.3	62%	0.617	51%	0.505	S	S	*	.	H	α-helix	trans	-62.5	-37.8	-179.2	-60.9	179.2	147.1	0	0	110.8	A140 T141 H142	E138-A140 PolarHBondContact O-N 2.98Å; E138-T141 PolarHBondContact O-N 3.06Å; E138-T141 PolarHBondContact O-OG1 3.17Å; E138-H142 PolarHBondContact O-N 2.85Å; E138-H142 PolarHBondContact O-ND1 2.76Å
139	N	44.8	Very low	52.9	Low	132 Å²	132	96.5 Å²	96.5	71%	0.706	54%	0.543	S	S	*	.	H	α-helix	trans	-66.6	-20.7	171.6	-70.4	-62.5	0	0	0	113.9	S135 F137	S135-N139 PolarHBondContact O-ND2 2.83Å; F137-N139 PolarHBondContact O-N 3.39Å
140	A	44.8	Very low	49.9	Very low	52 Å²	52	100.3 Å²	100.3	43%	0.43	57%	0.571	S	S	.	*	H	α-helix	trans	-89.5	-25	179.5	0	0	0	0	0	113.1	F137 E138	F137-A140 WeakPolarHBondContact O-CA 3.47Å; F137-A140 WeakPolarHBondContact O-CB 3.39Å; F137-A140 PolarHBondContact O-N 2.69Å; E138-A140 PolarHBondContact O-N 2.98Å
141	T	45.4	Very low	47.5	Very low	98 Å²	98	103 Å²	103	60%	0.601	59%	0.594	S	S	*	*	H	α-helix	trans	-89.1	-27.4	-179.5	48.9	0	0	0	0	113.9	F137 E138	F137-T141 PolarHBondContact O-N 3.26Å; F137-T141 VanDerWaalsContact O-N 3.15Å; F137-T141 PolarHBondContact O-OG1 3.06Å; E138-T141 PolarHBondContact O-N 3.06Å; E138-T141 PolarHBondContact O-OG1 3.17Å
142	H	42.4	Very low	44.9	Very low	152 Å²	152	109.3 Å²	109.3	70%	0.704	63%	0.628	S	S	*	*	S	Bend	trans	-93	-2.8	-175.6	-65.5	89.5	0	0	0	115.3	E138 N144	E138-H142 PolarHBondContact O-N 2.85Å; E138-H142 PolarHBondContact O-ND1 2.76Å; H142-N144 PolarHBondContact O-N 2.74Å
143	G	38.7	Very low	43.2	Very low	61 Å²	61	113 Å²	113	63%	0.629	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	5.2	-170.3	0	0	0	0	0	117.9
144	N	36.3	Very low	41.9	Very low	166 Å²	166	115.1 Å²	115.1	89%	0.888	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	23	-170.2	-78.9	-16.8	0	0	0	114.9	H142	H142-N144 PolarHBondContact O-N 2.74Å
145	S	31.7	Very low	41	Very low	110 Å²	110	120.2 Å²	120.2	77%	0.769	68%	0.684	S	S	*	*			trans	-109.5	86.7	172.3	-164.5	0	0	0	0	111.3	H147	S145-H147 PolarHBondContact O-N 2.78Å
146	M	31.3	Very low	40.1	Very low	193 Å²	193	124.9 Å²	124.9	95%	0.951	71%	0.705	S	S	*	*			trans	-82.2	108	169.3	-89.4	-81.6	172.4	0	0	109.6
147	H	35.2	Very low	39.4	Very low	166 Å²	166	129.9 Å²	129.9	77%	0.769	74%	0.737	S	S	*	*			trans	-131.4	117.7	157.2	-151.5	-55.4	0	0	0	110.1	S145	S145-H147 PolarHBondContact O-N 2.78Å
148	S	31.3	Very low	38.6	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	77%	0.767	S	S	*	*			trans	-86	126.9	176.2	52.9	0	0	0	0	110.7
149	T	37.2	Very low	37.9	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	78%	0.775	S	S	*	*			trans	-138.1	113.7	157.2	45.6	0	0	0	0	107.9
150	T	32.9	Very low	37.4	Very low	132 Å²	132	134.8 Å²	134.8	81%	0.81	78%	0.775	S	S	*	*			trans	-77.8	140.9	173.7	46.6	0	0	0	0	110.7
151	D	42	Very low	36.7	Very low	167 Å²	167	139.3 Å²	139.3	89%	0.893	79%	0.792	S	S	*	*			trans	-149.8	147.9	147	-105.9	-39.2	0	0	0	111.3
152	N	35.1	Very low	36	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	80%	0.802	S	S	*	*			trans	-102.5	143.1	-178.2	-78.7	-50.5	0	0	0	111.1
153	T	40.8	Very low	35.5	Very low	147 Å²	147	142.6 Å²	142.6	90%	0.902	81%	0.81	S	S	*	*			trans	-166	158.7	131.5	9.2	0	0	0	0	112.4
154	N	38.3	Very low	35	Very low	144 Å²	144	145.8 Å²	145.8	77%	0.77	82%	0.818	S	S	*	*			trans	-88	156.3	-173.8	-54.1	-49.8	0	0	0	112.4
155	N	41.6	Very low	34.6	Very low	164 Å²	164	143.7 Å²	143.7	88%	0.877	82%	0.816	S	S	*	*				-174.8	150.1	108.4	-91.3	-28.6	0	0	0	113.4
156	N	35.4	Very low	34.7	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	82%	0.815	S	S	*	*			trans	-86.1	144.1	176.2	-67.1	-43.4	0	0	0	111.7
157	T	41.4	Very low	34.6	Very low	144 Å²	144	140.8 Å²	140.8	88%	0.883	81%	0.808	S	S	*	*			trans	-151.4	138.6	146.5	-67.1	0	0	0	0	108.6
158	I	35.6	Very low	34.3	Very low	143 Å²	143	140.9 Å²	140.9	73%	0.733	81%	0.813	S	S	*	*			trans	-104.4	129.1	-178.7	-62.9	164	0	0	0	108.3
159	N	34.2	Very low	34.1	Very low	150 Å²	150	139.5 Å²	139.5	80%	0.802	80%	0.803	S	S	*	*			trans	173.8	165.2	133.7	-97.1	-50.7	0	0	0	115.3
160	S	34.6	Very low	34.1	Very low	100 Å²	100	139.5 Å²	139.5	70%	0.699	81%	0.809	S	S	*	*			trans	61.9	99.8	160.8	57.6	0	0	0	0	120.6
161	N	29.7	Very low	34.7	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	80%	0.798	S	S	*	*				45.8	136.7	123.2	-61.2	-5.4	0	0	0	122.5
162	T	30.2	Very low	35.4	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	79%	0.787	S	S	*	*			trans	59.6	73	149.8	49.3	0	0	0	0	117.9
163	Q	31.3	Very low	37.7	Very low	188 Å²	188	130.6 Å²	130.6	88%	0.879	77%	0.77	S	S	*	*			trans	-153.9	158.4	140.8	-124	154.9	87.6	0	0	114.9	S165	Q163-S165 PolarHBondContact O-N 2.98Å
164	T	29.5	Very low	40.1	Very low	128 Å²	128	127.4 Å²	127.4	79%	0.785	75%	0.747	S	S	*	*			trans	-63.6	106.8	-174.6	44.2	0	0	0	0	113.6	A166	T164-A166 VanDerWaalsContact C-N 3.27Å; T164-A166 PolarHBondContact O-N 2.75Å
165	S	28	Very low	42.8	Very low	122 Å²	122	120.9 Å²	120.9	85%	0.853	71%	0.714	S	S	*	*			trans	-79.1	66.6	173.2	38.4	0	0	0	0	112.6	Q163 L167	Q163-S165 PolarHBondContact O-N 2.98Å; S165-L167 PolarHBondContact O-N 3.33Å
166	A	33.4	Very low	45.3	Very low	92 Å²	92	113.7 Å²	113.7	76%	0.76	68%	0.675	S	S	*	*			trans	-91.6	61.1	179.4	0	0	0	0	0	112.6	T164	T164-A166 VanDerWaalsContact C-N 3.27Å; T164-A166 PolarHBondContact O-N 2.75Å
167	L	29.9	Very low	48.3	Very low	150 Å²	150	106.3 Å²	106.3	79%	0.785	64%	0.636	S	S	*	*			trans	-134.8	133.9	178.2	-76.7	172.9	0	0	0	112.8	S165	S165-L167 PolarHBondContact O-N 3.33Å
168	L	28.1	Very low	50.9	Low	169 Å²	169	99.5 Å²	99.5	89%	0.885	59%	0.594	S	S	*	*			trans	58.7	73.1	152.6	-57.5	171.7	0	0	0	118.3
169	S	26.5	Very low	53.7	Low	75 Å²	75	92.7 Å²	92.7	52%	0.524	56%	0.559	S	S	.	*			trans	-145.1	111.4	146.6	48.6	0	0	0	0	111.5	T171 N172	S169-T171 PolarHBondContact O-N 2.87Å; S169-N172 PolarHBondContact OG-ND2 3.37Å
170	S	37.6	Very low	56.5	Low	131 Å²	131	86.4 Å²	86.4	92%	0.916	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	7.3	-168.7	48.6	0	0	0	0	115.4
171	T	46.2	Very low	59.1	Low	94 Å²	94	84.4 Å²	84.4	58%	0.577	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-18.4	-173.5	49.6	0	0	0	0	114.6	S169 G173 L174	S169-T171 PolarHBondContact O-N 2.87Å; T171-G173 PolarHBondContact O-N 3.46Å; T171-L174 PolarHBondContact O-N 2.88Å; T171-L174 VanDerWaalsContact O-N 3.07Å
172	N	56.4	Low	62.2	Low	125 Å²	125	77.9 Å²	77.9	67%	0.668	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-4.9	-166.2	-87	-15.5	0	0	0	116.5	S169	S169-N172 PolarHBondContact OG-ND2 3.37Å
173	G	83.2	Confident	65.1	Low	44 Å²	44	71.7 Å²	71.7	45%	0.454	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	2.7	174.5	0	0	0	0	0	115.4	K129 T171	K129-G173 WeakPolarHBondContact CA-O 3.4Å; K129-G173 WeakPolarHBondContact CB-O 3.41Å; T171-G173 PolarHBondContact O-N 3.46Å
174	L	91.6	Very high	67.8	Low	80 Å²	80	64.8 Å²	64.8	42%	0.419	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135	-178.7	-167.5	77.7	0	0	0	111.1	V118 A128 T171	V118-L174 HydrophobicContact CB-CD1 4.25Å; V118-L174 HydrophobicContact CG2-CD1 3.91Å; A128-L174 WeakPolarHBondContact O-CA 3.43Å; T171-L174 PolarHBondContact O-N 2.88Å; T171-L174 VanDerWaalsContact O-N 3.07Å
175	G	94.5	Very high	70.6	Confident	8 Å²	8	63.9 Å²	63.9	8%	0.082	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-172.3	174.3	0	0	0	0	0	112.7	R105 A128	R105-G175 WeakPolarHBondContact O-CA 3.47Å; A128-G175 PolarHBondContact N-O 3.27Å; A128-G175 PolarHBondContact O-N 3.02Å
176	I	95.1	Very high	73.5	Confident	12 Å²	12	60.8 Å²	60.8	6%	0.062	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.8	-177.1	-60.7	-62.1	0	0	0	111.6	P103 S104 R105 G106 L107 W125 W126 Q127	P103-I176 HydrophobicContact CG-CG1 4.25Å; P103-I176 HydrophobicContact CG-CG2 4.24Å; S104-I176 VanDerWaalsContact OG-CG1 3.22Å; S104-I176 WeakPolarHBondContact OG-CG1 3.4Å; R105-I176 PolarHBondContact O-N 3.12Å; G106-I176 CarbonylContact C-O 3.41Å; G106-I176 VanDerWaalsContact CA-O 3.29Å; G106-I176 WeakPolarHBondContact CA-O 3.27Å; L107-I176 PolarHBondContact N-O 3.5Å; W125-I176 HydrophobicContact CB-CG2 3.85Å; W125-I176 HydrophobicContact CD2-CG2 3.77Å; W125-I176 HydrophobicContact CE3-CG2 3.33Å; W125-I176 HydrophobicContact CG-CG2 4.03Å; W125-I176 HydrophobicContact CZ3-CG2 4Å; W126-I176 WeakPolarHBondContact O-CA 3.36Å; Q127-I176 HydrophobicContact CG-CD1 3.85Å
177	I	96.4	Very high	75.9	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151	171	67.5	176.2	0	0	0	110	L107 F109 L115 V117 W126 A128 Y355	L107-I177 HydrophobicContact CB-CG2 3.9Å; L107-I177 HydrophobicContact CD2-CG2 4.05Å; L107-I177 HydrophobicContact CG-CG2 4.3Å; F109-I177 HydrophobicContact CD1-CG2 3.88Å; F109-I177 HydrophobicContact CE1-CB 3.91Å; F109-I177 HydrophobicContact CE1-CG2 3.6Å; L115-I177 HydrophobicContact CD1-CD1 3.85Å; V117-I177 HydrophobicContact CG2-CD1 4.04Å; W126-I177 HydrophobicContact CB-CD1 4.46Å; W126-I177 HydrophobicContact CB-CG1 3.86Å; W126-I177 HydrophobicContact CE3-CD1 4.5Å; W126-I177 PolarHBondContact N-O 3.1Å; W126-I177 PolarHBondContact O-N 2.77Å; A128-I177 HydrophobicContact CB-CD1 3.67Å; A128-I177 HydrophobicContact CB-CG1 4.04Å; A128-I177 HydrophobicContact CB-CG2 4.26Å; I177-Y355 HydrophobicContact CD1-CE1 4.29Å
178	P	96.1	Very high	78.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.7	176.5	29.2	-35.3	0	0	0	110.2	F92 Y94 W125 R182 I183 W237 Y355	F92-P178 HydrophobicContact CZ-CG 4.41Å; Y94-P178 HydrophobicContact CD2-CG 4.12Å; Y94-P178 HydrophobicContact CE2-CG 3.97Å; W125-P178 HydrophobicContact CE3-CB 4.41Å; W125-P178 HydrophobicContact CZ3-CB 4.1Å; P178-R182 HydrophobicContact CB-CB 4.43Å; P178-R182 HydrophobicContact CB-CG 4.21Å; P178-I183 HydrophobicContact CB-CG1 4.11Å; P178-I183 HydrophobicContact CG-CD1 4.31Å; P178-I183 HydrophobicContact CG-CG1 4.14Å; P178-W237 HydrophobicContact CB-CH2 3.68Å; P178-W237 HydrophobicContact CB-CZ2 3.88Å; P178-W237 HydrophobicContact CG-CH2 3.86Å; P178-W237 HydrophobicContact CG-CZ2 3.52Å; P178-Y355 VanDerWaalsContact O-CE2 3.22Å; P178-Y355 WeakPolarHBondContact O-CE2 3.17Å; P178-Y355 PolarHBondContact O-OH 3.33Å
179	S	95	Very high	81.1	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	28%	0.284	C	S	.	.			trans	-69.9	163.3	176.5	82.8	0	0	0	0	112.2	R123 E124 Q181 R182 I183	R123-S179 PolarHBondContact O-OG 3.34Å; E124-S179 PolarHBondContact O-N 2.86Å; S179-Q181 PolarHBondContact O-N 3.07Å; S179-Q181 PolarHBondContact OG-N 3.42Å; S179-Q181 VanDerWaalsContact OG-N 3.13Å; S179-R182 PolarHBondContact O-N 2.9Å; S179-R182 PolarHBondContact OG-N 3.21Å; S179-I183 WeakPolarHBondContact O-CD1 3.49Å; S179-I183 VanDerWaalsContact O-CG1 3.27Å; S179-I183 WeakPolarHBondContact O-CG1 3.35Å; S179-I183 PolarHBondContact O-N 3.2Å
180	C	92.5	Very high	83.7	Confident	17 Å²	17	50.8 Å²	50.8	12%	0.115	27%	0.269	C	S	.	.	H	α-helix	trans	-52.9	-41.5	167	-77	0	0	0	0	112.8	V57 W126 I183 E184	V57-C180 VanDerWaalsContact CG2-SG 3.57Å; W126-C180 HydrophobicContact CH2-CB 4.03Å; W126-C180 HydrophobicContact CZ2-CB 4.42Å; C180-I183 PolarHBondContact O-N 3.46Å; C180-E184 WeakPolarHBondContact O-CB 3.27Å; C180-E184 PolarHBondContact O-N 3.37Å
181	Q	90.9	Very high	85.4	Confident	58 Å²	58	47.2 Å²	47.2	27%	0.271	24%	0.24	S	C	.	.	H	α-helix	trans	-67.9	-36.7	-179.2	-67.1	178.8	26.2	0	0	111.5	R123 S179 R185	R123-Q181 WeakPolarHBondContact O-CB 3.36Å; S179-Q181 PolarHBondContact O-N 3.07Å; S179-Q181 PolarHBondContact OG-N 3.42Å; S179-Q181 VanDerWaalsContact OG-N 3.13Å; Q181-R185 WeakPolarHBondContact O-CB 3.23Å; Q181-R185 PolarHBondContact O-N 3.12Å
182	R	93.4	Very high	86.9	Confident	11 Å²	11	51.1 Å²	51.1	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-46.4	174.6	179.1	173.4	176.7	99.7	-8.2	112.1	D99 T100 E124 W125 P178 S179 R185 R186	D99-R182 IonicContact OD1-CZ 3.65Å; D99-R182 IonicContact OD1-NE 3.33Å; D99-R182 IonicContact OD1-NH2 3.88Å; D99-R182 PolarHBondContact OD1-NH2 3.3Å; D99-R182 IonicContact OD2-CZ 2.74Å; D99-R182 IonicContact OD2-NE 2.65Å; D99-R182 PolarHBondContact OD2-NE 3.23Å; D99-R182 IonicContact OD2-NH2 3.7Å; D99-R182 PolarHBondContact OD2-NH2 3.29Å; T100-R182 PolarHBondContact O-NH2 2.62Å; E124-R182 VanDerWaalsContact O-CB 3.3Å; E124-R182 WeakPolarHBondContact O-CB 3.45Å; E124-R182 WeakPolarHBondContact O-CD 3.2Å; E124-R182 WeakPolarHBondContact OE2-CD 3.43Å; E124-R182 WeakPolarHBondContact OE2-CG 3.33Å; E124-R182 IonicContact OE2-CZ 2.85Å; E124-R182 IonicContact OE2-NE 2.96Å; E124-R182 IonicContact OE2-NH1 3.69Å; E124-R182 PolarHBondContact OE2-NH1 2.9Å; W125-R182 VanDerWaalsContact CH2-CZ 3.46Å; P178-R182 HydrophobicContact CB-CB 4.43Å; P178-R182 HydrophobicContact CB-CG 4.21Å; S179-R182 PolarHBondContact O-N 2.9Å; S179-R182 PolarHBondContact OG-N 3.21Å; R182-R185 PolarHBondContact O-N 3.38Å; R182-R186 WeakPolarHBondContact O-CB 3.39Å; R182-R186 PolarHBondContact O-N 3.12Å
183	I	92.1	Very high	87.7	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.2	-51	177.1	-66.7	158.4	0	0	0	109.6	F92 P178 S179 C180 R186 Q187 P236 W237 I352 R353 Y355	F92-I183 HydrophobicContact CE1-CD1 3.71Å; F92-I183 HydrophobicContact CZ-CD1 3.53Å; F92-I183 HydrophobicContact CZ-CG1 4.13Å; P178-I183 HydrophobicContact CB-CG1 4.11Å; P178-I183 HydrophobicContact CG-CD1 4.31Å; P178-I183 HydrophobicContact CG-CG1 4.14Å; S179-I183 WeakPolarHBondContact O-CD1 3.49Å; S179-I183 VanDerWaalsContact O-CG1 3.27Å; S179-I183 WeakPolarHBondContact O-CG1 3.35Å; S179-I183 PolarHBondContact O-N 3.2Å; C180-I183 PolarHBondContact O-N 3.46Å; I183-R186 PolarHBondContact O-N 2.92Å; I183-Q187 WeakPolarHBondContact O-CB 3.35Å; I183-Q187 PolarHBondContact O-N 2.91Å; I183-P236 HydrophobicContact CG2-CG 3.96Å; I183-W237 HydrophobicContact CG1-CZ2 4.11Å; I183-I352 HydrophobicContact CG2-CG2 3.82Å; I183-R353 WeakPolarHBondContact CG2-O 3.46Å; I183-Y355 HydrophobicContact CD1-CD2 4.22Å; I183-Y355 HydrophobicContact CD1-CE2 3.54Å
184	E	88.2	Confident	86.4	Confident	43 Å²	43	57 Å²	57	20%	0.201	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-48.8	177.4	170.2	162.1	-123	0	0	112	C180 R186 Q187 R188 I352	C180-E184 WeakPolarHBondContact O-CB 3.27Å; C180-E184 PolarHBondContact O-N 3.37Å; E184-R186 VanDerWaalsContact C-N 3.33Å; E184-R186 PolarHBondContact O-N 3.34Å; E184-Q187 PolarHBondContact O-N 2.69Å; E184-R188 VanDerWaalsContact CD-CZ 3.46Å; E184-R188 HydrophobicContact CG-CG 4.07Å; E184-R188 VanDerWaalsContact O-CB 3.29Å; E184-R188 WeakPolarHBondContact O-CB 3.48Å; E184-R188 VanDerWaalsContact O-CG 3.27Å; E184-R188 WeakPolarHBondContact O-CG 3.34Å; E184-R188 PolarHBondContact O-N 3.25Å; E184-R188 IonicContact OE1-CZ 2.87Å; E184-R188 IonicContact OE1-NE 2.74Å; E184-R188 PolarHBondContact OE1-NE 3.15Å; E184-R188 IonicContact OE1-NH2 3.27Å; E184-R188 PolarHBondContact OE1-NH2 2.73Å; E184-R188 IonicContact OE2-CZ 2.62Å; E184-R188 IonicContact OE2-NE 3.55Å; E184-R188 IonicContact OE2-NH2 3.59Å; E184-R188 PolarHBondContact OE2-NH2 3.31Å; E184-I352 HydrophobicContact CB-CD1 4.1Å; E184-I352 HydrophobicContact CG-CD1 3.82Å
185	R	88.6	Confident	84.9	Confident	110 Å²	110	59.9 Å²	59.9	42%	0.415	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-46.3	178.9	-175.3	-179.9	64.6	71.3	-2.5	111	E124 Q181 R182 T189	E124-R185 IonicContact OE1-CZ 3.65Å; E124-R185 VanDerWaalsContact OE1-CZ 3.26Å; E124-R185 IonicContact OE1-NE 3.69Å; E124-R185 PolarHBondContact OE1-NE 3.39Å; E124-R185 IonicContact OE1-NH2 3.15Å; E124-R185 PolarHBondContact OE1-NH2 3.28Å; E124-R185 IonicContact OE2-CZ 2.89Å; E124-R185 IonicContact OE2-NE 2.78Å; E124-R185 IonicContact OE2-NH2 3.85Å; E124-R185 PolarHBondContact OE2-NH2 2.9Å; Q181-R185 WeakPolarHBondContact O-CB 3.23Å; Q181-R185 PolarHBondContact O-N 3.12Å; R182-R185 PolarHBondContact O-N 3.38Å; R185-T189 WeakPolarHBondContact O-CB 3.31Å; R185-T189 PolarHBondContact O-N 3.06Å; R185-T189 PolarHBondContact O-OG1 2.96Å
186	R	88.1	Confident	82.6	Confident	57 Å²	57	68.6 Å²	68.6	22%	0.215	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-44.8	178.2	-79.8	-178.7	166	-113.9	-1.5	112.6	D99 T100 R182 I183 E184 T189 R190	D99-R186 IonicContact OD1-CZ 3.49Å; D99-R186 IonicContact OD1-NE 2.95Å; D99-R186 PolarHBondContact OD1-NE 2.93Å; D99-R186 IonicContact OD1-NH1 3.96Å; D99-R186 PolarHBondContact OD1-NH1 3.38Å; D99-R186 IonicContact OD1-NH2 2.66Å; D99-R186 PolarHBondContact OD1-NH2 3.48Å; T100-R186 PolarHBondContact O-NH2 3.47Å; T100-R186 PolarHBondContact OG1-NH2 2.94Å; R182-R186 WeakPolarHBondContact O-CB 3.39Å; R182-R186 PolarHBondContact O-N 3.12Å; I183-R186 PolarHBondContact O-N 2.92Å; E184-R186 VanDerWaalsContact C-N 3.33Å; E184-R186 PolarHBondContact O-N 3.34Å; R186-T189 CarbonylContact O-C 3.54Å; R186-T189 PolarHBondContact O-N 2.82Å; R186-T189 VanDerWaalsContact O-N 3.15Å; R186-R190 PolarHBondContact O-N 3.06Å
187	Q	82.8	Confident	80.5	Confident	11 Å²	11	74.3 Å²	74.3	5%	0.051	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-45.1	177.5	-169.2	72.1	-40.3	0	0	111.1	I183 E184 T189 R190 L191 I352	I183-Q187 WeakPolarHBondContact O-CB 3.35Å; I183-Q187 PolarHBondContact O-N 2.91Å; E184-Q187 PolarHBondContact O-N 2.69Å; Q187-T189 PolarHBondContact O-N 3.25Å; Q187-R190 PolarHBondContact O-N 3.13Å; Q187-R190 VanDerWaalsContact O-N 3.13Å; Q187-L191 HydrophobicContact CG-CD1 4.05Å; Q187-L191 WeakPolarHBondContact O-CB 3.46Å; Q187-L191 VanDerWaalsContact O-CD1 3.32Å; Q187-L191 WeakPolarHBondContact O-CD1 3.38Å; Q187-L191 WeakPolarHBondContact O-CG 3.33Å; Q187-L191 PolarHBondContact O-N 3.01Å; Q187-I352 HydrophobicContact CB-CD1 4.27Å; Q187-I352 HydrophobicContact CB-CG2 4.12Å; Q187-I352 HydrophobicContact CG-CD1 4.41Å; Q187-I352 HydrophobicContact CG-CG1 4.23Å; Q187-I352 HydrophobicContact CG-CG2 4.29Å
188	R	83.3	Confident	78	Confident	138 Å²	138	77.5 Å²	77.5	52%	0.521	38%	0.379	S	S	.	.	H	α-helix	trans	-57.6	-34.3	172.1	-71.8	177.8	-180	-155.3	5.1	112.4	E184 K192 I352	E184-R188 VanDerWaalsContact CD-CZ 3.46Å; E184-R188 HydrophobicContact CG-CG 4.07Å; E184-R188 VanDerWaalsContact O-CB 3.29Å; E184-R188 WeakPolarHBondContact O-CB 3.48Å; E184-R188 VanDerWaalsContact O-CG 3.27Å; E184-R188 WeakPolarHBondContact O-CG 3.34Å; E184-R188 PolarHBondContact O-N 3.25Å; E184-R188 IonicContact OE1-CZ 2.87Å; E184-R188 IonicContact OE1-NE 2.74Å; E184-R188 PolarHBondContact OE1-NE 3.15Å; E184-R188 IonicContact OE1-NH2 3.27Å; E184-R188 PolarHBondContact OE1-NH2 2.73Å; E184-R188 IonicContact OE2-CZ 2.62Å; E184-R188 IonicContact OE2-NE 3.55Å; E184-R188 IonicContact OE2-NH2 3.59Å; E184-R188 PolarHBondContact OE2-NH2 3.31Å; R188-K192 WeakPolarHBondContact O-CG 3.27Å; R188-K192 PolarHBondContact O-N 3.16Å; R188-I352 HydrophobicContact CG-CD1 4.5Å
189	T	84.8	Confident	75.5	Confident	68 Å²	68	86.4 Å²	86.4	42%	0.417	42%	0.418	S	S	.	.	H	α-helix	trans	-73.6	-41.4	173.4	-58.7	0	0	0	0	112.5	R185 R186 Q187 L191 K192	R185-T189 WeakPolarHBondContact O-CB 3.31Å; R185-T189 PolarHBondContact O-N 3.06Å; R185-T189 PolarHBondContact O-OG1 2.96Å; R186-T189 CarbonylContact O-C 3.54Å; R186-T189 PolarHBondContact O-N 2.82Å; R186-T189 VanDerWaalsContact O-N 3.15Å; Q187-T189 PolarHBondContact O-N 3.25Å; T189-L191 VanDerWaalsContact C-N 3.32Å; T189-L191 PolarHBondContact O-N 3.36Å; T189-K192 PolarHBondContact O-N 3.4Å
190	R	80.5	Confident	73.3	Confident	58 Å²	58	92.8 Å²	92.8	22%	0.219	46%	0.456	C	S	.	.	H	α-helix	trans	-57.8	-46	175.8	-170.1	178	73.9	112	2.7	110.7	R186 Q187 K192 R193 I232	R186-R190 PolarHBondContact O-N 3.06Å; Q187-R190 PolarHBondContact O-N 3.13Å; Q187-R190 VanDerWaalsContact O-N 3.13Å; R190-K192 VanDerWaalsContact C-N 3.26Å; R190-K192 PolarHBondContact O-N 2.93Å; R190-R193 WeakPolarHBondContact O-CB 3.23Å; R190-R193 PolarHBondContact O-N 2.8Å; R190-R193 VanDerWaalsContact O-N 3.13Å; R190-I232 PolarHBondContact NH1-O 3.08Å; R190-I232 PolarHBondContact NH2-O 3.33Å
191	L	74.2	Confident	71.2	Confident	57 Å²	57	97 Å²	97	30%	0.298	48%	0.482	S	S	.	.	H	α-helix	trans	-65.8	-22.5	179.4	-67.9	161	0	0	0	114.5	Q187 T189 I231 P350	Q187-L191 HydrophobicContact CG-CD1 4.05Å; Q187-L191 WeakPolarHBondContact O-CB 3.46Å; Q187-L191 VanDerWaalsContact O-CD1 3.32Å; Q187-L191 WeakPolarHBondContact O-CD1 3.38Å; Q187-L191 WeakPolarHBondContact O-CG 3.33Å; Q187-L191 PolarHBondContact O-N 3.01Å; T189-L191 VanDerWaalsContact C-N 3.32Å; T189-L191 PolarHBondContact O-N 3.36Å; L191-I231 HydrophobicContact CD2-CD1 4.22Å; L191-I231 HydrophobicContact CD2-CG2 4.02Å; L191-P350 HydrophobicContact CD1-CB 4.44Å; L191-P350 HydrophobicContact CD1-CG 3.29Å; L191-P350 HydrophobicContact CD2-CG 3.87Å; L191-P350 HydrophobicContact CG-CG 4.22Å
192	K	77.7	Confident	69.3	Low	176 Å²	176	100 Å²	100	77%	0.765	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.3	175.1	-75.6	-178.8	177.9	-168.8	0	113.6	R188 T189 R190 V194	R188-K192 WeakPolarHBondContact O-CG 3.27Å; R188-K192 PolarHBondContact O-N 3.16Å; T189-K192 PolarHBondContact O-N 3.4Å; R190-K192 VanDerWaalsContact C-N 3.26Å; R190-K192 PolarHBondContact O-N 2.93Å; K192-V194 PolarHBondContact O-N 3.06Å
193	R	72.1	Confident	67	Low	184 Å²	184	107.3 Å²	107.3	69%	0.694	54%	0.542	S	S	*	.			trans	-78.3	109.2	175.9	-68.7	-178.7	175.3	171.9	-2.2	109.6	R190 N195	R190-R193 WeakPolarHBondContact O-CB 3.23Å; R190-R193 PolarHBondContact O-N 2.8Å; R190-R193 VanDerWaalsContact O-N 3.13Å; R193-N195 PolarHBondContact O-N 3.04Å
194	V	56	Low	64.6	Low	107 Å²	107	110.4 Å²	110.4	65%	0.648	57%	0.574	S	S	*	*			trans	-69.1	117.1	167.1	179.7	0	0	0	0	108.3	K192 F196	K192-V194 PolarHBondContact O-N 3.06Å; V194-F196 HydrophobicContact CB-CE2 4.26Å; V194-F196 HydrophobicContact CG1-CD2 4.44Å; V194-F196 HydrophobicContact CG1-CE2 4.32Å; V194-F196 WeakPolarHBondContact O-CD2 3.48Å; V194-F196 PolarHBondContact O-N 3.4Å
195	N	60.6	Low	62.5	Low	142 Å²	142	113.3 Å²	113.3	76%	0.759	60%	0.599	S	S	*	*			trans	-71.9	97.6	170.3	-75.8	-16.4	0	0	0	108.9	R193 V197	R193-N195 PolarHBondContact O-N 3.04Å; N195-V197 VanDerWaalsContact C-N 3.29Å; N195-V197 PolarHBondContact O-N 3.19Å
196	F	46.7	Very low	60.3	Low	191 Å²	191	114.3 Å²	114.3	84%	0.838	62%	0.617	S	S	*	*			trans	-68	87.7	170.5	-75.5	-85.2	0	0	0	110	V194 G198	V194-F196 HydrophobicContact CB-CE2 4.26Å; V194-F196 HydrophobicContact CG1-CD2 4.44Å; V194-F196 HydrophobicContact CG1-CE2 4.32Å; V194-F196 WeakPolarHBondContact O-CD2 3.48Å; V194-F196 PolarHBondContact O-N 3.4Å; F196-G198 PolarHBondContact O-N 3.3Å
197	V	51.1	Low	58.2	Low	132 Å²	132	117.3 Å²	117.3	80%	0.8	64%	0.644	S	S	*	*			trans	-67.8	98.3	167.5	-178.9	0	0	0	0	107.6	N195 K199	N195-V197 VanDerWaalsContact C-N 3.29Å; N195-V197 PolarHBondContact O-N 3.19Å; V197-K199 PolarHBondContact O-N 2.86Å
198	G	42.8	Very low	56	Low	66 Å²	66	127.1 Å²	127.1	68%	0.68	68%	0.682	S	S	*	*			trans	-65.1	88.1	-178.1	0	0	0	0	0	112.2	F196 V200	F196-G198 PolarHBondContact O-N 3.3Å; G198-V200 PolarHBondContact O-N 3.13Å
199	K	44	Very low	53.9	Low	188 Å²	188	125.6 Å²	125.6	82%	0.817	69%	0.691	S	S	*	*			trans	-64.4	97.7	165	-117.9	-172.8	179.2	-176.6	0	108.1	V197 T201	V197-K199 PolarHBondContact O-N 2.86Å; K199-T201 PolarHBondContact O-N 2.66Å; K199-T201 PolarHBondContact O-OG1 3.28Å
200	V	49	Very low	51.8	Low	135 Å²	135	130.5 Å²	130.5	82%	0.818	71%	0.708	S	S	*	*			trans	-59.8	99.7	175	179.7	0	0	0	0	108.2	G198 V202	G198-V200 PolarHBondContact O-N 3.13Å; V200-V202 HydrophobicContact CG1-CG2 4.47Å
201	T	47.7	Very low	49.7	Very low	105 Å²	105	133.1 Å²	133.1	64%	0.644	73%	0.731	S	S	*	*			trans	-99.6	104.2	-177.8	-55.9	0	0	0	0	107.3	K199 I203	K199-T201 PolarHBondContact O-N 2.66Å; K199-T201 PolarHBondContact O-OG1 3.28Å; T201-I203 HydrophobicContact CG2-CG1 4.08Å; T201-I203 PolarHBondContact O-N 3.12Å
202	V	51.9	Low	47.8	Very low	120 Å²	120	136.4 Å²	136.4	73%	0.727	75%	0.754	S	S	*	*			trans	-75.9	91.6	178.8	-177.5	0	0	0	0	108.9	V200 G204	V200-V202 HydrophobicContact CG1-CG2 4.47Å; V202-G204 PolarHBondContact O-N 3.09Å
203	I	44.6	Very low	45.8	Very low	165 Å²	165	134.6 Å²	134.6	85%	0.846	76%	0.758	S	S	*	*			trans	-81.7	87.7	172.2	-55.4	174.8	0	0	0	107.2	T201	T201-I203 HydrophobicContact CG2-CG1 4.08Å; T201-I203 PolarHBondContact O-N 3.12Å
204	G	42.5	Very low	44.1	Very low	65 Å²	65	132.1 Å²	132.1	67%	0.67	76%	0.756	S	S	*	*			trans	-174	20.3	-169.6	0	0	0	0	0	119.1	V202	V202-G204 PolarHBondContact O-N 3.09Å
205	S	44.1	Very low	43.3	Very low	104 Å²	104	134.7 Å²	134.7	73%	0.727	77%	0.767	S	S	*	*			trans	-151.6	117	170.5	49.5	0	0	0	0	112.6	P207	S205-P207 WeakPolarHBondContact O-CD 3.4Å
206	T	41.9	Very low	42	Very low	131 Å²	131	135.2 Å²	135.2	80%	0.804	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-94.1	117.5	177.7	48.7	0	0	0	0	111.2
207	P	44.6	Very low	41.5	Very low	121 Å²	121	131 Å²	131	79%	0.786	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-86.7	130.1	168.2	-4	23.7	0	0	0	110.6	S205	S205-P207 WeakPolarHBondContact O-CD 3.4Å
208	Y	36.8	Very low	40.8	Very low	216 Å²	216	134.5 Å²	134.5	85%	0.847	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-71.5	133.3	168.5	-90.2	-98.7	0	0	0	110.4
209	P	39.2	Very low	40.4	Very low	107 Å²	107	139.1 Å²	139.1	70%	0.695	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-96.5	134.6	-179.3	34.9	-31.8	0	0	0	112.8
210	H	39.2	Very low	40	Very low	170 Å²	170	135 Å²	135	79%	0.787	78%	0.779	S	S	*	*			trans	-140.2	109.8	163.8	-90.7	-74.6	0	0	0	112.8
211	T	37.2	Very low	39.3	Very low	114 Å²	114	136.3 Å²	136.3	70%	0.699	78%	0.781	S	S	*	*			trans	49.2	111.1	141.5	49.5	0	0	0	0	121.2
212	T	34.1	Very low	38.5	Very low	126 Å²	126	137.4 Å²	137.4	77%	0.773	79%	0.788	S	S	*	*			trans	44.5	130.3	134.9	38.5	0	0	0	0	119.8
213	T	35.7	Very low	37.5	Very low	138 Å²	138	139.6 Å²	139.6	85%	0.847	80%	0.795	S	S	*	*				-156.7	158.3	67.3	-62	0	0	0	0	113
214	I	37.5	Very low	36.8	Very low	131 Å²	131	136.6 Å²	136.6	67%	0.672	79%	0.788	S	S	*	*			trans	-81.4	140.7	-174.3	-63.9	156.5	0	0	0	112.5
215	N	38.2	Very low	36	Very low	161 Å²	161	139.1 Å²	139.1	86%	0.861	79%	0.794	S	S	*	*			trans	-164.4	150.6	133.6	-101.6	-35.4	0	0	0	112.6
216	N	33.8	Very low	35.3	Very low	153 Å²	153	140.5 Å²	140.5	82%	0.818	80%	0.798	S	S	*	*			trans	-99.3	134	-167.5	-61	-59.4	0	0	0	113.5
217	A	36.3	Very low	34.6	Very low	104 Å²	104	138.6 Å²	138.6	86%	0.86	79%	0.79	S	S	*	*			trans	-152.5	144	149.9	0	0	0	0	0	111.1
218	K	35.5	Very low	33.7	Very low	204 Å²	204	140.7 Å²	140.7	89%	0.887	80%	0.795	S	S	*	*			trans	-54.9	137.6	-175.9	-57.6	156.4	179	172.8	0	112.9
219	D	34.6	Very low	33.4	Very low	163 Å²	163	135.7 Å²	135.7	87%	0.872	79%	0.792	S	S	*	*			trans	-147.2	151	146.4	-114.9	-36.2	0	0	0	111.4
