A0A087XWX7_POEFO Loading...

DDB1- and CUL4-associated factor 11

May function as a substrate receptor for CUL4-DDB1 E3 ubiquitin-protein ligase complex.

AlphaFold DB , UniProt , Accession A0A087XWX7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 554 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	27.4	Very low	248 Å²	248	130.5 Å²	130.5	100%	1.222	83%	0.83	S	S	*	*				0	127.8	0	-74.2	176.8	169.1	0	0	107.1
2	G	31.2	Very low	27.4	Very low	76 Å²	76	125.3 Å²	125.3	78%	0.784	82%	0.82	S	S	*	*			trans	65.6	158.1	-172.8	0	0	0	0	0	114
3	S	27.8	Very low	27.6	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	83%	0.833	S	S	*	*			cis	-163.4	140.3	-20.4	36.9	0	0	0	0	106.2
4	Q	27.6	Very low	27.6	Very low	188 Å²	188	130.6 Å²	130.6	88%	0.879	82%	0.819	S	S	*	*				40.3	135.7	90.6	-66.3	-176	-3.2	0	0	113.7
5	S	27.2	Very low	27.8	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	82%	0.824	S	S	*	*			cis	-165.7	133	13.8	40.2	0	0	0	0	109.2
6	S	26	Very low	28	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	82%	0.821	S	S	*	*				66	143.6	95.2	88.5	0	0	0	0	119.7
7	S	27	Very low	28.3	Very low	118 Å²	118	128.2 Å²	128.2	83%	0.825	82%	0.819	S	S	*	*			trans	68.7	134.2	143.5	55.7	0	0	0	0	123.5
8	G	24.8	Very low	28.2	Very low	67 Å²	67	124.7 Å²	124.7	69%	0.691	81%	0.811	S	S	*	*			trans	155.4	110.9	161.9	0	0	0	0	0	111.3
9	M	26.4	Very low	28.5	Very low	194 Å²	194	126.8 Å²	126.8	96%	0.956	82%	0.815	S	S	*	*				75.5	138.5	73.7	-76.2	-173.7	172.6	0	0	114
10	S	25.7	Very low	29.6	Very low	99 Å²	99	126.4 Å²	126.4	69%	0.692	81%	0.812	S	S	*	*			cis	-166.2	174.9	0.9	55.6	0	0	0	0	113.3
11	C	26.8	Very low	29.8	Very low	130 Å²	130	124.8 Å²	124.8	88%	0.878	81%	0.81	S	S	*	*			trans	67.2	150.3	156.2	-63.4	0	0	0	0	120.8
12	G	27.2	Very low	29.7	Very low	69 Å²	69	120.4 Å²	120.4	71%	0.711	79%	0.792	S	S	*	*			cis	157.1	136.6	-17.6	0	0	0	0	0	117.4
13	R	29.9	Very low	29.8	Very low	262 Å²	262	125 Å²	125	99%	0.989	79%	0.793	S	S	*	*			trans	65.4	148.8	158.9	-59	179.9	175.7	-175.2	-2.4	119.1
14	G	27.8	Very low	29.8	Very low	62 Å²	62	125.3 Å²	125.3	64%	0.639	80%	0.795	S	S	*	*			cis	159.1	177	-9.5	0	0	0	0	0	115
15	S	30.8	Very low	30	Very low	128 Å²	128	125 Å²	125	90%	0.895	79%	0.793	S	S	*	*			trans	63.1	147.2	167.2	36.6	0	0	0	0	119.1
16	S	31.1	Very low	30.1	Very low	110 Å²	110	124.7 Å²	124.7	77%	0.769	80%	0.797	S	S	*	*			cis	-159	-172.3	-13.2	59.3	0	0	0	0	107.5
17	S	32.7	Very low	30.2	Very low	114 Å²	114	124.6 Å²	124.6	80%	0.797	80%	0.802	S	S	*	*			cis	-158.9	-178.4	4.1	-3.1	0	0	0	0	106.9
18	G	26.9	Very low	30.5	Very low	65 Å²	65	127.9 Å²	127.9	67%	0.67	81%	0.805	S	S	*	*			cis	-177.5	-159.1	9.4	0	0	0	0	0	111.5
19	N	32.5	Very low	31.5	Very low	165 Å²	165	129.8 Å²	129.8	88%	0.882	81%	0.805	S	S	*	*			trans	-131.2	-169.1	-167.5	-71.1	-14.1	0	0	0	110.9
20	P	50.4	Low	31.6	Very low	118 Å²	118	127.6 Å²	127.6	77%	0.766	80%	0.797	S	S	*	*			cis	-146.7	-176	6.5	46	-26.2	0	0	0	119.6
21	A	34	Very low	31.9	Very low	93 Å²	93	130.2 Å²	130.2	77%	0.769	80%	0.798	S	S	*	*			trans	70.5	152	150.3	0	0	0	0	0	119.1
22	D	30.7	Very low	32	Very low	156 Å²	156	131.1 Å²	131.1	83%	0.834	80%	0.795	S	S	*	*			cis	-144.7	-173	29.5	-145.3	-20	0	0	0	115.6
23	Q	31.6	Very low	32.1	Very low	172 Å²	172	135.1 Å²	135.1	80%	0.804	80%	0.795	S	S	*	*			trans	-111.6	171.1	-163.9	-61.9	-178.1	-14.3	0	0	117.2
24	S	29.5	Very low	32.1	Very low	117 Å²	117	130.7 Å²	130.7	82%	0.818	79%	0.791	S	S	*	*			trans	110.1	163.1	140	74.4	0	0	0	0	118.5
25	E	30.9	Very low	32.2	Very low	181 Å²	181	135.4 Å²	135.4	85%	0.846	80%	0.796	S	S	*	*			cis	-168.9	146.8	-47.4	-172.8	167.8	-138.2	0	0	107.7
26	A	29.4	Very low	32.1	Very low	95 Å²	95	134.5 Å²	134.5	79%	0.785	79%	0.79	S	S	*	*			trans	27.3	139.8	164	0	0	0	0	0	124.2
27	A	28.7	Very low	32	Very low	101 Å²	101	136.2 Å²	136.2	84%	0.835	79%	0.79	S	S	*	*				153.1	131.4	118.9	0	0	0	0	0	116.5
28	E	32.1	Very low	31.9	Very low	188 Å²	188	136 Å²	136	88%	0.879	79%	0.789	S	S	*	*			trans	-93.9	177.9	146.9	-73.7	-165.7	150.4	0	0	108.9
29	P	46.7	Very low	32	Very low	106 Å²	106	137.5 Å²	137.5	69%	0.688	79%	0.789	S	S	*	*			cis	-132.1	-169.5	2.1	43.6	-27	0	0	0	113.7
30	N	28.8	Very low	31.9	Very low	148 Å²	148	134.9 Å²	134.9	79%	0.791	78%	0.784	S	S	*	*				170.6	173.5	104.7	-134	-26.4	0	0	0	114.9
31	Q	30.7	Very low	30.9	Very low	154 Å²	154	135 Å²	135	72%	0.72	79%	0.787	S	S	*	*			trans	-96.5	155.3	-175.1	-55.6	172.9	-2.6	0	0	114.8
32	N	29.3	Very low	30.7	Very low	150 Å²	150	138.6 Å²	138.6	80%	0.802	79%	0.793	S	S	*	*			trans	-172.3	117.9	138.4	-93.9	-34	0	0	0	107.9
33	Q	30.2	Very low	30.6	Very low	152 Å²	152	133.9 Å²	133.9	71%	0.71	78%	0.782	S	S	*	*				53.7	115.7	74.2	-68.9	-154.7	25.6	0	0	115.2
34	N	29.1	Very low	30.5	Very low	169 Å²	169	131.7 Å²	131.7	90%	0.904	79%	0.785	S	S	*	*			trans	-150.8	148.2	144.2	-134.4	-18.6	0	0	0	109.6
35	Q	29.3	Very low	30.5	Very low	162 Å²	162	131.8 Å²	131.8	76%	0.757	79%	0.786	S	S	*	*			trans	-121.6	-176.6	-174.5	-69	-171.6	-5.6	0	0	111.8
36	S	30	Very low	30.3	Very low	108 Å²	108	128.4 Å²	128.4	76%	0.755	78%	0.782	S	S	*	*			trans	84.7	147.4	159.8	91.5	0	0	0	0	116.3
37	N	28.8	Very low	30.3	Very low	147 Å²	147	129.5 Å²	129.5	79%	0.786	79%	0.785	S	S	*	*			cis	-165.6	174.3	-17.2	-123.1	-25.4	0	0	0	112.7
38	S	29.7	Very low	30.3	Very low	109 Å²	109	137 Å²	137	76%	0.762	79%	0.791	S	S	*	*			trans	71.4	157	164.7	79.7	0	0	0	0	117
39	S	29.8	Very low	30.1	Very low	96 Å²	96	131.4 Å²	131.4	67%	0.671	78%	0.784	S	S	*	*			cis	-152.2	120.6	0.4	16	0	0	0	0	109.1
40	S	29.6	Very low	29.3	Very low	111 Å²	111	137.1 Å²	137.1	78%	0.776	79%	0.792	S	S	*	*				73	114.7	89.2	77.3	0	0	0	0	117.7
41	S	30.6	Very low	29.3	Very low	119 Å²	119	139.9 Å²	139.9	83%	0.832	79%	0.791	S	S	*	*			trans	153	158	147.4	51.8	0	0	0	0	112.5
42	N	30.2	Very low	29.3	Very low	169 Å²	169	138.8 Å²	138.8	90%	0.904	80%	0.795	S	S	*	*			cis	-160.2	160.3	-46.9	-143.2	-8.4	0	0	0	110.9
43	G	28	Very low	29.3	Very low	58 Å²	58	136 Å²	136	60%	0.598	79%	0.792	S	S	*	*			trans	88.7	134.7	177.9	0	0	0	0	0	113.8
44	S	28.5	Very low	29.3	Very low	125 Å²	125	135.3 Å²	135.3	87%	0.874	79%	0.794	S	S	*	*			cis	72.6	140.2	30	100.5	0	0	0	0	113.9
45	S	29.7	Very low	29.4	Very low	119 Å²	119	137.1 Å²	137.1	83%	0.832	79%	0.788	S	S	*	*			cis	-150.8	-169.8	16.9	65	0	0	0	0	114.5
46	S	27.6	Very low	29.5	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	79%	0.79	S	S	*	*			trans	-98.9	150.5	-156.3	56.8	0	0	0	0	118.5
47	S	29.9	Very low	29.5	Very low	119 Å²	119	140.6 Å²	140.6	83%	0.832	79%	0.792	S	S	*	*			trans	-168.1	135.1	133.4	55.6	0	0	0	0	109.7
48	R	28.7	Very low	29.5	Very low	259 Å²	259	139 Å²	139	98%	0.977	79%	0.793	S	S	*	*			cis	87.3	92.7	30.3	-103.2	-171.2	177.7	-172.6	1.4	117
49	G	27.9	Very low	29.5	Very low	70 Å²	70	140.6 Å²	140.6	72%	0.722	79%	0.793	S	S	*	*			trans	164.2	109.7	161.7	0	0	0	0	0	111.1
50	R	29.9	Very low	29.5	Very low	225 Å²	225	147.9 Å²	147.9	85%	0.849	81%	0.805	S	S	*	*				61.2	132.6	84.3	-78.8	-171.1	173.6	-171.9	0.3	114.1
51	R	28.2	Very low	29.5	Very low	207 Å²	207	151.8 Å²	151.8	78%	0.781	81%	0.812	S	S	*	*			cis	-168.6	-174.3	-9.3	-129.2	179	-172.7	-172.8	-0.1	109.2
52	T	30.8	Very low	29.4	Very low	131 Å²	131	150.7 Å²	150.7	80%	0.804	80%	0.804	S	S	*	*			trans	71.5	122.6	-177.3	64.6	0	0	0	0	114.8
53	A	29.6	Very low	29.5	Very low	90 Å²	90	147 Å²	147	74%	0.744	80%	0.797	S	S	*	*				71	132	54.1	0	0	0	0	0	111.9
54	D	29.6	Very low	29.5	Very low	139 Å²	139	153.6 Å²	153.6	74%	0.743	81%	0.81	S	S	*	*			cis	-142.7	-172.4	30.7	-140.7	-36.2	0	0	0	115.7
55	R	31.6	Very low	30	Very low	207 Å²	207	156.2 Å²	156.2	78%	0.781	81%	0.808	S	S	*	*			trans	-47.3	162	-168.2	-80.9	154.6	165.5	168.3	-6.1	123.8
56	Q	31.1	Very low	30.7	Very low	172 Å²	172	159.2 Å²	159.2	80%	0.804	81%	0.809	S	S	*	*			trans	69.7	117.3	152.2	-76	163.4	-24.8	0	0	117.3
57	Q	29.8	Very low	31.3	Very low	171 Å²	171	161.9 Å²	161.9	80%	0.799	81%	0.814	S	S	*	*			cis	98.2	97.6	29	-169.4	-178.8	5.2	0	0	114
58	S	28.6	Very low	32.5	Very low	113 Å²	113	160.9 Å²	160.9	79%	0.79	80%	0.803	S	S	*	*			trans	-158.2	127.1	155.3	59.8	0	0	0	0	108.3
59	D	30.1	Very low	34.6	Very low	143 Å²	143	153 Å²	153	77%	0.765	78%	0.781	S	S	*	*			trans	-74.1	150.1	-168.1	-61.3	-75.9	0	0	0	114.5
60	R	29.6	Very low	36.3	Very low	248 Å²	248	155.6 Å²	155.6	94%	0.936	78%	0.777	S	S	*	*			trans	-98.1	110.6	161.3	-78.2	-176.7	172.6	-176.5	-3.2	108.6
61	Q	29.2	Very low	37.8	Very low	194 Å²	194	148 Å²	148	91%	0.907	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-77.5	118.1	159.8	-73.5	177.9	-37.2	0	0	108.4
62	S	28.9	Very low	39.3	Very low	96 Å²	96	144.4 Å²	144.4	67%	0.671	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-76	126.8	162.7	48.5	0	0	0	0	108.6
63	A	31.1	Very low	40.9	Very low	92 Å²	92	141.1 Å²	141.1	76%	0.76	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-62.7	138.5	167.2	0	0	0	0	0	109.4
64	F	29.9	Very low	42.1	Very low	196 Å²	196	140 Å²	140	86%	0.86	72%	0.715	S	S	*	*			trans	-86.5	115.8	158.8	-75.8	-96.3	0	0	0	106.4
65	E	37.5	Very low	43.4	Very low	180 Å²	180	135.1 Å²	135.1	84%	0.841	69%	0.694	S	S	*	*			trans	-81.4	128.6	162	-67.1	177.5	135.7	0	0	106.6	D67	E65-D67 PolarHBondContact O-N 2.83Å
66	E	44.1	Very low	44.5	Very low	181 Å²	181	129.2 Å²	129.2	85%	0.846	67%	0.672	S	S	*	*			trans	-80.1	111.2	173.7	-68.5	-176.6	144.2	0	0	108.3	V68	E66-V68 VanDerWaalsContact C-N 3.32Å; E66-V68 PolarHBondContact O-N 3.05Å
67	D	41	Very low	45.6	Very low	166 Å²	166	123.3 Å²	123.3	89%	0.888	65%	0.646	S	S	*	*			trans	-64.9	90.5	172.6	-85.8	-44.7	0	0	0	109.7	E65 D69	E65-D67 PolarHBondContact O-N 2.83Å; D67-D69 PolarHBondContact O-N 3.17Å
68	V	55.2	Low	46.8	Very low	98 Å²	98	118.6 Å²	118.6	59%	0.594	63%	0.626	S	S	*	*			trans	-65.9	115.4	172.5	178.3	0	0	0	0	108.8	E66 L70 V73	E66-V68 VanDerWaalsContact C-N 3.32Å; E66-V68 PolarHBondContact O-N 3.05Å; V68-L70 WeakPolarHBondContact O-CD1 3.23Å; V68-L70 PolarHBondContact O-N 2.8Å; V68-V73 HydrophobicContact CG1-CG2 3.84Å
69	D	73.8	Confident	48	Very low	95 Å²	95	121.3 Å²	121.3	51%	0.508	62%	0.619	S	S	.	*			trans	-68.1	97.8	178	-172.4	-4.4	0	0	0	111.1	D67 A71 E72 V73	D67-D69 PolarHBondContact O-N 3.17Å; D69-A71 PolarHBondContact O-N 2.96Å; D69-A71 VanDerWaalsContact O-N 3.15Å; D69-A71 WeakPolarHBondContact OD1-CA 3.46Å; D69-A71 VanDerWaalsContact OD1-CB 3.23Å; D69-A71 WeakPolarHBondContact OD1-CB 3.43Å; D69-A71 PolarHBondContact OD1-N 3.32Å; D69-E72 HydrophobicContact CB-CB 4.23Å; D69-E72 PolarHBondContact O-N 3.43Å; D69-E72 VanDerWaalsContact O-N 3.1Å; D69-V73 WeakPolarHBondContact O-CG2 3.25Å; D69-V73 PolarHBondContact O-N 3.11Å
70	L	62	Low	48.8	Very low	123 Å²	123	117.2 Å²	117.2	64%	0.644	59%	0.593	S	S	*	*	H	α-helix	trans	-57	-25.3	175.3	-101	70.4	0	0	0	113	V68 L74	V68-L70 WeakPolarHBondContact O-CD1 3.23Å; V68-L70 PolarHBondContact O-N 2.8Å; L70-L74 WeakPolarHBondContact O-CB 3.46Å; L70-L74 WeakPolarHBondContact O-CD1 3.46Å; L70-L74 PolarHBondContact O-N 3.25Å
71	A	63.1	Low	49.5	Very low	66 Å²	66	107 Å²	107	55%	0.545	56%	0.564	S	S	.	*	H	α-helix	trans	-73.4	-39.8	176.5	0	0	0	0	0	111.5	D69 A75	D69-A71 PolarHBondContact O-N 2.96Å; D69-A71 VanDerWaalsContact O-N 3.15Å; D69-A71 WeakPolarHBondContact OD1-CA 3.46Å; D69-A71 VanDerWaalsContact OD1-CB 3.23Å; D69-A71 WeakPolarHBondContact OD1-CB 3.43Å; D69-A71 PolarHBondContact OD1-N 3.32Å; A71-A75 VanDerWaalsContact O-CB 3.22Å; A71-A75 WeakPolarHBondContact O-CB 3.5Å; A71-A75 PolarHBondContact O-N 2.82Å
72	E	59.6	Low	50.4	Low	132 Å²	132	101.4 Å²	101.4	62%	0.617	54%	0.538	S	S	*	.	H	α-helix	trans	-68.9	-39.6	174	-174.4	156.5	-122.7	0	0	111.5	D69 A75 Y76	D69-E72 HydrophobicContact CB-CB 4.23Å; D69-E72 PolarHBondContact O-N 3.43Å; D69-E72 VanDerWaalsContact O-N 3.1Å; E72-A75 PolarHBondContact O-N 3.36Å; E72-Y76 WeakPolarHBondContact O-CB 3.33Å; E72-Y76 PolarHBondContact O-N 2.95Å
73	V	62.7	Low	51.3	Low	61 Å²	61	97.5 Å²	97.5	37%	0.37	51%	0.51	S	S	.	.	H	α-helix	trans	-62.9	-47.8	172.9	176.8	0	0	0	0	111.5	V68 D69 A75 Y76 L77	V68-V73 HydrophobicContact CG1-CG2 3.84Å; D69-V73 WeakPolarHBondContact O-CG2 3.25Å; D69-V73 PolarHBondContact O-N 3.11Å; V73-A75 VanDerWaalsContact C-N 3.33Å; V73-A75 PolarHBondContact O-N 3Å; V73-Y76 WeakPolarHBondContact O-CB 3.37Å; V73-Y76 PolarHBondContact O-N 3.4Å; V73-L77 HydrophobicContact CG1-CD1 4.11Å; V73-L77 HydrophobicContact CG1-CG 4.48Å; V73-L77 WeakPolarHBondContact O-CG 3.34Å; V73-L77 PolarHBondContact O-N 2.87Å
74	L	55	Low	52.2	Low	67 Å²	67	99 Å²	99	35%	0.351	50%	0.496	S	S	.	.	H	α-helix	trans	-61.9	-41.9	174.7	-103.5	83.8	0	0	0	111.4	L70 Y76 L77 L78 L96	L70-L74 WeakPolarHBondContact O-CB 3.46Å; L70-L74 WeakPolarHBondContact O-CD1 3.46Å; L70-L74 PolarHBondContact O-N 3.25Å; L74-Y76 VanDerWaalsContact C-N 3.3Å; L74-Y76 PolarHBondContact O-N 2.89Å; L74-L77 PolarHBondContact O-N 3.03Å; L74-L78 HydrophobicContact CB-CD1 4.49Å; L74-L78 VanDerWaalsContact O-CB 3.3Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 WeakPolarHBondContact O-CD1 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.18Å; L74-L78 PolarHBondContact O-N 3Å; L74-L96 HydrophobicContact CD2-CD1 4.36Å
75	A	56.8	Low	53.5	Low	36 Å²	36	93.4 Å²	93.4	30%	0.298	48%	0.478	S	S	.	.	H	α-helix	trans	-62.2	-37.7	177	0	0	0	0	0	111.6	A71 E72 V73 R79	A71-A75 VanDerWaalsContact O-CB 3.22Å; A71-A75 WeakPolarHBondContact O-CB 3.5Å; A71-A75 PolarHBondContact O-N 2.82Å; E72-A75 PolarHBondContact O-N 3.36Å; V73-A75 VanDerWaalsContact C-N 3.33Å; V73-A75 PolarHBondContact O-N 3Å; A75-R79 VanDerWaalsContact C-NE 3.35Å; A75-R79 VanDerWaalsContact O-CB 3.27Å; A75-R79 WeakPolarHBondContact O-CB 3.22Å; A75-R79 WeakPolarHBondContact O-CG 3.41Å; A75-R79 PolarHBondContact O-N 2.95Å; A75-R79 PolarHBondContact O-NE 3.1Å
76	Y	56.1	Low	54.5	Low	83 Å²	83	88.1 Å²	88.1	33%	0.325	46%	0.458	S	S	.	.	H	α-helix	trans	-62.2	-52.2	171.7	177.2	-97	0	0	0	111.7	E72 V73 L74 L78 R79 R80	E72-Y76 WeakPolarHBondContact O-CB 3.33Å; E72-Y76 PolarHBondContact O-N 2.95Å; V73-Y76 WeakPolarHBondContact O-CB 3.37Å; V73-Y76 PolarHBondContact O-N 3.4Å; L74-Y76 VanDerWaalsContact C-N 3.3Å; L74-Y76 PolarHBondContact O-N 2.89Å; Y76-L78 VanDerWaalsContact C-N 3.33Å; Y76-L78 PolarHBondContact O-N 2.86Å; Y76-R79 PolarHBondContact O-N 3.23Å; Y76-R80 HydrophobicContact CE1-CG 4.22Å; Y76-R80 HydrophobicContact CE2-CG 4.13Å; Y76-R80 WeakPolarHBondContact O-CB 3.43Å; Y76-R80 PolarHBondContact O-N 3.45Å; Y76-R80 PolarHBondContact OH-NH1 3.15Å
77	L	52.5	Low	54.6	Low	48 Å²	48	87.2 Å²	87.2	25%	0.251	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-38.4	-179.8	-66.4	173.1	0	0	0	113.2	V73 L74 G81 Q82 V83	V73-L77 HydrophobicContact CG1-CD1 4.11Å; V73-L77 HydrophobicContact CG1-CG 4.48Å; V73-L77 WeakPolarHBondContact O-CG 3.34Å; V73-L77 PolarHBondContact O-N 2.87Å; L74-L77 PolarHBondContact O-N 3.03Å; L77-G81 PolarHBondContact O-N 2.88Å; L77-Q82 HydrophobicContact CD2-CB 4.4Å; L77-Q82 VanDerWaalsContact CD2-OE1 3.24Å; L77-Q82 PolarHBondContact O-N 2.86Å; L77-Q82 VanDerWaalsContact O-N 3.08Å; L77-V83 HydrophobicContact CB-CB 4.34Å; L77-V83 HydrophobicContact CB-CG2 3.97Å; L77-V83 HydrophobicContact CD1-CG2 4.31Å; L77-V83 PolarHBondContact O-N 3.28Å
78	L	56.7	Low	54.9	Low	72 Å²	72	80.2 Å²	80.2	38%	0.377	42%	0.421	S	S	.	.	H	α-helix	trans	-70.8	-39.2	175.9	-69.6	165.5	0	0	0	111.9	L74 Y76 G81 V83 V85	L74-L78 HydrophobicContact CB-CD1 4.49Å; L74-L78 VanDerWaalsContact O-CB 3.3Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 WeakPolarHBondContact O-CD1 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.18Å; L74-L78 PolarHBondContact O-N 3Å; Y76-L78 VanDerWaalsContact C-N 3.33Å; Y76-L78 PolarHBondContact O-N 2.86Å; L78-G81 PolarHBondContact O-N 3.14Å; L78-V83 HydrophobicContact CD2-CB 4.39Å; L78-V83 HydrophobicContact CD2-CG1 4.19Å; L78-V85 HydrophobicContact CD2-CG2 3.97Å
79	R	53.5	Low	54.3	Low	171 Å²	171	85.1 Å²	85.1	65%	0.645	44%	0.436	S	S	*	.	H	α-helix	trans	-66.1	-40.4	174	-77.8	174.1	-69.1	-156.9	3	111.9	A75 Y76 G81	A75-R79 VanDerWaalsContact C-NE 3.35Å; A75-R79 VanDerWaalsContact O-CB 3.27Å; A75-R79 WeakPolarHBondContact O-CB 3.22Å; A75-R79 WeakPolarHBondContact O-CG 3.41Å; A75-R79 PolarHBondContact O-N 2.95Å; A75-R79 PolarHBondContact O-NE 3.1Å; Y76-R79 PolarHBondContact O-N 3.23Å; R79-G81 PolarHBondContact O-N 2.98Å
80	R	46.4	Very low	52.9	Low	57 Å²	57	88.4 Å²	88.4	22%	0.215	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-2.3	175.8	-80.3	-81.6	170.7	109	-7.1	114	Y76 Q82 D241 D265	Y76-R80 HydrophobicContact CE1-CG 4.22Å; Y76-R80 HydrophobicContact CE2-CG 4.13Å; Y76-R80 WeakPolarHBondContact O-CB 3.43Å; Y76-R80 PolarHBondContact O-N 3.45Å; Y76-R80 PolarHBondContact OH-NH1 3.15Å; R80-Q82 HydrophobicContact CB-CG 4.15Å; R80-Q82 PolarHBondContact O-N 3.36Å; R80-Q82 VanDerWaalsContact O-N 3.14Å; R80-D241 IonicContact NH1-OD1 3.55Å; R80-D265 IonicContact CZ-OD2 2.81Å; R80-D265 IonicContact NE-OD2 2.71Å; R80-D265 PolarHBondContact NE-OD2 2.84Å; R80-D265 IonicContact NH2-OD2 3.34Å; R80-D265 PolarHBondContact NH2-OD2 3.33Å
81	G	45.4	Very low	52.2	Low	33 Å²	33	87.9 Å²	87.9	34%	0.34	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	10.1	178.5	0	0	0	0	0	115.3	L77 L78 R79 V83 S99	L77-G81 PolarHBondContact O-N 2.88Å; L78-G81 PolarHBondContact O-N 3.14Å; R79-G81 PolarHBondContact O-N 2.98Å; G81-V83 PolarHBondContact O-N 2.86Å; G81-S99 WeakPolarHBondContact O-CB 3.27Å; G81-S99 PolarHBondContact O-OG 2.99Å
82	Q	48	Very low	51.6	Low	77 Å²	77	91.6 Å²	91.6	36%	0.36	48%	0.478	S	S	.	.	S	Bend	trans	-77.1	-13	179.5	-67	175.4	-12.2	0	0	112.7	L77 R80 S99	L77-Q82 HydrophobicContact CD2-CB 4.4Å; L77-Q82 VanDerWaalsContact CD2-OE1 3.24Å; L77-Q82 PolarHBondContact O-N 2.86Å; L77-Q82 VanDerWaalsContact O-N 3.08Å; R80-Q82 HydrophobicContact CB-CG 4.15Å; R80-Q82 PolarHBondContact O-N 3.36Å; R80-Q82 VanDerWaalsContact O-N 3.14Å; Q82-S99 PolarHBondContact O-N 2.87Å; Q82-S99 PolarHBondContact O-OG 2.84Å
83	V	48	Very low	50.6	Low	13 Å²	13	86.9 Å²	86.9	8%	0.079	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.8	174.7	176.9	0	0	0	0	108.7	L77 L78 G81 L96 V97 S99	L77-V83 HydrophobicContact CB-CB 4.34Å; L77-V83 HydrophobicContact CB-CG2 3.97Å; L77-V83 HydrophobicContact CD1-CG2 4.31Å; L77-V83 PolarHBondContact O-N 3.28Å; L78-V83 HydrophobicContact CD2-CB 4.39Å; L78-V83 HydrophobicContact CD2-CG1 4.19Å; G81-V83 PolarHBondContact O-N 2.86Å; V83-L96 HydrophobicContact CG1-CD1 3.46Å; V83-L96 VanDerWaalsContact CG1-CD1 3.46Å; V83-L96 HydrophobicContact CG1-CD2 4.24Å; V83-L96 HydrophobicContact CG1-CG 3.55Å; V83-V97 CarbonylContact C-O 3.6Å; V83-V97 WeakPolarHBondContact CA-O 3.19Å; V83-S99 WeakPolarHBondContact CA-OG 3.46Å; V83-S99 PolarHBondContact N-OG 3.43Å
84	R	48.4	Very low	49.9	Very low	123 Å²	123	90.2 Å²	90.2	46%	0.464	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.9	166.9	-71.7	-177.5	173.2	161.5	4.1	110.4	V97 D102	R84-V97 PolarHBondContact N-O 3.33Å; R84-V97 PolarHBondContact O-N 3.14Å; R84-D102 IonicContact CZ-OD1 3.11Å; R84-D102 IonicContact CZ-OD2 3.5Å; R84-D102 IonicContact NH1-OD1 2.68Å; R84-D102 PolarHBondContact NH1-OD1 3.41Å; R84-D102 IonicContact NH1-OD2 3.86Å; R84-D102 IonicContact NH2-OD1 3.88Å; R84-D102 PolarHBondContact NH2-OD1 3.05Å; R84-D102 IonicContact NH2-OD2 2.7Å; R84-D102 PolarHBondContact NH2-OD2 3.25Å
85	V	58.8	Low	49.4	Very low	79 Å²	79	93 Å²	93	48%	0.479	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.9	168.6	177.2	0	0	0	0	108	L78 L94 L96	L78-V85 HydrophobicContact CD2-CG2 3.97Å; V85-L94 HydrophobicContact CG1-CD2 3.65Å; V85-L96 HydrophobicContact CG2-CD1 4.28Å
86	V	57.1	Low	48.9	Very low	70 Å²	70	96.2 Å²	96.2	42%	0.424	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.4	174.5	-174.7	0	0	0	0	108.8	G88 Q95 V97	V86-G88 PolarHBondContact O-N 2.68Å; V86-Q95 PolarHBondContact N-O 3.08Å; V86-Q95 PolarHBondContact O-N 3.44Å; V86-Q95 VanDerWaalsContact O-N 3.11Å; V86-V97 HydrophobicContact CB-CG2 4.24Å; V86-V97 HydrophobicContact CG2-CB 4.28Å; V86-V97 HydrophobicContact CG2-CG2 3.71Å
87	H	45.7	Very low	48.3	Very low	162 Å²	162	95.1 Å²	95.1	75%	0.75	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	108.2	177.9	-147.9	76.8	0	0	0	109.1
88	G	47.5	Very low	47.6	Very low	19 Å²	19	99.6 Å²	99.6	20%	0.196	53%	0.525	C	S	.	.			trans	-66.1	151.2	172.8	0	0	0	0	0	110.9	V86 E90 G93	V86-G88 PolarHBondContact O-N 2.68Å; G88-E90 PolarHBondContact O-N 3.25Å; G88-G93 VanDerWaalsContact CA-O 3.25Å; G88-G93 WeakPolarHBondContact CA-O 3.42Å; G88-G93 PolarHBondContact N-O 3.18Å
89	H	43.9	Very low	46.5	Very low	200 Å²	200	97.3 Å²	97.3	93%	0.926	51%	0.514	S	S	*	.	S	Bend	trans	-79.6	12.6	-168.7	-145.2	-57.8	0	0	0	114.6
90	E	43.2	Very low	45.7	Very low	164 Å²	164	98.8 Å²	98.8	77%	0.766	52%	0.521	S	S	*	.	S	Bend	trans	-128.1	151.4	178.6	-65.5	-168.1	164.7	0	0	111.2	G88 T92 G93	G88-E90 PolarHBondContact O-N 3.25Å; E90-T92 PolarHBondContact O-N 2.73Å; E90-G93 PolarHBondContact O-N 2.65Å
91	A	49	Very low	45.3	Very low	112 Å²	112	100 Å²	100	93%	0.926	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	0.5	-156.5	0	0	0	0	0	118
92	T	49.4	Very low	44.6	Very low	145 Å²	145	102.9 Å²	102.9	89%	0.89	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	9.3	173.8	51.9	0	0	0	0	113.4	E90 L94	E90-T92 PolarHBondContact O-N 2.73Å; T92-L94 PolarHBondContact O-N 3.38Å; T92-L94 VanDerWaalsContact O-N 3.17Å
93	G	38.3	Very low	44.2	Very low	33 Å²	33	103.2 Å²	103.2	34%	0.34	56%	0.557	S	S	.	*			trans	-85.4	79.3	-173.5	0	0	0	0	0	114.6	G88 E90 Q95	G88-G93 VanDerWaalsContact CA-O 3.25Å; G88-G93 WeakPolarHBondContact CA-O 3.42Å; G88-G93 PolarHBondContact N-O 3.18Å; E90-G93 PolarHBondContact O-N 2.65Å; G93-Q95 PolarHBondContact O-N 3.49Å
94	L	47.7	Very low	43.5	Very low	130 Å²	130	109 Å²	109	68%	0.681	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.7	106.4	162.9	-78.8	168.3	0	0	0	109.5	V85 T92	V85-L94 HydrophobicContact CG1-CD2 3.65Å; T92-L94 PolarHBondContact O-N 3.38Å; T92-L94 VanDerWaalsContact O-N 3.17Å
95	Q	45.4	Very low	42.8	Very low	126 Å²	126	112.8 Å²	112.8	59%	0.589	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.2	117.1	178.9	-166.6	167.5	2.7	0	0	110.6	V86 G93 V97	V86-Q95 PolarHBondContact N-O 3.08Å; V86-Q95 PolarHBondContact O-N 3.44Å; V86-Q95 VanDerWaalsContact O-N 3.11Å; G93-Q95 PolarHBondContact O-N 3.49Å; Q95-V97 HydrophobicContact CG-CG2 4.29Å; Q95-V97 PolarHBondContact O-N 3.19Å
96	L	45.3	Very low	41.8	Very low	104 Å²	104	116.5 Å²	116.5	55%	0.545	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	102.1	174.8	-159	77.6	0	0	0	108.6	L74 V83 V85	L74-L96 HydrophobicContact CD2-CD1 4.36Å; V83-L96 HydrophobicContact CG1-CD1 3.46Å; V83-L96 VanDerWaalsContact CG1-CD1 3.46Å; V83-L96 HydrophobicContact CG1-CD2 4.24Å; V83-L96 HydrophobicContact CG1-CG 3.55Å; V85-L96 HydrophobicContact CG2-CD1 4.28Å
97	V	44.8	Very low	40.9	Very low	60 Å²	60	118 Å²	118	36%	0.364	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.2	115.9	177	-179.1	0	0	0	0	108.1	V83 R84 V86 Q95 S99	V83-V97 CarbonylContact C-O 3.6Å; V83-V97 WeakPolarHBondContact CA-O 3.19Å; R84-V97 PolarHBondContact N-O 3.33Å; R84-V97 PolarHBondContact O-N 3.14Å; V86-V97 HydrophobicContact CB-CG2 4.24Å; V86-V97 HydrophobicContact CG2-CB 4.28Å; V86-V97 HydrophobicContact CG2-CG2 3.71Å; Q95-V97 HydrophobicContact CG-CG2 4.29Å; Q95-V97 PolarHBondContact O-N 3.19Å; V97-S99 PolarHBondContact O-N 3.19Å; V97-S99 VanDerWaalsContact O-N 3.14Å
98	Q	37.3	Very low	40.7	Very low	142 Å²	142	114.6 Å²	114.6	66%	0.664	63%	0.629	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.7	105.6	170.6	-170.3	171.9	21	0	0	108.1	Y100	Q98-Y100 PolarHBondContact O-N 3.36Å
99	S	34.4	Very low	40.3	Very low	23 Å²	23	115.7 Å²	115.7	16%	0.161	64%	0.64	C	S	.	*			trans	-74.7	94	175	23.4	0	0	0	0	109.2	G81 Q82 V83 V97	G81-S99 WeakPolarHBondContact O-CB 3.27Å; G81-S99 PolarHBondContact O-OG 2.99Å; Q82-S99 PolarHBondContact O-N 2.87Å; Q82-S99 PolarHBondContact O-OG 2.84Å; V83-S99 WeakPolarHBondContact CA-OG 3.46Å; V83-S99 PolarHBondContact N-OG 3.43Å; V97-S99 PolarHBondContact O-N 3.19Å; V97-S99 VanDerWaalsContact O-N 3.14Å
100	Y	36.1	Very low	40.1	Very low	202 Å²	202	108 Å²	108	79%	0.792	61%	0.611	S	S	*	*			trans	-43.7	139.9	130.8	-62.5	-78.9	0	0	0	108.2	Q98	Q98-Y100 PolarHBondContact O-N 3.36Å
101	S	37.3	Very low	40.5	Very low	83 Å²	83	102.4 Å²	102.4	58%	0.58	58%	0.583	S	S	*	*			trans	-33.6	149.1	-174.4	-177.4	0	0	0	0	114.4	S103	S101-S103 PolarHBondContact O-N 2.81Å; S101-S103 PolarHBondContact O-OG 2.71Å; S101-S103 PolarHBondContact OG-N 3.45Å; S101-S103 VanDerWaalsContact OG-N 3.17Å
102	D	30.9	Very low	40.4	Very low	93 Å²	93	101.5 Å²	101.5	50%	0.497	56%	0.563	S	S	.	*	S	Bend	trans	-66.8	48.4	154.7	-57.8	-88.7	0	0	0	111.1	R84 D104	R84-D102 IonicContact CZ-OD1 3.11Å; R84-D102 IonicContact CZ-OD2 3.5Å; R84-D102 IonicContact NH1-OD1 2.68Å; R84-D102 PolarHBondContact NH1-OD1 3.41Å; R84-D102 IonicContact NH1-OD2 3.86Å; R84-D102 IonicContact NH2-OD1 3.88Å; R84-D102 PolarHBondContact NH2-OD1 3.05Å; R84-D102 IonicContact NH2-OD2 2.7Å; R84-D102 PolarHBondContact NH2-OD2 3.25Å; D102-D104 VanDerWaalsContact C-N 3.29Å; D102-D104 PolarHBondContact O-N 2.82Å
103	S	40.2	Very low	40.3	Very low	85 Å²	85	95.9 Å²	95.9	59%	0.594	53%	0.534	S	S	*	.			trans	-72.2	96.2	137.9	49.2	0	0	0	0	106.1	S101	S101-S103 PolarHBondContact O-N 2.81Å; S101-S103 PolarHBondContact O-OG 2.71Å; S101-S103 PolarHBondContact OG-N 3.45Å; S101-S103 VanDerWaalsContact OG-N 3.17Å
104	D	32.1	Very low	40.6	Very low	133 Å²	133	102 Å²	102	71%	0.711	55%	0.547	S	S	*	.			trans	-49.2	162.2	145.3	-73.9	-53.1	0	0	0	109.2	D102 D106	D102-D104 VanDerWaalsContact C-N 3.29Å; D102-D104 PolarHBondContact O-N 2.82Å; D104-D106 PolarHBondContact O-N 3.29Å
105	E	34	Very low	40.7	Very low	203 Å²	203	97.8 Å²	97.8	95%	0.949	53%	0.525	S	S	*	.	S	Bend	trans	-73.5	40.5	-170.5	-58.3	-177.7	125.6	0	0	114.3	S107	E105-S107 PolarHBondContact O-N 3.17Å
106	D	37.8	Very low	40.9	Very low	157 Å²	157	91.9 Å²	91.9	84%	0.84	50%	0.498	S	S	*	.			trans	-62.4	85.5	165.7	-91.8	-18.1	0	0	0	109.8	D104 D108	D104-D106 PolarHBondContact O-N 3.29Å; D106-D108 PolarHBondContact O-N 2.71Å
107	S	37.9	Very low	41.3	Very low	101 Å²	101	93.4 Å²	93.4	71%	0.706	51%	0.507	S	S	*	.			trans	-34.1	122.1	169.8	177.9	0	0	0	0	112.7	E105 G109	E105-S107 PolarHBondContact O-N 3.17Å; S107-G109 PolarHBondContact O-N 3.12Å; S107-G109 PolarHBondContact OG-N 2.94Å
108	D	43.1	Very low	42	Very low	92 Å²	92	100 Å²	100	49%	0.492	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-66.9	11.2	176.9	-145.1	-13.5	0	0	0	113.2	D106 A110 W111 K199	D106-D108 PolarHBondContact O-N 2.71Å; D108-A110 PolarHBondContact O-N 2.69Å; D108-W111 PolarHBondContact O-N 2.72Å; D108-W111 VanDerWaalsContact O-N 3.12Å; D108-K199 IonicContact OD1-NZ 3.25Å; D108-K199 PolarHBondContact OD1-NZ 3.48Å; D108-K199 IonicContact OD2-NZ 3.88Å; D108-K199 PolarHBondContact OD2-NZ 3.48Å
109	G	38.9	Very low	44	Very low	42 Å²	42	94.8 Å²	94.8	43%	0.433	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-60.3	0.3	169.7	0	0	0	0	0	115.2	S107 W111 D112	S107-G109 PolarHBondContact O-N 3.12Å; S107-G109 PolarHBondContact OG-N 2.94Å; G109-W111 PolarHBondContact O-N 2.7Å; G109-W111 VanDerWaalsContact O-N 3.08Å; G109-D112 WeakPolarHBondContact O-CB 3.25Å; G109-D112 PolarHBondContact O-N 2.83Å; G109-D112 VanDerWaalsContact O-N 3.1Å
110	A	38.9	Very low	46.1	Very low	39 Å²	39	100.2 Å²	100.2	32%	0.322	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-50.8	-22.2	157.9	0	0	0	0	0	112.7	D108	D108-A110 PolarHBondContact O-N 2.69Å
111	W	52.7	Low	48.4	Very low	46 Å²	46	90.9 Å²	90.9	17%	0.174	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-115.7	33.4	174.3	-87.1	90.1	0	0	0	115.9	D108 G109 G113 H466 S489 A512 C513 W531	D108-W111 PolarHBondContact O-N 2.72Å; D108-W111 VanDerWaalsContact O-N 3.12Å; G109-W111 PolarHBondContact O-N 2.7Å; G109-W111 VanDerWaalsContact O-N 3.08Å; W111-G113 PolarHBondContact O-N 3.26Å; W111-H466 AromaticContact CE2-CD2 3.69Å; W111-H466 AromaticContact CE2-CG 3.86Å; W111-H466 HydrophobicContact CZ2-CB 4.47Å; W111-H466 AromaticContact CZ2-CD2 3.29Å; W111-H466 WeakPolarHBondContact CZ2-CD2 3.45Å; W111-H466 AromaticContact CZ2-CG 3.88Å; W111-H466 AromaticContact CZ2-NE2 3.78Å; W111-H466 AromaticContact NE1-CD2 3.63Å; W111-H466 AromaticContact NE1-CG 3.3Å; W111-H466 VanDerWaalsContact NE1-CG 3.3Å; W111-H466 AromaticContact NE1-ND1 3.59Å; W111-S489 WeakPolarHBondContact CH2-O 3.43Å; W111-A512 HydrophobicContact CD2-CB 4.41Å; W111-A512 HydrophobicContact CE3-CB 3.63Å; W111-A512 HydrophobicContact CH2-CB 4.04Å; W111-A512 VanDerWaalsContact CZ3-CA 3.48Å; W111-A512 HydrophobicContact CZ3-CB 3.44Å; W111-A512 VanDerWaalsContact CZ3-CB 3.44Å; W111-C513 HydrophobicContact CH2-CB 3.73Å; W111-C513 HydrophobicContact CZ2-CB 3.44Å; W111-C513 VanDerWaalsContact CZ2-CB 3.44Å; W111-W531 AromaticContact CD1-CE3 3.57Å; W111-W531 AromaticContact CD1-CZ3 3.64Å; W111-W531 HydrophobicContact CD2-CE3 4.49Å; W111-W531 AromaticContact CE2-CE3 3.85Å; W111-W531 HydrophobicContact CG-CE3 4.32Å; W111-W531 AromaticContact NE1-CE3 3.22Å; W111-W531 AromaticContact NE1-CZ3 3.34Å; W111-W531 VanDerWaalsContact NE1-CZ3 3.34Å
112	D	45.8	Very low	50.6	Low	92 Å²	92	89.5 Å²	89.5	49%	0.492	48%	0.48	S	S	.	.	S	Bend	trans	-71.6	39.4	165.8	-174.9	38.7	0	0	0	113	G109 R114	G109-D112 WeakPolarHBondContact O-CB 3.25Å; G109-D112 PolarHBondContact O-N 2.83Å; G109-D112 VanDerWaalsContact O-N 3.1Å; D112-R114 WeakPolarHBondContact O-CG 3.31Å; D112-R114 PolarHBondContact O-N 3.44Å; D112-R114 IonicContact OD1-NH2 2.69Å; D112-R114 IonicContact OD2-CZ 3.27Å; D112-R114 IonicContact OD2-NE 2.83Å; D112-R114 PolarHBondContact OD2-NE 3.06Å; D112-R114 IonicContact OD2-NH2 2.94Å; D112-R114 PolarHBondContact OD2-NH2 3.29Å
113	G	47.9	Very low	53.2	Low	28 Å²	28	88.1 Å²	88.1	29%	0.289	48%	0.475	S	S	.	.	S	Bend	trans	64.9	-38.2	177.2	0	0	0	0	0	117.8	W111 L115 G116	W111-G113 PolarHBondContact O-N 3.26Å; G113-L115 PolarHBondContact O-N 2.73Å; G113-G116 PolarHBondContact O-N 2.67Å
114	R	43.8	Very low	55.4	Low	161 Å²	161	86.5 Å²	86.5	61%	0.608	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.8	-161.8	-68.2	167	-146.1	-145.8	5.4	116.5	D112	D112-R114 WeakPolarHBondContact O-CG 3.31Å; D112-R114 PolarHBondContact O-N 3.44Å; D112-R114 IonicContact OD1-NH2 2.69Å; D112-R114 IonicContact OD2-CZ 3.27Å; D112-R114 IonicContact OD2-NE 2.83Å; D112-R114 PolarHBondContact OD2-NE 3.06Å; D112-R114 IonicContact OD2-NH2 2.94Å; D112-R114 PolarHBondContact OD2-NH2 3.29Å
115	L	49.6	Very low	57.9	Low	41 Å²	41	85 Å²	85	22%	0.215	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-39.3	-175.6	-59.9	-178.8	0	0	0	112.9	G113 Q436	G113-L115 PolarHBondContact O-N 2.73Å; L115-Q436 HydrophobicContact CD2-CG 3.75Å
116	G	50.8	Low	60.5	Low	3 Å²	3	83.4 Å²	83.4	3%	0.031	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-56.7	-178.5	0	0	0	0	0	112.5	G113 R118 Y119	G113-G116 PolarHBondContact O-N 2.67Å; G116-R118 PolarHBondContact O-N 2.77Å; G116-R118 VanDerWaalsContact O-N 3.07Å; G116-Y119 PolarHBondContact O-N 2.81Å
117	D	52.8	Low	63	Low	136 Å²	136	76.8 Å²	76.8	73%	0.727	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.8	-171.9	-60.5	-17.7	0	0	0	114.4
118	R	60.2	Low	65.6	Low	197 Å²	197	75.6 Å²	75.6	74%	0.743	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-9	-175.8	-61.5	-176.4	-179.9	-165.6	-0.3	113	G116	G116-R118 PolarHBondContact O-N 2.77Å; G116-R118 VanDerWaalsContact O-N 3.07Å
119	Y	77.9	Confident	68.1	Low	33 Å²	33	73 Å²	73	13%	0.129	39%	0.391	C	S	.	.			trans	-92.7	120.2	177.7	-173.4	-127.2	0	0	0	110.8	G116 P121 P122 V437 T490	G116-Y119 PolarHBondContact O-N 2.81Å; Y119-P121 HydrophobicContact CD1-CB 4.49Å; Y119-P121 HydrophobicContact CD1-CG 3.88Å; Y119-P121 HydrophobicContact CE1-CB 3.77Å; Y119-P121 HydrophobicContact CE1-CG 3.61Å; Y119-P122 WeakPolarHBondContact OH-CD 3.38Å; Y119-V437 HydrophobicContact CD2-CB 4.47Å; Y119-V437 HydrophobicContact CE1-CB 4.49Å; Y119-V437 HydrophobicContact CE1-CG2 3.84Å; Y119-V437 HydrophobicContact CE2-CB 3.71Å; Y119-V437 HydrophobicContact CE2-CG1 4.28Å; Y119-V437 HydrophobicContact CE2-CG2 3.96Å; Y119-T490 HydrophobicContact CD1-CG2 4.03Å; Y119-T490 WeakPolarHBondContact O-CG2 3.39Å
120	N	80.5	Confident	70.7	Confident	137 Å²	137	76.2 Å²	76.2	73%	0.733	39%	0.394	S	S	*	.			trans	-109.4	103.2	168.4	-170.5	15	0	0	0	108.2
121	P	83.6	Confident	73.4	Confident	7 Å²	7	77.3 Å²	77.3	5%	0.045	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-64	134.7	-174.6	-15.5	25.7	0	0	0	111.5	Y119 V123 H462 T490	Y119-P121 HydrophobicContact CD1-CB 4.49Å; Y119-P121 HydrophobicContact CD1-CG 3.88Å; Y119-P121 HydrophobicContact CE1-CB 3.77Å; Y119-P121 HydrophobicContact CE1-CG 3.61Å; P121-V123 PolarHBondContact O-N 3.12Å; P121-H462 VanDerWaalsContact CB-C 3.41Å; P121-H462 WeakPolarHBondContact CB-O 3.23Å; P121-T490 HydrophobicContact CG-CG2 4.35Å