220	S	35.7	Very low	33	Very low	103 Å²	103	133.6 Å²	133.6	72%	0.72	79%	0.789	S	S	*	*			trans	-93	109.6	-166.6	57	0	0	0	0	113.2	T222	S220-T222 PolarHBondContact O-N 3.18Å
221	N	33.6	Very low	32.7	Very low	162 Å²	162	131.4 Å²	131.4	87%	0.866	78%	0.782	S	S	*	*			trans	-83.1	106.7	173.2	-96.4	-40	0	0	0	112.1	L223	N221-L223 PolarHBondContact O-N 3.07Å
222	T	32.5	Very low	32.7	Very low	127 Å²	127	130.4 Å²	130.4	78%	0.779	77%	0.771	S	S	*	*			trans	-71.1	89.7	176.6	-44.1	0	0	0	0	111.1	S220 S224	S220-T222 PolarHBondContact O-N 3.18Å; T222-S224 PolarHBondContact O-N 3.49Å
223	L	31.2	Very low	33.2	Very low	167 Å²	167	126.5 Å²	126.5	87%	0.874	75%	0.745	S	S	*	*			trans	-68.7	93.6	171.4	-88.8	164.7	0	0	0	110.4	N221 C225	N221-L223 PolarHBondContact O-N 3.07Å; L223-C225 PolarHBondContact O-N 2.9Å
224	S	29.2	Very low	33.9	Very low	102 Å²	102	122.5 Å²	122.5	71%	0.713	72%	0.717	S	S	*	*			trans	-68.8	94.9	171.6	45.2	0	0	0	0	110.4	T222 V226	T222-S224 PolarHBondContact O-N 3.49Å; S224-V226 PolarHBondContact O-N 3.2Å
225	C	25.5	Very low	34.7	Very low	118 Å²	118	117.1 Å²	117.1	80%	0.797	69%	0.691	S	S	*	*			trans	-62.4	102.3	166.4	53.2	0	0	0	0	109.2	L223 S227	L223-C225 PolarHBondContact O-N 2.9Å; C225-S227 VanDerWaalsContact C-N 3.32Å; C225-S227 PolarHBondContact O-N 3.01Å
226	V	29	Very low	35.5	Very low	132 Å²	132	110.3 Å²	110.3	80%	0.8	66%	0.656	S	S	*	*			trans	-66.5	97.5	167.2	-179.2	0	0	0	0	106.7	S224 N228	S224-V226 PolarHBondContact O-N 3.2Å; V226-N228 PolarHBondContact O-N 2.99Å
227	S	26.6	Very low	36.8	Very low	91 Å²	91	103.5 Å²	103.5	64%	0.636	62%	0.619	S	S	*	*			trans	-58.8	135.5	171.4	38	0	0	0	0	109	C225 S229	C225-S227 VanDerWaalsContact C-N 3.32Å; C225-S227 PolarHBondContact O-N 3.01Å; S227-S229 PolarHBondContact O-N 3.34Å
228	N	26.6	Very low	37.6	Very low	165 Å²	165	101.7 Å²	101.7	88%	0.882	59%	0.594	S	S	*	*			trans	-67	87.7	171	-82.8	-25.9	0	0	0	108.7	V226 G230	V226-N228 PolarHBondContact O-N 2.99Å; N228-G230 PolarHBondContact O-N 3.37Å
229	S	29.9	Very low	37.9	Very low	112 Å²	112	99.5 Å²	99.5	78%	0.783	59%	0.591	S	S	*	*			trans	-50.3	129.6	166	-59.7	0	0	0	0	108.7	S227	S227-S229 PolarHBondContact O-N 3.34Å
230	G	30.4	Very low	38	Very low	62 Å²	62	93.7 Å²	93.7	64%	0.639	57%	0.57	S	S	*	*			trans	-54.2	148.2	-160.9	0	0	0	0	0	114.6	N228 I232	N228-G230 PolarHBondContact O-N 3.37Å; G230-I232 PolarHBondContact O-N 2.93Å
231	I	33.5	Very low	37.6	Very low	125 Å²	125	96.2 Å²	96.2	64%	0.641	58%	0.575	S	S	*	*			trans	-55.7	108	171.9	-61.9	171.7	0	0	0	107.9	L191 N233	L191-I231 HydrophobicContact CD2-CD1 4.22Å; L191-I231 HydrophobicContact CD2-CG2 4.02Å; I231-N233 PolarHBondContact O-N 3.38Å
232	I	37.1	Very low	37.4	Very low	93 Å²	93	95.8 Å²	95.8	48%	0.477	57%	0.573	S	S	.	*			trans	-59.9	128.1	-168.3	-52.7	175.2	0	0	0	109.8	R190 G230 Q234	R190-I232 PolarHBondContact NH1-O 3.08Å; R190-I232 PolarHBondContact NH2-O 3.33Å; G230-I232 PolarHBondContact O-N 2.93Å; I232-Q234 HydrophobicContact CG2-CB 4.28Å; I232-Q234 HydrophobicContact CG2-CG 3.9Å; I232-Q234 PolarHBondContact O-N 3.16Å
233	N	45.8	Very low	37.1	Very low	43 Å²	43	92.5 Å²	92.5	23%	0.23	57%	0.565	C	S	.	*			trans	-75.9	42.4	172.3	-81.1	-29.1	0	0	0	112.2	I231 R353 D513	I231-N233 PolarHBondContact O-N 3.38Å; N233-R353 PolarHBondContact O-NH1 3.29Å; N233-D513 VanDerWaalsContact CB-OD1 3.29Å; N233-D513 WeakPolarHBondContact CB-OD1 3.4Å
234	Q	49.6	Very low	36.8	Very low	55 Å²	55	93.9 Å²	93.9	26%	0.257	56%	0.564	S	S	.	*			trans	-48.9	147.6	159.6	-101.6	163.6	32	0	0	110.2	I232 D238	I232-Q234 HydrophobicContact CG2-CB 4.28Å; I232-Q234 HydrophobicContact CG2-CG 3.9Å; I232-Q234 PolarHBondContact O-N 3.16Å; Q234-D238 HydrophobicContact CB-CB 3.73Å; Q234-D238 HydrophobicContact CG-CB 3.7Å
235	S	54.6	Low	36.7	Very low	18 Å²	18	95.6 Å²	95.6	13%	0.126	57%	0.57	C	S	.	*			trans	-56.3	154.7	176.4	-80.6	0	0	0	0	110.2	D93 W237 D238	D93-S235 PolarHBondContact O-OG 3.37Å; S235-W237 PolarHBondContact O-N 3.06Å; S235-D238 WeakPolarHBondContact CB-OD2 3.36Å; S235-D238 PolarHBondContact N-OD2 2.94Å; S235-D238 PolarHBondContact O-N 2.76Å
236	P	55.3	Low	36.9	Very low	17 Å²	17	95.6 Å²	95.6	11%	0.11	57%	0.567	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61.3	-2.1	-174.7	-21.2	31.6	0	0	0	115.9	F92 I183	F92-P236 HydrophobicContact CD2-CG 4.41Å; I183-P236 HydrophobicContact CG2-CG 3.96Å
237	W	60.7	Low	36.9	Very low	11 Å²	11	97 Å²	97	4%	0.042	57%	0.57	C	S	.	*	T	Hydrogen-bonded Turn	trans	-118.5	-15.1	-174.2	-32	103.2	0	0	0	112.2	F92 Y94 L98 D99 P178 I183 S235 I239	F92-W237 AromaticContact CD2-NE1 3.8Å; F92-W237 HydrophobicContact CE2-CZ2 4.31Å; F92-W237 AromaticContact CE2-NE1 3.43Å; Y94-W237 HydrophobicContact CD2-CD2 4.33Å; Y94-W237 AromaticContact CD2-CE2 3.86Å; Y94-W237 HydrophobicContact CD2-CG 4.48Å; Y94-W237 HydrophobicContact CD2-CZ2 4.32Å; Y94-W237 AromaticContact CD2-NE1 3.65Å; Y94-W237 HydrophobicContact CE2-CD2 4.47Å; Y94-W237 HydrophobicContact CE2-CZ2 4.45Å; L98-W237 HydrophobicContact CB-CB 3.77Å; D99-W237 HydrophobicContact CB-CD2 4.26Å; D99-W237 HydrophobicContact CB-CE3 3.58Å; D99-W237 HydrophobicContact CB-CZ3 3.84Å; D99-W237 VanDerWaalsContact OD1-CZ3 3.26Å; D99-W237 WeakPolarHBondContact OD1-CZ3 3.42Å; D99-W237 WeakPolarHBondContact OD2-CZ3 3.46Å; P178-W237 HydrophobicContact CB-CH2 3.68Å; P178-W237 HydrophobicContact CB-CZ2 3.88Å; P178-W237 HydrophobicContact CG-CH2 3.86Å; P178-W237 HydrophobicContact CG-CZ2 3.52Å; I183-W237 HydrophobicContact CG1-CZ2 4.11Å; S235-W237 PolarHBondContact O-N 3.06Å; W237-I239 PolarHBondContact O-N 3.4Å; W237-I239 VanDerWaalsContact O-N 3.16Å
238	D	52.8	Low	36.9	Very low	65 Å²	65	99.4 Å²	99.4	35%	0.348	58%	0.575	S	S	.	*			trans	-69.6	111.9	-179.4	-72.3	-25	0	0	0	109.9	Q234 S235 G240	Q234-D238 HydrophobicContact CB-CB 3.73Å; Q234-D238 HydrophobicContact CG-CB 3.7Å; S235-D238 WeakPolarHBondContact CB-OD2 3.36Å; S235-D238 PolarHBondContact N-OD2 2.94Å; S235-D238 PolarHBondContact O-N 2.76Å; D238-G240 PolarHBondContact O-N 2.62Å
239	I	41.6	Very low	37.2	Very low	158 Å²	158	98.4 Å²	98.4	81%	0.81	57%	0.57	S	S	*	*			trans	-85.3	106.1	167.3	-58.3	177.7	0	0	0	106.6	W237 N241	W237-I239 PolarHBondContact O-N 3.4Å; W237-I239 VanDerWaalsContact O-N 3.16Å; I239-N241 PolarHBondContact O-N 2.87Å
240	G	36.2	Very low	37.4	Very low	42 Å²	42	100.5 Å²	100.5	43%	0.433	57%	0.572	S	S	.	*			trans	-52.2	107.4	-177.2	0	0	0	0	0	112.5	D238 N242	D238-G240 PolarHBondContact O-N 2.62Å; G240-N242 PolarHBondContact O-N 3.33Å
241	N	27.7	Very low	37.5	Very low	156 Å²	156	105.5 Å²	105.5	83%	0.834	58%	0.584	S	S	*	*			trans	-79.2	62.2	-171.5	-165.7	12.2	0	0	0	112.3	I239 G243	I239-N241 PolarHBondContact O-N 2.87Å; N241-G243 PolarHBondContact O-N 3.49Å; N241-G243 VanDerWaalsContact O-N 3.12Å
242	N	29.8	Very low	37.5	Very low	152 Å²	152	103.2 Å²	103.2	81%	0.813	59%	0.592	S	S	*	*			trans	-72.1	97.3	167	-81.9	-6	0	0	0	108.4	G240 F244	G240-N242 PolarHBondContact O-N 3.33Å; N242-F244 PolarHBondContact O-N 3.01Å
243	G	25.5	Very low	37.1	Very low	59 Å²	59	105.3 Å²	105.3	61%	0.608	61%	0.609	S	S	*	*			trans	-57.8	123.3	178.8	0	0	0	0	0	112	N241 T245	N241-G243 PolarHBondContact O-N 3.49Å; N241-G243 VanDerWaalsContact O-N 3.12Å; G243-T245 PolarHBondContact O-N 2.95Å
244	F	26	Very low	36.5	Very low	195 Å²	195	109.2 Å²	109.2	86%	0.855	64%	0.635	S	S	*	*			trans	-68.7	98.3	169.3	-93.1	-94.8	0	0	0	109.7	N242 T246	N242-F244 PolarHBondContact O-N 3.01Å; F244-T246 HydrophobicContact CB-CG2 4.43Å; F244-T246 PolarHBondContact O-N 2.72Å
245	T	26.5	Very low	35.5	Very low	138 Å²	138	112.2 Å²	112.2	85%	0.847	66%	0.657	S	S	*	*			trans	-74.2	73.8	162.3	39.7	0	0	0	0	109.7	G243 N247	G243-T245 PolarHBondContact O-N 2.95Å; T245-N247 PolarHBondContact O-N 2.74Å
246	T	29.1	Very low	34.5	Very low	119 Å²	119	117.2 Å²	117.2	73%	0.73	69%	0.687	S	S	*	*			trans	-62.3	104.5	169.1	47.1	0	0	0	0	109.1	F244	F244-T246 HydrophobicContact CB-CG2 4.43Å; F244-T246 PolarHBondContact O-N 2.72Å
247	N	30.1	Very low	33.3	Very low	161 Å²	161	120.8 Å²	120.8	86%	0.861	71%	0.709	S	S	*	*			trans	-69.6	139.3	-178.8	-160.8	15	0	0	0	110.4	T245	T245-N247 PolarHBondContact O-N 2.74Å
248	N	27.1	Very low	32	Very low	141 Å²	141	130.1 Å²	130.1	75%	0.754	75%	0.745	S	S	*	*			trans	-73.3	135.6	-176	-118	-14	0	0	0	111.1
249	N	32.1	Very low	31.1	Very low	145 Å²	145	132.8 Å²	132.8	78%	0.775	76%	0.759	S	S	*	*			trans	170.6	105.8	141.5	-89.5	-18.4	0	0	0	111
250	N	34	Very low	30.9	Very low	155 Å²	155	131.7 Å²	131.7	83%	0.829	76%	0.755	S	S	*	*				178.8	149.6	115.1	-90.9	-24.5	0	0	0	113.2
251	N	33.1	Very low	30.8	Very low	167 Å²	167	137.2 Å²	137.2	89%	0.893	77%	0.772	S	S	*	*			trans	-57.2	140.4	-176	-53.8	-38.9	0	0	0	113.9
252	G	32.2	Very low	30.9	Very low	78 Å²	78	134.3 Å²	134.3	80%	0.804	76%	0.764	S	S	*	*			trans	-165.2	82.2	177.3	0	0	0	0	0	112.7
253	T	29.8	Very low	31.3	Very low	136 Å²	136	133.8 Å²	133.8	83%	0.834	77%	0.766	S	S	*	*			trans	-63	128.4	-173.5	-38.4	0	0	0	0	114.2
254	T	32	Very low	31.4	Very low	125 Å²	125	138.4 Å²	138.4	77%	0.767	78%	0.776	S	S	*	*				-179.5	134.9	123.5	31.3	0	0	0	0	113.3
255	T	29.3	Very low	31.9	Very low	118 Å²	118	133.5 Å²	133.5	72%	0.724	77%	0.772	S	S	*	*			trans	24.4	131.4	139.4	-4.7	0	0	0	0	119
256	T	32.8	Very low	32.1	Very low	124 Å²	124	130.1 Å²	130.1	76%	0.761	76%	0.764	S	S	*	*			cis	-160.7	138.9	47.5	-51.7	0	0	0	0	115.3
257	T	30.4	Very low	32.2	Very low	91 Å²	91	132.1 Å²	132.1	56%	0.558	77%	0.769	S	S	*	*			trans	-8.5	133.7	158.6	-44.9	0	0	0	0	121.3
258	Y	33	Very low	32.3	Very low	208 Å²	208	129.5 Å²	129.5	82%	0.816	76%	0.763	S	S	*	*				175.6	104.6	116.9	-93.6	-72.9	0	0	0	107.6
259	N	35.7	Very low	32.5	Very low	120 Å²	120	127 Å²	127	64%	0.642	76%	0.757	S	S	*	*				49.8	127	95.3	-57.1	2.4	0	0	0	112.9
260	N	35.9	Very low	32.5	Very low	135 Å²	135	127.3 Å²	127.3	72%	0.722	76%	0.758	S	S	*	*			cis	-156.3	170.6	9.9	-109.7	9.4	0	0	0	108.3
261	M	35.6	Very low	32.5	Very low	158 Å²	158	124.5 Å²	124.5	78%	0.778	75%	0.751	S	S	*	*			cis	-153.2	-170.6	8.7	-142.1	163	69.4	0	0	110.2
262	S	28.4	Very low	32.5	Very low	95 Å²	95	121.6 Å²	121.6	66%	0.664	74%	0.744	S	S	*	*			trans	-142.7	156.2	166.6	-175.2	0	0	0	0	111.1
263	V	38.3	Very low	32.6	Very low	141 Å²	141	125.9 Å²	125.9	86%	0.855	74%	0.743	S	S	*	*			trans	-138.8	134.9	155.9	-80.8	0	0	0	0	108.3
264	D	28.1	Very low	32.7	Very low	156 Å²	156	124.9 Å²	124.9	83%	0.834	74%	0.737	S	S	*	*			trans	-129.7	-179.8	-166.3	-154.9	-20.8	0	0	0	110.5
265	A	35.7	Very low	32.6	Very low	93 Å²	93	125.3 Å²	125.3	77%	0.769	73%	0.734	S	S	*	*			trans	84.4	145	179.9	0	0	0	0	0	117.6
266	G	31.1	Very low	32.7	Very low	66 Å²	66	131.7 Å²	131.7	68%	0.68	75%	0.745	S	S	*	*			cis	164.3	149.1	-13.4	0	0	0	0	0	117.1
267	I	31.8	Very low	32.5	Very low	161 Å²	161	132 Å²	132	83%	0.826	74%	0.742	S	S	*	*			trans	73.7	123.5	143.8	-57.7	167.6	0	0	0	119.7
268	S	31.7	Very low	32.6	Very low	107 Å²	107	135.7 Å²	135.7	75%	0.748	76%	0.758	S	S	*	*			trans	71	164.6	151.7	73.6	0	0	0	0	121
269	S	32.2	Very low	32.2	Very low	89 Å²	89	130.6 Å²	130.6	62%	0.622	75%	0.753	S	S	*	*			cis	-172.2	165.7	-47.8	61.6	0	0	0	0	109.9
270	N	31.1	Very low	32.1	Very low	150 Å²	150	132.9 Å²	132.9	80%	0.802	76%	0.764	S	S	*	*			trans	68.8	153.1	163	-62.1	-12.1	0	0	0	116.9
271	S	35	Very low	31.6	Very low	97 Å²	97	132.7 Å²	132.7	68%	0.678	76%	0.763	S	S	*	*			cis	-165.9	159.5	-10.2	41.2	0	0	0	0	111.2
272	S	32.4	Very low	31.4	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	76%	0.764	S	S	*	*			trans	39.4	138.1	146.4	61.9	0	0	0	0	121
273	E	33.7	Very low	31.4	Very low	167 Å²	167	134.2 Å²	134.2	78%	0.78	76%	0.764	S	S	*	*			cis	-138.7	-149.6	26.5	-77.6	-158.5	130.4	0	0	110.8
274	T	33.3	Very low	30.8	Very low	116 Å²	116	134.3 Å²	134.3	71%	0.712	76%	0.758	S	S	*	*			cis	-151.6	165.3	1.3	-34.1	0	0	0	0	111.3
275	L	30	Very low	30.8	Very low	134 Å²	134	138.5 Å²	138.5	70%	0.702	76%	0.762	S	S	*	*			trans	-94.4	156	178.8	-54.8	97.6	0	0	0	114
276	R	30.5	Very low	30.2	Very low	251 Å²	251	140.7 Å²	140.7	95%	0.947	76%	0.761	S	S	*	*				-156.9	139.2	120.6	-110	170.8	-167.3	-154.5	1.4	112.3
277	N	28.7	Very low	29.9	Very low	130 Å²	130	142.5 Å²	142.5	70%	0.695	76%	0.763	S	S	*	*			trans	-92	161.3	-178.6	-59.1	-23.7	0	0	0	111.3
278	N	32.4	Very low	29.7	Very low	169 Å²	169	141.2 Å²	141.2	90%	0.904	76%	0.763	S	S	*	*				-161.3	143.4	114.4	-95.6	-17.3	0	0	0	111
279	S	25.3	Very low	29.5	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	76%	0.758	S	S	*	*			trans	-107.8	154.2	174.1	-172.6	0	0	0	0	109.9
280	L	32.6	Very low	29.3	Very low	168 Å²	168	145.7 Å²	145.7	88%	0.88	77%	0.773	S	S	*	*			trans	-163	128.6	154.7	-110.6	163.8	0	0	0	109.9
281	D	25.4	Very low	29.3	Very low	131 Å²	131	145.9 Å²	145.9	70%	0.701	77%	0.774	S	S	*	*			trans	-72.5	165.3	178	-59.3	-87.7	0	0	0	113.2
282	M	31	Very low	29.2	Very low	162 Å²	162	147.8 Å²	147.8	80%	0.798	77%	0.774	S	S	*	*				163.1	127.7	120	-83.8	-71.2	178.5	0	0	113.7
283	N	28.5	Very low	29.2	Very low	123 Å²	123	148.2 Å²	148.2	66%	0.658	77%	0.774	S	S	*	*			trans	51.7	113.3	140.6	-62.6	-26.6	0	0	0	123.4
284	I	25.9	Very low	28.9	Very low	142 Å²	142	148 Å²	148	73%	0.728	78%	0.777	S	S	*	*				38.9	109.8	114.4	-51.2	161.5	0	0	0	117.7
285	R	27.9	Very low	28.8	Very low	244 Å²	244	148.8 Å²	148.8	92%	0.921	78%	0.781	S	S	*	*			trans	-169.4	161.1	133	-108.6	162.2	-128	-145	-0.2	115.6
286	N	25	Very low	28.9	Very low	140 Å²	140	147.2 Å²	147.2	75%	0.749	78%	0.781	S	S	*	*			trans	-69.4	156.3	-165.4	-51.6	-15.6	0	0	0	116.8
287	S	24.3	Very low	28.8	Very low	104 Å²	104	143.3 Å²	143.3	73%	0.727	78%	0.779	S	S	*	*			trans	51.8	121.1	134.9	65.8	0	0	0	0	122.4
288	T	27.4	Very low	29	Very low	134 Å²	134	142.7 Å²	142.7	82%	0.822	79%	0.785	S	S	*	*				-156.3	149.4	126.2	23	0	0	0	0	110.6
289	P	27.3	Very low	28.9	Very low	98 Å²	98	141.9 Å²	141.9	64%	0.636	79%	0.786	S	S	*	*			trans	-77.6	165.5	167.1	33.9	-34.1	0	0	0	111.5	D291	P289-D291 PolarHBondContact O-N 3.35Å; P289-D291 VanDerWaalsContact O-N 3.12Å
290	M	28.1	Very low	29.3	Very low	192 Å²	192	140.6 Å²	140.6	95%	0.946	79%	0.79	S	S	*	*			trans	-69	103.1	-174.7	-70	-92.1	-69.8	0	0	113.3
291	D	31.3	Very low	29.2	Very low	154 Å²	154	138.7 Å²	138.7	82%	0.824	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-71.3	141.2	158.2	-88.3	-46.8	0	0	0	111	P289	P289-D291 PolarHBondContact O-N 3.35Å; P289-D291 VanDerWaalsContact O-N 3.12Å
292	M	32.4	Very low	29.4	Very low	137 Å²	137	139.4 Å²	139.4	68%	0.675	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-91.9	130	173	-163.6	176	-169.6	0	0	109.1	I294	M292-I294 PolarHBondContact O-N 2.87Å
293	P	32.4	Very low	29.6	Very low	114 Å²	114	137.7 Å²	137.7	74%	0.74	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66	129.6	-165.9	23.6	-34.4	0	0	0	113.3	V295	P293-V295 PolarHBondContact O-N 2.87Å
294	I	28	Very low	29.6	Very low	163 Å²	163	139.3 Å²	139.3	84%	0.836	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-71.4	122.5	170.7	-62	167.7	0	0	0	108.6	M292	M292-I294 PolarHBondContact O-N 2.87Å
295	V	31.1	Very low	30	Very low	132 Å²	132	142.3 Å²	142.3	80%	0.8	80%	0.804	S	S	*	*			trans	-99.5	105.5	166.5	-179.1	0	0	0	0	108.1	P293	P293-V295 PolarHBondContact O-N 2.87Å
296	S	31.8	Very low	30	Very low	101 Å²	101	141 Å²	141	71%	0.706	81%	0.805	S	S	*	*			trans	-77.1	137.9	173.9	48.3	0	0	0	0	111.4
297	N	27.7	Very low	30.1	Very low	169 Å²	169	144.1 Å²	144.1	90%	0.904	81%	0.812	S	S	*	*			trans	-68.5	137.7	176.2	-75.7	-23.7	0	0	0	112
298	S	34.1	Very low	30.3	Very low	118 Å²	118	150.7 Å²	150.7	83%	0.825	82%	0.82	S	S	*	*			trans	-113.6	141.1	158.9	57.1	0	0	0	0	109.9
299	T	30.1	Very low	30.5	Very low	151 Å²	151	150.7 Å²	150.7	93%	0.926	83%	0.826	S	S	*	*			trans	-76.7	138.4	-175.1	48	0	0	0	0	113.3
300	G	32.6	Very low	30.5	Very low	76 Å²	76	149.5 Å²	149.5	78%	0.784	83%	0.831	S	S	*	*			trans	-166.4	144.4	170	0	0	0	0	0	110.2
301	T	30.5	Very low	30.7	Very low	128 Å²	128	144 Å²	144	79%	0.785	81%	0.812	S	S	*	*			trans	-105.1	164.3	-166.9	62.4	0	0	0	0	114.8
302	D	30.8	Very low	31.1	Very low	145 Å²	145	140.2 Å²	140.2	78%	0.775	79%	0.791	S	S	*	*			trans	83.5	154.8	150.3	-71.5	-61	0	0	0	123.6
303	V	35.1	Very low	31.6	Very low	126 Å²	126	137 Å²	137	76%	0.764	78%	0.78	S	S	*	*			trans	65.4	89.8	168.7	-156.1	0	0	0	0	119.3
304	N	28.3	Very low	32.2	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	77%	0.77	S	S	*	*			trans	25.1	100.9	135.4	-74.5	-40.4	0	0	0	119.2
305	K	33.4	Very low	33	Very low	204 Å²	204	134.4 Å²	134.4	89%	0.887	75%	0.751	S	S	*	*			trans	-146.7	136.6	149.7	-112	161.9	-172.3	169.6	0	111.7	K307	K305-K307 PolarHBondContact O-N 3.21Å
306	K	28	Very low	33.6	Very low	218 Å²	218	129 Å²	129	95%	0.948	72%	0.717	S	S	*	*			trans	-71.8	82.2	-168.3	-166.1	171.1	-176.2	173.3	0	112.1	R308	K306-R308 PolarHBondContact O-N 2.88Å
307	K	28.4	Very low	34.1	Very low	204 Å²	204	125.3 Å²	125.3	89%	0.887	69%	0.689	S	S	*	*			trans	-82.5	101.8	-170.6	-160.7	172.2	-173.4	176.4	0	111.9	K305 S309	K305-K307 PolarHBondContact O-N 3.21Å; K307-S309 PolarHBondContact O-N 2.92Å
308	R	28.4	Very low	34.8	Very low	242 Å²	242	123.2 Å²	123.2	91%	0.913	67%	0.672	S	S	*	*			trans	-59	129.1	169.5	-97.6	-178.5	164.4	174.9	-5.9	109.6	K306 G310	K306-R308 PolarHBondContact O-N 2.88Å; R308-G310 PolarHBondContact O-N 3.01Å
309	S	29.7	Very low	35	Very low	134 Å²	134	121.3 Å²	121.3	94%	0.937	66%	0.658	S	S	*	*			trans	-73.5	121.6	172.1	-169.8	0	0	0	0	109.3	K307	K307-S309 PolarHBondContact O-N 2.92Å
310	G	29.3	Very low	35.5	Very low	73 Å²	73	115.9 Å²	115.9	75%	0.753	62%	0.622	S	S	*	*			trans	-173.3	45.2	-170	0	0	0	0	0	112.7	R308	R308-G310 PolarHBondContact O-N 3.01Å
311	S	31	Very low	35.6	Very low	76 Å²	76	114 Å²	114	53%	0.531	60%	0.596	S	S	.	*			trans	-159.7	112.9	177.5	-174.3	0	0	0	0	111.7	R314	S311-R314 PolarHBondContact OG-NH2 3.05Å
312	L	40.4	Very low	36	Very low	76 Å²	76	112.5 Å²	112.5	40%	0.398	58%	0.58	S	S	.	*	S	Bend	trans	-168.3	-30.7	151.6	-107.2	168.7	0	0	0	111.9	R314 V409	L312-R314 PolarHBondContact O-N 3.29Å; L312-V409 HydrophobicContact CD1-CG1 4.06Å
313	T	43.4	Very low	36	Very low	70 Å²	70	115.5 Å²	115.5	43%	0.429	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-54.5	-22.9	-178	48.3	0	0	0	0	116.3	N315 L316	T313-N315 PolarHBondContact O-N 3.14Å; T313-L316 PolarHBondContact O-N 2.89Å
314	R	43.2	Very low	35.7	Very low	142 Å²	142	115.3 Å²	115.3	54%	0.536	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-61.7	-6.5	-175.7	-79	-175.4	-70.2	178.1	-3.3	116.4	S311 L312 K318	S311-R314 PolarHBondContact OG-NH2 3.05Å; L312-R314 PolarHBondContact O-N 3.29Å; R314-K318 PolarHBondContact O-NZ 3.33Å
315	N	44.9	Very low	35.8	Very low	80 Å²	80	114.7 Å²	114.7	43%	0.428	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-97.7	-23.5	174.5	-73.4	-7.9	0	0	0	113.9	T313 L317 K318	T313-N315 PolarHBondContact O-N 3.14Å; N315-L317 PolarHBondContact O-N 2.75Å; N315-K318 PolarHBondContact O-N 2.79Å
316	L	44.5	Very low	35.6	Very low	17 Å²	17	113.7 Å²	113.7	9%	0.089	57%	0.573	C	S	.	*	G	3₁₀ helix	trans	-65.5	-45.5	-170.1	-59.7	177.9	0	0	0	112.6	T313 K318 D410	T313-L316 PolarHBondContact O-N 2.89Å; L316-K318 VanDerWaalsContact C-N 3.26Å; L316-K318 PolarHBondContact O-N 2.78Å; L316-D410 VanDerWaalsContact CD2-O 3.23Å; L316-D410 WeakPolarHBondContact CD2-O 3.37Å
317	L	42.2	Very low	35.4	Very low	25 Å²	25	110.6 Å²	110.6	13%	0.131	57%	0.567	C	S	.	*	G	3₁₀ helix	trans	-66.9	-23.8	-179.3	-68.2	155.3	0	0	0	113.5	N315 C319 I380 L384 T392 D460	N315-L317 PolarHBondContact O-N 2.75Å; L317-C319 VanDerWaalsContact C-N 3.3Å; L317-C319 PolarHBondContact O-N 2.87Å; L317-I380 HydrophobicContact CD1-CG2 3.43Å; L317-I380 VanDerWaalsContact CD1-CG2 3.43Å; L317-I380 HydrophobicContact CD2-CG2 4.21Å; L317-I380 HydrophobicContact CG-CG2 4.47Å; L317-L384 HydrophobicContact CD1-CD1 3.84Å; L317-T392 HydrophobicContact CD1-CG2 4.2Å; L317-T392 HydrophobicContact CD2-CG2 4.48Å; L317-T392 HydrophobicContact CG-CG2 4.47Å; L317-D460 HydrophobicContact CD2-CB 3.87Å
318	K	42	Very low	35.4	Very low	124 Å²	124	108.1 Å²	108.1	54%	0.539	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-80	-11.7	-172.7	-73.1	175.1	179	116.7	0	113.6	R314 N315 L316 D381	R314-K318 PolarHBondContact O-NZ 3.33Å; N315-K318 PolarHBondContact O-N 2.79Å; L316-K318 VanDerWaalsContact C-N 3.26Å; L316-K318 PolarHBondContact O-N 2.78Å; K318-D381 IonicContact NZ-OD2 2.83Å
319	C	39.7	Very low	35.4	Very low	79 Å²	79	102.6 Å²	102.6	53%	0.534	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-82.8	-23.5	-177.8	-65	0	0	0	0	114.3	L317	L317-C319 VanDerWaalsContact C-N 3.3Å; L317-C319 PolarHBondContact O-N 2.87Å
320	F	40.6	Very low	35.6	Very low	37 Å²	37	101.8 Å²	101.8	16%	0.162	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-0.8	-169.3	-61.8	-72.6	0	0	0	115.5	H322 L395 N433 Y440	F320-H322 PolarHBondContact O-N 2.82Å; F320-H322 PolarHBondContact O-ND1 3.42Å; F320-L395 HydrophobicContact CD2-CD1 3.97Å; F320-L395 HydrophobicContact CE2-CD1 3.64Å; F320-N433 HydrophobicContact CD1-CB 4.35Å; F320-N433 HydrophobicContact CE1-CB 4.13Å; F320-Y440 HydrophobicContact CE1-CG 4.3Å; F320-Y440 HydrophobicContact CE2-CD1 4.44Å; F320-Y440 AromaticContact CZ-CD1 3.75Å; F320-Y440 HydrophobicContact CZ-CD1 3.75Å; F320-Y440 HydrophobicContact CZ-CD2 4.33Å; F320-Y440 HydrophobicContact CZ-CE1 4.42Å; F320-Y440 AromaticContact CZ-CG 3.68Å; F320-Y440 HydrophobicContact CZ-CG 3.68Å
321	S	34.2	Very low	35.5	Very low	36 Å²	36	100.8 Å²	100.8	25%	0.252	54%	0.536	S	S	.	.	S	Bend	trans	-49.8	108.7	171.3	-175.5	0	0	0	0	110.6	R323 D377	S321-R323 PolarHBondContact O-N 2.97Å; S321-D377 PolarHBondContact OG-OD2 3.04Å
322	H	38.9	Very low	35.5	Very low	96 Å²	96	102.8 Å²	102.8	44%	0.444	55%	0.545	S	S	.	.			trans	-62.9	82.8	-163.6	-62.6	-54.4	0	0	0	113.9	F320	F320-H322 PolarHBondContact O-N 2.82Å; F320-H322 PolarHBondContact O-ND1 3.42Å
323	R	30.4	Very low	35.1	Very low	208 Å²	208	104.7 Å²	104.7	79%	0.785	55%	0.553	S	S	*	*			trans	-80.8	125.5	161.4	-62.5	176.5	-168.9	-94.4	-5.5	107.6	S321 I325	S321-R323 PolarHBondContact O-N 2.97Å; R323-I325 PolarHBondContact O-N 3.45Å
324	P	29	Very low	34.7	Very low	123 Å²	123	104.4 Å²	104.4	80%	0.799	55%	0.551	S	S	*	*			trans	-66.6	100.8	173.6	26.5	-32.9	0	0	0	109.3	K326	P324-K326 PolarHBondContact O-N 3.44Å
325	I	29.6	Very low	34.5	Very low	144 Å²	144	101 Å²	101	74%	0.738	55%	0.546	S	S	*	.			trans	-66.9	118.2	170.2	-60.7	178.3	0	0	0	106.6	R323 N327	R323-I325 PolarHBondContact O-N 3.45Å; I325-N327 PolarHBondContact O-N 2.79Å
326	K	29.1	Very low	33.9	Very low	184 Å²	184	101.6 Å²	101.6	80%	0.8	55%	0.553	S	S	*	*			trans	-68.9	125.5	172.9	-75.3	-174.8	172.9	-173	0	109.2	P324	P324-K326 PolarHBondContact O-N 3.44Å
327	N	25.2	Very low	33.6	Very low	152 Å²	152	109 Å²	109	81%	0.813	58%	0.579	S	S	*	*			trans	35	99.8	155.1	-58.2	19.3	0	0	0	117	I325	I325-N327 PolarHBondContact O-N 2.79Å
328	D	27.6	Very low	33.2	Very low	152 Å²	152	112.6 Å²	112.6	81%	0.813	60%	0.603	S	S	*	*				-128.6	136.7	126.5	-94.7	-43.3	0	0	0	108.1	I330	D328-I330 VanDerWaalsContact C-N 3.28Å; D328-I330 HydrophobicContact CB-CD1 4.49Å; D328-I330 PolarHBondContact O-N 2.99Å
329	S	29	Very low	32.6	Very low	126 Å²	126	110 Å²	110	88%	0.881	61%	0.612	S	S	*	*			trans	-84.7	64	-171.3	54.8	0	0	0	0	112.6
330	I	32.4	Very low	32	Very low	117 Å²	117	110.8 Å²	110.8	60%	0.6	62%	0.618	S	S	*	*	S	Bend	trans	-125.4	131.2	169	-70	88.5	0	0	0	108.3	D328 T332	D328-I330 VanDerWaalsContact C-N 3.28Å; D328-I330 HydrophobicContact CB-CD1 4.49Å; D328-I330 PolarHBondContact O-N 2.99Å; I330-T332 PolarHBondContact O-N 3.25Å
331	G	27.5	Very low	31.6	Very low	53 Å²	53	116.8 Å²	116.8	55%	0.546	65%	0.651	S	S	.	*			trans	-57.7	121	-162.5	0	0	0	0	0	116.1	M333	G331-M333 PolarHBondContact O-N 3.33Å; G331-M333 VanDerWaalsContact O-N 3.07Å
332	T	31.8	Very low	31.4	Very low	118 Å²	118	121.3 Å²	121.3	72%	0.724	67%	0.672	S	S	*	*			trans	-66.2	98	162	-50.4	0	0	0	0	109.1	I330 T334	I330-T332 PolarHBondContact O-N 3.25Å; T332-T334 PolarHBondContact O-N 2.86Å
333	M	32.1	Very low	31	Very low	116 Å²	116	120.6 Å²	120.6	57%	0.571	69%	0.69	S	S	*	*			trans	-77.1	63.5	170.2	-68.9	-101.7	67.8	0	0	110.4	G331	G331-M333 PolarHBondContact O-N 3.33Å; G331-M333 VanDerWaalsContact O-N 3.07Å
334	T	33.9	Very low	31.1	Very low	63 Å²	63	116.3 Å²	116.3	39%	0.387	69%	0.687	S	S	.	*			trans	-57.1	139.3	154.8	-54.7	0	0	0	0	107.1	T332 T336	T332-T334 PolarHBondContact O-N 2.86Å; T334-T336 HydrophobicContact CG2-CG2 4.02Å; T334-T336 PolarHBondContact O-N 2.82Å; T334-T336 PolarHBondContact O-OG1 3.1Å
335	V	40.4	Very low	31.2	Very low	71 Å²	71	117 Å²	117	43%	0.43	68%	0.684	S	S	.	*			trans	-78.3	66.3	174.6	-172.7	0	0	0	0	109	R337 I424 V432	V335-R337 VanDerWaalsContact C-N 3.3Å; V335-R337 HydrophobicContact CG1-CG 4.37Å; V335-R337 PolarHBondContact O-N 3.4Å; V335-I424 HydrophobicContact CG2-CG2 3.92Å; V335-V432 HydrophobicContact CG2-CB 4.15Å; V335-V432 HydrophobicContact CG2-CG2 3.82Å
336	T	31.6	Very low	31.4	Very low	93 Å²	93	119.7 Å²	119.7	57%	0.571	69%	0.694	S	S	*	*			trans	-69.8	84.6	176.4	32.3	0	0	0	0	110.2	T334 T338	T334-T336 HydrophobicContact CG2-CG2 4.02Å; T334-T336 PolarHBondContact O-N 2.82Å; T334-T336 PolarHBondContact O-OG1 3.1Å; T336-T338 WeakPolarHBondContact CB-OG1 3.49Å; T336-T338 PolarHBondContact O-N 2.94Å; T336-T338 VanDerWaalsContact O-N 3.17Å
337	R	37.5	Very low	31.8	Very low	171 Å²	171	117.7 Å²	117.7	65%	0.645	69%	0.692	S	S	*	*			trans	-66	-3.7	166.8	-75.8	-176.3	166.6	-139	-5.7	113.3	V335 G339	V335-R337 VanDerWaalsContact C-N 3.3Å; V335-R337 HydrophobicContact CG1-CG 4.37Å; V335-R337 PolarHBondContact O-N 3.4Å; R337-G339 PolarHBondContact O-N 2.99Å
338	T	34.5	Very low	32.9	Very low	102 Å²	102	121.8 Å²	121.8	63%	0.626	70%	0.696	S	S	*	*	S	Bend	trans	-63.4	100.7	163.3	53	0	0	0	0	109.9	T336 S340	T336-T338 WeakPolarHBondContact CB-OG1 3.49Å; T336-T338 PolarHBondContact O-N 2.94Å; T336-T338 VanDerWaalsContact O-N 3.17Å; T338-S340 PolarHBondContact O-N 3.33Å
339	G	28.6	Very low	34.2	Very low	70 Å²	70	122.6 Å²	122.6	72%	0.722	69%	0.694	S	S	*	*			trans	-56.4	127	166.5	0	0	0	0	0	109.8	R337 L341	R337-G339 PolarHBondContact O-N 2.99Å; G339-L341 PolarHBondContact O-N 2.82Å; G339-L341 VanDerWaalsContact O-N 3.08Å
340	S	28.3	Very low	35.9	Very low	95 Å²	95	119.3 Å²	119.3	66%	0.664	67%	0.67	S	S	*	*			trans	-67.6	109.3	177.7	-159.8	0	0	0	0	109.2	T338 D342	T338-S340 PolarHBondContact O-N 3.33Å; S340-D342 WeakPolarHBondContact CB-OD2 3.22Å; S340-D342 PolarHBondContact OG-OD2 3.33Å