122	P	83.6	Confident	75.5	Confident	53 Å²	53	75.1 Å²	75.1	34%	0.344	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-64.7	122.4	-175.9	26.2	-33.6	0	0	0	110.6	Y119 R460 G461	Y119-P122 WeakPolarHBondContact OH-CD 3.38Å; P122-R460 WeakPolarHBondContact O-CB 3.47Å; P122-G461 PolarHBondContact O-N 2.63Å
123	V	85.8	Confident	77.9	Confident	65 Å²	65	74 Å²	74	39%	0.394	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-91.4	140.3	177.1	-166.1	0	0	0	0	108.4	P121 V503	P121-V123 PolarHBondContact O-N 3.12Å; V123-V503 HydrophobicContact CG1-CG2 4.15Å
124	D	85.1	Confident	80.1	Confident	51 Å²	51	81.6 Å²	81.6	27%	0.273	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-78.4	123.4	167.9	-154.8	-37.4	0	0	0	109.5	Q126 P127 R460	D124-Q126 PolarHBondContact OD1-N 2.99Å; D124-Q126 VanDerWaalsContact OD1-N 3.1Å; D124-P127 HydrophobicContact CB-CG 4.26Å; D124-R460 IonicContact OD2-NH1 2.76Å
125	S	84.9	Confident	82.6	Confident	100 Å²	100	74.7 Å²	74.7	70%	0.699	38%	0.375	S	S	*	.	S	Bend	trans	-88.9	-15.9	-178.6	57.6	0	0	0	0	113.3
126	Q	88.8	Confident	84.8	Confident	170 Å²	170	76 Å²	76	79%	0.794	38%	0.38	S	S	*	.	S	Bend	trans	-143.9	72.3	177.1	-67.1	-173.9	-18.4	0	0	109.7	D124	D124-Q126 PolarHBondContact OD1-N 2.99Å; D124-Q126 VanDerWaalsContact OD1-N 3.1Å
127	P	91.4	Very high	87	Confident	19 Å²	19	75.8 Å²	75.8	12%	0.123	38%	0.378	C	S	.	.			trans	-59.6	137.5	-178.7	-20.3	31.9	0	0	0	112.4	D124 T129 M457 M502	D124-P127 HydrophobicContact CB-CG 4.26Å; P127-T129 PolarHBondContact O-N 2.85Å; P127-T129 VanDerWaalsContact O-N 3.07Å; P127-M457 HydrophobicContact CB-CE 3.46Å; P127-M457 VanDerWaalsContact CB-CE 3.46Å; P127-M502 HydrophobicContact CG-SD 3.84Å
128	D	91.8	Very high	89.1	Confident	75 Å²	75	73 Å²	73	40%	0.401	36%	0.357	S	S	.	.			trans	-75.3	93.9	179.2	175.5	31.4	0	0	0	111.9	Q130	D128-Q130 VanDerWaalsContact C-N 3.31Å; D128-Q130 PolarHBondContact O-N 2.76Å; D128-Q130 WeakPolarHBondContact OD1-CB 3.32Å; D128-Q130 VanDerWaalsContact OD1-CG 3.3Å; D128-Q130 WeakPolarHBondContact OD1-CG 3.18Å; D128-Q130 PolarHBondContact OD1-N 2.98Å; D128-Q130 PolarHBondContact OD1-NE2 2.72Å
129	T	95.2	Very high	90.8	Very high	39 Å²	39	67.2 Å²	67.2	24%	0.239	34%	0.344	C	S	.	.			trans	-80.8	-1.3	-177.7	60.5	0	0	0	0	114.7	P127 E131 V132 D133 M457	P127-T129 PolarHBondContact O-N 2.85Å; P127-T129 VanDerWaalsContact O-N 3.07Å; T129-E131 VanDerWaalsContact C-N 3.31Å; T129-E131 PolarHBondContact O-N 3.35Å; T129-E131 VanDerWaalsContact O-N 3.12Å; T129-V132 HydrophobicContact CG2-CG1 4.37Å; T129-V132 VanDerWaalsContact O-CG1 3.24Å; T129-V132 WeakPolarHBondContact O-CG1 3.49Å; T129-V132 PolarHBondContact O-N 3.45Å; T129-V132 VanDerWaalsContact O-N 3.14Å; T129-D133 VanDerWaalsContact CB-OD2 3.23Å; T129-D133 WeakPolarHBondContact CB-OD2 3.42Å; T129-D133 WeakPolarHBondContact O-CB 3.48Å; T129-D133 PolarHBondContact O-N 3.22Å; T129-D133 PolarHBondContact OG1-OD2 2.83Å; T129-M457 HydrophobicContact CG2-CE 3.83Å
130	Q	94.6	Very high	91.6	Very high	108 Å²	108	67.2 Å²	67.2	51%	0.505	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-36.4	-166	-74.4	176.5	84.5	0	0	115.4	D128 R134	D128-Q130 VanDerWaalsContact C-N 3.31Å; D128-Q130 PolarHBondContact O-N 2.76Å; D128-Q130 WeakPolarHBondContact OD1-CB 3.32Å; D128-Q130 VanDerWaalsContact OD1-CG 3.3Å; D128-Q130 WeakPolarHBondContact OD1-CG 3.18Å; D128-Q130 PolarHBondContact OD1-N 2.98Å; D128-Q130 PolarHBondContact OD1-NE2 2.72Å; Q130-R134 WeakPolarHBondContact O-CD 3.46Å; Q130-R134 WeakPolarHBondContact O-CG 3.22Å
131	E	95.6	Very high	92.3	Very high	63 Å²	63	60.8 Å²	60.8	29%	0.294	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-42.8	178.8	-67.9	-75.3	96.2	0	0	111.2	T129 D133 R134 S135 K411 V456	T129-E131 VanDerWaalsContact C-N 3.31Å; T129-E131 PolarHBondContact O-N 3.35Å; T129-E131 VanDerWaalsContact O-N 3.12Å; E131-D133 VanDerWaalsContact C-N 3.32Å; E131-D133 PolarHBondContact O-N 3.15Å; E131-R134 PolarHBondContact O-N 2.68Å; E131-S135 WeakPolarHBondContact O-CB 3.28Å; E131-S135 PolarHBondContact O-N 3.21Å; E131-K411 IonicContact OE2-NZ 2.66Å; E131-K411 PolarHBondContact OE2-NZ 3.47Å; E131-V456 HydrophobicContact CB-CG1 4.31Å; E131-V456 WeakPolarHBondContact CB-O 3.46Å
132	V	96.4	Very high	92.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-66.5	-33.7	176.2	68.1	0	0	0	0	111.9	T129 R134 S135 I137 R138 V456 M457 L499	T129-V132 HydrophobicContact CG2-CG1 4.37Å; T129-V132 VanDerWaalsContact O-CG1 3.24Å; T129-V132 WeakPolarHBondContact O-CG1 3.49Å; T129-V132 PolarHBondContact O-N 3.45Å; T129-V132 VanDerWaalsContact O-N 3.14Å; V132-R134 PolarHBondContact O-N 3.19Å; V132-S135 WeakPolarHBondContact O-CB 3.35Å; V132-S135 PolarHBondContact O-N 2.84Å; V132-S135 VanDerWaalsContact O-N 3.1Å; V132-S135 PolarHBondContact O-OG 2.94Å; V132-I137 HydrophobicContact CG2-CG2 4.5Å; V132-R138 VanDerWaalsContact O-CB 3.23Å; V132-R138 WeakPolarHBondContact O-CB 3.19Å; V132-R138 WeakPolarHBondContact O-CD 3.36Å; V132-V456 HydrophobicContact CB-CG1 3.94Å; V132-V456 HydrophobicContact CG2-CG1 4.45Å; V132-M457 HydrophobicContact CG1-SD 3.86Å; V132-L499 HydrophobicContact CG2-CD2 4.36Å
133	D	95.4	Very high	93.2	Very high	67 Å²	67	65.2 Å²	65.2	36%	0.358	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-62.7	-21.1	175.7	-79.7	-33.2	0	0	0	113.8	T129 E131 R138	T129-D133 VanDerWaalsContact CB-OD2 3.23Å; T129-D133 WeakPolarHBondContact CB-OD2 3.42Å; T129-D133 WeakPolarHBondContact O-CB 3.48Å; T129-D133 PolarHBondContact O-N 3.22Å; T129-D133 PolarHBondContact OG1-OD2 2.83Å; E131-D133 VanDerWaalsContact C-N 3.32Å; E131-D133 PolarHBondContact O-N 3.15Å; D133-R138 IonicContact OD1-CZ 2.98Å; D133-R138 IonicContact OD1-NE 3.63Å; D133-R138 IonicContact OD1-NH1 2.84Å; D133-R138 PolarHBondContact OD1-NH1 2.86Å; D133-R138 IonicContact OD1-NH2 3.36Å; D133-R138 PolarHBondContact OD1-NH2 3.43Å
134	R	95.6	Very high	93.5	Very high	189 Å²	189	63.7 Å²	63.7	71%	0.713	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-107.2	-1.6	177.7	-61.4	172.6	-175.3	153	4.5	113.2	Q130 E131 V132	Q130-R134 WeakPolarHBondContact O-CD 3.46Å; Q130-R134 WeakPolarHBondContact O-CG 3.22Å; E131-R134 PolarHBondContact O-N 2.68Å; V132-R134 PolarHBondContact O-N 3.19Å
135	S	96	Very high	93.7	Very high	16 Å²	16	61.3 Å²	61.3	11%	0.112	31%	0.312	C	S	.	.	S	Bend	trans	-82.4	160.6	-171.2	72.1	0	0	0	0	114.2	E131 V132 I137 R138	E131-S135 WeakPolarHBondContact O-CB 3.28Å; E131-S135 PolarHBondContact O-N 3.21Å; V132-S135 WeakPolarHBondContact O-CB 3.35Å; V132-S135 PolarHBondContact O-N 2.84Å; V132-S135 VanDerWaalsContact O-N 3.1Å; V132-S135 PolarHBondContact O-OG 2.94Å; S135-I137 WeakPolarHBondContact OG-CG2 3.31Å; S135-R138 PolarHBondContact OG-N 3.17Å
136	E	96.1	Very high	93.7	Very high	67 Å²	67	58 Å²	58	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-69.9	-40.5	173.4	-156.3	-155.1	132.5	0	0	111.7	R138 T139 Q140 R393 Y394 R410	E136-R138 PolarHBondContact O-N 3.17Å; E136-T139 WeakPolarHBondContact O-CA 3.43Å; E136-T139 WeakPolarHBondContact O-CB 3.4Å; E136-T139 PolarHBondContact O-N 3.47Å; E136-Q140 WeakPolarHBondContact O-CG 3.47Å; E136-Q140 PolarHBondContact O-N 3.36Å; E136-Q140 PolarHBondContact OE1-NE2 3.21Å; E136-R393 IonicContact OE1-CZ 2.85Å; E136-R393 IonicContact OE1-NH1 3.1Å; E136-R393 PolarHBondContact OE1-NH1 3.02Å; E136-R393 IonicContact OE1-NH2 3.28Å; E136-R393 IonicContact OE2-NH1 2.73Å; E136-R393 PolarHBondContact OE2-NH1 2.97Å; E136-Y394 HydrophobicContact CB-CE2 4.42Å; E136-Y394 WeakPolarHBondContact CB-OH 3.38Å; E136-Y394 PolarHBondContact N-OH 2.87Å; E136-R410 IonicContact OE2-CZ 3.12Å; E136-R410 IonicContact OE2-NH1 2.67Å; E136-R410 PolarHBondContact OE2-NH1 3.2Å; E136-R410 IonicContact OE2-NH2 3.62Å; E136-R410 PolarHBondContact OE2-NH2 2.71Å
137	I	96.8	Very high	93.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-54.4	-35.8	177.7	179.6	170.5	0	0	0	112.5	V132 S135 Q140 I141 K389 Y394 L406 F473 V498	V132-I137 HydrophobicContact CG2-CG2 4.5Å; S135-I137 WeakPolarHBondContact OG-CG2 3.31Å; I137-Q140 PolarHBondContact O-N 3.42Å; I137-I141 HydrophobicContact CD1-CD1 4.18Å; I137-I141 HydrophobicContact CG1-CD1 3.68Å; I137-I141 HydrophobicContact CG1-CG1 4.2Å; I137-I141 WeakPolarHBondContact O-CG1 3.35Å; I137-I141 PolarHBondContact O-N 3.07Å; I137-K389 HydrophobicContact CD1-CD 3.74Å; I137-K389 HydrophobicContact CG1-CD 4.16Å; I137-Y394 HydrophobicContact CB-CD1 4.14Å; I137-Y394 HydrophobicContact CB-CD2 3.9Å; I137-Y394 HydrophobicContact CB-CE1 3.92Å; I137-Y394 HydrophobicContact CB-CE2 3.64Å; I137-Y394 HydrophobicContact CB-CG 4.15Å; I137-Y394 HydrophobicContact CD1-CD1 4.32Å; I137-Y394 HydrophobicContact CD1-CG 4.14Å; I137-Y394 HydrophobicContact CG2-CD1 3.99Å; I137-Y394 HydrophobicContact CG2-CE1 3.55Å; I137-Y394 HydrophobicContact CG2-CE2 4.19Å; I137-Y394 PolarHBondContact N-OH 3.29Å; I137-L406 HydrophobicContact CD1-CD1 3.93Å; I137-L406 HydrophobicContact CD1-CD2 4.15Å; I137-L406 HydrophobicContact CG2-CD2 4.34Å; I137-F473 HydrophobicContact CD1-CE1 4.2Å; I137-F473 HydrophobicContact CD1-CZ 4.49Å; I137-V498 HydrophobicContact CD1-CG1 4Å; I137-V498 HydrophobicContact CG1-CG1 4.49Å
138	R	96.4	Very high	92	Very high	77 Å²	77	53.9 Å²	53.9	29%	0.291	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-44.6	172.1	175.6	173.9	-177.8	109.4	-14.4	112.7	V132 D133 S135 E136 Q140 L142 L499	V132-R138 VanDerWaalsContact O-CB 3.23Å; V132-R138 WeakPolarHBondContact O-CB 3.19Å; V132-R138 WeakPolarHBondContact O-CD 3.36Å; D133-R138 IonicContact OD1-CZ 2.98Å; D133-R138 IonicContact OD1-NE 3.63Å; D133-R138 IonicContact OD1-NH1 2.84Å; D133-R138 PolarHBondContact OD1-NH1 2.86Å; D133-R138 IonicContact OD1-NH2 3.36Å; D133-R138 PolarHBondContact OD1-NH2 3.43Å; S135-R138 PolarHBondContact OG-N 3.17Å; E136-R138 PolarHBondContact O-N 3.17Å; R138-Q140 VanDerWaalsContact C-N 3.35Å; R138-L142 HydrophobicContact CG-CD1 3.81Å; R138-L142 HydrophobicContact CG-CG 4.39Å; R138-L142 WeakPolarHBondContact O-CB 3.45Å; R138-L142 WeakPolarHBondContact O-CG 3.41Å; R138-L142 PolarHBondContact O-N 2.84Å; R138-L499 HydrophobicContact CB-CD2 3.94Å; R138-L499 HydrophobicContact CG-CD2 4.07Å
139	T	95	Very high	90.2	Very high	75 Å²	75	53.4 Å²	53.4	46%	0.46	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-43.9	176.7	-57	0	0	0	0	110.6	E136 L142 L143	E136-T139 WeakPolarHBondContact O-CA 3.43Å; E136-T139 WeakPolarHBondContact O-CB 3.4Å; E136-T139 PolarHBondContact O-N 3.47Å; T139-L142 PolarHBondContact O-N 2.87Å; T139-L143 HydrophobicContact CG2-CD1 4.02Å; T139-L143 VanDerWaalsContact O-CG 3.29Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 2.68Å
140	Q	95.4	Very high	87.9	Confident	33 Å²	33	60.1 Å²	60.1	15%	0.154	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-52.3	176.9	-64.1	173.9	5.5	0	0	112.2	E136 I137 R138 L142 L143 A144 D391	E136-Q140 WeakPolarHBondContact O-CG 3.47Å; E136-Q140 PolarHBondContact O-N 3.36Å; E136-Q140 PolarHBondContact OE1-NE2 3.21Å; I137-Q140 PolarHBondContact O-N 3.42Å; R138-Q140 VanDerWaalsContact C-N 3.35Å; Q140-L142 VanDerWaalsContact C-N 3.32Å; Q140-L142 PolarHBondContact O-N 2.87Å; Q140-L143 PolarHBondContact O-N 2.94Å; Q140-L143 VanDerWaalsContact O-N 3.12Å; Q140-A144 WeakPolarHBondContact O-CB 3.46Å; Q140-A144 PolarHBondContact O-N 2.86Å; Q140-D391 PolarHBondContact NE2-OD2 2.91Å; Q140-D391 PolarHBondContact OE1-OD2 2.89Å; Q140-D391 VanDerWaalsContact OE1-OD2 3.09Å
141	I	95.6	Very high	85.6	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-38	-179.8	-67	172.2	0	0	0	111	I137 L143 A144 T145 R482 V498 L499	I137-I141 HydrophobicContact CD1-CD1 4.18Å; I137-I141 HydrophobicContact CG1-CD1 3.68Å; I137-I141 HydrophobicContact CG1-CG1 4.2Å; I137-I141 WeakPolarHBondContact O-CG1 3.35Å; I137-I141 PolarHBondContact O-N 3.07Å; I141-L143 VanDerWaalsContact C-N 3.32Å; I141-L143 PolarHBondContact O-N 3.42Å; I141-A144 PolarHBondContact O-N 3.49Å; I141-T145 WeakPolarHBondContact O-CB 3.48Å; I141-T145 WeakPolarHBondContact O-CG2 3.5Å; I141-T145 PolarHBondContact O-N 3.04Å; I141-T145 PolarHBondContact O-OG1 2.78Å; I141-R482 HydrophobicContact CG2-CB 3.91Å; I141-R482 HydrophobicContact CG2-CG 4.12Å; I141-V498 HydrophobicContact CD1-CB 3.9Å; I141-V498 HydrophobicContact CD1-CG1 3.63Å; I141-V498 HydrophobicContact CD1-CG2 4.39Å; I141-L499 HydrophobicContact CB-CD1 4.42Å; I141-L499 HydrophobicContact CB-CD2 4.23Å; I141-L499 HydrophobicContact CD1-CD2 3.94Å; I141-L499 HydrophobicContact CG2-CD1 3.93Å; I141-L499 HydrophobicContact CG2-CD2 4.36Å; I141-L499 HydrophobicContact CG2-CG 4.23Å
142	L	93.6	Very high	83.4	Confident	44 Å²	44	64 Å²	64	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-69.2	-27.2	175.6	-71.4	174.1	0	0	0	113.1	R138 T139 Q140 A146 S147 S148 L499	R138-L142 HydrophobicContact CG-CD1 3.81Å; R138-L142 HydrophobicContact CG-CG 4.39Å; R138-L142 WeakPolarHBondContact O-CB 3.45Å; R138-L142 WeakPolarHBondContact O-CG 3.41Å; R138-L142 PolarHBondContact O-N 2.84Å; T139-L142 PolarHBondContact O-N 2.87Å; Q140-L142 VanDerWaalsContact C-N 3.32Å; Q140-L142 PolarHBondContact O-N 2.87Å; L142-A146 CarbonylContact O-C 3.58Å; L142-A146 PolarHBondContact O-N 3.03Å; L142-S147 CarbonylContact O-C 3.6Å; L142-S147 WeakPolarHBondContact O-CA 3.29Å; L142-S147 PolarHBondContact O-N 3.37Å; L142-S148 PolarHBondContact O-N 2.85Å; L142-L499 HydrophobicContact CD2-CD1 4.1Å; L142-L499 HydrophobicContact CG-CD1 4.16Å
143	L	92.3	Very high	81.5	Confident	110 Å²	110	76.3 Å²	76.3	58%	0.576	39%	0.39	S	S	*	.	H	α-helix	trans	-76.6	-48.8	170.8	-71.4	168.7	0	0	0	111.1	T139 Q140 I141 T145 A146	T139-L143 HydrophobicContact CG2-CD1 4.02Å; T139-L143 VanDerWaalsContact O-CG 3.29Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 2.68Å; Q140-L143 PolarHBondContact O-N 2.94Å; Q140-L143 VanDerWaalsContact O-N 3.12Å; I141-L143 VanDerWaalsContact C-N 3.32Å; I141-L143 PolarHBondContact O-N 3.42Å; L143-T145 PolarHBondContact O-N 2.87Å; L143-A146 PolarHBondContact O-N 3.12Å
144	A	91.9	Very high	80.1	Confident	32 Å²	32	76.8 Å²	76.8	26%	0.264	39%	0.39	S	S	.	.	H	α-helix	trans	-59.9	-28.9	178.6	0	0	0	0	0	113.1	Q140 I141 G176	Q140-A144 WeakPolarHBondContact O-CB 3.46Å; Q140-A144 PolarHBondContact O-N 2.86Å; I141-A144 PolarHBondContact O-N 3.49Å; A144-G176 WeakPolarHBondContact O-CA 3.24Å
145	T	89.8	Confident	79	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.006	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	21.4	174.6	62.2	0	0	0	0	113.6	I141 L143 S147 G176 R180 T183 T479 R482	I141-T145 WeakPolarHBondContact O-CB 3.48Å; I141-T145 WeakPolarHBondContact O-CG2 3.5Å; I141-T145 PolarHBondContact O-N 3.04Å; I141-T145 PolarHBondContact O-OG1 2.78Å; L143-T145 PolarHBondContact O-N 2.87Å; T145-S147 PolarHBondContact O-N 3.15Å; T145-S147 PolarHBondContact O-OG 2.72Å; T145-S147 PolarHBondContact OG1-OG 2.74Å; T145-G176 CarbonylContact C-O 3.49Å; T145-G176 WeakPolarHBondContact CA-O 3.21Å; T145-R180 WeakPolarHBondContact O-CB 3.45Å; T145-T183 HydrophobicContact CG2-CG2 4.46Å; T145-T479 WeakPolarHBondContact CG2-O 3.4Å; T145-R482 HydrophobicContact CG2-CB 4.36Å
146	A	84.9	Confident	78.1	Confident	31 Å²	31	72.4 Å²	72.4	26%	0.256	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	21.9	179	0	0	0	0	0	115.6	L142 L143 E177 R180	L142-A146 CarbonylContact O-C 3.58Å; L142-A146 PolarHBondContact O-N 3.03Å; L143-A146 PolarHBondContact O-N 3.12Å; A146-E177 HydrophobicContact CB-CG 3.77Å; A146-R180 VanDerWaalsContact C-NH1 3.3Å; A146-R180 PolarHBondContact O-NH1 2.85Å
147	S	80.6	Confident	77.5	Confident	38 Å²	38	73.5 Å²	73.5	27%	0.266	39%	0.394	S	S	.	.			trans	-99.8	0.1	-169.4	-65.9	0	0	0	0	113.4	L142 T145 A149 R180	L142-S147 CarbonylContact O-C 3.6Å; L142-S147 WeakPolarHBondContact O-CA 3.29Å; L142-S147 PolarHBondContact O-N 3.37Å; T145-S147 PolarHBondContact O-N 3.15Å; T145-S147 PolarHBondContact O-OG 2.72Å; T145-S147 PolarHBondContact OG1-OG 2.74Å; S147-A149 PolarHBondContact O-N 2.64Å; S147-A149 VanDerWaalsContact O-N 3.09Å; S147-R180 WeakPolarHBondContact OG-CD 3.4Å
148	S	63.6	Low	76.8	Confident	64 Å²	64	77 Å²	77	45%	0.448	41%	0.41	S	S	.	.			trans	-67.2	0.6	174.9	-170.6	0	0	0	0	114.7	L142 L150	L142-S148 PolarHBondContact O-N 2.85Å; S148-L150 PolarHBondContact O-N 3.1Å
149	A	53.3	Low	76.1	Confident	66 Å²	66	73.7 Å²	73.7	55%	0.545	40%	0.398	S	S	.	.			trans	-79.2	102.6	-177.9	0	0	0	0	0	112.2	S147 K151	S147-A149 PolarHBondContact O-N 2.64Å; S147-A149 VanDerWaalsContact O-N 3.09Å; A149-K151 PolarHBondContact O-N 3.08Å
150	L	47.8	Very low	75.5	Confident	179 Å²	179	72.5 Å²	72.5	94%	0.937	39%	0.389	S	S	*	.	S	Bend	trans	-63.3	5.7	172	-88.1	159.9	0	0	0	115.1	S148	S148-L150 PolarHBondContact O-N 3.1Å
151	K	45.3	Very low	74.9	Confident	185 Å²	185	73.7 Å²	73.7	80%	0.804	40%	0.398	S	S	*	.	S	Bend	trans	-125.4	104.4	178.2	-68.6	-175.6	178.1	-179	0	108.9	A149	A149-K151 PolarHBondContact O-N 3.08Å
152	S	50.1	Low	74.3	Confident	68 Å²	68	75.8 Å²	75.8	48%	0.476	41%	0.408	S	S	.	.			trans	66.4	117.9	-178.8	-175.6	0	0	0	0	116.4	H154	S152-H154 VanDerWaalsContact CB-NE2 3.27Å; S152-H154 WeakPolarHBondContact CB-NE2 3.39Å; S152-H154 PolarHBondContact O-N 2.81Å; S152-H154 PolarHBondContact OG-CD2 3.43Å; S152-H154 VanDerWaalsContact OG-CD2 3.32Å; S152-H154 PolarHBondContact OG-CE1 2.65Å; S152-H154 VanDerWaalsContact OG-CE1 3.26Å; S152-H154 VanDerWaalsContact OG-CG 3.31Å; S152-H154 PolarHBondContact OG-N 2.78Å; S152-H154 PolarHBondContact OG-ND1 3.43Å; S152-H154 PolarHBondContact OG-NE2 3.24Å
153	R	56.4	Low	73.7	Confident	259 Å²	259	78.4 Å²	78.4	98%	0.977	42%	0.415	S	S	*	.			trans	-73.8	76.8	156.4	-74.7	-179.5	170.8	178.5	-3.8	108.6	S155	R153-S155 PolarHBondContact O-N 3.06Å
154	H	64.8	Low	73.4	Confident	76 Å²	76	79.2 Å²	79.2	35%	0.352	42%	0.415	S	S	.	.			trans	-61.6	122.1	173.3	-65.8	-79.8	0	0	0	109.7	S152 H158 M159	S152-H154 VanDerWaalsContact CB-NE2 3.27Å; S152-H154 WeakPolarHBondContact CB-NE2 3.39Å; S152-H154 PolarHBondContact O-N 2.81Å; S152-H154 PolarHBondContact OG-CD2 3.43Å; S152-H154 VanDerWaalsContact OG-CD2 3.32Å; S152-H154 PolarHBondContact OG-CE1 2.65Å; S152-H154 VanDerWaalsContact OG-CE1 3.26Å; S152-H154 VanDerWaalsContact OG-CG 3.31Å; S152-H154 PolarHBondContact OG-N 2.78Å; S152-H154 PolarHBondContact OG-ND1 3.43Å; S152-H154 PolarHBondContact OG-NE2 3.24Å; H154-H158 HydrophobicContact CB-CB 4.23Å; H154-H158 AromaticContact CE1-CE1 3.49Å; H154-H158 PolarHBondContact CE1-CE1 2.95Å; H154-H158 VanDerWaalsContact CE1-CE1 3.49Å; H154-H158 AromaticContact CE1-NE2 3.47Å; H154-H158 PolarHBondContact CE1-NE2 3.36Å; H154-H158 AromaticContact ND1-CD2 3.26Å; H154-H158 PolarHBondContact ND1-CD2 3.06Å; H154-H158 VanDerWaalsContact ND1-CD2 3.26Å; H154-H158 AromaticContact ND1-CE1 3.12Å; H154-H158 PolarHBondContact ND1-CE1 2.82Å; H154-H158 AromaticContact ND1-CG 3.42Å; H154-H158 AromaticContact ND1-ND1 3.31Å; H154-H158 PolarHBondContact ND1-ND1 3.24Å; H154-H158 AromaticContact ND1-NE2 3.03Å; H154-H158 PolarHBondContact ND1-NE2 3.39Å; H154-M159 HydrophobicContact CB-CG 4.45Å
155	S	73.8	Confident	73	Confident	64 Å²	64	82.6 Å²	82.6	45%	0.448	43%	0.426	S	S	.	.			trans	-55.1	153	167.8	173.9	0	0	0	0	110.5	R153 T157 H158 M159	R153-S155 PolarHBondContact O-N 3.06Å; S155-T157 WeakPolarHBondContact CB-OG1 3.32Å; S155-T157 PolarHBondContact O-N 2.85Å; S155-T157 PolarHBondContact OG-N 3.06Å; S155-T157 PolarHBondContact OG-OG1 3.4Å; S155-H158 CarbonylContact O-C 3.57Å; S155-H158 WeakPolarHBondContact O-CA 3.31Å; S155-H158 WeakPolarHBondContact O-CB 3.41Å; S155-H158 PolarHBondContact O-N 2.91Å; S155-M159 PolarHBondContact O-N 3.08Å
156	F	77.5	Confident	72.5	Confident	50 Å²	50	85.7 Å²	85.7	22%	0.219	46%	0.458	C	S	.	.	H	α-helix	trans	-50.7	-40.9	168.2	168.1	-131.9	0	0	0	112	H158 M159 L160 I181 F185	F156-H158 VanDerWaalsContact C-N 3.31Å; F156-H158 PolarHBondContact O-N 2.69Å; F156-M159 WeakPolarHBondContact O-CB 3.23Å; F156-M159 PolarHBondContact O-N 3.16Å; F156-M159 VanDerWaalsContact O-N 3.1Å; F156-L160 HydrophobicContact CD2-CD1 4.35Å; F156-L160 HydrophobicContact CD2-CG 4.12Å; F156-L160 HydrophobicContact CE1-CD1 3.95Å; F156-L160 HydrophobicContact CE2-CD1 3.76Å; F156-L160 HydrophobicContact CE2-CD2 3.85Å; F156-L160 HydrophobicContact CE2-CG 3.61Å; F156-L160 HydrophobicContact CZ-CD1 3.55Å; F156-L160 HydrophobicContact CZ-CD2 4.18Å; F156-L160 HydrophobicContact CZ-CG 3.94Å; F156-L160 PolarHBondContact O-N 3.46Å; F156-I181 HydrophobicContact CD2-CB 4.35Å; F156-I181 HydrophobicContact CD2-CD1 4.07Å; F156-I181 HydrophobicContact CD2-CG1 3.61Å; F156-I181 HydrophobicContact CD2-CG2 3.97Å; F156-I181 HydrophobicContact CE2-CB 4.29Å; F156-I181 HydrophobicContact CE2-CD1 3.86Å; F156-I181 HydrophobicContact CE2-CG1 3.76Å; F156-I181 HydrophobicContact CE2-CG2 3.53Å; F156-I181 HydrophobicContact CZ-CG2 3.88Å; F156-F185 HydrophobicContact CD1-CE2 4.45Å; F156-F185 HydrophobicContact CD1-CZ 4.21Å; F156-F185 HydrophobicContact CE1-CE2 4Å; F156-F185 AromaticContact CE1-CZ 3.75Å; F156-F185 HydrophobicContact CE1-CZ 3.75Å; F156-F185 HydrophobicContact CZ-CE2 4.38Å; F156-F185 HydrophobicContact CZ-CZ 4.47Å
157	T	81.8	Confident	72	Confident	90 Å²	90	91.4 Å²	91.4	55%	0.552	47%	0.472	S	S	*	.	H	α-helix	trans	-59.5	-40.8	174.5	53.1	0	0	0	0	112.2	S155 L160 T161	S155-T157 WeakPolarHBondContact CB-OG1 3.32Å; S155-T157 PolarHBondContact O-N 2.85Å; S155-T157 PolarHBondContact OG-N 3.06Å; S155-T157 PolarHBondContact OG-OG1 3.4Å; T157-L160 PolarHBondContact O-N 2.82Å; T157-T161 PolarHBondContact O-N 3.1Å; T157-T161 PolarHBondContact O-OG1 2.87Å
158	H	82.1	Confident	71.4	Confident	72 Å²	72	90.9 Å²	90.9	33%	0.333	47%	0.469	S	S	.	.	H	α-helix	trans	-68.7	-34.1	175.3	-169.8	-33.6	0	0	0	112	H154 S155 F156 T161 E162	H154-H158 HydrophobicContact CB-CB 4.23Å; H154-H158 AromaticContact CE1-CE1 3.49Å; H154-H158 PolarHBondContact CE1-CE1 2.95Å; H154-H158 VanDerWaalsContact CE1-CE1 3.49Å; H154-H158 AromaticContact CE1-NE2 3.47Å; H154-H158 PolarHBondContact CE1-NE2 3.36Å; H154-H158 AromaticContact ND1-CD2 3.26Å; H154-H158 PolarHBondContact ND1-CD2 3.06Å; H154-H158 VanDerWaalsContact ND1-CD2 3.26Å; H154-H158 AromaticContact ND1-CE1 3.12Å; H154-H158 PolarHBondContact ND1-CE1 2.82Å; H154-H158 AromaticContact ND1-CG 3.42Å; H154-H158 AromaticContact ND1-ND1 3.31Å; H154-H158 PolarHBondContact ND1-ND1 3.24Å; H154-H158 AromaticContact ND1-NE2 3.03Å; H154-H158 PolarHBondContact ND1-NE2 3.39Å; S155-H158 CarbonylContact O-C 3.57Å; S155-H158 WeakPolarHBondContact O-CA 3.31Å; S155-H158 WeakPolarHBondContact O-CB 3.41Å; S155-H158 PolarHBondContact O-N 2.91Å; F156-H158 VanDerWaalsContact C-N 3.31Å; F156-H158 PolarHBondContact O-N 2.69Å; H158-T161 PolarHBondContact O-N 2.84Å; H158-E162 VanDerWaalsContact CE1-CG 3.41Å; H158-E162 WeakPolarHBondContact CE1-CG 3.34Å; H158-E162 IonicContact CE1-OE1 3.81Å; H158-E162 VanDerWaalsContact ND1-CG 3.3Å; H158-E162 WeakPolarHBondContact ND1-CG 3.34Å; H158-E162 WeakPolarHBondContact O-CG 3.23Å; H158-E162 PolarHBondContact O-N 3.36Å
159	M	81.6	Confident	71.4	Confident	9 Å²	9	100.5 Å²	100.5	4%	0.044	50%	0.495	C	S	.	.	H	α-helix	trans	-63.4	-43.9	172.8	-63.9	173.6	59.8	0	0	111.5	H154 S155 F156 E162 R163 F173 E177 R180 I181	H154-M159 HydrophobicContact CB-CG 4.45Å; S155-M159 PolarHBondContact O-N 3.08Å; F156-M159 WeakPolarHBondContact O-CB 3.23Å; F156-M159 PolarHBondContact O-N 3.16Å; F156-M159 VanDerWaalsContact O-N 3.1Å; M159-E162 PolarHBondContact O-N 3.13Å; M159-R163 WeakPolarHBondContact O-CB 3.24Å; M159-R163 PolarHBondContact O-N 2.71Å; M159-F173 HydrophobicContact CB-CE1 3.93Å; M159-F173 HydrophobicContact CB-CZ 4.12Å; M159-F173 HydrophobicContact CE-CD1 4.2Å; M159-F173 HydrophobicContact CE-CE1 4.17Å; M159-F173 WeakPolarHBondContact O-CE1 3.35Å; M159-E177 HydrophobicContact CE-CB 3.63Å; M159-E177 HydrophobicContact CE-CG 3.8Å; M159-R180 PolarHBondContact SD-NE 3.38Å; M159-R180 PolarHBondContact SD-NH2 3.07Å; M159-I181 HydrophobicContact CE-CD1 3.88Å; M159-I181 HydrophobicContact CE-CG1 3.96Å; M159-I181 HydrophobicContact SD-CG1 4.44Å
160	L	82.5	Confident	72	Confident	50 Å²	50	99.7 Å²	99.7	26%	0.262	49%	0.494	S	S	.	.	H	α-helix	trans	-60.5	-48.1	174.2	-70.7	174.1	0	0	0	111.4	F156 T157 E162 R163 E164 F173	F156-L160 HydrophobicContact CD2-CD1 4.35Å; F156-L160 HydrophobicContact CD2-CG 4.12Å; F156-L160 HydrophobicContact CE1-CD1 3.95Å; F156-L160 HydrophobicContact CE2-CD1 3.76Å; F156-L160 HydrophobicContact CE2-CD2 3.85Å; F156-L160 HydrophobicContact CE2-CG 3.61Å; F156-L160 HydrophobicContact CZ-CD1 3.55Å; F156-L160 HydrophobicContact CZ-CD2 4.18Å; F156-L160 HydrophobicContact CZ-CG 3.94Å; F156-L160 PolarHBondContact O-N 3.46Å; T157-L160 PolarHBondContact O-N 2.82Å; L160-E162 PolarHBondContact O-N 2.82Å; L160-R163 WeakPolarHBondContact O-CB 3.29Å; L160-R163 PolarHBondContact O-N 3.26Å; L160-E164 WeakPolarHBondContact O-CB 3.28Å; L160-E164 WeakPolarHBondContact O-CG 3.38Å; L160-E164 PolarHBondContact O-N 2.92Å; L160-F173 HydrophobicContact CD2-CE2 4.08Å; L160-F173 HydrophobicContact CD2-CZ 4.11Å
161	T	84.4	Confident	73.1	Confident	58 Å²	58	97.1 Å²	97.1	36%	0.356	49%	0.49	S	S	.	.	H	α-helix	trans	-60.3	-42.2	178.8	-57.8	0	0	0	0	112.7	T157 H158 R163 E164 Q165	T157-T161 PolarHBondContact O-N 3.1Å; T157-T161 PolarHBondContact O-OG1 2.87Å; H158-T161 PolarHBondContact O-N 2.84Å; T161-R163 VanDerWaalsContact C-N 3.35Å; T161-E164 PolarHBondContact O-N 3.39Å; T161-Q165 HydrophobicContact CG2-CG 4.46Å; T161-Q165 WeakPolarHBondContact O-CB 3.42Å; T161-Q165 VanDerWaalsContact O-CG 3.27Å; T161-Q165 WeakPolarHBondContact O-CG 3.39Å; T161-Q165 PolarHBondContact O-N 3.22Å
162	E	81.9	Confident	74.9	Confident	45 Å²	45	92.1 Å²	92.1	21%	0.21	48%	0.479	C	S	.	.	H	α-helix	trans	-69.1	-33	177.4	-70.1	-73.5	112.7	0	0	112.2	H158 M159 L160 G166 R167 C168	H158-E162 VanDerWaalsContact CE1-CG 3.41Å; H158-E162 WeakPolarHBondContact CE1-CG 3.34Å; H158-E162 IonicContact CE1-OE1 3.81Å; H158-E162 VanDerWaalsContact ND1-CG 3.3Å; H158-E162 WeakPolarHBondContact ND1-CG 3.34Å; H158-E162 WeakPolarHBondContact O-CG 3.23Å; H158-E162 PolarHBondContact O-N 3.36Å; M159-E162 PolarHBondContact O-N 3.13Å; L160-E162 PolarHBondContact O-N 2.82Å; E162-G166 PolarHBondContact O-N 3.12Å; E162-R167 HydrophobicContact CB-CB 4.26Å; E162-R167 PolarHBondContact O-N 2.96Å; E162-R167 WeakPolarHBondContact OE1-CD 3.4Å; E162-R167 IonicContact OE1-CZ 3.69Å; E162-R167 IonicContact OE1-NE 3.88Å; E162-R167 IonicContact OE1-NH1 2.75Å; E162-R167 PolarHBondContact OE1-NH1 3.19Å; E162-R167 VanDerWaalsContact OE2-CB 3.24Å; E162-R167 WeakPolarHBondContact OE2-CB 3.36Å; E162-R167 WeakPolarHBondContact OE2-CD 3.29Å; E162-C168 PolarHBondContact O-N 2.9Å
163	R	82.1	Confident	76.6	Confident	100 Å²	100	90.6 Å²	90.6	38%	0.377	46%	0.464	S	S	.	.	H	α-helix	trans	-65.8	-45	172.2	-174	-164.2	64	87.8	7	111.4	M159 L160 T161 Q165 G166 C168 F173	M159-R163 WeakPolarHBondContact O-CB 3.24Å; M159-R163 PolarHBondContact O-N 2.71Å; L160-R163 WeakPolarHBondContact O-CB 3.29Å; L160-R163 PolarHBondContact O-N 3.26Å; T161-R163 VanDerWaalsContact C-N 3.35Å; R163-Q165 VanDerWaalsContact C-N 3.33Å; R163-Q165 PolarHBondContact O-N 3.4Å; R163-G166 PolarHBondContact O-N 3.28Å; R163-G166 VanDerWaalsContact O-N 3.12Å; R163-C168 WeakPolarHBondContact CA-SG 3.36Å; R163-F173 HydrophobicContact CB-CE1 3.99Å; R163-F173 HydrophobicContact CB-CZ 3.98Å; R163-F173 HydrophobicContact CG-CE1 4.42Å; R163-F173 HydrophobicContact CG-CZ 4.35Å
164	E	84.6	Confident	78	Confident	126 Å²	126	81.1 Å²	81.1	59%	0.589	44%	0.437	S	S	*	.	H	α-helix	trans	-67.3	-32.4	178.4	-76.5	155.8	-162.3	0	0	112.7	L160 T161 G166	L160-E164 WeakPolarHBondContact O-CB 3.28Å; L160-E164 WeakPolarHBondContact O-CG 3.38Å; L160-E164 PolarHBondContact O-N 2.92Å; T161-E164 PolarHBondContact O-N 3.39Å; E164-G166 VanDerWaalsContact C-N 3.25Å; E164-G166 PolarHBondContact O-N 3.14Å
165	Q	84.9	Confident	79.1	Confident	104 Å²	104	82.2 Å²	82.2	49%	0.486	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	5.6	173.2	-66.4	179.7	20.8	0	0	113.5	T161 R163 R167	T161-Q165 HydrophobicContact CG2-CG 4.46Å; T161-Q165 WeakPolarHBondContact O-CB 3.42Å; T161-Q165 VanDerWaalsContact O-CG 3.27Å; T161-Q165 WeakPolarHBondContact O-CG 3.39Å; T161-Q165 PolarHBondContact O-N 3.22Å; R163-Q165 VanDerWaalsContact C-N 3.33Å; R163-Q165 PolarHBondContact O-N 3.4Å; Q165-R167 VanDerWaalsContact C-N 3.27Å; Q165-R167 HydrophobicContact CB-CG 4.21Å; Q165-R167 PolarHBondContact O-N 2.87Å; Q165-R167 VanDerWaalsContact OE1-NH2 3.08Å
166	G	79.3	Confident	79.8	Confident	65 Å²	65	79.7 Å²	79.7	67%	0.67	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	20.6	177.5	0	0	0	0	0	115	E162 R163 E164	E162-G166 PolarHBondContact O-N 3.12Å; R163-G166 PolarHBondContact O-N 3.28Å; R163-G166 VanDerWaalsContact O-N 3.12Å; E164-G166 VanDerWaalsContact C-N 3.25Å; E164-G166 PolarHBondContact O-N 3.14Å
167	R	74.4	Confident	80.4	Confident	151 Å²	151	79.5 Å²	79.5	57%	0.57	43%	0.427	S	S	*	.			trans	-93.4	-13.6	-176.5	-64.2	174.1	179.2	174.1	2.6	113.9	E162 Q165	E162-R167 HydrophobicContact CB-CB 4.26Å; E162-R167 PolarHBondContact O-N 2.96Å; E162-R167 WeakPolarHBondContact OE1-CD 3.4Å; E162-R167 IonicContact OE1-CZ 3.69Å; E162-R167 IonicContact OE1-NE 3.88Å; E162-R167 IonicContact OE1-NH1 2.75Å; E162-R167 PolarHBondContact OE1-NH1 3.19Å; E162-R167 VanDerWaalsContact OE2-CB 3.24Å; E162-R167 WeakPolarHBondContact OE2-CB 3.36Å; E162-R167 WeakPolarHBondContact OE2-CD 3.29Å; Q165-R167 VanDerWaalsContact C-N 3.27Å; Q165-R167 HydrophobicContact CB-CG 4.21Å; Q165-R167 PolarHBondContact O-N 2.87Å; Q165-R167 VanDerWaalsContact OE1-NH2 3.08Å
168	C	67.6	Low	80.7	Confident	28 Å²	28	77.6 Å²	77.6	19%	0.189	42%	0.416	C	S	.	.	S	Bend	trans	-56.9	148.6	168.6	-76.1	0	0	0	0	111.3	E162 R163 G170	E162-C168 PolarHBondContact O-N 2.9Å; R163-C168 WeakPolarHBondContact CA-SG 3.36Å; C168-G170 PolarHBondContact O-N 2.83Å
169	R	64.3	Low	81.1	Confident	265 Å²	265	74.2 Å²	74.2	100%	1	40%	0.401	S	S	*	.	S	Bend	trans	-79.1	60.5	176.1	-70	-174.6	172.6	-164.2	-3	111.3
170	G	66.1	Low	81.5	Confident	50 Å²	50	75.7 Å²	75.7	52%	0.515	41%	0.406	S	S	.	.	S	Bend	trans	141.5	171	-173.9	0	0	0	0	0	111.7	C168 S172	C168-G170 PolarHBondContact O-N 2.83Å; G170-S172 VanDerWaalsContact C-N 3.28Å; G170-S172 PolarHBondContact O-N 2.92Å
171	S	70.6	Confident	81.8	Confident	124 Å²	124	74.4 Å²	74.4	87%	0.867	40%	0.399	S	S	*	.	S	Bend	trans	-79.3	-7.2	178.2	48.6	0	0	0	0	114.2
172	S	81.3	Confident	82	Confident	81 Å²	81	74.8 Å²	74.8	57%	0.566	39%	0.394	S	S	*	.	S	Bend	trans	-139.5	164.5	-177.4	56.4	0	0	0	0	111.4	G170	G170-S172 VanDerWaalsContact C-N 3.28Å; G170-S172 PolarHBondContact O-N 2.92Å
173	F	85.8	Confident	82.3	Confident	35 Å²	35	73.2 Å²	73.2	15%	0.154	39%	0.387	C	S	.	.			trans	-70	145.4	167.3	-65.9	-51.9	0	0	0	110.7	M159 L160 R163 E177 I181	M159-F173 HydrophobicContact CB-CE1 3.93Å; M159-F173 HydrophobicContact CB-CZ 4.12Å; M159-F173 HydrophobicContact CE-CD1 4.2Å; M159-F173 HydrophobicContact CE-CE1 4.17Å; M159-F173 WeakPolarHBondContact O-CE1 3.35Å; L160-F173 HydrophobicContact CD2-CE2 4.08Å; L160-F173 HydrophobicContact CD2-CZ 4.11Å; R163-F173 HydrophobicContact CB-CE1 3.99Å; R163-F173 HydrophobicContact CB-CZ 3.98Å; R163-F173 HydrophobicContact CG-CE1 4.42Å; R163-F173 HydrophobicContact CG-CZ 4.35Å; F173-E177 HydrophobicContact CB-CB 3.95Å; F173-E177 HydrophobicContact CD1-CB 4.43Å; F173-E177 HydrophobicContact CG-CB 4.44Å; F173-I181 HydrophobicContact CD2-CD1 3.57Å; F173-I181 HydrophobicContact CE2-CD1 3.61Å; F173-I181 HydrophobicContact CG-CD1 4.13Å; F173-I181 HydrophobicContact CZ-CD1 4.2Å
174	S	87.1	Confident	82.5	Confident	60 Å²	60	74 Å²	74	42%	0.42	40%	0.395	S	S	.	.			trans	-68.5	161.5	169.2	63.1	0	0	0	0	111.6	G176 E177 C178	S174-G176 PolarHBondContact O-N 2.88Å; S174-E177 WeakPolarHBondContact CB-OE2 3.46Å; S174-E177 PolarHBondContact N-OE2 3Å; S174-E177 WeakPolarHBondContact O-CB 3.34Å; S174-E177 PolarHBondContact O-N 3.13Å; S174-E177 VanDerWaalsContact OG-CG 3.3Å; S174-E177 WeakPolarHBondContact OG-CG 3.29Å; S174-E177 PolarHBondContact OG-OE2 2.89Å; S174-C178 PolarHBondContact O-N 3.31Å