341	L	32.2	Very low	37.8	Very low	163 Å²	163	117.2 Å²	117.2	85%	0.853	66%	0.663	S	S	*	*			trans	-101.2	79.6	165.7	-165.9	77.4	0	0	0	108	G339 G343	G339-L341 PolarHBondContact O-N 2.82Å; G339-L341 VanDerWaalsContact O-N 3.08Å; L341-G343 PolarHBondContact O-N 2.85Å
342	D	30.8	Very low	40.4	Very low	130 Å²	130	116.4 Å²	116.4	70%	0.695	65%	0.645	S	S	*	*			trans	-61.3	128.9	180	-73.4	-82.2	0	0	0	112.2	S340	S340-D342 WeakPolarHBondContact CB-OD2 3.22Å; S340-D342 PolarHBondContact OG-OD2 3.33Å
343	G	30.2	Very low	43.1	Very low	81 Å²	81	111.9 Å²	111.9	84%	0.835	62%	0.615	S	S	*	*	S	Bend	trans	73.9	43.7	146.8	0	0	0	0	0	119.9	L341	L341-G343 PolarHBondContact O-N 2.85Å
344	V	32.4	Very low	45.9	Very low	118 Å²	118	107 Å²	107	72%	0.715	59%	0.592	S	S	*	*			trans	-127.3	127.5	165.9	-176.7	0	0	0	0	113.9
345	N	29.7	Very low	48.8	Very low	138 Å²	138	104.2 Å²	104.2	74%	0.738	58%	0.575	S	S	*	*			trans	61.4	107.7	165.5	-72	-21.4	0	0	0	120.6	N347	N345-N347 VanDerWaalsContact C-N 3.25Å; N345-N347 PolarHBondContact O-N 3.38Å
346	Q	35.2	Very low	51.3	Low	201 Å²	201	101.2 Å²	101.2	94%	0.939	56%	0.556	S	S	*	*	S	Bend	trans	-68.6	71.7	158.4	-61.6	174.1	2	0	0	111.4
347	N	36.8	Very low	54.2	Low	141 Å²	141	99 Å²	99	75%	0.754	54%	0.541	S	S	*	.			trans	-156	38.6	171.8	-116.6	-22.1	0	0	0	113.9	N345 H349	N345-N347 VanDerWaalsContact C-N 3.25Å; N345-N347 PolarHBondContact O-N 3.38Å; N347-H349 PolarHBondContact O-N 2.97Å
348	R	49.3	Very low	56.9	Low	239 Å²	239	91 Å²	91	90%	0.902	51%	0.511	S	S	*	.			trans	-69	104.8	172.5	-71.1	-172.2	-179.8	-177.5	1.5	109.8
349	H	54.1	Low	59.6	Low	168 Å²	168	86.6 Å²	86.6	78%	0.778	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-54.5	135.5	163.8	-76.4	-56	0	0	0	109.5	N347 V351	N347-H349 PolarHBondContact O-N 2.97Å; H349-V351 PolarHBondContact O-N 2.85Å
350	P	65	Low	62.7	Low	58 Å²	58	83.5 Å²	83.5	38%	0.377	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-64.9	130.2	-177.4	25.7	-34	0	0	0	110.5	L191 I352	L191-P350 HydrophobicContact CD1-CB 4.44Å; L191-P350 HydrophobicContact CD1-CG 3.29Å; L191-P350 HydrophobicContact CD2-CG 3.87Å; L191-P350 HydrophobicContact CG-CG 4.22Å; P350-I352 WeakPolarHBondContact O-CG1 3.36Å; P350-I352 PolarHBondContact O-N 3.38Å
351	V	72.4	Confident	65.6	Low	73 Å²	73	79 Å²	79	44%	0.442	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-69.2	125.4	-174.6	-173.1	0	0	0	0	110	H349 W516	H349-V351 PolarHBondContact O-N 2.85Å; V351-W516 HydrophobicContact CG1-CZ2 3.76Å
352	I	81.6	Confident	68.4	Low	36 Å²	36	73.4 Å²	73.4	19%	0.185	39%	0.392	C	S	.	.			trans	-96.4	105.7	-171.6	-50.8	-176.8	0	0	0	109.8	I183 E184 Q187 R188 P350 S354	I183-I352 HydrophobicContact CG2-CG2 3.82Å; E184-I352 HydrophobicContact CB-CD1 4.1Å; E184-I352 HydrophobicContact CG-CD1 3.82Å; Q187-I352 HydrophobicContact CB-CD1 4.27Å; Q187-I352 HydrophobicContact CB-CG2 4.12Å; Q187-I352 HydrophobicContact CG-CD1 4.41Å; Q187-I352 HydrophobicContact CG-CG1 4.23Å; Q187-I352 HydrophobicContact CG-CG2 4.29Å; R188-I352 HydrophobicContact CG-CD1 4.5Å; P350-I352 WeakPolarHBondContact O-CG1 3.36Å; P350-I352 PolarHBondContact O-N 3.38Å; I352-S354 PolarHBondContact O-N 3Å
353	R	88	Confident	71.2	Confident	22 Å²	22	68.7 Å²	68.7	8%	0.083	37%	0.366	C	S	.	.			trans	-55.7	126.7	169.6	-64.7	-178.7	-178.6	160	5.2	109.3	L91 F92 I183 N233 E512 D513 W516	L91-R353 HydrophobicContact CB-CB 4.49Å; L91-R353 WeakPolarHBondContact O-CD 3.37Å; F92-R353 HydrophobicContact CB-CB 4.15Å; I183-R353 WeakPolarHBondContact CG2-O 3.46Å; N233-R353 PolarHBondContact O-NH1 3.29Å; R353-E512 IonicContact CZ-OE1 3.64Å; R353-E512 IonicContact NH1-OE1 2.71Å; R353-E512 PolarHBondContact NH1-OE1 3.42Å; R353-E512 PolarHBondContact NH2-O 2.96Å; R353-E512 IonicContact NH2-OE1 3.54Å; R353-D513 IonicContact CZ-OD1 3.93Å; R353-D513 IonicContact NH2-OD1 3.78Å; R353-D513 PolarHBondContact NH2-OD1 3.5Å; R353-W516 HydrophobicContact CG-CD2 3.89Å; R353-W516 HydrophobicContact CG-CE3 4.43Å; R353-W516 HydrophobicContact CG-CG 4.06Å
354	S	91.5	Very high	74.1	Confident	14 Å²	14	70.6 Å²	70.6	10%	0.098	37%	0.367	C	S	.	.			trans	-149.4	-103.2	177	55.8	0	0	0	0	111.4	L91 F92 I352	L91-S354 WeakPolarHBondContact CB-O 3.27Å; L91-S354 PolarHBondContact N-O 2.99Å; L91-S354 VanDerWaalsContact N-O 3.07Å; F92-S354 VanDerWaalsContact CD1-O 3.24Å; F92-S354 WeakPolarHBondContact CD1-O 3.49Å; F92-S354 VanDerWaalsContact CE1-O 3.24Å; F92-S354 WeakPolarHBondContact CE1-O 3.26Å; I352-S354 PolarHBondContact O-N 3Å
355	Y	94.8	Very high	76.9	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.016	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.4	-177	-58.8	-62.5	0	0	0	111.5	V88 R89 F92 F109 L115 W126 I177 P178 I183	V88-Y355 HydrophobicContact CB-CG 4.44Å; V88-Y355 HydrophobicContact CG2-CD1 3.9Å; V88-Y355 HydrophobicContact CG2-CG 4.09Å; R89-Y355 WeakPolarHBondContact O-CA 3.37Å; F92-Y355 HydrophobicContact CE1-CD1 4.38Å; F92-Y355 AromaticContact CE1-CE1 3.9Å; F92-Y355 HydrophobicContact CE1-CE1 3.9Å; F92-Y355 HydrophobicContact CZ-CE1 4.23Å; F109-Y355 HydrophobicContact CE1-CE1 4.35Å; F109-Y355 HydrophobicContact CE2-CE1 4.19Å; F109-Y355 AromaticContact CZ-CE1 3.7Å; F109-Y355 HydrophobicContact CZ-CE1 3.7Å; F109-Y355 WeakPolarHBondContact CZ-OH 3.24Å; L115-Y355 HydrophobicContact CD1-CE1 4.02Å; W126-Y355 HydrophobicContact CE3-CD2 4.31Å; W126-Y355 HydrophobicContact CE3-CE2 4.12Å; W126-Y355 HydrophobicContact CH2-CD2 4.46Å; W126-Y355 AromaticContact CZ3-CD2 3.66Å; W126-Y355 HydrophobicContact CZ3-CD2 3.66Å; W126-Y355 AromaticContact CZ3-CE2 3.9Å; W126-Y355 HydrophobicContact CZ3-CE2 3.9Å; I177-Y355 HydrophobicContact CD1-CE1 4.29Å; P178-Y355 VanDerWaalsContact O-CE2 3.22Å; P178-Y355 WeakPolarHBondContact O-CE2 3.17Å; P178-Y355 PolarHBondContact O-OH 3.33Å; I183-Y355 HydrophobicContact CD1-CD2 4.22Å; I183-Y355 HydrophobicContact CD1-CE2 3.54Å
356	D	92	Very high	80.1	Confident	9 Å²	9	62.1 Å²	62.1	5%	0.048	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.4	171.8	-168.1	27.7	0	0	0	109.3	V88 R89 L91 V358 R517	V88-D356 CarbonylContact C-O 3.53Å; V88-D356 WeakPolarHBondContact CA-O 3.45Å; V88-D356 WeakPolarHBondContact CB-O 3.49Å; R89-D356 HydrophobicContact CB-CB 4.35Å; R89-D356 IonicContact CZ-OD2 2.74Å; R89-D356 PolarHBondContact N-O 3.48Å; R89-D356 IonicContact NE-OD2 3.02Å; R89-D356 IonicContact NH2-OD2 3.08Å; R89-D356 PolarHBondContact NH2-OD2 3.36Å; R89-D356 PolarHBondContact O-N 2.93Å; L91-D356 HydrophobicContact CD1-CB 4.01Å; L91-D356 HydrophobicContact CD2-CB 4Å; L91-D356 HydrophobicContact CG-CB 4.22Å; D356-V358 PolarHBondContact O-N 3.31Å; D356-R517 VanDerWaalsContact CG-NH1 3.26Å; D356-R517 IonicContact OD1-CZ 3.73Å; D356-R517 VanDerWaalsContact OD1-CZ 3.27Å; D356-R517 IonicContact OD1-NH1 3.26Å; D356-R517 PolarHBondContact OD1-NH1 2.98Å; D356-R517 IonicContact OD1-NH2 2.69Å; D356-R517 PolarHBondContact OD1-NH2 2.88Å; D356-R517 IonicContact OD2-CZ 3.23Å; D356-R517 IonicContact OD2-NH1 2.69Å; D356-R517 IonicContact OD2-NH2 2.75Å; D356-R517 PolarHBondContact OD2-NH2 2.71Å; D356-R517 VanDerWaalsContact OD2-NH2 3.14Å
357	L	94	Very high	83.1	Confident	47 Å²	47	53.7 Å²	53.7	25%	0.246	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	122.9	178.4	-112.2	170.5	0	0	0	109.1	M86 P550 S551	M86-L357 HydrophobicContact CB-CD2 4.45Å; M86-L357 HydrophobicContact CE-CD1 4.09Å; M86-L357 HydrophobicContact CE-CD2 3.69Å; M86-L357 HydrophobicContact CE-CG 3.97Å; L357-P550 CarbonylContact O-C 3.6Å; L357-P550 WeakPolarHBondContact O-CA 3.47Å; L357-S551 WeakPolarHBondContact O-CB 3.33Å; L357-S551 PolarHBondContact O-N 3.19Å
358	V	94.1	Very high	86	Confident	3 Å²	3	47 Å²	47	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	156.2	-173.5	-66.2	0	0	0	0	112.6	Y87 R89 D356 W548 V549	Y87-V358 PolarHBondContact O-N 3.27Å; R89-V358 HydrophobicContact CB-CG1 3.82Å; R89-V358 HydrophobicContact CB-CG2 4.43Å; D356-V358 PolarHBondContact O-N 3.31Å; V358-W548 HydrophobicContact CB-CE3 3.95Å; V358-W548 HydrophobicContact CG2-CD2 4.48Å; V358-W548 HydrophobicContact CG2-CE3 3.54Å; V358-W548 HydrophobicContact CG2-CZ3 4.18Å; V358-V549 CarbonylContact C-O 3.51Å; V358-V549 WeakPolarHBondContact CA-O 3.22Å; V358-V549 WeakPolarHBondContact CB-O 3.36Å
359	V	91.5	Very high	88.3	Confident	8 Å²	8	35.6 Å²	35.6	5%	0.048	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.7	176.4	-63.3	0	0	0	0	111.3	V361 W548 V549	V359-V361 HydrophobicContact CG2-CG2 4.31Å; V359-W548 VanDerWaalsContact C-CZ3 3.45Å; V359-V549 HydrophobicContact CG2-CG2 3.94Å; V359-V549 PolarHBondContact N-O 3.07Å; V359-V549 PolarHBondContact O-N 3.18Å
360	P	91.8	Very high	90.4	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.032	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	133.8	174.1	28.8	-29	0	0	0	110.5	V546 I547 W548 C561 L562 T563	P360-V546 HydrophobicContact CB-CG1 3.93Å; P360-I547 WeakPolarHBondContact CA-O 3.29Å; P360-W548 HydrophobicContact CB-CH2 3.54Å; P360-W548 HydrophobicContact CB-CZ2 3.66Å; P360-W548 HydrophobicContact CB-CZ3 4.2Å; P360-W548 VanDerWaalsContact CD-CH2 3.44Å; P360-W548 HydrophobicContact CG-CH2 3.71Å; P360-W548 HydrophobicContact CG-CZ2 4.31Å; P360-W548 HydrophobicContact CG-CZ3 4.29Å; P360-C561 WeakPolarHBondContact O-CA 3.39Å; P360-C561 PolarHBondContact O-SG 2.93Å; P360-C561 VanDerWaalsContact O-SG 3.33Å; P360-L562 HydrophobicContact CB-CB 4.33Å; P360-L562 HydrophobicContact CG-CB 4.18Å; P360-L562 PolarHBondContact O-N 3.2Å; P360-T563 HydrophobicContact CG-CG2 3.59Å
361	V	89.7	Confident	91.9	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.8	179.6	159.6	0	0	0	0	110.1	V359 I363 V546 I547 V549 V559 Q560 C561	V359-V361 HydrophobicContact CG2-CG2 4.31Å; V361-I363 HydrophobicContact CG1-CG2 4.21Å; V361-V546 CarbonylContact O-C 3.51Å; V361-V546 WeakPolarHBondContact O-CA 3.46Å; V361-I547 HydrophobicContact CB-CG1 4.37Å; V361-I547 HydrophobicContact CG1-CG1 4.41Å; V361-I547 PolarHBondContact N-O 3.42Å; V361-I547 PolarHBondContact O-N 2.92Å; V361-V549 HydrophobicContact CB-CG1 4.35Å; V361-V549 HydrophobicContact CB-CG2 4.21Å; V361-V549 HydrophobicContact CG2-CG2 3.54Å; V361-V559 HydrophobicContact CB-CG1 4.24Å; V361-V559 HydrophobicContact CG1-CB 4.47Å; V361-V559 HydrophobicContact CG1-CG1 3.73Å; V361-V559 HydrophobicContact CG2-CG1 3.43Å; V361-V559 VanDerWaalsContact CG2-CG1 3.43Å; V361-Q560 WeakPolarHBondContact CA-O 3.43Å; V361-C561 HydrophobicContact CG2-CB 4.29Å
362	T	90.7	Very high	93.1	Very high	46 Å²	46	22.3 Å²	22.3	28%	0.282	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	131.5	169	-57.3	0	0	0	0	110.4	P545 Q560 L562	T362-P545 CarbonylContact C-O 3.54Å; T362-P545 WeakPolarHBondContact CA-O 3.43Å; T362-Q560 PolarHBondContact N-O 3.5Å; T362-L562 WeakPolarHBondContact OG1-CD2 3.46Å
363	I	90.7	Very high	93.7	Very high	31 Å²	31	21.7 Å²	21.7	16%	0.159	13%	0.131	C	C	.	.			trans	-113.5	146.8	171.5	55.6	170.2	0	0	0	111.1	V361 M365 R367 P545 I547	V361-I363 HydrophobicContact CG1-CG2 4.21Å; I363-M365 WeakPolarHBondContact CD1-O 3.46Å; I363-R367 HydrophobicContact CD1-CG 3.67Å; I363-P545 WeakPolarHBondContact CG1-O 3.48Å; I363-P545 PolarHBondContact N-O 2.95Å; I363-I547 HydrophobicContact CD1-CD1 4.17Å; I363-I547 HydrophobicContact CD1-CG1 4.38Å; I363-I547 HydrophobicContact CD1-CG2 3.68Å; I363-I547 HydrophobicContact CG1-CG1 4.41Å; I363-I547 HydrophobicContact CG1-CG2 4.07Å; I363-I547 HydrophobicContact CG2-CD1 3.72Å; I363-I547 HydrophobicContact CG2-CG1 3.97Å
364	S	89.8	Confident	94	Very high	121 Å²	121	21 Å²	21	85%	0.846	13%	0.129	S	C	*	.	S	Bend	trans	-103.4	2.2	-176.8	55.4	0	0	0	0	114.5
365	M	93	Very high	94.2	Very high	59 Å²	59	21.3 Å²	21.3	29%	0.291	13%	0.13	S	C	.	.	S	Bend	trans	-139.9	161.5	-177.8	56.3	-176	150.7	0	0	110	I363 L451 Q452 L474	I363-M365 WeakPolarHBondContact CD1-O 3.46Å; M365-L451 HydrophobicContact CB-CB 4.37Å; M365-L451 WeakPolarHBondContact CB-O 3.35Å; M365-Q452 HydrophobicContact SD-CG 4.25Å; M365-L474 HydrophobicContact CE-CD2 3.44Å; M365-L474 VanDerWaalsContact CE-CD2 3.44Å; M365-L474 HydrophobicContact SD-CD2 3.68Å
366	A	96.4	Very high	94.2	Very high	19 Å²	19	22.2 Å²	22.2	16%	0.157	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-65.7	164.1	177.1	0	0	0	0	0	111.9	L451 R455 I456	A366-L451 HydrophobicContact CB-CD2 4.22Å; A366-L451 PolarHBondContact N-O 3.34Å; A366-L451 WeakPolarHBondContact O-CB 3.43Å; A366-L451 WeakPolarHBondContact O-CD2 3.35Å; A366-R455 WeakPolarHBondContact CB-O 3.24Å; A366-I456 HydrophobicContact CB-CG1 4.37Å
367	R	97.2	Very high	94.3	Very high	24 Å²	24	25 Å²	25	9%	0.091	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-91.9	147.1	174.6	-61.4	178.2	72.2	177.7	-1.4	111.3	I363 L451 F475 P476 I477 H542	I363-R367 HydrophobicContact CD1-CG 3.67Å; R367-L451 VanDerWaalsContact C-CD2 3.47Å; R367-L451 WeakPolarHBondContact O-CD2 3.49Å; R367-F475 PolarHBondContact NE-O 3.31Å; R367-P476 PolarHBondContact NH2-O 3.05Å; R367-I477 HydrophobicContact CB-CD1 4.33Å; R367-I477 HydrophobicContact CB-CG1 4.11Å; R367-H542 WeakPolarHBondContact CD-O 3.49Å; R367-H542 PolarHBondContact NH1-O 3.49Å
368	P	98	Very high	94.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-64	155.6	162.6	7	0.1	0	0	0	110.9	L451 C457 L459 L469 L474 P476 I477	P368-L451 HydrophobicContact CG-CD1 3.95Å; P368-C457 WeakPolarHBondContact CA-O 3.38Å; P368-L459 HydrophobicContact CB-CD1 3.81Å; P368-L469 HydrophobicContact CB-CD1 4.26Å; P368-L469 HydrophobicContact CG-CD1 4.09Å; P368-L469 HydrophobicContact CG-CD2 4.34Å; P368-L474 WeakPolarHBondContact CD-O 3.25Å; P368-L474 HydrophobicContact CG-CB 4.49Å; P368-L474 VanDerWaalsContact CG-O 3.27Å; P368-L474 WeakPolarHBondContact CG-O 3.26Å; P368-P476 HydrophobicContact CB-CB 4.27Å; P368-P476 HydrophobicContact CG-CB 4.04Å; P368-P476 CarbonylContact O-C 3.53Å; P368-P476 WeakPolarHBondContact O-CA 3.27Å; P368-I477 PolarHBondContact O-N 3.38Å
369	L	98.2	Very high	94.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.2	178.2	174.7	56.7	0	0	0	110.3	F371 L383 F390 I456 C457 I458 L459 I477 I479 V539	L369-F371 HydrophobicContact CD1-CE1 4.3Å; L369-F371 HydrophobicContact CD1-CE2 4.03Å; L369-F371 HydrophobicContact CD1-CZ 3.83Å; L369-F371 HydrophobicContact CD2-CE2 3.74Å; L369-F371 HydrophobicContact CD2-CZ 3.77Å; L369-F371 HydrophobicContact CG-CD2 4.34Å; L369-F371 HydrophobicContact CG-CE2 3.62Å; L369-F371 HydrophobicContact CG-CZ 3.86Å; L369-L383 HydrophobicContact CD2-CD1 4.42Å; L369-F390 HydrophobicContact CD2-CD1 4.02Å; L369-F390 HydrophobicContact CD2-CE1 3.58Å; L369-I456 HydrophobicContact CB-CG2 3.53Å; L369-I456 HydrophobicContact CD2-CG2 4.02Å; L369-I456 HydrophobicContact CG-CG2 4.45Å; L369-C457 PolarHBondContact N-O 3.06Å; L369-I458 HydrophobicContact CB-CG1 4.42Å; L369-I458 HydrophobicContact CD2-CD1 4.47Å; L369-I458 HydrophobicContact CD2-CG1 4.19Å; L369-I458 HydrophobicContact CG-CG1 4.49Å; L369-I458 WeakPolarHBondContact O-CA 3.25Å; L369-L459 PolarHBondContact O-N 3.01Å; L369-I477 WeakPolarHBondContact CA-O 3.41Å; L369-I477 HydrophobicContact CD1-CB 3.96Å; L369-I477 HydrophobicContact CD1-CG2 3.71Å; L369-I477 WeakPolarHBondContact CD1-O 3.37Å; L369-I479 HydrophobicContact CD1-CD1 4.1Å; L369-V539 HydrophobicContact CD1-CG2 3.96Å; L369-V539 HydrophobicContact CD2-CG2 3.87Å
370	I	97.6	Very high	94.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.5	-173.2	-46.2	179.1	0	0	0	109	F372 L459 V461 A466 L469 P476 I477 I479	I370-F372 HydrophobicContact CB-CE2 4.48Å; I370-F372 HydrophobicContact CG2-CD2 4.39Å; I370-F372 HydrophobicContact CG2-CE2 3.55Å; I370-F372 HydrophobicContact CG2-CZ 3.61Å; I370-L459 HydrophobicContact CG1-CB 4.34Å; I370-L459 HydrophobicContact CG1-CD1 4.42Å; I370-V461 HydrophobicContact CD1-CG2 4.2Å; I370-V461 HydrophobicContact CG2-CG2 4.25Å; I370-A466 HydrophobicContact CD1-CB 3.69Å; I370-L469 HydrophobicContact CD1-CD1 4.1Å; I370-P476 HydrophobicContact CD1-CB 3.76Å; I370-P476 HydrophobicContact CD1-CG 4.26Å; I370-P476 HydrophobicContact CG1-CB 4.18Å; I370-I477 PolarHBondContact N-O 3.47Å; I370-I479 PolarHBondContact O-N 2.89Å
371	F	97.2	Very high	95	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.2	-179.2	-68.7	-76.6	0	0	0	112.2	L369 K376 I379 I380 L383 I458 I479 L481 V535	L369-F371 HydrophobicContact CD1-CE1 4.3Å; L369-F371 HydrophobicContact CD1-CE2 4.03Å; L369-F371 HydrophobicContact CD1-CZ 3.83Å; L369-F371 HydrophobicContact CD2-CE2 3.74Å; L369-F371 HydrophobicContact CD2-CZ 3.77Å; L369-F371 HydrophobicContact CG-CD2 4.34Å; L369-F371 HydrophobicContact CG-CE2 3.62Å; L369-F371 HydrophobicContact CG-CZ 3.86Å; F371-K376 HydrophobicContact CB-CB 3.82Å; F371-K376 WeakPolarHBondContact O-CD 3.37Å; F371-I379 HydrophobicContact CE1-CG2 4.22Å; F371-I379 HydrophobicContact CZ-CG2 4.07Å; F371-I380 HydrophobicContact CD2-CD1 4.01Å; F371-I380 HydrophobicContact CD2-CG1 3.65Å; F371-I380 HydrophobicContact CE2-CG1 4.06Å; F371-L383 HydrophobicContact CE2-CD1 3.92Å; F371-L383 HydrophobicContact CZ-CD1 3.76Å; F371-I458 HydrophobicContact CD2-CG2 4.41Å; F371-I458 HydrophobicContact CE2-CG2 4.48Å; F371-I479 WeakPolarHBondContact CA-O 3.48Å; F371-I479 HydrophobicContact CD1-CB 3.97Å; F371-I479 HydrophobicContact CD1-CG2 4.21Å; F371-I479 HydrophobicContact CE1-CB 4.15Å; F371-I479 HydrophobicContact CE1-CD1 3.94Å; F371-I479 HydrophobicContact CE1-CG2 4.34Å; F371-L481 HydrophobicContact CD1-CD1 4.37Å; F371-V535 HydrophobicContact CE1-CB 4.42Å; F371-V535 HydrophobicContact CE1-CG1 3.6Å; F371-V535 HydrophobicContact CE1-CG2 3.87Å; F371-V535 HydrophobicContact CZ-CG1 3.54Å
372	F	96.4	Very high	95.3	Very high	16 Å²	16	32.6 Å²	32.6	7%	0.07	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	153.2	172.2	-65.4	-70.2	0	0	0	111.2	I370 V461 L463 T478 I479 L480 L481 I511	I370-F372 HydrophobicContact CB-CE2 4.48Å; I370-F372 HydrophobicContact CG2-CD2 4.39Å; I370-F372 HydrophobicContact CG2-CE2 3.55Å; I370-F372 HydrophobicContact CG2-CZ 3.61Å; F372-V461 VanDerWaalsContact CE1-O 3.3Å; F372-V461 WeakPolarHBondContact CE1-O 3.33Å; F372-V461 VanDerWaalsContact CZ-O 3.25Å; F372-V461 WeakPolarHBondContact CZ-O 3.2Å; F372-L463 HydrophobicContact CD2-CD2 3.88Å; F372-L463 HydrophobicContact CD2-CG 4.41Å; F372-L463 HydrophobicContact CE1-CD2 4.5Å; F372-L463 HydrophobicContact CE1-CG 4.04Å; F372-L463 HydrophobicContact CE2-CD2 3.35Å; F372-L463 HydrophobicContact CE2-CG 3.79Å; F372-L463 HydrophobicContact CZ-CD2 3.74Å; F372-L463 HydrophobicContact CZ-CG 3.6Å; F372-T478 HydrophobicContact CD2-CG2 3.91Å; F372-T478 HydrophobicContact CE2-CG2 3.69Å; F372-I479 PolarHBondContact N-O 3.4Å; F372-L480 HydrophobicContact CB-CD1 3.66Å; F372-L481 WeakPolarHBondContact O-CB 3.44Å; F372-L481 WeakPolarHBondContact O-CG 3.3Å; F372-L481 PolarHBondContact O-N 2.87Å; F372-I511 HydrophobicContact CB-CD1 4.41Å; F372-I511 HydrophobicContact CB-CG2 4.48Å; F372-I511 HydrophobicContact CD1-CD1 4.4Å
373	G	95.3	Very high	95.7	Very high	23 Å²	23	30.4 Å²	30.4	24%	0.237	17%	0.165	C	C	.	.	S	Bend	trans	89.3	-175.7	177.5	0	0	0	0	0	115.3	K376	G373-K376 WeakPolarHBondContact O-CB 3.37Å
374	P	94.8	Very high	95.9	Very high	9 Å²	9	31.2 Å²	31.2	6%	0.058	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	159.8	-173.1	-24.3	36.9	0	0	0	113.4	K376 L481 P483 L489 I508	P374-K376 PolarHBondContact O-N 3.3Å; P374-L481 WeakPolarHBondContact CD-O 3.5Å; P374-L481 VanDerWaalsContact O-CD1 3.25Å; P374-L481 WeakPolarHBondContact O-CD1 3.34Å; P374-P483 HydrophobicContact CB-CG 4.41Å; P374-P483 HydrophobicContact CG-CG 3.9Å; P374-L489 HydrophobicContact CB-CD1 3.54Å; P374-L489 HydrophobicContact CG-CD1 3.69Å; P374-L489 HydrophobicContact CG-CD2 4.11Å; P374-I508 HydrophobicContact CG-CD1 3.69Å
375	L	94.2	Very high	96.2	Very high	20 Å²	20	31.4 Å²	31.4	11%	0.105	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-4	-176.8	-50.9	177.1	0	0	0	116	D377 R378 I379 L492 Q493 Y525 F528	L375-D377 VanDerWaalsContact C-N 3.28Å; L375-D377 PolarHBondContact O-N 3.05Å; L375-D377 VanDerWaalsContact O-N 3.17Å; L375-R378 PolarHBondContact O-N 3.4Å; L375-I379 PolarHBondContact O-N 2.99Å; L375-L492 HydrophobicContact CD1-CD1 4.4Å; L375-L492 HydrophobicContact CD1-CD2 4.37Å; L375-Q493 HydrophobicContact CD2-CG 3.63Å; L375-Y525 HydrophobicContact CD1-CE2 3.59Å; L375-F528 HydrophobicContact CD1-CD2 4.27Å
376	K	95.6	Very high	96.2	Very high	22 Å²	22	34.5 Å²	34.5	10%	0.096	17%	0.174	C	C	.	.	H	α-helix	trans	-46.2	-50.1	-179.8	77.7	177.9	-175.2	65.5	0	112.5	F371 G373 P374 R378 I379 I380 D460 L481	F371-K376 HydrophobicContact CB-CB 3.82Å; F371-K376 WeakPolarHBondContact O-CD 3.37Å; G373-K376 WeakPolarHBondContact O-CB 3.37Å; P374-K376 PolarHBondContact O-N 3.3Å; K376-R378 VanDerWaalsContact C-N 3.26Å; K376-R378 PolarHBondContact O-N 2.84Å; K376-I379 PolarHBondContact O-N 3.4Å; K376-I379 VanDerWaalsContact O-N 3.1Å; K376-I380 VanDerWaalsContact O-CG1 3.23Å; K376-I380 WeakPolarHBondContact O-CG1 3.16Å; K376-I380 PolarHBondContact O-N 3.28Å; K376-D460 WeakPolarHBondContact CE-OD1 3.31Å; K376-D460 IonicContact NZ-OD1 3.26Å; K376-D460 PolarHBondContact NZ-OD1 3.47Å; K376-D460 IonicContact NZ-OD2 3.96Å; K376-D460 PolarHBondContact NZ-OD2 3.44Å; K376-L481 HydrophobicContact CB-CD1 3.98Å
377	D	95	Very high	96	Very high	68 Å²	68	35.8 Å²	35.8	36%	0.364	18%	0.178	S	C	.	.	H	α-helix	trans	-60.4	-36.5	-176.5	-55.5	-25.5	0	0	0	111.7	S321 L375 D381	S321-D377 PolarHBondContact OG-OD2 3.04Å; L375-D377 VanDerWaalsContact C-N 3.28Å; L375-D377 PolarHBondContact O-N 3.05Å; L375-D377 VanDerWaalsContact O-N 3.17Å; D377-D381 WeakPolarHBondContact O-CB 3.48Å; D377-D381 PolarHBondContact O-N 2.99Å
378	R	95.9	Very high	95.9	Very high	120 Å²	120	40.1 Å²	40.1	45%	0.453	21%	0.212	S	C	.	.	H	α-helix	trans	-76	-38.9	177.7	-170	-174.3	167.3	-161	-7.9	111.6	L375 K376 I380 D381 E382 F528	L375-R378 PolarHBondContact O-N 3.4Å; K376-R378 VanDerWaalsContact C-N 3.26Å; K376-R378 PolarHBondContact O-N 2.84Å; R378-I380 VanDerWaalsContact C-N 3.3Å; R378-D381 PolarHBondContact O-N 3.11Å; R378-E382 WeakPolarHBondContact O-CG 3.45Å; R378-E382 PolarHBondContact O-N 2.91Å; R378-F528 HydrophobicContact CB-CE2 3.87Å; R378-F528 HydrophobicContact CB-CZ 4.3Å; R378-F528 VanDerWaalsContact CD-CE2 3.44Å; R378-F528 HydrophobicContact CG-CD2 4.37Å; R378-F528 HydrophobicContact CG-CE1 4.46Å; R378-F528 HydrophobicContact CG-CE2 3.56Å; R378-F528 HydrophobicContact CG-CZ 3.61Å; R378-F528 VanDerWaalsContact CZ-CG 3.44Å; R378-F528 VanDerWaalsContact NH1-CG 3.26Å
379	I	96.6	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-42.6	174.2	-65.1	-177.7	0	0	0	109.9	F371 L375 K376 E382 L383 L481 F528 V531 L532 V535	F371-I379 HydrophobicContact CE1-CG2 4.22Å; F371-I379 HydrophobicContact CZ-CG2 4.07Å; L375-I379 PolarHBondContact O-N 2.99Å; K376-I379 PolarHBondContact O-N 3.4Å; K376-I379 VanDerWaalsContact O-N 3.1Å; I379-E382 PolarHBondContact O-N 3.4Å; I379-L383 HydrophobicContact CG2-CD1 3.91Å; I379-L383 HydrophobicContact CG2-CG 4.27Å; I379-L383 VanDerWaalsContact O-CG 3.29Å; I379-L383 WeakPolarHBondContact O-CG 3.45Å; I379-L383 PolarHBondContact O-N 3.49Å; I379-L481 HydrophobicContact CD1-CD1 3.76Å; I379-L481 HydrophobicContact CD1-CD2 4Å; I379-F528 HydrophobicContact CG1-CE2 3.74Å; I379-F528 HydrophobicContact CG1-CZ 4.27Å; I379-V531 HydrophobicContact CD1-CB 4.43Å; I379-V531 HydrophobicContact CD1-CG1 3.78Å; I379-V531 HydrophobicContact CD1-CG2 3.88Å; I379-V531 HydrophobicContact CG1-CG1 4.48Å; I379-L532 HydrophobicContact CG2-CD1 4.09Å; I379-V535 HydrophobicContact CD1-CG2 4.35Å; I379-V535 HydrophobicContact CG2-CG1 4.14Å; I379-V535 HydrophobicContact CG2-CG2 4.5Å
380	I	96.8	Very high	95.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-47.5	177.3	-63.5	166.2	0	0	0	111.2	L317 F371 K376 R378 E382 L383 L384 I458	L317-I380 HydrophobicContact CD1-CG2 3.43Å; L317-I380 VanDerWaalsContact CD1-CG2 3.43Å; L317-I380 HydrophobicContact CD2-CG2 4.21Å; L317-I380 HydrophobicContact CG-CG2 4.47Å; F371-I380 HydrophobicContact CD2-CD1 4.01Å; F371-I380 HydrophobicContact CD2-CG1 3.65Å; F371-I380 HydrophobicContact CE2-CG1 4.06Å; K376-I380 VanDerWaalsContact O-CG1 3.23Å; K376-I380 WeakPolarHBondContact O-CG1 3.16Å; K376-I380 PolarHBondContact O-N 3.28Å; R378-I380 VanDerWaalsContact C-N 3.3Å; I380-E382 VanDerWaalsContact C-N 3.3Å; I380-E382 PolarHBondContact O-N 2.66Å; I380-L383 PolarHBondContact O-N 2.95Å; I380-L384 HydrophobicContact CG2-CD1 3.6Å; I380-L384 HydrophobicContact CG2-CG 4.23Å; I380-L384 WeakPolarHBondContact O-CB 3.45Å; I380-L384 VanDerWaalsContact O-CG 3.29Å; I380-L384 WeakPolarHBondContact O-CG 3.44Å; I380-L384 PolarHBondContact O-N 3.31Å; I380-I458 HydrophobicContact CD1-CG2 4.08Å; I380-I458 HydrophobicContact CG1-CG2 3.88Å; I380-I458 HydrophobicContact CG2-CD1 4.38Å; I380-I458 HydrophobicContact CG2-CG2 3.89Å
381	D	96.2	Very high	95.7	Very high	56 Å²	56	44.7 Å²	44.7	30%	0.299	24%	0.235	S	C	.	.	H	α-helix	trans	-56.4	-41.3	174.8	-92.4	-21	0	0	0	111.4	K318 D377 R378 L385	K318-D381 IonicContact NZ-OD2 2.83Å; D377-D381 WeakPolarHBondContact O-CB 3.48Å; D377-D381 PolarHBondContact O-N 2.99Å; R378-D381 PolarHBondContact O-N 3.11Å; D381-L385 WeakPolarHBondContact O-CB 3.49Å; D381-L385 PolarHBondContact O-N 2.9Å; D381-L385 VanDerWaalsContact O-N 3.17Å
382	E	97	Very high	95.6	Very high	45 Å²	45	45.3 Å²	45.3	21%	0.21	24%	0.239	C	C	.	.	H	α-helix	trans	-70.7	-40.2	178.1	-69.3	-64.4	171.1	0	0	114	R378 I379 I380 L385 H386 F528 L532	R378-E382 WeakPolarHBondContact O-CG 3.45Å; R378-E382 PolarHBondContact O-N 2.91Å; I379-E382 PolarHBondContact O-N 3.4Å; I380-E382 VanDerWaalsContact C-N 3.3Å; I380-E382 PolarHBondContact O-N 2.66Å; E382-L385 PolarHBondContact O-N 3.22Å; E382-H386 WeakPolarHBondContact O-CB 3.32Å; E382-H386 PolarHBondContact O-N 3.1Å; E382-H386 VanDerWaalsContact O-N 3.13Å; E382-H386 PolarHBondContact O-ND1 3.45Å; E382-H386 IonicContact OE2-CE1 2.8Å; E382-H386 PolarHBondContact OE2-CE1 2.88Å; E382-H386 IonicContact OE2-ND1 2.98Å; E382-H386 PolarHBondContact OE2-ND1 3.47Å; E382-H386 VanDerWaalsContact OE2-ND1 3.08Å; E382-F528 HydrophobicContact CB-CZ 4.48Å; E382-F528 HydrophobicContact CG-CE1 3.76Å; E382-F528 HydrophobicContact CG-CZ 3.59Å; E382-L532 HydrophobicContact CB-CD1 4.16Å; E382-L532 HydrophobicContact CB-CD2 3.99Å; E382-L532 HydrophobicContact CG-CD2 4.22Å