175	H	88.5	Confident	82.8	Confident	99 Å²	99	71 Å²	71	46%	0.458	38%	0.38	S	S	.	.	H	α-helix	trans	-54.5	-48.6	-178.5	-179.8	62.8	0	0	0	112.4	E177 C178 S179 F477	H175-E177 VanDerWaalsContact C-N 3.28Å; H175-E177 PolarHBondContact O-N 3.24Å; H175-C178 CarbonylContact O-C 3.53Å; H175-C178 WeakPolarHBondContact O-CA 3.45Å; H175-C178 VanDerWaalsContact O-CB 3.3Å; H175-C178 WeakPolarHBondContact O-CB 3.38Å; H175-C178 PolarHBondContact O-N 3.09Å; H175-S179 PolarHBondContact O-N 2.9Å; H175-S179 PolarHBondContact O-OG 3.39Å; H175-S179 VanDerWaalsContact O-OG 3.09Å; H175-F477 AromaticContact CE1-CD2 3.42Å; H175-F477 VanDerWaalsContact CE1-CD2 3.42Å; H175-F477 WeakPolarHBondContact CE1-CD2 3.33Å; H175-F477 AromaticContact CE1-CE2 3.62Å; H175-F477 AromaticContact CE1-CG 3.69Å; H175-F477 PolarHBondContact CE1-O 2.73Å; H175-F477 VanDerWaalsContact CE1-O 3.22Å; H175-F477 AromaticContact NE2-CD2 4Å; H175-F477 PolarHBondContact NE2-O 2.87Å
176	G	88.6	Confident	83.2	Confident	12 Å²	12	67.3 Å²	67.3	12%	0.124	36%	0.363	C	S	.	.	H	α-helix	trans	-69.6	-21	178.9	0	0	0	0	0	115	A144 T145 S174 R180	A144-G176 WeakPolarHBondContact O-CA 3.24Å; T145-G176 CarbonylContact C-O 3.49Å; T145-G176 WeakPolarHBondContact CA-O 3.21Å; S174-G176 PolarHBondContact O-N 2.88Å; G176-R180 WeakPolarHBondContact O-CB 3.28Å; G176-R180 PolarHBondContact O-N 2.87Å
177	E	88.3	Confident	84	Confident	46 Å²	46	64.2 Å²	64.2	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-72	-40.6	166.6	-75.9	172.3	118.7	0	0	111.1	A146 M159 F173 S174 H175 R180 I181	A146-E177 HydrophobicContact CB-CG 3.77Å; M159-E177 HydrophobicContact CE-CB 3.63Å; M159-E177 HydrophobicContact CE-CG 3.8Å; F173-E177 HydrophobicContact CB-CB 3.95Å; F173-E177 HydrophobicContact CD1-CB 4.43Å; F173-E177 HydrophobicContact CG-CB 4.44Å; S174-E177 WeakPolarHBondContact CB-OE2 3.46Å; S174-E177 PolarHBondContact N-OE2 3Å; S174-E177 WeakPolarHBondContact O-CB 3.34Å; S174-E177 PolarHBondContact O-N 3.13Å; S174-E177 VanDerWaalsContact OG-CG 3.3Å; S174-E177 WeakPolarHBondContact OG-CG 3.29Å; S174-E177 PolarHBondContact OG-OE2 2.89Å; H175-E177 VanDerWaalsContact C-N 3.28Å; H175-E177 PolarHBondContact O-N 3.24Å; E177-R180 WeakPolarHBondContact O-CB 3.48Å; E177-R180 PolarHBondContact O-N 2.78Å; E177-I181 WeakPolarHBondContact O-CD1 3.46Å; E177-I181 WeakPolarHBondContact O-CG1 3.39Å; E177-I181 PolarHBondContact O-N 2.67Å
178	C	89.5	Confident	84.9	Confident	49 Å²	49	60.9 Å²	60.9	33%	0.331	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-44.8	171.7	-66.8	0	0	0	0	111.8	S174 H175 R180 I181 R182	S174-C178 PolarHBondContact O-N 3.31Å; H175-C178 CarbonylContact O-C 3.53Å; H175-C178 WeakPolarHBondContact O-CA 3.45Å; H175-C178 VanDerWaalsContact O-CB 3.3Å; H175-C178 WeakPolarHBondContact O-CB 3.38Å; H175-C178 PolarHBondContact O-N 3.09Å; C178-R180 VanDerWaalsContact C-N 3.34Å; C178-R180 PolarHBondContact O-N 3.36Å; C178-I181 WeakPolarHBondContact O-CB 3.41Å; C178-I181 PolarHBondContact O-N 3.3Å; C178-R182 WeakPolarHBondContact O-CG 3.26Å; C178-R182 PolarHBondContact O-N 2.89Å
179	S	90.9	Very high	86.2	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.007	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-37.6	175.7	-43.9	0	0	0	0	111.3	H175 R182 T183 F477 S478	H175-S179 PolarHBondContact O-N 2.9Å; H175-S179 PolarHBondContact O-OG 3.39Å; H175-S179 VanDerWaalsContact O-OG 3.09Å; S179-R182 PolarHBondContact O-N 2.82Å; S179-T183 WeakPolarHBondContact O-CG2 3.43Å; S179-T183 PolarHBondContact O-N 2.81Å; S179-F477 PolarHBondContact OG-O 3.04Å; S179-S478 WeakPolarHBondContact CA-O 3.4Å
180	R	89.3	Confident	87.8	Confident	40 Å²	40	53.6 Å²	53.6	15%	0.151	30%	0.3	C	S	.	.	H	α-helix	trans	-58.7	-47.9	169.8	-179.4	164.3	68.5	-147.2	-1.7	112.2	T145 A146 S147 M159 G176 E177 C178 R182 T183 H184	T145-R180 WeakPolarHBondContact O-CB 3.45Å; A146-R180 VanDerWaalsContact C-NH1 3.3Å; A146-R180 PolarHBondContact O-NH1 2.85Å; S147-R180 WeakPolarHBondContact OG-CD 3.4Å; M159-R180 PolarHBondContact SD-NE 3.38Å; M159-R180 PolarHBondContact SD-NH2 3.07Å; G176-R180 WeakPolarHBondContact O-CB 3.28Å; G176-R180 PolarHBondContact O-N 2.87Å; E177-R180 WeakPolarHBondContact O-CB 3.48Å; E177-R180 PolarHBondContact O-N 2.78Å; C178-R180 VanDerWaalsContact C-N 3.34Å; C178-R180 PolarHBondContact O-N 3.36Å; R180-R182 PolarHBondContact O-N 3.33Å; R180-T183 PolarHBondContact O-N 2.82Å; R180-T183 PolarHBondContact O-OG1 3.11Å; R180-H184 PolarHBondContact O-CD2 3.21Å; R180-H184 VanDerWaalsContact O-CD2 3.32Å
181	I	87.9	Confident	89.2	Confident	24 Å²	24	52.1 Å²	52.1	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-49.5	179	-67.8	164.7	0	0	0	109.9	F156 M159 F173 E177 C178 T183 H184 F185	F156-I181 HydrophobicContact CD2-CB 4.35Å; F156-I181 HydrophobicContact CD2-CD1 4.07Å; F156-I181 HydrophobicContact CD2-CG1 3.61Å; F156-I181 HydrophobicContact CD2-CG2 3.97Å; F156-I181 HydrophobicContact CE2-CB 4.29Å; F156-I181 HydrophobicContact CE2-CD1 3.86Å; F156-I181 HydrophobicContact CE2-CG1 3.76Å; F156-I181 HydrophobicContact CE2-CG2 3.53Å; F156-I181 HydrophobicContact CZ-CG2 3.88Å; M159-I181 HydrophobicContact CE-CD1 3.88Å; M159-I181 HydrophobicContact CE-CG1 3.96Å; M159-I181 HydrophobicContact SD-CG1 4.44Å; F173-I181 HydrophobicContact CD2-CD1 3.57Å; F173-I181 HydrophobicContact CE2-CD1 3.61Å; F173-I181 HydrophobicContact CG-CD1 4.13Å; F173-I181 HydrophobicContact CZ-CD1 4.2Å; E177-I181 WeakPolarHBondContact O-CD1 3.46Å; E177-I181 WeakPolarHBondContact O-CG1 3.39Å; E177-I181 PolarHBondContact O-N 2.67Å; C178-I181 WeakPolarHBondContact O-CB 3.41Å; C178-I181 PolarHBondContact O-N 3.3Å; I181-T183 VanDerWaalsContact C-N 3.31Å; I181-T183 PolarHBondContact O-N 2.92Å; I181-H184 WeakPolarHBondContact O-CB 3.49Å; I181-H184 PolarHBondContact O-N 2.9Å; I181-H184 VanDerWaalsContact O-N 3.12Å; I181-F185 HydrophobicContact CG2-CD2 4.4Å; I181-F185 HydrophobicContact CG2-CE2 3.93Å; I181-F185 VanDerWaalsContact O-CD2 3.26Å; I181-F185 WeakPolarHBondContact O-CD2 3.42Å
182	R	88.8	Confident	90.4	Very high	66 Å²	66	51.4 Å²	51.4	25%	0.249	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-36.5	176.5	-71.2	174.2	170.7	-127.5	13.8	113.3	C178 S179 R180 H184 F185 S478 Y522 D524	C178-R182 WeakPolarHBondContact O-CG 3.26Å; C178-R182 PolarHBondContact O-N 2.89Å; S179-R182 PolarHBondContact O-N 2.82Å; R180-R182 PolarHBondContact O-N 3.33Å; R182-H184 PolarHBondContact O-N 3.24Å; R182-F185 PolarHBondContact O-N 3.16Å; R182-S478 WeakPolarHBondContact CB-O 3.45Å; R182-S478 WeakPolarHBondContact CD-O 3.5Å; R182-Y522 PolarHBondContact NH1-O 2.88Å; R182-Y522 PolarHBondContact NH2-O 3.02Å; R182-D524 WeakPolarHBondContact CD-OD1 3.49Å; R182-D524 WeakPolarHBondContact CG-OD2 3.42Å; R182-D524 IonicContact CZ-OD1 3.49Å; R182-D524 IonicContact CZ-OD2 3.49Å; R182-D524 IonicContact NE-OD1 3.22Å; R182-D524 IonicContact NE-OD2 3.65Å; R182-D524 VanDerWaalsContact NH1-CG 3.33Å; R182-D524 IonicContact NH1-OD1 3.68Å; R182-D524 PolarHBondContact NH1-OD1 3.31Å; R182-D524 IonicContact NH1-OD2 2.6Å; R182-D524 PolarHBondContact NH1-OD2 3.31Å
183	T	88.4	Confident	91.1	Very high	12 Å²	12	51 Å²	51	7%	0.074	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.3	177.5	64.8	0	0	0	0	114.8	T145 S179 R180 I181 R482 F483	T145-T183 HydrophobicContact CG2-CG2 4.46Å; S179-T183 WeakPolarHBondContact O-CG2 3.43Å; S179-T183 PolarHBondContact O-N 2.81Å; R180-T183 PolarHBondContact O-N 2.82Å; R180-T183 PolarHBondContact O-OG1 3.11Å; I181-T183 VanDerWaalsContact C-N 3.31Å; I181-T183 PolarHBondContact O-N 2.92Å; T183-R482 HydrophobicContact CG2-CB 4.3Å; T183-F483 HydrophobicContact CG2-CE2 3.73Å; T183-F483 HydrophobicContact CG2-CZ 4.14Å
184	H	87.2	Confident	91.5	Very high	115 Å²	115	51.2 Å²	51.2	53%	0.532	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-22.1	169.2	-69.3	-78.6	0	0	0	113.8	R180 I181 R182 L186	R180-H184 PolarHBondContact O-CD2 3.21Å; R180-H184 VanDerWaalsContact O-CD2 3.32Å; I181-H184 WeakPolarHBondContact O-CB 3.49Å; I181-H184 PolarHBondContact O-N 2.9Å; I181-H184 VanDerWaalsContact O-N 3.12Å; R182-H184 PolarHBondContact O-N 3.24Å; H184-L186 PolarHBondContact O-N 2.85Å
185	F	90.6	Very high	91.9	Very high	63 Å²	63	52.1 Å²	52.1	28%	0.276	26%	0.258	S	S	.	.			trans	-105.2	57.4	-174	-59.7	-67.3	0	0	0	110.9	F156 I181 R182 H540	F156-F185 HydrophobicContact CD1-CE2 4.45Å; F156-F185 HydrophobicContact CD1-CZ 4.21Å; F156-F185 HydrophobicContact CE1-CE2 4Å; F156-F185 AromaticContact CE1-CZ 3.75Å; F156-F185 HydrophobicContact CE1-CZ 3.75Å; F156-F185 HydrophobicContact CZ-CE2 4.38Å; F156-F185 HydrophobicContact CZ-CZ 4.47Å; I181-F185 HydrophobicContact CG2-CD2 4.4Å; I181-F185 HydrophobicContact CG2-CE2 3.93Å; I181-F185 VanDerWaalsContact O-CD2 3.26Å; I181-F185 WeakPolarHBondContact O-CD2 3.42Å; R182-F185 PolarHBondContact O-N 3.16Å; F185-H540 HydrophobicContact CB-CB 4.25Å; F185-H540 AromaticContact CD1-CD2 3.79Å; F185-H540 AromaticContact CD1-NE2 3.56Å; F185-H540 WeakPolarHBondContact O-CB 3.27Å
186	L	93.8	Very high	92.2	Very high	27 Å²	27	47.8 Å²	47.8	14%	0.141	24%	0.238	C	C	.	.			trans	-61	146.6	171.5	-68.5	180	0	0	0	110.4	H184 N188 F483 V504 W519 H540	H184-L186 PolarHBondContact O-N 2.85Å; L186-N188 PolarHBondContact O-N 2.86Å; L186-F483 HydrophobicContact CD1-CZ 4.44Å; L186-F483 HydrophobicContact CD2-CD2 4.11Å; L186-F483 HydrophobicContact CD2-CE2 3.67Å; L186-F483 HydrophobicContact CD2-CZ 3.9Å; L186-F483 HydrophobicContact CG-CZ 4.45Å; L186-V504 HydrophobicContact CD1-CB 4.22Å; L186-V504 HydrophobicContact CD1-CG2 3.78Å; L186-W519 HydrophobicContact CD2-CH2 3.7Å; L186-W519 HydrophobicContact CD2-CZ2 4.42Å; L186-H540 PolarHBondContact O-ND1 3.07Å
187	P	94.8	Very high	92.2	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	27%	0.273	C	S	.	.			trans	-52.4	140.1	172.4	-29.2	36.9	0	0	0	112.5	L507 I526 W538 E539	P187-L507 HydrophobicContact CB-CD1 4.18Å; P187-L507 HydrophobicContact CB-CD2 4.47Å; P187-L507 WeakPolarHBondContact O-CD2 3.18Å; P187-I526 HydrophobicContact CG-CD1 4.01Å; P187-I526 HydrophobicContact CG-CG1 4.24Å; P187-W538 HydrophobicContact CB-CB 3.9Å; P187-E539 WeakPolarHBondContact CA-O 3.47Å
188	N	94.2	Very high	92.4	Very high	80 Å²	80	57.1 Å²	57.1	43%	0.428	28%	0.282	S	S	.	.			trans	-140.8	-19.1	-179.8	63.4	-18.2	0	0	0	112.5	L186 E539 H540 R541	L186-N188 PolarHBondContact O-N 2.86Å; N188-E539 PolarHBondContact N-O 3.49Å; N188-E539 VanDerWaalsContact N-O 3.13Å; N188-E539 PolarHBondContact OD1-O 2.96Å; N188-H540 WeakPolarHBondContact OD1-CA 3.34Å; N188-R541 PolarHBondContact ND2-O 2.88Å; N188-R541 PolarHBondContact OD1-N 2.92Å; N188-R541 PolarHBondContact OD1-O 3.31Å
189	Y	95.4	Very high	92.5	Very high	92 Å²	92	55.7 Å²	55.7	36%	0.361	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.5	178.6	-179.6	-91.4	0	0	0	111.1	W538 E539 R541	Y189-W538 VanDerWaalsContact O-CA 3.3Å; Y189-W538 WeakPolarHBondContact O-CA 3.48Å; Y189-E539 HydrophobicContact CD1-CG 4.22Å; Y189-E539 PolarHBondContact N-O 3.44Å; Y189-E539 PolarHBondContact O-N 2.98Å; Y189-E539 VanDerWaalsContact O-N 3.09Å; Y189-R541 HydrophobicContact CD1-CG 4.27Å; Y189-R541 VanDerWaalsContact CD1-NE 3.31Å; Y189-R541 HydrophobicContact CG-CG 4.02Å; Y189-R541 VanDerWaalsContact CZ-NH1 3.3Å
190	V	96.3	Very high	92.7	Very high	49 Å²	49	55.7 Å²	55.7	30%	0.297	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.5	178.2	69.1	0	0	0	0	111.9	R536 W538	V190-R536 HydrophobicContact CG2-CB 3.91Å; V190-R536 HydrophobicContact CG2-CG 4.37Å; V190-W538 HydrophobicContact CB-CD2 4.15Å; V190-W538 HydrophobicContact CB-CE3 3.52Å; V190-W538 HydrophobicContact CB-CH2 4.07Å; V190-W538 HydrophobicContact CB-CZ3 3.49Å; V190-W538 VanDerWaalsContact CB-CZ3 3.49Å; V190-W538 HydrophobicContact CG1-CZ3 4.29Å; V190-W538 HydrophobicContact CG2-CD2 3.78Å; V190-W538 HydrophobicContact CG2-CE3 3.61Å; V190-W538 HydrophobicContact CG2-CH2 3.62Å; V190-W538 HydrophobicContact CG2-CZ2 3.75Å; V190-W538 HydrophobicContact CG2-CZ3 3.55Å
191	S	95.4	Very high	92.9	Very high	19 Å²	19	53.8 Å²	53.8	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134	170.4	59.8	0	0	0	0	110.3	K193 R536 M537	S191-K193 WeakPolarHBondContact OG-CE 3.44Å; S191-R536 CarbonylContact O-C 3.55Å; S191-R536 WeakPolarHBondContact O-CA 3.4Å; S191-M537 PolarHBondContact N-O 3.12Å; S191-M537 PolarHBondContact O-N 3.2Å; S191-M537 PolarHBondContact OG-O 3.5Å
192	H	96	Very high	93.3	Very high	109 Å²	109	52.6 Å²	52.6	51%	0.505	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	145.6	169.7	-175.4	-79	0	0	0	110.3	D194 T195	H192-D194 PolarHBondContact CE1-O 2.9Å; H192-D194 PolarHBondContact NE2-O 2.77Å; H192-T195 PolarHBondContact CE1-OG1 2.84Å; H192-T195 VanDerWaalsContact CE1-OG1 3.24Å; H192-T195 PolarHBondContact NE2-OG1 2.87Å
193	K	96.1	Very high	93.7	Very high	71 Å²	71	49.5 Å²	49.5	31%	0.309	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	-43	179.7	-65.6	-61	178.9	-177	0	114.3	S191 F231 V535 M537	S191-K193 WeakPolarHBondContact OG-CE 3.44Å; K193-F231 HydrophobicContact CB-CD1 3.72Å; K193-F231 HydrophobicContact CB-CE1 3.67Å; K193-F231 HydrophobicContact CB-CG 4.43Å; K193-F231 HydrophobicContact CB-CZ 4.37Å; K193-F231 HydrophobicContact CD-CB 4Å; K193-F231 HydrophobicContact CD-CD1 3.96Å; K193-F231 HydrophobicContact CD-CG 3.98Å; K193-F231 HydrophobicContact CG-CD1 3.96Å; K193-F231 HydrophobicContact CG-CE1 4.22Å; K193-F231 HydrophobicContact CG-CG 4.18Å; K193-V535 HydrophobicContact CB-CG1 4.44Å; K193-V535 WeakPolarHBondContact CB-O 3.27Å; K193-V535 PolarHBondContact N-O 2.73Å; K193-M537 HydrophobicContact CD-CB 4.16Å; K193-M537 WeakPolarHBondContact CE-SD 3.47Å; K193-M537 HydrophobicContact CG-CB 3.68Å
194	D	95.7	Very high	94.1	Very high	41 Å²	41	50 Å²	50	22%	0.219	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	166.1	178.7	-149.9	-19.3	0	0	0	111.4	H192 Y196 Y224 A534 V535	H192-D194 PolarHBondContact CE1-O 2.9Å; H192-D194 PolarHBondContact NE2-O 2.77Å; D194-Y196 HydrophobicContact CB-CE1 4Å; D194-Y224 HydrophobicContact CB-CE1 4.43Å; D194-Y224 WeakPolarHBondContact OD2-CE1 3.48Å; D194-Y224 PolarHBondContact OD2-OH 3Å; D194-A534 WeakPolarHBondContact O-CA 3.48Å; D194-V535 HydrophobicContact CB-CB 4.32Å; D194-V535 PolarHBondContact N-O 2.64Å; D194-V535 PolarHBondContact O-N 2.86Å
195	T	95.4	Very high	94.6	Very high	78 Å²	78	45.3 Å²	45.3	48%	0.479	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	129.8	175.2	-64.5	0	0	0	0	111.6	H192 G533	H192-T195 PolarHBondContact CE1-OG1 2.84Å; H192-T195 VanDerWaalsContact CE1-OG1 3.24Å; H192-T195 PolarHBondContact NE2-OG1 2.87Å; T195-G533 WeakPolarHBondContact CA-O 3.37Å
196	Y	93	Very high	94.9	Very high	9 Å²	9	42.5 Å²	42.5	4%	0.035	22%	0.215	C	C	.	.			trans	-104.7	156	-179.3	-46.2	-28	0	0	0	109.7	D194 Q198 A200 S214 C216 R222 Y224 G533 V535	D194-Y196 HydrophobicContact CB-CE1 4Å; Y196-Q198 PolarHBondContact O-N 3.13Å; Y196-A200 HydrophobicContact CD2-CB 3.81Å; Y196-A200 HydrophobicContact CE2-CB 3.89Å; Y196-S214 WeakPolarHBondContact OH-CB 3.19Å; Y196-C216 HydrophobicContact CD2-CB 3.7Å; Y196-C216 HydrophobicContact CE2-CB 4.24Å; Y196-C216 HydrophobicContact CG-CB 4.43Å; Y196-R222 VanDerWaalsContact CD1-CZ 3.43Å; Y196-R222 VanDerWaalsContact CE1-NE 3.28Å; Y196-R222 VanDerWaalsContact CZ-CD 3.43Å; Y196-Y224 WeakPolarHBondContact CE1-OH 3Å; Y196-Y224 PolarHBondContact OH-OH 3.02Å; Y196-G533 PolarHBondContact N-O 2.91Å; Y196-V535 HydrophobicContact CE2-CG2 3.8Å; Y196-V535 WeakPolarHBondContact OH-CG2 3.35Å
197	L	88.6	Confident	94.9	Very high	166 Å²	166	48.3 Å²	48.3	87%	0.869	24%	0.241	S	C	*	.	S	Bend	trans	-73.9	-1	177.6	-61.7	175.9	0	0	0	113.5
198	Q	92.6	Very high	94.9	Very high	87 Å²	87	54.3 Å²	54.3	41%	0.407	27%	0.269	S	S	.	.	S	Bend	trans	-149	167.4	-172.3	-70.5	-64.7	-11.1	0	0	111	Y196 A200 C216 Q217 D218 G533	Y196-Q198 PolarHBondContact O-N 3.13Å; Q198-A200 PolarHBondContact O-N 3.17Å; Q198-C216 PolarHBondContact O-SG 2.67Å; Q198-Q217 HydrophobicContact CB-CB 4.1Å; Q198-D218 HydrophobicContact CB-CB 4.13Å; Q198-D218 HydrophobicContact CG-CB 4.1Å; Q198-G533 WeakPolarHBondContact O-CA 3.39Å
199	K	93.3	Very high	94.9	Very high	20 Å²	20	50.5 Å²	50.5	9%	0.087	25%	0.249	C	C	.	.			trans	-55.2	127.4	179	-61.2	165.2	-166.1	156.1	0	111.4	D108 F201 C216 Q217 W531	D108-K199 IonicContact OD1-NZ 3.25Å; D108-K199 PolarHBondContact OD1-NZ 3.48Å; D108-K199 IonicContact OD2-NZ 3.88Å; D108-K199 PolarHBondContact OD2-NZ 3.48Å; K199-F201 HydrophobicContact CB-CD2 4.32Å; K199-F201 HydrophobicContact CB-CE2 3.75Å; K199-F201 WeakPolarHBondContact O-CD2 3.49Å; K199-C216 PolarHBondContact O-SG 3.01Å; K199-Q217 PolarHBondContact O-N 2.82Å; K199-Q217 VanDerWaalsContact O-N 3.07Å; K199-W531 HydrophobicContact CB-CB 4.18Å; K199-W531 HydrophobicContact CB-CD2 4.33Å; K199-W531 HydrophobicContact CB-CG 3.94Å; K199-W531 HydrophobicContact CD-CD2 3.9Å; K199-W531 HydrophobicContact CD-CE3 3.78Å; K199-W531 HydrophobicContact CD-CG 4.26Å; K199-W531 HydrophobicContact CD-CZ3 4.22Å; K199-W531 HydrophobicContact CG-CB 3.99Å; K199-W531 HydrophobicContact CG-CD2 4.22Å; K199-W531 HydrophobicContact CG-CE3 4.46Å; K199-W531 HydrophobicContact CG-CG 4.04Å
200	A	94.3	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.4	173.8	0	0	0	0	0	110.6	Y196 Q198 S530	Y196-A200 HydrophobicContact CD2-CB 3.81Å; Y196-A200 HydrophobicContact CE2-CB 3.89Å; Q198-A200 PolarHBondContact O-N 3.17Å; A200-S530 VanDerWaalsContact CB-O 3.29Å; A200-S530 WeakPolarHBondContact CB-O 3.42Å; A200-S530 PolarHBondContact N-O 3.22Å
201	F	93.8	Very high	94.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-33.4	-170.8	-87.4	-98.3	0	0	0	114.3	K199 A215 Q217 W244 R515 W531	K199-F201 HydrophobicContact CB-CD2 4.32Å; K199-F201 HydrophobicContact CB-CE2 3.75Å; K199-F201 WeakPolarHBondContact O-CD2 3.49Å; F201-A215 PolarHBondContact N-O 3.33Å; F201-Q217 HydrophobicContact CD2-CB 4.28Å; F201-Q217 HydrophobicContact CE2-CB 3.97Å; F201-W244 HydrophobicContact CD1-CZ3 4.5Å; F201-W244 HydrophobicContact CE1-CE3 4.37Å; F201-W244 AromaticContact CE1-CH2 3.46Å; F201-W244 HydrophobicContact CE1-CH2 3.46Å; F201-W244 VanDerWaalsContact CE1-CH2 3.46Å; F201-W244 HydrophobicContact CE1-CZ2 4.3Å; F201-W244 AromaticContact CE1-CZ3 3.47Å; F201-W244 HydrophobicContact CE1-CZ3 3.47Å; F201-W244 VanDerWaalsContact CE1-CZ3 3.47Å; F201-W244 HydrophobicContact CZ-CE3 4.41Å; F201-W244 AromaticContact CZ-CH2 3.37Å; F201-W244 HydrophobicContact CZ-CH2 3.37Å; F201-W244 AromaticContact CZ-CZ2 3.75Å; F201-W244 HydrophobicContact CZ-CZ2 3.75Å; F201-W244 AromaticContact CZ-CZ3 3.72Å; F201-W244 HydrophobicContact CZ-CZ3 3.72Å; F201-R515 WeakPolarHBondContact O-CD 3.46Å; F201-R515 WeakPolarHBondContact O-CG 2.98Å; F201-R515 PolarHBondContact O-NE 3.36Å; F201-W531 AromaticContact CE1-CE2 3.97Å; F201-W531 AromaticContact CE1-CZ2 3.58Å; F201-W531 HydrophobicContact CE1-CZ2 3.58Å; F201-W531 AromaticContact CE1-NE1 3.82Å; F201-W531 HydrophobicContact CE2-CZ2 4.4Å; F201-W531 AromaticContact CE2-NE1 3.94Å; F201-W531 AromaticContact CZ-CE2 3.7Å; F201-W531 HydrophobicContact CZ-CH2 4.37Å; F201-W531 AromaticContact CZ-CZ2 3.44Å; F201-W531 HydrophobicContact CZ-CZ2 3.44Å; F201-W531 VanDerWaalsContact CZ-CZ2 3.44Å; F201-W531 AromaticContact CZ-NE1 3.7Å
202	C	96.1	Very high	95	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.4	-176.4	-55.7	0	0	0	0	111	S214 A215 L247 V249 S529	C202-S214 VanDerWaalsContact O-CA 3.23Å; C202-S214 WeakPolarHBondContact O-CA 3.4Å; C202-S214 WeakPolarHBondContact O-CB 3.44Å; C202-S214 PolarHBondContact O-OG 3.17Å; C202-A215 HydrophobicContact CB-CB 4.23Å; C202-A215 PolarHBondContact N-O 3.29Å; C202-A215 VanDerWaalsContact N-O 3.12Å; C202-A215 PolarHBondContact O-N 2.72Å; C202-A215 VanDerWaalsContact O-N 3.16Å; C202-L247 PolarHBondContact SG-O 2.85Å; C202-L247 VanDerWaalsContact SG-O 3.39Å; C202-V249 HydrophobicContact CB-CG1 4.3Å; C202-V249 HydrophobicContact CB-CG2 3.48Å; C202-V249 VanDerWaalsContact CB-CG2 3.48Å; C202-S529 PolarHBondContact O-OG 2.98Å
203	G	96.9	Very high	95.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	105.9	178.5	0	0	0	0	0	110.7	F212 L213 D516 S518 S529	G203-F212 VanDerWaalsContact C-CE2 3.46Å; G203-F212 VanDerWaalsContact CA-CZ 3.47Å; G203-L213 CarbonylContact C-O 3.58Å; G203-L213 WeakPolarHBondContact CA-O 3.32Å; G203-D516 PolarHBondContact N-OD2 3.03Å; G203-D516 VanDerWaalsContact N-OD2 3.09Å; G203-S518 WeakPolarHBondContact O-CB 3.37Å; G203-S529 WeakPolarHBondContact CA-OG 3.44Å
204	V	97.5	Very high	95.1	Very high	23 Å²	23	37.8 Å²	37.8	14%	0.139	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.1	-170.8	73.7	0	0	0	0	112.3	F212 L213 V249 F251	V204-F212 VanDerWaalsContact C-CD2 3.49Å; V204-F212 VanDerWaalsContact N-CE2 3.27Å; V204-F212 WeakPolarHBondContact O-CD2 3.5Å; V204-L213 HydrophobicContact CG1-CB 4.45Å; V204-L213 PolarHBondContact N-O 2.69Å; V204-L213 PolarHBondContact O-N 2.84Å; V204-V249 HydrophobicContact CG1-CG2 3.99Å; V204-F251 HydrophobicContact CG1-CD2 4.31Å; V204-F251 HydrophobicContact CG1-CE2 4.15Å
205	Y	97.5	Very high	95.1	Very high	16 Å²	16	35.9 Å²	35.9	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	153.2	168	-83	-73.9	0	0	0	111.7	M211 F212 T226 S518 H520 I527	Y205-M211 WeakPolarHBondContact CA-O 3.3Å; Y205-M211 WeakPolarHBondContact CD1-O 3.1Å; Y205-F212 HydrophobicContact CD1-CB 3.99Å; Y205-F212 HydrophobicContact CD1-CD2 4.12Å; Y205-F212 HydrophobicContact CD2-CD2 4.04Å; Y205-F212 HydrophobicContact CE1-CB 3.96Å; Y205-F212 HydrophobicContact CE1-CD2 4.26Å; Y205-F212 HydrophobicContact CE2-CD2 4.2Å; Y205-F212 HydrophobicContact CG-CD2 4.01Å; Y205-T226 HydrophobicContact CE1-CG2 3.9Å; Y205-S518 PolarHBondContact N-OG 2.9Å; Y205-S518 VanDerWaalsContact N-OG 3.12Å; Y205-H520 AromaticContact CD1-CD2 3.95Å; Y205-H520 HydrophobicContact CD2-CB 4.17Å; Y205-H520 HydrophobicContact CE1-CB 4.26Å; Y205-H520 AromaticContact CE1-CD2 3.46Å; Y205-H520 VanDerWaalsContact CE1-CD2 3.46Å; Y205-H520 WeakPolarHBondContact CE1-CD2 3.39Å; Y205-H520 HydrophobicContact CE2-CB 3.71Å; Y205-H520 AromaticContact CZ-CD2 3.76Å; Y205-I527 HydrophobicContact CE2-CB 4.39Å; Y205-I527 HydrophobicContact CE2-CG1 3.62Å; Y205-I527 VanDerWaalsContact OH-CG1 3.25Å; Y205-I527 WeakPolarHBondContact OH-CG1 3.41Å
206	S	96.4	Very high	94.8	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.021	16%	0.158	C	C	.	.			trans	-66	160.9	159.7	58.9	0	0	0	0	110.9	E208 G209 N210 M211	S206-E208 PolarHBondContact O-N 2.86Å; S206-G209 WeakPolarHBondContact O-CA 3.28Å; S206-G209 PolarHBondContact O-N 3.43Å; S206-G209 PolarHBondContact OG-N 3.23Å; S206-N210 PolarHBondContact OG-N 3.12Å; S206-N210 PolarHBondContact OG-OD1 3.22Å; S206-M211 PolarHBondContact N-O 3.38Å; S206-M211 PolarHBondContact OG-N 2.95Å; S206-M211 VanDerWaalsContact OG-N 3.14Å; S206-M211 PolarHBondContact OG-O 3.48Å
207	E	93.6	Very high	94.8	Very high	149 Å²	149	33.4 Å²	33.4	70%	0.696	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-34.2	178.3	-59.1	-164	155.1	0	0	112.5	G209 P521	E207-G209 VanDerWaalsContact C-N 3.27Å; E207-G209 PolarHBondContact O-N 2.93Å; E207-P521 WeakPolarHBondContact O-CB 3.23Å; E207-P521 WeakPolarHBondContact O-CG 3.5Å
208	E	94.3	Very high	94.9	Very high	127 Å²	127	27 Å²	27	59%	0.593	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.8	173.4	-70.8	-66.7	152.4	0	0	113.5	S206 N210	S206-E208 PolarHBondContact O-N 2.86Å; E208-N210 HydrophobicContact CB-CB 4.31Å; E208-N210 PolarHBondContact O-N 3.32Å
209	G	95.3	Very high	94.9	Very high	1 Å²	1	26 Å²	26	1%	0.01	13%	0.126	C	C	.	.	S	Bend	trans	65.4	-2.5	-172.5	0	0	0	0	0	115.1	S206 E207 M211 T226 H520	S206-G209 WeakPolarHBondContact O-CA 3.28Å; S206-G209 PolarHBondContact O-N 3.43Å; S206-G209 PolarHBondContact OG-N 3.23Å; E207-G209 VanDerWaalsContact C-N 3.27Å; E207-G209 PolarHBondContact O-N 2.93Å; G209-M211 PolarHBondContact O-N 2.81Å; G209-T226 PolarHBondContact O-OG1 2.74Å; G209-H520 PolarHBondContact O-CD2 3.33Å; G209-H520 PolarHBondContact O-NE2 2.96Å; G209-H520 VanDerWaalsContact O-NE2 3.1Å
210	N	95.6	Very high	95	Very high	59 Å²	59	27 Å²	27	32%	0.316	13%	0.132	S	C	.	.	S	Bend	trans	-64.7	-21.9	-179.8	69.6	-27	0	0	0	113.7	S206 E208 T226 T227	S206-N210 PolarHBondContact OG-N 3.12Å; S206-N210 PolarHBondContact OG-OD1 3.22Å; E208-N210 HydrophobicContact CB-CB 4.31Å; E208-N210 PolarHBondContact O-N 3.32Å; N210-T226 PolarHBondContact O-N 2.76Å; N210-T226 PolarHBondContact O-OG1 2.9Å; N210-T227 HydrophobicContact CB-CG2 3.75Å; N210-T227 PolarHBondContact O-N 3.05Å
211	M	96.1	Very high	95	Very high	13 Å²	13	27.2 Å²	27.2	6%	0.064	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.5	179.3	-63.5	-179.8	74.1	0	0	111.2	Y205 S206 G209 L223 Y224 T226 F251 I272	Y205-M211 WeakPolarHBondContact CA-O 3.3Å; Y205-M211 WeakPolarHBondContact CD1-O 3.1Å; S206-M211 PolarHBondContact N-O 3.38Å; S206-M211 PolarHBondContact OG-N 2.95Å; S206-M211 VanDerWaalsContact OG-N 3.14Å; S206-M211 PolarHBondContact OG-O 3.48Å; G209-M211 PolarHBondContact O-N 2.81Å; M211-L223 HydrophobicContact CE-CB 4.2Å; M211-L223 HydrophobicContact CE-CD2 3.58Å; M211-Y224 WeakPolarHBondContact CA-O 3.28Å; M211-T226 VanDerWaalsContact C-OG1 3.23Å; M211-T226 WeakPolarHBondContact CA-OG1 3.35Å; M211-T226 PolarHBondContact N-OG1 3.37Å; M211-F251 HydrophobicContact CB-CE1 4.36Å; M211-F251 HydrophobicContact CB-CZ 4.07Å; M211-F251 HydrophobicContact CE-CE1 4.35Å; M211-F251 HydrophobicContact SD-CE1 4.31Å; M211-I272 HydrophobicContact CE-CD1 4.28Å; M211-I272 HydrophobicContact CE-CG2 3.56Å; M211-I272 HydrophobicContact SD-CD1 4.4Å; M211-I272 HydrophobicContact SD-CG2 4.15Å
212	F	97.4	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.8	164.6	179	-97.9	0	0	0	109.8	G203 V204 Y205 Y224 T226 F231 I527 V535	G203-F212 VanDerWaalsContact C-CE2 3.46Å; G203-F212 VanDerWaalsContact CA-CZ 3.47Å; V204-F212 VanDerWaalsContact C-CD2 3.49Å; V204-F212 VanDerWaalsContact N-CE2 3.27Å; V204-F212 WeakPolarHBondContact O-CD2 3.5Å; Y205-F212 HydrophobicContact CD1-CB 3.99Å; Y205-F212 HydrophobicContact CD1-CD2 4.12Å; Y205-F212 HydrophobicContact CD2-CD2 4.04Å; Y205-F212 HydrophobicContact CE1-CB 3.96Å; Y205-F212 HydrophobicContact CE1-CD2 4.26Å; Y205-F212 HydrophobicContact CE2-CD2 4.2Å; Y205-F212 HydrophobicContact CG-CD2 4.01Å; F212-Y224 AromaticContact CD1-CD2 3.87Å; F212-Y224 HydrophobicContact CD1-CD2 3.87Å; F212-Y224 HydrophobicContact CD1-CE2 4.38Å; F212-Y224 PolarHBondContact N-O 2.82Å; F212-Y224 PolarHBondContact O-N 2.97Å; F212-T226 HydrophobicContact CB-CG2 3.77Å; F212-F231 HydrophobicContact CB-CE2 4.05Å; F212-F231 AromaticContact CD1-CE2 3.65Å; F212-F231 HydrophobicContact CD1-CE2 3.65Å; F212-F231 AromaticContact CD1-CZ 3.57Å; F212-F231 HydrophobicContact CD1-CZ 3.57Å; F212-F231 HydrophobicContact CE1-CE2 4.34Å; F212-F231 HydrophobicContact CE1-CZ 4.05Å; F212-F231 AromaticContact CG-CE2 3.96Å; F212-F231 HydrophobicContact CG-CE2 3.96Å; F212-F231 HydrophobicContact CG-CZ 4.34Å; F212-I527 HydrophobicContact CD1-CG2 4.3Å; F212-I527 HydrophobicContact CD2-CB 4.13Å; F212-I527 HydrophobicContact CD2-CG1 4.02Å; F212-I527 HydrophobicContact CD2-CG2 4.37Å; F212-I527 HydrophobicContact CE1-CB 4.37Å; F212-I527 HydrophobicContact CE1-CG2 3.59Å; F212-I527 HydrophobicContact CE2-CB 3.59Å; F212-I527 HydrophobicContact CE2-CG1 4.02Å; F212-I527 HydrophobicContact CE2-CG2 3.7Å; F212-I527 HydrophobicContact CG-CG1 4.4Å; F212-I527 HydrophobicContact CZ-CB 3.73Å; F212-I527 HydrophobicContact CZ-CG1 4.39Å; F212-I527 HydrophobicContact CZ-CG2 3.25Å; F212-V535 HydrophobicContact CE1-CG1 4.26Å
213	L	97.1	Very high	95.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.2	179	-176.2	151	0	0	0	110.5	G203 V204 I221 R222 L223 V249 F251 V258	G203-L213 CarbonylContact C-O 3.58Å; G203-L213 WeakPolarHBondContact CA-O 3.32Å; V204-L213 HydrophobicContact CG1-CB 4.45Å; V204-L213 PolarHBondContact N-O 2.69Å; V204-L213 PolarHBondContact O-N 2.84Å; L213-I221 HydrophobicContact CD1-CG2 3.84Å; L213-I221 HydrophobicContact CD2-CG2 3.97Å; L213-I221 HydrophobicContact CG-CG2 3.93Å; L213-R222 WeakPolarHBondContact CA-O 3.11Å; L213-L223 HydrophobicContact CD1-CD2 3.98Å; L213-L223 HydrophobicContact CD1-CG 4.05Å; L213-L223 HydrophobicContact CG-CG 4.49Å; L213-V249 HydrophobicContact CD2-CB 3.63Å; L213-V249 HydrophobicContact CD2-CG1 3.9Å; L213-V249 HydrophobicContact CD2-CG2 3.41Å; L213-V249 VanDerWaalsContact CD2-CG2 3.41Å; L213-F251 HydrophobicContact CB-CE2 3.84Å; L213-F251 HydrophobicContact CB-CZ 3.64Å; L213-F251 HydrophobicContact CD1-CE1 4.43Å; L213-F251 HydrophobicContact CD1-CZ 4.25Å; L213-V258 HydrophobicContact CD1-CB 4.12Å; L213-V258 HydrophobicContact CD1-CG1 3.59Å; L213-V258 HydrophobicContact CD1-CG2 3.33Å
214	S	97.1	Very high	95.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.4	172.3	-167.3	0	0	0	0	111.8	Y196 C202 R222 S529	Y196-S214 WeakPolarHBondContact OH-CB 3.19Å; C202-S214 VanDerWaalsContact O-CA 3.23Å; C202-S214 WeakPolarHBondContact O-CA 3.4Å; C202-S214 WeakPolarHBondContact O-CB 3.44Å; C202-S214 PolarHBondContact O-OG 3.17Å; S214-R222 PolarHBondContact N-O 3.42Å; S214-R222 PolarHBondContact O-N 2.75Å; S214-S529 PolarHBondContact OG-OG 3.46Å; S214-S529 VanDerWaalsContact OG-OG 3.05Å
215	A	95.4	Very high	95	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.2	177.8	0	0	0	0	0	111	F201 C202 I221 V246 V249	F201-A215 PolarHBondContact N-O 3.33Å; C202-A215 HydrophobicContact CB-CB 4.23Å; C202-A215 PolarHBondContact N-O 3.29Å; C202-A215 VanDerWaalsContact N-O 3.12Å; C202-A215 PolarHBondContact O-N 2.72Å; C202-A215 VanDerWaalsContact O-N 3.16Å; A215-I221 HydrophobicContact CB-CG1 4.06Å; A215-V246 HydrophobicContact CB-CB 3.87Å; A215-V246 HydrophobicContact CB-CG1 3.75Å; A215-V246 HydrophobicContact CB-CG2 4.39Å; A215-V249 HydrophobicContact CB-CG1 3.74Å
216	C	89.9	Confident	95	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	163.9	-163.6	173.7	0	0	0	0	110.6	Y196 Q198 K199 D218 Q219	Y196-C216 HydrophobicContact CD2-CB 3.7Å; Y196-C216 HydrophobicContact CE2-CB 4.24Å; Y196-C216 HydrophobicContact CG-CB 4.43Å; Q198-C216 PolarHBondContact O-SG 2.67Å; K199-C216 PolarHBondContact O-SG 3.01Å; C216-D218 VanDerWaalsContact CB-OD1 3.22Å; C216-D218 WeakPolarHBondContact CB-OD1 3.43Å; C216-D218 PolarHBondContact O-N 3.1Å; C216-D218 PolarHBondContact SG-OD1 2.85Å; C216-D218 VanDerWaalsContact SG-OD1 3.42Å; C216-Q219 PolarHBondContact O-N 2.54Å
217	Q	91.7	Very high	94.9	Very high	36 Å²	36	30 Å²	30	17%	0.168	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.2	174.5	-165.9	-177	-16.2	0	0	112.7	Q198 K199 F201 Q219 W244	Q198-Q217 HydrophobicContact CB-CB 4.1Å; K199-Q217 PolarHBondContact O-N 2.82Å; K199-Q217 VanDerWaalsContact O-N 3.07Å; F201-Q217 HydrophobicContact CD2-CB 4.28Å; F201-Q217 HydrophobicContact CE2-CB 3.97Å; Q217-Q219 PolarHBondContact O-N 3.25Å; Q217-Q219 VanDerWaalsContact O-N 3.15Å; Q217-W244 VanDerWaalsContact CG-O 3.25Å; Q217-W244 WeakPolarHBondContact CG-O 3.31Å
218	D	91.7	Very high	94.5	Very high	32 Å²	32	34.7 Å²	34.7	17%	0.171	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	13.2	175.3	81.8	-29.9	0	0	0	115.1	Q198 C216 N220 R222	Q198-D218 HydrophobicContact CB-CB 4.13Å; Q198-D218 HydrophobicContact CG-CB 4.1Å; C216-D218 VanDerWaalsContact CB-OD1 3.22Å; C216-D218 WeakPolarHBondContact CB-OD1 3.43Å; C216-D218 PolarHBondContact O-N 3.1Å; C216-D218 PolarHBondContact SG-OD1 2.85Å; C216-D218 VanDerWaalsContact SG-OD1 3.42Å; D218-N220 VanDerWaalsContact CG-ND2 3.34Å; D218-N220 PolarHBondContact O-N 3.42Å; D218-N220 VanDerWaalsContact O-N 3.17Å; D218-N220 PolarHBondContact O-ND2 2.87Å; D218-N220 WeakPolarHBondContact OD1-CB 3.38Å; D218-N220 PolarHBondContact OD1-N 3.15Å; D218-N220 PolarHBondContact OD2-ND2 2.88Å; D218-R222 IonicContact OD1-CZ 4Å; D218-R222 IonicContact OD1-NH1 3.13Å; D218-R222 PolarHBondContact OD1-NH1 3.16Å; D218-R222 IonicContact OD1-NH2 3.95Å; D218-R222 IonicContact OD2-CZ 3.63Å; D218-R222 IonicContact OD2-NH1 3.33Å; D218-R222 PolarHBondContact OD2-NH1 3.24Å; D218-R222 IonicContact OD2-NH2 3.33Å; D218-R222 PolarHBondContact OD2-NH2 3.43Å
219	Q	92.8	Very high	93.8	Very high	66 Å²	66	30.1 Å²	30.1	31%	0.308	15%	0.146	S	C	.	.	S	Bend	trans	65.7	5	-178.4	-44.3	-179.6	-30.4	0	0	115	C216 Q217 A239 V242	C216-Q219 PolarHBondContact O-N 2.54Å; Q217-Q219 PolarHBondContact O-N 3.25Å; Q217-Q219 VanDerWaalsContact O-N 3.15Å; Q219-A239 WeakPolarHBondContact O-CB 3.34Å; Q219-A239 PolarHBondContact O-N 2.72Å; Q219-V242 HydrophobicContact CB-CB 4.29Å; Q219-V242 HydrophobicContact CB-CG1 4.48Å; Q219-V242 HydrophobicContact CB-CG2 4.26Å; Q219-V242 HydrophobicContact CG-CB 3.92Å; Q219-V242 HydrophobicContact CG-CG1 3.96Å; Q219-V242 HydrophobicContact CG-CG2 4.44Å; Q219-V242 PolarHBondContact NE2-O 2.89Å
220	N	93.9	Very high	93.5	Very high	40 Å²	40	36.2 Å²	36.2	21%	0.214	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.9	-175.8	-64.9	-53.6	0	0	0	112.2	D218 R222 T236	D218-N220 VanDerWaalsContact CG-ND2 3.34Å; D218-N220 PolarHBondContact O-N 3.42Å; D218-N220 VanDerWaalsContact O-N 3.17Å; D218-N220 PolarHBondContact O-ND2 2.87Å; D218-N220 WeakPolarHBondContact OD1-CB 3.38Å; D218-N220 PolarHBondContact OD1-N 3.15Å; D218-N220 PolarHBondContact OD2-ND2 2.88Å; N220-R222 PolarHBondContact O-NH1 2.98Å; N220-T236 HydrophobicContact CB-CG2 3.73Å
221	I	94.9	Very high	93.5	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.2	169.9	-61.1	173.9	0	0	0	107.9	L213 A215 T236 V237 A239 V246 Y260	L213-I221 HydrophobicContact CD1-CG2 3.84Å; L213-I221 HydrophobicContact CD2-CG2 3.97Å; L213-I221 HydrophobicContact CG-CG2 3.93Å; A215-I221 HydrophobicContact CB-CG1 4.06Å; I221-T236 CarbonylContact O-C 3.5Å; I221-T236 WeakPolarHBondContact O-CA 3.36Å; I221-V237 PolarHBondContact N-O 3.28Å; I221-V237 PolarHBondContact O-N 2.85Å; I221-A239 HydrophobicContact CD1-CB 4.09Å; I221-A239 HydrophobicContact CG1-CB 4.38Å; I221-V246 HydrophobicContact CG1-CG2 4.36Å; I221-Y260 HydrophobicContact CD1-CD1 3.25Å; I221-Y260 HydrophobicContact CD1-CD2 4.2Å; I221-Y260 HydrophobicContact CD1-CE1 3.85Å; I221-Y260 HydrophobicContact CD1-CG 3.46Å; I221-Y260 VanDerWaalsContact CD1-CG 3.46Å
222	R	96.1	Very high	93.5	Very high	28 Å²	28	40.3 Å²	40.3	11%	0.106	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.6	-171.9	-67.6	167.9	174	88.3	-6.4	110	Y196 L213 S214 D218 N220 Y224 L233 T236	Y196-R222 VanDerWaalsContact CD1-CZ 3.43Å; Y196-R222 VanDerWaalsContact CE1-NE 3.28Å; Y196-R222 VanDerWaalsContact CZ-CD 3.43Å; L213-R222 WeakPolarHBondContact CA-O 3.11Å; S214-R222 PolarHBondContact N-O 3.42Å; S214-R222 PolarHBondContact O-N 2.75Å; D218-R222 IonicContact OD1-CZ 4Å; D218-R222 IonicContact OD1-NH1 3.13Å; D218-R222 PolarHBondContact OD1-NH1 3.16Å; D218-R222 IonicContact OD1-NH2 3.95Å; D218-R222 IonicContact OD2-CZ 3.63Å; D218-R222 IonicContact OD2-NH1 3.33Å; D218-R222 PolarHBondContact OD2-NH1 3.24Å; D218-R222 IonicContact OD2-NH2 3.33Å; D218-R222 PolarHBondContact OD2-NH2 3.43Å; N220-R222 PolarHBondContact O-NH1 2.98Å; R222-Y224 HydrophobicContact CB-CD2 4.5Å; R222-Y224 HydrophobicContact CB-CE2 3.61Å; R222-Y224 WeakPolarHBondContact CD-OH 3.43Å; R222-L233 HydrophobicContact CB-CD1 3.8Å; R222-L233 HydrophobicContact CG-CD1 4.16Å; R222-T236 HydrophobicContact CG-CG2 4.14Å
223	L	96.1	Very high	93.4	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.1	179.2	-60.4	103.8	0	0	0	110.3	M211 L213 Q234 R235 V237 V258 I272	M211-L223 HydrophobicContact CE-CB 4.2Å; M211-L223 HydrophobicContact CE-CD2 3.58Å; L213-L223 HydrophobicContact CD1-CD2 3.98Å; L213-L223 HydrophobicContact CD1-CG 4.05Å; L213-L223 HydrophobicContact CG-CG 4.49Å; L223-Q234 PolarHBondContact O-N 2.81Å; L223-R235 HydrophobicContact CB-CB 4.47Å; L223-R235 HydrophobicContact CD1-CB 4.21Å; L223-R235 HydrophobicContact CD1-CG 4.44Å; L223-R235 PolarHBondContact N-O 3.19Å; L223-R235 PolarHBondContact O-N 3.09Å; L223-V237 HydrophobicContact CD1-CG2 4.14Å; L223-V258 HydrophobicContact CD2-CG2 3.95Å; L223-I272 HydrophobicContact CD2-CD1 4.3Å; L223-I272 HydrophobicContact CD2-CG1 3.82Å; L223-I272 HydrophobicContact CD2-CG2 4.32Å
224	Y	96.9	Very high	93.3	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135	-174	-58.7	-95.9	0	0	0	111.3	D194 Y196 M211 F212 R222 T226 F231 H232 L233	D194-Y224 HydrophobicContact CB-CE1 4.43Å; D194-Y224 WeakPolarHBondContact OD2-CE1 3.48Å; D194-Y224 PolarHBondContact OD2-OH 3Å; Y196-Y224 WeakPolarHBondContact CE1-OH 3Å; Y196-Y224 PolarHBondContact OH-OH 3.02Å; M211-Y224 WeakPolarHBondContact CA-O 3.28Å; F212-Y224 AromaticContact CD1-CD2 3.87Å; F212-Y224 HydrophobicContact CD1-CD2 3.87Å; F212-Y224 HydrophobicContact CD1-CE2 4.38Å; F212-Y224 PolarHBondContact N-O 2.82Å; F212-Y224 PolarHBondContact O-N 2.97Å; R222-Y224 HydrophobicContact CB-CD2 4.5Å; R222-Y224 HydrophobicContact CB-CE2 3.61Å; R222-Y224 WeakPolarHBondContact CD-OH 3.43Å; Y224-T226 PolarHBondContact O-N 3.24Å; Y224-F231 AromaticContact CD1-CD1 3.81Å; Y224-F231 HydrophobicContact CD1-CD1 3.81Å; Y224-F231 AromaticContact CD1-CE1 3.32Å; Y224-F231 HydrophobicContact CD1-CE1 3.32Å; Y224-F231 AromaticContact CD1-CZ 3.93Å; Y224-F231 HydrophobicContact CD1-CZ 3.93Å; Y224-F231 HydrophobicContact CD2-CE1 4.28Å; Y224-F231 HydrophobicContact CD2-CZ 4.08Å; Y224-F231 HydrophobicContact CE1-CD1 4.32Å; Y224-F231 AromaticContact CE1-CE1 3.58Å; Y224-F231 HydrophobicContact CE1-CE1 3.58Å; Y224-F231 HydrophobicContact CE1-CZ 4.29Å; Y224-F231 HydrophobicContact CE2-CE1 4.48Å; Y224-F231 HydrophobicContact CE2-CZ 4.41Å; Y224-F231 HydrophobicContact CG-CD1 4.34Å; Y224-F231 AromaticContact CG-CE1 3.71Å; Y224-F231 HydrophobicContact CG-CE1 3.71Å; Y224-F231 AromaticContact CG-CZ 3.82Å; Y224-F231 HydrophobicContact CG-CZ 3.82Å; Y224-H232 CarbonylContact C-O 3.53Å; Y224-H232 VanDerWaalsContact CA-O 3.26Å; Y224-H232 WeakPolarHBondContact CA-O 3.48Å; Y224-L233 HydrophobicContact CD1-CB 3.99Å; Y224-L233 HydrophobicContact CD1-CD1 4.19Å; Y224-L233 HydrophobicContact CE1-CB 3.88Å; Y224-L233 HydrophobicContact CE1-CD1 3.8Å; Y224-L233 HydrophobicContact CE1-CG 4.43Å; Y224-L233 HydrophobicContact CE2-CD1 4.37Å
225	D	95.9	Very high	93	Very high	17 Å²	17	51.7 Å²	51.7	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	115.9	166.2	-168.1	-26.9	0	0	0	109.2	T227 R230 F231 H232 Q234	D225-T227 WeakPolarHBondContact OD1-CB 3.47Å; D225-T227 PolarHBondContact OD1-N 3.09Å; D225-T227 PolarHBondContact OD1-OG1 2.97Å; D225-R230 VanDerWaalsContact CG-NH2 3.3Å; D225-R230 CarbonylContact O-C 3.58Å; D225-R230 IonicContact OD1-CZ 2.69Å; D225-R230 IonicContact OD1-NE 2.77Å; D225-R230 IonicContact OD1-NH2 3.17Å; D225-R230 PolarHBondContact OD1-NH2 3.18Å; D225-R230 IonicContact OD2-CZ 2.84Å; D225-R230 IonicContact OD2-NE 2.64Å; D225-R230 IonicContact OD2-NH1 3.06Å; D225-R230 PolarHBondContact OD2-NH1 3.05Å; D225-R230 IonicContact OD2-NH2 2.93Å; D225-R230 PolarHBondContact OD2-NH2 3.16Å; D225-F231 VanDerWaalsContact O-CA 3.24Å; D225-F231 WeakPolarHBondContact O-CA 3.48Å; D225-F231 PolarHBondContact O-N 3.09Å; D225-H232 PolarHBondContact N-O 2.88Å; D225-H232 PolarHBondContact O-N 2.89Å; D225-H232 VanDerWaalsContact O-N 3.08Å; D225-Q234 HydrophobicContact CB-CG 3.74Å
226	T	95.9	Very high	92.9	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.018	26%	0.255	C	S	.	.			trans	-112.6	6.2	173.6	48.4	0	0	0	0	113.6	Y205 G209 N210 M211 F212 Y224 R228 G229 R230 F231	Y205-T226 HydrophobicContact CE1-CG2 3.9Å; G209-T226 PolarHBondContact O-OG1 2.74Å; N210-T226 PolarHBondContact O-N 2.76Å; N210-T226 PolarHBondContact O-OG1 2.9Å; M211-T226 VanDerWaalsContact C-OG1 3.23Å; M211-T226 WeakPolarHBondContact CA-OG1 3.35Å; M211-T226 PolarHBondContact N-OG1 3.37Å; F212-T226 HydrophobicContact CB-CG2 3.77Å; Y224-T226 PolarHBondContact O-N 3.24Å; T226-R228 PolarHBondContact O-N 3.12Å; T226-G229 PolarHBondContact O-N 3.1Å; T226-R230 WeakPolarHBondContact CA-O 3.09Å; T226-F231 HydrophobicContact CG2-CD2 3.55Å; T226-F231 HydrophobicContact CG2-CE2 4.03Å; T226-F231 HydrophobicContact CG2-CG 4.37Å
227	T	94.1	Very high	93.1	Very high	47 Å²	47	54.7 Å²	54.7	29%	0.288	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-58.8	137.5	177.8	63.1	0	0	0	0	112	N210 D225 G229 R230	N210-T227 HydrophobicContact CB-CG2 3.75Å; N210-T227 PolarHBondContact O-N 3.05Å; D225-T227 WeakPolarHBondContact OD1-CB 3.47Å; D225-T227 PolarHBondContact OD1-N 3.09Å; D225-T227 PolarHBondContact OD1-OG1 2.97Å; T227-G229 PolarHBondContact O-N 2.87Å; T227-R230 WeakPolarHBondContact O-CB 3.45Å; T227-R230 WeakPolarHBondContact O-CG 3.4Å; T227-R230 PolarHBondContact O-N 2.82Å; T227-R230 PolarHBondContact O-NE 3.38Å; T227-R230 PolarHBondContact OG1-NH2 2.63Å
228	R	86.1	Confident	93.2	Very high	248 Å²	248	57.9 Å²	57.9	94%	0.936	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	56.3	30.4	-179.8	-52.9	-179	-178.8	179.9	0.6	113.1	T226 R230	T226-R228 PolarHBondContact O-N 3.12Å; R228-R230 VanDerWaalsContact C-N 3.3Å; R228-R230 PolarHBondContact O-N 3.32Å
229	G	79.9	Confident	93.3	Very high	31 Å²	31	56.6 Å²	56.6	32%	0.32	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	74.9	15.9	177.9	0	0	0	0	0	114.8	T226 T227	T226-G229 PolarHBondContact O-N 3.1Å; T227-G229 PolarHBondContact O-N 2.87Å
230	R	89.7	Confident	93.2	Very high	129 Å²	129	57.7 Å²	57.7	49%	0.487	26%	0.264	S	S	.	.			trans	-69.9	172.2	167.6	-64.6	-174	-69.6	156.7	-0.7	110.3	D225 T226 T227 R228	D225-R230 VanDerWaalsContact CG-NH2 3.3Å; D225-R230 CarbonylContact O-C 3.58Å; D225-R230 IonicContact OD1-CZ 2.69Å; D225-R230 IonicContact OD1-NE 2.77Å; D225-R230 IonicContact OD1-NH2 3.17Å; D225-R230 PolarHBondContact OD1-NH2 3.18Å; D225-R230 IonicContact OD2-CZ 2.84Å; D225-R230 IonicContact OD2-NE 2.64Å; D225-R230 IonicContact OD2-NH1 3.06Å; D225-R230 PolarHBondContact OD2-NH1 3.05Å; D225-R230 IonicContact OD2-NH2 2.93Å; D225-R230 PolarHBondContact OD2-NH2 3.16Å; T226-R230 WeakPolarHBondContact CA-O 3.09Å; T227-R230 WeakPolarHBondContact O-CB 3.45Å; T227-R230 WeakPolarHBondContact O-CG 3.4Å; T227-R230 PolarHBondContact O-N 2.82Å; T227-R230 PolarHBondContact O-NE 3.38Å; T227-R230 PolarHBondContact OG1-NH2 2.63Å; R228-R230 VanDerWaalsContact C-N 3.3Å; R228-R230 PolarHBondContact O-N 3.32Å
231	F	95.5	Very high	92.9	Very high	32 Å²	32	58.2 Å²	58.2	14%	0.14	27%	0.267	C	S	.	.			trans	-154.5	93.9	165.9	-165.1	-81.4	0	0	0	106.7	K193 F212 Y224 D225 T226 I527 V535	K193-F231 HydrophobicContact CB-CD1 3.72Å; K193-F231 HydrophobicContact CB-CE1 3.67Å; K193-F231 HydrophobicContact CB-CG 4.43Å; K193-F231 HydrophobicContact CB-CZ 4.37Å; K193-F231 HydrophobicContact CD-CB 4Å; K193-F231 HydrophobicContact CD-CD1 3.96Å; K193-F231 HydrophobicContact CD-CG 3.98Å; K193-F231 HydrophobicContact CG-CD1 3.96Å; K193-F231 HydrophobicContact CG-CE1 4.22Å; K193-F231 HydrophobicContact CG-CG 4.18Å; F212-F231 HydrophobicContact CB-CE2 4.05Å; F212-F231 AromaticContact CD1-CE2 3.65Å; F212-F231 HydrophobicContact CD1-CE2 3.65Å; F212-F231 AromaticContact CD1-CZ 3.57Å; F212-F231 HydrophobicContact CD1-CZ 3.57Å; F212-F231 HydrophobicContact CE1-CE2 4.34Å; F212-F231 HydrophobicContact CE1-CZ 4.05Å; F212-F231 AromaticContact CG-CE2 3.96Å; F212-F231 HydrophobicContact CG-CE2 3.96Å; F212-F231 HydrophobicContact CG-CZ 4.34Å; Y224-F231 AromaticContact CD1-CD1 3.81Å; Y224-F231 HydrophobicContact CD1-CD1 3.81Å; Y224-F231 AromaticContact CD1-CE1 3.32Å; Y224-F231 HydrophobicContact CD1-CE1 3.32Å; Y224-F231 AromaticContact CD1-CZ 3.93Å; Y224-F231 HydrophobicContact CD1-CZ 3.93Å; Y224-F231 HydrophobicContact CD2-CE1 4.28Å; Y224-F231 HydrophobicContact CD2-CZ 4.08Å; Y224-F231 HydrophobicContact CE1-CD1 4.32Å; Y224-F231 AromaticContact CE1-CE1 3.58Å; Y224-F231 HydrophobicContact CE1-CE1 3.58Å; Y224-F231 HydrophobicContact CE1-CZ 4.29Å; Y224-F231 HydrophobicContact CE2-CE1 4.48Å; Y224-F231 HydrophobicContact CE2-CZ 4.41Å; Y224-F231 HydrophobicContact CG-CD1 4.34Å; Y224-F231 AromaticContact CG-CE1 3.71Å; Y224-F231 HydrophobicContact CG-CE1 3.71Å; Y224-F231 AromaticContact CG-CZ 3.82Å; Y224-F231 HydrophobicContact CG-CZ 3.82Å; D225-F231 VanDerWaalsContact O-CA 3.24Å; D225-F231 WeakPolarHBondContact O-CA 3.48Å; D225-F231 PolarHBondContact O-N 3.09Å; T226-F231 HydrophobicContact CG2-CD2 3.55Å; T226-F231 HydrophobicContact CG2-CE2 4.03Å; T226-F231 HydrophobicContact CG2-CG 4.37Å; F231-I527 HydrophobicContact CD2-CD1 3.84Å; F231-I527 HydrophobicContact CE2-CD1 3.54Å; F231-I527 HydrophobicContact CE2-CG1 3.97Å; F231-I527 HydrophobicContact CE2-CG2 4.39Å; F231-I527 HydrophobicContact CZ-CD1 4.43Å; F231-V535 HydrophobicContact CZ-CG1 4.02Å
232	H	95.4	Very high	92.6	Very high	127 Å²	127	58.8 Å²	58.8	59%	0.588	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	126.5	-172.6	-172.9	70.4	0	0	0	110.8	Y224 D225 Q234	Y224-H232 CarbonylContact C-O 3.53Å; Y224-H232 VanDerWaalsContact CA-O 3.26Å; Y224-H232 WeakPolarHBondContact CA-O 3.48Å; D225-H232 PolarHBondContact N-O 2.88Å; D225-H232 PolarHBondContact O-N 2.89Å; D225-H232 VanDerWaalsContact O-N 3.08Å; H232-Q234 PolarHBondContact O-N 2.83Å; H232-Q234 VanDerWaalsContact O-N 3.1Å
233	L	96.1	Very high	92	Very high	67 Å²	67	60 Å²	60	35%	0.351	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	112.9	179.1	-177.4	68.4	0	0	0	109.7	R222 Y224	R222-L233 HydrophobicContact CB-CD1 3.8Å; R222-L233 HydrophobicContact CG-CD1 4.16Å; Y224-L233 HydrophobicContact CD1-CB 3.99Å; Y224-L233 HydrophobicContact CD1-CD1 4.19Å; Y224-L233 HydrophobicContact CE1-CB 3.88Å; Y224-L233 HydrophobicContact CE1-CD1 3.8Å; Y224-L233 HydrophobicContact CE1-CG 4.43Å; Y224-L233 HydrophobicContact CE2-CD1 4.37Å
234	Q	93.2	Very high	91.3	Very high	105 Å²	105	65.1 Å²	65.1	49%	0.491	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-40.7	175	-71.8	178.4	-31.2	0	0	111.3	L223 D225 H232	L223-Q234 PolarHBondContact O-N 2.81Å; D225-Q234 HydrophobicContact CB-CG 3.74Å; H232-Q234 PolarHBondContact O-N 2.83Å; H232-Q234 VanDerWaalsContact O-N 3.1Å
235	R	91.4	Very high	91.1	Very high	67 Å²	67	65 Å²	65	25%	0.253	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	144.4	-169.3	-171.6	177.1	-70.4	-147	-1.7	111.3	L223 V237 I272 D273 G274	L223-R235 HydrophobicContact CB-CB 4.47Å; L223-R235 HydrophobicContact CD1-CB 4.21Å; L223-R235 HydrophobicContact CD1-CG 4.44Å; L223-R235 PolarHBondContact N-O 3.19Å; L223-R235 PolarHBondContact O-N 3.09Å; R235-V237 HydrophobicContact CG-CG2 4.07Å; R235-I272 PolarHBondContact NE-O 3.25Å; R235-I272 VanDerWaalsContact NE-O 3.15Å; R235-I272 PolarHBondContact NH1-O 3.09Å; R235-I272 VanDerWaalsContact NH1-O 3.08Å; R235-I272 PolarHBondContact NH2-O 3.47Å; R235-D273 PolarHBondContact NH2-O 3.36Å; R235-G274 PolarHBondContact NH1-O 3.18Å; R235-G274 PolarHBondContact NH2-O 3.48Å
236	T	94.3	Very high	91	Very high	60 Å²	60	64.1 Å²	64.1	37%	0.368	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.1	163.8	-55.9	0	0	0	0	108	N220 I221 R222	N220-T236 HydrophobicContact CB-CG2 3.73Å; I221-T236 CarbonylContact O-C 3.5Å; I221-T236 WeakPolarHBondContact O-CA 3.36Å; R222-T236 HydrophobicContact CG-CG2 4.14Å
237	V	93.1	Very high	91	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.9	176.5	175.5	0	0	0	0	107.8	I221 L223 R235	I221-V237 PolarHBondContact N-O 3.28Å; I221-V237 PolarHBondContact O-N 2.85Å; L223-V237 HydrophobicContact CD1-CG2 4.14Å; R235-V237 HydrophobicContact CG-CG2 4.07Å
238	K	93.6	Very high	91.2	Very high	102 Å²	102	62.3 Å²	62.3	44%	0.443	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.5	175.8	-171.1	175.7	-178.3	-180	0	110.3	H279	K238-H279 PolarHBondContact O-CE1 2.73Å; K238-H279 PolarHBondContact O-NE2 2.84Å
239	A	93.3	Very high	91.7	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.041	25%	0.252	C	S	.	.			trans	-63.4	135.6	179	0	0	0	0	0	112.1	Q219 I221 V242 V246 Y260	Q219-A239 WeakPolarHBondContact O-CB 3.34Å; Q219-A239 PolarHBondContact O-N 2.72Å; I221-A239 HydrophobicContact CD1-CB 4.09Å; I221-A239 HydrophobicContact CG1-CB 4.38Å; A239-V242 HydrophobicContact CB-CG2 3.41Å; A239-V242 VanDerWaalsContact CB-CG2 3.41Å; A239-V246 HydrophobicContact CB-CG2 3.94Å; A239-Y260 HydrophobicContact CB-CD2 4.19Å; A239-Y260 HydrophobicContact CB-CE1 4.21Å; A239-Y260 HydrophobicContact CB-CE2 3.62Å
240	R	91.8	Very high	92.4	Very high	89 Å²	89	50.6 Å²	50.6	34%	0.336	25%	0.245	S	C	.	.	S	Bend	trans	-78.6	157	170.2	-51.4	-57.2	-167.9	-160.4	4.3	110.7	V242 Y260 E277 H279	R240-V242 PolarHBondContact O-N 2.69Å; R240-V242 VanDerWaalsContact O-N 3.12Å; R240-Y260 PolarHBondContact N-OH 2.72Å; R240-Y260 PolarHBondContact O-OH 3.37Å; R240-E277 IonicContact CZ-OE2 2.64Å; R240-E277 VanDerWaalsContact CZ-OE2 3.27Å; R240-E277 IonicContact NH1-OE2 3.58Å; R240-E277 PolarHBondContact NH1-OE2 3.4Å; R240-E277 PolarHBondContact NH2-O 2.78Å; R240-E277 IonicContact NH2-OE2 2.82Å; R240-E277 PolarHBondContact NH2-OE2 3.23Å; R240-H279 HydrophobicContact CG-CB 4.07Å
241	D	87.6	Confident	92.7	Very high	51 Å²	51	45.6 Å²	45.6	27%	0.273	23%	0.227	S	C	.	.	S	Bend	trans	48.1	36.5	176.4	-49.7	-59.3	0	0	0	115.4	R80 G243 S262 S264 H268	R80-D241 IonicContact NH1-OD1 3.55Å; D241-G243 PolarHBondContact O-N 2.89Å; D241-S262 WeakPolarHBondContact O-CB 3.13Å; D241-S262 PolarHBondContact O-OG 2.85Å; D241-S264 WeakPolarHBondContact CB-OG 3.47Å; D241-H268 IonicContact OD2-CE1 2.75Å; D241-H268 PolarHBondContact OD2-CE1 2.93Å; D241-H268 IonicContact OD2-NE2 3.47Å; D241-H268 PolarHBondContact OD2-NE2 2.84Å
242	V	88.3	Confident	92.7	Very high	16 Å²	16	44.5 Å²	44.5	10%	0.097	22%	0.223	C	C	.	.			trans	-82.2	103.3	175.4	-175.9	0	0	0	0	110.2	Q219 A239 R240 V246	Q219-V242 HydrophobicContact CB-CB 4.29Å; Q219-V242 HydrophobicContact CB-CG1 4.48Å; Q219-V242 HydrophobicContact CB-CG2 4.26Å; Q219-V242 HydrophobicContact CG-CB 3.92Å; Q219-V242 HydrophobicContact CG-CG1 3.96Å; Q219-V242 HydrophobicContact CG-CG2 4.44Å; Q219-V242 PolarHBondContact NE2-O 2.89Å; A239-V242 HydrophobicContact CB-CG2 3.41Å; A239-V242 VanDerWaalsContact CB-CG2 3.41Å; R240-V242 PolarHBondContact O-N 2.69Å; R240-V242 VanDerWaalsContact O-N 3.12Å; V242-V246 HydrophobicContact CG2-CG2 4.07Å
243	G	83.1	Confident	92.5	Very high	54 Å²	54	40.8 Å²	40.8	56%	0.557	21%	0.21	S	C	*	.	S	Bend	trans	-66.9	-89.7	167.6	0	0	0	0	0	112.1	D241	D241-G243 PolarHBondContact O-N 2.89Å
244	W	82.6	Confident	92.2	Very high	110 Å²	110	41.4 Å²	41.4	42%	0.417	21%	0.214	S	C	.	.	S	Bend	trans	-81.3	-57.4	178.4	-177.8	57.6	0	0	0	113.2	F201 Q217 L247 W531	F201-W244 HydrophobicContact CD1-CZ3 4.5Å; F201-W244 HydrophobicContact CE1-CE3 4.37Å; F201-W244 AromaticContact CE1-CH2 3.46Å; F201-W244 HydrophobicContact CE1-CH2 3.46Å; F201-W244 VanDerWaalsContact CE1-CH2 3.46Å; F201-W244 HydrophobicContact CE1-CZ2 4.3Å; F201-W244 AromaticContact CE1-CZ3 3.47Å; F201-W244 HydrophobicContact CE1-CZ3 3.47Å; F201-W244 VanDerWaalsContact CE1-CZ3 3.47Å; F201-W244 HydrophobicContact CZ-CE3 4.41Å; F201-W244 AromaticContact CZ-CH2 3.37Å; F201-W244 HydrophobicContact CZ-CH2 3.37Å; F201-W244 AromaticContact CZ-CZ2 3.75Å; F201-W244 HydrophobicContact CZ-CZ2 3.75Å; F201-W244 AromaticContact CZ-CZ3 3.72Å; F201-W244 HydrophobicContact CZ-CZ3 3.72Å; Q217-W244 VanDerWaalsContact CG-O 3.25Å; Q217-W244 WeakPolarHBondContact CG-O 3.31Å; W244-L247 HydrophobicContact CE3-CD2 4.15Å; W244-L247 HydrophobicContact CZ3-CD2 4.43Å; W244-W531 HydrophobicContact CH2-CH2 4.35Å; W244-W531 HydrophobicContact CH2-CZ2 4.26Å
245	S	91.3	Very high	92	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.			trans	-157.1	170.3	-178.4	62.8	0	0	0	0	110.6
246	V	95.4	Very high	92	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.			trans	-73.6	119.6	161.8	-179.5	0	0	0	0	107.8	A215 I221 A239 V242 V249 Y260 S261	A215-V246 HydrophobicContact CB-CB 3.87Å; A215-V246 HydrophobicContact CB-CG1 3.75Å; A215-V246 HydrophobicContact CB-CG2 4.39Å; I221-V246 HydrophobicContact CG1-CG2 4.36Å; A239-V246 HydrophobicContact CB-CG2 3.94Å; V242-V246 HydrophobicContact CG2-CG2 4.07Å; V246-V249 HydrophobicContact CG1-CG1 3.62Å; V246-Y260 HydrophobicContact CG1-CD2 4.38Å; V246-S261 CarbonylContact C-O 3.53Å; V246-S261 WeakPolarHBondContact CA-O 3.43Å
247	L	95.6	Very high	91.9	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.21	C	C	.	.			trans	-88.1	-46.4	-168.9	-63.9	176.5	0	0	0	112.3	C202 W244 S261 C292 F294 R470 R515	C202-L247 PolarHBondContact SG-O 2.85Å; C202-L247 VanDerWaalsContact SG-O 3.39Å; W244-L247 HydrophobicContact CE3-CD2 4.15Å; W244-L247 HydrophobicContact CZ3-CD2 4.43Å; L247-S261 PolarHBondContact N-O 2.92Å; L247-C292 HydrophobicContact CD1-CB 3.61Å; L247-F294 HydrophobicContact CD1-CD1 4.19Å; L247-F294 HydrophobicContact CD1-CE1 4.41Å; L247-R470 PolarHBondContact O-NH2 2.83Å; L247-R515 PolarHBondContact O-NH2 2.7Å
248	D	97.6	Very high	92	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	163.5	169.3	-155.1	11.9	0	0	0	112.6	Y260 S261 S295 L296 R470	D248-Y260 WeakPolarHBondContact O-CA 3.38Å; D248-S261 PolarHBondContact N-OG 3.41Å; D248-S261 VanDerWaalsContact N-OG 3.13Å; D248-S261 PolarHBondContact O-N 2.81Å; D248-S295 VanDerWaalsContact OD2-CA 3.25Å; D248-S295 WeakPolarHBondContact OD2-CA 3.37Å; D248-L296 HydrophobicContact CB-CG 4.34Å; D248-L296 PolarHBondContact OD2-N 3.06Å; D248-R470 IonicContact OD1-CZ 3.88Å; D248-R470 IonicContact OD1-NH1 2.96Å; D248-R470 PolarHBondContact OD1-NH1 3.24Å; D248-R470 IonicContact OD1-NH2 2.94Å; D248-R470 PolarHBondContact OD1-NH2 2.9Å; D248-R470 IonicContact OD2-NH2 2.68Å
249	V	97.1	Very high	92.1	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.3	-179.7	-62.1	0	0	0	0	110	C202 V204 L213 A215 V246 L259	C202-V249 HydrophobicContact CB-CG1 4.3Å; C202-V249 HydrophobicContact CB-CG2 3.48Å; C202-V249 VanDerWaalsContact CB-CG2 3.48Å; V204-V249 HydrophobicContact CG1-CG2 3.99Å; L213-V249 HydrophobicContact CD2-CB 3.63Å; L213-V249 HydrophobicContact CD2-CG1 3.9Å; L213-V249 HydrophobicContact CD2-CG2 3.41Å; L213-V249 VanDerWaalsContact CD2-CG2 3.41Å; A215-V249 HydrophobicContact CB-CG1 3.74Å; V246-V249 HydrophobicContact CG1-CG1 3.62Å; V249-L259 CarbonylContact C-O 3.5Å; V249-L259 VanDerWaalsContact CA-O 3.31Å; V249-L259 WeakPolarHBondContact CA-O 3.35Å
250	C	95.6	Very high	92.3	Very high	27 Å²	27	36 Å²	36	18%	0.182	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.7	179.7	-164.3	0	0	0	0	109.9	L259 L296	C250-L259 HydrophobicContact CB-CB 4.26Å; C250-L259 HydrophobicContact CB-CD1 4.35Å; C250-L259 PolarHBondContact N-O 2.77Å; C250-L259 PolarHBondContact O-N 2.98Å; C250-L296 HydrophobicContact CB-CB 4.14Å
251	F	95.8	Very high	92.6	Very high	23 Å²	23	31.8 Å²	31.8	10%	0.101	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	146	167.4	-75.3	-82.8	0	0	0	109.4	V204 M211 L213 I272	V204-F251 HydrophobicContact CG1-CD2 4.31Å; V204-F251 HydrophobicContact CG1-CE2 4.15Å; M211-F251 HydrophobicContact CB-CE1 4.36Å; M211-F251 HydrophobicContact CB-CZ 4.07Å; M211-F251 HydrophobicContact CE-CE1 4.35Å; M211-F251 HydrophobicContact SD-CE1 4.31Å; L213-F251 HydrophobicContact CB-CE2 3.84Å; L213-F251 HydrophobicContact CB-CZ 3.64Å; L213-F251 HydrophobicContact CD1-CE1 4.43Å; L213-F251 HydrophobicContact CD1-CZ 4.25Å; F251-I272 HydrophobicContact CD1-CD1 3.75Å; F251-I272 HydrophobicContact CE1-CD1 3.77Å
252	T	93.9	Very high	92.9	Very high	9 Å²	9	29.3 Å²	29.3	6%	0.055	16%	0.158	C	C	.	.			trans	-69	150.8	160.5	51.1	0	0	0	0	109.9	D254 A255 N257 L259	T252-D254 VanDerWaalsContact CB-OD1 3.31Å; T252-D254 WeakPolarHBondContact CB-OD1 3.42Å; T252-D254 PolarHBondContact O-N 3.14Å; T252-D254 VanDerWaalsContact O-N 3.14Å; T252-D254 PolarHBondContact OG1-OD1 2.95Å; T252-A255 WeakPolarHBondContact O-CA 3.38Å; T252-A255 PolarHBondContact O-N 2.95Å; T252-N257 HydrophobicContact CG2-CB 3.91Å; T252-N257 PolarHBondContact N-O 3.03Å; T252-N257 PolarHBondContact OG1-N 3.07Å; T252-N257 VanDerWaalsContact OG1-N 3.09Å; T252-N257 PolarHBondContact OG1-O 3.34Å; T252-L259 HydrophobicContact CG2-CD1 4.3Å; T252-L259 HydrophobicContact CG2-CG 4.41Å
253	P	91.6	Very high	93.1	Very high	49 Å²	49	31.9 Å²	31.9	32%	0.318	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.7	-175.7	-20.3	29.4	0	0	0	114.1	A255 S299	P253-A255 PolarHBondContact O-N 3.2Å; P253-S299 WeakPolarHBondContact CG-O 3.44Å
254	D	90	Very high	93.6	Very high	80 Å²	80	29.5 Å²	29.5	43%	0.428	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-3	174.2	74.3	-17.2	0	0	0	113.9	T252 R256	T252-D254 VanDerWaalsContact CB-OD1 3.31Å; T252-D254 WeakPolarHBondContact CB-OD1 3.42Å; T252-D254 PolarHBondContact O-N 3.14Å; T252-D254 VanDerWaalsContact O-N 3.14Å; T252-D254 PolarHBondContact OG1-OD1 2.95Å; D254-R256 HydrophobicContact CB-CG 4.3Å; D254-R256 PolarHBondContact O-N 2.67Å; D254-R256 PolarHBondContact OD1-N 3.49Å; D254-R256 WeakPolarHBondContact OD2-CB 3.38Å; D254-R256 VanDerWaalsContact OD2-CD 3.22Å; D254-R256 WeakPolarHBondContact OD2-CD 3.33Å; D254-R256 VanDerWaalsContact OD2-CG 3.31Å; D254-R256 WeakPolarHBondContact OD2-CG 3.49Å; D254-R256 IonicContact OD2-NE 2.69Å
255	A	89	Confident	94.2	Very high	30 Å²	30	26 Å²	26	25%	0.248	13%	0.13	C	C	.	.	S	Bend	trans	52.5	28.6	-174.7	0	0	0	0	0	114.8	T252 P253 I272	T252-A255 WeakPolarHBondContact O-CA 3.38Å; T252-A255 PolarHBondContact O-N 2.95Å; P253-A255 PolarHBondContact O-N 3.2Å; A255-I272 VanDerWaalsContact O-CD1 3.31Å; A255-I272 WeakPolarHBondContact O-CD1 3.48Å
256	R	91.1	Very high	94.4	Very high	160 Å²	160	28.3 Å²	28.3	60%	0.604	14%	0.139	S	C	*	.	S	Bend	trans	-99.6	-19.6	177.7	-61	-172.6	-176.1	172.4	-1.2	114.6	D254 I272	D254-R256 HydrophobicContact CB-CG 4.3Å; D254-R256 PolarHBondContact O-N 2.67Å; D254-R256 PolarHBondContact OD1-N 3.49Å; D254-R256 WeakPolarHBondContact OD2-CB 3.38Å; D254-R256 VanDerWaalsContact OD2-CD 3.22Å; D254-R256 WeakPolarHBondContact OD2-CD 3.33Å; D254-R256 VanDerWaalsContact OD2-CG 3.31Å; D254-R256 WeakPolarHBondContact OD2-CG 3.49Å; D254-R256 IonicContact OD2-NE 2.69Å; R256-I272 WeakPolarHBondContact O-CB 3.38Å; R256-I272 PolarHBondContact O-N 3.27Å
257	N	93.1	Very high	94.5	Very high	35 Å²	35	28.3 Å²	28.3	19%	0.187	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158.4	-177	-51.2	-77.9	0	0	0	111.6	T252 L269 C270 S271	T252-N257 HydrophobicContact CG2-CB 3.91Å; T252-N257 PolarHBondContact N-O 3.03Å; T252-N257 PolarHBondContact OG1-N 3.07Å; T252-N257 VanDerWaalsContact OG1-N 3.09Å; T252-N257 PolarHBondContact OG1-O 3.34Å; N257-L269 HydrophobicContact CB-CD1 4.48Å; N257-L269 HydrophobicContact CB-CD2 3.89Å; N257-L269 HydrophobicContact CB-CG 4.03Å; N257-C270 CarbonylContact C-O 3.48Å; N257-C270 VanDerWaalsContact CA-O 3.24Å; N257-C270 WeakPolarHBondContact CA-O 3.42Å; N257-C270 WeakPolarHBondContact CB-O 3.4Å; N257-S271 WeakPolarHBondContact OD1-CA 3.21Å
258	V	94.8	Very high	94.5	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.03	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.2	171.5	176.4	0	0	0	0	108.1	L213 L223 L269 C270 I272	L213-V258 HydrophobicContact CD1-CB 4.12Å; L213-V258 HydrophobicContact CD1-CG1 3.59Å; L213-V258 HydrophobicContact CD1-CG2 3.33Å; L223-V258 HydrophobicContact CD2-CG2 3.95Å; V258-L269 WeakPolarHBondContact O-CA 3.47Å; V258-C270 PolarHBondContact N-O 3.22Å; V258-C270 PolarHBondContact O-N 2.87Å; V258-I272 HydrophobicContact CG2-CD1 4Å; V258-I272 HydrophobicContact CG2-CG1 3.79Å
259	L	96.7	Very high	94.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	139.6	163.8	-61.1	156	0	0	0	108.2	V249 C250 T252 I267 H268 L269 L282 L296 A298 I305	V249-L259 CarbonylContact C-O 3.5Å; V249-L259 VanDerWaalsContact CA-O 3.31Å; V249-L259 WeakPolarHBondContact CA-O 3.35Å; C250-L259 HydrophobicContact CB-CB 4.26Å; C250-L259 HydrophobicContact CB-CD1 4.35Å; C250-L259 PolarHBondContact N-O 2.77Å; C250-L259 PolarHBondContact O-N 2.98Å; T252-L259 HydrophobicContact CG2-CD1 4.3Å; T252-L259 HydrophobicContact CG2-CG 4.41Å; L259-I267 HydrophobicContact CB-CG2 4.47Å; L259-I267 HydrophobicContact CD2-CG2 4.23Å; L259-H268 CarbonylContact C-O 3.49Å; L259-H268 WeakPolarHBondContact CA-O 3.49Å; L259-L269 HydrophobicContact CD2-CB 4.08Å; L259-L269 HydrophobicContact CD2-CD1 4.11Å; L259-L269 HydrophobicContact CD2-CG 4.27Å; L259-L282 HydrophobicContact CD2-CD1 4.01Å; L259-L296 HydrophobicContact CB-CD1 4.24Å; L259-A298 HydrophobicContact CD1-CB 4.04Å; L259-I305 HydrophobicContact CD1-CD1 3.42Å; L259-I305 VanDerWaalsContact CD1-CD1 3.42Å; L259-I305 HydrophobicContact CD1-CG1 4.1Å; L259-I305 HydrophobicContact CD1-CG2 4.18Å; L259-I305 HydrophobicContact CD2-CD1 4.13Å; L259-I305 HydrophobicContact CD2-CG1 4.05Å; L259-I305 HydrophobicContact CG-CD1 4.4Å
260	Y	97.3	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	157.1	168.3	72	-97	0	0	0	111.9	I221 A239 R240 V246 D248 H268 H279	I221-Y260 HydrophobicContact CD1-CD1 3.25Å; I221-Y260 HydrophobicContact CD1-CD2 4.2Å; I221-Y260 HydrophobicContact CD1-CE1 3.85Å; I221-Y260 HydrophobicContact CD1-CG 3.46Å; I221-Y260 VanDerWaalsContact CD1-CG 3.46Å; A239-Y260 HydrophobicContact CB-CD2 4.19Å; A239-Y260 HydrophobicContact CB-CE1 4.21Å; A239-Y260 HydrophobicContact CB-CE2 3.62Å; R240-Y260 PolarHBondContact N-OH 2.72Å; R240-Y260 PolarHBondContact O-OH 3.37Å; V246-Y260 HydrophobicContact CG1-CD2 4.38Å; D248-Y260 WeakPolarHBondContact O-CA 3.38Å; Y260-H268 HydrophobicContact CD1-CB 4.08Å; Y260-H268 HydrophobicContact CD2-CB 4.35Å; Y260-H268 HydrophobicContact CE1-CB 3.49Å; Y260-H268 VanDerWaalsContact CE1-CB 3.49Å; Y260-H268 HydrophobicContact CE2-CB 3.75Å; Y260-H268 AromaticContact CE2-CG 3.77Å; Y260-H268 AromaticContact CE2-ND1 3.35Å; Y260-H268 WeakPolarHBondContact CE2-ND1 3.23Å; Y260-H268 HydrophobicContact CG-CB 4.48Å; Y260-H268 AromaticContact CZ-CG 3.54Å; Y260-H268 AromaticContact CZ-ND1 3.64Å; Y260-H268 PolarHBondContact N-O 3.4Å; Y260-H268 PolarHBondContact O-N 2.8Å; Y260-H268 VanDerWaalsContact OH-CB 3.28Å; Y260-H268 WeakPolarHBondContact OH-CB 3.34Å; Y260-H268 PolarHBondContact OH-ND1 3.28Å; Y260-H279 AromaticContact CE1-CE1 3.8Å; Y260-H279 AromaticContact CE1-ND1 3.49Å; Y260-H279 WeakPolarHBondContact CE1-ND1 3.4Å; Y260-H279 AromaticContact CZ-ND1 3.65Å; Y260-H279 PolarHBondContact OH-ND1 3.1Å
261	S	96.9	Very high	94.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.4	174.9	62.3	0	0	0	0	112.1	V246 L247 D248 V293	V246-S261 CarbonylContact C-O 3.53Å; V246-S261 WeakPolarHBondContact CA-O 3.43Å; L247-S261 PolarHBondContact N-O 2.92Å; D248-S261 PolarHBondContact N-OG 3.41Å; D248-S261 VanDerWaalsContact N-OG 3.13Å; D248-S261 PolarHBondContact O-N 2.81Å; S261-V293 WeakPolarHBondContact CB-O 3.43Å; S261-V293 PolarHBondContact OG-O 3.11Å
262	S	94.8	Very high	93.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.			trans	-142.2	-168.4	175.5	67.8	0	0	0	0	109.8	D241 S264 C292	D241-S262 WeakPolarHBondContact O-CB 3.13Å; D241-S262 PolarHBondContact O-OG 2.85Å; S262-S264 PolarHBondContact O-N 2.77Å; S262-S264 VanDerWaalsContact OG-CB 3.31Å; S262-S264 WeakPolarHBondContact OG-CB 3.24Å; S262-C292 WeakPolarHBondContact O-CB 3.24Å
263	W	92.6	Very high	93.4	Very high	69 Å²	69	34.8 Å²	34.8	26%	0.261	18%	0.176	S	C	.	.	S	Bend	trans	-76.1	75.6	160.8	-71.1	82.9	0	0	0	110.1	R290 F291 C292	W263-R290 HydrophobicContact CE3-CG 4.01Å; W263-R290 HydrophobicContact CZ3-CG 3.91Å; W263-F291 CarbonylContact C-O 3.53Å; W263-C292 HydrophobicContact CB-CB 4.41Å; W263-C292 HydrophobicContact CD2-CB 3.79Å; W263-C292 HydrophobicContact CE3-CB 3.76Å; W263-C292 HydrophobicContact CG-CB 4.07Å; W263-C292 HydrophobicContact CZ3-CB 4.27Å
264	S	93.3	Very high	92.9	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.028	18%	0.179	C	C	.	.	S	Bend	trans	-155.3	153.1	179.4	-174.4	0	0	0	0	110.5	D241 S262 Y266 F291	D241-S264 WeakPolarHBondContact CB-OG 3.47Å; S262-S264 PolarHBondContact O-N 2.77Å; S262-S264 VanDerWaalsContact OG-CB 3.31Å; S262-S264 WeakPolarHBondContact OG-CB 3.24Å; S264-Y266 PolarHBondContact O-N 3.01Å; S264-Y266 WeakPolarHBondContact OG-CD2 3.42Å; S264-F291 PolarHBondContact N-O 3.05Å; S264-F291 WeakPolarHBondContact O-CD1 3.19Å
265	D	94.5	Very high	92.3	Very high	36 Å²	36	34.5 Å²	34.5	19%	0.193	18%	0.181	C	C	.	.	S	Bend	trans	-66.2	-1.2	175.4	-44.4	-38.2	0	0	0	113.6	R80 L284 P286	R80-D265 IonicContact CZ-OD2 2.81Å; R80-D265 IonicContact NE-OD2 2.71Å; R80-D265 PolarHBondContact NE-OD2 2.84Å; R80-D265 IonicContact NH2-OD2 3.34Å; R80-D265 PolarHBondContact NH2-OD2 3.33Å; D265-L284 WeakPolarHBondContact O-CB 3.17Å; D265-L284 PolarHBondContact O-N 2.93Å; D265-L284 VanDerWaalsContact O-N 3.12Å; D265-P286 HydrophobicContact CB-CG 4Å
266	Y	95.4	Very high	91.6	Very high	49 Å²	49	35 Å²	35	19%	0.192	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.5	-172.3	-58	-58.5	0	0	0	110.7	S264 A281 L282 D283	S264-Y266 PolarHBondContact O-N 3.01Å; S264-Y266 WeakPolarHBondContact OG-CD2 3.42Å; Y266-A281 HydrophobicContact CD1-CB 3.93Å; Y266-A281 HydrophobicContact CD2-CB 4.36Å; Y266-A281 HydrophobicContact CE1-CB 4.48Å; Y266-A281 HydrophobicContact CG-CB 3.92Å; Y266-L282 WeakPolarHBondContact CA-O 3.05Å; Y266-D283 HydrophobicContact CD1-CB 4.11Å; Y266-D283 HydrophobicContact CE1-CB 3.84Å