383	L	97.1	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-47.6	178.1	-71	174	0	0	0	110.8	L369 F371 I379 I380 L385 H386 D387 F390 I458 L532 V535 K536	L369-L383 HydrophobicContact CD2-CD1 4.42Å; F371-L383 HydrophobicContact CE2-CD1 3.92Å; F371-L383 HydrophobicContact CZ-CD1 3.76Å; I379-L383 HydrophobicContact CG2-CD1 3.91Å; I379-L383 HydrophobicContact CG2-CG 4.27Å; I379-L383 VanDerWaalsContact O-CG 3.29Å; I379-L383 WeakPolarHBondContact O-CG 3.45Å; I379-L383 PolarHBondContact O-N 3.49Å; I380-L383 PolarHBondContact O-N 2.95Å; L383-L385 VanDerWaalsContact C-N 3.26Å; L383-L385 PolarHBondContact O-N 2.88Å; L383-H386 PolarHBondContact O-N 3Å; L383-D387 PolarHBondContact O-N 3.17Å; L383-D387 VanDerWaalsContact O-N 3.11Å; L383-F390 HydrophobicContact CB-CD2 4.01Å; L383-F390 HydrophobicContact CB-CE2 4.4Å; L383-F390 HydrophobicContact CB-CG 4.17Å; L383-F390 HydrophobicContact CD2-CD2 4.26Å; L383-F390 HydrophobicContact CD2-CE2 3.79Å; L383-F390 HydrophobicContact CD2-CZ 4.07Å; L383-I458 HydrophobicContact CB-CD1 4.1Å; L383-I458 HydrophobicContact CD1-CD1 4.11Å; L383-L532 HydrophobicContact CD2-CD1 4.08Å; L383-L532 HydrophobicContact CG-CD1 4.27Å; L383-V535 HydrophobicContact CD1-CG1 4.15Å; L383-K536 HydrophobicContact CD2-CD 4.47Å; L383-K536 HydrophobicContact CD2-CG 3.89Å
384	L	96.4	Very high	95.6	Very high	49 Å²	49	46 Å²	46	26%	0.257	24%	0.238	S	C	.	.	H	α-helix	trans	-68	-23.3	179.3	-66	172	0	0	0	113.5	L317 I380 F390 T392 I458	L317-L384 HydrophobicContact CD1-CD1 3.84Å; I380-L384 HydrophobicContact CG2-CD1 3.6Å; I380-L384 HydrophobicContact CG2-CG 4.23Å; I380-L384 WeakPolarHBondContact O-CB 3.45Å; I380-L384 VanDerWaalsContact O-CG 3.29Å; I380-L384 WeakPolarHBondContact O-CG 3.44Å; I380-L384 PolarHBondContact O-N 3.31Å; L384-F390 HydrophobicContact CD2-CB 4.07Å; L384-T392 HydrophobicContact CD1-CG2 3.7Å; L384-T392 HydrophobicContact CD2-CG2 4.16Å; L384-I458 HydrophobicContact CD2-CD1 4.12Å; L384-I458 HydrophobicContact CG-CD1 4.22Å
385	L	95.9	Very high	95.7	Very high	125 Å²	125	46.4 Å²	46.4	65%	0.654	24%	0.24	S	C	*	.	H	α-helix	trans	-83	-38.7	177.8	179.5	60.1	0	0	0	112.7	D381 E382 L383	D381-L385 WeakPolarHBondContact O-CB 3.49Å; D381-L385 PolarHBondContact O-N 2.9Å; D381-L385 VanDerWaalsContact O-N 3.17Å; E382-L385 PolarHBondContact O-N 3.22Å; L383-L385 VanDerWaalsContact C-N 3.26Å; L383-L385 PolarHBondContact O-N 2.88Å
386	H	93.3	Very high	95.8	Very high	124 Å²	124	46.7 Å²	46.7	57%	0.574	24%	0.24	S	C	*	.	H	α-helix	trans	-104.3	-16.8	-167.5	-70	106.2	0	0	0	115.4	E382 L383	E382-H386 WeakPolarHBondContact O-CB 3.32Å; E382-H386 PolarHBondContact O-N 3.1Å; E382-H386 VanDerWaalsContact O-N 3.13Å; E382-H386 PolarHBondContact O-ND1 3.45Å; E382-H386 IonicContact OE2-CE1 2.8Å; E382-H386 PolarHBondContact OE2-CE1 2.88Å; E382-H386 IonicContact OE2-ND1 2.98Å; E382-H386 PolarHBondContact OE2-ND1 3.47Å; E382-H386 VanDerWaalsContact OE2-ND1 3.08Å; L383-H386 PolarHBondContact O-N 3Å
387	D	92.2	Very high	95.9	Very high	46 Å²	46	45.6 Å²	45.6	25%	0.246	24%	0.236	C	C	.	.			trans	-139.7	116.3	-173.5	-176.9	-12.1	0	0	0	112.3	L383 Q389 F390	L383-D387 PolarHBondContact O-N 3.17Å; L383-D387 VanDerWaalsContact O-N 3.11Å; D387-Q389 PolarHBondContact O-N 2.97Å; D387-Q389 WeakPolarHBondContact OD1-CG 3.2Å; D387-Q389 PolarHBondContact OD1-N 2.38Å; D387-Q389 PolarHBondContact OD2-NE2 3.43Å; D387-F390 HydrophobicContact CB-CD2 3.82Å; D387-F390 HydrophobicContact CB-CE2 4.01Å; D387-F390 PolarHBondContact O-N 3.48Å; D387-F390 WeakPolarHBondContact OD2-CE2 3.42Å
388	S	94.1	Very high	96.1	Very high	114 Å²	114	43 Å²	43	80%	0.797	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.4	-176.8	48.5	0	0	0	0	115.3
389	Q	95.4	Very high	96.2	Very high	62 Å²	62	38.1 Å²	38.1	29%	0.29	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-25.6	171.3	83.7	-177.8	-69.7	0	0	111.9	D387 R455 I456	D387-Q389 PolarHBondContact O-N 2.97Å; D387-Q389 WeakPolarHBondContact OD1-CG 3.2Å; D387-Q389 PolarHBondContact OD1-N 2.38Å; D387-Q389 PolarHBondContact OD2-NE2 3.43Å; Q389-R455 CarbonylContact O-C 3.3Å; Q389-R455 WeakPolarHBondContact O-CA 3.19Å; Q389-R455 WeakPolarHBondContact O-CB 3.46Å; Q389-I456 HydrophobicContact CG-CD1 4.3Å; Q389-I456 PolarHBondContact O-N 3.29Å
390	F	97.6	Very high	96.2	Very high	10 Å²	10	42.4 Å²	42.4	4%	0.044	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	144.8	-179	-59.4	-76.3	0	0	0	112.4	L369 L383 L384 D387 I456 I458 V539	L369-F390 HydrophobicContact CD2-CD1 4.02Å; L369-F390 HydrophobicContact CD2-CE1 3.58Å; L383-F390 HydrophobicContact CB-CD2 4.01Å; L383-F390 HydrophobicContact CB-CE2 4.4Å; L383-F390 HydrophobicContact CB-CG 4.17Å; L383-F390 HydrophobicContact CD2-CD2 4.26Å; L383-F390 HydrophobicContact CD2-CE2 3.79Å; L383-F390 HydrophobicContact CD2-CZ 4.07Å; L384-F390 HydrophobicContact CD2-CB 4.07Å; D387-F390 HydrophobicContact CB-CD2 3.82Å; D387-F390 HydrophobicContact CB-CE2 4.01Å; D387-F390 PolarHBondContact O-N 3.48Å; D387-F390 WeakPolarHBondContact OD2-CE2 3.42Å; F390-I456 WeakPolarHBondContact CA-O 3.24Å; F390-I456 HydrophobicContact CD1-CB 3.81Å; F390-I456 HydrophobicContact CD1-CD1 4.38Å; F390-I456 HydrophobicContact CD1-CG2 3.72Å; F390-I456 HydrophobicContact CE1-CB 4.06Å; F390-I456 HydrophobicContact CE1-CD1 3.79Å; F390-I456 HydrophobicContact CE1-CG2 3.84Å; F390-I456 HydrophobicContact CZ-CD1 4.32Å; F390-I458 HydrophobicContact CB-CD1 3.9Å; F390-I458 HydrophobicContact CB-CG1 4.33Å; F390-I458 HydrophobicContact CD1-CD1 3.83Å; F390-I458 HydrophobicContact CD1-CG1 3.99Å; F390-I458 HydrophobicContact CG-CD1 4.07Å; F390-V539 HydrophobicContact CE1-CG1 4.04Å; F390-V539 HydrophobicContact CZ-CG1 4.04Å
391	T	97.1	Very high	96.2	Very high	26 Å²	26	47 Å²	47	16%	0.16	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	168.6	174	-153.8	0	0	0	0	111.2	I450 R455 I456 C457 I458	T391-I450 HydrophobicContact CG2-CB 4.41Å; T391-I450 HydrophobicContact CG2-CD1 4.09Å; T391-I450 HydrophobicContact CG2-CG1 4.27Å; T391-I450 HydrophobicContact CG2-CG2 3.29Å; T391-R455 HydrophobicContact CG2-CB 4.33Å; T391-R455 PolarHBondContact OG1-NH1 2.83Å; T391-R455 VanDerWaalsContact OG1-NH1 3.1Å; T391-I456 PolarHBondContact N-O 2.78Å; T391-C457 CarbonylContact O-C 3.58Å; T391-C457 WeakPolarHBondContact O-CA 3.33Å; T391-I458 PolarHBondContact O-N 3.41Å
392	T	95.6	Very high	96.3	Very high	16 Å²	16	50.7 Å²	50.7	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.1	174.7	54.1	0	0	0	0	110.1	L317 L384	L317-T392 HydrophobicContact CD1-CG2 4.2Å; L317-T392 HydrophobicContact CD2-CG2 4.48Å; L317-T392 HydrophobicContact CG-CG2 4.47Å; L384-T392 HydrophobicContact CD1-CG2 3.7Å; L384-T392 HydrophobicContact CD2-CG2 4.16Å
393	C	94.7	Very high	96.3	Very high	10 Å²	10	55 Å²	55	7%	0.068	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-70.8	155.1	168.3	57.3	0	0	0	0	112.3	V447 I450	C393-V447 HydrophobicContact CB-CG2 4.37Å; C393-I450 HydrophobicContact CB-CD1 3.88Å
394	I	95.3	Very high	96.3	Very high	42 Å²	42	61.1 Å²	61.1	22%	0.215	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-88.2	126.2	171	-60.4	167.5	0	0	0	108.6	G408 Y412	I394-G408 WeakPolarHBondContact CD1-O 3.5Å; I394-Y412 HydrophobicContact CB-CD2 4.09Å; I394-Y412 HydrophobicContact CB-CE2 3.85Å; I394-Y412 HydrophobicContact CG2-CD2 3.84Å; I394-Y412 HydrophobicContact CG2-CE2 4.02Å
395	L	97.1	Very high	96.3	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.099	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-76	149.8	-177.3	-58.4	-179.5	0	0	0	111.5	F320 Y411 Y412 T442	F320-L395 HydrophobicContact CD2-CD1 3.97Å; F320-L395 HydrophobicContact CE2-CD1 3.64Å; L395-Y411 HydrophobicContact CB-CD1 3.93Å; L395-Y411 HydrophobicContact CB-CE1 4.06Å; L395-Y411 HydrophobicContact CD1-CE1 4.48Å; L395-Y411 CarbonylContact O-C 3.54Å; L395-Y411 VanDerWaalsContact O-CA 3.27Å; L395-Y411 WeakPolarHBondContact O-CA 3.47Å; L395-Y411 WeakPolarHBondContact O-CB 3.43Å; L395-Y412 PolarHBondContact O-N 3.48Å; L395-T442 HydrophobicContact CD2-CG2 4.3Å; L395-T442 WeakPolarHBondContact CD2-OG1 3.42Å
396	H	97.6	Very high	96.3	Very high	25 Å²	25	60.5 Å²	60.5	12%	0.116	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	148.7	171.1	-64.8	36.4	0	0	0	109.5	Y412 I414 M420 Y429 Y440 G441 S443 S446	H396-Y412 CarbonylContact C-O 3.58Å; H396-Y412 VanDerWaalsContact CA-O 3.29Å; H396-Y412 WeakPolarHBondContact CA-O 3.44Å; H396-Y412 AromaticContact CE1-CD2 3.36Å; H396-Y412 WeakPolarHBondContact CE1-CD2 3.33Å; H396-Y412 AromaticContact CE1-CG 3.8Å; H396-Y412 AromaticContact ND1-CD2 3.57Å; H396-I414 HydrophobicContact CB-CG1 4.4Å; H396-M420 HydrophobicContact CB-CE 4.46Å; H396-Y429 HydrophobicContact CB-CE1 3.72Å; H396-Y429 AromaticContact CD2-CE1 3.76Å; H396-Y429 PolarHBondContact CD2-OH 2.92Å; H396-Y429 AromaticContact CG-CE1 3.73Å; H396-Y440 CarbonylContact O-C 3.58Å; H396-Y440 VanDerWaalsContact O-CA 3.27Å; H396-Y440 WeakPolarHBondContact O-CA 3.34Å; H396-G441 PolarHBondContact N-O 3.3Å; H396-G441 PolarHBondContact O-N 3.22Å; H396-S443 VanDerWaalsContact CE1-CB 3.41Å; H396-S443 WeakPolarHBondContact CE1-CB 3.27Å; H396-S446 PolarHBondContact CE1-OG 2.91Å
397	T	98.3	Very high	96.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.3	173.7	-172.5	0	0	0	0	113.1	R399 Y411 Y412 F413 I414 Y439 Y440	T397-R399 HydrophobicContact CG2-CB 4.19Å; T397-R399 PolarHBondContact OG1-N 3.03Å; T397-R399 VanDerWaalsContact OG1-N 3.13Å; T397-Y411 HydrophobicContact CG2-CD1 3.96Å; T397-Y411 HydrophobicContact CG2-CG 3.81Å; T397-Y412 PolarHBondContact N-O 3.46Å; T397-F413 HydrophobicContact CG2-CD1 3.57Å; T397-F413 HydrophobicContact CG2-CE1 3.78Å; T397-I414 PolarHBondContact O-N 3.36Å; T397-Y439 WeakPolarHBondContact CA-O 3.21Å; T397-Y439 WeakPolarHBondContact CB-O 3.48Å; T397-Y439 PolarHBondContact OG1-O 2.95Å; T397-Y440 HydrophobicContact CG2-CE1 4.3Å; T397-Y440 WeakPolarHBondContact OG1-CD1 3.41Å; T397-Y440 VanDerWaalsContact OG1-CE1 3.27Å; T397-Y440 WeakPolarHBondContact OG1-CE1 3.19Å
398	T	98.3	Very high	96.7	Very high	12 Å²	12	58 Å²	58	7%	0.074	31%	0.314	C	S	.	.			trans	-95.9	9.9	170.3	52.3	0	0	0	0	112.8	I414 K417 M420 H438 Y439	T398-I414 HydrophobicContact CG2-CB 4.09Å; T398-I414 HydrophobicContact CG2-CG2 4.37Å; T398-K417 HydrophobicContact CG2-CG 4.41Å; T398-M420 HydrophobicContact CG2-CB 3.52Å; T398-M420 HydrophobicContact CG2-CG 4.17Å; T398-M420 HydrophobicContact CG2-SD 3.66Å; T398-H438 PolarHBondContact O-ND1 3Å; T398-Y439 HydrophobicContact CG2-CD2 4.44Å; T398-Y439 PolarHBondContact N-O 3.01Å; T398-Y439 PolarHBondContact OG1-N 3.33Å
399	R	97.8	Very high	96.7	Very high	18 Å²	18	55.1 Å²	55.1	7%	0.068	29%	0.291	C	S	.	.	S	Bend	trans	-72.9	135.6	167.9	-176.8	-177.7	51.4	81.7	-13.3	109.4	T397 Q401 E405 F413 H438 Y440	T397-R399 HydrophobicContact CG2-CB 4.19Å; T397-R399 PolarHBondContact OG1-N 3.03Å; T397-R399 VanDerWaalsContact OG1-N 3.13Å; R399-Q401 PolarHBondContact O-N 3.02Å; R399-E405 IonicContact CZ-OE1 3.53Å; R399-E405 IonicContact CZ-OE2 2.85Å; R399-E405 IonicContact NH1-OE1 2.63Å; R399-E405 PolarHBondContact NH1-OE1 3.35Å; R399-E405 IonicContact NH1-OE2 2.68Å; R399-E405 PolarHBondContact NH1-OE2 2.82Å; R399-E405 IonicContact NH2-OE1 3.75Å; R399-E405 PolarHBondContact NH2-OE1 3.36Å; R399-E405 IonicContact NH2-OE2 3.74Å; R399-E405 PolarHBondContact NH2-OE2 3.47Å; R399-F413 VanDerWaalsContact O-CD1 3.29Å; R399-F413 WeakPolarHBondContact O-CD1 3.4Å; R399-H438 WeakPolarHBondContact CA-ND1 3.5Å; R399-H438 HydrophobicContact CB-CB 3.94Å; R399-Y440 VanDerWaalsContact CD-OH 3.28Å; R399-Y440 WeakPolarHBondContact CD-OH 3.36Å; R399-Y440 PolarHBondContact NE-OH 3.16Å
400	P	97.2	Very high	96.7	Very high	91 Å²	91	53.3 Å²	53.3	59%	0.591	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-53.3	137.3	169.7	-27.8	35.4	0	0	0	112.6	R402 H438	P400-R402 PolarHBondContact O-N 2.76Å; P400-H438 VanDerWaalsContact CD-CE1 3.45Å; P400-H438 WeakPolarHBondContact CD-CE1 3.33Å
401	Q	97.3	Very high	96.7	Very high	96 Å²	96	53.7 Å²	53.7	45%	0.449	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-61.3	129.1	173.2	-179.5	177.8	-16.4	0	0	109.9	R399 E405 F413	R399-Q401 PolarHBondContact O-N 3.02Å; Q401-E405 HydrophobicContact CG-CB 4.15Å; Q401-E405 PolarHBondContact NE2-O 2.93Å; Q401-F413 HydrophobicContact CB-CB 4.47Å; Q401-F413 HydrophobicContact CB-CD1 3.96Å; Q401-F413 HydrophobicContact CB-CD2 3.71Å; Q401-F413 HydrophobicContact CB-CE1 4.05Å; Q401-F413 HydrophobicContact CB-CE2 3.83Å; Q401-F413 HydrophobicContact CB-CG 3.79Å; Q401-F413 HydrophobicContact CB-CZ 3.98Å; Q401-F413 HydrophobicContact CG-CD2 3.78Å; Q401-F413 HydrophobicContact CG-CE1 4.47Å; Q401-F413 HydrophobicContact CG-CE2 3.53Å; Q401-F413 HydrophobicContact CG-CG 4.37Å; Q401-F413 HydrophobicContact CG-CZ 3.9Å
402	R	97.1	Very high	96.8	Very high	135 Å²	135	56.8 Å²	56.8	51%	0.509	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-78.6	156.8	172.5	-63.9	169.1	176	142.7	-12.9	110.4	P400 N404 E405	P400-R402 PolarHBondContact O-N 2.76Å; R402-N404 VanDerWaalsContact CB-OD1 3.28Å; R402-N404 WeakPolarHBondContact CB-OD1 3.32Å; R402-N404 PolarHBondContact O-N 2.88Å; R402-E405 HydrophobicContact CB-CB 4.49Å; R402-E405 HydrophobicContact CB-CG 4.02Å; R402-E405 WeakPolarHBondContact CB-OE2 3.46Å; R402-E405 PolarHBondContact N-OE2 3.18Å; R402-E405 IonicContact NH1-OE1 3.38Å; R402-E405 PolarHBondContact NH1-OE1 2.97Å; R402-E405 PolarHBondContact O-N 3.45Å
403	S	96.9	Very high	96.9	Very high	135 Å²	135	57.3 Å²	57.3	94%	0.944	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.9	-178.9	51.6	0	0	0	0	115
404	N	96.3	Very high	97	Very high	129 Å²	129	58.1 Å²	58.1	69%	0.69	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-1	177	68.8	-50.1	0	0	0	114.3	R402	R402-N404 VanDerWaalsContact CB-OD1 3.28Å; R402-N404 WeakPolarHBondContact CB-OD1 3.32Å; R402-N404 PolarHBondContact O-N 2.88Å
405	E	97.2	Very high	97.1	Very high	19 Å²	19	62 Å²	62	9%	0.089	33%	0.327	C	S	.	.			trans	-101.4	157.9	179.1	-66.4	170.6	158.3	0	0	110.6	R399 Q401 R402 D410 F413	R399-E405 IonicContact CZ-OE1 3.53Å; R399-E405 IonicContact CZ-OE2 2.85Å; R399-E405 IonicContact NH1-OE1 2.63Å; R399-E405 PolarHBondContact NH1-OE1 3.35Å; R399-E405 IonicContact NH1-OE2 2.68Å; R399-E405 PolarHBondContact NH1-OE2 2.82Å; R399-E405 IonicContact NH2-OE1 3.75Å; R399-E405 PolarHBondContact NH2-OE1 3.36Å; R399-E405 IonicContact NH2-OE2 3.74Å; R399-E405 PolarHBondContact NH2-OE2 3.47Å; Q401-E405 HydrophobicContact CG-CB 4.15Å; Q401-E405 PolarHBondContact NE2-O 2.93Å; R402-E405 HydrophobicContact CB-CB 4.49Å; R402-E405 HydrophobicContact CB-CG 4.02Å; R402-E405 WeakPolarHBondContact CB-OE2 3.46Å; R402-E405 PolarHBondContact N-OE2 3.18Å; R402-E405 IonicContact NH1-OE1 3.38Å; R402-E405 PolarHBondContact NH1-OE1 2.97Å; R402-E405 PolarHBondContact O-N 3.45Å; E405-D410 HydrophobicContact CB-CB 4.3Å; E405-D410 HydrophobicContact CG-CB 4.49Å; E405-F413 HydrophobicContact CB-CE2 4.29Å; E405-F413 HydrophobicContact CB-CZ 3.91Å; E405-F413 WeakPolarHBondContact OE2-CZ 3.4Å
406	R	97.1	Very high	97	Very high	142 Å²	142	63.3 Å²	63.3	54%	0.536	34%	0.338	S	S	.	.			trans	-127.8	128.9	176.8	-66.5	-179.4	-64.7	161.9	-0.3	111.9	G408 V409 D410	R406-G408 PolarHBondContact O-N 2.79Å; R406-V409 HydrophobicContact CB-CB 4.12Å; R406-V409 HydrophobicContact CB-CG2 4.14Å; R406-V409 PolarHBondContact O-N 2.98Å; R406-V409 VanDerWaalsContact O-N 3.12Å; R406-D410 PolarHBondContact N-OD2 3.22Å; R406-D410 PolarHBondContact O-N 2.94Å
407	N	97.1	Very high	97	Very high	89 Å²	89	65 Å²	65	48%	0.476	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-57.8	134.8	172.5	-168.5	33.3	0	0	0	111.2	V409 Y411 Y412 F413	N407-V409 PolarHBondContact O-N 3.25Å; N407-Y411 CarbonylContact C-O 3.58Å; N407-Y411 WeakPolarHBondContact CA-O 3.2Å; N407-Y411 PolarHBondContact OD1-O 3.35Å; N407-Y412 WeakPolarHBondContact OD1-CA 3.45Å; N407-F413 HydrophobicContact CB-CD2 3.9Å; N407-F413 PolarHBondContact OD1-N 2.96Å
408	G	95.6	Very high	96.9	Very high	27 Å²	27	68.8 Å²	68.8	28%	0.278	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	15.2	-175.9	0	0	0	0	0	114.8	I394 R406 Y411	I394-G408 WeakPolarHBondContact CD1-O 3.5Å; R406-G408 PolarHBondContact O-N 2.79Å; G408-Y411 PolarHBondContact N-O 2.9Å
409	V	95.1	Very high	96.9	Very high	54 Å²	54	72.1 Å²	72.1	33%	0.327	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-54.2	170.3	-176.2	0	0	0	0	111	L312 R406 N407	L312-V409 HydrophobicContact CD1-CG1 4.06Å; R406-V409 HydrophobicContact CB-CB 4.12Å; R406-V409 HydrophobicContact CB-CG2 4.14Å; R406-V409 PolarHBondContact O-N 2.98Å; R406-V409 VanDerWaalsContact O-N 3.12Å; N407-V409 PolarHBondContact O-N 3.25Å
410	D	95.5	Very high	96.9	Very high	25 Å²	25	71.3 Å²	71.3	13%	0.134	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-49.3	179.7	-59	-77.9	0	0	0	110.3	L316 E405 R406	L316-D410 VanDerWaalsContact CD2-O 3.23Å; L316-D410 WeakPolarHBondContact CD2-O 3.37Å; E405-D410 HydrophobicContact CB-CB 4.3Å; E405-D410 HydrophobicContact CG-CB 4.49Å; R406-D410 PolarHBondContact N-OD2 3.22Å; R406-D410 PolarHBondContact O-N 2.94Å
411	Y	97.5	Very high	96.9	Very high	18 Å²	18	70.2 Å²	70.2	7%	0.071	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-145.7	163.4	170.2	-65.1	-91	0	0	0	110	L395 T397 N407 G408 F413 Y440	L395-Y411 HydrophobicContact CB-CD1 3.93Å; L395-Y411 HydrophobicContact CB-CE1 4.06Å; L395-Y411 HydrophobicContact CD1-CE1 4.48Å; L395-Y411 CarbonylContact O-C 3.54Å; L395-Y411 VanDerWaalsContact O-CA 3.27Å; L395-Y411 WeakPolarHBondContact O-CA 3.47Å; L395-Y411 WeakPolarHBondContact O-CB 3.43Å; T397-Y411 HydrophobicContact CG2-CD1 3.96Å; T397-Y411 HydrophobicContact CG2-CG 3.81Å; N407-Y411 CarbonylContact C-O 3.58Å; N407-Y411 WeakPolarHBondContact CA-O 3.2Å; N407-Y411 PolarHBondContact OD1-O 3.35Å; G408-Y411 PolarHBondContact N-O 2.9Å; Y411-F413 HydrophobicContact CD2-CE1 4.12Å; Y411-F413 AromaticContact CD2-CZ 3.97Å; Y411-F413 HydrophobicContact CD2-CZ 3.97Å; Y411-F413 HydrophobicContact CG-CE1 4.28Å; Y411-F413 HydrophobicContact CG-CZ 4.33Å; Y411-Y440 HydrophobicContact CD1-CD1 4.28Å; Y411-Y440 HydrophobicContact CD1-CE1 4.39Å; Y411-Y440 AromaticContact CE1-CD1 3.8Å; Y411-Y440 HydrophobicContact CE1-CD1 3.8Å; Y411-Y440 AromaticContact CE1-CE1 3.85Å; Y411-Y440 HydrophobicContact CE1-CE1 3.85Å
412	Y	97.8	Very high	96.9	Very high	90 Å²	90	69.2 Å²	69.2	35%	0.353	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	108.5	156.2	-71.6	-75.1	0	0	0	108.8	I394 L395 H396 T397 N407 I414	I394-Y412 HydrophobicContact CB-CD2 4.09Å; I394-Y412 HydrophobicContact CB-CE2 3.85Å; I394-Y412 HydrophobicContact CG2-CD2 3.84Å; I394-Y412 HydrophobicContact CG2-CE2 4.02Å; L395-Y412 PolarHBondContact O-N 3.48Å; H396-Y412 CarbonylContact C-O 3.58Å; H396-Y412 VanDerWaalsContact CA-O 3.29Å; H396-Y412 WeakPolarHBondContact CA-O 3.44Å; H396-Y412 AromaticContact CE1-CD2 3.36Å; H396-Y412 WeakPolarHBondContact CE1-CD2 3.33Å; H396-Y412 AromaticContact CE1-CG 3.8Å; H396-Y412 AromaticContact ND1-CD2 3.57Å; T397-Y412 PolarHBondContact N-O 3.46Å; N407-Y412 WeakPolarHBondContact OD1-CA 3.45Å; Y412-I414 PolarHBondContact O-N 2.81Å
413	F	98.1	Very high	96.9	Very high	27 Å²	27	64.1 Å²	64.1	12%	0.118	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	109	-175.5	-62.8	-75.8	0	0	0	110.5	T397 R399 Q401 E405 N407 Y411	T397-F413 HydrophobicContact CG2-CD1 3.57Å; T397-F413 HydrophobicContact CG2-CE1 3.78Å; R399-F413 VanDerWaalsContact O-CD1 3.29Å; R399-F413 WeakPolarHBondContact O-CD1 3.4Å; Q401-F413 HydrophobicContact CB-CB 4.47Å; Q401-F413 HydrophobicContact CB-CD1 3.96Å; Q401-F413 HydrophobicContact CB-CD2 3.71Å; Q401-F413 HydrophobicContact CB-CE1 4.05Å; Q401-F413 HydrophobicContact CB-CE2 3.83Å; Q401-F413 HydrophobicContact CB-CG 3.79Å; Q401-F413 HydrophobicContact CB-CZ 3.98Å; Q401-F413 HydrophobicContact CG-CD2 3.78Å; Q401-F413 HydrophobicContact CG-CE1 4.47Å; Q401-F413 HydrophobicContact CG-CE2 3.53Å; Q401-F413 HydrophobicContact CG-CG 4.37Å; Q401-F413 HydrophobicContact CG-CZ 3.9Å; E405-F413 HydrophobicContact CB-CE2 4.29Å; E405-F413 HydrophobicContact CB-CZ 3.91Å; E405-F413 WeakPolarHBondContact OE2-CZ 3.4Å; N407-F413 HydrophobicContact CB-CD2 3.9Å; N407-F413 PolarHBondContact OD1-N 2.96Å; Y411-F413 HydrophobicContact CD2-CE1 4.12Å; Y411-F413 AromaticContact CD2-CZ 3.97Å; Y411-F413 HydrophobicContact CD2-CZ 3.97Å; Y411-F413 HydrophobicContact CG-CE1 4.28Å; Y411-F413 HydrophobicContact CG-CZ 4.33Å
414	I	97.7	Very high	96.9	Very high	28 Å²	28	59.2 Å²	59.2	14%	0.144	31%	0.313	C	S	.	.			trans	-82.8	125.6	179.6	-54.9	-57.4	0	0	0	109.5	H396 T397 T398 Y412 S416 I419 M420	H396-I414 HydrophobicContact CB-CG1 4.4Å; T397-I414 PolarHBondContact O-N 3.36Å; T398-I414 HydrophobicContact CG2-CB 4.09Å; T398-I414 HydrophobicContact CG2-CG2 4.37Å; Y412-I414 PolarHBondContact O-N 2.81Å; I414-S416 VanDerWaalsContact C-N 3.29Å; I414-S416 PolarHBondContact O-N 3.49Å; I414-S416 VanDerWaalsContact O-N 3.16Å; I414-I419 HydrophobicContact CG2-CB 3.89Å; I414-I419 HydrophobicContact CG2-CG2 3.74Å; I414-M420 HydrophobicContact CG1-SD 4.42Å; I414-M420 HydrophobicContact CG2-CB 4.14Å
415	P	96.4	Very high	96.9	Very high	123 Å²	123	59.7 Å²	59.7	80%	0.799	31%	0.309	S	S	*	.	S	Bend	trans	-62.7	-23.3	-171	-27.5	35.7	0	0	0	116.6	I419	P415-I419 HydrophobicContact CB-CD1 4.47Å
416	S	95.1	Very high	96.9	Very high	47 Å²	47	63.9 Å²	63.9	33%	0.329	33%	0.328	S	S	.	.			trans	-148.6	155	177.5	86.6	0	0	0	0	112	I414 S418 I419	I414-S416 VanDerWaalsContact C-N 3.29Å; I414-S416 PolarHBondContact O-N 3.49Å; I414-S416 VanDerWaalsContact O-N 3.16Å; S416-S418 VanDerWaalsContact C-N 3.34Å; S416-I419 PolarHBondContact O-N 3.11Å; S416-I419 WeakPolarHBondContact OG-CG1 3.35Å; S416-I419 PolarHBondContact OG-N 3.31Å
417	K	97	Very high	96.7	Very high	59 Å²	59	57.6 Å²	57.6	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-62.2	-41.6	174.6	-59.4	-170.3	-163.2	175.3	0	112.3	T398 I419 M420 E421 D437 Y439	T398-K417 HydrophobicContact CG2-CG 4.41Å; K417-I419 VanDerWaalsContact C-N 3.25Å; K417-I419 PolarHBondContact O-N 2.91Å; K417-M420 CarbonylContact O-C 3.55Å; K417-M420 PolarHBondContact O-N 3.27Å; K417-E421 WeakPolarHBondContact CB-OE1 3.2Å; K417-E421 WeakPolarHBondContact O-CB 3.49Å; K417-E421 VanDerWaalsContact O-CG 3.29Å; K417-E421 WeakPolarHBondContact O-CG 3.48Å; K417-E421 PolarHBondContact O-N 2.93Å; K417-D437 WeakPolarHBondContact CE-O 3.23Å; K417-D437 PolarHBondContact NZ-O 3.38Å; K417-D437 IonicContact NZ-OD1 3.58Å; K417-D437 PolarHBondContact NZ-OD1 2.94Å; K417-D437 IonicContact NZ-OD2 2.71Å; K417-D437 PolarHBondContact NZ-OD2 3.06Å; K417-Y439 HydrophobicContact CB-CD2 4.36Å; K417-Y439 HydrophobicContact CB-CE2 4.2Å; K417-Y439 HydrophobicContact CD-CD2 4.47Å; K417-Y439 HydrophobicContact CD-CE2 4.19Å; K417-Y439 HydrophobicContact CG-CD2 4.39Å; K417-Y439 HydrophobicContact CG-CE2 4.44Å
418	S	97.3	Very high	96.7	Very high	81 Å²	81	57.3 Å²	57.3	57%	0.566	30%	0.302	S	S	*	.	H	α-helix	trans	-57.6	-34.2	-179.8	170.3	0	0	0	0	113.4	S416 E422	S416-S418 VanDerWaalsContact C-N 3.34Å; S418-E422 WeakPolarHBondContact O-CB 3.28Å; S418-E422 PolarHBondContact O-N 3.21Å
419	I	97.3	Very high	96.7	Very high	82 Å²	82	56.7 Å²	56.7	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-65.9	-49.8	172.7	-66.1	164.4	0	0	0	110.1	I414 P415 S416 K417 E421 E422 D423	I414-I419 HydrophobicContact CG2-CB 3.89Å; I414-I419 HydrophobicContact CG2-CG2 3.74Å; P415-I419 HydrophobicContact CB-CD1 4.47Å; S416-I419 PolarHBondContact O-N 3.11Å; S416-I419 WeakPolarHBondContact OG-CG1 3.35Å; S416-I419 PolarHBondContact OG-N 3.31Å; K417-I419 VanDerWaalsContact C-N 3.25Å; K417-I419 PolarHBondContact O-N 2.91Å; I419-E421 PolarHBondContact O-N 3.3Å; I419-E422 PolarHBondContact O-N 3.31Å; I419-D423 PolarHBondContact O-N 3.3Å
420	M	97.9	Very high	96.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-36.7	-179.4	-168.3	164.6	176.8	0	0	112.4	H396 T398 I414 K417 E422 D423 I424 Y429 Y439	H396-M420 HydrophobicContact CB-CE 4.46Å; T398-M420 HydrophobicContact CG2-CB 3.52Å; T398-M420 HydrophobicContact CG2-CG 4.17Å; T398-M420 HydrophobicContact CG2-SD 3.66Å; I414-M420 HydrophobicContact CG1-SD 4.42Å; I414-M420 HydrophobicContact CG2-CB 4.14Å; K417-M420 CarbonylContact O-C 3.55Å; K417-M420 PolarHBondContact O-N 3.27Å; M420-E422 VanDerWaalsContact C-N 3.27Å; M420-E422 PolarHBondContact O-N 2.97Å; M420-D423 WeakPolarHBondContact O-CB 3.35Å; M420-D423 PolarHBondContact O-N 2.93Å; M420-I424 HydrophobicContact CG-CD1 4Å; M420-I424 HydrophobicContact CG-CG1 4.39Å; M420-I424 WeakPolarHBondContact O-CB 3.36Å; M420-I424 WeakPolarHBondContact O-CD1 3.48Å; M420-I424 WeakPolarHBondContact O-CG1 3.45Å; M420-I424 PolarHBondContact O-N 2.99Å; M420-Y429 HydrophobicContact CE-CD1 4.43Å; M420-Y429 HydrophobicContact CE-CD2 4.4Å; M420-Y429 HydrophobicContact CE-CE1 4.03Å; M420-Y429 HydrophobicContact CE-CE2 3.95Å; M420-Y429 HydrophobicContact CG-CE2 3.85Å; M420-Y439 VanDerWaalsContact SD-CB 3.59Å
421	E	97.8	Very high	96.8	Very high	69 Å²	69	55 Å²	55	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-36.1	173.8	-73.1	159.6	-166.4	0	0	111.9	K417 I419 K425 Y439	K417-E421 WeakPolarHBondContact CB-OE1 3.2Å; K417-E421 WeakPolarHBondContact O-CB 3.49Å; K417-E421 VanDerWaalsContact O-CG 3.29Å; K417-E421 WeakPolarHBondContact O-CG 3.48Å; K417-E421 PolarHBondContact O-N 2.93Å; I419-E421 PolarHBondContact O-N 3.3Å; E421-K425 WeakPolarHBondContact O-CE 3.43Å; E421-K425 WeakPolarHBondContact O-CG 3.29Å; E421-K425 PolarHBondContact O-N 3.46Å; E421-K425 VanDerWaalsContact O-N 3.13Å; E421-Y439 HydrophobicContact CG-CE2 3.77Å; E421-Y439 WeakPolarHBondContact OE1-CE2 3.2Å
422	E	97.8	Very high	96.8	Very high	75 Å²	75	54.6 Å²	54.6	35%	0.35	28%	0.279	S	S	.	.	H	α-helix	trans	-74.5	-41.7	174.4	-172.3	52.4	-141.6	0	0	112	S418 I419 M420 I424 K425 Q426	S418-E422 WeakPolarHBondContact O-CB 3.28Å; S418-E422 PolarHBondContact O-N 3.21Å; I419-E422 PolarHBondContact O-N 3.31Å; M420-E422 VanDerWaalsContact C-N 3.27Å; M420-E422 PolarHBondContact O-N 2.97Å; E422-I424 PolarHBondContact O-N 3.45Å; E422-K425 PolarHBondContact O-N 3.06Å; E422-K425 WeakPolarHBondContact OE2-CE 3.22Å; E422-K425 IonicContact OE2-NZ 2.7Å; E422-K425 PolarHBondContact OE2-NZ 2.92Å; E422-Q426 WeakPolarHBondContact O-CB 3.44Å; E422-Q426 VanDerWaalsContact O-CG 3.29Å; E422-Q426 WeakPolarHBondContact O-CG 3.5Å; E422-Q426 PolarHBondContact O-N 2.95Å; E422-Q426 PolarHBondContact OE1-NE2 3.11Å
423	D	97.6	Very high	96.6	Very high	28 Å²	28	52.7 Å²	52.7	15%	0.15	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-34.9	170.4	-72.1	-25.6	0	0	0	112.7	I419 M420 Q426 G427 K428 Y429	I419-D423 PolarHBondContact O-N 3.3Å; M420-D423 WeakPolarHBondContact O-CB 3.35Å; M420-D423 PolarHBondContact O-N 2.93Å; D423-Q426 CarbonylContact O-C 3.58Å; D423-Q426 PolarHBondContact O-N 3.03Å; D423-G427 PolarHBondContact O-N 3Å; D423-K428 HydrophobicContact CB-CB 4.35Å; D423-K428 HydrophobicContact CB-CD 3.92Å; D423-K428 HydrophobicContact CB-CG 4.5Å; D423-K428 WeakPolarHBondContact O-CB 3.42Å; D423-K428 PolarHBondContact O-N 3.27Å; D423-K428 WeakPolarHBondContact OD1-CD 3.23Å; D423-K428 WeakPolarHBondContact OD1-CE 3.49Å; D423-K428 IonicContact OD1-NZ 3.47Å; D423-K428 PolarHBondContact OD1-NZ 2.9Å; D423-Y429 HydrophobicContact CB-CD2 4.42Å; D423-Y429 HydrophobicContact CB-CE2 3.52Å
424	I	96.4	Very high	96.5	Very high	31 Å²	31	56.2 Å²	56.2	16%	0.159	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-47.1	176.1	-70.6	162.7	0	0	0	110.9	V335 M420 E422 Q426 G427 Y429 V432 Y439	V335-I424 HydrophobicContact CG2-CG2 3.92Å; M420-I424 HydrophobicContact CG-CD1 4Å; M420-I424 HydrophobicContact CG-CG1 4.39Å; M420-I424 WeakPolarHBondContact O-CB 3.36Å; M420-I424 WeakPolarHBondContact O-CD1 3.48Å; M420-I424 WeakPolarHBondContact O-CG1 3.45Å; M420-I424 PolarHBondContact O-N 2.99Å; E422-I424 PolarHBondContact O-N 3.45Å; I424-Q426 PolarHBondContact O-N 3.37Å; I424-G427 PolarHBondContact O-N 3.36Å; I424-Y429 HydrophobicContact CG1-CD2 3.57Å; I424-Y429 HydrophobicContact CG1-CE2 3.92Å; I424-V432 HydrophobicContact CD1-CG1 3.75Å; I424-V432 HydrophobicContact CD1-CG2 4.05Å; I424-V432 HydrophobicContact CG1-CG1 4.44Å; I424-V432 HydrophobicContact CG1-CG2 3.81Å; I424-V432 HydrophobicContact CG2-CG2 4.44Å; I424-Y439 HydrophobicContact CD1-CD1 4.42Å
425	K	96.3	Very high	96.3	Very high	139 Å²	139	59.6 Å²	59.6	60%	0.604	30%	0.301	S	S	*	.	H	α-helix	trans	-57.2	-40.4	173.3	-71	173.4	-128	157.5	0	111.5	E421 E422 G427	E421-K425 WeakPolarHBondContact O-CE 3.43Å; E421-K425 WeakPolarHBondContact O-CG 3.29Å; E421-K425 PolarHBondContact O-N 3.46Å; E421-K425 VanDerWaalsContact O-N 3.13Å; E422-K425 PolarHBondContact O-N 3.06Å; E422-K425 WeakPolarHBondContact OE2-CE 3.22Å; E422-K425 IonicContact OE2-NZ 2.7Å; E422-K425 PolarHBondContact OE2-NZ 2.92Å; K425-G427 PolarHBondContact O-N 2.83Å
426	Q	95.9	Very high	96.2	Very high	107 Å²	107	59.4 Å²	59.4	50%	0.5	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-0.4	177.5	-66.5	174.7	18.7	0	0	113.9	E422 D423 I424 K428	E422-Q426 WeakPolarHBondContact O-CB 3.44Å; E422-Q426 VanDerWaalsContact O-CG 3.29Å; E422-Q426 WeakPolarHBondContact O-CG 3.5Å; E422-Q426 PolarHBondContact O-N 2.95Å; E422-Q426 PolarHBondContact OE1-NE2 3.11Å; D423-Q426 CarbonylContact O-C 3.58Å; D423-Q426 PolarHBondContact O-N 3.03Å; I424-Q426 PolarHBondContact O-N 3.37Å; Q426-K428 HydrophobicContact CB-CG 4.33Å
427	G	93.6	Very high	96.2	Very high	10 Å²	10	61.1 Å²	61.1	10%	0.103	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	23.5	174.3	0	0	0	0	0	114.8	D423 I424 K425 Y429 Y468	D423-G427 PolarHBondContact O-N 3Å; I424-G427 PolarHBondContact O-N 3.36Å; K425-G427 PolarHBondContact O-N 2.83Å; G427-Y429 PolarHBondContact O-N 3.13Å; G427-Y468 PolarHBondContact O-OH 3.29Å; G427-Y468 VanDerWaalsContact O-OH 3.07Å
428	K	96.5	Very high	96.2	Very high	83 Å²	83	60.6 Å²	60.6	36%	0.361	29%	0.293	S	S	.	.			trans	-74.1	-8.9	-176.3	-61.3	-179.3	-166.8	161.4	0	114.2	D423 Q426 S443 L444	D423-K428 HydrophobicContact CB-CB 4.35Å; D423-K428 HydrophobicContact CB-CD 3.92Å; D423-K428 HydrophobicContact CB-CG 4.5Å; D423-K428 WeakPolarHBondContact O-CB 3.42Å; D423-K428 PolarHBondContact O-N 3.27Å; D423-K428 WeakPolarHBondContact OD1-CD 3.23Å; D423-K428 WeakPolarHBondContact OD1-CE 3.49Å; D423-K428 IonicContact OD1-NZ 3.47Å; D423-K428 PolarHBondContact OD1-NZ 2.9Å; Q426-K428 HydrophobicContact CB-CG 4.33Å; K428-S443 WeakPolarHBondContact O-CA 3.4Å; K428-L444 PolarHBondContact O-N 3.42Å
429	Y	97.1	Very high	96.2	Very high	15 Å²	15	58 Å²	58	6%	0.059	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.3	-178.2	-58	-73.9	0	0	0	111.3	H396 M420 D423 I424 G427 V432 T442	H396-Y429 HydrophobicContact CB-CE1 3.72Å; H396-Y429 AromaticContact CD2-CE1 3.76Å; H396-Y429 PolarHBondContact CD2-OH 2.92Å; H396-Y429 AromaticContact CG-CE1 3.73Å; M420-Y429 HydrophobicContact CE-CD1 4.43Å; M420-Y429 HydrophobicContact CE-CD2 4.4Å; M420-Y429 HydrophobicContact CE-CE1 4.03Å; M420-Y429 HydrophobicContact CE-CE2 3.95Å; M420-Y429 HydrophobicContact CG-CE2 3.85Å; D423-Y429 HydrophobicContact CB-CD2 4.42Å; D423-Y429 HydrophobicContact CB-CE2 3.52Å; I424-Y429 HydrophobicContact CG1-CD2 3.57Å; I424-Y429 HydrophobicContact CG1-CE2 3.92Å; G427-Y429 PolarHBondContact O-N 3.13Å; Y429-V432 HydrophobicContact CD2-CG2 4.35Å; Y429-V432 HydrophobicContact CG-CG2 4.24Å; Y429-T442 CarbonylContact C-O 3.53Å; Y429-T442 VanDerWaalsContact CA-O 3.29Å; Y429-T442 WeakPolarHBondContact CA-O 3.5Å
430	I	96.4	Very high	96.2	Very high	13 Å²	13	54.9 Å²	54.9	7%	0.067	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-24.4	173.7	69.5	172.1	0	0	0	112.5	T442 L444 V447 L459 A465 Y468 L469	I430-T442 HydrophobicContact CD1-CG2 3.74Å; I430-T442 HydrophobicContact CG1-CG2 3.67Å; I430-T442 PolarHBondContact N-O 2.74Å; I430-L444 HydrophobicContact CG2-CB 3.84Å; I430-L444 HydrophobicContact CG2-CD1 3.73Å; I430-L444 HydrophobicContact CG2-CG 4.32Å; I430-V447 HydrophobicContact CD1-CG2 4.29Å; I430-L459 HydrophobicContact CD1-CD1 3.78Å; I430-A465 HydrophobicContact CB-CB 4.35Å; I430-A465 HydrophobicContact CD1-CB 4.42Å; I430-A465 HydrophobicContact CG1-CB 4.32Å; I430-A465 WeakPolarHBondContact O-CB 3.36Å; I430-Y468 HydrophobicContact CB-CD1 4.04Å; I430-Y468 HydrophobicContact CB-CE1 4.48Å; I430-Y468 HydrophobicContact CG2-CD1 3.88Å; I430-Y468 HydrophobicContact CG2-CE1 4Å; I430-L469 HydrophobicContact CD1-CD1 3.96Å; I430-L469 HydrophobicContact CD1-CD2 4.39Å; I430-L469 HydrophobicContact CD1-CG 4.28Å; I430-L469 HydrophobicContact CG2-CD2 4.16Å; I430-L469 HydrophobicContact CG2-CG 4.45Å
431	E	96.5	Very high	96.2	Very high	30 Å²	30	55 Å²	55	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	146.5	172.1	-176.1	172.5	105.9	0	0	109.3	N433 G441 T442 V461 G462 A465	E431-N433 PolarHBondContact OE1-ND2 3.47Å; E431-G441 WeakPolarHBondContact O-CA 3.38Å; E431-T442 PolarHBondContact O-N 2.65Å; E431-V461 HydrophobicContact CB-CB 4.43Å; E431-V461 HydrophobicContact CB-CG1 4.04Å; E431-V461 WeakPolarHBondContact OE2-CA 3.29Å; E431-V461 WeakPolarHBondContact OE2-CB 3.29Å; E431-G462 PolarHBondContact OE2-N 2.92Å; E431-A465 HydrophobicContact CB-CB 4.38Å
432	V	96	Very high	96.1	Very high	9 Å²	9	52.1 Å²	52.1	6%	0.055	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.7	173.1	-172.1	0	0	0	0	109	V335 I424 Y429 Y439 Y440	V335-V432 HydrophobicContact CG2-CB 4.15Å; V335-V432 HydrophobicContact CG2-CG2 3.82Å; I424-V432 HydrophobicContact CD1-CG1 3.75Å; I424-V432 HydrophobicContact CD1-CG2 4.05Å; I424-V432 HydrophobicContact CG1-CG1 4.44Å; I424-V432 HydrophobicContact CG1-CG2 3.81Å; I424-V432 HydrophobicContact CG2-CG2 4.44Å; Y429-V432 HydrophobicContact CD2-CG2 4.35Å; Y429-V432 HydrophobicContact CG-CG2 4.24Å; V432-Y439 HydrophobicContact CG1-CD1 3.95Å; V432-Y440 CarbonylContact C-O 3.58Å; V432-Y440 WeakPolarHBondContact CA-O 3.44Å
433	N	94.6	Very high	96.1	Very high	50 Å²	50	49 Å²	49	27%	0.267	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.1	172.2	-69	-70	0	0	0	109.8	F320 E431 Y439 Y440	F320-N433 HydrophobicContact CD1-CB 4.35Å; F320-N433 HydrophobicContact CE1-CB 4.13Å; E431-N433 PolarHBondContact OE1-ND2 3.47Å; N433-Y439 CarbonylContact O-C 3.57Å; N433-Y439 WeakPolarHBondContact O-CA 3.39Å; N433-Y440 PolarHBondContact N-O 2.82Å; N433-Y440 PolarHBondContact O-N 3.13Å
434	R	95.6	Very high	96.1	Very high	102 Å²	102	48.4 Å²	48.4	39%	0.385	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.1	173	-172.1	-179.6	179.5	-165.9	2.8	109.3	D437 H438 Y439	R434-D437 IonicContact CZ-OD1 3.53Å; R434-D437 IonicContact NE-OD1 2.82Å; R434-D437 IonicContact NH2-OD1 3.51Å; R434-D437 PolarHBondContact NH2-OD1 3.4Å; R434-H438 CarbonylContact C-O 3.59Å; R434-H438 WeakPolarHBondContact CA-O 3.49Å; R434-Y439 HydrophobicContact CB-CD1 4.32Å; R434-Y439 HydrophobicContact CB-CE1 4.46Å; R434-Y439 HydrophobicContact CG-CD1 4.45Å; R434-Y439 HydrophobicContact CG-CE1 4.42Å
435	F	93.7	Very high	96.1	Very high	99 Å²	99	51.7 Å²	51.7	43%	0.434	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	130	180	177.8	-97.9	0	0	0	110.4	D437 H438 Y440	F435-D437 PolarHBondContact O-N 3.39Å; F435-H438 PolarHBondContact N-O 2.91Å; F435-H438 PolarHBondContact O-N 2.83Å; F435-Y440 HydrophobicContact CB-CD2 4.21Å; F435-Y440 HydrophobicContact CB-CE2 4Å; F435-Y440 HydrophobicContact CD1-CE2 4.37Å
436	Q	94.1	Very high	96.1	Very high	119 Å²	119	46.1 Å²	46.1	56%	0.556	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.7	49.9	-174.3	-69.6	178.1	-24.4	0	0	112	H438	Q436-H438 PolarHBondContact O-CD2 2.86Å; Q436-H438 PolarHBondContact O-N 2.83Å
437	D	94.8	Very high	96.2	Very high	83 Å²	83	41 Å²	41	44%	0.444	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	0.3	-179	-168.4	35.6	0	0	0	116.5	K417 R434 F435	K417-D437 WeakPolarHBondContact CE-O 3.23Å; K417-D437 PolarHBondContact NZ-O 3.38Å; K417-D437 IonicContact NZ-OD1 3.58Å; K417-D437 PolarHBondContact NZ-OD1 2.94Å; K417-D437 IonicContact NZ-OD2 2.71Å; K417-D437 PolarHBondContact NZ-OD2 3.06Å; R434-D437 IonicContact CZ-OD1 3.53Å; R434-D437 IonicContact NE-OD1 2.82Å; R434-D437 IonicContact NH2-OD1 3.51Å; R434-D437 PolarHBondContact NH2-OD1 3.4Å; F435-D437 PolarHBondContact O-N 3.39Å
438	H	97	Very high	96.3	Very high	47 Å²	47	43.4 Å²	43.4	22%	0.218	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.8	172.9	-59.8	-71.1	0	0	0	111.9	T398 R399 P400 R434 F435 Q436 Y440	T398-H438 PolarHBondContact O-ND1 3Å; R399-H438 WeakPolarHBondContact CA-ND1 3.5Å; R399-H438 HydrophobicContact CB-CB 3.94Å; P400-H438 VanDerWaalsContact CD-CE1 3.45Å; P400-H438 WeakPolarHBondContact CD-CE1 3.33Å; R434-H438 CarbonylContact C-O 3.59Å; R434-H438 WeakPolarHBondContact CA-O 3.49Å; F435-H438 PolarHBondContact N-O 2.91Å; F435-H438 PolarHBondContact O-N 2.83Å; Q436-H438 PolarHBondContact O-CD2 2.86Å; Q436-H438 PolarHBondContact O-N 2.83Å; H438-Y440 HydrophobicContact CB-CE2 4.18Å
439	Y	97.7	Very high	96.3	Very high	27 Å²	27	42.7 Å²	42.7	11%	0.106	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	148.4	169.3	-62.3	-72.1	0	0	0	111.8	T397 T398 K417 M420 E421 I424 V432 N433 R434	T397-Y439 WeakPolarHBondContact CA-O 3.21Å; T397-Y439 WeakPolarHBondContact CB-O 3.48Å; T397-Y439 PolarHBondContact OG1-O 2.95Å; T398-Y439 HydrophobicContact CG2-CD2 4.44Å; T398-Y439 PolarHBondContact N-O 3.01Å; T398-Y439 PolarHBondContact OG1-N 3.33Å; K417-Y439 HydrophobicContact CB-CD2 4.36Å; K417-Y439 HydrophobicContact CB-CE2 4.2Å; K417-Y439 HydrophobicContact CD-CD2 4.47Å; K417-Y439 HydrophobicContact CD-CE2 4.19Å; K417-Y439 HydrophobicContact CG-CD2 4.39Å; K417-Y439 HydrophobicContact CG-CE2 4.44Å; M420-Y439 VanDerWaalsContact SD-CB 3.59Å; E421-Y439 HydrophobicContact CG-CE2 3.77Å; E421-Y439 WeakPolarHBondContact OE1-CE2 3.2Å; I424-Y439 HydrophobicContact CD1-CD1 4.42Å; V432-Y439 HydrophobicContact CG1-CD1 3.95Å; N433-Y439 CarbonylContact O-C 3.57Å; N433-Y439 WeakPolarHBondContact O-CA 3.39Å; R434-Y439 HydrophobicContact CB-CD1 4.32Å; R434-Y439 HydrophobicContact CB-CE1 4.46Å; R434-Y439 HydrophobicContact CG-CD1 4.45Å; R434-Y439 HydrophobicContact CG-CE1 4.42Å
440	Y	97.5	Very high	96.3	Very high	17 Å²	17	42.9 Å²	42.9	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	132.6	170.3	-68.9	-98.6	0	0	0	108	F320 H396 T397 R399 Y411 V432 N433 F435 H438	F320-Y440 HydrophobicContact CE1-CG 4.3Å; F320-Y440 HydrophobicContact CE2-CD1 4.44Å; F320-Y440 AromaticContact CZ-CD1 3.75Å; F320-Y440 HydrophobicContact CZ-CD1 3.75Å; F320-Y440 HydrophobicContact CZ-CD2 4.33Å; F320-Y440 HydrophobicContact CZ-CE1 4.42Å; F320-Y440 AromaticContact CZ-CG 3.68Å; F320-Y440 HydrophobicContact CZ-CG 3.68Å; H396-Y440 CarbonylContact O-C 3.58Å; H396-Y440 VanDerWaalsContact O-CA 3.27Å; H396-Y440 WeakPolarHBondContact O-CA 3.34Å; T397-Y440 HydrophobicContact CG2-CE1 4.3Å; T397-Y440 WeakPolarHBondContact OG1-CD1 3.41Å; T397-Y440 VanDerWaalsContact OG1-CE1 3.27Å; T397-Y440 WeakPolarHBondContact OG1-CE1 3.19Å; R399-Y440 VanDerWaalsContact CD-OH 3.28Å; R399-Y440 WeakPolarHBondContact CD-OH 3.36Å; R399-Y440 PolarHBondContact NE-OH 3.16Å; Y411-Y440 HydrophobicContact CD1-CD1 4.28Å; Y411-Y440 HydrophobicContact CD1-CE1 4.39Å; Y411-Y440 AromaticContact CE1-CD1 3.8Å; Y411-Y440 HydrophobicContact CE1-CD1 3.8Å; Y411-Y440 AromaticContact CE1-CE1 3.85Å; Y411-Y440 HydrophobicContact CE1-CE1 3.85Å; V432-Y440 CarbonylContact C-O 3.58Å; V432-Y440 WeakPolarHBondContact CA-O 3.44Å; N433-Y440 PolarHBondContact N-O 2.82Å; N433-Y440 PolarHBondContact O-N 3.13Å; F435-Y440 HydrophobicContact CB-CD2 4.21Å; F435-Y440 HydrophobicContact CB-CE2 4Å; F435-Y440 HydrophobicContact CD1-CE2 4.37Å; H438-Y440 HydrophobicContact CB-CE2 4.18Å
441	G	96.9	Very high	96.3	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.5	-169.3	0	0	0	0	0	114.4	H396 E431	H396-G441 PolarHBondContact N-O 3.3Å; H396-G441 PolarHBondContact O-N 3.22Å; E431-G441 WeakPolarHBondContact O-CA 3.38Å
442	T	97.4	Very high	96.3	Very high	9 Å²	9	46.4 Å²	46.4	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	101.2	176.9	-55.2	0	0	0	0	108.6	L395 Y429 I430 E431 L444 V447 L459 V461	L395-T442 HydrophobicContact CD2-CG2 4.3Å; L395-T442 WeakPolarHBondContact CD2-OG1 3.42Å; Y429-T442 CarbonylContact C-O 3.53Å; Y429-T442 VanDerWaalsContact CA-O 3.29Å; Y429-T442 WeakPolarHBondContact CA-O 3.5Å; I430-T442 HydrophobicContact CD1-CG2 3.74Å; I430-T442 HydrophobicContact CG1-CG2 3.67Å; I430-T442 PolarHBondContact N-O 2.74Å; E431-T442 PolarHBondContact O-N 2.65Å; T442-L444 PolarHBondContact O-N 3.48Å; T442-V447 HydrophobicContact CG2-CG2 4.18Å; T442-L459 HydrophobicContact CG2-CD2 4.28Å; T442-V461 HydrophobicContact CG2-CG1 4.38Å
443	S	97.2	Very high	96.3	Very high	10 Å²	10	49 Å²	49	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127	-174.3	170	0	0	0	0	111.9	H396 K428 E445 S446 V447	H396-S443 VanDerWaalsContact CE1-CB 3.41Å; H396-S443 WeakPolarHBondContact CE1-CB 3.27Å; K428-S443 WeakPolarHBondContact O-CA 3.4Å; S443-E445 PolarHBondContact O-N 2.97Å; S443-E445 PolarHBondContact OG-N 2.88Å; S443-S446 WeakPolarHBondContact CB-OG 3.29Å; S443-S446 PolarHBondContact O-N 3.07Å; S443-S446 PolarHBondContact OG-N 3.09Å; S443-V447 WeakPolarHBondContact O-CG2 3.32Å; S443-V447 PolarHBondContact O-N 2.97Å
444	L	97.3	Very high	96.3	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-57.9	-36.1	176	175.2	58.9	0	0	0	111.3	K428 I430 T442 V447 R448 Y468 L469 V472 L474	K428-L444 PolarHBondContact O-N 3.42Å; I430-L444 HydrophobicContact CG2-CB 3.84Å; I430-L444 HydrophobicContact CG2-CD1 3.73Å; I430-L444 HydrophobicContact CG2-CG 4.32Å; T442-L444 PolarHBondContact O-N 3.48Å; L444-V447 PolarHBondContact O-N 2.94Å; L444-R448 WeakPolarHBondContact O-CB 3.49Å; L444-R448 PolarHBondContact O-N 2.09Å; L444-Y468 HydrophobicContact CD2-CE1 4.24Å; L444-L469 HydrophobicContact CD1-CD2 4.32Å; L444-V472 HydrophobicContact CD1-CG2 3.87Å; L444-V472 HydrophobicContact CD2-CG1 4.42Å; L444-V472 HydrophobicContact CD2-CG2 4.38Å; L444-L474 HydrophobicContact CD1-CD1 3.69Å
445	E	96.5	Very high	96.4	Very high	100 Å²	100	48.8 Å²	48.8	47%	0.467	26%	0.256	S	S	.	.	H	α-helix	trans	-75.9	-35.9	179.8	-164.6	55.3	-146.4	0	0	112.2	S443 V447 R448 S449	S443-E445 PolarHBondContact O-N 2.97Å; S443-E445 PolarHBondContact OG-N 2.88Å; E445-V447 VanDerWaalsContact C-N 3.28Å; E445-V447 PolarHBondContact O-N 3.31Å; E445-R448 PolarHBondContact O-N 3.17Å; E445-R448 IonicContact OE2-CZ 3.48Å; E445-R448 IonicContact OE2-NH1 3.46Å; E445-R448 PolarHBondContact OE2-NH1 3Å; E445-S449 WeakPolarHBondContact O-CB 3.29Å; E445-S449 PolarHBondContact O-N 3.48Å
446	S	96.3	Very high	96.6	Very high	22 Å²	22	44.4 Å²	44.4	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-34.3	171.9	-59.1	0	0	0	0	112.3	H396 S443 I450	H396-S446 PolarHBondContact CE1-OG 2.91Å; S443-S446 WeakPolarHBondContact CB-OG 3.29Å; S443-S446 PolarHBondContact O-N 3.07Å; S443-S446 PolarHBondContact OG-N 3.09Å; S446-I450 WeakPolarHBondContact O-CD1 3.33Å; S446-I450 WeakPolarHBondContact O-CG1 3.47Å
447	V	97.5	Very high	96.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.1	-53.4	171.3	177.2	0	0	0	0	110.3	C393 I430 T442 S443 L444 E445 S449 I450 L451 C457 L459	C393-V447 HydrophobicContact CB-CG2 4.37Å; I430-V447 HydrophobicContact CD1-CG2 4.29Å; T442-V447 HydrophobicContact CG2-CG2 4.18Å; S443-V447 WeakPolarHBondContact O-CG2 3.32Å; S443-V447 PolarHBondContact O-N 2.97Å; L444-V447 PolarHBondContact O-N 2.94Å; E445-V447 VanDerWaalsContact C-N 3.28Å; E445-V447 PolarHBondContact O-N 3.31Å; V447-S449 VanDerWaalsContact C-N 3.33Å; V447-S449 PolarHBondContact O-N 3.21Å; V447-I450 WeakPolarHBondContact O-CB 3.43Å; V447-I450 PolarHBondContact O-N 3.03Å; V447-I450 VanDerWaalsContact O-N 3.07Å; V447-L451 HydrophobicContact CG1-CD1 3.92Å; V447-L451 HydrophobicContact CG1-CG 4.24Å; V447-L451 WeakPolarHBondContact O-CG 3.47Å; V447-L451 PolarHBondContact O-N 3.46Å; V447-L451 VanDerWaalsContact O-N 3.09Å; V447-C457 HydrophobicContact CG1-CB 4.31Å; V447-L459 HydrophobicContact CG1-CD1 4.47Å; V447-L459 HydrophobicContact CG2-CD2 3.75Å
448	R	96.5	Very high	96.9	Very high	61 Å²	61	34.9 Å²	34.9	23%	0.23	19%	0.19	C	C	.	.	H	α-helix	trans	-52.3	-47.5	-179.6	-179.6	176.2	-68.7	116.7	1.4	112.7	L444 E445 I450 L451 Q452	L444-R448 WeakPolarHBondContact O-CB 3.49Å; L444-R448 PolarHBondContact O-N 2.09Å; E445-R448 PolarHBondContact O-N 3.17Å; E445-R448 IonicContact OE2-CZ 3.48Å; E445-R448 IonicContact OE2-NH1 3.46Å; E445-R448 PolarHBondContact OE2-NH1 3Å; R448-I450 VanDerWaalsContact C-N 3.32Å; R448-I450 PolarHBondContact O-N 3.13Å; R448-L451 PolarHBondContact O-N 3.36Å; R448-Q452 HydrophobicContact CG-CG 4.37Å; R448-Q452 WeakPolarHBondContact O-CB 3.37Å; R448-Q452 VanDerWaalsContact O-CG 3.31Å; R448-Q452 WeakPolarHBondContact O-CG 3.5Å; R448-Q452 PolarHBondContact O-N 2.86Å
449	S	96	Very high	96.9	Very high	68 Å²	68	32.8 Å²	32.8	48%	0.476	18%	0.181	S	C	.	.	H	α-helix	trans	-60.5	-37.6	179.3	-178.4	0	0	0	0	113	E445 V447 S453	E445-S449 WeakPolarHBondContact O-CB 3.29Å; E445-S449 PolarHBondContact O-N 3.48Å; V447-S449 VanDerWaalsContact C-N 3.33Å; V447-S449 PolarHBondContact O-N 3.21Å; S449-S453 PolarHBondContact O-N 3.13Å; S449-S453 VanDerWaalsContact O-N 3.16Å
450	I	97.2	Very high	96.6	Very high	19 Å²	19	32.7 Å²	32.7	10%	0.097	18%	0.182	C	C	.	.	H	α-helix	trans	-67.2	-45.1	175.4	-73.3	167.5	0	0	0	111.3	T391 C393 S446 V447 R448 S453 R455 C457	T391-I450 HydrophobicContact CG2-CB 4.41Å; T391-I450 HydrophobicContact CG2-CD1 4.09Å; T391-I450 HydrophobicContact CG2-CG1 4.27Å; T391-I450 HydrophobicContact CG2-CG2 3.29Å; C393-I450 HydrophobicContact CB-CD1 3.88Å; S446-I450 WeakPolarHBondContact O-CD1 3.33Å; S446-I450 WeakPolarHBondContact O-CG1 3.47Å; V447-I450 WeakPolarHBondContact O-CB 3.43Å; V447-I450 PolarHBondContact O-N 3.03Å; V447-I450 VanDerWaalsContact O-N 3.07Å; R448-I450 VanDerWaalsContact C-N 3.32Å; R448-I450 PolarHBondContact O-N 3.13Å; I450-S453 WeakPolarHBondContact O-CA 3.4Å; I450-S453 WeakPolarHBondContact O-CB 3.25Å; I450-S453 PolarHBondContact O-N 3.11Å; I450-S453 VanDerWaalsContact O-N 3.08Å; I450-S453 PolarHBondContact O-OG 2.82Å; I450-R455 HydrophobicContact CG2-CB 4.22Å; I450-R455 PolarHBondContact O-N 2.88Å; I450-C457 HydrophobicContact CB-CB 4.33Å; I450-C457 HydrophobicContact CG2-CB 3.68Å
451	L	97.1	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-40.7	-179.3	-61.7	-178.7	0	0	0	111.8	M365 A366 R367 P368 V447 R448 S453 G454 C457 L474	M365-L451 HydrophobicContact CB-CB 4.37Å; M365-L451 WeakPolarHBondContact CB-O 3.35Å; A366-L451 HydrophobicContact CB-CD2 4.22Å; A366-L451 PolarHBondContact N-O 3.34Å; A366-L451 WeakPolarHBondContact O-CB 3.43Å; A366-L451 WeakPolarHBondContact O-CD2 3.35Å; R367-L451 VanDerWaalsContact C-CD2 3.47Å; R367-L451 WeakPolarHBondContact O-CD2 3.49Å; P368-L451 HydrophobicContact CG-CD1 3.95Å; V447-L451 HydrophobicContact CG1-CD1 3.92Å; V447-L451 HydrophobicContact CG1-CG 4.24Å; V447-L451 WeakPolarHBondContact O-CG 3.47Å; V447-L451 PolarHBondContact O-N 3.46Å; V447-L451 VanDerWaalsContact O-N 3.09Å; R448-L451 PolarHBondContact O-N 3.36Å; L451-S453 PolarHBondContact O-N 2.93Å; L451-G454 PolarHBondContact O-N 3.17Å; L451-C457 HydrophobicContact CD2-CB 3.79Å; L451-C457 HydrophobicContact CG-CB 4.47Å; L451-L474 HydrophobicContact CD1-CD1 4.41Å; L451-L474 HydrophobicContact CD1-CD2 4.27Å
452	Q	95.8	Very high	96.1	Very high	116 Å²	116	32.8 Å²	32.8	54%	0.542	19%	0.187	S	C	.	.	H	α-helix	trans	-63.5	-26.5	172.3	-72.9	171.3	-21.2	0	0	112.7	M365 R448 G454	M365-Q452 HydrophobicContact SD-CG 4.25Å; R448-Q452 HydrophobicContact CG-CG 4.37Å; R448-Q452 WeakPolarHBondContact O-CB 3.37Å; R448-Q452 VanDerWaalsContact O-CG 3.31Å; R448-Q452 WeakPolarHBondContact O-CG 3.5Å; R448-Q452 PolarHBondContact O-N 2.86Å; Q452-G454 PolarHBondContact O-N 3.47Å
453	S	95.8	Very high	95.8	Very high	65 Å²	65	33.2 Å²	33.2	46%	0.455	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	7.7	171.1	122.7	0	0	0	0	113.3	S449 I450 L451 R455	S449-S453 PolarHBondContact O-N 3.13Å; S449-S453 VanDerWaalsContact O-N 3.16Å; I450-S453 WeakPolarHBondContact O-CA 3.4Å; I450-S453 WeakPolarHBondContact O-CB 3.25Å; I450-S453 PolarHBondContact O-N 3.11Å; I450-S453 VanDerWaalsContact O-N 3.08Å; I450-S453 PolarHBondContact O-OG 2.82Å; L451-S453 PolarHBondContact O-N 2.93Å; S453-R455 PolarHBondContact O-N 2.94Å; S453-R455 PolarHBondContact OG-NE 3.47Å
454	G	95	Very high	95.5	Very high	56 Å²	56	37 Å²	37	58%	0.577	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	13.3	-178	0	0	0	0	0	114.5	L451 Q452	L451-G454 PolarHBondContact O-N 3.17Å; Q452-G454 PolarHBondContact O-N 3.47Å
455	R	97.1	Very high	95.4	Very high	90 Å²	90	36.5 Å²	36.5	34%	0.34	21%	0.207	S	C	.	.			trans	-107.9	140.7	-178.1	-68.7	-175	-60.6	139.2	8.6	111.6	A366 Q389 T391 I450 S453 C457	A366-R455 WeakPolarHBondContact CB-O 3.24Å; Q389-R455 CarbonylContact O-C 3.3Å; Q389-R455 WeakPolarHBondContact O-CA 3.19Å; Q389-R455 WeakPolarHBondContact O-CB 3.46Å; T391-R455 HydrophobicContact CG2-CB 4.33Å; T391-R455 PolarHBondContact OG1-NH1 2.83Å; T391-R455 VanDerWaalsContact OG1-NH1 3.1Å; I450-R455 HydrophobicContact CG2-CB 4.22Å; I450-R455 PolarHBondContact O-N 2.88Å; S453-R455 PolarHBondContact O-N 2.94Å; S453-R455 PolarHBondContact OG-NE 3.47Å; R455-C457 PolarHBondContact O-N 3.34Å
456	I	97.7	Very high	95.2	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114.9	178	-62.5	178.6	0	0	0	108.6	A366 L369 Q389 F390 T391 I458 V539	A366-I456 HydrophobicContact CB-CG1 4.37Å; L369-I456 HydrophobicContact CB-CG2 3.53Å; L369-I456 HydrophobicContact CD2-CG2 4.02Å; L369-I456 HydrophobicContact CG-CG2 4.45Å; Q389-I456 HydrophobicContact CG-CD1 4.3Å; Q389-I456 PolarHBondContact O-N 3.29Å; F390-I456 WeakPolarHBondContact CA-O 3.24Å; F390-I456 HydrophobicContact CD1-CB 3.81Å; F390-I456 HydrophobicContact CD1-CD1 4.38Å; F390-I456 HydrophobicContact CD1-CG2 3.72Å; F390-I456 HydrophobicContact CE1-CB 4.06Å; F390-I456 HydrophobicContact CE1-CD1 3.79Å; F390-I456 HydrophobicContact CE1-CG2 3.84Å; F390-I456 HydrophobicContact CZ-CD1 4.32Å; T391-I456 PolarHBondContact N-O 2.78Å; I456-I458 PolarHBondContact O-N 3.28Å; I456-V539 HydrophobicContact CD1-CG1 3.52Å
457	C	98.1	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.5	174.4	-160	0	0	0	0	109.5	P368 L369 T391 V447 I450 L451 R455	P368-C457 WeakPolarHBondContact CA-O 3.38Å; L369-C457 PolarHBondContact N-O 3.06Å; T391-C457 CarbonylContact O-C 3.58Å; T391-C457 WeakPolarHBondContact O-CA 3.33Å; V447-C457 HydrophobicContact CG1-CB 4.31Å; I450-C457 HydrophobicContact CB-CB 4.33Å; I450-C457 HydrophobicContact CG2-CB 3.68Å; L451-C457 HydrophobicContact CD2-CB 3.79Å; L451-C457 HydrophobicContact CG-CB 4.47Å; R455-C457 PolarHBondContact O-N 3.34Å
458	I	98.3	Very high	94.8	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.1	170.3	-58	-175.5	0	0	0	108.6	L369 F371 I380 L383 L384 F390 T391 I456	L369-I458 HydrophobicContact CB-CG1 4.42Å; L369-I458 HydrophobicContact CD2-CD1 4.47Å; L369-I458 HydrophobicContact CD2-CG1 4.19Å; L369-I458 HydrophobicContact CG-CG1 4.49Å; L369-I458 WeakPolarHBondContact O-CA 3.25Å; F371-I458 HydrophobicContact CD2-CG2 4.41Å; F371-I458 HydrophobicContact CE2-CG2 4.48Å; I380-I458 HydrophobicContact CD1-CG2 4.08Å; I380-I458 HydrophobicContact CG1-CG2 3.88Å; I380-I458 HydrophobicContact CG2-CD1 4.38Å; I380-I458 HydrophobicContact CG2-CG2 3.89Å; L383-I458 HydrophobicContact CB-CD1 4.1Å; L383-I458 HydrophobicContact CD1-CD1 4.11Å; L384-I458 HydrophobicContact CD2-CD1 4.12Å; L384-I458 HydrophobicContact CG-CD1 4.22Å; F390-I458 HydrophobicContact CB-CD1 3.9Å; F390-I458 HydrophobicContact CB-CG1 4.33Å; F390-I458 HydrophobicContact CD1-CD1 3.83Å; F390-I458 HydrophobicContact CD1-CG1 3.99Å; F390-I458 HydrophobicContact CG-CD1 4.07Å; T391-I458 PolarHBondContact O-N 3.41Å; I456-I458 PolarHBondContact O-N 3.28Å
459	L	97	Very high	94.8	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.5	-177.9	-53.2	173.3	0	0	0	110.3	P368 L369 I370 I430 T442 V447 V461 L469	P368-L459 HydrophobicContact CB-CD1 3.81Å; L369-L459 PolarHBondContact O-N 3.01Å; I370-L459 HydrophobicContact CG1-CB 4.34Å; I370-L459 HydrophobicContact CG1-CD1 4.42Å; I430-L459 HydrophobicContact CD1-CD1 3.78Å; T442-L459 HydrophobicContact CG2-CD2 4.28Å; V447-L459 HydrophobicContact CG1-CD1 4.47Å; V447-L459 HydrophobicContact CG2-CD2 3.75Å; L459-V461 HydrophobicContact CB-CG1 4.36Å; L459-V461 HydrophobicContact CB-CG2 3.84Å; L459-L469 HydrophobicContact CD1-CD1 3.71Å
460	D	91.1	Very high	94.6	Very high	26 Å²	26	29.6 Å²	29.6	14%	0.139	17%	0.165	C	C	.	.			trans	-105.8	90.8	166.4	-160.6	27.6	0	0	0	107.8	L317 K376	L317-D460 HydrophobicContact CD2-CB 3.87Å; K376-D460 WeakPolarHBondContact CE-OD1 3.31Å; K376-D460 IonicContact NZ-OD1 3.26Å; K376-D460 PolarHBondContact NZ-OD1 3.47Å; K376-D460 IonicContact NZ-OD2 3.96Å; K376-D460 PolarHBondContact NZ-OD2 3.44Å