267	I	97.1	Very high	91.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.3	151.7	-59.1	168.9	0	0	0	106	L259 L282 L284 V293 L296 I305	L259-I267 HydrophobicContact CB-CG2 4.47Å; L259-I267 HydrophobicContact CD2-CG2 4.23Å; I267-L282 HydrophobicContact CB-CB 4.29Å; I267-L282 HydrophobicContact CB-CD1 4.28Å; I267-L282 HydrophobicContact CG2-CD1 4.2Å; I267-L282 PolarHBondContact N-O 2.88Å; I267-L282 VanDerWaalsContact N-O 3.15Å; I267-L282 WeakPolarHBondContact O-CA 3.35Å; I267-L282 WeakPolarHBondContact O-CB 3.31Å; I267-L282 VanDerWaalsContact O-CG 3.31Å; I267-L282 WeakPolarHBondContact O-CG 3.45Å; I267-L282 PolarHBondContact O-N 3.06Å; I267-L284 HydrophobicContact CD1-CD1 3.9Å; I267-L284 HydrophobicContact CD1-CD2 4.22Å; I267-L284 HydrophobicContact CD1-CG 4.42Å; I267-L284 HydrophobicContact CG1-CD1 3.91Å; I267-L284 HydrophobicContact CG1-CG 4.38Å; I267-V293 HydrophobicContact CG1-CG2 4.35Å; I267-L296 HydrophobicContact CD1-CD2 3.53Å; I267-L296 HydrophobicContact CG1-CD2 3.86Å; I267-L296 HydrophobicContact CG2-CD1 4.22Å; I267-L296 HydrophobicContact CG2-CD2 3.96Å; I267-I305 HydrophobicContact CD1-CG2 4.06Å
268	H	96.5	Very high	90.9	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139	177.9	-57.3	87.9	0	0	0	111	D241 L259 Y260 T280	D241-H268 IonicContact OD2-CE1 2.75Å; D241-H268 PolarHBondContact OD2-CE1 2.93Å; D241-H268 IonicContact OD2-NE2 3.47Å; D241-H268 PolarHBondContact OD2-NE2 2.84Å; L259-H268 CarbonylContact C-O 3.49Å; L259-H268 WeakPolarHBondContact CA-O 3.49Å; Y260-H268 HydrophobicContact CD1-CB 4.08Å; Y260-H268 HydrophobicContact CD2-CB 4.35Å; Y260-H268 HydrophobicContact CE1-CB 3.49Å; Y260-H268 VanDerWaalsContact CE1-CB 3.49Å; Y260-H268 HydrophobicContact CE2-CB 3.75Å; Y260-H268 AromaticContact CE2-CG 3.77Å; Y260-H268 AromaticContact CE2-ND1 3.35Å; Y260-H268 WeakPolarHBondContact CE2-ND1 3.23Å; Y260-H268 HydrophobicContact CG-CB 4.48Å; Y260-H268 AromaticContact CZ-CG 3.54Å; Y260-H268 AromaticContact CZ-ND1 3.64Å; Y260-H268 PolarHBondContact N-O 3.4Å; Y260-H268 PolarHBondContact O-N 2.8Å; Y260-H268 VanDerWaalsContact OH-CB 3.28Å; Y260-H268 WeakPolarHBondContact OH-CB 3.34Å; Y260-H268 PolarHBondContact OH-ND1 3.28Å; H268-T280 WeakPolarHBondContact CA-O 3.4Å
269	L	95.2	Very high	90.8	Very high	25 Å²	25	37 Å²	37	13%	0.131	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.2	172.3	-176.1	158.2	0	0	0	109.3	N257 V258 L259 H279 T280 L282 L319	N257-L269 HydrophobicContact CB-CD1 4.48Å; N257-L269 HydrophobicContact CB-CD2 3.89Å; N257-L269 HydrophobicContact CB-CG 4.03Å; V258-L269 WeakPolarHBondContact O-CA 3.47Å; L259-L269 HydrophobicContact CD2-CB 4.08Å; L259-L269 HydrophobicContact CD2-CD1 4.11Å; L259-L269 HydrophobicContact CD2-CG 4.27Å; L269-H279 WeakPolarHBondContact O-CA 3.12Å; L269-T280 PolarHBondContact N-O 2.77Å; L269-T280 PolarHBondContact O-N 2.98Å; L269-L282 HydrophobicContact CB-CD1 4.41Å; L269-L319 HydrophobicContact CD1-CD1 4.39Å; L269-L319 HydrophobicContact CD1-CD2 4.23Å
270	C	94	Very high	90.7	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.034	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.6	176.3	179	0	0	0	0	110.4	N257 V258	N257-C270 CarbonylContact C-O 3.48Å; N257-C270 VanDerWaalsContact CA-O 3.24Å; N257-C270 WeakPolarHBondContact CA-O 3.42Å; N257-C270 WeakPolarHBondContact CB-O 3.4Å; V258-C270 PolarHBondContact N-O 3.22Å; V258-C270 PolarHBondContact O-N 2.87Å
271	S	92	Very high	90.6	Very high	38 Å²	38	42.7 Å²	42.7	27%	0.266	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	143.5	173.8	-172	0	0	0	0	112	N257 G274	N257-S271 WeakPolarHBondContact OD1-CA 3.21Å; S271-G274 PolarHBondContact OG-N 3.44Å; S271-G274 VanDerWaalsContact OG-N 3.16Å
272	I	89.3	Confident	90.6	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.062	24%	0.24	C	C	.	.	S	Bend	trans	-76.5	-42.6	176.6	-73.6	171.7	0	0	0	111.4	M211 L223 R235 F251 A255 R256 V258	M211-I272 HydrophobicContact CE-CD1 4.28Å; M211-I272 HydrophobicContact CE-CG2 3.56Å; M211-I272 HydrophobicContact SD-CD1 4.4Å; M211-I272 HydrophobicContact SD-CG2 4.15Å; L223-I272 HydrophobicContact CD2-CD1 4.3Å; L223-I272 HydrophobicContact CD2-CG1 3.82Å; L223-I272 HydrophobicContact CD2-CG2 4.32Å; R235-I272 PolarHBondContact NE-O 3.25Å; R235-I272 VanDerWaalsContact NE-O 3.15Å; R235-I272 PolarHBondContact NH1-O 3.09Å; R235-I272 VanDerWaalsContact NH1-O 3.08Å; R235-I272 PolarHBondContact NH2-O 3.47Å; F251-I272 HydrophobicContact CD1-CD1 3.75Å; F251-I272 HydrophobicContact CE1-CD1 3.77Å; A255-I272 VanDerWaalsContact O-CD1 3.31Å; A255-I272 WeakPolarHBondContact O-CD1 3.48Å; R256-I272 WeakPolarHBondContact O-CB 3.38Å; R256-I272 PolarHBondContact O-N 3.27Å; V258-I272 HydrophobicContact CG2-CD1 4Å; V258-I272 HydrophobicContact CG2-CG1 3.79Å
273	D	86.3	Confident	90.7	Very high	129 Å²	129	46.2 Å²	46.2	69%	0.69	26%	0.258	S	S	*	.	S	Bend	trans	-95.9	-28.2	-177.7	-70.4	-48.3	0	0	0	113.2	R235	R235-D273 PolarHBondContact NH2-O 3.36Å
274	G	80.7	Confident	90.8	Very high	37 Å²	37	42.9 Å²	42.9	38%	0.381	25%	0.246	S	C	.	.	S	Bend	trans	-70.7	-151	-171.3	0	0	0	0	0	115.7	R235 S271	R235-G274 PolarHBondContact NH1-O 3.18Å; R235-G274 PolarHBondContact NH2-O 3.48Å; S271-G274 PolarHBondContact OG-N 3.44Å; S271-G274 VanDerWaalsContact OG-N 3.16Å
275	D	77.3	Confident	90.9	Very high	87 Å²	87	48 Å²	48	47%	0.465	27%	0.273	S	S	.	.			trans	-77.8	130.3	173.6	-176.9	-3.8	0	0	0	110.6	E277 N278	D275-E277 VanDerWaalsContact C-N 3.29Å; D275-E277 PolarHBondContact O-N 3.46Å; D275-E277 PolarHBondContact OD1-N 2.76Å; D275-N278 HydrophobicContact CB-CB 4.33Å; D275-N278 PolarHBondContact O-N 3.03Å; D275-N278 PolarHBondContact OD2-ND2 2.87Å
276	S	75.6	Confident	90.9	Very high	39 Å²	39	47.2 Å²	47.2	27%	0.273	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-10.9	-179.8	54	0	0	0	0	114.6	H279	S276-H279 PolarHBondContact O-NE2 3.05Å
277	E	80.8	Confident	90.6	Very high	98 Å²	98	51.4 Å²	51.4	46%	0.458	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-14	174.6	-66.7	-61.3	131.9	0	0	112.9	R240 D275	R240-E277 IonicContact CZ-OE2 2.64Å; R240-E277 VanDerWaalsContact CZ-OE2 3.27Å; R240-E277 IonicContact NH1-OE2 3.58Å; R240-E277 PolarHBondContact NH1-OE2 3.4Å; R240-E277 PolarHBondContact NH2-O 2.78Å; R240-E277 IonicContact NH2-OE2 2.82Å; R240-E277 PolarHBondContact NH2-OE2 3.23Å; D275-E277 VanDerWaalsContact C-N 3.29Å; D275-E277 PolarHBondContact O-N 3.46Å; D275-E277 PolarHBondContact OD1-N 2.76Å
278	N	87.3	Confident	90	Very high	111 Å²	111	55.3 Å²	55.3	59%	0.594	31%	0.314	S	S	*	.			trans	-93.9	108.4	-175.6	-82.9	-59.3	0	0	0	112	D275	D275-N278 HydrophobicContact CB-CB 4.33Å; D275-N278 PolarHBondContact O-N 3.03Å; D275-N278 PolarHBondContact OD2-ND2 2.87Å
279	H	93.2	Very high	89.3	Confident	33 Å²	33	67.1 Å²	67.1	15%	0.153	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.2	-179.4	-67.5	-134.5	0	0	0	109.8	K238 R240 Y260 L269 S276	K238-H279 PolarHBondContact O-CE1 2.73Å; K238-H279 PolarHBondContact O-NE2 2.84Å; R240-H279 HydrophobicContact CG-CB 4.07Å; Y260-H279 AromaticContact CE1-CE1 3.8Å; Y260-H279 AromaticContact CE1-ND1 3.49Å; Y260-H279 WeakPolarHBondContact CE1-ND1 3.4Å; Y260-H279 AromaticContact CZ-ND1 3.65Å; Y260-H279 PolarHBondContact OH-ND1 3.1Å; L269-H279 WeakPolarHBondContact O-CA 3.12Å; S276-H279 PolarHBondContact O-NE2 3.05Å
280	T	94.2	Very high	89	Confident	74 Å²	74	73.8 Å²	73.8	45%	0.454	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.7	170.8	-54.3	0	0	0	0	109.1	H268 L269 L282	H268-T280 WeakPolarHBondContact CA-O 3.4Å; L269-T280 PolarHBondContact N-O 2.77Å; L269-T280 PolarHBondContact O-N 2.98Å; T280-L282 HydrophobicContact CG2-CD2 3.92Å
281	A	95.6	Very high	89	Confident	46 Å²	46	73.7 Å²	73.7	38%	0.38	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.3	173.3	0	0	0	0	0	110.3	Y266	Y266-A281 HydrophobicContact CD1-CB 3.93Å; Y266-A281 HydrophobicContact CD2-CB 4.36Å; Y266-A281 HydrophobicContact CE1-CB 4.48Å; Y266-A281 HydrophobicContact CG-CB 3.92Å
282	L	96.8	Very high	89.2	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	101.9	179.6	-48.4	176.5	0	0	0	108.2	L259 Y266 I267 L269 T280 L284 I305 F317 L319	L259-L282 HydrophobicContact CD2-CD1 4.01Å; Y266-L282 WeakPolarHBondContact CA-O 3.05Å; I267-L282 HydrophobicContact CB-CB 4.29Å; I267-L282 HydrophobicContact CB-CD1 4.28Å; I267-L282 HydrophobicContact CG2-CD1 4.2Å; I267-L282 PolarHBondContact N-O 2.88Å; I267-L282 VanDerWaalsContact N-O 3.15Å; I267-L282 WeakPolarHBondContact O-CA 3.35Å; I267-L282 WeakPolarHBondContact O-CB 3.31Å; I267-L282 VanDerWaalsContact O-CG 3.31Å; I267-L282 WeakPolarHBondContact O-CG 3.45Å; I267-L282 PolarHBondContact O-N 3.06Å; L269-L282 HydrophobicContact CB-CD1 4.41Å; T280-L282 HydrophobicContact CG2-CD2 3.92Å; L282-L284 PolarHBondContact O-N 3.34Å; L282-I305 HydrophobicContact CD1-CG1 4.5Å; L282-F317 HydrophobicContact CB-CD1 4.17Å; L282-F317 HydrophobicContact CB-CD2 3.99Å; L282-F317 HydrophobicContact CB-CE1 3.95Å; L282-F317 HydrophobicContact CB-CE2 3.75Å; L282-F317 HydrophobicContact CB-CG 4.2Å; L282-F317 HydrophobicContact CB-CZ 3.72Å; L282-F317 HydrophobicContact CD1-CD1 4.37Å; L282-F317 HydrophobicContact CD2-CD1 4.33Å; L282-F317 HydrophobicContact CD2-CE1 3.66Å; L282-F317 HydrophobicContact CD2-CZ 3.9Å; L282-F317 HydrophobicContact CG-CE1 4.23Å; L282-F317 HydrophobicContact CG-CZ 4.38Å; L282-L319 HydrophobicContact CD1-CD2 3.72Å; L282-L319 HydrophobicContact CD2-CD2 3.69Å; L282-L319 HydrophobicContact CG-CD2 4.37Å
283	D	96.4	Very high	89.6	Confident	73 Å²	73	71.4 Å²	71.4	39%	0.39	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	117.4	-173.6	-159.8	-22.2	0	0	0	112.8	Y266 N285 F317	Y266-D283 HydrophobicContact CD1-CB 4.11Å; Y266-D283 HydrophobicContact CE1-CB 3.84Å; D283-N285 WeakPolarHBondContact OD1-CA 3.49Å; D283-N285 PolarHBondContact OD1-N 2.95Å; D283-F317 WeakPolarHBondContact O-CE2 3.25Å
284	L	96.3	Very high	90.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.338	C	S	.	.			trans	-90.4	-14.3	174.1	-62.1	-169.2	0	0	0	112.8	D265 I267 L282 F291 V293 Y315 F317 R324	D265-L284 WeakPolarHBondContact O-CB 3.17Å; D265-L284 PolarHBondContact O-N 2.93Å; D265-L284 VanDerWaalsContact O-N 3.12Å; I267-L284 HydrophobicContact CD1-CD1 3.9Å; I267-L284 HydrophobicContact CD1-CD2 4.22Å; I267-L284 HydrophobicContact CD1-CG 4.42Å; I267-L284 HydrophobicContact CG1-CD1 3.91Å; I267-L284 HydrophobicContact CG1-CG 4.38Å; L282-L284 PolarHBondContact O-N 3.34Å; L284-F291 HydrophobicContact CB-CE1 4.36Å; L284-F291 HydrophobicContact CB-CZ 4.46Å; L284-F291 HydrophobicContact CD1-CE1 3.86Å; L284-F291 HydrophobicContact CD1-CZ 3.94Å; L284-V293 HydrophobicContact CD1-CG2 3.62Å; L284-Y315 HydrophobicContact CB-CD1 3.74Å; L284-Y315 HydrophobicContact CB-CE1 3.9Å; L284-Y315 HydrophobicContact CD1-CD1 4.06Å; L284-Y315 HydrophobicContact CD1-CG 4.01Å; L284-Y315 HydrophobicContact CD2-CD1 4.1Å; L284-Y315 HydrophobicContact CD2-CG 4.47Å; L284-Y315 HydrophobicContact CG-CD1 4.18Å; L284-Y315 VanDerWaalsContact O-CE1 3.31Å; L284-Y315 WeakPolarHBondContact O-CE1 3.35Å; L284-F317 HydrophobicContact CD2-CB 4.27Å; L284-F317 HydrophobicContact CD2-CD2 4.04Å; L284-R324 WeakPolarHBondContact O-CD 3.3Å; L284-R324 PolarHBondContact O-NH1 2.81Å
285	N	94.8	Very high	91	Very high	112 Å²	112	64.7 Å²	64.7	60%	0.599	32%	0.32	S	S	*	.			trans	40.4	65	-179.7	-172.2	28.5	0	0	0	113.2	D283 R324	D283-N285 WeakPolarHBondContact OD1-CA 3.49Å; D283-N285 PolarHBondContact OD1-N 2.95Å; N285-R324 PolarHBondContact O-NH1 3.48Å
286	P	93.8	Very high	92	Very high	18 Å²	18	61 Å²	61	12%	0.117	30%	0.3	C	S	.	.			trans	-74.9	157.5	-179.8	34.5	-37	0	0	0	112.1	D265 F291	D265-P286 HydrophobicContact CB-CG 4Å; P286-F291 HydrophobicContact CB-CB 4.04Å; P286-F291 HydrophobicContact CB-CD1 4.22Å; P286-F291 HydrophobicContact CB-CD2 3.36Å; P286-F291 HydrophobicContact CB-CE2 3.72Å; P286-F291 HydrophobicContact CB-CG 3.62Å; P286-F291 HydrophobicContact CB-CZ 4.28Å; P286-F291 HydrophobicContact CG-CB 3.71Å; P286-F291 HydrophobicContact CG-CD1 3.91Å; P286-F291 HydrophobicContact CG-CD2 3.91Å; P286-F291 HydrophobicContact CG-CE1 4.47Å; P286-F291 HydrophobicContact CG-CE2 4.46Å; P286-F291 HydrophobicContact CG-CG 3.58Å
287	D	90.3	Very high	93	Very high	137 Å²	137	59.8 Å²	59.8	73%	0.733	29%	0.292	S	S	*	.	S	Bend	trans	-82.3	-16.7	175.5	-51.1	-82.8	0	0	0	112.4	K327	D287-K327 IonicContact OD2-NZ 2.94Å; D287-K327 PolarHBondContact OD2-NZ 2.98Å
288	E	84.8	Confident	93.7	Very high	84 Å²	84	56 Å²	56	39%	0.393	28%	0.277	S	S	.	.	S	Bend	trans	-87.5	147.2	179.8	-66.5	-155.1	154	0	0	113.4	N310 D311	E288-N310 PolarHBondContact OE2-ND2 3.14Å; E288-D311 HydrophobicContact CG-CB 3.91Å
289	R	80.8	Confident	94.1	Very high	250 Å²	250	50.7 Å²	50.7	94%	0.943	25%	0.249	S	C	*	.	S	Bend	trans	-81.5	-12.1	177	-66.3	-174	178.3	-170.5	-0.3	115.2
290	R	89.3	Confident	94.1	Very high	166 Å²	166	52.2 Å²	52.2	63%	0.626	26%	0.261	S	S	*	.	S	Bend	trans	-135	64	-176.3	-168.8	-162.5	167.3	136.7	1.1	109.5	W263	W263-R290 HydrophobicContact CE3-CG 4.01Å; W263-R290 HydrophobicContact CZ3-CG 3.91Å
291	F	94.3	Very high	94	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.013	27%	0.266	C	S	.	.			trans	-88.6	150.8	-173.6	-178.7	-95.3	0	0	0	112.9	W263 S264 L284 P286 V293 A309 N310 Y315	W263-F291 CarbonylContact C-O 3.53Å; S264-F291 PolarHBondContact N-O 3.05Å; S264-F291 WeakPolarHBondContact O-CD1 3.19Å; L284-F291 HydrophobicContact CB-CE1 4.36Å; L284-F291 HydrophobicContact CB-CZ 4.46Å; L284-F291 HydrophobicContact CD1-CE1 3.86Å; L284-F291 HydrophobicContact CD1-CZ 3.94Å; P286-F291 HydrophobicContact CB-CB 4.04Å; P286-F291 HydrophobicContact CB-CD1 4.22Å; P286-F291 HydrophobicContact CB-CD2 3.36Å; P286-F291 HydrophobicContact CB-CE2 3.72Å; P286-F291 HydrophobicContact CB-CG 3.62Å; P286-F291 HydrophobicContact CB-CZ 4.28Å; P286-F291 HydrophobicContact CG-CB 3.71Å; P286-F291 HydrophobicContact CG-CD1 3.91Å; P286-F291 HydrophobicContact CG-CD2 3.91Å; P286-F291 HydrophobicContact CG-CE1 4.47Å; P286-F291 HydrophobicContact CG-CE2 4.46Å; P286-F291 HydrophobicContact CG-CG 3.58Å; F291-V293 HydrophobicContact CE1-CG2 3.7Å; F291-V293 HydrophobicContact CZ-CG2 3.91Å; F291-A309 HydrophobicContact CD2-CB 4.35Å; F291-A309 HydrophobicContact CE2-CB 3.39Å; F291-A309 HydrophobicContact CZ-CB 3.53Å; F291-N310 VanDerWaalsContact CA-OD1 3.32Å; F291-N310 WeakPolarHBondContact CA-OD1 3.39Å; F291-Y315 HydrophobicContact CE2-CD2 4.36Å; F291-Y315 AromaticContact CE2-CE2 3.53Å; F291-Y315 HydrophobicContact CE2-CE2 3.53Å; F291-Y315 AromaticContact CE2-CZ 3.67Å; F291-Y315 HydrophobicContact CZ-CD2 4.07Å; F291-Y315 HydrophobicContact CZ-CE1 4.39Å; F291-Y315 AromaticContact CZ-CE2 3.65Å; F291-Y315 HydrophobicContact CZ-CE2 3.65Å; F291-Y315 AromaticContact CZ-CZ 3.82Å
292	C	95.4	Very high	93.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.26	C	S	.	.			trans	-156.5	155.7	168.9	71.7	0	0	0	0	112.1	L247 S262 W263 F294 A309 N310	L247-C292 HydrophobicContact CD1-CB 3.61Å; S262-C292 WeakPolarHBondContact O-CB 3.24Å; W263-C292 HydrophobicContact CB-CB 4.41Å; W263-C292 HydrophobicContact CD2-CB 3.79Å; W263-C292 HydrophobicContact CE3-CB 3.76Å; W263-C292 HydrophobicContact CG-CB 4.07Å; W263-C292 HydrophobicContact CZ3-CB 4.27Å; C292-F294 WeakPolarHBondContact SG-CZ 3.38Å; C292-A309 VanDerWaalsContact O-CA 3.29Å; C292-A309 WeakPolarHBondContact O-CA 3.32Å; C292-A309 WeakPolarHBondContact O-CB 3.37Å; C292-N310 PolarHBondContact N-OD1 3.12Å; C292-N310 PolarHBondContact O-N 3.42Å; C292-N310 PolarHBondContact O-OD1 3.06Å
293	V	97.9	Very high	93.7	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.9	174.5	177.2	0	0	0	0	109.3	S261 I267 L284 F291 S295 L296 G308 A309	S261-V293 WeakPolarHBondContact CB-O 3.43Å; S261-V293 PolarHBondContact OG-O 3.11Å; I267-V293 HydrophobicContact CG1-CG2 4.35Å; L284-V293 HydrophobicContact CD1-CG2 3.62Å; F291-V293 HydrophobicContact CE1-CG2 3.7Å; F291-V293 HydrophobicContact CZ-CG2 3.91Å; V293-S295 VanDerWaalsContact CG1-O 3.28Å; V293-S295 WeakPolarHBondContact CG1-O 3.39Å; V293-L296 HydrophobicContact CG1-CD2 3.68Å; V293-L296 HydrophobicContact CG1-CG 4.28Å; V293-G308 CarbonylContact C-O 3.58Å; V293-G308 WeakPolarHBondContact CA-O 3.11Å; V293-G308 WeakPolarHBondContact CG1-O 3.45Å; V293-A309 HydrophobicContact CG2-CB 4.44Å
294	F	97.8	Very high	93.6	Very high	24 Å²	24	54.2 Å²	54.2	11%	0.105	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-23.7	-175.8	-70.3	-59	0	0	0	114.4	L247 C292 G308 N310 D334 L468	L247-F294 HydrophobicContact CD1-CD1 4.19Å; L247-F294 HydrophobicContact CD1-CE1 4.41Å; C292-F294 WeakPolarHBondContact SG-CZ 3.38Å; F294-G308 PolarHBondContact N-O 2.87Å; F294-N310 HydrophobicContact CD2-CB 4.44Å; F294-N310 HydrophobicContact CE2-CB 3.54Å; F294-N310 HydrophobicContact CZ-CB 4.06Å; F294-D334 HydrophobicContact CD2-CB 4.43Å; F294-D334 HydrophobicContact CE2-CB 3.93Å; F294-D334 VanDerWaalsContact CE2-OD2 3.23Å; F294-D334 WeakPolarHBondContact CE2-OD2 3.44Å; F294-L468 HydrophobicContact CB-CD1 4.07Å; F294-L468 HydrophobicContact CD1-CD1 3.94Å; F294-L468 HydrophobicContact CG-CD1 4.07Å
295	S	98.1	Very high	93.7	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.8	-178.9	-177	0	0	0	0	111.9	D248 V293 G307 G308 N336 V338	D248-S295 VanDerWaalsContact OD2-CA 3.25Å; D248-S295 WeakPolarHBondContact OD2-CA 3.37Å; V293-S295 VanDerWaalsContact CG1-O 3.28Å; V293-S295 WeakPolarHBondContact CG1-O 3.39Å; S295-G307 WeakPolarHBondContact O-CA 3.49Å; S295-G308 PolarHBondContact O-N 3.04Å; S295-G308 VanDerWaalsContact O-N 3.07Å; S295-N336 WeakPolarHBondContact CB-O 3.4Å; S295-V338 WeakPolarHBondContact O-CG2 3.48Å; S295-V338 PolarHBondContact OG-N 2.96Å
296	L	98.1	Very high	93.8	Very high	10 Å²	10	49 Å²	49	5%	0.052	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.2	-178.5	-68	174.3	0	0	0	111.7	D248 C250 L259 I267 V293 I305 L306	D248-L296 HydrophobicContact CB-CG 4.34Å; D248-L296 PolarHBondContact OD2-N 3.06Å; C250-L296 HydrophobicContact CB-CB 4.14Å; L259-L296 HydrophobicContact CB-CD1 4.24Å; I267-L296 HydrophobicContact CD1-CD2 3.53Å; I267-L296 HydrophobicContact CG1-CD2 3.86Å; I267-L296 HydrophobicContact CG2-CD1 4.22Å; I267-L296 HydrophobicContact CG2-CD2 3.96Å; V293-L296 HydrophobicContact CG1-CD2 3.68Å; V293-L296 HydrophobicContact CG1-CG 4.28Å; L296-I305 HydrophobicContact CD2-CG2 4.42Å; L296-L306 WeakPolarHBondContact CA-O 3.25Å
297	A	97.3	Very high	94	Very high	12 Å²	12	48.2 Å²	48.2	10%	0.099	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	137.1	164.9	0	0	0	0	0	111	L306 V338 F340	A297-L306 PolarHBondContact N-O 3.31Å; A297-L306 PolarHBondContact O-N 3.47Å; A297-V338 HydrophobicContact CB-CG2 4.35Å; A297-F340 HydrophobicContact CB-CD2 3.76Å; A297-F340 HydrophobicContact CB-CE2 3.87Å
298	A	96.4	Very high	94.4	Very high	18 Å²	18	41.7 Å²	41.7	15%	0.149	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.6	168.3	0	0	0	0	0	110.6	L259 I305 F340	L259-A298 HydrophobicContact CD1-CB 4.04Å; A298-I305 HydrophobicContact CB-CD1 3.94Å; A298-F340 VanDerWaalsContact O-CD2 3.31Å; A298-F340 WeakPolarHBondContact O-CD2 3.37Å; A298-F340 WeakPolarHBondContact O-CE2 3.32Å
299	S	95.2	Very high	95	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	18%	0.177	C	C	.	.			trans	-66.9	153.1	168.5	51.7	0	0	0	0	111	P253 D301 G302 K303 E304 F340	P253-S299 WeakPolarHBondContact CG-O 3.44Å; S299-D301 VanDerWaalsContact C-N 3.28Å; S299-D301 PolarHBondContact O-N 2.98Å; S299-D301 PolarHBondContact OG-OD1 3.5Å; S299-G302 WeakPolarHBondContact O-CA 3.47Å; S299-G302 PolarHBondContact O-N 2.79Å; S299-K303 PolarHBondContact OG-N 3.08Å; S299-E304 WeakPolarHBondContact CB-O 3.38Å; S299-E304 PolarHBondContact N-O 2.98Å; S299-E304 WeakPolarHBondContact OG-CA 3.4Å; S299-E304 PolarHBondContact OG-N 2.82Å; S299-E304 PolarHBondContact OG-O 2.81Å; S299-F340 VanDerWaalsContact N-CE2 3.27Å
300	T	92.8	Very high	95.8	Very high	65 Å²	65	26.9 Å²	26.9	40%	0.399	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.5	-170.4	-43.7	0	0	0	0	114.1	G302 S343 S345	T300-G302 VanDerWaalsContact C-N 3.32Å; T300-S343 WeakPolarHBondContact CB-O 3.45Å; T300-S343 WeakPolarHBondContact OG1-CA 3.49Å; T300-S343 PolarHBondContact OG1-O 2.93Å; T300-S345 PolarHBondContact N-OG 2.93Å; T300-S345 PolarHBondContact OG1-OG 3.01Å
301	D	91.6	Very high	96.2	Very high	104 Å²	104	20.2 Å²	20.2	56%	0.556	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.9	172.5	65.8	1.3	0	0	0	113.3	S299 K303	S299-D301 VanDerWaalsContact C-N 3.28Å; S299-D301 PolarHBondContact O-N 2.98Å; S299-D301 PolarHBondContact OG-OD1 3.5Å; D301-K303 VanDerWaalsContact C-N 3.29Å; D301-K303 HydrophobicContact CB-CG 4.46Å; D301-K303 PolarHBondContact O-N 3.37Å; D301-K303 WeakPolarHBondContact OD1-CB 3.25Å; D301-K303 PolarHBondContact OD1-N 3.01Å; D301-K303 VanDerWaalsContact OD1-N 3.14Å; D301-K303 VanDerWaalsContact OD2-CD 3.28Å; D301-K303 WeakPolarHBondContact OD2-CD 3.29Å
302	G	92	Very high	96.3	Very high	25 Å²	25	20.3 Å²	20.3	26%	0.258	12%	0.117	S	C	.	.	S	Bend	trans	73.6	11.9	178.2	0	0	0	0	0	114.9	S299 T300 L319	S299-G302 WeakPolarHBondContact O-CA 3.47Å; S299-G302 PolarHBondContact O-N 2.79Å; T300-G302 VanDerWaalsContact C-N 3.32Å; G302-L319 WeakPolarHBondContact O-CD1 3.49Å
303	K	93.6	Very high	96.4	Very high	73 Å²	73	20.6 Å²	20.6	32%	0.317	12%	0.119	S	C	.	.	S	Bend	trans	-88.7	-43.5	-176.2	-63.4	179.7	-174	-88.1	0	113.7	S299 D301 L319 E320	S299-K303 PolarHBondContact OG-N 3.08Å; D301-K303 VanDerWaalsContact C-N 3.29Å; D301-K303 HydrophobicContact CB-CG 4.46Å; D301-K303 PolarHBondContact O-N 3.37Å; D301-K303 WeakPolarHBondContact OD1-CB 3.25Å; D301-K303 PolarHBondContact OD1-N 3.01Å; D301-K303 VanDerWaalsContact OD1-N 3.14Å; D301-K303 VanDerWaalsContact OD2-CD 3.28Å; D301-K303 WeakPolarHBondContact OD2-CD 3.29Å; K303-L319 WeakPolarHBondContact O-CB 3.26Å; K303-L319 PolarHBondContact O-N 2.64Å; K303-E320 HydrophobicContact CG-CG 4.25Å; K303-E320 IonicContact NZ-OE1 3.98Å; K303-E320 PolarHBondContact NZ-OE1 3.08Å; K303-E320 IonicContact NZ-OE2 3.6Å; K303-E320 PolarHBondContact NZ-OE2 2.82Å
304	E	95.3	Very high	96.5	Very high	34 Å²	34	20.7 Å²	20.7	16%	0.159	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137	-176.8	-60	-162.3	134	0	0	112.4	S299 V316 F317 R362	S299-E304 WeakPolarHBondContact CB-O 3.38Å; S299-E304 PolarHBondContact N-O 2.98Å; S299-E304 WeakPolarHBondContact OG-CA 3.4Å; S299-E304 PolarHBondContact OG-N 2.82Å; S299-E304 PolarHBondContact OG-O 2.81Å; E304-V316 HydrophobicContact CB-CG1 4.16Å; E304-V316 HydrophobicContact CG-CG1 4.36Å; E304-F317 CarbonylContact C-O 3.55Å; E304-F317 VanDerWaalsContact CA-O 3.3Å; E304-F317 WeakPolarHBondContact CA-O 3.24Å; E304-R362 IonicContact OE1-CZ 2.78Å; E304-R362 IonicContact OE1-NE 3.69Å; E304-R362 PolarHBondContact OE1-NE 3.33Å; E304-R362 IonicContact OE1-NH2 2.64Å; E304-R362 PolarHBondContact OE1-NH2 2.57Å; E304-R362 IonicContact OE2-CZ 3.48Å; E304-R362 IonicContact OE2-NE 3.16Å; E304-R362 PolarHBondContact OE2-NE 3.26Å; E304-R362 IonicContact OE2-NH2 3.95Å
305	I	97.4	Very high	96.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.8	169.7	-49.9	-48.1	0	0	0	109	L259 I267 L282 L296 A298 V316 F317 L319	L259-I305 HydrophobicContact CD1-CD1 3.42Å; L259-I305 VanDerWaalsContact CD1-CD1 3.42Å; L259-I305 HydrophobicContact CD1-CG1 4.1Å; L259-I305 HydrophobicContact CD1-CG2 4.18Å; L259-I305 HydrophobicContact CD2-CD1 4.13Å; L259-I305 HydrophobicContact CD2-CG1 4.05Å; L259-I305 HydrophobicContact CG-CD1 4.4Å; I267-I305 HydrophobicContact CD1-CG2 4.06Å; L282-I305 HydrophobicContact CD1-CG1 4.5Å; L296-I305 HydrophobicContact CD2-CG2 4.42Å; A298-I305 HydrophobicContact CB-CD1 3.94Å; I305-V316 WeakPolarHBondContact O-CA 3.44Å; I305-F317 PolarHBondContact N-O 2.85Å; I305-F317 PolarHBondContact O-N 2.7Å; I305-L319 HydrophobicContact CD1-CD1 3.73Å; I305-L319 HydrophobicContact CD1-CG 4.48Å; I305-L319 HydrophobicContact CG1-CD1 3.85Å; I305-L319 HydrophobicContact CG1-CD2 4.32Å; I305-L319 HydrophobicContact CG1-CG 4.1Å
306	L	98.1	Very high	96.4	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129	174.8	179.2	65.4	0	0	0	109.6	L296 A297 L314 Y315 V316 V338 F340 L348	L296-L306 WeakPolarHBondContact CA-O 3.25Å; A297-L306 PolarHBondContact N-O 3.31Å; A297-L306 PolarHBondContact O-N 3.47Å; L306-L314 HydrophobicContact CD1-CD2 4.38Å; L306-Y315 WeakPolarHBondContact CA-O 3.5Å; L306-V316 HydrophobicContact CD1-CG2 4.09Å; L306-V338 HydrophobicContact CD2-CB 3.87Å; L306-V338 HydrophobicContact CD2-CG1 4.4Å; L306-V338 HydrophobicContact CD2-CG2 4.38Å; L306-V338 HydrophobicContact CG-CB 3.99Å; L306-V338 HydrophobicContact CG-CG1 4.24Å; L306-V338 HydrophobicContact CG-CG2 4.15Å; L306-F340 HydrophobicContact CB-CE2 4.03Å; L306-F340 HydrophobicContact CB-CZ 4.03Å; L306-L348 HydrophobicContact CD1-CD1 4.24Å; L306-L348 HydrophobicContact CD2-CB 4.19Å; L306-L348 HydrophobicContact CD2-CD1 4.24Å; L306-L348 HydrophobicContact CD2-CD2 4.33Å; L306-L348 HydrophobicContact CD2-CG 4.49Å
307	G	98.2	Very high	96.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.1	174.4	0	0	0	0	0	112.3	S295 L314 Y315	S295-G307 WeakPolarHBondContact O-CA 3.49Å; G307-L314 WeakPolarHBondContact O-CA 3.48Å; G307-Y315 PolarHBondContact N-O 2.94Å; G307-Y315 PolarHBondContact O-N 3.2Å
308	G	98.4	Very high	96.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.6	166.7	0	0	0	0	0	110.7	V293 F294 S295 V335	V293-G308 CarbonylContact C-O 3.58Å; V293-G308 WeakPolarHBondContact CA-O 3.11Å; V293-G308 WeakPolarHBondContact CG1-O 3.45Å; F294-G308 PolarHBondContact N-O 2.87Å; S295-G308 PolarHBondContact O-N 3.04Å; S295-G308 VanDerWaalsContact O-N 3.07Å; G308-V335 CarbonylContact C-O 3.56Å; G308-V335 WeakPolarHBondContact CA-O 3.4Å
309	A	98.2	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	168.3	-169	0	0	0	0	0	114	F291 C292 V293 D311 C313 Y315 V335	F291-A309 HydrophobicContact CD2-CB 4.35Å; F291-A309 HydrophobicContact CE2-CB 3.39Å; F291-A309 HydrophobicContact CZ-CB 3.53Å; C292-A309 VanDerWaalsContact O-CA 3.29Å; C292-A309 WeakPolarHBondContact O-CA 3.32Å; C292-A309 WeakPolarHBondContact O-CB 3.37Å; V293-A309 HydrophobicContact CG2-CB 4.44Å; A309-D311 VanDerWaalsContact C-N 3.26Å; A309-D311 WeakPolarHBondContact CB-OD1 3Å; A309-D311 PolarHBondContact O-N 2.95Å; A309-C313 PolarHBondContact N-O 2.83Å; A309-Y315 HydrophobicContact CB-CD2 4.01Å; A309-Y315 HydrophobicContact CB-CE2 3.92Å; A309-V335 PolarHBondContact O-N 3.37Å
310	N	96.9	Very high	96.3	Very high	24 Å²	24	27.4 Å²	27.4	13%	0.128	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-9.7	-179.1	76.9	-89.8	0	0	0	114.6	E288 F291 C292 F294 G312	E288-N310 PolarHBondContact OE2-ND2 3.14Å; F291-N310 VanDerWaalsContact CA-OD1 3.32Å; F291-N310 WeakPolarHBondContact CA-OD1 3.39Å; C292-N310 PolarHBondContact N-OD1 3.12Å; C292-N310 PolarHBondContact O-N 3.42Å; C292-N310 PolarHBondContact O-OD1 3.06Å; F294-N310 HydrophobicContact CD2-CB 4.44Å; F294-N310 HydrophobicContact CE2-CB 3.54Å; F294-N310 HydrophobicContact CZ-CB 4.06Å; N310-G312 VanDerWaalsContact C-N 3.26Å; N310-G312 PolarHBondContact O-N 2.57Å
311	D	96.8	Very high	96.4	Very high	25 Å²	25	29.4 Å²	29.4	13%	0.134	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	26.7	-179.9	71.5	-27	0	0	0	112.4	E288 A309 C313 Y315 K327	E288-D311 HydrophobicContact CG-CB 3.91Å; A309-D311 VanDerWaalsContact C-N 3.26Å; A309-D311 WeakPolarHBondContact CB-OD1 3Å; A309-D311 PolarHBondContact O-N 2.95Å; D311-C313 PolarHBondContact O-N 2.76Å; D311-C313 PolarHBondContact O-SG 3.49Å; D311-C313 WeakPolarHBondContact OD1-CB 3.39Å; D311-C313 PolarHBondContact OD1-N 3.5Å; D311-Y315 PolarHBondContact OD2-OH 3.04Å; D311-K327 VanDerWaalsContact OD2-CE 3.29Å; D311-K327 WeakPolarHBondContact OD2-CE 3.24Å; D311-K327 IonicContact OD2-NZ 3.73Å; D311-K327 PolarHBondContact OD2-NZ 3.49Å
312	G	97.3	Very high	96.5	Very high	5 Å²	5	29.1 Å²	29.1	5%	0.052	15%	0.15	C	C	.	.	S	Bend	trans	67.8	-1	-176	0	0	0	0	0	115.2	N310 A330 H331 V335	N310-G312 VanDerWaalsContact C-N 3.26Å; N310-G312 PolarHBondContact O-N 2.57Å; G312-A330 PolarHBondContact O-N 2.99Å; G312-A330 VanDerWaalsContact O-N 3.17Å; G312-H331 WeakPolarHBondContact CA-O 3.47Å; G312-H331 PolarHBondContact O-N 3Å; G312-V335 VanDerWaalsContact C-CG2 3.47Å; G312-V335 VanDerWaalsContact O-CG2 3.32Å; G312-V335 WeakPolarHBondContact O-CG2 3.42Å
313	C	97.9	Very high	96.7	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	154.9	-168.1	-65	0	0	0	0	114.8	A309 D311 Y315 K327 I328	A309-C313 PolarHBondContact N-O 2.83Å; D311-C313 PolarHBondContact O-N 2.76Å; D311-C313 PolarHBondContact O-SG 3.49Å; D311-C313 WeakPolarHBondContact OD1-CB 3.39Å; D311-C313 PolarHBondContact OD1-N 3.5Å; C313-Y315 HydrophobicContact CB-CD2 4.22Å; C313-Y315 HydrophobicContact CB-CE2 3.71Å; C313-K327 HydrophobicContact CB-CG 4.13Å; C313-K327 WeakPolarHBondContact SG-CE 3.31Å; C313-I328 CarbonylContact C-O 3.54Å; C313-I328 WeakPolarHBondContact CA-O 3.34Å; C313-I328 WeakPolarHBondContact CB-O 3.3Å
314	L	98.3	Very high	96.9	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.6	162.7	-66.7	168.4	0	0	0	109.8	L306 G307 I328 A330 V335 V338 W360	L306-L314 HydrophobicContact CD1-CD2 4.38Å; G307-L314 WeakPolarHBondContact O-CA 3.48Å; L314-I328 HydrophobicContact CB-CB 4.2Å; L314-I328 PolarHBondContact N-O 2.91Å; L314-I328 PolarHBondContact O-N 3.12Å; L314-A330 HydrophobicContact CB-CB 4.29Å; L314-A330 HydrophobicContact CD1-CB 3.78Å; L314-A330 HydrophobicContact CG-CB 3.67Å; L314-V335 HydrophobicContact CD2-CG1 3.89Å; L314-V338 HydrophobicContact CD2-CG1 3.32Å; L314-W360 HydrophobicContact CD1-CD2 4.33Å; L314-W360 HydrophobicContact CD1-CG 4.46Å; L314-W360 HydrophobicContact CD1-CZ2 4.21Å
315	Y	98.1	Very high	96.9	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	178.2	-76.4	-99.7	0	0	0	110.1	L284 F291 L306 G307 A309 D311 C313 R324 L326 K327	L284-Y315 HydrophobicContact CB-CD1 3.74Å; L284-Y315 HydrophobicContact CB-CE1 3.9Å; L284-Y315 HydrophobicContact CD1-CD1 4.06Å; L284-Y315 HydrophobicContact CD1-CG 4.01Å; L284-Y315 HydrophobicContact CD2-CD1 4.1Å; L284-Y315 HydrophobicContact CD2-CG 4.47Å; L284-Y315 HydrophobicContact CG-CD1 4.18Å; L284-Y315 VanDerWaalsContact O-CE1 3.31Å; L284-Y315 WeakPolarHBondContact O-CE1 3.35Å; F291-Y315 HydrophobicContact CE2-CD2 4.36Å; F291-Y315 AromaticContact CE2-CE2 3.53Å; F291-Y315 HydrophobicContact CE2-CE2 3.53Å; F291-Y315 AromaticContact CE2-CZ 3.67Å; F291-Y315 HydrophobicContact CZ-CD2 4.07Å; F291-Y315 HydrophobicContact CZ-CE1 4.39Å; F291-Y315 AromaticContact CZ-CE2 3.65Å; F291-Y315 HydrophobicContact CZ-CE2 3.65Å; F291-Y315 AromaticContact CZ-CZ 3.82Å; L306-Y315 WeakPolarHBondContact CA-O 3.5Å; G307-Y315 PolarHBondContact N-O 2.94Å; G307-Y315 PolarHBondContact O-N 3.2Å; A309-Y315 HydrophobicContact CB-CD2 4.01Å; A309-Y315 HydrophobicContact CB-CE2 3.92Å; D311-Y315 PolarHBondContact OD2-OH 3.04Å; C313-Y315 HydrophobicContact CB-CD2 4.22Å; C313-Y315 HydrophobicContact CB-CE2 3.71Å; Y315-R324 HydrophobicContact CD1-CG 4.27Å; Y315-L326 WeakPolarHBondContact CA-O 3.4Å; Y315-K327 HydrophobicContact CE1-CB 4.22Å; Y315-K327 HydrophobicContact CE1-CD 4.05Å; Y315-K327 HydrophobicContact CE1-CG 4.1Å; Y315-K327 HydrophobicContact CE2-CG 4.4Å; Y315-K327 WeakPolarHBondContact OH-CD 3.41Å; Y315-K327 WeakPolarHBondContact OH-CE 3.49Å; Y315-K327 PolarHBondContact OH-NZ 3.4Å
316	V	97.4	Very high	96.9	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.5	168.5	-171.9	0	0	0	0	108.6	E304 I305 L306 R324 T325 L326	E304-V316 HydrophobicContact CB-CG1 4.16Å; E304-V316 HydrophobicContact CG-CG1 4.36Å; I305-V316 WeakPolarHBondContact O-CA 3.44Å; L306-V316 HydrophobicContact CD1-CG2 4.09Å; V316-R324 CarbonylContact O-C 3.47Å; V316-R324 WeakPolarHBondContact O-CA 3.4Å; V316-R324 WeakPolarHBondContact O-CG 3.42Å; V316-T325 PolarHBondContact O-N 3.28Å; V316-T325 PolarHBondContact O-OG1 3.14Å; V316-L326 HydrophobicContact CB-CB 4.05Å; V316-L326 HydrophobicContact CB-CD1 4.42Å; V316-L326 HydrophobicContact CG2-CB 4.15Å; V316-L326 HydrophobicContact CG2-CD1 4.11Å; V316-L326 PolarHBondContact N-O 3.43Å; V316-L326 PolarHBondContact O-N 3.43Å
317	F	97.8	Very high	96.8	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.3	176	-168.6	-76.6	0	0	0	109.7	L282 D283 L284 E304 I305 L319 K323 R324	L282-F317 HydrophobicContact CB-CD1 4.17Å; L282-F317 HydrophobicContact CB-CD2 3.99Å; L282-F317 HydrophobicContact CB-CE1 3.95Å; L282-F317 HydrophobicContact CB-CE2 3.75Å; L282-F317 HydrophobicContact CB-CG 4.2Å; L282-F317 HydrophobicContact CB-CZ 3.72Å; L282-F317 HydrophobicContact CD1-CD1 4.37Å; L282-F317 HydrophobicContact CD2-CD1 4.33Å; L282-F317 HydrophobicContact CD2-CE1 3.66Å; L282-F317 HydrophobicContact CD2-CZ 3.9Å; L282-F317 HydrophobicContact CG-CE1 4.23Å; L282-F317 HydrophobicContact CG-CZ 4.38Å; D283-F317 WeakPolarHBondContact O-CE2 3.25Å; L284-F317 HydrophobicContact CD2-CB 4.27Å; L284-F317 HydrophobicContact CD2-CD2 4.04Å; E304-F317 CarbonylContact C-O 3.55Å; E304-F317 VanDerWaalsContact CA-O 3.3Å; E304-F317 WeakPolarHBondContact CA-O 3.24Å; I305-F317 PolarHBondContact N-O 2.85Å; I305-F317 PolarHBondContact O-N 2.7Å; F317-L319 HydrophobicContact CD1-CD2 4.05Å; F317-L319 HydrophobicContact CE1-CD2 4.06Å; F317-K323 VanDerWaalsContact CE2-CA 3.49Å; F317-R324 HydrophobicContact CD2-CB 4.48Å; F317-R324 VanDerWaalsContact CD2-N 3.26Å