461	V	93.4	Very high	94.2	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.012	19%	0.187	C	C	.	.			trans	-146.9	157.7	-172.3	-66.3	0	0	0	0	110.2	I370 F372 E431 T442 L459 A465	I370-V461 HydrophobicContact CD1-CG2 4.2Å; I370-V461 HydrophobicContact CG2-CG2 4.25Å; F372-V461 VanDerWaalsContact CE1-O 3.3Å; F372-V461 WeakPolarHBondContact CE1-O 3.33Å; F372-V461 VanDerWaalsContact CZ-O 3.25Å; F372-V461 WeakPolarHBondContact CZ-O 3.2Å; E431-V461 HydrophobicContact CB-CB 4.43Å; E431-V461 HydrophobicContact CB-CG1 4.04Å; E431-V461 WeakPolarHBondContact OE2-CA 3.29Å; E431-V461 WeakPolarHBondContact OE2-CB 3.29Å; T442-V461 HydrophobicContact CG2-CG1 4.38Å; L459-V461 HydrophobicContact CB-CG1 4.36Å; L459-V461 HydrophobicContact CB-CG2 3.84Å; V461-A465 HydrophobicContact CB-CB 3.8Å; V461-A465 HydrophobicContact CG1-CB 4.49Å; V461-A465 HydrophobicContact CG2-CB 3.71Å
462	G	90.8	Very high	93.9	Very high	18 Å²	18	36.7 Å²	36.7	19%	0.186	20%	0.201	C	C	.	.			trans	-70.2	169.1	176.1	0	0	0	0	0	114.4	E431 D464 A465	E431-G462 PolarHBondContact OE2-N 2.92Å; G462-D464 PolarHBondContact O-N 2.93Å; G462-A465 WeakPolarHBondContact O-CB 3.22Å; G462-A465 PolarHBondContact O-N 3.23Å; G462-A465 VanDerWaalsContact O-N 3.15Å
463	L	90	Very high	93.7	Very high	19 Å²	19	31.8 Å²	31.8	10%	0.099	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-22.7	-175.4	-72.5	149.3	0	0	0	113.6	F372 A466 K467 I511 N515 L519	F372-L463 HydrophobicContact CD2-CD2 3.88Å; F372-L463 HydrophobicContact CD2-CG 4.41Å; F372-L463 HydrophobicContact CE1-CD2 4.5Å; F372-L463 HydrophobicContact CE1-CG 4.04Å; F372-L463 HydrophobicContact CE2-CD2 3.35Å; F372-L463 HydrophobicContact CE2-CG 3.79Å; F372-L463 HydrophobicContact CZ-CD2 3.74Å; F372-L463 HydrophobicContact CZ-CG 3.6Å; L463-A466 WeakPolarHBondContact O-CB 3.46Å; L463-A466 PolarHBondContact O-N 3.48Å; L463-K467 WeakPolarHBondContact O-CG 3.44Å; L463-K467 PolarHBondContact O-N 2.78Å; L463-K467 VanDerWaalsContact O-N 3.13Å; L463-I511 HydrophobicContact CD1-CB 4.29Å; L463-I511 HydrophobicContact CD1-CG1 3.98Å; L463-I511 HydrophobicContact CD1-CG2 3.77Å; L463-N515 HydrophobicContact CD1-CB 3.97Å; L463-N515 HydrophobicContact CD2-CB 4.04Å; L463-N515 HydrophobicContact CG-CB 4.4Å; L463-L519 HydrophobicContact CD2-CD2 4.29Å
464	D	91.7	Very high	93.6	Very high	89 Å²	89	29 Å²	29	48%	0.476	16%	0.162	S	C	.	.	H	α-helix	trans	-72.4	-29.9	175.7	-60.6	-38.4	0	0	0	112.4	G462 A466 K467 Y468	G462-D464 PolarHBondContact O-N 2.93Å; D464-A466 VanDerWaalsContact C-N 3.31Å; D464-K467 PolarHBondContact O-N 3.23Å; D464-K467 WeakPolarHBondContact OD1-CE 3.34Å; D464-K467 IonicContact OD1-NZ 2.74Å; D464-K467 PolarHBondContact OD1-NZ 3.2Å; D464-Y468 WeakPolarHBondContact O-CB 3.48Å; D464-Y468 PolarHBondContact O-N 3.47Å
465	A	94.2	Very high	93.6	Very high	3 Å²	3	26.8 Å²	26.8	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-66.8	-34	169.8	0	0	0	0	0	111.5	I430 E431 V461 G462 L469	I430-A465 HydrophobicContact CB-CB 4.35Å; I430-A465 HydrophobicContact CD1-CB 4.42Å; I430-A465 HydrophobicContact CG1-CB 4.32Å; I430-A465 WeakPolarHBondContact O-CB 3.36Å; E431-A465 HydrophobicContact CB-CB 4.38Å; V461-A465 HydrophobicContact CB-CB 3.8Å; V461-A465 HydrophobicContact CG1-CB 4.49Å; V461-A465 HydrophobicContact CG2-CB 3.71Å; G462-A465 WeakPolarHBondContact O-CB 3.22Å; G462-A465 PolarHBondContact O-N 3.23Å; G462-A465 VanDerWaalsContact O-N 3.15Å; A465-L469 WeakPolarHBondContact O-CB 3.22Å; A465-L469 VanDerWaalsContact O-CG 3.22Å; A465-L469 WeakPolarHBondContact O-CG 3.3Å; A465-L469 PolarHBondContact O-N 3.22Å
466	A	92.6	Very high	93.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-66.6	-40.8	174.2	0	0	0	0	0	112.1	I370 L463 D464 L469 E470 P476	I370-A466 HydrophobicContact CD1-CB 3.69Å; L463-A466 WeakPolarHBondContact O-CB 3.46Å; L463-A466 PolarHBondContact O-N 3.48Å; D464-A466 VanDerWaalsContact C-N 3.31Å; A466-L469 PolarHBondContact O-N 3Å; A466-E470 PolarHBondContact O-N 3.47Å; A466-E470 VanDerWaalsContact O-N 3.16Å; A466-P476 HydrophobicContact CB-CG 4.25Å
467	K	92.4	Very high	93.6	Very high	46 Å²	46	22.3 Å²	22.3	20%	0.2	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-50.3	173.8	-63.5	165.3	-158.3	165.3	0	110.9	L463 D464 L469 E470 E471 N515 F518	L463-K467 WeakPolarHBondContact O-CG 3.44Å; L463-K467 PolarHBondContact O-N 2.78Å; L463-K467 VanDerWaalsContact O-N 3.13Å; D464-K467 PolarHBondContact O-N 3.23Å; D464-K467 WeakPolarHBondContact OD1-CE 3.34Å; D464-K467 IonicContact OD1-NZ 2.74Å; D464-K467 PolarHBondContact OD1-NZ 3.2Å; K467-L469 VanDerWaalsContact C-N 3.28Å; K467-L469 PolarHBondContact O-N 3.22Å; K467-E470 WeakPolarHBondContact O-CB 3.27Å; K467-E470 PolarHBondContact O-N 3.21Å; K467-E471 PolarHBondContact O-N 3.29Å; K467-N515 VanDerWaalsContact CE-OD1 3.23Å; K467-N515 WeakPolarHBondContact CE-OD1 3.32Å; K467-N515 PolarHBondContact NZ-OD1 3.43Å; K467-F518 HydrophobicContact CB-CE1 4.49Å; K467-F518 HydrophobicContact CD-CD2 4.32Å; K467-F518 HydrophobicContact CD-CE2 4.04Å; K467-F518 HydrophobicContact CD-CZ 4.28Å; K467-F518 HydrophobicContact CG-CD1 3.92Å; K467-F518 HydrophobicContact CG-CD2 3.94Å; K467-F518 HydrophobicContact CG-CE1 3.84Å; K467-F518 HydrophobicContact CG-CE2 3.86Å; K467-F518 HydrophobicContact CG-CG 3.97Å; K467-F518 HydrophobicContact CG-CZ 3.8Å
468	Y	93.5	Very high	93.5	Very high	39 Å²	39	22.3 Å²	22.3	15%	0.153	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-34.3	178.6	-177.8	-120.7	0	0	0	112.7	G427 I430 L444 D464 E471 V472	G427-Y468 PolarHBondContact O-OH 3.29Å; G427-Y468 VanDerWaalsContact O-OH 3.07Å; I430-Y468 HydrophobicContact CB-CD1 4.04Å; I430-Y468 HydrophobicContact CB-CE1 4.48Å; I430-Y468 HydrophobicContact CG2-CD1 3.88Å; I430-Y468 HydrophobicContact CG2-CE1 4Å; L444-Y468 HydrophobicContact CD2-CE1 4.24Å; D464-Y468 WeakPolarHBondContact O-CB 3.48Å; D464-Y468 PolarHBondContact O-N 3.47Å; Y468-E471 PolarHBondContact O-N 3.41Å; Y468-V472 HydrophobicContact CD2-CG1 4.24Å; Y468-V472 HydrophobicContact CE1-CG1 4.44Å; Y468-V472 HydrophobicContact CE2-CG1 3.7Å; Y468-V472 WeakPolarHBondContact O-CG2 3.4Å; Y468-V472 PolarHBondContact O-N 2.88Å; Y468-V472 VanDerWaalsContact O-N 3.1Å
469	L	94.8	Very high	93.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64	-39.1	171.9	-79	167.8	0	0	0	112.7	P368 I370 I430 L444 L459 A465 A466 K467 G473 L474 P476	P368-L469 HydrophobicContact CB-CD1 4.26Å; P368-L469 HydrophobicContact CG-CD1 4.09Å; P368-L469 HydrophobicContact CG-CD2 4.34Å; I370-L469 HydrophobicContact CD1-CD1 4.1Å; I430-L469 HydrophobicContact CD1-CD1 3.96Å; I430-L469 HydrophobicContact CD1-CD2 4.39Å; I430-L469 HydrophobicContact CD1-CG 4.28Å; I430-L469 HydrophobicContact CG2-CD2 4.16Å; I430-L469 HydrophobicContact CG2-CG 4.45Å; L444-L469 HydrophobicContact CD1-CD2 4.32Å; L459-L469 HydrophobicContact CD1-CD1 3.71Å; A465-L469 WeakPolarHBondContact O-CB 3.22Å; A465-L469 VanDerWaalsContact O-CG 3.22Å; A465-L469 WeakPolarHBondContact O-CG 3.3Å; A465-L469 PolarHBondContact O-N 3.22Å; A466-L469 PolarHBondContact O-N 3Å; K467-L469 VanDerWaalsContact C-N 3.28Å; K467-L469 PolarHBondContact O-N 3.22Å; L469-G473 PolarHBondContact O-N 3.15Å; L469-L474 HydrophobicContact CD2-CB 3.83Å; L469-L474 HydrophobicContact CD2-CD1 3.96Å; L469-L474 CarbonylContact O-C 3.55Å; L469-L474 WeakPolarHBondContact O-CA 3.43Å; L469-L474 PolarHBondContact O-N 3.36Å; L469-P476 HydrophobicContact CB-CG 4.38Å
470	E	92	Very high	93.5	Very high	21 Å²	21	22 Å²	22	10%	0.098	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-42.9	171.3	-69.4	-169.6	169.5	0	0	112.1	A466 K467 V472 G473 F475 P476 F518 L553 L556	A466-E470 PolarHBondContact O-N 3.47Å; A466-E470 VanDerWaalsContact O-N 3.16Å; K467-E470 WeakPolarHBondContact O-CB 3.27Å; K467-E470 PolarHBondContact O-N 3.21Å; E470-V472 VanDerWaalsContact C-N 3.3Å; E470-V472 PolarHBondContact O-N 3.35Å; E470-G473 PolarHBondContact O-N 2.85Å; E470-F475 HydrophobicContact CB-CD1 4.48Å; E470-F475 HydrophobicContact CG-CD1 4.31Å; E470-P476 HydrophobicContact CG-CG 4.47Å; E470-F518 WeakPolarHBondContact OE2-CD1 3.46Å; E470-L553 HydrophobicContact CB-CD1 4.14Å; E470-L556 WeakPolarHBondContact O-CD1 3.47Å
471	E	89.3	Confident	93.8	Very high	119 Å²	119	20.8 Å²	20.8	56%	0.556	11%	0.111	S	C	*	.	H	α-helix	trans	-58.6	-37.4	178.5	-70.4	171	-167.2	0	0	112.9	K467 Y468 G473	K467-E471 PolarHBondContact O-N 3.29Å; Y468-E471 PolarHBondContact O-N 3.41Å; E471-G473 VanDerWaalsContact C-N 3.34Å
472	V	90.6	Very high	94	Very high	48 Å²	48	22.8 Å²	22.8	29%	0.291	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	12.5	177.4	-53.6	0	0	0	0	114	L444 Y468 E470 L474	L444-V472 HydrophobicContact CD1-CG2 3.87Å; L444-V472 HydrophobicContact CD2-CG1 4.42Å; L444-V472 HydrophobicContact CD2-CG2 4.38Å; Y468-V472 HydrophobicContact CD2-CG1 4.24Å; Y468-V472 HydrophobicContact CE1-CG1 4.44Å; Y468-V472 HydrophobicContact CE2-CG1 3.7Å; Y468-V472 WeakPolarHBondContact O-CG2 3.4Å; Y468-V472 PolarHBondContact O-N 2.88Å; Y468-V472 VanDerWaalsContact O-N 3.1Å; E470-V472 VanDerWaalsContact C-N 3.3Å; E470-V472 PolarHBondContact O-N 3.35Å; V472-L474 HydrophobicContact CG2-CB 4.4Å; V472-L474 HydrophobicContact CG2-CD1 4.24Å; V472-L474 HydrophobicContact CG2-CG 4.15Å
473	G	91.7	Very high	94.2	Very high	14 Å²	14	22 Å²	22	14%	0.144	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	16.3	174.3	0	0	0	0	0	115.9	L469 E470 E471	L469-G473 PolarHBondContact O-N 3.15Å; E470-G473 PolarHBondContact O-N 2.85Å; E471-G473 VanDerWaalsContact C-N 3.34Å
474	L	94.2	Very high	94.5	Very high	7 Å²	7	27 Å²	27	4%	0.037	13%	0.133	C	C	.	.			trans	-105.7	57.4	179.9	-63.2	-176.2	0	0	0	111.7	M365 P368 L444 L451 L469 V472 P476	M365-L474 HydrophobicContact CE-CD2 3.44Å; M365-L474 VanDerWaalsContact CE-CD2 3.44Å; M365-L474 HydrophobicContact SD-CD2 3.68Å; P368-L474 WeakPolarHBondContact CD-O 3.25Å; P368-L474 HydrophobicContact CG-CB 4.49Å; P368-L474 VanDerWaalsContact CG-O 3.27Å; P368-L474 WeakPolarHBondContact CG-O 3.26Å; L444-L474 HydrophobicContact CD1-CD1 3.69Å; L451-L474 HydrophobicContact CD1-CD1 4.41Å; L451-L474 HydrophobicContact CD1-CD2 4.27Å; L469-L474 HydrophobicContact CD2-CB 3.83Å; L469-L474 HydrophobicContact CD2-CD1 3.96Å; L469-L474 CarbonylContact O-C 3.55Å; L469-L474 WeakPolarHBondContact O-CA 3.43Å; L469-L474 PolarHBondContact O-N 3.36Å; V472-L474 HydrophobicContact CG2-CB 4.4Å; V472-L474 HydrophobicContact CG2-CD1 4.24Å; V472-L474 HydrophobicContact CG2-CG 4.15Å; L474-P476 VanDerWaalsContact O-CD 3.26Å; L474-P476 WeakPolarHBondContact O-CD 3.41Å
475	F	94.9	Very high	94.7	Very high	9 Å²	9	25.2 Å²	25.2	4%	0.039	13%	0.126	C	C	.	.			trans	-48.1	104.6	-171.7	-50	-77.5	0	0	0	114	R367 E470 I547 V549 L553 L556 V559	R367-F475 PolarHBondContact NE-O 3.31Å; E470-F475 HydrophobicContact CB-CD1 4.48Å; E470-F475 HydrophobicContact CG-CD1 4.31Å; F475-I547 HydrophobicContact CB-CD1 4.06Å; F475-I547 HydrophobicContact CD2-CD1 3.73Å; F475-I547 HydrophobicContact CG-CD1 4.1Å; F475-V549 HydrophobicContact CD1-CB 4.45Å; F475-V549 HydrophobicContact CD1-CG1 3.87Å; F475-V549 HydrophobicContact CD2-CG1 3.86Å; F475-V549 HydrophobicContact CE1-CB 4.2Å; F475-V549 HydrophobicContact CE1-CG1 3.86Å; F475-V549 HydrophobicContact CE2-CG1 3.85Å; F475-V549 HydrophobicContact CG-CG1 3.87Å; F475-V549 HydrophobicContact CZ-CB 4.41Å; F475-V549 HydrophobicContact CZ-CG1 3.85Å; F475-L553 HydrophobicContact CE1-CB 4.12Å; F475-L553 HydrophobicContact CE1-CD1 3.91Å; F475-L556 HydrophobicContact CE1-CD1 4.33Å; F475-L556 HydrophobicContact CZ-CD1 4.12Å; F475-V559 HydrophobicContact CE2-CG2 3.9Å; F475-V559 HydrophobicContact CZ-CG2 3.88Å
476	P	97	Very high	94.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.135	C	C	.	.			trans	-71.4	157	-176.4	29.8	-33.8	0	0	0	112	R367 P368 I370 A466 L469 E470 L474	R367-P476 PolarHBondContact NH2-O 3.05Å; P368-P476 HydrophobicContact CB-CB 4.27Å; P368-P476 HydrophobicContact CG-CB 4.04Å; P368-P476 CarbonylContact O-C 3.53Å; P368-P476 WeakPolarHBondContact O-CA 3.27Å; I370-P476 HydrophobicContact CD1-CB 3.76Å; I370-P476 HydrophobicContact CD1-CG 4.26Å; I370-P476 HydrophobicContact CG1-CB 4.18Å; A466-P476 HydrophobicContact CB-CG 4.25Å; L469-P476 HydrophobicContact CB-CG 4.38Å; E470-P476 HydrophobicContact CG-CG 4.47Å; L474-P476 VanDerWaalsContact O-CD 3.26Å; L474-P476 WeakPolarHBondContact O-CD 3.41Å
477	I	97.6	Very high	95	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.1	158.4	-63.4	177.9	0	0	0	106.6	R367 P368 L369 I370 I479 Y538 V539 H542	R367-I477 HydrophobicContact CB-CD1 4.33Å; R367-I477 HydrophobicContact CB-CG1 4.11Å; P368-I477 PolarHBondContact O-N 3.38Å; L369-I477 WeakPolarHBondContact CA-O 3.41Å; L369-I477 HydrophobicContact CD1-CB 3.96Å; L369-I477 HydrophobicContact CD1-CG2 3.71Å; L369-I477 WeakPolarHBondContact CD1-O 3.37Å; I370-I477 PolarHBondContact N-O 3.47Å; I477-I479 HydrophobicContact CG2-CD1 4.01Å; I477-I479 HydrophobicContact CG2-CG1 4.02Å; I477-Y538 HydrophobicContact CG2-CD1 4.07Å; I477-Y538 HydrophobicContact CG2-CE1 3.95Å; I477-V539 HydrophobicContact CD1-CG1 4.37Å; I477-V539 HydrophobicContact CG2-CG2 4.4Å; I477-H542 HydrophobicContact CD1-CB 4.41Å
478	T	97.4	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.7	-175.8	-51	0	0	0	0	109.9	F372 F518 L519 S520 A521	F372-T478 HydrophobicContact CD2-CG2 3.91Å; F372-T478 HydrophobicContact CE2-CG2 3.69Å; T478-F518 WeakPolarHBondContact CB-O 3.44Å; T478-F518 PolarHBondContact OG1-O 3.44Å; T478-L519 HydrophobicContact CG2-CD2 3.86Å; T478-S520 PolarHBondContact N-OG 3.12Å; T478-S520 WeakPolarHBondContact O-CA 3.33Å; T478-S520 WeakPolarHBondContact O-CB 3.43Å; T478-S520 PolarHBondContact O-N 3.42Å; T478-A521 PolarHBondContact O-N 3.3Å
479	I	97.5	Very high	95.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.2	-174.3	-63.1	176.1	0	0	0	110.3	L369 I370 F371 F372 I477 L481 I523 V535 Y538 V539	L369-I479 HydrophobicContact CD1-CD1 4.1Å; I370-I479 PolarHBondContact O-N 2.89Å; F371-I479 WeakPolarHBondContact CA-O 3.48Å; F371-I479 HydrophobicContact CD1-CB 3.97Å; F371-I479 HydrophobicContact CD1-CG2 4.21Å; F371-I479 HydrophobicContact CE1-CB 4.15Å; F371-I479 HydrophobicContact CE1-CD1 3.94Å; F371-I479 HydrophobicContact CE1-CG2 4.34Å; F372-I479 PolarHBondContact N-O 3.4Å; I477-I479 HydrophobicContact CG2-CD1 4.01Å; I477-I479 HydrophobicContact CG2-CG1 4.02Å; I479-L481 HydrophobicContact CG2-CD2 3.85Å; I479-L481 HydrophobicContact CG2-CG 4.49Å; I479-I523 HydrophobicContact CD1-CD1 4.39Å; I479-I523 HydrophobicContact CG2-CB 4.46Å; I479-I523 HydrophobicContact CG2-CD1 3.67Å; I479-I523 HydrophobicContact CG2-CG1 3.94Å; I479-V535 HydrophobicContact CD1-CG1 4.46Å; I479-V535 HydrophobicContact CD1-CG2 4.41Å; I479-V535 HydrophobicContact CG2-CG2 4.47Å; I479-Y538 HydrophobicContact CD1-CD1 4.01Å; I479-Y538 HydrophobicContact CG1-CD1 4.34Å; I479-V539 HydrophobicContact CD1-CG2 4.33Å
480	L	97.5	Very high	95.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.4	167.8	-178.2	61.8	0	0	0	110.2	F372 I508 I511 E512 L519 A521 I522 I523	F372-L480 HydrophobicContact CB-CD1 3.66Å; L480-I508 HydrophobicContact CD1-CG2 4.16Å; L480-I508 HydrophobicContact CD2-CG2 4.11Å; L480-I508 HydrophobicContact CG-CG2 4.28Å; L480-I511 HydrophobicContact CD1-CG2 3.92Å; L480-I511 HydrophobicContact CD2-CG2 4.26Å; L480-E512 HydrophobicContact CD2-CB 3.88Å; L480-E512 HydrophobicContact CD2-CG 4.24Å; L480-L519 HydrophobicContact CB-CD1 3.93Å; L480-L519 HydrophobicContact CB-CD2 4.15Å; L480-L519 HydrophobicContact CD2-CD1 3.77Å; L480-L519 HydrophobicContact CG-CD1 4.5Å; L480-A521 PolarHBondContact N-O 2.89Å; L480-I522 HydrophobicContact CB-CG1 4.38Å; L480-I522 HydrophobicContact CD2-CG1 4.41Å; L480-I522 HydrophobicContact CD2-CG2 4.37Å; L480-I522 CarbonylContact O-C 3.57Å; L480-I522 WeakPolarHBondContact O-CA 3.21Å; L480-I523 PolarHBondContact O-N 3.08Å
481	L	97.5	Very high	95.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.5	177.5	-55.4	171.5	0	0	0	108.6	F371 F372 P374 K376 I379 I479 Y525 V531 V535	F371-L481 HydrophobicContact CD1-CD1 4.37Å; F372-L481 WeakPolarHBondContact O-CB 3.44Å; F372-L481 WeakPolarHBondContact O-CG 3.3Å; F372-L481 PolarHBondContact O-N 2.87Å; P374-L481 WeakPolarHBondContact CD-O 3.5Å; P374-L481 VanDerWaalsContact O-CD1 3.25Å; P374-L481 WeakPolarHBondContact O-CD1 3.34Å; K376-L481 HydrophobicContact CB-CD1 3.98Å; I379-L481 HydrophobicContact CD1-CD1 3.76Å; I379-L481 HydrophobicContact CD1-CD2 4Å; I479-L481 HydrophobicContact CG2-CD2 3.85Å; I479-L481 HydrophobicContact CG2-CG 4.49Å; L481-Y525 HydrophobicContact CB-CE1 3.98Å; L481-V531 HydrophobicContact CD2-CG2 3.78Å; L481-V535 HydrophobicContact CD2-CG2 4.2Å
482	K	96.5	Very high	95.7	Very high	43 Å²	43	33.6 Å²	33.6	19%	0.187	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	103	-172.1	-172	168.4	-171.7	173.1	0	112.1	I508 E512 I522 I523 T524	K482-I508 HydrophobicContact CB-CG2 4.29Å; K482-I508 HydrophobicContact CD-CG2 4.43Å; K482-I508 HydrophobicContact CG-CG2 4.02Å; K482-E512 WeakPolarHBondContact CD-OE2 3.32Å; K482-E512 WeakPolarHBondContact CE-OE2 3.43Å; K482-E512 IonicContact NZ-OE1 2.73Å; K482-E512 PolarHBondContact NZ-OE1 2.8Å; K482-E512 IonicContact NZ-OE2 3.62Å; K482-E512 PolarHBondContact NZ-OE2 3.14Å; K482-I522 HydrophobicContact CB-CG2 3.93Å; K482-I522 HydrophobicContact CD-CG2 3.81Å; K482-I523 PolarHBondContact N-O 3.23Å; K482-T524 HydrophobicContact CB-CG2 4.15Å; K482-T524 HydrophobicContact CD-CG2 4.47Å; K482-T524 HydrophobicContact CG-CG2 4.32Å; K482-T524 WeakPolarHBondContact O-CA 3.21Å
483	P	96.3	Very high	95.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.013	18%	0.179	C	C	.	.			trans	-60.8	151.8	169.3	-16.5	28.6	0	0	0	111.2	P374 S485 L489 M505 I508	P374-P483 HydrophobicContact CB-CG 4.41Å; P374-P483 HydrophobicContact CG-CG 3.9Å; P483-S485 VanDerWaalsContact C-N 3.29Å; P483-S485 PolarHBondContact O-N 3.13Å; P483-L489 HydrophobicContact CB-CB 4.02Å; P483-L489 HydrophobicContact CG-CB 4.1Å; P483-L489 HydrophobicContact CG-CD1 3.96Å; P483-L489 HydrophobicContact CG-CD2 4.48Å; P483-L489 HydrophobicContact CG-CG 4.39Å; P483-M505 HydrophobicContact CB-SD 3.94Å; P483-M505 HydrophobicContact CG-SD 3.93Å; P483-M505 WeakPolarHBondContact O-CE 3.29Å; P483-I508 HydrophobicContact CG-CD1 4.29Å
484	K	94.9	Very high	95.8	Very high	125 Å²	125	44.6 Å²	44.6	54%	0.543	21%	0.212	S	C	.	.	S	Bend	trans	-66.6	-28.4	-179.2	-60.3	-173.2	-176.4	-176.5	0	113.3	H488 E526	K484-H488 HydrophobicContact CB-CB 4.34Å; K484-H488 PolarHBondContact N-ND1 3.31Å; K484-E526 IonicContact NZ-OE1 2.63Å; K484-E526 PolarHBondContact NZ-OE1 3.35Å
485	S	95.9	Very high	95.8	Very high	50 Å²	50	56.2 Å²	56.2	35%	0.35	26%	0.256	S	S	.	.			trans	-166.3	170.9	-179.8	70.5	0	0	0	0	112.1	P483 I487 H488 L489	P483-S485 VanDerWaalsContact C-N 3.29Å; P483-S485 PolarHBondContact O-N 3.13Å; S485-I487 VanDerWaalsContact C-N 3.3Å; S485-I487 PolarHBondContact O-N 2.92Å; S485-I487 PolarHBondContact OG-N 2.93Å; S485-H488 PolarHBondContact O-N 2.88Å; S485-H488 WeakPolarHBondContact OG-CB 3.39Å; S485-H488 PolarHBondContact OG-N 2.84Å; S485-H488 VanDerWaalsContact OG-N 3.12Å; S485-L489 PolarHBondContact O-N 3.17Å
486	V	96.3	Very high	95.8	Very high	33 Å²	33	57.6 Å²	57.6	20%	0.2	26%	0.263	C	S	.	.	H	α-helix	trans	-56.1	-44.1	171.1	-179.1	0	0	0	0	111.5	H488 L489 R490 E498 A501 K502 M505	V486-H488 VanDerWaalsContact C-N 3.34Å; V486-H488 PolarHBondContact O-N 3.15Å; V486-L489 PolarHBondContact O-N 2.77Å; V486-R490 WeakPolarHBondContact O-CG 3.4Å; V486-R490 PolarHBondContact O-N 2.74Å; V486-E498 WeakPolarHBondContact CG1-OE1 3.42Å; V486-A501 HydrophobicContact CG1-CB 3.62Å; V486-K502 HydrophobicContact CG1-CG 3.93Å; V486-K502 HydrophobicContact CG2-CG 4.07Å; V486-M505 HydrophobicContact CG2-CB 4.24Å; V486-M505 HydrophobicContact CG2-CG 3.79Å
487	I	96.4	Very high	95.7	Very high	132 Å²	132	60.6 Å²	60.6	68%	0.677	28%	0.282	S	S	*	.	H	α-helix	trans	-62.8	-42.6	178.9	-60.3	172.3	0	0	0	110.4	S485 R490 S491	S485-I487 VanDerWaalsContact C-N 3.3Å; S485-I487 PolarHBondContact O-N 2.92Å; S485-I487 PolarHBondContact OG-N 2.93Å; I487-R490 PolarHBondContact O-N 2.9Å; I487-S491 PolarHBondContact O-N 2.94Å
488	H	95.9	Very high	95.6	Very high	28 Å²	28	63.4 Å²	63.4	13%	0.13	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-40.3	176.5	176.2	-115.8	0	0	0	112.5	K484 S485 V486 R490 S491 L492 Y525 E526	K484-H488 HydrophobicContact CB-CB 4.34Å; K484-H488 PolarHBondContact N-ND1 3.31Å; S485-H488 PolarHBondContact O-N 2.88Å; S485-H488 WeakPolarHBondContact OG-CB 3.39Å; S485-H488 PolarHBondContact OG-N 2.84Å; S485-H488 VanDerWaalsContact OG-N 3.12Å; V486-H488 VanDerWaalsContact C-N 3.34Å; V486-H488 PolarHBondContact O-N 3.15Å; H488-R490 VanDerWaalsContact C-N 3.27Å; H488-R490 PolarHBondContact O-N 3.49Å; H488-S491 PolarHBondContact O-N 2.91Å; H488-S491 PolarHBondContact O-OG 3.2Å; H488-L492 VanDerWaalsContact CE1-CD1 3.4Å; H488-L492 WeakPolarHBondContact CE1-CD1 3.44Å; H488-L492 VanDerWaalsContact O-CG 3.3Å; H488-L492 WeakPolarHBondContact O-CG 3.47Å; H488-L492 PolarHBondContact O-N 2.83Å; H488-L492 VanDerWaalsContact O-N 3.08Å; H488-Y525 AromaticContact CE1-CD2 3.46Å; H488-Y525 VanDerWaalsContact CE1-CD2 3.46Å; H488-Y525 WeakPolarHBondContact CE1-CD2 3.07Å; H488-Y525 AromaticContact CE1-CE2 3.72Å; H488-Y525 AromaticContact CE1-CG 3.98Å; H488-Y525 PolarHBondContact CE1-O 2.94Å; H488-E526 WeakPolarHBondContact NE2-CA 3.46Å; H488-E526 PolarHBondContact NE2-O 2.99Å
489	L	96.3	Very high	95.5	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-37.4	172.3	178.3	54.7	0	0	0	111.9	P374 P483 S485 V486 Q493 L496 A501 M505	P374-L489 HydrophobicContact CB-CD1 3.54Å; P374-L489 HydrophobicContact CG-CD1 3.69Å; P374-L489 HydrophobicContact CG-CD2 4.11Å; P483-L489 HydrophobicContact CB-CB 4.02Å; P483-L489 HydrophobicContact CG-CB 4.1Å; P483-L489 HydrophobicContact CG-CD1 3.96Å; P483-L489 HydrophobicContact CG-CD2 4.48Å; P483-L489 HydrophobicContact CG-CG 4.39Å; S485-L489 PolarHBondContact O-N 3.17Å; V486-L489 PolarHBondContact O-N 2.77Å; L489-Q493 HydrophobicContact CD1-CG 4.49Å; L489-Q493 PolarHBondContact O-N 2.79Å; L489-L496 HydrophobicContact CD1-CD2 4.33Å; L489-L496 HydrophobicContact CD2-CD2 3.94Å; L489-L496 HydrophobicContact CG-CD2 3.82Å; L489-A501 HydrophobicContact CD2-CB 4.22Å; L489-A501 HydrophobicContact CG-CB 4.46Å; L489-M505 HydrophobicContact CD2-CG 4.25Å; L489-M505 HydrophobicContact CD2-SD 4.28Å
490	R	95.7	Very high	95.4	Very high	98 Å²	98	72.6 Å²	72.6	37%	0.37	34%	0.34	S	S	.	.	H	α-helix	trans	-73.9	-31.3	176.2	-67.8	-175.4	74	-149.9	-10.1	113.9	V486 I487 H488 Q493 R494 L496 E498 A501	V486-R490 WeakPolarHBondContact O-CG 3.4Å; V486-R490 PolarHBondContact O-N 2.74Å; I487-R490 PolarHBondContact O-N 2.9Å; H488-R490 VanDerWaalsContact C-N 3.27Å; H488-R490 PolarHBondContact O-N 3.49Å; R490-Q493 CarbonylContact O-C 3.57Å; R490-Q493 VanDerWaalsContact O-C 3.3Å; R490-R494 VanDerWaalsContact O-CA 3.27Å; R490-R494 WeakPolarHBondContact O-CA 3.12Å; R490-R494 PolarHBondContact O-N 2.98Å; R490-R494 VanDerWaalsContact O-N 3.17Å; R490-L496 PolarHBondContact NE-O 2.92Å; R490-L496 VanDerWaalsContact NE-O 3.08Å; R490-E498 WeakPolarHBondContact CD-OE2 3.19Å; R490-E498 IonicContact CZ-OE2 2.74Å; R490-E498 IonicContact NE-OE2 2.71Å; R490-E498 IonicContact NH1-OE2 3.93Å; R490-E498 PolarHBondContact NH1-OE2 3.02Å; R490-A501 HydrophobicContact CG-CB 3.54Å
491	S	95	Very high	95.4	Very high	73 Å²	73	72.6 Å²	72.6	51%	0.51	34%	0.34	S	S	.	.	H	α-helix	trans	-69	-36.5	172.9	67.5	0	0	0	0	111.8	I487 H488	I487-S491 PolarHBondContact O-N 2.94Å; H488-S491 PolarHBondContact O-N 2.91Å; H488-S491 PolarHBondContact O-OG 3.2Å
492	L	94.2	Very high	95.4	Very high	42 Å²	42	77.3 Å²	77.3	22%	0.22	36%	0.361	C	S	.	.	H	α-helix	trans	-66.6	-44.5	171.2	-68.6	165.9	0	0	0	112.9	L375 H488 Y525	L375-L492 HydrophobicContact CD1-CD1 4.4Å; L375-L492 HydrophobicContact CD1-CD2 4.37Å; H488-L492 VanDerWaalsContact CE1-CD1 3.4Å; H488-L492 WeakPolarHBondContact CE1-CD1 3.44Å; H488-L492 VanDerWaalsContact O-CG 3.3Å; H488-L492 WeakPolarHBondContact O-CG 3.47Å; H488-L492 PolarHBondContact O-N 2.83Å; H488-L492 VanDerWaalsContact O-N 3.08Å; L492-Y525 HydrophobicContact CD1-CD2 4.24Å; L492-Y525 HydrophobicContact CD1-CE2 3.52Å; L492-Y525 HydrophobicContact CD2-CE2 4.42Å
493	Q	93.6	Very high	95.4	Very high	69 Å²	69	83.4 Å²	83.4	32%	0.322	38%	0.383	S	S	.	.	S	Bend	trans	-122.3	70.4	-175.5	-62.2	-167.2	-87.3	0	0	111.5	L375 L489 R490 R495 L496	L375-Q493 HydrophobicContact CD2-CG 3.63Å; L489-Q493 HydrophobicContact CD1-CG 4.49Å; L489-Q493 PolarHBondContact O-N 2.79Å; R490-Q493 CarbonylContact O-C 3.57Å; R490-Q493 VanDerWaalsContact O-C 3.3Å; Q493-R495 PolarHBondContact O-N 2.59Å; Q493-L496 HydrophobicContact CB-CB 4.33Å; Q493-L496 WeakPolarHBondContact O-CB 3.4Å; Q493-L496 PolarHBondContact O-N 2.95Å
494	R	92.2	Very high	95.3	Very high	224 Å²	224	84.6 Å²	84.6	85%	0.845	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-12.4	-173.3	-60.9	-165.3	-67.2	-99.2	8.9	117.3	R490	R490-R494 VanDerWaalsContact O-CA 3.27Å; R490-R494 WeakPolarHBondContact O-CA 3.12Å; R490-R494 PolarHBondContact O-N 2.98Å; R490-R494 VanDerWaalsContact O-N 3.17Å
495	R	94	Very high	95.4	Very high	251 Å²	251	80.3 Å²	80.3	95%	0.947	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.8	174.1	-56.6	-173.6	-166.6	129	0.7	113.7	Q493	Q493-R495 PolarHBondContact O-N 2.59Å
496	L	93.3	Very high	95.4	Very high	37 Å²	37	83.5 Å²	83.5	19%	0.194	38%	0.383	C	S	.	.			trans	-82.9	128.8	-174.8	-157.1	68.6	0	0	0	110.3	L489 R490 Q493 Q500 A501	L489-L496 HydrophobicContact CD1-CD2 4.33Å; L489-L496 HydrophobicContact CD2-CD2 3.94Å; L489-L496 HydrophobicContact CG-CD2 3.82Å; R490-L496 PolarHBondContact NE-O 2.92Å; R490-L496 VanDerWaalsContact NE-O 3.08Å; Q493-L496 HydrophobicContact CB-CB 4.33Å; Q493-L496 WeakPolarHBondContact O-CB 3.4Å; Q493-L496 PolarHBondContact O-N 2.95Å; L496-Q500 HydrophobicContact CD1-CB 3.61Å; L496-Q500 HydrophobicContact CD1-CG 4.49Å; L496-Q500 HydrophobicContact CG-CB 3.76Å; L496-A501 HydrophobicContact CD2-CB 3.77Å; L496-A501 HydrophobicContact CG-CB 4.25Å
497	T	95.4	Very high	95.3	Very high	65 Å²	65	86.7 Å²	86.7	40%	0.399	40%	0.396	S	S	.	.			trans	-70.2	162.8	174	73.3	0	0	0	0	110.9	D499 Q500 A501	T497-D499 VanDerWaalsContact C-N 3.3Å; T497-D499 PolarHBondContact O-N 2.91Å; T497-Q500 PolarHBondContact O-N 3.4Å; T497-Q500 WeakPolarHBondContact OG1-CB 3.39Å; T497-Q500 VanDerWaalsContact OG1-CG 3.23Å; T497-Q500 WeakPolarHBondContact OG1-CG 3.33Å; T497-Q500 PolarHBondContact OG1-N 2.77Å; T497-Q500 PolarHBondContact OG1-OE1 3.45Å; T497-A501 WeakPolarHBondContact O-CB 3.27Å; T497-A501 PolarHBondContact O-N 3.38Å
498	E	95	Very high	95.3	Very high	59 Å²	59	80.5 Å²	80.5	28%	0.276	36%	0.364	S	S	.	.	H	α-helix	trans	-56.5	-44.3	177.3	-172.9	61.4	-160.8	0	0	112.1	V486 R490 A501 K502	V486-E498 WeakPolarHBondContact CG1-OE1 3.42Å; R490-E498 WeakPolarHBondContact CD-OE2 3.19Å; R490-E498 IonicContact CZ-OE2 2.74Å; R490-E498 IonicContact NE-OE2 2.71Å; R490-E498 IonicContact NH1-OE2 3.93Å; R490-E498 PolarHBondContact NH1-OE2 3.02Å; E498-A501 PolarHBondContact O-N 3.08Å; E498-K502 HydrophobicContact CG-CD 4.28Å; E498-K502 WeakPolarHBondContact O-CG 3.3Å; E498-K502 PolarHBondContact O-N 3.02Å; E498-K502 WeakPolarHBondContact OE1-CE 3.1Å; E498-K502 IonicContact OE1-NZ 3.14Å
499	D	96.3	Very high	95.2	Very high	96 Å²	96	81.7 Å²	81.7	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-73.7	-31.1	-178.4	-52.8	-43.3	0	0	0	112.8	T497 R503	T497-D499 VanDerWaalsContact C-N 3.3Å; T497-D499 PolarHBondContact O-N 2.91Å; D499-R503 WeakPolarHBondContact O-CB 3.4Å; D499-R503 WeakPolarHBondContact O-CD 3.15Å; D499-R503 WeakPolarHBondContact O-CG 3.25Å; D499-R503 PolarHBondContact O-N 2.84Å
500	Q	96.4	Very high	95	Very high	97 Å²	97	85.5 Å²	85.5	45%	0.453	39%	0.39	S	S	.	.	H	α-helix	trans	-67	-41.1	171.2	-72.3	167.4	-8.3	0	0	111	L496 T497 S504	L496-Q500 HydrophobicContact CD1-CB 3.61Å; L496-Q500 HydrophobicContact CD1-CG 4.49Å; L496-Q500 HydrophobicContact CG-CB 3.76Å; T497-Q500 PolarHBondContact O-N 3.4Å; T497-Q500 WeakPolarHBondContact OG1-CB 3.39Å; T497-Q500 VanDerWaalsContact OG1-CG 3.23Å; T497-Q500 WeakPolarHBondContact OG1-CG 3.33Å; T497-Q500 PolarHBondContact OG1-N 2.77Å; T497-Q500 PolarHBondContact OG1-OE1 3.45Å; Q500-S504 WeakPolarHBondContact O-CB 3.5Å; Q500-S504 PolarHBondContact O-N 3.48Å
501	A	96.3	Very high	94.9	Very high	0 Å²	0	81.9 Å²	81.9	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-66.9	-41.3	176.6	0	0	0	0	0	112.1	V486 L489 R490 L496 T497 E498 S504 M505	V486-A501 HydrophobicContact CG1-CB 3.62Å; L489-A501 HydrophobicContact CD2-CB 4.22Å; L489-A501 HydrophobicContact CG-CB 4.46Å; R490-A501 HydrophobicContact CG-CB 3.54Å; L496-A501 HydrophobicContact CD2-CB 3.77Å; L496-A501 HydrophobicContact CG-CB 4.25Å; T497-A501 WeakPolarHBondContact O-CB 3.27Å; T497-A501 PolarHBondContact O-N 3.38Å; E498-A501 PolarHBondContact O-N 3.08Å; A501-S504 PolarHBondContact O-N 2.83Å; A501-M505 WeakPolarHBondContact O-CG 3.35Å; A501-M505 PolarHBondContact O-N 2.93Å
502	K	97.1	Very high	94.8	Very high	99 Å²	99	79 Å²	79	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-59.3	-52.9	173.6	-75	169.3	-179.6	163.8	0	112.1	V486 E498 S504 M505 E506	V486-K502 HydrophobicContact CG1-CG 3.93Å; V486-K502 HydrophobicContact CG2-CG 4.07Å; E498-K502 HydrophobicContact CG-CD 4.28Å; E498-K502 WeakPolarHBondContact O-CG 3.3Å; E498-K502 PolarHBondContact O-N 3.02Å; E498-K502 WeakPolarHBondContact OE1-CE 3.1Å; E498-K502 IonicContact OE1-NZ 3.14Å; K502-S504 VanDerWaalsContact C-N 3.25Å; K502-S504 PolarHBondContact O-N 2.88Å; K502-M505 PolarHBondContact O-N 2.75Å; K502-M505 VanDerWaalsContact O-N 3.11Å; K502-E506 WeakPolarHBondContact O-CB 3.47Å; K502-E506 PolarHBondContact O-N 2.76Å
503	R	96.7	Very high	94.6	Very high	171 Å²	171	78.8 Å²	78.8	65%	0.645	36%	0.355	S	S	*	.	H	α-helix	trans	-59.4	-36.4	177.3	-69.8	168.2	-166.6	-134.1	0.5	112.5	D499 E506 Q507	D499-R503 WeakPolarHBondContact O-CB 3.4Å; D499-R503 WeakPolarHBondContact O-CD 3.15Å; D499-R503 WeakPolarHBondContact O-CG 3.25Å; D499-R503 PolarHBondContact O-N 2.84Å; R503-E506 PolarHBondContact O-N 2.91Å; R503-Q507 WeakPolarHBondContact O-CB 3.5Å; R503-Q507 PolarHBondContact O-N 2.91Å
504	S	95.3	Very high	94.3	Very high	27 Å²	27	82.6 Å²	82.6	19%	0.189	37%	0.373	C	S	.	.	H	α-helix	trans	-67.8	-39.6	176.2	-174.4	0	0	0	0	112.1	Q500 A501 K502 Q507 I508	Q500-S504 WeakPolarHBondContact O-CB 3.5Å; Q500-S504 PolarHBondContact O-N 3.48Å; A501-S504 PolarHBondContact O-N 2.83Å; K502-S504 VanDerWaalsContact C-N 3.25Å; K502-S504 PolarHBondContact O-N 2.88Å; S504-Q507 PolarHBondContact O-N 3.1Å; S504-I508 WeakPolarHBondContact O-CD1 3.49Å; S504-I508 WeakPolarHBondContact O-CG1 3.38Å; S504-I508 PolarHBondContact O-N 2.97Å; S504-I508 VanDerWaalsContact O-N 3.11Å
505	M	95.8	Very high	94.2	Very high	35 Å²	35	72.6 Å²	72.6	17%	0.172	34%	0.336	C	S	.	.	H	α-helix	trans	-67.6	-38.5	173.7	-69.4	-61.5	-57.9	0	0	112.4	P483 V486 L489 A501 K502 I508 Q509	P483-M505 HydrophobicContact CB-SD 3.94Å; P483-M505 HydrophobicContact CG-SD 3.93Å; P483-M505 WeakPolarHBondContact O-CE 3.29Å; V486-M505 HydrophobicContact CG2-CB 4.24Å; V486-M505 HydrophobicContact CG2-CG 3.79Å; L489-M505 HydrophobicContact CD2-CG 4.25Å; L489-M505 HydrophobicContact CD2-SD 4.28Å; A501-M505 WeakPolarHBondContact O-CG 3.35Å; A501-M505 PolarHBondContact O-N 2.93Å; K502-M505 PolarHBondContact O-N 2.75Å; K502-M505 VanDerWaalsContact O-N 3.11Å; M505-I508 PolarHBondContact O-N 3.49Å; M505-I508 HydrophobicContact SD-CD1 4.01Å; M505-Q509 PolarHBondContact O-N 3.27Å
506	E	96.2	Very high	94	Very high	118 Å²	118	62.1 Å²	62.1	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-60.3	-46.7	173.1	-177.9	179.3	-163.4	0	0	111.4	K502 R503 I508 Q509 N510	K502-E506 WeakPolarHBondContact O-CB 3.47Å; K502-E506 PolarHBondContact O-N 2.76Å; R503-E506 PolarHBondContact O-N 2.91Å; E506-I508 PolarHBondContact O-N 3.03Å; E506-Q509 PolarHBondContact O-N 3.42Å; E506-N510 VanDerWaalsContact O-CG 3.26Å; E506-N510 PolarHBondContact O-N 3.1Å; E506-N510 PolarHBondContact O-OD1 3.02Å
507	Q	94.8	Very high	93.9	Very high	99 Å²	99	63.8 Å²	63.8	46%	0.463	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-39.7	176.1	-173.6	179.3	3.2	0	0	112.7	R503 S504 I511	R503-Q507 WeakPolarHBondContact O-CB 3.5Å; R503-Q507 PolarHBondContact O-N 2.91Å; S504-Q507 PolarHBondContact O-N 3.1Å; Q507-I511 HydrophobicContact CG-CD1 4.15Å; Q507-I511 WeakPolarHBondContact O-CB 3.36Å; Q507-I511 VanDerWaalsContact O-CG1 3.28Å; Q507-I511 WeakPolarHBondContact O-CG1 3.42Å; Q507-I511 PolarHBondContact O-N 3.14Å
508	I	95.1	Very high	93.7	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-45.7	174.5	-67.2	160.7	0	0	0	110.6	P374 L480 K482 P483 S504 M505 E506 I511 E512	P374-I508 HydrophobicContact CG-CD1 3.69Å; L480-I508 HydrophobicContact CD1-CG2 4.16Å; L480-I508 HydrophobicContact CD2-CG2 4.11Å; L480-I508 HydrophobicContact CG-CG2 4.28Å; K482-I508 HydrophobicContact CB-CG2 4.29Å; K482-I508 HydrophobicContact CD-CG2 4.43Å; K482-I508 HydrophobicContact CG-CG2 4.02Å; P483-I508 HydrophobicContact CG-CD1 4.29Å; S504-I508 WeakPolarHBondContact O-CD1 3.49Å; S504-I508 WeakPolarHBondContact O-CG1 3.38Å; S504-I508 PolarHBondContact O-N 2.97Å; S504-I508 VanDerWaalsContact O-N 3.11Å; M505-I508 PolarHBondContact O-N 3.49Å; M505-I508 HydrophobicContact SD-CD1 4.01Å; E506-I508 PolarHBondContact O-N 3.03Å; I508-I511 PolarHBondContact O-N 2.94Å; I508-E512 PolarHBondContact O-N 2.87Å
509	Q	93.8	Very high	93.7	Very high	53 Å²	53	60.1 Å²	60.1	25%	0.248	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-41.4	-179.2	-170.3	60	42.7	0	0	111.6	M505 E506 E512 D513	M505-Q509 PolarHBondContact O-N 3.27Å; E506-Q509 PolarHBondContact O-N 3.42Å; Q509-E512 PolarHBondContact O-N 3.04Å; Q509-D513 PolarHBondContact NE2-OD1 2.89Å; Q509-D513 PolarHBondContact NE2-OD2 3.01Å; Q509-D513 WeakPolarHBondContact O-CB 3.36Å; Q509-D513 VanDerWaalsContact O-CG 3.28Å; Q509-D513 PolarHBondContact O-N 2.92Å
510	N	93.7	Very high	93.7	Very high	80 Å²	80	56.1 Å²	56.1	43%	0.428	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-42.9	176.1	-64.5	-6.7	0	0	0	111.8	E506 E512 D513 E514	E506-N510 VanDerWaalsContact O-CG 3.26Å; E506-N510 PolarHBondContact O-N 3.1Å; E506-N510 PolarHBondContact O-OD1 3.02Å; N510-E512 VanDerWaalsContact C-N 3.31Å; N510-E512 PolarHBondContact O-N 2.79Å; N510-D513 PolarHBondContact O-N 3.27Å; N510-E514 WeakPolarHBondContact O-CB 3.21Å; N510-E514 WeakPolarHBondContact O-CG 3.47Å; N510-E514 PolarHBondContact O-N 2.92Å
511	I	93.1	Very high	93.6	Very high	22 Å²	22	51.8 Å²	51.8	11%	0.113	24%	0.238	C	C	.	.	H	α-helix	trans	-56.8	-45.7	174.3	-75.5	168.5	0	0	0	110.8	F372 L463 L480 Q507 I508 N515	F372-I511 HydrophobicContact CB-CD1 4.41Å; F372-I511 HydrophobicContact CB-CG2 4.48Å; F372-I511 HydrophobicContact CD1-CD1 4.4Å; L463-I511 HydrophobicContact CD1-CB 4.29Å; L463-I511 HydrophobicContact CD1-CG1 3.98Å; L463-I511 HydrophobicContact CD1-CG2 3.77Å; L480-I511 HydrophobicContact CD1-CG2 3.92Å; L480-I511 HydrophobicContact CD2-CG2 4.26Å; Q507-I511 HydrophobicContact CG-CD1 4.15Å; Q507-I511 WeakPolarHBondContact O-CB 3.36Å; Q507-I511 VanDerWaalsContact O-CG1 3.28Å; Q507-I511 WeakPolarHBondContact O-CG1 3.42Å; Q507-I511 PolarHBondContact O-N 3.14Å; I508-I511 PolarHBondContact O-N 2.94Å; I511-N515 WeakPolarHBondContact O-CA 3.18Å; I511-N515 WeakPolarHBondContact O-CB 3.25Å; I511-N515 PolarHBondContact O-N 2.86Å
512	E	93.2	Very high	93.6	Very high	11 Å²	11	52.6 Å²	52.6	5%	0.051	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-44.5	177.9	-162	-170.3	108.4	0	0	112.5	R353 L480 K482 I508 Q509 N510 W516 L519 I522	R353-E512 IonicContact CZ-OE1 3.64Å; R353-E512 IonicContact NH1-OE1 2.71Å; R353-E512 PolarHBondContact NH1-OE1 3.42Å; R353-E512 PolarHBondContact NH2-O 2.96Å; R353-E512 IonicContact NH2-OE1 3.54Å; L480-E512 HydrophobicContact CD2-CB 3.88Å; L480-E512 HydrophobicContact CD2-CG 4.24Å; K482-E512 WeakPolarHBondContact CD-OE2 3.32Å; K482-E512 WeakPolarHBondContact CE-OE2 3.43Å; K482-E512 IonicContact NZ-OE1 2.73Å; K482-E512 PolarHBondContact NZ-OE1 2.8Å; K482-E512 IonicContact NZ-OE2 3.62Å; K482-E512 PolarHBondContact NZ-OE2 3.14Å; I508-E512 PolarHBondContact O-N 2.87Å; Q509-E512 PolarHBondContact O-N 3.04Å; N510-E512 VanDerWaalsContact C-N 3.31Å; N510-E512 PolarHBondContact O-N 2.79Å; E512-W516 WeakPolarHBondContact O-CB 3.14Å; E512-W516 VanDerWaalsContact O-CD1 3.31Å; E512-W516 PolarHBondContact O-N 3.05Å; E512-W516 VanDerWaalsContact O-N 3.11Å; E512-L519 HydrophobicContact CG-CD1 4.41Å; E512-I522 HydrophobicContact CG-CD1 3.67Å
513	D	88.4	Confident	93.6	Very high	38 Å²	38	48.7 Å²	48.7	20%	0.203	23%	0.226	C	C	.	.	H	α-helix	trans	-70.6	-34	-174.6	-72.3	-14.3	0	0	0	112.9	N233 R353 Q509 N510	N233-D513 VanDerWaalsContact CB-OD1 3.29Å; N233-D513 WeakPolarHBondContact CB-OD1 3.4Å; R353-D513 IonicContact CZ-OD1 3.93Å; R353-D513 IonicContact NH2-OD1 3.78Å; R353-D513 PolarHBondContact NH2-OD1 3.5Å; Q509-D513 PolarHBondContact NE2-OD1 2.89Å; Q509-D513 PolarHBondContact NE2-OD2 3.01Å; Q509-D513 WeakPolarHBondContact O-CB 3.36Å; Q509-D513 VanDerWaalsContact O-CG 3.28Å; Q509-D513 PolarHBondContact O-N 2.92Å; N510-D513 PolarHBondContact O-N 3.27Å
514	E	88.1	Confident	93.5	Very high	150 Å²	150	44.3 Å²	44.3	70%	0.701	22%	0.219	S	C	*	.	H	α-helix	trans	-88.6	-33.4	178	-66.5	177.8	173.7	0	0	113.6	N510	N510-E514 WeakPolarHBondContact O-CB 3.21Å; N510-E514 WeakPolarHBondContact O-CG 3.47Å; N510-E514 PolarHBondContact O-N 2.92Å
515	N	90.1	Very high	93.5	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.07	21%	0.211	C	C	.	.	H	α-helix	trans	-125.4	12.5	-165.6	-57.9	-93	0	0	0	115.2	L463 K467 I511 R517 F518 L519	L463-N515 HydrophobicContact CD1-CB 3.97Å; L463-N515 HydrophobicContact CD2-CB 4.04Å; L463-N515 HydrophobicContact CG-CB 4.4Å; K467-N515 VanDerWaalsContact CE-OD1 3.23Å; K467-N515 WeakPolarHBondContact CE-OD1 3.32Å; K467-N515 PolarHBondContact NZ-OD1 3.43Å; I511-N515 WeakPolarHBondContact O-CA 3.18Å; I511-N515 WeakPolarHBondContact O-CB 3.25Å; I511-N515 PolarHBondContact O-N 2.86Å; N515-R517 PolarHBondContact O-N 3.24Å; N515-F518 PolarHBondContact O-N 3.05Å; N515-L519 PolarHBondContact O-N 2.94Å
516	W	89.9	Confident	93.4	Very high	32 Å²	32	46.8 Å²	46.8	12%	0.121	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-44.6	-31.8	178.4	54.9	-92.3	0	0	0	114.9	L91 H111 V351 R353 E512 F518 L519	L91-W516 HydrophobicContact CB-CE3 3.95Å; L91-W516 HydrophobicContact CB-CZ3 4.04Å; L91-W516 HydrophobicContact CD1-CE3 4.14Å; L91-W516 HydrophobicContact CD1-CH2 4.12Å; L91-W516 HydrophobicContact CD1-CZ3 3.38Å; L91-W516 HydrophobicContact CD2-CE3 3.91Å; L91-W516 HydrophobicContact CD2-CZ3 3.8Å; L91-W516 HydrophobicContact CG-CE3 4.21Å; L91-W516 HydrophobicContact CG-CZ3 3.93Å; H111-W516 WeakPolarHBondContact NE2-CA 3.46Å; H111-W516 WeakPolarHBondContact NE2-CB 3.4Å; H111-W516 AromaticContact NE2-CE3 3.93Å; H111-W516 PolarHBondContact NE2-O 3.49Å; V351-W516 HydrophobicContact CG1-CZ2 3.76Å; R353-W516 HydrophobicContact CG-CD2 3.89Å; R353-W516 HydrophobicContact CG-CE3 4.43Å; R353-W516 HydrophobicContact CG-CG 4.06Å; E512-W516 WeakPolarHBondContact O-CB 3.14Å; E512-W516 VanDerWaalsContact O-CD1 3.31Å; E512-W516 PolarHBondContact O-N 3.05Å; E512-W516 VanDerWaalsContact O-N 3.11Å; W516-F518 VanDerWaalsContact C-N 3.28Å; W516-F518 PolarHBondContact O-N 2.96Å; W516-L519 PolarHBondContact O-N 2.99Å
517	R	91.6	Very high	93.4	Very high	71 Å²	71	43.9 Å²	43.9	27%	0.268	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-62.2	-34.7	179	-176.5	177.9	174.9	72.4	20	112.9	R89 D356 N515	R89-R517 PolarHBondContact NH1-O 2.84Å; R89-R517 PolarHBondContact NH2-O 2.95Å; D356-R517 VanDerWaalsContact CG-NH1 3.26Å; D356-R517 IonicContact OD1-CZ 3.73Å; D356-R517 VanDerWaalsContact OD1-CZ 3.27Å; D356-R517 IonicContact OD1-NH1 3.26Å; D356-R517 PolarHBondContact OD1-NH1 2.98Å; D356-R517 IonicContact OD1-NH2 2.69Å; D356-R517 PolarHBondContact OD1-NH2 2.88Å; D356-R517 IonicContact OD2-CZ 3.23Å; D356-R517 IonicContact OD2-NH1 2.69Å; D356-R517 IonicContact OD2-NH2 2.75Å; D356-R517 PolarHBondContact OD2-NH2 2.71Å; D356-R517 VanDerWaalsContact OD2-NH2 3.14Å; N515-R517 PolarHBondContact O-N 3.24Å
518	F	91.2	Very high	93.4	Very high	47 Å²	47	39.8 Å²	39.8	21%	0.206	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-96.6	-6.2	-174.1	-57.2	-73.1	0	0	0	113	K467 E470 T478 N515 W516	K467-F518 HydrophobicContact CB-CE1 4.49Å; K467-F518 HydrophobicContact CD-CD2 4.32Å; K467-F518 HydrophobicContact CD-CE2 4.04Å; K467-F518 HydrophobicContact CD-CZ 4.28Å; K467-F518 HydrophobicContact CG-CD1 3.92Å; K467-F518 HydrophobicContact CG-CD2 3.94Å; K467-F518 HydrophobicContact CG-CE1 3.84Å; K467-F518 HydrophobicContact CG-CE2 3.86Å; K467-F518 HydrophobicContact CG-CG 3.97Å; K467-F518 HydrophobicContact CG-CZ 3.8Å; E470-F518 WeakPolarHBondContact OE2-CD1 3.46Å; T478-F518 WeakPolarHBondContact CB-O 3.44Å; T478-F518 PolarHBondContact OG1-O 3.44Å; N515-F518 PolarHBondContact O-N 3.05Å; W516-F518 VanDerWaalsContact C-N 3.28Å; W516-F518 PolarHBondContact O-N 2.96Å
519	L	94.9	Very high	93.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.			trans	-72.9	131.4	166.1	-56.5	-177.6	0	0	0	108.5	R89 L463 T478 L480 E512 N515 W516 I522	R89-L519 PolarHBondContact NH1-O 3.44Å; L463-L519 HydrophobicContact CD2-CD2 4.29Å; T478-L519 HydrophobicContact CG2-CD2 3.86Å; L480-L519 HydrophobicContact CB-CD1 3.93Å; L480-L519 HydrophobicContact CB-CD2 4.15Å; L480-L519 HydrophobicContact CD2-CD1 3.77Å; L480-L519 HydrophobicContact CG-CD1 4.5Å; E512-L519 HydrophobicContact CG-CD1 4.41Å; N515-L519 PolarHBondContact O-N 2.94Å; W516-L519 PolarHBondContact O-N 2.99Å; L519-I522 HydrophobicContact CD1-CD1 4.19Å; L519-I522 HydrophobicContact CD1-CG1 3.85Å
520	S	95.3	Very high	93.5	Very high	12 Å²	12	45.3 Å²	45.3	8%	0.084	23%	0.227	C	C	.	.	S	Bend	trans	-82	-39.5	169.3	-49.2	0	0	0	0	110.2	G112 T478 Y538	G112-S520 VanDerWaalsContact CA-O 3.22Å; G112-S520 WeakPolarHBondContact CA-O 3.42Å; T478-S520 PolarHBondContact N-OG 3.12Å; T478-S520 WeakPolarHBondContact O-CA 3.33Å; T478-S520 WeakPolarHBondContact O-CB 3.43Å; T478-S520 PolarHBondContact O-N 3.42Å; S520-Y538 VanDerWaalsContact C-OH 3.28Å; S520-Y538 WeakPolarHBondContact CB-OH 3.25Å; S520-Y538 PolarHBondContact O-OH 2.96Å
521	A	95.7	Very high	93.6	Very high	6 Å²	6	41.5 Å²	41.5	5%	0.05	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.9	175.4	0	0	0	0	0	112.6	T478 L480 I523 Y538	T478-A521 PolarHBondContact O-N 3.3Å; L480-A521 PolarHBondContact N-O 2.89Å; A521-I523 HydrophobicContact CB-CG1 4.28Å; A521-Y538 HydrophobicContact CB-CD1 4.38Å; A521-Y538 HydrophobicContact CB-CD2 3.99Å; A521-Y538 HydrophobicContact CB-CE1 4.04Å; A521-Y538 HydrophobicContact CB-CE2 3.61Å; A521-Y538 HydrophobicContact CB-CG 4.37Å
522	I	96.4	Very high	93.8	Very high	18 Å²	18	41.5 Å²	41.5	9%	0.092	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	102.3	167	-57.2	164.8	0	0	0	106.6	H111 L480 K482 E512 L519	H111-I522 HydrophobicContact CB-CD1 3.97Å; H111-I522 HydrophobicContact CB-CG1 4.44Å; L480-I522 HydrophobicContact CB-CG1 4.38Å; L480-I522 HydrophobicContact CD2-CG1 4.41Å; L480-I522 HydrophobicContact CD2-CG2 4.37Å; L480-I522 CarbonylContact O-C 3.57Å; L480-I522 WeakPolarHBondContact O-CA 3.21Å; K482-I522 HydrophobicContact CB-CG2 3.93Å; K482-I522 HydrophobicContact CD-CG2 3.81Å; E512-I522 HydrophobicContact CG-CD1 3.67Å; L519-I522 HydrophobicContact CD1-CD1 4.19Å; L519-I522 HydrophobicContact CD1-CG1 3.85Å
523	I	96.4	Very high	94	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.082	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	109.5	-177.3	-60.3	-177.2	0	0	0	108.7	I479 L480 K482 A521 Y525 V531 V535	I479-I523 HydrophobicContact CD1-CD1 4.39Å; I479-I523 HydrophobicContact CG2-CB 4.46Å; I479-I523 HydrophobicContact CG2-CD1 3.67Å; I479-I523 HydrophobicContact CG2-CG1 3.94Å; L480-I523 PolarHBondContact O-N 3.08Å; K482-I523 PolarHBondContact N-O 3.23Å; A521-I523 HydrophobicContact CB-CG1 4.28Å; I523-Y525 WeakPolarHBondContact O-CD1 3.38Å; I523-V531 HydrophobicContact CG2-CG2 4.03Å; I523-V535 HydrophobicContact CD1-CG2 3.84Å
524	T	95.2	Very high	94.3	Very high	80 Å²	80	46.4 Å²	46.4	49%	0.491	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	142.4	163	61.8	0	0	0	0	110.9	K482	K482-T524 HydrophobicContact CB-CG2 4.15Å; K482-T524 HydrophobicContact CD-CG2 4.47Å; K482-T524 HydrophobicContact CG-CG2 4.32Å; K482-T524 WeakPolarHBondContact O-CA 3.21Å
525	Y	95	Very high	94.7	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.024	20%	0.204	C	C	.	.			trans	-147.6	176.3	-171.5	56.8	-85.6	0	0	0	112.9	L375 L481 H488 L492 I523 V531	L375-Y525 HydrophobicContact CD1-CE2 3.59Å; L481-Y525 HydrophobicContact CB-CE1 3.98Å; H488-Y525 AromaticContact CE1-CD2 3.46Å; H488-Y525 VanDerWaalsContact CE1-CD2 3.46Å; H488-Y525 WeakPolarHBondContact CE1-CD2 3.07Å; H488-Y525 AromaticContact CE1-CE2 3.72Å; H488-Y525 AromaticContact CE1-CG 3.98Å; H488-Y525 PolarHBondContact CE1-O 2.94Å; L492-Y525 HydrophobicContact CD1-CD2 4.24Å; L492-Y525 HydrophobicContact CD1-CE2 3.52Å; L492-Y525 HydrophobicContact CD2-CE2 4.42Å; I523-Y525 WeakPolarHBondContact O-CD1 3.38Å; Y525-V531 HydrophobicContact CD1-CB 4.04Å; Y525-V531 HydrophobicContact CD1-CG2 3.6Å; Y525-V531 HydrophobicContact CD2-CB 3.86Å; Y525-V531 HydrophobicContact CD2-CG1 4.04Å; Y525-V531 HydrophobicContact CD2-CG2 4.28Å; Y525-V531 HydrophobicContact CE1-CG2 4.11Å; Y525-V531 HydrophobicContact CE2-CG1 4.36Å; Y525-V531 HydrophobicContact CG-CB 3.59Å; Y525-V531 HydrophobicContact CG-CG1 4.27Å; Y525-V531 HydrophobicContact CG-CG2 3.71Å
526	E	93.8	Very high	95	Very high	107 Å²	107	42.1 Å²	42.1	50%	0.5	22%	0.215	S	C	.	.	S	Bend	trans	-121.3	-39.3	-173.3	-46.9	-157.6	123	0	0	113.1	K484 H488	K484-E526 IonicContact NZ-OE1 2.63Å; K484-E526 PolarHBondContact NZ-OE1 3.35Å; H488-E526 WeakPolarHBondContact NE2-CA 3.46Å; H488-E526 PolarHBondContact NE2-O 2.99Å
527	N	94.9	Very high	95.2	Very high	58 Å²	58	45.2 Å²	45.2	31%	0.31	23%	0.234	S	C	.	.	S	Bend	trans	-143.7	179.4	-179.6	64.2	51.5	0	0	0	109	D529 N530 V531	N527-D529 PolarHBondContact OD1-N 3.3Å; N527-N530 PolarHBondContact ND2-ND2 3.26Å; N527-N530 PolarHBondContact ND2-OD1 3.25Å; N527-N530 WeakPolarHBondContact OD1-CB 3.5Å; N527-N530 PolarHBondContact OD1-N 3.16Å; N527-N530 PolarHBondContact OD1-OD1 3.03Å; N527-V531 PolarHBondContact O-N 2.99Å
528	F	95.6	Very high	95.4	Very high	13 Å²	13	43.7 Å²	43.7	6%	0.057	23%	0.229	C	C	.	.	H	α-helix	trans	-71.4	-38	-176.8	-178.4	-100.9	0	0	0	113.5	L375 R378 I379 E382 V531 L532	L375-F528 HydrophobicContact CD1-CD2 4.27Å; R378-F528 HydrophobicContact CB-CE2 3.87Å; R378-F528 HydrophobicContact CB-CZ 4.3Å; R378-F528 VanDerWaalsContact CD-CE2 3.44Å; R378-F528 HydrophobicContact CG-CD2 4.37Å; R378-F528 HydrophobicContact CG-CE1 4.46Å; R378-F528 HydrophobicContact CG-CE2 3.56Å; R378-F528 HydrophobicContact CG-CZ 3.61Å; R378-F528 VanDerWaalsContact CZ-CG 3.44Å; R378-F528 VanDerWaalsContact NH1-CG 3.26Å; I379-F528 HydrophobicContact CG1-CE2 3.74Å; I379-F528 HydrophobicContact CG1-CZ 4.27Å; E382-F528 HydrophobicContact CB-CZ 4.48Å; E382-F528 HydrophobicContact CG-CE1 3.76Å; E382-F528 HydrophobicContact CG-CZ 3.59Å; F528-V531 HydrophobicContact CD2-CG1 4.42Å; F528-V531 WeakPolarHBondContact O-CG1 3.4Å; F528-V531 PolarHBondContact O-N 3.36Å; F528-L532 HydrophobicContact CE1-CB 4.47Å; F528-L532 HydrophobicContact CE1-CD2 4.03Å; F528-L532 HydrophobicContact CZ-CD2 4.45Å; F528-L532 WeakPolarHBondContact O-CB 3.3Å; F528-L532 PolarHBondContact O-N 2.73Å
529	D	95.9	Very high	95.6	Very high	107 Å²	107	41.5 Å²	41.5	57%	0.572	22%	0.22	S	C	*	.	H	α-helix	trans	-76	-37.8	-170.7	-46	-68.1	0	0	0	110.6	N527 L532 L533	N527-D529 PolarHBondContact OD1-N 3.3Å; D529-L532 PolarHBondContact O-N 2.98Å; D529-L533 WeakPolarHBondContact O-CB 3.49Å; D529-L533 PolarHBondContact O-N 3.47Å
530	N	95.2	Very high	95.5	Very high	65 Å²	65	47.6 Å²	47.6	35%	0.348	25%	0.248	S	C	.	.	H	α-helix	trans	-59.5	-46.1	170.1	-72.1	7.8	0	0	0	111.4	N527 L533 S534	N527-N530 PolarHBondContact ND2-ND2 3.26Å; N527-N530 PolarHBondContact ND2-OD1 3.25Å; N527-N530 WeakPolarHBondContact OD1-CB 3.5Å; N527-N530 PolarHBondContact OD1-N 3.16Å; N527-N530 PolarHBondContact OD1-OD1 3.03Å; N530-L533 PolarHBondContact O-N 3.02Å; N530-S534 PolarHBondContact O-N 2.95Å; N530-S534 PolarHBondContact O-OG 3.03Å; N530-S534 VanDerWaalsContact O-OG 3.13Å
531	V	96.4	Very high	95.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69.6	-37.1	-179.4	69.3	0	0	0	0	112.2	I379 L481 I523 Y525 N527 F528 L533 S534 V535	I379-V531 HydrophobicContact CD1-CB 4.43Å; I379-V531 HydrophobicContact CD1-CG1 3.78Å; I379-V531 HydrophobicContact CD1-CG2 3.88Å; I379-V531 HydrophobicContact CG1-CG1 4.48Å; L481-V531 HydrophobicContact CD2-CG2 3.78Å; I523-V531 HydrophobicContact CG2-CG2 4.03Å; Y525-V531 HydrophobicContact CD1-CB 4.04Å; Y525-V531 HydrophobicContact CD1-CG2 3.6Å; Y525-V531 HydrophobicContact CD2-CB 3.86Å; Y525-V531 HydrophobicContact CD2-CG1 4.04Å; Y525-V531 HydrophobicContact CD2-CG2 4.28Å; Y525-V531 HydrophobicContact CE1-CG2 4.11Å; Y525-V531 HydrophobicContact CE2-CG1 4.36Å; Y525-V531 HydrophobicContact CG-CB 3.59Å; Y525-V531 HydrophobicContact CG-CG1 4.27Å; Y525-V531 HydrophobicContact CG-CG2 3.71Å; N527-V531 PolarHBondContact O-N 2.99Å; F528-V531 HydrophobicContact CD2-CG1 4.42Å; F528-V531 WeakPolarHBondContact O-CG1 3.4Å; F528-V531 PolarHBondContact O-N 3.36Å; V531-L533 VanDerWaalsContact C-N 3.33Å; V531-L533 PolarHBondContact O-N 1.9Å; V531-S534 PolarHBondContact O-N 2.41Å; V531-V535 HydrophobicContact CG2-CG2 4.48Å; V531-V535 WeakPolarHBondContact O-CB 3.27Å; V531-V535 VanDerWaalsContact O-CG2 3.29Å; V531-V535 WeakPolarHBondContact O-CG2 3.08Å; V531-V535 PolarHBondContact O-N 3.08Å
532	L	97.2	Very high	95.1	Very high	22 Å²	22	52 Å²	52	12%	0.115	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-39.3	174.4	-176.5	61.1	0	0	0	111.6	I379 E382 L383 F528 D529 K536	I379-L532 HydrophobicContact CG2-CD1 4.09Å; E382-L532 HydrophobicContact CB-CD1 4.16Å; E382-L532 HydrophobicContact CB-CD2 3.99Å; E382-L532 HydrophobicContact CG-CD2 4.22Å; L383-L532 HydrophobicContact CD2-CD1 4.08Å; L383-L532 HydrophobicContact CG-CD1 4.27Å; F528-L532 HydrophobicContact CE1-CB 4.47Å; F528-L532 HydrophobicContact CE1-CD2 4.03Å; F528-L532 HydrophobicContact CZ-CD2 4.45Å; F528-L532 WeakPolarHBondContact O-CB 3.3Å; F528-L532 PolarHBondContact O-N 2.73Å; D529-L532 PolarHBondContact O-N 2.98Å; L532-K536 WeakPolarHBondContact O-CG 2.87Å; L532-K536 PolarHBondContact O-N 3.36Å
533	L	96.2	Very high	94.9	Very high	99 Å²	99	52.7 Å²	52.7	52%	0.518	27%	0.274	S	S	.	.	H	α-helix	trans	-67.4	-46.3	174.4	-178.8	59.8	0	0	0	112.1	D529 N530 V531 V535 K536 N537	D529-L533 WeakPolarHBondContact O-CB 3.49Å; D529-L533 PolarHBondContact O-N 3.47Å; N530-L533 PolarHBondContact O-N 3.02Å; V531-L533 VanDerWaalsContact C-N 3.33Å; V531-L533 PolarHBondContact O-N 1.9Å; L533-V535 VanDerWaalsContact C-N 3.32Å; L533-V535 PolarHBondContact O-N 3.4Å; L533-K536 PolarHBondContact O-N 2.85Å; L533-N537 WeakPolarHBondContact O-CB 3.46Å; L533-N537 VanDerWaalsContact O-CG 3.22Å; L533-N537 PolarHBondContact O-N 2.82Å
534	S	95.7	Very high	94.5	Very high	53 Å²	53	53.3 Å²	53.3	37%	0.371	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-43.1	175.3	-66.6	0	0	0	0	112.1	N530 V531 N537 Y538	N530-S534 PolarHBondContact O-N 2.95Å; N530-S534 PolarHBondContact O-OG 3.03Å; N530-S534 VanDerWaalsContact O-OG 3.13Å; V531-S534 PolarHBondContact O-N 2.41Å; S534-N537 PolarHBondContact O-N 2.9Å; S534-Y538 WeakPolarHBondContact O-CB 3.36Å; S534-Y538 PolarHBondContact O-N 3.34Å
535	V	96.9	Very high	94.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-48.8	175.4	163.6	0	0	0	0	111.4	F371 I379 L383 I479 L481 I523 V531 L533 N537 Y538 V539	F371-V535 HydrophobicContact CE1-CB 4.42Å; F371-V535 HydrophobicContact CE1-CG1 3.6Å; F371-V535 HydrophobicContact CE1-CG2 3.87Å; F371-V535 HydrophobicContact CZ-CG1 3.54Å; I379-V535 HydrophobicContact CD1-CG2 4.35Å; I379-V535 HydrophobicContact CG2-CG1 4.14Å; I379-V535 HydrophobicContact CG2-CG2 4.5Å; L383-V535 HydrophobicContact CD1-CG1 4.15Å; I479-V535 HydrophobicContact CD1-CG1 4.46Å; I479-V535 HydrophobicContact CD1-CG2 4.41Å; I479-V535 HydrophobicContact CG2-CG2 4.47Å; L481-V535 HydrophobicContact CD2-CG2 4.2Å; I523-V535 HydrophobicContact CD1-CG2 3.84Å; V531-V535 HydrophobicContact CG2-CG2 4.48Å; V531-V535 WeakPolarHBondContact O-CB 3.27Å; V531-V535 VanDerWaalsContact O-CG2 3.29Å; V531-V535 WeakPolarHBondContact O-CG2 3.08Å; V531-V535 PolarHBondContact O-N 3.08Å; L533-V535 VanDerWaalsContact C-N 3.32Å; L533-V535 PolarHBondContact O-N 3.4Å; V535-N537 PolarHBondContact O-N 2.74Å; V535-Y538 PolarHBondContact O-N 3.49Å; V535-V539 HydrophobicContact CG1-CG2 4.46Å; V535-V539 WeakPolarHBondContact O-CB 3.26Å; V535-V539 VanDerWaalsContact O-CG2 3.32Å; V535-V539 WeakPolarHBondContact O-CG2 3.26Å; V535-V539 PolarHBondContact O-N 2.71Å