318	D	96.4	Very high	96.8	Very high	15 Å²	15	34.8 Å²	34.8	8%	0.08	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.8	177.6	179.5	-35.2	0	0	0	109	E320 Q321 N322 K323 T325	D318-E320 WeakPolarHBondContact OD1-CA 3.34Å; D318-E320 WeakPolarHBondContact OD1-CB 3.31Å; D318-E320 PolarHBondContact OD1-N 3.22Å; D318-Q321 HydrophobicContact CB-CB 4.16Å; D318-Q321 PolarHBondContact OD1-N 3.47Å; D318-Q321 WeakPolarHBondContact OD2-CG 3.22Å; D318-Q321 PolarHBondContact OD2-NE2 3.24Å; D318-N322 VanDerWaalsContact O-CA 3.24Å; D318-N322 WeakPolarHBondContact O-CA 3.31Å; D318-N322 PolarHBondContact O-N 3.27Å; D318-K323 PolarHBondContact N-O 3.19Å; D318-K323 PolarHBondContact O-N 3.11Å; D318-K323 VanDerWaalsContact O-N 3.09Å; D318-T325 HydrophobicContact CB-CG2 3.43Å; D318-T325 VanDerWaalsContact CB-CG2 3.43Å
319	L	94.6	Very high	96.8	Very high	46 Å²	46	40 Å²	40	24%	0.241	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-22.9	-177.6	-65.2	171.3	0	0	0	113.2	L269 L282 G302 K303 I305 F317	L269-L319 HydrophobicContact CD1-CD1 4.39Å; L269-L319 HydrophobicContact CD1-CD2 4.23Å; L282-L319 HydrophobicContact CD1-CD2 3.72Å; L282-L319 HydrophobicContact CD2-CD2 3.69Å; L282-L319 HydrophobicContact CG-CD2 4.37Å; G302-L319 WeakPolarHBondContact O-CD1 3.49Å; K303-L319 WeakPolarHBondContact O-CB 3.26Å; K303-L319 PolarHBondContact O-N 2.64Å; I305-L319 HydrophobicContact CD1-CD1 3.73Å; I305-L319 HydrophobicContact CD1-CG 4.48Å; I305-L319 HydrophobicContact CG1-CD1 3.85Å; I305-L319 HydrophobicContact CG1-CD2 4.32Å; I305-L319 HydrophobicContact CG1-CG 4.1Å; F317-L319 HydrophobicContact CD1-CD2 4.05Å; F317-L319 HydrophobicContact CE1-CD2 4.06Å
320	E	94.3	Very high	96.7	Very high	139 Å²	139	40.3 Å²	40.3	65%	0.65	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-34.9	174.9	-59.6	-167.1	140.4	0	0	111.2	K303 D318	K303-E320 HydrophobicContact CG-CG 4.25Å; K303-E320 IonicContact NZ-OE1 3.98Å; K303-E320 PolarHBondContact NZ-OE1 3.08Å; K303-E320 IonicContact NZ-OE2 3.6Å; K303-E320 PolarHBondContact NZ-OE2 2.82Å; D318-E320 WeakPolarHBondContact OD1-CA 3.34Å; D318-E320 WeakPolarHBondContact OD1-CB 3.31Å; D318-E320 PolarHBondContact OD1-N 3.22Å
321	Q	94.9	Very high	96.8	Very high	108 Å²	108	39.5 Å²	39.5	51%	0.505	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.4	173.2	-62	-174.5	71.2	0	0	113.5	D318 K323	D318-Q321 HydrophobicContact CB-CB 4.16Å; D318-Q321 PolarHBondContact OD1-N 3.47Å; D318-Q321 WeakPolarHBondContact OD2-CG 3.22Å; D318-Q321 PolarHBondContact OD2-NE2 3.24Å; Q321-K323 HydrophobicContact CB-CD 4.16Å; Q321-K323 HydrophobicContact CB-CG 4.06Å; Q321-K323 PolarHBondContact O-N 3.37Å
322	N	95.4	Very high	96.8	Very high	98 Å²	98	44.2 Å²	44.2	52%	0.524	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.3	53.3	-174.4	-168	47	0	0	0	114.2	D318	D318-N322 VanDerWaalsContact O-CA 3.24Å; D318-N322 WeakPolarHBondContact O-CA 3.31Å; D318-N322 PolarHBondContact O-N 3.27Å
323	K	96.1	Very high	96.8	Very high	98 Å²	98	47.3 Å²	47.3	43%	0.426	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	159.2	179.8	70	-168.6	-173.2	-158.2	0	113	F317 D318 Q321 T325	F317-K323 VanDerWaalsContact CE2-CA 3.49Å; D318-K323 PolarHBondContact N-O 3.19Å; D318-K323 PolarHBondContact O-N 3.11Å; D318-K323 VanDerWaalsContact O-N 3.09Å; Q321-K323 HydrophobicContact CB-CD 4.16Å; Q321-K323 HydrophobicContact CB-CG 4.06Å; Q321-K323 PolarHBondContact O-N 3.37Å; K323-T325 HydrophobicContact CG-CG2 4.31Å; K323-T325 PolarHBondContact O-N 3.11Å
324	R	96.8	Very high	96.8	Very high	68 Å²	68	49.6 Å²	49.6	26%	0.257	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	125.4	159.2	-171	-173.9	80.7	-148.9	12.9	109.7	L284 N285 Y315 V316 F317 L326	L284-R324 WeakPolarHBondContact O-CD 3.3Å; L284-R324 PolarHBondContact O-NH1 2.81Å; N285-R324 PolarHBondContact O-NH1 3.48Å; Y315-R324 HydrophobicContact CD1-CG 4.27Å; V316-R324 CarbonylContact O-C 3.47Å; V316-R324 WeakPolarHBondContact O-CA 3.4Å; V316-R324 WeakPolarHBondContact O-CG 3.42Å; F317-R324 HydrophobicContact CD2-CB 4.48Å; F317-R324 VanDerWaalsContact CD2-N 3.26Å; R324-L326 WeakPolarHBondContact CG-O 3.33Å
325	T	95.9	Very high	96.8	Very high	35 Å²	35	49.4 Å²	49.4	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-23.5	173.2	51.2	0	0	0	0	113	V316 D318 K323	V316-T325 PolarHBondContact O-N 3.28Å; V316-T325 PolarHBondContact O-OG1 3.14Å; D318-T325 HydrophobicContact CB-CG2 3.43Å; D318-T325 VanDerWaalsContact CB-CG2 3.43Å; K323-T325 HydrophobicContact CG-CG2 4.31Å; K323-T325 PolarHBondContact O-N 3.11Å
326	L	96.5	Very high	96.8	Very high	19 Å²	19	49.6 Å²	49.6	10%	0.099	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	137	173.8	-61.9	170.5	0	0	0	112	Y315 V316 R324 I328 L365 E367	Y315-L326 WeakPolarHBondContact CA-O 3.4Å; V316-L326 HydrophobicContact CB-CB 4.05Å; V316-L326 HydrophobicContact CB-CD1 4.42Å; V316-L326 HydrophobicContact CG2-CB 4.15Å; V316-L326 HydrophobicContact CG2-CD1 4.11Å; V316-L326 PolarHBondContact N-O 3.43Å; V316-L326 PolarHBondContact O-N 3.43Å; R324-L326 WeakPolarHBondContact CG-O 3.33Å; L326-I328 HydrophobicContact CB-CD1 4.02Å; L326-I328 HydrophobicContact CB-CG1 4.09Å; L326-I328 HydrophobicContact CD1-CD1 4.28Å; L326-I328 HydrophobicContact CD2-CD1 4.2Å; L326-I328 HydrophobicContact CG-CD1 4.41Å; L326-L365 HydrophobicContact CD1-CB 4.47Å; L326-L365 HydrophobicContact CD1-CD2 3.75Å; L326-L365 HydrophobicContact CD1-CG 3.93Å; L326-E367 WeakPolarHBondContact CA-OE1 3.24Å; L326-E367 HydrophobicContact CD2-CG 3.8Å
327	K	97.1	Very high	96.8	Very high	33 Å²	33	49.4 Å²	49.4	14%	0.143	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.5	151.7	176.1	175	178.3	159.2	0	108.2	D287 D311 C313 Y315 E367	D287-K327 IonicContact OD2-NZ 2.94Å; D287-K327 PolarHBondContact OD2-NZ 2.98Å; D311-K327 VanDerWaalsContact OD2-CE 3.29Å; D311-K327 WeakPolarHBondContact OD2-CE 3.24Å; D311-K327 IonicContact OD2-NZ 3.73Å; D311-K327 PolarHBondContact OD2-NZ 3.49Å; C313-K327 HydrophobicContact CB-CG 4.13Å; C313-K327 WeakPolarHBondContact SG-CE 3.31Å; Y315-K327 HydrophobicContact CE1-CB 4.22Å; Y315-K327 HydrophobicContact CE1-CD 4.05Å; Y315-K327 HydrophobicContact CE1-CG 4.1Å; Y315-K327 HydrophobicContact CE2-CG 4.4Å; Y315-K327 WeakPolarHBondContact OH-CD 3.41Å; Y315-K327 WeakPolarHBondContact OH-CE 3.49Å; Y315-K327 PolarHBondContact OH-NZ 3.4Å; K327-E367 PolarHBondContact N-OE1 3.26Å; K327-E367 WeakPolarHBondContact O-CG 3.38Å
328	I	97.9	Very high	96.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.2	-176.4	-54.8	-62.5	0	0	0	108.2	C313 L314 L326 A330 W360 L365 R366 E367 P370	C313-I328 CarbonylContact C-O 3.54Å; C313-I328 WeakPolarHBondContact CA-O 3.34Å; C313-I328 WeakPolarHBondContact CB-O 3.3Å; L314-I328 HydrophobicContact CB-CB 4.2Å; L314-I328 PolarHBondContact N-O 2.91Å; L314-I328 PolarHBondContact O-N 3.12Å; L326-I328 HydrophobicContact CB-CD1 4.02Å; L326-I328 HydrophobicContact CB-CG1 4.09Å; L326-I328 HydrophobicContact CD1-CD1 4.28Å; L326-I328 HydrophobicContact CD2-CD1 4.2Å; L326-I328 HydrophobicContact CG-CD1 4.41Å; I328-A330 HydrophobicContact CG2-CB 4.33Å; I328-A330 WeakPolarHBondContact O-CB 3.3Å; I328-A330 PolarHBondContact O-N 2.75Å; I328-W360 HydrophobicContact CG2-CH2 4.2Å; I328-W360 HydrophobicContact CG2-CZ3 3.99Å; I328-L365 HydrophobicContact CD1-CD1 4Å; I328-L365 HydrophobicContact CD1-CG 3.91Å; I328-L365 HydrophobicContact CG1-CD1 3.91Å; I328-L365 HydrophobicContact CG1-CD2 4.27Å; I328-L365 HydrophobicContact CG1-CG 4Å; I328-L365 HydrophobicContact CG2-CD1 3.99Å; I328-R366 WeakPolarHBondContact CD1-O 3.34Å; I328-E367 HydrophobicContact CD1-CG 4.45Å; I328-P370 HydrophobicContact CG2-CB 3.72Å
329	D	97.3	Very high	97	Very high	111 Å²	111	49.5 Å²	49.5	59%	0.594	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	103.6	165.5	172.6	11	0	0	0	108.7	P370	D329-P370 HydrophobicContact CB-CG 4.29Å; D329-P370 WeakPolarHBondContact O-CB 3.33Å; D329-P370 WeakPolarHBondContact O-CG 3.25Å
330	A	97.4	Very high	97.1	Very high	6 Å²	6	48.5 Å²	48.5	5%	0.05	24%	0.239	C	C	.	.			trans	-115.3	-34.4	-160.5	0	0	0	0	0	113.2	G312 L314 I328 K358 W360	G312-A330 PolarHBondContact O-N 2.99Å; G312-A330 VanDerWaalsContact O-N 3.17Å; L314-A330 HydrophobicContact CB-CB 4.29Å; L314-A330 HydrophobicContact CD1-CB 3.78Å; L314-A330 HydrophobicContact CG-CB 3.67Å; I328-A330 HydrophobicContact CG2-CB 4.33Å; I328-A330 WeakPolarHBondContact O-CB 3.3Å; I328-A330 PolarHBondContact O-N 2.75Å; A330-K358 VanDerWaalsContact O-CD 3.3Å; A330-K358 WeakPolarHBondContact O-CD 3.37Å; A330-K358 PolarHBondContact O-NZ 3.39Å; A330-W360 HydrophobicContact CB-CH2 4.01Å; A330-W360 HydrophobicContact CB-CZ2 3.69Å
331	H	98.1	Very high	97.2	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.028	21%	0.208	C	C	.	.			trans	-145.1	159.6	-177.4	-67.9	-103.9	0	0	0	112.1	G312 D333 V335 S350 S352 D354 L356 K358	G312-H331 WeakPolarHBondContact CA-O 3.47Å; G312-H331 PolarHBondContact O-N 3Å; H331-D333 VanDerWaalsContact C-N 3.3Å; H331-D333 WeakPolarHBondContact CB-O 3.41Å; H331-V335 HydrophobicContact CB-CG2 4.14Å; H331-S350 PolarHBondContact NE2-OG 2.95Å; H331-S352 VanDerWaalsContact CB-OG 3.28Å; H331-S352 WeakPolarHBondContact CB-OG 3.44Å; H331-S352 WeakPolarHBondContact ND1-CB 3.39Å; H331-D354 IonicContact CE1-OD1 2.72Å; H331-D354 IonicContact CG-OD1 3.34Å; H331-D354 IonicContact CG-OD2 2.65Å; H331-D354 IonicContact ND1-OD1 3.84Å; H331-D354 PolarHBondContact ND1-OD1 2.83Å; H331-D354 IonicContact ND1-OD2 3.87Å; H331-D354 PolarHBondContact ND1-OD2 3.23Å; H331-D354 VanDerWaalsContact ND1-OD2 3.1Å; H331-L356 PolarHBondContact CE1-O 2.95Å; H331-K358 VanDerWaalsContact CE1-CD 3.45Å; H331-K358 WeakPolarHBondContact CE1-CD 3.47Å; H331-K358 VanDerWaalsContact ND1-CE 3.34Å; H331-K358 WeakPolarHBondContact ND1-CE 3.44Å; H331-K358 PolarHBondContact ND1-NZ 3.1Å
332	E	96.4	Very high	97.3	Very high	124 Å²	124	38.7 Å²	38.7	58%	0.579	19%	0.194	S	C	*	.	S	Bend	trans	-80.6	-12.2	-178.8	-74.4	166.3	-162.1	0	0	113	D354 R422	E332-D354 HydrophobicContact CB-CB 4.4Å; E332-R422 IonicContact OE1-CZ 3.25Å; E332-R422 IonicContact OE1-NH1 2.67Å; E332-R422 PolarHBondContact OE1-NH1 2.98Å; E332-R422 IonicContact OE1-NH2 3.91Å; E332-R422 PolarHBondContact OE1-NH2 2.82Å; E332-R422 IonicContact OE2-CZ 2.75Å; E332-R422 IonicContact OE2-NE 2.76Å; E332-R422 IonicContact OE2-NH1 2.73Å; E332-R422 PolarHBondContact OE2-NH1 3.3Å; E332-R422 IonicContact OE2-NH2 3.06Å; E332-R422 PolarHBondContact OE2-NH2 2.85Å; E332-R422 VanDerWaalsContact OE2-NH2 3.17Å
333	D	97.3	Very high	97.2	Very high	71 Å²	71	38.5 Å²	38.5	38%	0.38	20%	0.201	S	C	.	.	S	Bend	trans	-141.5	169.8	177.7	-52.9	-84.2	0	0	0	110.5	H331 V335 S352 D353 D354	H331-D333 VanDerWaalsContact C-N 3.3Å; H331-D333 WeakPolarHBondContact CB-O 3.41Å; D333-V335 PolarHBondContact O-N 2.82Å; D333-S352 PolarHBondContact O-OG 2.93Å; D333-D353 HydrophobicContact CB-CB 3.67Å; D333-D354 WeakPolarHBondContact OD2-CA 3.29Å; D333-D354 WeakPolarHBondContact OD2-CB 3.37Å; D333-D354 PolarHBondContact OD2-N 3.32Å
334	D	97.9	Very high	97	Very high	53 Å²	53	36.4 Å²	36.4	28%	0.283	20%	0.199	S	C	.	.			trans	-33.4	127.3	179.1	-61.9	41	0	0	0	115.2	F294 N336 S352 D353	F294-D334 HydrophobicContact CD2-CB 4.43Å; F294-D334 HydrophobicContact CE2-CB 3.93Å; F294-D334 VanDerWaalsContact CE2-OD2 3.23Å; F294-D334 WeakPolarHBondContact CE2-OD2 3.44Å; D334-N336 PolarHBondContact O-N 2.92Å; D334-S352 CarbonylContact O-C 3.58Å; D334-S352 WeakPolarHBondContact O-CA 3.47Å; D334-S352 VanDerWaalsContact O-CB 3.3Å; D334-S352 WeakPolarHBondContact O-CB 3.09Å; D334-S352 PolarHBondContact O-OG 2.99Å; D334-S352 VanDerWaalsContact O-OG 3.13Å; D334-D353 PolarHBondContact O-N 3.37Å
335	V	98.8	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.19	C	C	.	.			trans	-90.3	80.6	176.5	-168.7	0	0	0	0	110.5	G308 A309 G312 L314 H331 D333 A337 V338 G351	G308-V335 CarbonylContact C-O 3.56Å; G308-V335 WeakPolarHBondContact CA-O 3.4Å; A309-V335 PolarHBondContact O-N 3.37Å; G312-V335 VanDerWaalsContact C-CG2 3.47Å; G312-V335 VanDerWaalsContact O-CG2 3.32Å; G312-V335 WeakPolarHBondContact O-CG2 3.42Å; L314-V335 HydrophobicContact CD2-CG1 3.89Å; H331-V335 HydrophobicContact CB-CG2 4.14Å; D333-V335 PolarHBondContact O-N 2.82Å; V335-A337 PolarHBondContact O-N 2.88Å; V335-A337 VanDerWaalsContact O-N 3.16Å; V335-V338 HydrophobicContact CG1-CG1 4.32Å; V335-G351 CarbonylContact C-O 3.59Å
336	N	98.6	Very high	96.8	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.027	20%	0.196	C	C	.	.			trans	-60.7	-19.1	-179.3	-69.9	-43.2	0	0	0	115.7	S295 D334 G351 D353 V383 L468	S295-N336 WeakPolarHBondContact CB-O 3.4Å; D334-N336 PolarHBondContact O-N 2.92Å; N336-G351 PolarHBondContact N-O 3.04Å; N336-G351 VanDerWaalsContact N-O 3.11Å; N336-D353 VanDerWaalsContact ND2-CG 3.29Å; N336-D353 PolarHBondContact ND2-OD1 3.11Å; N336-V383 VanDerWaalsContact CB-O 3.25Å; N336-V383 WeakPolarHBondContact CB-O 3.31Å; N336-V383 PolarHBondContact ND2-O 2.87Å; N336-L468 HydrophobicContact CB-CD1 3.96Å; N336-L468 HydrophobicContact CB-CD2 4.15Å; N336-L468 VanDerWaalsContact OD1-CD1 3.27Å; N336-L468 WeakPolarHBondContact OD1-CD1 3.45Å; N336-L468 WeakPolarHBondContact OD1-CD2 3.43Å
337	A	98.3	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	134.8	-168.6	0	0	0	0	0	113.8	V335 S350 G351 I386	V335-A337 PolarHBondContact O-N 2.88Å; V335-A337 VanDerWaalsContact O-N 3.16Å; A337-S350 CarbonylContact O-C 3.48Å; A337-S350 WeakPolarHBondContact O-CA 3.36Å; A337-G351 PolarHBondContact N-O 3.39Å; A337-G351 VanDerWaalsContact N-O 3.11Å; A337-G351 PolarHBondContact O-N 3.15Å; A337-I386 HydrophobicContact CB-CB 4Å; A337-I386 HydrophobicContact CB-CG1 4Å
338	V	98.7	Very high	96.8	Very high	6 Å²	6	35 Å²	35	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.8	169.1	-63.6	0	0	0	0	112	S295 A297 L306 L314 V335 F349	S295-V338 WeakPolarHBondContact O-CG2 3.48Å; S295-V338 PolarHBondContact OG-N 2.96Å; A297-V338 HydrophobicContact CB-CG2 4.35Å; L306-V338 HydrophobicContact CD2-CB 3.87Å; L306-V338 HydrophobicContact CD2-CG1 4.4Å; L306-V338 HydrophobicContact CD2-CG2 4.38Å; L306-V338 HydrophobicContact CG-CB 3.99Å; L306-V338 HydrophobicContact CG-CG1 4.24Å; L306-V338 HydrophobicContact CG-CG2 4.15Å; L314-V338 HydrophobicContact CD2-CG1 3.32Å; V335-V338 HydrophobicContact CG1-CG1 4.32Å; V338-F349 WeakPolarHBondContact CA-O 3.49Å
339	A	98	Very high	96.8	Very high	14 Å²	14	35 Å²	35	12%	0.116	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	147.2	171.7	0	0	0	0	0	111.9	F349 I386	A339-F349 PolarHBondContact N-O 2.96Å; A339-F349 PolarHBondContact O-N 3.12Å; A339-I386 HydrophobicContact CB-CG2 4.33Å
340	F	97.6	Very high	96.9	Very high	25 Å²	25	29.8 Å²	29.8	11%	0.11	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	143.2	159.8	-68.9	-83.8	0	0	0	109.9	A297 A298 S299 L306 L348 S388	A297-F340 HydrophobicContact CB-CD2 3.76Å; A297-F340 HydrophobicContact CB-CE2 3.87Å; A298-F340 VanDerWaalsContact O-CD2 3.31Å; A298-F340 WeakPolarHBondContact O-CD2 3.37Å; A298-F340 WeakPolarHBondContact O-CE2 3.32Å; S299-F340 VanDerWaalsContact N-CE2 3.27Å; L306-F340 HydrophobicContact CB-CE2 4.03Å; L306-F340 HydrophobicContact CB-CZ 4.03Å; F340-L348 HydrophobicContact CD1-CD2 3.31Å; F340-L348 HydrophobicContact CE1-CD2 3.28Å; F340-L348 HydrophobicContact CG-CD2 4.35Å; F340-L348 HydrophobicContact CZ-CD2 4.27Å; F340-S388 VanDerWaalsContact O-CB 3.26Å; F340-S388 WeakPolarHBondContact O-CB 3.35Å
341	A	96.9	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-77.1	-31	-175.4	0	0	0	0	0	113.3	L347 F349 S388 G390 A392	A341-L347 HydrophobicContact CB-CB 3.54Å; A341-L347 VanDerWaalsContact CB-O 3.27Å; A341-L347 WeakPolarHBondContact CB-O 3.28Å; A341-L347 PolarHBondContact N-O 3.19Å; A341-F349 HydrophobicContact CB-CD1 4.42Å; A341-F349 HydrophobicContact CB-CD2 4.34Å; A341-F349 HydrophobicContact CB-CE1 3.75Å; A341-F349 HydrophobicContact CB-CE2 3.66Å; A341-F349 HydrophobicContact CB-CZ 3.33Å; A341-S388 PolarHBondContact O-OG 3.41Å; A341-G390 CarbonylContact O-C 3.58Å; A341-G390 VanDerWaalsContact O-CA 3.32Å; A341-G390 WeakPolarHBondContact O-CA 3.4Å; A341-A392 PolarHBondContact O-N 2.81Å
342	D	95.3	Very high	97	Very high	40 Å²	40	29.2 Å²	29.2	21%	0.214	16%	0.163	C	C	.	.	S	Bend	trans	-159.8	-177.7	178.3	70.7	-10.2	0	0	0	110.3	S344 S345 G390 A392	D342-S344 PolarHBondContact O-N 2.82Å; D342-S344 VanDerWaalsContact O-N 3.16Å; D342-S344 VanDerWaalsContact OD1-CB 3.23Å; D342-S344 WeakPolarHBondContact OD1-CB 3.02Å; D342-S344 PolarHBondContact OD1-N 3.49Å; D342-S344 PolarHBondContact OD1-OG 2.86Å; D342-S344 PolarHBondContact OD2-OG 2.93Å; D342-S345 PolarHBondContact O-N 3Å; D342-G390 WeakPolarHBondContact CB-O 3.39Å; D342-A392 HydrophobicContact CB-CB 4.06Å
343	S	93.3	Very high	97	Very high	95 Å²	95	24.6 Å²	24.6	66%	0.664	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-2.7	177.1	52	0	0	0	0	115.2	T300 S345	T300-S343 WeakPolarHBondContact CB-O 3.45Å; T300-S343 WeakPolarHBondContact OG1-CA 3.49Å; T300-S343 PolarHBondContact OG1-O 2.93Å; S343-S345 VanDerWaalsContact C-N 3.29Å
344	S	93.9	Very high	97	Very high	54 Å²	54	21.3 Å²	21.3	38%	0.378	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.8	173.4	81.5	0	0	0	0	112.6	D342 Q346	D342-S344 PolarHBondContact O-N 2.82Å; D342-S344 VanDerWaalsContact O-N 3.16Å; D342-S344 VanDerWaalsContact OD1-CB 3.23Å; D342-S344 WeakPolarHBondContact OD1-CB 3.02Å; D342-S344 PolarHBondContact OD1-N 3.49Å; D342-S344 PolarHBondContact OD1-OG 2.86Å; D342-S344 PolarHBondContact OD2-OG 2.93Å; S344-Q346 WeakPolarHBondContact O-CG 3.48Å; S344-Q346 PolarHBondContact O-N 3.42Å; S344-Q346 PolarHBondContact O-NE2 2.99Å; S344-Q346 WeakPolarHBondContact OG-CB 3.46Å; S344-Q346 PolarHBondContact OG-N 2.78Å; S344-Q346 VanDerWaalsContact OG-N 3.13Å
345	S	92.9	Very high	97	Very high	12 Å²	12	18.8 Å²	18.8	8%	0.084	11%	0.112	C	C	.	.			trans	54.9	12.4	-170.5	-58.5	0	0	0	0	115	T300 D342 S343	T300-S345 PolarHBondContact N-OG 2.93Å; T300-S345 PolarHBondContact OG1-OG 3.01Å; D342-S345 PolarHBondContact O-N 3Å; S343-S345 VanDerWaalsContact C-N 3.29Å
346	Q	94.3	Very high	97	Very high	71 Å²	71	18.8 Å²	18.8	33%	0.332	11%	0.112	S	C	.	.			trans	-86	-22	-175.5	-60.1	-51.8	-68.6	0	0	114.4	S344 R362 R363	S344-Q346 WeakPolarHBondContact O-CG 3.48Å; S344-Q346 PolarHBondContact O-N 3.42Å; S344-Q346 PolarHBondContact O-NE2 2.99Å; S344-Q346 WeakPolarHBondContact OG-CB 3.46Å; S344-Q346 PolarHBondContact OG-N 2.78Å; S344-Q346 VanDerWaalsContact OG-N 3.13Å; Q346-R362 WeakPolarHBondContact O-CB 3.45Å; Q346-R362 PolarHBondContact O-N 2.66Å; Q346-R363 VanDerWaalsContact OE1-CG 3.25Å
347	L	96.6	Very high	97	Very high	40 Å²	40	18.7 Å²	18.7	21%	0.209	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.8	175.3	-72.6	177.5	0	0	0	109.6	A341 W360 D361 A392	A341-L347 HydrophobicContact CB-CB 3.54Å; A341-L347 VanDerWaalsContact CB-O 3.27Å; A341-L347 WeakPolarHBondContact CB-O 3.28Å; A341-L347 PolarHBondContact N-O 3.19Å; L347-W360 WeakPolarHBondContact CA-O 3.36Å; L347-W360 WeakPolarHBondContact CD2-O 3.18Å; L347-D361 HydrophobicContact CD2-CB 4.06Å; L347-A392 HydrophobicContact CD1-CB 4.38Å
348	L	97.1	Very high	97	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.6	-179.4	-36.9	177.7	0	0	0	109.6	L306 F340 V359 W360 L365	L306-L348 HydrophobicContact CD1-CD1 4.24Å; L306-L348 HydrophobicContact CD2-CB 4.19Å; L306-L348 HydrophobicContact CD2-CD1 4.24Å; L306-L348 HydrophobicContact CD2-CD2 4.33Å; L306-L348 HydrophobicContact CD2-CG 4.49Å; F340-L348 HydrophobicContact CD1-CD2 3.31Å; F340-L348 HydrophobicContact CE1-CD2 3.28Å; F340-L348 HydrophobicContact CG-CD2 4.35Å; F340-L348 HydrophobicContact CZ-CD2 4.27Å; L348-V359 WeakPolarHBondContact O-CA 3.36Å; L348-W360 HydrophobicContact CB-CB 4.21Å; L348-W360 PolarHBondContact N-O 3.14Å; L348-W360 PolarHBondContact O-N 2.89Å; L348-L365 HydrophobicContact CD1-CD2 3.89Å
349	F	98.6	Very high	97	Very high	1 Å²	1	19 Å²	19	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.2	172.1	-55.3	-32.9	0	0	0	110	V338 A339 A341 K358 V359 I386 L395 V409	V338-F349 WeakPolarHBondContact CA-O 3.49Å; A339-F349 PolarHBondContact N-O 2.96Å; A339-F349 PolarHBondContact O-N 3.12Å; A341-F349 HydrophobicContact CB-CD1 4.42Å; A341-F349 HydrophobicContact CB-CD2 4.34Å; A341-F349 HydrophobicContact CB-CE1 3.75Å; A341-F349 HydrophobicContact CB-CE2 3.66Å; A341-F349 HydrophobicContact CB-CZ 3.33Å; F349-K358 WeakPolarHBondContact CA-O 3.19Å; F349-V359 HydrophobicContact CD1-CB 4.34Å; F349-V359 HydrophobicContact CD1-CG1 4.07Å; F349-V359 HydrophobicContact CD1-CG2 3.82Å; F349-V359 HydrophobicContact CE1-CB 4.5Å; F349-V359 HydrophobicContact CE1-CG1 3.88Å; F349-V359 HydrophobicContact CE1-CG2 3.97Å; F349-I386 HydrophobicContact CB-CG2 4.13Å; F349-L395 HydrophobicContact CD1-CD2 4.19Å; F349-L395 HydrophobicContact CD2-CB 3.83Å; F349-L395 HydrophobicContact CD2-CD1 4.43Å; F349-L395 HydrophobicContact CD2-CD2 4Å; F349-L395 HydrophobicContact CD2-CG 4.3Å; F349-L395 HydrophobicContact CE1-CD2 4.05Å; F349-L395 HydrophobicContact CE2-CB 3.75Å; F349-L395 HydrophobicContact CE2-CD2 3.84Å; F349-L395 HydrophobicContact CE2-CG 4.35Å; F349-L395 HydrophobicContact CG-CD2 4.17Å; F349-L395 HydrophobicContact CZ-CD2 3.86Å; F349-V409 HydrophobicContact CE1-CG1 3.78Å; F349-V409 HydrophobicContact CZ-CG1 3.89Å
350	S	98.8	Very high	97	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.2	172	64	0	0	0	0	111.4	H331 A337 C357 K358 W360 I386	H331-S350 PolarHBondContact NE2-OG 2.95Å; A337-S350 CarbonylContact O-C 3.48Å; A337-S350 WeakPolarHBondContact O-CA 3.36Å; S350-C357 CarbonylContact O-C 3.58Å; S350-C357 VanDerWaalsContact O-CA 3.24Å; S350-C357 WeakPolarHBondContact O-CA 3.42Å; S350-K358 PolarHBondContact N-O 3.21Å; S350-K358 PolarHBondContact O-N 2.64Å; S350-W360 PolarHBondContact OG-NE1 2.94Å; S350-I386 VanDerWaalsContact C-CD1 3.42Å; S350-I386 WeakPolarHBondContact O-CD1 3.42Å
351	G	98.7	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.7	178.9	0	0	0	0	0	110.9	V335 N336 A337	V335-G351 CarbonylContact C-O 3.59Å; N336-G351 PolarHBondContact N-O 3.04Å; N336-G351 VanDerWaalsContact N-O 3.11Å; A337-G351 PolarHBondContact N-O 3.39Å; A337-G351 VanDerWaalsContact N-O 3.11Å; A337-G351 PolarHBondContact O-N 3.15Å
352	S	98.6	Very high	96.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.			trans	-138.5	166.1	-168	161.3	0	0	0	0	113	H331 D333 D334 D354 A355 L356 V383	H331-S352 VanDerWaalsContact CB-OG 3.28Å; H331-S352 WeakPolarHBondContact CB-OG 3.44Å; H331-S352 WeakPolarHBondContact ND1-CB 3.39Å; D333-S352 PolarHBondContact O-OG 2.93Å; D334-S352 CarbonylContact O-C 3.58Å; D334-S352 WeakPolarHBondContact O-CA 3.47Å; D334-S352 VanDerWaalsContact O-CB 3.3Å; D334-S352 WeakPolarHBondContact O-CB 3.09Å; D334-S352 PolarHBondContact O-OG 2.99Å; D334-S352 VanDerWaalsContact O-OG 3.13Å; S352-D354 WeakPolarHBondContact CB-OD1 3.48Å; S352-D354 PolarHBondContact O-N 3.33Å; S352-D354 PolarHBondContact OG-N 2.8Å; S352-A355 PolarHBondContact O-N 2.58Å; S352-L356 PolarHBondContact N-O 3.43Å; S352-V383 WeakPolarHBondContact O-CB 3.46Å; S352-V383 PolarHBondContact O-N 3.38Å
353	D	97.8	Very high	96.5	Very high	27 Å²	27	26.2 Å²	26.2	14%	0.144	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.2	166.6	-82.8	-13.3	0	0	0	115.1	D333 D334 N336 A355 G382 K400	D333-D353 HydrophobicContact CB-CB 3.67Å; D334-D353 PolarHBondContact O-N 3.37Å; N336-D353 VanDerWaalsContact ND2-CG 3.29Å; N336-D353 PolarHBondContact ND2-OD1 3.11Å; D353-A355 PolarHBondContact O-N 3.03Å; D353-G382 WeakPolarHBondContact OD1-CA 3.29Å; D353-K400 WeakPolarHBondContact OD1-CE 3.38Å; D353-K400 IonicContact OD1-NZ 3.74Å; D353-K400 PolarHBondContact OD1-NZ 3.29Å; D353-K400 IonicContact OD2-NZ 3.44Å; D353-K400 PolarHBondContact OD2-NZ 3Å
354	D	97.2	Very high	96.5	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.011	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	3.2	169.4	84.3	-13.1	0	0	0	113.9	H331 E332 D333 S352 L356 K358	H331-D354 IonicContact CE1-OD1 2.72Å; H331-D354 IonicContact CG-OD1 3.34Å; H331-D354 IonicContact CG-OD2 2.65Å; H331-D354 IonicContact ND1-OD1 3.84Å; H331-D354 PolarHBondContact ND1-OD1 2.83Å; H331-D354 IonicContact ND1-OD2 3.87Å; H331-D354 PolarHBondContact ND1-OD2 3.23Å; H331-D354 VanDerWaalsContact ND1-OD2 3.1Å; E332-D354 HydrophobicContact CB-CB 4.4Å; D333-D354 WeakPolarHBondContact OD2-CA 3.29Å; D333-D354 WeakPolarHBondContact OD2-CB 3.37Å; D333-D354 PolarHBondContact OD2-N 3.32Å; S352-D354 WeakPolarHBondContact CB-OD1 3.48Å; S352-D354 PolarHBondContact O-N 3.33Å; S352-D354 PolarHBondContact OG-N 2.8Å; D354-L356 PolarHBondContact O-N 3.11Å; D354-L356 VanDerWaalsContact OD1-CB 3.24Å; D354-L356 WeakPolarHBondContact OD1-CB 3.47Å; D354-L356 PolarHBondContact OD1-N 2.75Å; D354-K358 WeakPolarHBondContact OD2-CE 3.43Å; D354-K358 IonicContact OD2-NZ 2.85Å; D354-K358 PolarHBondContact OD2-NZ 2.76Å
355	A	97.1	Very high	96.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.008	11%	0.107	C	C	.	.	S	Bend	trans	60	15.7	-176.8	0	0	0	0	0	115.1	S352 D353 H379 D381 V425	S352-A355 PolarHBondContact O-N 2.58Å; D353-A355 PolarHBondContact O-N 3.03Å; A355-H379 HydrophobicContact CB-CB 4.22Å; A355-D381 WeakPolarHBondContact CB-O 3.34Å; A355-V425 HydrophobicContact CB-CG2 3.38Å
356	L	98.4	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.121	C	C	.	.			trans	-103	148	175.3	-51.3	179.7	0	0	0	111.2	H331 S352 D354 K358 A377 L418	H331-L356 PolarHBondContact CE1-O 2.95Å; S352-L356 PolarHBondContact N-O 3.43Å; D354-L356 PolarHBondContact O-N 3.11Å; D354-L356 VanDerWaalsContact OD1-CB 3.24Å; D354-L356 WeakPolarHBondContact OD1-CB 3.47Å; D354-L356 PolarHBondContact OD1-N 2.75Å; L356-K358 HydrophobicContact CB-CG 4.43Å; L356-A377 HydrophobicContact CD2-CB 3.77Å; L356-L418 HydrophobicContact CD1-CD2 3.99Å; L356-L418 HydrophobicContact CD2-CD2 3.8Å
357	C	98.7	Very high	96.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.6	157.6	-54.9	0	0	0	0	108.3	S350 L376 I386 L395 S397	S350-C357 CarbonylContact O-C 3.58Å; S350-C357 VanDerWaalsContact O-CA 3.24Å; S350-C357 WeakPolarHBondContact O-CA 3.42Å; C357-L376 HydrophobicContact CB-CB 4.13Å; C357-L376 HydrophobicContact CB-CD1 4.35Å; C357-L376 PolarHBondContact N-O 3.27Å; C357-L376 PolarHBondContact O-N 2.79Å; C357-I386 HydrophobicContact CB-CD1 3.94Å; C357-L395 HydrophobicContact CB-CD1 4.38Å; C357-S397 WeakPolarHBondContact SG-CB 3.46Å
358	K	98.6	Very high	96.4	Very high	10 Å²	10	32.3 Å²	32.3	4%	0.043	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.3	-177.5	-63	177.6	-170.2	153.6	0	110.6	A330 H331 F349 S350 D354 L356 W360 P372 Q375	A330-K358 VanDerWaalsContact O-CD 3.3Å; A330-K358 WeakPolarHBondContact O-CD 3.37Å; A330-K358 PolarHBondContact O-NZ 3.39Å; H331-K358 VanDerWaalsContact CE1-CD 3.45Å; H331-K358 WeakPolarHBondContact CE1-CD 3.47Å; H331-K358 VanDerWaalsContact ND1-CE 3.34Å; H331-K358 WeakPolarHBondContact ND1-CE 3.44Å; H331-K358 PolarHBondContact ND1-NZ 3.1Å; F349-K358 WeakPolarHBondContact CA-O 3.19Å; S350-K358 PolarHBondContact N-O 3.21Å; S350-K358 PolarHBondContact O-N 2.64Å; D354-K358 WeakPolarHBondContact OD2-CE 3.43Å; D354-K358 IonicContact OD2-NZ 2.85Å; D354-K358 PolarHBondContact OD2-NZ 2.76Å; L356-K358 HydrophobicContact CB-CG 4.43Å; K358-W360 HydrophobicContact CB-CZ2 4Å; K358-W360 HydrophobicContact CD-CZ2 4.04Å; K358-P372 HydrophobicContact CB-CB 4.13Å; K358-P372 HydrophobicContact CD-CG 4.41Å; K358-Q375 HydrophobicContact CG-CG 4.1Å
359	V	98.5	Very high	96.1	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126	-177	-179	0	0	0	0	109.2	L348 F349 P372 V373 G374 L376 V409 F412	L348-V359 WeakPolarHBondContact O-CA 3.36Å; F349-V359 HydrophobicContact CD1-CB 4.34Å; F349-V359 HydrophobicContact CD1-CG1 4.07Å; F349-V359 HydrophobicContact CD1-CG2 3.82Å; F349-V359 HydrophobicContact CE1-CB 4.5Å; F349-V359 HydrophobicContact CE1-CG1 3.88Å; F349-V359 HydrophobicContact CE1-CG2 3.97Å; V359-P372 CarbonylContact O-C 3.56Å; V359-P372 WeakPolarHBondContact O-CA 3.32Å; V359-P372 WeakPolarHBondContact O-CB 3.31Å; V359-V373 PolarHBondContact O-N 2.89Å; V359-G374 PolarHBondContact N-O 3.34Å; V359-G374 PolarHBondContact O-N 3.24Å; V359-L376 HydrophobicContact CG2-CD1 4.23Å; V359-V409 HydrophobicContact CG2-CB 4.29Å; V359-V409 HydrophobicContact CG2-CG1 3.95Å; V359-F412 HydrophobicContact CB-CE1 3.93Å; V359-F412 HydrophobicContact CB-CZ 4.28Å; V359-F412 HydrophobicContact CG1-CE1 4.49Å; V359-F412 HydrophobicContact CG1-CZ 4.47Å; V359-F412 HydrophobicContact CG2-CE1 3.85Å
360	W	98.1	Very high	95.8	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147	-172.7	-49.9	86	0	0	0	110.7	L314 I328 A330 L347 L348 S350 K358 L365 P372	L314-W360 HydrophobicContact CD1-CD2 4.33Å; L314-W360 HydrophobicContact CD1-CG 4.46Å; L314-W360 HydrophobicContact CD1-CZ2 4.21Å; I328-W360 HydrophobicContact CG2-CH2 4.2Å; I328-W360 HydrophobicContact CG2-CZ3 3.99Å; A330-W360 HydrophobicContact CB-CH2 4.01Å; A330-W360 HydrophobicContact CB-CZ2 3.69Å; L347-W360 WeakPolarHBondContact CA-O 3.36Å; L347-W360 WeakPolarHBondContact CD2-O 3.18Å; L348-W360 HydrophobicContact CB-CB 4.21Å; L348-W360 PolarHBondContact N-O 3.14Å; L348-W360 PolarHBondContact O-N 2.89Å; S350-W360 PolarHBondContact OG-NE1 2.94Å; K358-W360 HydrophobicContact CB-CZ2 4Å; K358-W360 HydrophobicContact CD-CZ2 4.04Å; W360-L365 HydrophobicContact CB-CD1 4.34Å; W360-L365 HydrophobicContact CD2-CD1 4.22Å; W360-L365 HydrophobicContact CE3-CD1 3.59Å; W360-L365 HydrophobicContact CZ3-CD1 4.26Å; W360-P372 HydrophobicContact CD2-CB 3.97Å; W360-P372 HydrophobicContact CE3-CB 3.94Å; W360-P372 HydrophobicContact CH2-CB 4.09Å; W360-P372 HydrophobicContact CH2-CG 4.23Å; W360-P372 HydrophobicContact CZ2-CB 4.1Å; W360-P372 HydrophobicContact CZ2-CG 4.49Å; W360-P372 HydrophobicContact CZ3-CB 4.01Å; W360-P372 HydrophobicContact CZ3-CG 4.38Å
361	D	95.9	Very high	95.6	Very high	22 Å²	22	45.1 Å²	45.1	12%	0.118	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.6	173.8	173.2	-8.7	0	0	0	108.9	L347 R363 T364 L365 V373	L347-D361 HydrophobicContact CD2-CB 4.06Å; D361-R363 VanDerWaalsContact CG-CZ 3.42Å; D361-R363 PolarHBondContact O-N 2.94Å; D361-R363 VanDerWaalsContact OD1-CB 3.28Å; D361-R363 WeakPolarHBondContact OD1-CB 3.46Å; D361-R363 IonicContact OD1-CZ 2.72Å; D361-R363 PolarHBondContact OD1-N 3.42Å; D361-R363 IonicContact OD1-NE 3.51Å; D361-R363 IonicContact OD1-NH1 2.81Å; D361-R363 PolarHBondContact OD1-NH1 3.3Å; D361-R363 IonicContact OD1-NH2 3.86Å; D361-R363 PolarHBondContact OD1-NH2 3.34Å; D361-R363 IonicContact OD2-CZ 3.03Å; D361-R363 IonicContact OD2-NH1 2.73Å; D361-R363 PolarHBondContact OD2-NH1 2.76Å; D361-R363 IonicContact OD2-NH2 3.64Å; D361-R363 PolarHBondContact OD2-NH2 3.18Å; D361-T364 PolarHBondContact O-N 3.33Å; D361-T364 PolarHBondContact O-OG1 2.67Å; D361-L365 PolarHBondContact O-N 3.22Å; D361-V373 HydrophobicContact CB-CG2 3.48Å; D361-V373 VanDerWaalsContact CB-CG2 3.48Å
362	R	92.9	Very high	95.5	Very high	50 Å²	50	46.7 Å²	46.7	19%	0.189	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-28.4	-176.6	-176.2	65.7	-164.1	92.9	-11.4	112.8	E304 Q346 T364	E304-R362 IonicContact OE1-CZ 2.78Å; E304-R362 IonicContact OE1-NE 3.69Å; E304-R362 PolarHBondContact OE1-NE 3.33Å; E304-R362 IonicContact OE1-NH2 2.64Å; E304-R362 PolarHBondContact OE1-NH2 2.57Å; E304-R362 IonicContact OE2-CZ 3.48Å; E304-R362 IonicContact OE2-NE 3.16Å; E304-R362 PolarHBondContact OE2-NE 3.26Å; E304-R362 IonicContact OE2-NH2 3.95Å; Q346-R362 WeakPolarHBondContact O-CB 3.45Å; Q346-R362 PolarHBondContact O-N 2.66Å; R362-T364 VanDerWaalsContact C-N 3.34Å
363	R	91.6	Very high	95.4	Very high	156 Å²	156	50.4 Å²	50.4	59%	0.589	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.2	179.6	-57.1	175.1	-86.6	83	11.1	113.9	Q346 D361	Q346-R363 VanDerWaalsContact OE1-CG 3.25Å; D361-R363 VanDerWaalsContact CG-CZ 3.42Å; D361-R363 PolarHBondContact O-N 2.94Å; D361-R363 VanDerWaalsContact OD1-CB 3.28Å; D361-R363 WeakPolarHBondContact OD1-CB 3.46Å; D361-R363 IonicContact OD1-CZ 2.72Å; D361-R363 PolarHBondContact OD1-N 3.42Å; D361-R363 IonicContact OD1-NE 3.51Å; D361-R363 IonicContact OD1-NH1 2.81Å; D361-R363 PolarHBondContact OD1-NH1 3.3Å; D361-R363 IonicContact OD1-NH2 3.86Å; D361-R363 PolarHBondContact OD1-NH2 3.34Å; D361-R363 IonicContact OD2-CZ 3.03Å; D361-R363 IonicContact OD2-NH1 2.73Å; D361-R363 PolarHBondContact OD2-NH1 2.76Å; D361-R363 IonicContact OD2-NH2 3.64Å; D361-R363 PolarHBondContact OD2-NH2 3.18Å