536	K	96.1	Very high	94.1	Very high	72 Å²	72	54.6 Å²	54.6	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-45.5	178.1	-76.4	179.6	177.3	-172.8	0	111.9	L383 L532 L533 V539 Q540	L383-K536 HydrophobicContact CD2-CD 4.47Å; L383-K536 HydrophobicContact CD2-CG 3.89Å; L532-K536 WeakPolarHBondContact O-CG 2.87Å; L532-K536 PolarHBondContact O-N 3.36Å; L533-K536 PolarHBondContact O-N 2.85Å; K536-V539 PolarHBondContact O-N 3.26Å; K536-Q540 VanDerWaalsContact O-CB 3.25Å; K536-Q540 WeakPolarHBondContact O-CB 3.38Å; K536-Q540 PolarHBondContact O-N 3.13Å
537	N	94.3	Very high	94.1	Very high	97 Å²	97	49.6 Å²	49.6	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-42.5	178.5	-68.1	-8.2	0	0	0	112.1	L533 S534 V535 Q540 L541	L533-N537 WeakPolarHBondContact O-CB 3.46Å; L533-N537 VanDerWaalsContact O-CG 3.22Å; L533-N537 PolarHBondContact O-N 2.82Å; S534-N537 PolarHBondContact O-N 2.9Å; V535-N537 PolarHBondContact O-N 2.74Å; N537-Q540 PolarHBondContact O-N 2.89Å; N537-L541 WeakPolarHBondContact O-CB 3.34Å; N537-L541 PolarHBondContact O-N 2.83Å
538	Y	94.6	Very high	94	Very high	39 Å²	39	48.3 Å²	48.3	15%	0.153	26%	0.262	C	S	.	.	H	α-helix	trans	-66.1	-45.1	178.3	-170.3	-87.8	0	0	0	112	I477 I479 S520 A521 S534 V535 Q540 L541 H542	I477-Y538 HydrophobicContact CG2-CD1 4.07Å; I477-Y538 HydrophobicContact CG2-CE1 3.95Å; I479-Y538 HydrophobicContact CD1-CD1 4.01Å; I479-Y538 HydrophobicContact CG1-CD1 4.34Å; S520-Y538 VanDerWaalsContact C-OH 3.28Å; S520-Y538 WeakPolarHBondContact CB-OH 3.25Å; S520-Y538 PolarHBondContact O-OH 2.96Å; A521-Y538 HydrophobicContact CB-CD1 4.38Å; A521-Y538 HydrophobicContact CB-CD2 3.99Å; A521-Y538 HydrophobicContact CB-CE1 4.04Å; A521-Y538 HydrophobicContact CB-CE2 3.61Å; A521-Y538 HydrophobicContact CB-CG 4.37Å; S534-Y538 WeakPolarHBondContact O-CB 3.36Å; S534-Y538 PolarHBondContact O-N 3.34Å; V535-Y538 PolarHBondContact O-N 3.49Å; Y538-Q540 VanDerWaalsContact C-N 3.34Å; Y538-Q540 PolarHBondContact O-N 3.36Å; Y538-L541 PolarHBondContact O-N 2.98Å; Y538-H542 AromaticContact CD1-CD2 3.87Å; Y538-H542 AromaticContact CD2-CD2 3.62Å; Y538-H542 AromaticContact CD2-NE2 3.88Å; Y538-H542 HydrophobicContact CE1-CB 4.3Å; Y538-H542 AromaticContact CE1-CD2 3.54Å; Y538-H542 AromaticContact CE2-CD2 3.27Å; Y538-H542 WeakPolarHBondContact CE2-CD2 3.27Å; Y538-H542 AromaticContact CE2-NE2 3.3Å; Y538-H542 VanDerWaalsContact CE2-NE2 3.3Å; Y538-H542 WeakPolarHBondContact CE2-NE2 3.04Å; Y538-H542 AromaticContact CG-CD2 3.89Å; Y538-H542 AromaticContact CZ-CD2 3.21Å; Y538-H542 AromaticContact CZ-CG 3.95Å; Y538-H542 AromaticContact CZ-NE2 3.56Å; Y538-H542 PolarHBondContact O-CD2 2.89Å; Y538-H542 VanDerWaalsContact O-CD2 3.29Å; Y538-H542 PolarHBondContact O-N 3.44Å
539	V	95.4	Very high	93.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-42.8	175.8	172.5	0	0	0	0	111	L369 F390 I456 I477 I479 V535 K536 L541 H542 S543	L369-V539 HydrophobicContact CD1-CG2 3.96Å; L369-V539 HydrophobicContact CD2-CG2 3.87Å; F390-V539 HydrophobicContact CE1-CG1 4.04Å; F390-V539 HydrophobicContact CZ-CG1 4.04Å; I456-V539 HydrophobicContact CD1-CG1 3.52Å; I477-V539 HydrophobicContact CD1-CG1 4.37Å; I477-V539 HydrophobicContact CG2-CG2 4.4Å; I479-V539 HydrophobicContact CD1-CG2 4.33Å; V535-V539 HydrophobicContact CG1-CG2 4.46Å; V535-V539 WeakPolarHBondContact O-CB 3.26Å; V535-V539 VanDerWaalsContact O-CG2 3.32Å; V535-V539 WeakPolarHBondContact O-CG2 3.26Å; V535-V539 PolarHBondContact O-N 2.71Å; K536-V539 PolarHBondContact O-N 3.26Å; V539-L541 VanDerWaalsContact C-N 3.31Å; V539-L541 PolarHBondContact O-N 3.06Å; V539-H542 PolarHBondContact O-N 2.94Å; V539-S543 VanDerWaalsContact O-CB 3.26Å; V539-S543 WeakPolarHBondContact O-CB 3.47Å; V539-S543 PolarHBondContact O-N 2.92Å
540	Q	92.8	Very high	93.7	Very high	127 Å²	127	43 Å²	43	59%	0.593	24%	0.235	S	C	*	.	H	α-helix	trans	-64.3	-32.8	177.8	-177.6	58	71.5	0	0	113.3	K536 N537 Y538 S543	K536-Q540 VanDerWaalsContact O-CB 3.25Å; K536-Q540 WeakPolarHBondContact O-CB 3.38Å; K536-Q540 PolarHBondContact O-N 3.13Å; N537-Q540 PolarHBondContact O-N 2.89Å; Y538-Q540 VanDerWaalsContact C-N 3.34Å; Y538-Q540 PolarHBondContact O-N 3.36Å; Q540-S543 PolarHBondContact O-OG 2.89Å
541	L	90.3	Very high	93.4	Very high	79 Å²	79	42 Å²	42	41%	0.414	23%	0.233	S	C	.	.	H	α-helix	trans	-77	-32.2	177.6	177.7	58.4	0	0	0	112.9	S132 L133 N537 Y538 V539	S132-L541 VanDerWaalsContact O-CD1 3.25Å; S132-L541 WeakPolarHBondContact O-CD1 3.4Å; L133-L541 HydrophobicContact CD2-CD1 4.38Å; N537-L541 WeakPolarHBondContact O-CB 3.34Å; N537-L541 PolarHBondContact O-N 2.83Å; Y538-L541 PolarHBondContact O-N 2.98Å; V539-L541 VanDerWaalsContact C-N 3.31Å; V539-L541 PolarHBondContact O-N 3.06Å
542	H	92.9	Very high	92.9	Very high	33 Å²	33	45.4 Å²	45.4	15%	0.153	26%	0.261	C	S	.	.	H	α-helix	trans	-112.8	8.1	-170.7	-65.6	-70.9	0	0	0	114.8	R367 I477 Y538 V539	R367-H542 WeakPolarHBondContact CD-O 3.49Å; R367-H542 PolarHBondContact NH1-O 3.49Å; I477-H542 HydrophobicContact CD1-CB 4.41Å; Y538-H542 AromaticContact CD1-CD2 3.87Å; Y538-H542 AromaticContact CD2-CD2 3.62Å; Y538-H542 AromaticContact CD2-NE2 3.88Å; Y538-H542 HydrophobicContact CE1-CB 4.3Å; Y538-H542 AromaticContact CE1-CD2 3.54Å; Y538-H542 AromaticContact CE2-CD2 3.27Å; Y538-H542 WeakPolarHBondContact CE2-CD2 3.27Å; Y538-H542 AromaticContact CE2-NE2 3.3Å; Y538-H542 VanDerWaalsContact CE2-NE2 3.3Å; Y538-H542 WeakPolarHBondContact CE2-NE2 3.04Å; Y538-H542 AromaticContact CG-CD2 3.89Å; Y538-H542 AromaticContact CZ-CD2 3.21Å; Y538-H542 AromaticContact CZ-CG 3.95Å; Y538-H542 AromaticContact CZ-NE2 3.56Å; Y538-H542 PolarHBondContact O-CD2 2.89Å; Y538-H542 VanDerWaalsContact O-CD2 3.29Å; Y538-H542 PolarHBondContact O-N 3.44Å; V539-H542 PolarHBondContact O-N 2.94Å
543	S	92.5	Very high	92.4	Very high	31 Å²	31	46.2 Å²	46.2	22%	0.217	27%	0.265	C	S	.	.	S	Bend	trans	-67	-38.8	-179.5	53.2	0	0	0	0	113.8	V539 Q540	V539-S543 VanDerWaalsContact O-CB 3.26Å; V539-S543 WeakPolarHBondContact O-CB 3.47Å; V539-S543 PolarHBondContact O-N 2.92Å; Q540-S543 PolarHBondContact O-OG 2.89Å
544	G	88.6	Confident	91.5	Very high	29 Å²	29	43.1 Å²	43.1	30%	0.299	25%	0.252	S	S	.	.	S	Bend	trans	139.6	-164.7	-178.3	0	0	0	0	0	112.6	V546	G544-V546 VanDerWaalsContact C-N 3.33Å
545	P	90.1	Very high	90.6	Very high	91 Å²	91	46.1 Å²	46.1	59%	0.591	27%	0.268	S	S	*	.	S	Bend	cis	-74.3	-18.2	-1.9	31.1	-35.8	0	0	0	113.2	T362 I363	T362-P545 CarbonylContact C-O 3.54Å; T362-P545 WeakPolarHBondContact CA-O 3.43Å; I363-P545 WeakPolarHBondContact CG1-O 3.48Å; I363-P545 PolarHBondContact N-O 2.95Å
546	V	91.6	Very high	89.5	Confident	22 Å²	22	48.1 Å²	48.1	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.7	174.1	-173.1	0	0	0	0	109.8	V134 P360 V361 G544 L562	V134-V546 HydrophobicContact CG1-CB 3.66Å; V134-V546 HydrophobicContact CG1-CG1 4.16Å; V134-V546 HydrophobicContact CG1-CG2 3.79Å; V134-V546 HydrophobicContact CG2-CB 4.12Å; P360-V546 HydrophobicContact CB-CG1 3.93Å; V361-V546 CarbonylContact O-C 3.51Å; V361-V546 WeakPolarHBondContact O-CA 3.46Å; G544-V546 VanDerWaalsContact C-N 3.33Å; V546-L562 HydrophobicContact CB-CD1 4.38Å; V546-L562 HydrophobicContact CG1-CD1 3.76Å; V546-L562 HydrophobicContact CG2-CD1 3.66Å
547	I	93.3	Very high	88	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	166.8	-178.4	63.8	157.2	0	0	0	111.7	P360 V361 I363 F475 V549	P360-I547 WeakPolarHBondContact CA-O 3.29Å; V361-I547 HydrophobicContact CB-CG1 4.37Å; V361-I547 HydrophobicContact CG1-CG1 4.41Å; V361-I547 PolarHBondContact N-O 3.42Å; V361-I547 PolarHBondContact O-N 2.92Å; I363-I547 HydrophobicContact CD1-CD1 4.17Å; I363-I547 HydrophobicContact CD1-CG1 4.38Å; I363-I547 HydrophobicContact CD1-CG2 3.68Å; I363-I547 HydrophobicContact CG1-CG1 4.41Å; I363-I547 HydrophobicContact CG1-CG2 4.07Å; I363-I547 HydrophobicContact CG2-CD1 3.72Å; I363-I547 HydrophobicContact CG2-CG1 3.97Å; F475-I547 HydrophobicContact CB-CD1 4.06Å; F475-I547 HydrophobicContact CD2-CD1 3.73Å; F475-I547 HydrophobicContact CG-CD1 4.1Å; I547-V549 HydrophobicContact CD1-CG1 3.61Å; I547-V549 HydrophobicContact CG1-CG1 4.09Å
548	W	93.1	Very high	86.5	Confident	31 Å²	31	49.9 Å²	49.9	12%	0.117	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	109.4	178.5	-69.8	89.9	0	0	0	109.9	Y87 I114 F137 V358 V359 P360	Y87-W548 HydrophobicContact CD1-CH2 4.27Å; Y87-W548 HydrophobicContact CD1-CZ3 4.43Å; Y87-W548 HydrophobicContact CD2-CH2 4.43Å; Y87-W548 HydrophobicContact CD2-CZ3 4.44Å; Y87-W548 HydrophobicContact CG-CH2 4.07Å; Y87-W548 AromaticContact CG-CZ3 3.93Å; Y87-W548 HydrophobicContact CG-CZ3 3.93Å; I114-W548 HydrophobicContact CD1-CB 3.72Å; I114-W548 HydrophobicContact CD1-CD2 4.45Å; I114-W548 HydrophobicContact CD1-CG 3.82Å; I114-W548 HydrophobicContact CG1-CB 4.2Å; I114-W548 HydrophobicContact CG1-CD2 4.37Å; I114-W548 HydrophobicContact CG1-CG 3.79Å; I114-W548 HydrophobicContact CG2-CD2 3.81Å; I114-W548 HydrophobicContact CG2-CE3 4.12Å; I114-W548 HydrophobicContact CG2-CG 4.15Å; F137-W548 HydrophobicContact CD1-CH2 4.16Å; F137-W548 HydrophobicContact CD1-CZ2 4.12Å; F137-W548 HydrophobicContact CD2-CZ2 4.27Å; F137-W548 AromaticContact CE1-CH2 3.25Å; F137-W548 HydrophobicContact CE1-CH2 3.25Å; F137-W548 AromaticContact CE1-CZ2 3.3Å; F137-W548 HydrophobicContact CE1-CZ2 3.3Å; F137-W548 HydrophobicContact CE1-CZ3 4.47Å; F137-W548 HydrophobicContact CE2-CH2 4.31Å; F137-W548 AromaticContact CE2-CZ2 3.49Å; F137-W548 HydrophobicContact CE2-CZ2 3.49Å; F137-W548 VanDerWaalsContact CE2-CZ2 3.49Å; F137-W548 AromaticContact CZ-CE2 3.85Å; F137-W548 AromaticContact CZ-CH2 3.39Å; F137-W548 HydrophobicContact CZ-CH2 3.39Å; F137-W548 AromaticContact CZ-CZ2 2.96Å; F137-W548 HydrophobicContact CZ-CZ2 2.96Å; V358-W548 HydrophobicContact CB-CE3 3.95Å; V358-W548 HydrophobicContact CG2-CD2 4.48Å; V358-W548 HydrophobicContact CG2-CE3 3.54Å; V358-W548 HydrophobicContact CG2-CZ3 4.18Å; V359-W548 VanDerWaalsContact C-CZ3 3.45Å; P360-W548 HydrophobicContact CB-CH2 3.54Å; P360-W548 HydrophobicContact CB-CZ2 3.66Å; P360-W548 HydrophobicContact CB-CZ3 4.2Å; P360-W548 VanDerWaalsContact CD-CH2 3.44Å; P360-W548 HydrophobicContact CG-CH2 3.71Å; P360-W548 HydrophobicContact CG-CZ2 4.31Å; P360-W548 HydrophobicContact CG-CZ3 4.29Å
549	V	92.4	Very high	84.9	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	150.5	175.7	-55.2	0	0	0	0	110.3	V358 V359 V361 F475 I547 S551	V358-V549 CarbonylContact C-O 3.51Å; V358-V549 WeakPolarHBondContact CA-O 3.22Å; V358-V549 WeakPolarHBondContact CB-O 3.36Å; V359-V549 HydrophobicContact CG2-CG2 3.94Å; V359-V549 PolarHBondContact N-O 3.07Å; V359-V549 PolarHBondContact O-N 3.18Å; V361-V549 HydrophobicContact CB-CG1 4.35Å; V361-V549 HydrophobicContact CB-CG2 4.21Å; V361-V549 HydrophobicContact CG2-CG2 3.54Å; F475-V549 HydrophobicContact CD1-CB 4.45Å; F475-V549 HydrophobicContact CD1-CG1 3.87Å; F475-V549 HydrophobicContact CD2-CG1 3.86Å; F475-V549 HydrophobicContact CE1-CB 4.2Å; F475-V549 HydrophobicContact CE1-CG1 3.86Å; F475-V549 HydrophobicContact CE2-CG1 3.85Å; F475-V549 HydrophobicContact CG-CG1 3.87Å; F475-V549 HydrophobicContact CZ-CB 4.41Å; F475-V549 HydrophobicContact CZ-CG1 3.85Å; I547-V549 HydrophobicContact CD1-CG1 3.61Å; I547-V549 HydrophobicContact CG1-CG1 4.09Å; V549-S551 PolarHBondContact O-N 3.01Å
550	P	92.2	Very high	83.3	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.039	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	136.1	168.3	-23.5	33.3	0	0	0	111.1	L357 A552 L553	L357-P550 CarbonylContact O-C 3.6Å; L357-P550 WeakPolarHBondContact O-CA 3.47Å; P550-A552 PolarHBondContact O-N 3.26Å; P550-A552 VanDerWaalsContact O-N 3.13Å; P550-L553 HydrophobicContact CB-CD1 4.49Å; P550-L553 HydrophobicContact CB-CG 4.33Å; P550-L553 HydrophobicContact CG-CD1 4.2Å; P550-L553 PolarHBondContact O-N 3.04Å
551	S	89	Confident	81.8	Confident	46 Å²	46	52 Å²	52	32%	0.322	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-58.9	-30	-176.1	-179.4	0	0	0	0	112.6	L357 V549 L553 S554	L357-S551 WeakPolarHBondContact O-CB 3.33Å; L357-S551 PolarHBondContact O-N 3.19Å; V549-S551 PolarHBondContact O-N 3.01Å; S551-L553 PolarHBondContact O-N 3.12Å; S551-S554 VanDerWaalsContact O-CB 3.24Å; S551-S554 WeakPolarHBondContact O-CB 3.34Å; S551-S554 PolarHBondContact O-N 3.41Å; S551-S554 PolarHBondContact O-OG 2.86Å
552	A	86.7	Confident	80.4	Confident	70 Å²	70	53 Å²	53	58%	0.579	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-64.4	-21.2	173.2	0	0	0	0	0	114.4	P550	P550-A552 PolarHBondContact O-N 3.26Å; P550-A552 VanDerWaalsContact O-N 3.13Å
553	L	85.6	Confident	78.8	Confident	40 Å²	40	53.4 Å²	53.4	21%	0.209	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-98.9	1.9	177.7	-54.6	-175.6	0	0	0	112.7	E470 F475 P550 S551 T555 L556	E470-L553 HydrophobicContact CB-CD1 4.14Å; F475-L553 HydrophobicContact CE1-CB 4.12Å; F475-L553 HydrophobicContact CE1-CD1 3.91Å; P550-L553 HydrophobicContact CB-CD1 4.49Å; P550-L553 HydrophobicContact CB-CG 4.33Å; P550-L553 HydrophobicContact CG-CD1 4.2Å; P550-L553 PolarHBondContact O-N 3.04Å; S551-L553 PolarHBondContact O-N 3.12Å; L553-T555 PolarHBondContact O-N 2.84Å; L553-T555 VanDerWaalsContact O-N 3.12Å; L553-L556 HydrophobicContact CB-CD1 4.02Å; L553-L556 HydrophobicContact CB-CG 4.46Å; L553-L556 HydrophobicContact CD2-CD1 4.28Å; L553-L556 PolarHBondContact O-N 2.76Å
554	S	78	Confident	76.3	Confident	33 Å²	33	58.1 Å²	58.1	23%	0.231	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.5	-178	66.9	0	0	0	0	115	S551 V559	S551-S554 VanDerWaalsContact O-CB 3.24Å; S551-S554 WeakPolarHBondContact O-CB 3.34Å; S551-S554 PolarHBondContact O-N 3.41Å; S551-S554 PolarHBondContact O-OG 2.86Å; S554-V559 WeakPolarHBondContact O-CG1 3.26Å
555	T	75.5	Confident	74	Confident	117 Å²	117	60.5 Å²	60.5	72%	0.718	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	4.4	-178.9	52.1	0	0	0	0	113.8	L553	L553-T555 PolarHBondContact O-N 2.84Å; L553-T555 VanDerWaalsContact O-N 3.12Å
556	L	74.5	Confident	71.3	Confident	42 Å²	42	61.2 Å²	61.2	22%	0.22	39%	0.391	C	S	.	.	S	Bend	trans	-65.1	146.8	177.8	-71.4	176.6	0	0	0	111.9	E470 F475 L553 G558 V559	E470-L556 WeakPolarHBondContact O-CD1 3.47Å; F475-L556 HydrophobicContact CE1-CD1 4.33Å; F475-L556 HydrophobicContact CZ-CD1 4.12Å; L553-L556 HydrophobicContact CB-CD1 4.02Å; L553-L556 HydrophobicContact CB-CG 4.46Å; L553-L556 HydrophobicContact CD2-CD1 4.28Å; L553-L556 PolarHBondContact O-N 2.76Å; L556-G558 PolarHBondContact O-N 3.41Å; L556-V559 HydrophobicContact CB-CG2 3.88Å; L556-V559 VanDerWaalsContact O-CB 3.27Å; L556-V559 WeakPolarHBondContact O-CB 3.37Å; L556-V559 PolarHBondContact O-N 2.63Å; L556-V559 VanDerWaalsContact O-N 3.12Å
557	P	65.9	Low	68.6	Low	125 Å²	125	69.3 Å²	69.3	81%	0.812	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	133.3	175.2	-26.1	35.5	0	0	0	112.5	V559	P557-V559 VanDerWaalsContact C-N 3.33Å
558	G	61.1	Low	65.6	Low	80 Å²	80	75.6 Å²	75.6	83%	0.825	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-9.1	-177.3	0	0	0	0	0	115.3	L556 Q560	L556-G558 PolarHBondContact O-N 3.41Å; G558-Q560 PolarHBondContact O-N 3.05Å
559	V	62.2	Low	62.6	Low	24 Å²	24	81.3 Å²	81.3	15%	0.145	49%	0.488	C	S	.	.			trans	-82.9	112.9	177.4	171.6	0	0	0	0	110.9	V361 F475 S554 L556 P557	V361-V559 HydrophobicContact CB-CG1 4.24Å; V361-V559 HydrophobicContact CG1-CB 4.47Å; V361-V559 HydrophobicContact CG1-CG1 3.73Å; V361-V559 HydrophobicContact CG2-CG1 3.43Å; V361-V559 VanDerWaalsContact CG2-CG1 3.43Å; F475-V559 HydrophobicContact CE2-CG2 3.9Å; F475-V559 HydrophobicContact CZ-CG2 3.88Å; S554-V559 WeakPolarHBondContact O-CG1 3.26Å; L556-V559 HydrophobicContact CB-CG2 3.88Å; L556-V559 VanDerWaalsContact O-CB 3.27Å; L556-V559 WeakPolarHBondContact O-CB 3.37Å; L556-V559 PolarHBondContact O-N 2.63Å; L556-V559 VanDerWaalsContact O-N 3.12Å; P557-V559 VanDerWaalsContact C-N 3.33Å
560	Q	60.9	Low	59.6	Low	142 Å²	142	89.2 Å²	89.2	66%	0.664	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	103.8	170.9	-69.1	-170.9	-3.2	0	0	110.3	V361 T362 G558	V361-Q560 WeakPolarHBondContact CA-O 3.43Å; T362-Q560 PolarHBondContact N-O 3.5Å; G558-Q560 PolarHBondContact O-N 3.05Å
561	C	61.6	Low	56.5	Low	48 Å²	48	97.3 Å²	97.3	32%	0.324	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	131.8	175.1	-173.1	0	0	0	0	111.3	P360 V361 T563	P360-C561 WeakPolarHBondContact O-CA 3.39Å; P360-C561 PolarHBondContact O-SG 2.93Å; P360-C561 VanDerWaalsContact O-SG 3.33Å; V361-C561 HydrophobicContact CG2-CB 4.29Å; C561-T563 PolarHBondContact SG-OG1 3.31Å; C561-T563 VanDerWaalsContact SG-OG1 3.38Å
562	L	61.5	Low	53.7	Low	100 Å²	100	100 Å²	100	52%	0.524	57%	0.572	S	S	.	*			trans	-84.2	-10.5	-177.1	-68.9	179.2	0	0	0	114.2	P360 T362 V546	P360-L562 HydrophobicContact CB-CB 4.33Å; P360-L562 HydrophobicContact CG-CB 4.18Å; P360-L562 PolarHBondContact O-N 3.2Å; T362-L562 WeakPolarHBondContact OG1-CD2 3.46Å; V546-L562 HydrophobicContact CB-CD1 4.38Å; V546-L562 HydrophobicContact CG1-CD1 3.76Å; V546-L562 HydrophobicContact CG2-CD1 3.66Å
563	T	58.3	Low	51	Low	41 Å²	41	102.3 Å²	102.3	25%	0.252	58%	0.582	S	S	.	*			trans	-106.6	127.3	-179.9	47.4	0	0	0	0	112	P360 C561 T565	P360-T563 HydrophobicContact CG-CG2 3.59Å; C561-T563 PolarHBondContact SG-OG1 3.31Å; C561-T563 VanDerWaalsContact SG-OG1 3.38Å; T563-T565 PolarHBondContact O-N 3.1Å
564	S	40.9	Very low	48.4	Very low	129 Å²	129	107.4 Å²	107.4	90%	0.902	61%	0.608	S	S	*	*			trans	-71.7	48	164.4	47.9	0	0	0	0	112.4
565	T	40	Very low	46.3	Very low	80 Å²	80	111.7 Å²	111.7	49%	0.491	63%	0.633	S	S	.	*			trans	-59.8	130.3	170.1	41.9	0	0	0	0	109.5	T563 K567	T563-T565 PolarHBondContact O-N 3.1Å; T565-K567 PolarHBondContact O-N 2.92Å
566	P	33.8	Very low	44.1	Very low	105 Å²	105	112.8 Å²	112.8	68%	0.682	63%	0.634	S	S	*	*			trans	-61.5	129.4	179.1	25.1	-33.5	0	0	0	110	M568	P566-M568 PolarHBondContact O-N 2.72Å
567	K	33.9	Very low	42.2	Very low	192 Å²	192	118.2 Å²	118.2	84%	0.835	66%	0.662	S	S	*	*			trans	-64.1	97.2	174.3	-71.4	-174.6	177.6	-176.8	0	109.3	T565 N569	T565-K567 PolarHBondContact O-N 2.92Å; K567-N569 PolarHBondContact O-N 3.1Å
568	M	31.5	Very low	40.7	Very low	135 Å²	135	121.1 Å²	121.1	67%	0.665	67%	0.667	S	S	*	*			trans	-70.7	105.5	166.9	-76.6	-68.8	-179.8	0	0	108.3	P566 Y570	P566-M568 PolarHBondContact O-N 2.72Å; M568-Y570 HydrophobicContact CB-CD2 4.3Å; M568-Y570 HydrophobicContact CB-CE2 3.8Å; M568-Y570 WeakPolarHBondContact O-CD2 3.46Å; M568-Y570 PolarHBondContact O-N 2.96Å
569	N	28.7	Very low	39.5	Very low	152 Å²	152	124.3 Å²	124.3	81%	0.813	67%	0.666	S	S	*	*			trans	-69.1	98.6	170.3	-76	-4.5	0	0	0	108.7	K567 H571	K567-N569 PolarHBondContact O-N 3.1Å; N569-H571 PolarHBondContact O-N 3.19Å
570	Y	29.3	Very low	38.3	Very low	166 Å²	166	131.9 Å²	131.9	65%	0.651	70%	0.699	S	S	*	*			trans	-78	101.1	173.9	-67.9	-84.6	0	0	0	110.1	P58 M568	P58-Y570 HydrophobicContact CB-CE1 4.37Å; P58-Y570 HydrophobicContact CG-CE1 4.44Å; M568-Y570 HydrophobicContact CB-CD2 4.3Å; M568-Y570 HydrophobicContact CB-CE2 3.8Å; M568-Y570 WeakPolarHBondContact O-CD2 3.46Å; M568-Y570 PolarHBondContact O-N 2.96Å
571	H	27.8	Very low	37	Very low	176 Å²	176	130.7 Å²	130.7	82%	0.815	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-73.6	133.9	152.3	-107.6	-88.8	0	0	0	108.5	N569	N569-H571 PolarHBondContact O-N 3.19Å
572	P	30.3	Very low	35.8	Very low	102 Å²	102	137.8 Å²	137.8	66%	0.662	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-65.3	144.4	170.7	28.2	-33.7	0	0	0	109.8	I574	P572-I574 PolarHBondContact O-N 3.04Å
573	P	30.7	Very low	34.6	Very low	120 Å²	120	141.2 Å²	141.2	78%	0.779	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-62.9	130.3	173.7	-18.4	31	0	0	0	110.3	T575	P573-T575 PolarHBondContact O-N 3.29Å
574	I	30.2	Very low	33.6	Very low	147 Å²	147	146 Å²	146	75%	0.754	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-66.8	123.1	167.7	-62.7	174.1	0	0	0	107.3	P572 D576	P572-I574 PolarHBondContact O-N 3.04Å; I574-D576 PolarHBondContact O-N 3Å
575	T	33.2	Very low	33.5	Very low	123 Å²	123	145.1 Å²	145.1	76%	0.755	76%	0.758	S	S	*	*			trans	-83.6	86.1	175.2	50.7	0	0	0	0	109.7	P573 L577	P573-T575 PolarHBondContact O-N 3.29Å; T575-L577 PolarHBondContact O-N 2.95Å
576	D	30.5	Very low	33.3	Very low	139 Å²	139	147.8 Å²	147.8	74%	0.743	77%	0.769	S	S	*	*			trans	-63.1	107.5	174.3	-77.1	-31.2	0	0	0	111	I574 M578	I574-D576 PolarHBondContact O-N 3Å; D576-M578 PolarHBondContact O-N 2.98Å
577	L	34.5	Very low	33.5	Very low	156 Å²	156	150 Å²	150	82%	0.817	78%	0.775	S	S	*	*			trans	-72.9	91.3	171	-88	152.2	0	0	0	109.6	T575 N579	T575-L577 PolarHBondContact O-N 2.95Å; L577-N579 VanDerWaalsContact C-N 3.27Å; L577-N579 PolarHBondContact O-N 3.31Å
578	M	33.7	Very low	33.5	Very low	186 Å²	186	148 Å²	148	92%	0.916	77%	0.774	S	S	*	*			trans	-65.3	85.7	166.8	-79	-164.2	164.1	0	0	111	D576	D576-M578 PolarHBondContact O-N 2.98Å
579	N	36.7	Very low	33.7	Very low	148 Å²	148	148.1 Å²	148.1	79%	0.791	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-79.5	143.4	160.4	-94.2	-24.3	0	0	0	110.2	L577	L577-N579 VanDerWaalsContact C-N 3.27Å; L577-N579 PolarHBondContact O-N 3.31Å
580	H	35.9	Very low	33.9	Very low	183 Å²	183	148.5 Å²	148.5	85%	0.847	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-67	149.2	177.4	-82.7	-81.9	0	0	0	112.3
581	P	34.9	Very low	34.1	Very low	116 Å²	116	147 Å²	147	75%	0.753	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-83.6	148.6	-167.2	32.9	-36.8	0	0	0	114.3
582	Q	36.2	Very low	34.3	Very low	197 Å²	197	145 Å²	145	92%	0.921	79%	0.793	S	S	*	*			trans	-138.3	161.6	158.9	-76.1	-157.1	-11.8	0	0	111.9
583	H	35.7	Very low	34.4	Very low	173 Å²	173	146.3 Å²	146.3	80%	0.801	80%	0.799	S	S	*	*			trans	-70.2	132.3	-170.7	-89.5	-109.8	0	0	0	115.3
584	N	36.5	Very low	34.4	Very low	141 Å²	141	146 Å²	146	75%	0.754	80%	0.795	S	S	*	*				164.2	120.7	119.1	-85.4	-27.7	0	0	0	110.2
585	V	40	Very low	34.5	Very low	111 Å²	111	149.6 Å²	149.6	67%	0.673	80%	0.801	S	S	*	*				73.4	98.8	78.1	177.1	0	0	0	0	113.8
586	N	35.6	Very low	34.4	Very low	135 Å²	135	150.2 Å²	150.2	72%	0.722	80%	0.799	S	S	*	*			trans	44.3	116.7	146.6	-53.6	-3.4	0	0	0	120.8
587	N	38	Very low	34.7	Very low	153 Å²	153	150.7 Å²	150.7	82%	0.818	80%	0.802	S	S	*	*				-176.2	166.5	88.4	-101.5	-41.1	0	0	0	115.2
588	N	33.4	Very low	34.7	Very low	150 Å²	150	149.5 Å²	149.5	80%	0.802	80%	0.797	S	S	*	*			trans	-72.5	151.9	-176.4	-56.5	-49.8	0	0	0	114.7
589	T	37	Very low	34.8	Very low	137 Å²	137	148.4 Å²	148.4	84%	0.84	79%	0.793	S	S	*	*				-161.6	135.8	118.8	24.1	0	0	0	0	110.7
590	N	32.5	Very low	34.7	Very low	160 Å²	160	146.2 Å²	146.2	86%	0.856	79%	0.789	S	S	*	*			trans	-99.7	137.6	170.5	-77.5	-21	0	0	0	110.4
591	T	33.3	Very low	34.7	Very low	135 Å²	135	142 Å²	142	83%	0.828	79%	0.786	S	S	*	*			trans	-138.7	115	164.1	50.7	0	0	0	0	110.2
592	T	31.2	Very low	34.6	Very low	133 Å²	133	145 Å²	145	82%	0.816	80%	0.795	S	S	*	*			trans	-98.4	126.2	178.4	-49.3	0	0	0	0	110
593	T	33.7	Very low	34.5	Very low	129 Å²	129	144 Å²	144	79%	0.791	79%	0.79	S	S	*	*			trans	-126.6	115.5	172.9	43.1	0	0	0	0	111.4
594	T	30.6	Very low	34.4	Very low	114 Å²	114	140.7 Å²	140.7	70%	0.699	79%	0.786	S	S	*	*			trans	-76.3	139.4	177.3	-46.6	0	0	0	0	111.3
595	Y	32	Very low	34.3	Very low	223 Å²	223	142 Å²	142	88%	0.875	79%	0.792	S	S	*	*			trans	-133.2	109.5	161	-104.5	-87.1	0	0	0	110.6
596	N	31.1	Very low	33.8	Very low	135 Å²	135	142 Å²	142	72%	0.722	80%	0.798	S	S	*	*			trans	-106.8	142.8	165.4	-88	-20.5	0	0	0	108.5
597	N	36.1	Very low	33.9	Very low	149 Å²	149	142.3 Å²	142.3	80%	0.797	80%	0.798	S	S	*	*			trans	147.5	143.7	159.2	-84.5	-34.7	0	0	0	107.9
598	N	33.7	Very low	33.6	Very low	132 Å²	132	144.3 Å²	144.3	71%	0.706	80%	0.802	S	S	*	*			cis	172	-176.1	-20.1	-118.6	-43	0	0	0	103.9
599	I	36.8	Very low	33.7	Very low	162 Å²	162	141.7 Å²	141.7	83%	0.831	80%	0.796	S	S	*	*			trans	77.9	134.7	179.2	-48.2	166.6	0	0	0	113.5
600	S	35.3	Very low	33.8	Very low	103 Å²	103	141.9 Å²	141.9	72%	0.72	80%	0.796	S	S	*	*				178	137.6	-51.1	-93.4	0	0	0	0	108.4
601	A	35.3	Very low	33.8	Very low	95 Å²	95	141.7 Å²	141.7	79%	0.785	80%	0.795	S	S	*	*			trans	39.5	117.3	155.7	0	0	0	0	0	120.6
602	L	33.8	Very low	34.1	Very low	179 Å²	179	141.1 Å²	141.1	94%	0.937	80%	0.797	S	S	*	*				-142.6	126.7	122.2	-101.3	177.4	0	0	0	108.8
603	Q	34	Very low	34.3	Very low	176 Å²	176	141.8 Å²	141.8	82%	0.822	80%	0.801	S	S	*	*			trans	-117	157.6	176.8	-78	-175.7	-63.4	0	0	110.9
604	S	31.8	Very low	34.7	Very low	103 Å²	103	148.5 Å²	148.5	72%	0.72	82%	0.823	S	S	*	*			trans	47.9	108.9	151.2	60.3	0	0	0	0	119.2
605	L	34.4	Very low	34.9	Very low	168 Å²	168	150.2 Å²	150.2	88%	0.88	83%	0.829	S	S	*	*			trans	-130.9	103.1	134.5	-87.1	179.7	0	0	0	109.9
606	S	31.2	Very low	35	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	83%	0.827	S	S	*	*			trans	-95.1	124.9	165.1	52.8	0	0	0	0	109
607	I	37.3	Very low	35.2	Very low	141 Å²	141	147 Å²	147	72%	0.723	83%	0.833	S	S	*	*			trans	-121.8	110.1	171.4	-61	-179.8	0	0	0	108.7
608	Q	30.7	Very low	35.2	Very low	195 Å²	195	146.9 Å²	146.9	91%	0.911	84%	0.835	S	S	*	*			trans	-94.9	132.7	157.8	-70.1	178.6	-27.3	0	0	107.7
609	S	36.8	Very low	35.3	Very low	95 Å²	95	147.8 Å²	147.8	66%	0.664	84%	0.843	S	S	*	*			trans	-150.6	96.2	166.2	60.9	0	0	0	0	111.8
610	V	38.2	Very low	35.2	Very low	140 Å²	140	146.9 Å²	146.9	85%	0.848	84%	0.844	S	S	*	*			trans	41.8	122.8	150.2	-76.7	0	0	0	0	120.9
611	N	33.5	Very low	35.2	Very low	157 Å²	157	150 Å²	150	84%	0.84	85%	0.852	S	S	*	*			trans	-59.6	147.1	147.6	-64.3	-29	0	0	0	110.5
612	S	37.8	Very low	35.1	Very low	123 Å²	123	154.2 Å²	154.2	86%	0.86	86%	0.858	S	S	*	*			trans	-159.3	142.6	143.8	-81.9	0	0	0	0	109.8
613	T	36.5	Very low	35.3	Very low	147 Å²	147	152.2 Å²	152.2	90%	0.902	85%	0.851	S	S	*	*			trans	-95.1	134.1	-172.3	48.8	0	0	0	0	112.8
614	Q	41	Very low	35.4	Very low	269 Å²	269	150 Å²	150	100%	1.257	85%	0.854	S	S	*	*			trans	-152	0	130.8	-161.9	159.6	52	0	0	110.4

Retrieved 614 of 614 residues in 644.7 ms (Link to these results)

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