364	T	92.9	Very high	95.4	Very high	59 Å²	59	49.6 Å²	49.6	36%	0.362	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-19.7	178.7	65.2	0	0	0	0	113.9	D361 R362 R366	D361-T364 PolarHBondContact O-N 3.33Å; D361-T364 PolarHBondContact O-OG1 2.67Å; R362-T364 VanDerWaalsContact C-N 3.34Å; T364-R366 PolarHBondContact O-NE 3.26Å; T364-R366 VanDerWaalsContact O-NE 3.12Å
365	L	94	Very high	95.4	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.099	25%	0.248	C	C	.	.			trans	-53.8	132.1	175.8	-166.7	67	0	0	0	112.6	L326 I328 L348 W360 D361	L326-L365 HydrophobicContact CD1-CB 4.47Å; L326-L365 HydrophobicContact CD1-CD2 3.75Å; L326-L365 HydrophobicContact CD1-CG 3.93Å; I328-L365 HydrophobicContact CD1-CD1 4Å; I328-L365 HydrophobicContact CD1-CG 3.91Å; I328-L365 HydrophobicContact CG1-CD1 3.91Å; I328-L365 HydrophobicContact CG1-CD2 4.27Å; I328-L365 HydrophobicContact CG1-CG 4Å; I328-L365 HydrophobicContact CG2-CD1 3.99Å; L348-L365 HydrophobicContact CD1-CD2 3.89Å; W360-L365 HydrophobicContact CB-CD1 4.34Å; W360-L365 HydrophobicContact CD2-CD1 4.22Å; W360-L365 HydrophobicContact CE3-CD1 3.59Å; W360-L365 HydrophobicContact CZ3-CD1 4.26Å; D361-L365 PolarHBondContact O-N 3.22Å
366	R	91.9	Very high	95.5	Very high	101 Å²	101	51.9 Å²	51.9	38%	0.381	25%	0.248	S	C	.	.			trans	-163.9	149.5	-174.9	66.5	-175.5	80	-166.5	-6.6	111.4	I328 T364 D368 R369	I328-R366 WeakPolarHBondContact CD1-O 3.34Å; T364-R366 PolarHBondContact O-NE 3.26Å; T364-R366 VanDerWaalsContact O-NE 3.12Å; R366-D368 VanDerWaalsContact CB-OD1 3.28Å; R366-D368 WeakPolarHBondContact CB-OD1 3.41Å; R366-D368 WeakPolarHBondContact CD-OD1 3.43Å; R366-D368 WeakPolarHBondContact CD-OD2 3.07Å; R366-D368 WeakPolarHBondContact CG-OD1 3.37Å; R366-R369 HydrophobicContact CG-CB 4.06Å
367	E	94.5	Very high	95.5	Very high	95 Å²	95	51.9 Å²	51.9	44%	0.444	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-36.7	-178.6	-49	-169.4	144.5	0	0	112.8	L326 K327 I328 R369	L326-E367 WeakPolarHBondContact CA-OE1 3.24Å; L326-E367 HydrophobicContact CD2-CG 3.8Å; K327-E367 PolarHBondContact N-OE1 3.26Å; K327-E367 WeakPolarHBondContact O-CG 3.38Å; I328-E367 HydrophobicContact CD1-CG 4.45Å; E367-R369 PolarHBondContact O-N 3.01Å
368	D	93.7	Very high	95.4	Very high	126 Å²	126	51.8 Å²	51.8	67%	0.674	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-17.3	-176.8	63.9	-68.4	0	0	0	114.3	R366	R366-D368 VanDerWaalsContact CB-OD1 3.28Å; R366-D368 WeakPolarHBondContact CB-OD1 3.41Å; R366-D368 WeakPolarHBondContact CD-OD1 3.43Å; R366-D368 WeakPolarHBondContact CD-OD2 3.07Å; R366-D368 WeakPolarHBondContact CG-OD1 3.37Å
369	R	92.1	Very high	95.2	Very high	123 Å²	123	51.3 Å²	51.3	46%	0.464	25%	0.245	S	C	.	.	S	Bend	trans	-155.5	69.5	-174.3	-155.1	-168.7	72.2	165.1	7.8	111.6	R366 E367 Q371	R366-R369 HydrophobicContact CG-CB 4.06Å; E367-R369 PolarHBondContact O-N 3.01Å; R369-Q371 HydrophobicContact CG-CG 4.19Å; R369-Q371 VanDerWaalsContact CZ-OE1 3.26Å; R369-Q371 PolarHBondContact O-N 3.14Å
370	P	92.2	Very high	95	Very high	43 Å²	43	52.4 Å²	52.4	28%	0.279	25%	0.249	S	C	.	.			trans	-65.5	102.5	179.4	28.9	-35.5	0	0	0	109.9	I328 D329	I328-P370 HydrophobicContact CG2-CB 3.72Å; D329-P370 HydrophobicContact CB-CG 4.29Å; D329-P370 WeakPolarHBondContact O-CB 3.33Å; D329-P370 WeakPolarHBondContact O-CG 3.25Å
371	Q	94.4	Very high	94.9	Very high	105 Å²	105	53 Å²	53	49%	0.491	25%	0.252	S	S	.	.			trans	-132.2	114.4	179.4	-71.5	-176.4	-4.8	0	0	109.4	R369	R369-Q371 HydrophobicContact CG-CG 4.19Å; R369-Q371 VanDerWaalsContact CZ-OE1 3.26Å; R369-Q371 PolarHBondContact O-N 3.14Å
372	P	96.8	Very high	94.9	Very high	34 Å²	34	52 Å²	52	22%	0.221	25%	0.247	C	C	.	.			trans	-69.4	148.6	171.8	30.3	-34.3	0	0	0	109.7	K358 V359 W360 G374 Q375	K358-P372 HydrophobicContact CB-CB 4.13Å; K358-P372 HydrophobicContact CD-CG 4.41Å; V359-P372 CarbonylContact O-C 3.56Å; V359-P372 WeakPolarHBondContact O-CA 3.32Å; V359-P372 WeakPolarHBondContact O-CB 3.31Å; W360-P372 HydrophobicContact CD2-CB 3.97Å; W360-P372 HydrophobicContact CE3-CB 3.94Å; W360-P372 HydrophobicContact CH2-CB 4.09Å; W360-P372 HydrophobicContact CH2-CG 4.23Å; W360-P372 HydrophobicContact CZ2-CB 4.1Å; W360-P372 HydrophobicContact CZ2-CG 4.49Å; W360-P372 HydrophobicContact CZ3-CB 4.01Å; W360-P372 HydrophobicContact CZ3-CG 4.38Å; P372-G374 PolarHBondContact O-N 2.62Å; P372-Q375 HydrophobicContact CB-CG 4.46Å; P372-Q375 HydrophobicContact CG-CG 3.79Å
373	V	96.6	Very high	95.1	Very high	77 Å²	77	49.6 Å²	49.6	47%	0.467	24%	0.238	S	C	.	.	S	Bend	trans	-62.2	-32.6	172.4	-179.4	0	0	0	0	110.6	V359 D361 F412	V359-V373 PolarHBondContact O-N 2.89Å; D361-V373 HydrophobicContact CB-CG2 3.48Å; D361-V373 VanDerWaalsContact CB-CG2 3.48Å; V373-F412 HydrophobicContact CG1-CE2 4.27Å; V373-F412 HydrophobicContact CG1-CZ 4.32Å
374	G	97.2	Very high	95.5	Very high	10 Å²	10	42.1 Å²	42.1	10%	0.103	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	173.4	171.9	0	0	0	0	0	113	V359 P372	V359-G374 PolarHBondContact N-O 3.34Å; V359-G374 PolarHBondContact O-N 3.24Å; P372-G374 PolarHBondContact O-N 2.62Å
375	Q	98.2	Very high	95.8	Very high	50 Å²	50	39.9 Å²	39.9	23%	0.234	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148	-170.4	-53	-171.2	51	0	0	109.4	K358 P372 F412 S413 L418	K358-Q375 HydrophobicContact CG-CG 4.1Å; P372-Q375 HydrophobicContact CB-CG 4.46Å; P372-Q375 HydrophobicContact CG-CG 3.79Å; Q375-F412 WeakPolarHBondContact O-CA 3.17Å; Q375-F412 WeakPolarHBondContact O-CB 3.26Å; Q375-S413 PolarHBondContact O-N 3.03Å; Q375-L418 HydrophobicContact CB-CD2 3.62Å; Q375-L418 HydrophobicContact CG-CD2 4.49Å
376	L	98.6	Very high	96	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.1	-175.8	-62.6	164.2	0	0	0	107.4	C357 V359 L395 W407 F412	C357-L376 HydrophobicContact CB-CB 4.13Å; C357-L376 HydrophobicContact CB-CD1 4.35Å; C357-L376 PolarHBondContact N-O 3.27Å; C357-L376 PolarHBondContact O-N 2.79Å; V359-L376 HydrophobicContact CG2-CD1 4.23Å; L376-L395 HydrophobicContact CD1-CD2 3.9Å; L376-W407 HydrophobicContact CB-CD2 3.98Å; L376-W407 HydrophobicContact CB-CE3 3.86Å; L376-W407 HydrophobicContact CB-CG 4.47Å; L376-W407 HydrophobicContact CB-CZ3 4.14Å; L376-W407 HydrophobicContact CD1-CB 3.73Å; L376-W407 HydrophobicContact CD1-CD2 4.27Å; L376-W407 HydrophobicContact CD1-CG 3.9Å; L376-W407 HydrophobicContact CD2-CB 4.25Å; L376-W407 HydrophobicContact CD2-CD2 4.36Å; L376-W407 HydrophobicContact CD2-CE3 3.91Å; L376-W407 HydrophobicContact CG-CD2 4.43Å; L376-W407 HydrophobicContact CG-CE3 4.34Å; L376-F412 HydrophobicContact CD2-CD1 4.15Å; L376-F412 HydrophobicContact CG-CD1 4.38Å
377	A	98	Very high	96.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.			trans	-127.9	153.9	-169.7	0	0	0	0	0	109.3	L356 W407 S413 G417 L418 S421 D453	L356-A377 HydrophobicContact CD2-CB 3.77Å; A377-W407 WeakPolarHBondContact O-CH2 3.27Å; A377-W407 VanDerWaalsContact O-CZ3 3.3Å; A377-W407 WeakPolarHBondContact O-CZ3 3.33Å; A377-S413 WeakPolarHBondContact CB-OG 3.42Å; A377-S413 PolarHBondContact N-OG 2.93Å; A377-S413 PolarHBondContact O-OG 3.1Å; A377-G417 VanDerWaalsContact CB-C 3.47Å; A377-G417 WeakPolarHBondContact CB-O 3.47Å; A377-L418 HydrophobicContact CB-CD2 3.87Å; A377-S421 WeakPolarHBondContact CB-OG 3.34Å; A377-D453 WeakPolarHBondContact O-CA 3.29Å
378	G	95.8	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.			trans	136.2	-11.8	178.3	0	0	0	0	0	115.1	K405 S421	G378-K405 VanDerWaalsContact O-CE 3.3Å; G378-K405 WeakPolarHBondContact O-CE 3.41Å; G378-S421 PolarHBondContact N-OG 3.48Å
379	H	96.2	Very high	96.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.			trans	-65.5	156.7	158.6	-80.7	-59.5	0	0	0	110.2	A355 S397 S399 D401 S403	A355-H379 HydrophobicContact CB-CB 4.22Å; H379-S397 PolarHBondContact CD2-OG 3.14Å; H379-S397 PolarHBondContact NE2-OG 2.9Å; H379-S399 WeakPolarHBondContact CE1-CB 3.41Å; H379-S399 WeakPolarHBondContact ND1-CB 3.49Å; H379-D401 VanDerWaalsContact CA-OD2 3.26Å; H379-D401 WeakPolarHBondContact CA-OD2 3.49Å; H379-D401 IonicContact CE1-OD1 3.97Å; H379-D401 IonicContact CG-OD2 3.31Å; H379-D401 IonicContact ND1-OD1 3.49Å; H379-D401 PolarHBondContact ND1-OD1 2.99Å; H379-D401 IonicContact ND1-OD2 3.58Å; H379-D401 PolarHBondContact ND1-OD2 3.06Å; H379-S403 PolarHBondContact CE1-O 3.47Å
380	R	94.3	Very high	96.9	Very high	27 Å²	27	24 Å²	24	10%	0.102	14%	0.139	C	C	.	.	S	Bend	trans	-109.8	-2.6	-178.1	-72.2	170.3	168.9	67.5	-11.3	114	D401 A424 V425 Q428 L445 H448 L450	R380-D401 HydrophobicContact CB-CB 4.16Å; R380-D401 PolarHBondContact N-OD2 2.76Å; R380-A424 HydrophobicContact CB-CB 3.93Å; R380-A424 HydrophobicContact CG-CB 3.96Å; R380-A424 CarbonylContact O-C 3.54Å; R380-V425 PolarHBondContact O-N 2.84Å; R380-Q428 PolarHBondContact O-NE2 3.36Å; R380-L445 VanDerWaalsContact CZ-O 3.3Å; R380-L445 PolarHBondContact NE-O 3.03Å; R380-L445 PolarHBondContact NH2-O 3.09Å; R380-H448 PolarHBondContact NH2-O 3.49Å; R380-L450 HydrophobicContact CG-CD1 4.44Å; R380-L450 HydrophobicContact CG-CD2 4.41Å
381	D	94.3	Very high	97.1	Very high	14 Å²	14	23 Å²	23	8%	0.075	13%	0.132	C	C	.	.	S	Bend	trans	-162.6	164.7	-168.4	-152.3	-36.5	0	0	0	107.1	A355 S399 K400 D401 W430	A355-D381 WeakPolarHBondContact CB-O 3.34Å; D381-S399 PolarHBondContact O-OG 2.95Å; D381-K400 HydrophobicContact CB-CB 3.86Å; D381-K400 VanDerWaalsContact CG-CB 3.46Å; D381-K400 VanDerWaalsContact OD1-CB 3.29Å; D381-K400 WeakPolarHBondContact OD1-CB 3.46Å; D381-K400 WeakPolarHBondContact OD1-CD 3.49Å; D381-D401 HydrophobicContact CB-CB 3.82Å; D381-W430 PolarHBondContact OD2-NE1 2.98Å
382	G	96.3	Very high	97.1	Very high	1 Å²	1	19 Å²	19	1%	0.01	12%	0.117	C	C	.	.			trans	-56.2	144.5	-166.9	0	0	0	0	0	115.6	D353 S399 K400	D353-G382 WeakPolarHBondContact OD1-CA 3.29Å; G382-S399 CarbonylContact O-C 3.52Å; G382-S399 VanDerWaalsContact O-CA 3.25Å; G382-S399 WeakPolarHBondContact O-CA 3.45Å; G382-S399 WeakPolarHBondContact O-CB 3.36Å; G382-S399 PolarHBondContact O-OG 2.92Å; G382-S399 VanDerWaalsContact O-OG 3.06Å; G382-K400 WeakPolarHBondContact O-CG 3.43Å; G382-K400 PolarHBondContact O-N 2.93Å
383	V	98.7	Very high	97.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.9	174.8	176.8	0	0	0	0	108.8	N336 S352 I386 N398	N336-V383 VanDerWaalsContact CB-O 3.25Å; N336-V383 WeakPolarHBondContact CB-O 3.31Å; N336-V383 PolarHBondContact ND2-O 2.87Å; S352-V383 WeakPolarHBondContact O-CB 3.46Å; S352-V383 PolarHBondContact O-N 3.38Å; V383-I386 HydrophobicContact CG1-CG1 4.07Å; V383-N398 CarbonylContact C-O 3.56Å; V383-N398 WeakPolarHBondContact CA-O 3.47Å; V383-N398 WeakPolarHBondContact CG1-O 3.3Å
384	T	98.6	Very high	97.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-26.4	-177.6	53.3	0	0	0	0	114.1	N398 K400 V464 L468 I469	T384-N398 PolarHBondContact N-O 3.01Å; T384-N398 WeakPolarHBondContact OG1-CB 3.21Å; T384-N398 PolarHBondContact OG1-ND2 3.3Å; T384-N398 PolarHBondContact OG1-O 3.34Å; T384-K400 HydrophobicContact CG2-CG 3.76Å; T384-V464 HydrophobicContact CG2-CG1 3.79Å; T384-L468 HydrophobicContact CG2-CD2 3.92Å; T384-I469 PolarHBondContact OG1-O 2.8Å
385	F	98.6	Very high	97.3	Very high	12 Å²	12	17.1 Å²	17.1	5%	0.053	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	156.5	176	-159	-113.7	0	0	0	111.5	S397 N398 R470 C471	F385-S397 CarbonylContact O-C 3.53Å; F385-S397 VanDerWaalsContact O-CA 3.29Å; F385-S397 WeakPolarHBondContact O-CA 3.47Å; F385-N398 HydrophobicContact CB-CB 4.45Å; F385-N398 PolarHBondContact O-N 3.5Å; F385-R470 HydrophobicContact CB-CB 4.41Å; F385-R470 HydrophobicContact CB-CG 4.29Å; F385-R470 HydrophobicContact CD1-CB 3.77Å; F385-R470 HydrophobicContact CD1-CG 4.05Å; F385-R470 HydrophobicContact CD2-CB 4.35Å; F385-R470 HydrophobicContact CD2-CG 3.69Å; F385-R470 HydrophobicContact CE1-CB 4.07Å; F385-R470 HydrophobicContact CE1-CG 4.29Å; F385-R470 HydrophobicContact CE2-CG 3.98Å; F385-R470 HydrophobicContact CG-CB 3.91Å; F385-R470 HydrophobicContact CG-CG 3.73Å; F385-R470 HydrophobicContact CZ-CG 4.27Å; F385-C471 WeakPolarHBondContact CD1-O 3.24Å
386	I	98.8	Very high	97.3	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.5	171.9	-72.9	-177.5	0	0	0	108.8	A337 A339 F349 S350 C357 V383 L395 I396	A337-I386 HydrophobicContact CB-CB 4Å; A337-I386 HydrophobicContact CB-CG1 4Å; A339-I386 HydrophobicContact CB-CG2 4.33Å; F349-I386 HydrophobicContact CB-CG2 4.13Å; S350-I386 VanDerWaalsContact C-CD1 3.42Å; S350-I386 WeakPolarHBondContact O-CD1 3.42Å; C357-I386 HydrophobicContact CB-CD1 3.94Å; V383-I386 HydrophobicContact CG1-CG1 4.07Å; I386-L395 HydrophobicContact CD1-CD1 4.07Å; I386-L395 HydrophobicContact CG1-CD1 4.36Å; I386-L395 HydrophobicContact CG2-CB 4.41Å; I386-L395 HydrophobicContact CG2-CD1 3.73Å; I386-I396 CarbonylContact C-O 3.5Å; I386-I396 VanDerWaalsContact CA-O 3.29Å; I386-I396 WeakPolarHBondContact CA-O 3.41Å
387	H	98.7	Very high	97.3	Very high	53 Å²	53	14.7 Å²	14.7	25%	0.245	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.4	166.2	-155.9	-85.2	0	0	0	109.7	L395 I396 R472	H387-L395 WeakPolarHBondContact O-CA 3.46Å; H387-I396 HydrophobicContact CB-CD1 4.1Å; H387-I396 HydrophobicContact CB-CG1 3.76Å; H387-I396 PolarHBondContact N-O 3.13Å; H387-I396 PolarHBondContact O-N 3.01Å; H387-R472 VanDerWaalsContact CD2-CG 3.48Å; H387-R472 WeakPolarHBondContact CD2-CG 3.26Å
388	S	98.2	Very high	97.4	Very high	13 Å²	13	14.7 Å²	14.7	9%	0.091	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	153.1	168.9	-173.3	0	0	0	0	110.5	F340 A341 G390 F473	F340-S388 VanDerWaalsContact O-CB 3.26Å; F340-S388 WeakPolarHBondContact O-CB 3.35Å; A341-S388 PolarHBondContact O-OG 3.41Å; S388-G390 PolarHBondContact OG-N 2.97Å; S388-F473 WeakPolarHBondContact O-CD2 3.29Å
389	K	97.7	Very high	97.4	Very high	15 Å²	15	14.7 Å²	14.7	7%	0.065	8%	0.082	C	C	.	.			trans	-76.1	-15.6	162.6	-169.9	177.5	164.5	-61.6	0	112	I137 D391 Y394 F473 Q481	I137-K389 HydrophobicContact CD1-CD 3.74Å; I137-K389 HydrophobicContact CG1-CD 4.16Å; K389-D391 WeakPolarHBondContact CD-OD2 3.24Å; K389-D391 WeakPolarHBondContact CE-OD2 3.34Å; K389-D391 IonicContact NZ-OD2 3.78Å; K389-D391 PolarHBondContact NZ-OD2 2.85Å; K389-Y394 VanDerWaalsContact CB-O 3.22Å; K389-Y394 WeakPolarHBondContact CB-O 3.25Å; K389-Y394 HydrophobicContact CD-CD2 4.16Å; K389-Y394 HydrophobicContact CD-CG 4.29Å; K389-Y394 PolarHBondContact N-O 2.93Å; K389-F473 HydrophobicContact CB-CD2 4.12Å; K389-F473 HydrophobicContact CB-CE2 3.64Å; K389-F473 HydrophobicContact CB-CZ 3.91Å; K389-F473 HydrophobicContact CD-CZ 4.41Å; K389-F473 HydrophobicContact CG-CE1 4.45Å; K389-F473 HydrophobicContact CG-CE2 4.26Å; K389-F473 HydrophobicContact CG-CZ 4.2Å; K389-Q481 PolarHBondContact O-NE2 3.17Å
390	G	96.7	Very high	97.4	Very high	46 Å²	46	15.6 Å²	15.6	47%	0.474	9%	0.087	S	C	.	.	S	Bend	trans	84.2	7.8	-177	0	0	0	0	0	114.3	A341 D342 S388	A341-G390 CarbonylContact O-C 3.58Å; A341-G390 VanDerWaalsContact O-CA 3.32Å; A341-G390 WeakPolarHBondContact O-CA 3.4Å; D342-G390 WeakPolarHBondContact CB-O 3.39Å; S388-G390 PolarHBondContact OG-N 2.97Å
391	D	95.8	Very high	97.3	Very high	24 Å²	24	14.4 Å²	14.4	13%	0.128	8%	0.082	C	C	.	.	S	Bend	trans	-114.8	18.5	-174.3	75.6	-5.7	0	0	0	114.3	Q140 K389 R393 Y394	Q140-D391 PolarHBondContact NE2-OD2 2.91Å; Q140-D391 PolarHBondContact OE1-OD2 2.89Å; Q140-D391 VanDerWaalsContact OE1-OD2 3.09Å; K389-D391 WeakPolarHBondContact CD-OD2 3.24Å; K389-D391 WeakPolarHBondContact CE-OD2 3.34Å; K389-D391 IonicContact NZ-OD2 3.78Å; K389-D391 PolarHBondContact NZ-OD2 2.85Å; D391-R393 PolarHBondContact O-N 3.3Å; D391-R393 PolarHBondContact O-NE 3.04Å; D391-R393 PolarHBondContact OD1-N 3.23Å; D391-R393 IonicContact OD2-NH2 2.76Å; D391-Y394 PolarHBondContact OD1-N 2.88Å
392	A	96.3	Very high	97.3	Very high	21 Å²	21	13.9 Å²	13.9	17%	0.174	8%	0.079	C	C	.	.	S	Bend	trans	56	7.8	-176.2	0	0	0	0	0	116	A341 D342 L347 V409	A341-A392 PolarHBondContact O-N 2.81Å; D342-A392 HydrophobicContact CB-CB 4.06Å; L347-A392 HydrophobicContact CD1-CB 4.38Å; A392-V409 WeakPolarHBondContact O-CG2 3.34Å
393	R	96.2	Very high	97.2	Very high	79 Å²	79	13.9 Å²	13.9	30%	0.298	8%	0.079	S	C	.	.	S	Bend	trans	-126.6	-35.7	-169.5	-73.2	167.9	-68.9	166	5.5	114	E136 D391 D408 V409	E136-R393 IonicContact OE1-CZ 2.85Å; E136-R393 IonicContact OE1-NH1 3.1Å; E136-R393 PolarHBondContact OE1-NH1 3.02Å; E136-R393 IonicContact OE1-NH2 3.28Å; E136-R393 IonicContact OE2-NH1 2.73Å; E136-R393 PolarHBondContact OE2-NH1 2.97Å; D391-R393 PolarHBondContact O-N 3.3Å; D391-R393 PolarHBondContact O-NE 3.04Å; D391-R393 PolarHBondContact OD1-N 3.23Å; D391-R393 IonicContact OD2-NH2 2.76Å; R393-D408 WeakPolarHBondContact O-CA 3.28Å; R393-V409 PolarHBondContact O-N 3.45Å
394	Y	98.5	Very high	97.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.8	-179.9	-63.1	-83.9	0	0	0	112.6	E136 I137 K389 D391 L406 W407 D408 R410 V456	E136-Y394 HydrophobicContact CB-CE2 4.42Å; E136-Y394 WeakPolarHBondContact CB-OH 3.38Å; E136-Y394 PolarHBondContact N-OH 2.87Å; I137-Y394 HydrophobicContact CB-CD1 4.14Å; I137-Y394 HydrophobicContact CB-CD2 3.9Å; I137-Y394 HydrophobicContact CB-CE1 3.92Å; I137-Y394 HydrophobicContact CB-CE2 3.64Å; I137-Y394 HydrophobicContact CB-CG 4.15Å; I137-Y394 HydrophobicContact CD1-CD1 4.32Å; I137-Y394 HydrophobicContact CD1-CG 4.14Å; I137-Y394 HydrophobicContact CG2-CD1 3.99Å; I137-Y394 HydrophobicContact CG2-CE1 3.55Å; I137-Y394 HydrophobicContact CG2-CE2 4.19Å; I137-Y394 PolarHBondContact N-OH 3.29Å; K389-Y394 VanDerWaalsContact CB-O 3.22Å; K389-Y394 WeakPolarHBondContact CB-O 3.25Å; K389-Y394 HydrophobicContact CD-CD2 4.16Å; K389-Y394 HydrophobicContact CD-CG 4.29Å; K389-Y394 PolarHBondContact N-O 2.93Å; D391-Y394 PolarHBondContact OD1-N 2.88Å; Y394-L406 HydrophobicContact CD1-CD1 4.21Å; Y394-W407 WeakPolarHBondContact CA-O 3.33Å; Y394-W407 VanDerWaalsContact CD1-O 3.26Å; Y394-W407 WeakPolarHBondContact CD1-O 3.38Å; Y394-D408 HydrophobicContact CD1-CB 4.15Å; Y394-D408 HydrophobicContact CE1-CB 3.65Å; Y394-D408 VanDerWaalsContact CE1-OD2 3.23Å; Y394-D408 WeakPolarHBondContact CE1-OD2 3.42Å; Y394-D408 PolarHBondContact OH-OD2 3.37Å; Y394-R410 PolarHBondContact OH-NH2 3.16Å; Y394-V456 HydrophobicContact CE1-CG2 4.48Å
395	L	98.7	Very high	97.2	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	161.4	165.7	66.2	135.3	0	0	0	110.6	F349 C357 L376 I386 H387 W407 V409	F349-L395 HydrophobicContact CD1-CD2 4.19Å; F349-L395 HydrophobicContact CD2-CB 3.83Å; F349-L395 HydrophobicContact CD2-CD1 4.43Å; F349-L395 HydrophobicContact CD2-CD2 4Å; F349-L395 HydrophobicContact CD2-CG 4.3Å; F349-L395 HydrophobicContact CE1-CD2 4.05Å; F349-L395 HydrophobicContact CE2-CB 3.75Å; F349-L395 HydrophobicContact CE2-CD2 3.84Å; F349-L395 HydrophobicContact CE2-CG 4.35Å; F349-L395 HydrophobicContact CG-CD2 4.17Å; F349-L395 HydrophobicContact CZ-CD2 3.86Å; C357-L395 HydrophobicContact CB-CD1 4.38Å; L376-L395 HydrophobicContact CD1-CD2 3.9Å; I386-L395 HydrophobicContact CD1-CD1 4.07Å; I386-L395 HydrophobicContact CG1-CD1 4.36Å; I386-L395 HydrophobicContact CG2-CB 4.41Å; I386-L395 HydrophobicContact CG2-CD1 3.73Å; H387-L395 WeakPolarHBondContact O-CA 3.46Å; L395-W407 HydrophobicContact CD2-CB 4.28Å; L395-W407 HydrophobicContact CG-CB 4.23Å; L395-W407 PolarHBondContact N-O 2.95Å; L395-W407 PolarHBondContact O-N 3.12Å; L395-V409 HydrophobicContact CD2-CG1 3.42Å; L395-V409 VanDerWaalsContact CD2-CG1 3.42Å
396	I	98.9	Very high	97.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150	162.1	56.1	179.2	0	0	0	111.1	I386 H387 I404 K405 L406 C471 F473 I484	I386-I396 CarbonylContact C-O 3.5Å; I386-I396 VanDerWaalsContact CA-O 3.29Å; I386-I396 WeakPolarHBondContact CA-O 3.41Å; H387-I396 HydrophobicContact CB-CD1 4.1Å; H387-I396 HydrophobicContact CB-CG1 3.76Å; H387-I396 PolarHBondContact N-O 3.13Å; H387-I396 PolarHBondContact O-N 3.01Å; I396-I404 HydrophobicContact CB-CG2 3.96Å; I396-I404 HydrophobicContact CG2-CG2 4.24Å; I396-K405 CarbonylContact C-O 3.49Å; I396-K405 WeakPolarHBondContact CA-O 3.5Å; I396-L406 HydrophobicContact CG2-CB 4.34Å; I396-L406 HydrophobicContact CG2-CD1 4.1Å; I396-C471 HydrophobicContact CD1-CB 4.27Å; I396-F473 HydrophobicContact CB-CE2 4.34Å; I396-F473 HydrophobicContact CD1-CD2 4.12Å; I396-F473 HydrophobicContact CD1-CE2 4.33Å; I396-F473 HydrophobicContact CD1-CG 4.46Å; I396-F473 HydrophobicContact CG1-CD2 4.12Å; I396-F473 HydrophobicContact CG1-CE2 3.94Å; I396-F473 HydrophobicContact CG2-CE1 4.18Å; I396-F473 HydrophobicContact CG2-CE2 3.86Å; I396-F473 HydrophobicContact CG2-CZ 3.64Å; I396-I484 HydrophobicContact CD1-CG1 4.05Å; I396-I484 HydrophobicContact CD1-CG2 3.76Å; I396-I484 HydrophobicContact CG2-CD1 3.71Å; I396-I484 HydrophobicContact CG2-CG1 4.15Å
397	S	98.9	Very high	97.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.3	169.9	58	0	0	0	0	110.6	C357 H379 F385 I404 K405 W407	C357-S397 WeakPolarHBondContact SG-CB 3.46Å; H379-S397 PolarHBondContact CD2-OG 3.14Å; H379-S397 PolarHBondContact NE2-OG 2.9Å; F385-S397 CarbonylContact O-C 3.53Å; F385-S397 VanDerWaalsContact O-CA 3.29Å; F385-S397 WeakPolarHBondContact O-CA 3.47Å; S397-I404 CarbonylContact O-C 3.58Å; S397-I404 WeakPolarHBondContact O-CA 3.25Å; S397-K405 PolarHBondContact N-O 2.85Å; S397-K405 PolarHBondContact O-N 3.03Å; S397-W407 PolarHBondContact OG-NE1 3.43Å
398	N	98.8	Very high	97.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	149.9	168	-166.6	23.1	0	0	0	110.2	V383 T384 F385 I404 H462 I469 C471	V383-N398 CarbonylContact C-O 3.56Å; V383-N398 WeakPolarHBondContact CA-O 3.47Å; V383-N398 WeakPolarHBondContact CG1-O 3.3Å; T384-N398 PolarHBondContact N-O 3.01Å; T384-N398 WeakPolarHBondContact OG1-CB 3.21Å; T384-N398 PolarHBondContact OG1-ND2 3.3Å; T384-N398 PolarHBondContact OG1-O 3.34Å; F385-N398 HydrophobicContact CB-CB 4.45Å; F385-N398 PolarHBondContact O-N 3.5Å; N398-I404 HydrophobicContact CB-CG1 4.06Å; N398-I404 WeakPolarHBondContact OD1-CG1 3.44Å; N398-H462 PolarHBondContact OD1-NE2 2.67Å; N398-H462 VanDerWaalsContact OD1-NE2 3.1Å; N398-I469 PolarHBondContact ND2-O 2.97Å; N398-C471 HydrophobicContact CB-CB 4.23Å
399	S	97.6	Very high	97.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.9	-177.5	169	0	0	0	0	113.3	H379 D381 G382 D401 Q402 S403 V464	H379-S399 WeakPolarHBondContact CE1-CB 3.41Å; H379-S399 WeakPolarHBondContact ND1-CB 3.49Å; D381-S399 PolarHBondContact O-OG 2.95Å; G382-S399 CarbonylContact O-C 3.52Å; G382-S399 VanDerWaalsContact O-CA 3.25Å; G382-S399 WeakPolarHBondContact O-CA 3.45Å; G382-S399 WeakPolarHBondContact O-CB 3.36Å; G382-S399 PolarHBondContact O-OG 2.92Å; G382-S399 VanDerWaalsContact O-OG 3.06Å; S399-D401 PolarHBondContact O-N 2.89Å; S399-D401 VanDerWaalsContact OG-CG 3.29Å; S399-D401 PolarHBondContact OG-N 2.81Å; S399-Q402 PolarHBondContact O-N 3.25Å; S399-S403 PolarHBondContact N-O 2.71Å; S399-V464 WeakPolarHBondContact O-CG2 3.4Å
400	K	94.9	Very high	97.1	Very high	20 Å²	20	17.4 Å²	17.4	9%	0.087	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-19.9	164.4	-61.3	176	-170.7	177.6	0	112.5	D353 D381 G382 T384 Q402 W430 Y432	D353-K400 WeakPolarHBondContact OD1-CE 3.38Å; D353-K400 IonicContact OD1-NZ 3.74Å; D353-K400 PolarHBondContact OD1-NZ 3.29Å; D353-K400 IonicContact OD2-NZ 3.44Å; D353-K400 PolarHBondContact OD2-NZ 3Å; D381-K400 HydrophobicContact CB-CB 3.86Å; D381-K400 VanDerWaalsContact CG-CB 3.46Å; D381-K400 VanDerWaalsContact OD1-CB 3.29Å; D381-K400 WeakPolarHBondContact OD1-CB 3.46Å; D381-K400 WeakPolarHBondContact OD1-CD 3.49Å; G382-K400 WeakPolarHBondContact O-CG 3.43Å; G382-K400 PolarHBondContact O-N 2.93Å; T384-K400 HydrophobicContact CG2-CG 3.76Å; K400-Q402 PolarHBondContact O-N 3.2Å; K400-Q402 PolarHBondContact O-NE2 2.87Å; K400-W430 WeakPolarHBondContact O-CZ2 3.2Å; K400-Y432 HydrophobicContact CD-CD1 3.61Å; K400-Y432 HydrophobicContact CD-CD2 4.45Å; K400-Y432 HydrophobicContact CD-CE1 3.79Å; K400-Y432 HydrophobicContact CD-CG 3.98Å; K400-Y432 HydrophobicContact CG-CD1 4.07Å; K400-Y432 HydrophobicContact CG-CD2 4.03Å; K400-Y432 HydrophobicContact CG-CE1 4.34Å; K400-Y432 HydrophobicContact CG-CE2 4.3Å; K400-Y432 HydrophobicContact CG-CG 3.92Å
401	D	92.9	Very high	97.1	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.011	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	9.1	171.5	82.8	14.1	0	0	0	114	H379 R380 D381 S399 S403 K446	H379-D401 VanDerWaalsContact CA-OD2 3.26Å; H379-D401 WeakPolarHBondContact CA-OD2 3.49Å; H379-D401 IonicContact CE1-OD1 3.97Å; H379-D401 IonicContact CG-OD2 3.31Å; H379-D401 IonicContact ND1-OD1 3.49Å; H379-D401 PolarHBondContact ND1-OD1 2.99Å; H379-D401 IonicContact ND1-OD2 3.58Å; H379-D401 PolarHBondContact ND1-OD2 3.06Å; R380-D401 HydrophobicContact CB-CB 4.16Å; R380-D401 PolarHBondContact N-OD2 2.76Å; D381-D401 HydrophobicContact CB-CB 3.82Å; S399-D401 PolarHBondContact O-N 2.89Å; S399-D401 VanDerWaalsContact OG-CG 3.29Å; S399-D401 PolarHBondContact OG-N 2.81Å; D401-S403 VanDerWaalsContact C-N 3.26Å; D401-S403 PolarHBondContact O-N 3.06Å; D401-S403 WeakPolarHBondContact OD1-CB 3.37Å; D401-S403 PolarHBondContact OD1-N 3.04Å; D401-S403 VanDerWaalsContact OD1-N 3.15Å; D401-S403 PolarHBondContact OD1-OG 2.75Å; D401-K446 WeakPolarHBondContact O-CE 3.24Å; D401-K446 PolarHBondContact O-NZ 2.68Å
402	Q	93.4	Very high	97.2	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.014	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	36.2	177.8	-35.9	-71.8	-66	0	0	112	S399 K400 V437 F442 G463 V464	S399-Q402 PolarHBondContact O-N 3.25Å; K400-Q402 PolarHBondContact O-N 3.2Å; K400-Q402 PolarHBondContact O-NE2 2.87Å; Q402-V437 HydrophobicContact CG-CG1 4.07Å; Q402-V437 HydrophobicContact CG-CG2 4.27Å; Q402-F442 HydrophobicContact CG-CE1 4.1Å; Q402-G463 VanDerWaalsContact OE1-CA 3.28Å; Q402-V464 PolarHBondContact NE2-O 3.06Å
403	S	95.3	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149	173.5	77.1	0	0	0	0	112.4	H379 S399 D401 Y459	H379-S403 PolarHBondContact CE1-O 3.47Å; S399-S403 PolarHBondContact N-O 2.71Å; D401-S403 VanDerWaalsContact C-N 3.26Å; D401-S403 PolarHBondContact O-N 3.06Å; D401-S403 WeakPolarHBondContact OD1-CB 3.37Å; D401-S403 PolarHBondContact OD1-N 3.04Å; D401-S403 VanDerWaalsContact OD1-N 3.15Å; D401-S403 PolarHBondContact OD1-OG 2.75Å; S403-Y459 VanDerWaalsContact CA-O 3.32Å; S403-Y459 WeakPolarHBondContact CA-O 3.35Å; S403-Y459 WeakPolarHBondContact CB-O 3.43Å
404	I	98.6	Very high	97.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.4	166.2	-66.6	153.1	0	0	0	107.6	I396 S397 N398 T458 Y459 C471 I484 Y496	I396-I404 HydrophobicContact CB-CG2 3.96Å; I396-I404 HydrophobicContact CG2-CG2 4.24Å; S397-I404 CarbonylContact O-C 3.58Å; S397-I404 WeakPolarHBondContact O-CA 3.25Å; N398-I404 HydrophobicContact CB-CG1 4.06Å; N398-I404 WeakPolarHBondContact OD1-CG1 3.44Å; I404-T458 CarbonylContact O-C 3.58Å; I404-T458 WeakPolarHBondContact O-CA 3.42Å; I404-Y459 HydrophobicContact CB-CD2 4.33Å; I404-Y459 HydrophobicContact CG2-CD2 4.14Å; I404-Y459 PolarHBondContact N-O 2.87Å; I404-Y459 WeakPolarHBondContact O-CD2 3.48Å; I404-Y459 PolarHBondContact O-N 2.91Å; I404-C471 HydrophobicContact CD1-CB 3.56Å; I404-C471 HydrophobicContact CG1-CB 3.93Å; I404-I484 HydrophobicContact CD1-CG2 4.17Å; I404-I484 HydrophobicContact CG2-CG2 4.33Å; I404-Y496 HydrophobicContact CD1-CE2 4.11Å
405	K	98.6	Very high	97.2	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.7	173.7	-76.1	-179.7	169.5	-76.1	0	110.9	G378 I396 S397 W407 D453 S455 M457 T458	G378-K405 VanDerWaalsContact O-CE 3.3Å; G378-K405 WeakPolarHBondContact O-CE 3.41Å; I396-K405 CarbonylContact C-O 3.49Å; I396-K405 WeakPolarHBondContact CA-O 3.5Å; S397-K405 PolarHBondContact N-O 2.85Å; S397-K405 PolarHBondContact O-N 3.03Å; K405-W407 HydrophobicContact CB-CD2 4.5Å; K405-W407 HydrophobicContact CB-CZ2 3.66Å; K405-W407 HydrophobicContact CD-CH2 3.67Å; K405-W407 HydrophobicContact CD-CZ2 3.4Å; K405-W407 VanDerWaalsContact CD-CZ2 3.4Å; K405-W407 HydrophobicContact CG-CZ2 4.16Å; K405-D453 IonicContact NZ-OD1 2.74Å; K405-D453 PolarHBondContact NZ-OD1 3.33Å; K405-D453 IonicContact NZ-OD2 3.64Å; K405-D453 PolarHBondContact NZ-OD2 3.2Å; K405-S455 PolarHBondContact NZ-OG 3.17Å; K405-M457 WeakPolarHBondContact CA-O 3.26Å; K405-T458 HydrophobicContact CG-CG2 4.1Å; K405-T458 PolarHBondContact NZ-OG1 2.81Å
406	L	98.8	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.2	169.5	170.8	69.9	0	0	0	108.9	I137 Y394 I396 S455 V456 M457 Y459 F473 V498	I137-L406 HydrophobicContact CD1-CD1 3.93Å; I137-L406 HydrophobicContact CD1-CD2 4.15Å; I137-L406 HydrophobicContact CG2-CD2 4.34Å; Y394-L406 HydrophobicContact CD1-CD1 4.21Å; I396-L406 HydrophobicContact CG2-CB 4.34Å; I396-L406 HydrophobicContact CG2-CD1 4.1Å; L406-S455 CarbonylContact O-C 3.38Å; L406-S455 WeakPolarHBondContact O-CA 3.18Å; L406-V456 HydrophobicContact CD2-CB 4.07Å; L406-V456 HydrophobicContact CD2-CG1 4.11Å; L406-V456 HydrophobicContact CG-CB 4.1Å; L406-V456 PolarHBondContact O-N 3.27Å; L406-M457 HydrophobicContact CB-CB 4.04Å; L406-M457 HydrophobicContact CD2-CB 4.12Å; L406-M457 PolarHBondContact N-O 3.23Å; L406-Y459 HydrophobicContact CB-CE2 3.94Å; L406-F473 HydrophobicContact CD1-CE1 4.33Å; L406-F473 HydrophobicContact CD1-CZ 3.82Å; L406-V498 HydrophobicContact CD2-CG1 4.28Å
407	W	98.8	Very high	97	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.1	-177.3	-51.2	96.1	0	0	0	111.9	L376 A377 Y394 L395 S397 K405	L376-W407 HydrophobicContact CB-CD2 3.98Å; L376-W407 HydrophobicContact CB-CE3 3.86Å; L376-W407 HydrophobicContact CB-CG 4.47Å; L376-W407 HydrophobicContact CB-CZ3 4.14Å; L376-W407 HydrophobicContact CD1-CB 3.73Å; L376-W407 HydrophobicContact CD1-CD2 4.27Å; L376-W407 HydrophobicContact CD1-CG 3.9Å; L376-W407 HydrophobicContact CD2-CB 4.25Å; L376-W407 HydrophobicContact CD2-CD2 4.36Å; L376-W407 HydrophobicContact CD2-CE3 3.91Å; L376-W407 HydrophobicContact CG-CD2 4.43Å; L376-W407 HydrophobicContact CG-CE3 4.34Å; A377-W407 WeakPolarHBondContact O-CH2 3.27Å; A377-W407 VanDerWaalsContact O-CZ3 3.3Å; A377-W407 WeakPolarHBondContact O-CZ3 3.33Å; Y394-W407 WeakPolarHBondContact CA-O 3.33Å; Y394-W407 VanDerWaalsContact CD1-O 3.26Å; Y394-W407 WeakPolarHBondContact CD1-O 3.38Å; L395-W407 HydrophobicContact CD2-CB 4.28Å; L395-W407 HydrophobicContact CG-CB 4.23Å; L395-W407 PolarHBondContact N-O 2.95Å; L395-W407 PolarHBondContact O-N 3.12Å; S397-W407 PolarHBondContact OG-NE1 3.43Å; K405-W407 HydrophobicContact CB-CD2 4.5Å; K405-W407 HydrophobicContact CB-CZ2 3.66Å; K405-W407 HydrophobicContact CD-CH2 3.67Å; K405-W407 HydrophobicContact CD-CZ2 3.4Å; K405-W407 VanDerWaalsContact CD-CZ2 3.4Å; K405-W407 HydrophobicContact CG-CZ2 4.16Å
408	D	98.1	Very high	96.9	Very high	21 Å²	21	35 Å²	35	11%	0.112	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.4	166.7	-167.9	-44.3	0	0	0	107.5	R393 Y394 R410 K411 V456	R393-D408 WeakPolarHBondContact O-CA 3.28Å; Y394-D408 HydrophobicContact CD1-CB 4.15Å; Y394-D408 HydrophobicContact CE1-CB 3.65Å; Y394-D408 VanDerWaalsContact CE1-OD2 3.23Å; Y394-D408 WeakPolarHBondContact CE1-OD2 3.42Å; Y394-D408 PolarHBondContact OH-OD2 3.37Å; D408-R410 PolarHBondContact O-N 2.8Å; D408-R410 VanDerWaalsContact OD1-CB 3.27Å; D408-R410 WeakPolarHBondContact OD1-CB 3.49Å; D408-R410 WeakPolarHBondContact OD1-CG 3.37Å; D408-R410 IonicContact OD1-CZ 2.72Å; D408-R410 PolarHBondContact OD1-N 3.45Å; D408-R410 VanDerWaalsContact OD1-N 3.09Å; D408-R410 IonicContact OD1-NE 3.5Å; D408-R410 PolarHBondContact OD1-NE 3.21Å; D408-R410 IonicContact OD1-NH2 2.78Å; D408-R410 PolarHBondContact OD1-NH2 2.81Å; D408-R410 IonicContact OD2-CZ 2.78Å; D408-R410 IonicContact OD2-NE 3.04Å; D408-R410 IonicContact OD2-NH2 2.65Å; D408-R410 PolarHBondContact OD2-NH2 3.3Å; D408-K411 PolarHBondContact O-N 3.21Å; D408-V456 HydrophobicContact CB-CG2 3.85Å
409	V	97.1	Very high	96.8	Very high	13 Å²	13	37.9 Å²	37.9	8%	0.079	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-3.5	-175.1	-50.7	0	0	0	0	113.2	F349 V359 A392 R393 L395 K411 F412	F349-V409 HydrophobicContact CE1-CG1 3.78Å; F349-V409 HydrophobicContact CZ-CG1 3.89Å; V359-V409 HydrophobicContact CG2-CB 4.29Å; V359-V409 HydrophobicContact CG2-CG1 3.95Å; A392-V409 WeakPolarHBondContact O-CG2 3.34Å; R393-V409 PolarHBondContact O-N 3.45Å; L395-V409 HydrophobicContact CD2-CG1 3.42Å; L395-V409 VanDerWaalsContact CD2-CG1 3.42Å; V409-K411 VanDerWaalsContact C-N 3.26Å; V409-F412 HydrophobicContact CB-CE1 4.21Å; V409-F412 WeakPolarHBondContact O-CE1 3.5Å; V409-F412 WeakPolarHBondContact O-CE2 3.35Å; V409-F412 WeakPolarHBondContact O-CZ 3.18Å
410	R	96	Very high	96.7	Very high	133 Å²	133	38.7 Å²	38.7	50%	0.502	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.8	169.7	-56.4	169	-69.8	-164.6	-2.2	112.4	E136 Y394 D408	E136-R410 IonicContact OE2-CZ 3.12Å; E136-R410 IonicContact OE2-NH1 2.67Å; E136-R410 PolarHBondContact OE2-NH1 3.2Å; E136-R410 IonicContact OE2-NH2 3.62Å; E136-R410 PolarHBondContact OE2-NH2 2.71Å; Y394-R410 PolarHBondContact OH-NH2 3.16Å; D408-R410 PolarHBondContact O-N 2.8Å; D408-R410 VanDerWaalsContact OD1-CB 3.27Å; D408-R410 WeakPolarHBondContact OD1-CB 3.49Å; D408-R410 WeakPolarHBondContact OD1-CG 3.37Å; D408-R410 IonicContact OD1-CZ 2.72Å; D408-R410 PolarHBondContact OD1-N 3.45Å; D408-R410 VanDerWaalsContact OD1-N 3.09Å; D408-R410 IonicContact OD1-NE 3.5Å; D408-R410 PolarHBondContact OD1-NE 3.21Å; D408-R410 IonicContact OD1-NH2 2.78Å; D408-R410 PolarHBondContact OD1-NH2 2.81Å; D408-R410 IonicContact OD2-CZ 2.78Å; D408-R410 IonicContact OD2-NE 3.04Å; D408-R410 IonicContact OD2-NH2 2.65Å; D408-R410 PolarHBondContact OD2-NH2 3.3Å
411	K	96.6	Very high	96.7	Very high	91 Å²	91	37.8 Å²	37.8	40%	0.396	19%	0.187	S	C	.	.	S	Bend	trans	-130.3	65.6	-176.2	-165.9	-179.3	177.4	168.4	0	111.4	E131 D408 V409 T454	E131-K411 IonicContact OE2-NZ 2.66Å; E131-K411 PolarHBondContact OE2-NZ 3.47Å; D408-K411 PolarHBondContact O-N 3.21Å; V409-K411 VanDerWaalsContact C-N 3.26Å; K411-T454 HydrophobicContact CG-CG2 4.2Å; K411-T454 WeakPolarHBondContact O-CB 3.48Å; K411-T454 PolarHBondContact O-OG1 2.73Å
412	F	98	Very high	96.8	Very high	72 Å²	72	41.4 Å²	41.4	32%	0.316	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-61.6	150.3	175.5	-59.9	-53.3	0	0	0	113.1	V359 V373 Q375 L376 V409	V359-F412 HydrophobicContact CB-CE1 3.93Å; V359-F412 HydrophobicContact CB-CZ 4.28Å; V359-F412 HydrophobicContact CG1-CE1 4.49Å; V359-F412 HydrophobicContact CG1-CZ 4.47Å; V359-F412 HydrophobicContact CG2-CE1 3.85Å; V373-F412 HydrophobicContact CG1-CE2 4.27Å; V373-F412 HydrophobicContact CG1-CZ 4.32Å; Q375-F412 WeakPolarHBondContact O-CA 3.17Å; Q375-F412 WeakPolarHBondContact O-CB 3.26Å; L376-F412 HydrophobicContact CD2-CD1 4.15Å; L376-F412 HydrophobicContact CG-CD1 4.38Å; V409-F412 HydrophobicContact CB-CE1 4.21Å; V409-F412 WeakPolarHBondContact O-CE1 3.5Å; V409-F412 WeakPolarHBondContact O-CE2 3.35Å; V409-F412 WeakPolarHBondContact O-CZ 3.18Å
413	S	98	Very high	96.8	Very high	13 Å²	13	45.8 Å²	45.8	9%	0.091	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-72.1	141.9	176.7	-73.1	0	0	0	0	112	Q375 A377 G452 T454	Q375-S413 PolarHBondContact O-N 3.03Å; A377-S413 WeakPolarHBondContact CB-OG 3.42Å; A377-S413 PolarHBondContact N-OG 2.93Å; A377-S413 PolarHBondContact O-OG 3.1Å; S413-G452 WeakPolarHBondContact CB-O 3.34Å; S413-G452 PolarHBondContact OG-O 3.49Å; S413-T454 PolarHBondContact OG-OG1 2.82Å
414	P	97.5	Very high	96.7	Very high	51 Å²	51	46.5 Å²	46.5	33%	0.331	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-75.9	168.7	173	36.8	-38.4	0	0	0	111	E416 G417 L418	P414-E416 VanDerWaalsContact C-N 3.29Å; P414-E416 WeakPolarHBondContact CB-OE1 3.3Å; P414-E416 WeakPolarHBondContact CB-OE2 3.3Å; P414-E416 VanDerWaalsContact CG-CD 3.5Å; P414-E416 HydrophobicContact CG-CG 4.14Å; P414-E416 WeakPolarHBondContact CG-OE1 3.18Å; P414-E416 PolarHBondContact O-N 2.95Å; P414-G417 WeakPolarHBondContact O-CA 3.03Å; P414-G417 PolarHBondContact O-N 3.18Å; P414-L418 PolarHBondContact O-N 3.16Å
415	K	96.6	Very high	96.3	Very high	177 Å²	177	48.2 Å²	48.2	77%	0.77	24%	0.24	S	C	*	.	H	α-helix	trans	-61.1	-35.1	-170.2	-68.7	-171.6	176.7	-173.2	0	113.4	G417 L418 A419	K415-G417 PolarHBondContact O-N 3.09Å; K415-L418 WeakPolarHBondContact O-CB 3.46Å; K415-L418 PolarHBondContact O-N 3.42Å; K415-A419 PolarHBondContact O-N 3.31Å
416	E	96.8	Very high	95.9	Very high	111 Å²	111	53.5 Å²	53.5	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-63.1	-25.9	174.2	62.9	-84	-164.5	0	0	113	P414 A420 T451	P414-E416 VanDerWaalsContact C-N 3.29Å; P414-E416 WeakPolarHBondContact CB-OE1 3.3Å; P414-E416 WeakPolarHBondContact CB-OE2 3.3Å; P414-E416 VanDerWaalsContact CG-CD 3.5Å; P414-E416 HydrophobicContact CG-CG 4.14Å; P414-E416 WeakPolarHBondContact CG-OE1 3.18Å; P414-E416 PolarHBondContact O-N 2.95Å; E416-A420 WeakPolarHBondContact O-CB 3.46Å; E416-A420 PolarHBondContact O-N 3.05Å; E416-T451 HydrophobicContact CG-CG2 4.19Å
417	G	96.2	Very high	95.4	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-76	-37	172.7	0	0	0	0	0	113.5	A377 P414 K415 A420 S421 T451	A377-G417 VanDerWaalsContact CB-C 3.47Å; A377-G417 WeakPolarHBondContact CB-O 3.47Å; P414-G417 WeakPolarHBondContact O-CA 3.03Å; P414-G417 PolarHBondContact O-N 3.18Å; K415-G417 PolarHBondContact O-N 3.09Å; G417-A420 PolarHBondContact O-N 3.1Å; G417-S421 WeakPolarHBondContact O-CB 3.36Å; G417-S421 PolarHBondContact O-N 2.96Å; G417-S421 PolarHBondContact O-OG 2.96Å; G417-T451 VanDerWaalsContact CA-O 3.24Å; G417-T451 WeakPolarHBondContact CA-O 3.17Å
418	L	96.8	Very high	94.7	Very high	27 Å²	27	62.6 Å²	62.6	14%	0.141	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-48.6	171.9	-51.6	174.6	0	0	0	109.9	L356 Q375 A377 P414 K415 A420 S421 R422	L356-L418 HydrophobicContact CD1-CD2 3.99Å; L356-L418 HydrophobicContact CD2-CD2 3.8Å; Q375-L418 HydrophobicContact CB-CD2 3.62Å; Q375-L418 HydrophobicContact CG-CD2 4.49Å; A377-L418 HydrophobicContact CB-CD2 3.87Å; P414-L418 PolarHBondContact O-N 3.16Å; K415-L418 WeakPolarHBondContact O-CB 3.46Å; K415-L418 PolarHBondContact O-N 3.42Å; L418-A420 PolarHBondContact O-N 2.91Å; L418-S421 PolarHBondContact O-N 3.06Å; L418-R422 WeakPolarHBondContact O-CG 3.11Å; L418-R422 PolarHBondContact O-N 2.88Å; L418-R422 VanDerWaalsContact O-N 3.12Å
419	A	96.6	Very high	94.1	Very high	60 Å²	60	69.2 Å²	69.2	50%	0.496	35%	0.35	S	S	.	.	H	α-helix	trans	-61.2	-42.6	176.3	0	0	0	0	0	112.4	K415 L423	K415-A419 PolarHBondContact O-N 3.31Å; A419-L423 VanDerWaalsContact O-CB 3.24Å; A419-L423 WeakPolarHBondContact O-CB 3.35Å; A419-L423 PolarHBondContact O-N 2.92Å
420	A	95.7	Very high	93.7	Very high	17 Å²	17	70 Å²	70	14%	0.14	35%	0.352	C	S	.	.	H	α-helix	trans	-66.5	-35.9	177.8	0	0	0	0	0	113.1	E416 G417 L418 L423 A424 L450	E416-A420 WeakPolarHBondContact O-CB 3.46Å; E416-A420 PolarHBondContact O-N 3.05Å; G417-A420 PolarHBondContact O-N 3.1Å; L418-A420 PolarHBondContact O-N 2.91Å; A420-L423 PolarHBondContact O-N 2.79Å; A420-A424 WeakPolarHBondContact O-CB 3.17Å; A420-A424 PolarHBondContact O-N 3.15Å; A420-L450 HydrophobicContact CB-CD2 4.13Å; A420-L450 HydrophobicContact CB-CG 3.98Å
421	S	95.2	Very high	93.2	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-68.2	-47.5	178.5	-53	0	0	0	0	111	A377 G378 G417 L418 L423 A424 V425	A377-S421 WeakPolarHBondContact CB-OG 3.34Å; G378-S421 PolarHBondContact N-OG 3.48Å; G417-S421 WeakPolarHBondContact O-CB 3.36Å; G417-S421 PolarHBondContact O-N 2.96Å; G417-S421 PolarHBondContact O-OG 2.96Å; L418-S421 PolarHBondContact O-N 3.06Å; S421-L423 VanDerWaalsContact C-N 3.33Å; S421-L423 PolarHBondContact O-N 3.13Å; S421-A424 WeakPolarHBondContact O-CA 3.36Å; S421-A424 WeakPolarHBondContact O-CB 3.45Å; S421-A424 PolarHBondContact O-N 3.39Å; S421-V425 WeakPolarHBondContact O-CG2 3.33Å; S421-V425 PolarHBondContact O-N 2.79Å
422	R	94.6	Very high	92.8	Very high	79 Å²	79	61.8 Å²	61.8	30%	0.298	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-36.4	174.4	-66.3	172.9	179.1	-156.8	-9.6	112.9	E332 L418 A424 V425 T426	E332-R422 IonicContact OE1-CZ 3.25Å; E332-R422 IonicContact OE1-NH1 2.67Å; E332-R422 PolarHBondContact OE1-NH1 2.98Å; E332-R422 IonicContact OE1-NH2 3.91Å; E332-R422 PolarHBondContact OE1-NH2 2.82Å; E332-R422 IonicContact OE2-CZ 2.75Å; E332-R422 IonicContact OE2-NE 2.76Å; E332-R422 IonicContact OE2-NH1 2.73Å; E332-R422 PolarHBondContact OE2-NH1 3.3Å; E332-R422 IonicContact OE2-NH2 3.06Å; E332-R422 PolarHBondContact OE2-NH2 2.85Å; E332-R422 VanDerWaalsContact OE2-NH2 3.17Å; L418-R422 WeakPolarHBondContact O-CG 3.11Å; L418-R422 PolarHBondContact O-N 2.88Å; L418-R422 VanDerWaalsContact O-N 3.12Å; R422-A424 VanDerWaalsContact C-N 3.29Å; R422-A424 PolarHBondContact O-N 2.94Å; R422-V425 PolarHBondContact O-N 3.43Å; R422-T426 WeakPolarHBondContact O-CG2 3.49Å; R422-T426 PolarHBondContact O-N 2.92Å; R422-T426 PolarHBondContact O-OG1 3.1Å
423	L	93.6	Very high	92.2	Very high	95 Å²	95	64.1 Å²	64.1	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-32.6	173.6	-174.6	61.9	0	0	0	111.7	A419 A420 S421 T426 Q427	A419-L423 VanDerWaalsContact O-CB 3.24Å; A419-L423 WeakPolarHBondContact O-CB 3.35Å; A419-L423 PolarHBondContact O-N 2.92Å; A420-L423 PolarHBondContact O-N 2.79Å; S421-L423 VanDerWaalsContact C-N 3.33Å; S421-L423 PolarHBondContact O-N 3.13Å; L423-T426 WeakPolarHBondContact CA-OG1 3.46Å; L423-T426 PolarHBondContact O-OG1 2.82Å; L423-Q427 HydrophobicContact CD1-CG 4.46Å; L423-Q427 VanDerWaalsContact O-CB 3.31Å; L423-Q427 WeakPolarHBondContact O-CB 3.09Å; L423-Q427 WeakPolarHBondContact O-CG 3.36Å; L423-Q427 PolarHBondContact O-N 3.28Å
424	A	91.9	Very high	91.5	Very high	14 Å²	14	70.4 Å²	70.4	12%	0.116	35%	0.349	C	S	.	.	H	α-helix	trans	-71.6	-40.5	174.2	0	0	0	0	0	112.1	R380 A420 S421 R422 Q427 Q428 L450	R380-A424 HydrophobicContact CB-CB 3.93Å; R380-A424 HydrophobicContact CG-CB 3.96Å; R380-A424 CarbonylContact O-C 3.54Å; A420-A424 WeakPolarHBondContact O-CB 3.17Å; A420-A424 PolarHBondContact O-N 3.15Å; S421-A424 WeakPolarHBondContact O-CA 3.36Å; S421-A424 WeakPolarHBondContact O-CB 3.45Å; S421-A424 PolarHBondContact O-N 3.39Å; R422-A424 VanDerWaalsContact C-N 3.29Å; R422-A424 PolarHBondContact O-N 2.94Å; A424-Q427 PolarHBondContact O-N 2.69Å; A424-Q428 WeakPolarHBondContact O-CG 3.38Å; A424-Q428 PolarHBondContact O-N 2.55Å; A424-Q428 PolarHBondContact O-NE2 2.89Å; A424-L450 HydrophobicContact CB-CD2 4.45Å
425	V	91.3	Very high	90.9	Very high	37 Å²	37	72 Å²	72	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-52.3	173.8	175.7	0	0	0	0	110.9	A355 R380 S421 R422 Q427 Q428	A355-V425 HydrophobicContact CB-CG2 3.38Å; R380-V425 PolarHBondContact O-N 2.84Å; S421-V425 WeakPolarHBondContact O-CG2 3.33Å; S421-V425 PolarHBondContact O-N 2.79Å; R422-V425 PolarHBondContact O-N 3.43Å; V425-Q427 PolarHBondContact O-N 3.43Å; V425-Q427 VanDerWaalsContact O-N 3.12Å; V425-Q428 WeakPolarHBondContact O-CB 3.38Å; V425-Q428 WeakPolarHBondContact O-CG 3.4Å; V425-Q428 PolarHBondContact O-N 3.04Å
426	T	90.4	Very high	90.2	Very high	112 Å²	112	68.6 Å²	68.6	69%	0.687	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-9.9	180	52.1	0	0	0	0	114.3	R422 L423	R422-T426 WeakPolarHBondContact O-CG2 3.49Å; R422-T426 PolarHBondContact O-N 2.92Å; R422-T426 PolarHBondContact O-OG1 3.1Å; L423-T426 WeakPolarHBondContact CA-OG1 3.46Å; L423-T426 PolarHBondContact O-OG1 2.82Å
427	Q	88.4	Confident	89.5	Confident	136 Å²	136	63.7 Å²	63.7	64%	0.636	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-2.6	171.1	-74.1	176.5	7.8	0	0	113.6	L423 A424 V425	L423-Q427 HydrophobicContact CD1-CG 4.46Å; L423-Q427 VanDerWaalsContact O-CB 3.31Å; L423-Q427 WeakPolarHBondContact O-CB 3.09Å; L423-Q427 WeakPolarHBondContact O-CG 3.36Å; L423-Q427 PolarHBondContact O-N 3.28Å; A424-Q427 PolarHBondContact O-N 2.69Å; V425-Q427 PolarHBondContact O-N 3.43Å; V425-Q427 VanDerWaalsContact O-N 3.12Å
428	Q	83.8	Confident	88.7	Confident	55 Å²	55	66.3 Å²	66.3	26%	0.257	33%	0.333	S	S	.	.			trans	-69.6	132.6	171	-60.1	-51.7	-18.8	0	0	110.5	R380 A424 V425	R380-Q428 PolarHBondContact O-NE2 3.36Å; A424-Q428 WeakPolarHBondContact O-CG 3.38Å; A424-Q428 PolarHBondContact O-N 2.55Å; A424-Q428 PolarHBondContact O-NE2 2.89Å; V425-Q428 WeakPolarHBondContact O-CB 3.38Å; V425-Q428 WeakPolarHBondContact O-CG 3.4Å; V425-Q428 PolarHBondContact O-N 3.04Å
429	N	85.4	Confident	87.5	Confident	161 Å²	161	71.9 Å²	71.9	86%	0.861	36%	0.359	S	S	*	.			trans	-128.8	51.2	172.9	-171.7	15.8	0	0	0	109
430	W	87.3	Confident	85.7	Confident	28 Å²	28	80.5 Å²	80.5	11%	0.106	38%	0.378	C	S	.	.			trans	-152.1	153.4	177.7	84.6	-63.6	0	0	0	109.8	D381 K400 V437 P438 F442 L465	D381-W430 PolarHBondContact OD2-NE1 2.98Å; K400-W430 WeakPolarHBondContact O-CZ2 3.2Å; W430-V437 HydrophobicContact CH2-CG2 4.13Å; W430-V437 HydrophobicContact CZ3-CB 4.44Å; W430-V437 HydrophobicContact CZ3-CG2 3.99Å; W430-P438 HydrophobicContact CB-CG 3.98Å; W430-P438 HydrophobicContact CD2-CG 4.31Å; W430-P438 HydrophobicContact CG-CG 4.05Å; W430-F442 AromaticContact CE2-CZ 3.92Å; W430-F442 AromaticContact CZ2-CE1 3.96Å; W430-F442 HydrophobicContact CZ2-CE1 3.96Å; W430-F442 AromaticContact CZ2-CZ 3.95Å; W430-F442 HydrophobicContact CZ2-CZ 3.95Å; W430-F442 AromaticContact NE1-CZ 3.73Å; W430-L465 HydrophobicContact CH2-CD2 3.97Å; W430-L465 HydrophobicContact CZ3-CD2 3.63Å
431	D	85.6	Confident	83.8	Confident	29 Å²	29	81.5 Å²	81.5	16%	0.155	39%	0.391	C	S	.	.			trans	-121.6	115.4	176	-165.7	-43.4	0	0	0	111.5	R433 W434 Q435	D431-R433 PolarHBondContact O-N 3.03Å; D431-R433 VanDerWaalsContact O-N 3.1Å; D431-R433 VanDerWaalsContact OD1-CB 3.23Å; D431-R433 WeakPolarHBondContact OD1-CB 3.49Å; D431-R433 WeakPolarHBondContact OD1-CG 3.5Å; D431-R433 IonicContact OD1-CZ 3.06Å; D431-R433 PolarHBondContact OD1-N 2.98Å; D431-R433 IonicContact OD1-NE 3.04Å; D431-R433 PolarHBondContact OD1-NE 2.83Å; D431-R433 IonicContact OD2-CZ 2.66Å; D431-R433 IonicContact OD2-NE 3.53Å; D431-R433 PolarHBondContact OD2-NE 2.94Å; D431-R433 VanDerWaalsContact OD2-NE 3.16Å; D431-R433 IonicContact OD2-NH2 3.26Å; D431-R433 PolarHBondContact OD2-NH2 2.78Å; D431-W434 HydrophobicContact CB-CZ2 4.12Å; D431-W434 PolarHBondContact O-N 2.91Å; D431-W434 WeakPolarHBondContact OD2-CZ2 3.35Å; D431-Q435 HydrophobicContact CB-CG 4.36Å; D431-Q435 VanDerWaalsContact N-OE1 3.15Å; D431-Q435 VanDerWaalsContact O-CB 3.24Å; D431-Q435 WeakPolarHBondContact O-CB 3.33Å; D431-Q435 PolarHBondContact O-N 3.1Å
432	Y	89.5	Confident	82.2	Confident	23 Å²	23	82 Å²	82	9%	0.09	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18	-178.8	87.2	-67.2	0	0	0	114.5	K400 L465 H466	K400-Y432 HydrophobicContact CD-CD1 3.61Å; K400-Y432 HydrophobicContact CD-CD2 4.45Å; K400-Y432 HydrophobicContact CD-CE1 3.79Å; K400-Y432 HydrophobicContact CD-CG 3.98Å; K400-Y432 HydrophobicContact CG-CD1 4.07Å; K400-Y432 HydrophobicContact CG-CD2 4.03Å; K400-Y432 HydrophobicContact CG-CE1 4.34Å; K400-Y432 HydrophobicContact CG-CE2 4.3Å; K400-Y432 HydrophobicContact CG-CG 3.92Å; Y432-L465 CarbonylContact O-C 3.55Å; Y432-L465 VanDerWaalsContact O-CA 3.26Å; Y432-L465 WeakPolarHBondContact O-CA 3.22Å; Y432-L465 WeakPolarHBondContact O-CD2 3.48Å; Y432-H466 PolarHBondContact O-N 2.82Å
433	R	85.7	Confident	80.5	Confident	121 Å²	121	80.5 Å²	80.5	46%	0.457	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-33.8	-176.6	-66.1	175.6	-75	-167.2	-0.7	113.2	D431 H466	D431-R433 PolarHBondContact O-N 3.03Å; D431-R433 VanDerWaalsContact O-N 3.1Å; D431-R433 VanDerWaalsContact OD1-CB 3.23Å; D431-R433 WeakPolarHBondContact OD1-CB 3.49Å; D431-R433 WeakPolarHBondContact OD1-CG 3.5Å; D431-R433 IonicContact OD1-CZ 3.06Å; D431-R433 PolarHBondContact OD1-N 2.98Å; D431-R433 IonicContact OD1-NE 3.04Å; D431-R433 PolarHBondContact OD1-NE 2.83Å; D431-R433 IonicContact OD2-CZ 2.66Å; D431-R433 IonicContact OD2-NE 3.53Å; D431-R433 PolarHBondContact OD2-NE 2.94Å; D431-R433 VanDerWaalsContact OD2-NE 3.16Å; D431-R433 IonicContact OD2-NH2 3.26Å; D431-R433 PolarHBondContact OD2-NH2 2.78Å; R433-H466 PolarHBondContact O-ND1 3Å
434	W	82.1	Confident	78.7	Confident	146 Å²	146	79.2 Å²	79.2	55%	0.553	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142	-9.6	-173.3	48.7	77.3	0	0	0	115	D431	D431-W434 HydrophobicContact CB-CZ2 4.12Å; D431-W434 PolarHBondContact O-N 2.91Å; D431-W434 WeakPolarHBondContact OD2-CZ2 3.35Å
435	Q	85.2	Confident	77.3	Confident	84 Å²	84	83.8 Å²	83.8	39%	0.393	42%	0.423	S	S	.	.	S	Bend	trans	-100	155	178.9	-53.4	-173	-5.9	0	0	112.6	D431 L465	D431-Q435 HydrophobicContact CB-CG 4.36Å; D431-Q435 VanDerWaalsContact N-OE1 3.15Å; D431-Q435 VanDerWaalsContact O-CB 3.24Å; D431-Q435 WeakPolarHBondContact O-CB 3.33Å; D431-Q435 PolarHBondContact O-N 3.1Å; Q435-L465 WeakPolarHBondContact O-CD2 3.34Å
436	Q	82.3	Confident	75.9	Confident	105 Å²	105	82.5 Å²	82.5	49%	0.491	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-76.1	145.3	172.7	-68.4	-169.9	-11.7	0	0	111.7	L115 P438	L115-Q436 HydrophobicContact CD2-CG 3.75Å; Q436-P438 WeakPolarHBondContact O-CD 3.34Å
437	V	81.9	Confident	74.7	Confident	9 Å²	9	85.3 Å²	85.3	6%	0.055	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-58.8	123.3	176.7	-175.2	0	0	0	0	111.1	Y119 Q402 W430 Q439 F442 L465	Y119-V437 HydrophobicContact CD2-CB 4.47Å; Y119-V437 HydrophobicContact CE1-CB 4.49Å; Y119-V437 HydrophobicContact CE1-CG2 3.84Å; Y119-V437 HydrophobicContact CE2-CB 3.71Å; Y119-V437 HydrophobicContact CE2-CG1 4.28Å; Y119-V437 HydrophobicContact CE2-CG2 3.96Å; Q402-V437 HydrophobicContact CG-CG1 4.07Å; Q402-V437 HydrophobicContact CG-CG2 4.27Å; W430-V437 HydrophobicContact CH2-CG2 4.13Å; W430-V437 HydrophobicContact CZ3-CB 4.44Å; W430-V437 HydrophobicContact CZ3-CG2 3.99Å; V437-Q439 PolarHBondContact O-N 2.75Å; V437-F442 HydrophobicContact CG1-CD1 3.46Å; V437-F442 VanDerWaalsContact CG1-CD1 3.46Å; V437-F442 HydrophobicContact CG1-CE1 3.89Å; V437-L465 HydrophobicContact CG2-CD1 4.28Å; V437-L465 HydrophobicContact CG2-CD2 3.76Å; V437-L465 HydrophobicContact CG2-CG 4.2Å
438	P	79.8	Confident	74.2	Confident	54 Å²	54	85.7 Å²	85.7	35%	0.351	42%	0.418	S	S	.	.			trans	-63.3	107.2	-174.8	-25.8	35.1	0	0	0	114	W430 Q436 R440 F442	W430-P438 HydrophobicContact CB-CG 3.98Å; W430-P438 HydrophobicContact CD2-CG 4.31Å; W430-P438 HydrophobicContact CG-CG 4.05Å; Q436-P438 WeakPolarHBondContact O-CD 3.34Å; P438-R440 PolarHBondContact O-N 3.36Å; P438-F442 HydrophobicContact CB-CB 4.42Å; P438-F442 WeakPolarHBondContact O-CB 3.5Å; P438-F442 PolarHBondContact O-N 2.56Å
439	Q	70.3	Confident	74.4	Confident	144 Å²	144	86.8 Å²	86.8	67%	0.673	42%	0.422	S	S	*	.	H	α-helix	trans	-63.5	-47.9	-168.1	-64.1	-175.5	-1	0	0	115	V437	V437-Q439 PolarHBondContact O-N 2.75Å
440	R	58.8	Low	74.7	Confident	241 Å²	241	80.6 Å²	80.6	91%	0.909	39%	0.389	S	S	*	.	H	α-helix	trans	-80.4	-38.7	-164.9	-67.5	-175.8	-179.2	174.5	1.1	114.7	P438	P438-R440 PolarHBondContact O-N 3.36Å
441	G	57.6	Low	75	Confident	39 Å²	39	83.7 Å²	83.7	40%	0.402	41%	0.411	S	S	.	.	H	α-helix	trans	-86	-44.2	179	0	0	0	0	0	113.2	A443 A444 L445	G441-A443 VanDerWaalsContact C-N 3.33Å; G441-A443 PolarHBondContact O-N 3.15Å; G441-A444 PolarHBondContact O-N 2.81Å; G441-A444 VanDerWaalsContact O-N 3.11Å; G441-L445 WeakPolarHBondContact O-CG 3.09Å; G441-L445 PolarHBondContact O-N 2.93Å
442	F	61.4	Low	75.4	Confident	9 Å²	9	83.3 Å²	83.3	4%	0.039	41%	0.414	C	S	.	.	H	α-helix	trans	-70	-28.5	-167.3	-143.4	-138.6	0	0	0	112.8	Q402 W430 V437 P438 K446	Q402-F442 HydrophobicContact CG-CE1 4.1Å; W430-F442 AromaticContact CE2-CZ 3.92Å; W430-F442 AromaticContact CZ2-CE1 3.96Å; W430-F442 HydrophobicContact CZ2-CE1 3.96Å; W430-F442 AromaticContact CZ2-CZ 3.95Å; W430-F442 HydrophobicContact CZ2-CZ 3.95Å; W430-F442 AromaticContact NE1-CZ 3.73Å; V437-F442 HydrophobicContact CG1-CD1 3.46Å; V437-F442 VanDerWaalsContact CG1-CD1 3.46Å; V437-F442 HydrophobicContact CG1-CE1 3.89Å; P438-F442 HydrophobicContact CB-CB 4.42Å; P438-F442 WeakPolarHBondContact O-CB 3.5Å; P438-F442 PolarHBondContact O-N 2.56Å; F442-K446 VanDerWaalsContact O-CD 3.25Å; F442-K446 WeakPolarHBondContact O-CD 3.43Å; F442-K446 WeakPolarHBondContact O-CE 3.38Å; F442-K446 WeakPolarHBondContact O-CG 3.28Å
443	A	58.9	Low	75.7	Confident	49 Å²	49	83 Å²	83	41%	0.405	41%	0.413	S	S	.	.	H	α-helix	trans	-70.9	-35.8	172.7	0	0	0	0	0	112.9	G441	G441-A443 VanDerWaalsContact C-N 3.33Å; G441-A443 PolarHBondContact O-N 3.15Å
444	A	55.8	Low	76.3	Confident	67 Å²	67	78 Å²	78	55%	0.554	40%	0.397	S	S	*	.	H	α-helix	trans	-73.2	-45.6	178	0	0	0	0	0	111.5	G441 K446 K447	G441-A444 PolarHBondContact O-N 2.81Å; G441-A444 VanDerWaalsContact O-N 3.11Å; A444-K446 PolarHBondContact O-N 2.68Å; A444-K446 VanDerWaalsContact O-N 3.11Å; A444-K447 PolarHBondContact O-N 2.85Å
445	L	61.5	Low	77	Confident	110 Å²	110	71.1 Å²	71.1	58%	0.576	37%	0.371	S	S	*	.	H	α-helix	trans	-59.8	-22.4	-179.8	-72.8	167.1	0	0	0	114.1	R380 G441	R380-L445 VanDerWaalsContact CZ-O 3.3Å; R380-L445 PolarHBondContact NE-O 3.03Å; R380-L445 PolarHBondContact NH2-O 3.09Å; G441-L445 WeakPolarHBondContact O-CG 3.09Å; G441-L445 PolarHBondContact O-N 2.93Å
446	K	63.1	Low	77.6	Confident	10 Å²	10	67.5 Å²	67.5	4%	0.043	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-15.4	-176	-75.2	174.3	-160.7	-169.7	0	115.3	D401 F442 A444 H448 R460	D401-K446 WeakPolarHBondContact O-CE 3.24Å; D401-K446 PolarHBondContact O-NZ 2.68Å; F442-K446 VanDerWaalsContact O-CD 3.25Å; F442-K446 WeakPolarHBondContact O-CD 3.43Å; F442-K446 WeakPolarHBondContact O-CE 3.38Å; F442-K446 WeakPolarHBondContact O-CG 3.28Å; A444-K446 PolarHBondContact O-N 2.68Å; A444-K446 VanDerWaalsContact O-N 3.11Å; K446-H448 PolarHBondContact O-N 3.03Å; K446-R460 PolarHBondContact O-NH1 2.78Å; K446-R460 PolarHBondContact O-NH2 3.5Å
447	K	64.8	Low	78.3	Confident	171 Å²	171	62.6 Å²	62.6	74%	0.743	33%	0.332	S	S	*	.	S	Bend	trans	-65.8	-18.8	-176.2	-79.4	-162.5	171.4	-168.1	0	114.8	A444	A444-K447 PolarHBondContact O-N 2.85Å
448	H	76.7	Confident	79	Confident	145 Å²	145	63 Å²	63	67%	0.671	33%	0.334	S	S	*	.	S	Bend	trans	-119.3	143.7	178.1	-61.7	-69	0	0	0	111.2	R380 K446	R380-H448 PolarHBondContact NH2-O 3.49Å; K446-H448 PolarHBondContact O-N 3.03Å
449	K	89.1	Confident	79.8	Confident	78 Å²	78	60.5 Å²	60.5	34%	0.339	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-54.9	148.3	166.1	-71.9	-168.2	-175.1	-177.8	0	109.9	D453 S455	K449-D453 WeakPolarHBondContact CA-OD2 3.39Å; K449-D453 HydrophobicContact CB-CB 3.94Å; K449-D453 WeakPolarHBondContact CB-OD2 3.41Å; K449-S455 PolarHBondContact NZ-O 2.83Å
450	L	91.9	Very high	81	Confident	31 Å²	31	55 Å²	55	16%	0.162	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-71.4	162.8	176.7	-160.5	59	0	0	0	109.9	R380 A420 A424 G452 D453	R380-L450 HydrophobicContact CG-CD1 4.44Å; R380-L450 HydrophobicContact CG-CD2 4.41Å; A420-L450 HydrophobicContact CB-CD2 4.13Å; A420-L450 HydrophobicContact CB-CG 3.98Å; A424-L450 HydrophobicContact CB-CD2 4.45Å; L450-G452 PolarHBondContact O-N 3.38Å; L450-D453 HydrophobicContact CB-CB 4.03Å; L450-D453 PolarHBondContact N-OD2 3.38Å; L450-D453 VanDerWaalsContact N-OD2 3.17Å; L450-D453 WeakPolarHBondContact O-CB 3.1Å; L450-D453 PolarHBondContact O-N 2.82Å; L450-D453 VanDerWaalsContact O-N 3.12Å
451	T	93.8	Very high	82.5	Confident	92 Å²	92	43.7 Å²	43.7	56%	0.564	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	131.6	167.1	-53.9	0	0	0	0	109.1	E416 G417 D453	E416-T451 HydrophobicContact CG-CG2 4.19Å; G417-T451 VanDerWaalsContact CA-O 3.24Å; G417-T451 WeakPolarHBondContact CA-O 3.17Å; T451-D453 PolarHBondContact O-N 2.84Å
452	G	93.8	Very high	84.3	Confident	21 Å²	21	41.8 Å²	41.8	22%	0.216	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	11	-178.7	0	0	0	0	0	116.3	S413 L450 T454	S413-G452 WeakPolarHBondContact CB-O 3.34Å; S413-G452 PolarHBondContact OG-O 3.49Å; L450-G452 PolarHBondContact O-N 3.38Å; G452-T454 PolarHBondContact O-N 3.26Å
453	D	96.1	Very high	85.8	Confident	16 Å²	16	41.4 Å²	41.4	9%	0.086	23%	0.228	C	C	.	.			trans	-71.8	104.1	175.9	179.2	-7.3	0	0	0	111.4	A377 K405 K449 L450 T451 S455	A377-D453 WeakPolarHBondContact O-CA 3.29Å; K405-D453 IonicContact NZ-OD1 2.74Å; K405-D453 PolarHBondContact NZ-OD1 3.33Å; K405-D453 IonicContact NZ-OD2 3.64Å; K405-D453 PolarHBondContact NZ-OD2 3.2Å; K449-D453 WeakPolarHBondContact CA-OD2 3.39Å; K449-D453 HydrophobicContact CB-CB 3.94Å; K449-D453 WeakPolarHBondContact CB-OD2 3.41Å; L450-D453 HydrophobicContact CB-CB 4.03Å; L450-D453 PolarHBondContact N-OD2 3.38Å; L450-D453 VanDerWaalsContact N-OD2 3.17Å; L450-D453 WeakPolarHBondContact O-CB 3.1Å; L450-D453 PolarHBondContact O-N 2.82Å; L450-D453 VanDerWaalsContact O-N 3.12Å; T451-D453 PolarHBondContact O-N 2.84Å; D453-S455 VanDerWaalsContact OD1-CB 3.29Å; D453-S455 WeakPolarHBondContact OD1-CB 3.48Å; D453-S455 PolarHBondContact OD1-N 3.27Å; D453-S455 VanDerWaalsContact OD1-N 3.15Å; D453-S455 PolarHBondContact OD1-OG 3.45Å
454	T	96.9	Very high	87.5	Confident	18 Å²	18	39 Å²	39	11%	0.11	21%	0.209	C	C	.	.			trans	-91.6	7.2	-177.8	59.9	0	0	0	0	114.1	K411 S413 G452 V456	K411-T454 HydrophobicContact CG-CG2 4.2Å; K411-T454 WeakPolarHBondContact O-CB 3.48Å; K411-T454 PolarHBondContact O-OG1 2.73Å; S413-T454 PolarHBondContact OG-OG1 2.82Å; G452-T454 PolarHBondContact O-N 3.26Å; T454-V456 PolarHBondContact O-N 3.2Å
455	S	97.4	Very high	89.2	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.			trans	-57.5	133.1	-178.7	60.5	0	0	0	0	111.8	K405 L406 K449 D453 M457 T458	K405-S455 PolarHBondContact NZ-OG 3.17Å; L406-S455 CarbonylContact O-C 3.38Å; L406-S455 WeakPolarHBondContact O-CA 3.18Å; K449-S455 PolarHBondContact NZ-O 2.83Å; D453-S455 VanDerWaalsContact OD1-CB 3.29Å; D453-S455 WeakPolarHBondContact OD1-CB 3.48Å; D453-S455 PolarHBondContact OD1-N 3.27Å; D453-S455 VanDerWaalsContact OD1-N 3.15Å; D453-S455 PolarHBondContact OD1-OG 3.45Å; S455-M457 VanDerWaalsContact C-N 3.33Å; S455-T458 PolarHBondContact OG-OG1 2.63Å
456	V	97.8	Very high	90.5	Very high	8 Å²	8	31.4 Å²	31.4	5%	0.048	16%	0.159	C	C	.	.	S	Bend	trans	-68.7	-38.1	177.3	-176.6	0	0	0	0	109.8	E131 V132 Y394 L406 D408 T454	E131-V456 HydrophobicContact CB-CG1 4.31Å; E131-V456 WeakPolarHBondContact CB-O 3.46Å; V132-V456 HydrophobicContact CB-CG1 3.94Å; V132-V456 HydrophobicContact CG2-CG1 4.45Å; Y394-V456 HydrophobicContact CE1-CG2 4.48Å; L406-V456 HydrophobicContact CD2-CB 4.07Å; L406-V456 HydrophobicContact CD2-CG1 4.11Å; L406-V456 HydrophobicContact CG-CB 4.1Å; L406-V456 PolarHBondContact O-N 3.27Å; D408-V456 HydrophobicContact CB-CG2 3.85Å; T454-V456 PolarHBondContact O-N 3.2Å
457	M	96.9	Very high	91.9	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.9	178.8	-157.1	59.6	-179.1	0	0	111	P127 T129 V132 K405 L406 S455 Y459	P127-M457 HydrophobicContact CB-CE 3.46Å; P127-M457 VanDerWaalsContact CB-CE 3.46Å; T129-M457 HydrophobicContact CG2-CE 3.83Å; V132-M457 HydrophobicContact CG1-SD 3.86Å; K405-M457 WeakPolarHBondContact CA-O 3.26Å; L406-M457 HydrophobicContact CB-CB 4.04Å; L406-M457 HydrophobicContact CD2-CB 4.12Å; L406-M457 PolarHBondContact N-O 3.23Å; S455-M457 VanDerWaalsContact C-N 3.33Å; M457-Y459 HydrophobicContact CB-CE1 4.49Å; M457-Y459 HydrophobicContact CB-CE2 3.79Å; M457-Y459 WeakPolarHBondContact CB-OH 3.32Å; M457-Y459 HydrophobicContact CG-CD1 4.47Å; M457-Y459 HydrophobicContact CG-CE1 3.79Å; M457-Y459 HydrophobicContact CG-CE2 3.91Å; M457-Y459 VanDerWaalsContact CG-CZ 3.45Å; M457-Y459 WeakPolarHBondContact CG-OH 3.45Å
458	T	96.6	Very high	93.4	Very high	17 Å²	17	23.5 Å²	23.5	10%	0.104	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.8	171.3	-57.8	0	0	0	0	109.5	I404 K405 S455	I404-T458 CarbonylContact O-C 3.58Å; I404-T458 WeakPolarHBondContact O-CA 3.42Å; K405-T458 HydrophobicContact CG-CG2 4.1Å; K405-T458 PolarHBondContact NZ-OG1 2.81Å; S455-T458 PolarHBondContact OG-OG1 2.63Å
459	Y	96.7	Very high	94.4	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.1	-173.5	-50.2	-93.6	0	0	0	110.2	S403 I404 L406 M457 I484 Y496 V498	S403-Y459 VanDerWaalsContact CA-O 3.32Å; S403-Y459 WeakPolarHBondContact CA-O 3.35Å; S403-Y459 WeakPolarHBondContact CB-O 3.43Å; I404-Y459 HydrophobicContact CB-CD2 4.33Å; I404-Y459 HydrophobicContact CG2-CD2 4.14Å; I404-Y459 PolarHBondContact N-O 2.87Å; I404-Y459 WeakPolarHBondContact O-CD2 3.48Å; I404-Y459 PolarHBondContact O-N 2.91Å; L406-Y459 HydrophobicContact CB-CE2 3.94Å; M457-Y459 HydrophobicContact CB-CE1 4.49Å; M457-Y459 HydrophobicContact CB-CE2 3.79Å; M457-Y459 WeakPolarHBondContact CB-OH 3.32Å; M457-Y459 HydrophobicContact CG-CD1 4.47Å; M457-Y459 HydrophobicContact CG-CE1 3.79Å; M457-Y459 HydrophobicContact CG-CE2 3.91Å; M457-Y459 VanDerWaalsContact CG-CZ 3.45Å; M457-Y459 WeakPolarHBondContact CG-OH 3.45Å; Y459-I484 HydrophobicContact CD2-CD1 3.91Å; Y459-I484 HydrophobicContact CE1-CD1 4.09Å; Y459-I484 HydrophobicContact CE2-CD1 3.39Å; Y459-I484 HydrophobicContact CG-CD1 4.48Å; Y459-I484 VanDerWaalsContact CZ-CD1 3.5Å; Y459-Y496 HydrophobicContact CD1-CD1 4.05Å; Y459-Y496 HydrophobicContact CD1-CG 4.13Å; Y459-Y496 HydrophobicContact CG-CD1 4.32Å; Y459-Y496 HydrophobicContact CG-CG 4.39Å; Y459-V498 PolarHBondContact OH-O 3.29Å
460	R	94.8	Very high	94.9	Very high	28 Å²	28	13.1 Å²	13.1	11%	0.106	8%	0.078	C	C	.	.			trans	-143.5	152.2	-174.5	-61.3	-171.6	-180	113.8	-5.4	112.6	P122 D124 K446 Y496	P122-R460 WeakPolarHBondContact O-CB 3.47Å; D124-R460 IonicContact OD2-NH1 2.76Å; K446-R460 PolarHBondContact O-NH1 2.78Å; K446-R460 PolarHBondContact O-NH2 3.5Å; R460-Y496 WeakPolarHBondContact O-CE1 3.46Å; R460-Y496 PolarHBondContact O-OH 3.22Å
461	G	92.1	Very high	95.2	Very high	4 Å²	4	11.7 Å²	11.7	4%	0.041	7%	0.07	C	C	.	.	S	Bend	trans	123.2	5.2	-177.8	0	0	0	0	0	115.4	P122 Y496	P122-G461 PolarHBondContact O-N 2.63Å; G461-Y496 PolarHBondContact N-OH 2.87Å
462	H	94.6	Very high	95.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-105	163.9	157.2	70.2	-83.9	0	0	0	108.4	P121 N398 V464 C488 V494 Y496	P121-H462 VanDerWaalsContact CB-C 3.41Å; P121-H462 WeakPolarHBondContact CB-O 3.23Å; N398-H462 PolarHBondContact OD1-NE2 2.67Å; N398-H462 VanDerWaalsContact OD1-NE2 3.1Å; H462-V464 WeakPolarHBondContact NE2-CG2 3.32Å; H462-C488 HydrophobicContact CB-CB 4.28Å; H462-V494 HydrophobicContact CB-CB 4.09Å; H462-V494 HydrophobicContact CB-CG2 3.75Å; H462-Y496 PolarHBondContact N-OH 3.39Å; H462-Y496 VanDerWaalsContact N-OH 3.14Å; H462-Y496 AromaticContact ND1-CZ 3.81Å; H462-Y496 PolarHBondContact ND1-OH 3.41Å
463	G	93.1	Very high	95.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.			trans	-114.8	143	174.9	0	0	0	0	0	111.4	Q402 I469 C488 S489	Q402-G463 VanDerWaalsContact OE1-CA 3.28Å; G463-I469 WeakPolarHBondContact O-CD1 3.4Å; G463-C488 PolarHBondContact N-SG 3.42Å; G463-S489 PolarHBondContact O-N 3.14Å; G463-S489 PolarHBondContact O-OG 2.8Å
464	V	93.8	Very high	95.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.			trans	-120.1	96.3	179.8	-176.4	0	0	0	0	108.2	T384 S399 Q402 H462	T384-V464 HydrophobicContact CG2-CG1 3.79Å; S399-V464 WeakPolarHBondContact O-CG2 3.4Å; Q402-V464 PolarHBondContact NE2-O 3.06Å; H462-V464 WeakPolarHBondContact NE2-CG2 3.32Å
465	L	92.1	Very high	95.8	Very high	3 Å²	3	7.3 Å²	7.3	2%	0.016	4%	0.036	C	C	.	.			trans	-137.8	160.2	178.5	-65	174.1	0	0	0	109.1	W430 Y432 Q435 V437 T467	W430-L465 HydrophobicContact CH2-CD2 3.97Å; W430-L465 HydrophobicContact CZ3-CD2 3.63Å; Y432-L465 CarbonylContact O-C 3.55Å; Y432-L465 VanDerWaalsContact O-CA 3.26Å; Y432-L465 WeakPolarHBondContact O-CA 3.22Å; Y432-L465 WeakPolarHBondContact O-CD2 3.48Å; Q435-L465 WeakPolarHBondContact O-CD2 3.34Å; V437-L465 HydrophobicContact CG2-CD1 4.28Å; V437-L465 HydrophobicContact CG2-CD2 3.76Å; V437-L465 HydrophobicContact CG2-CG 4.2Å; L465-T467 PolarHBondContact O-N 3.49Å
466	H	88.6	Confident	95.7	Very high	13 Å²	13	13.2 Å²	13.2	6%	0.06	6%	0.064	C	C	.	.	S	Bend	trans	65.2	-28.1	174.3	-47.4	-71	0	0	0	116.3	W111 Y432 R433 W531	W111-H466 AromaticContact CE2-CD2 3.69Å; W111-H466 AromaticContact CE2-CG 3.86Å; W111-H466 HydrophobicContact CZ2-CB 4.47Å; W111-H466 AromaticContact CZ2-CD2 3.29Å; W111-H466 WeakPolarHBondContact CZ2-CD2 3.45Å; W111-H466 AromaticContact CZ2-CG 3.88Å; W111-H466 AromaticContact CZ2-NE2 3.78Å; W111-H466 AromaticContact NE1-CD2 3.63Å; W111-H466 AromaticContact NE1-CG 3.3Å; W111-H466 VanDerWaalsContact NE1-CG 3.3Å; W111-H466 AromaticContact NE1-ND1 3.59Å; Y432-H466 PolarHBondContact O-N 2.82Å; R433-H466 PolarHBondContact O-ND1 3Å; H466-W531 HydrophobicContact CB-CE3 4.39Å; H466-W531 HydrophobicContact CB-CH2 3.93Å; H466-W531 HydrophobicContact CB-CZ3 3.69Å; H466-W531 WeakPolarHBondContact O-CH2 3.02Å
467	T	93.5	Very high	95.6	Very high	5 Å²	5	17 Å²	17	3%	0.031	8%	0.08	C	C	.	.	S	Bend	trans	-159.1	166.4	-172.9	-155	0	0	0	0	113.5	L465 I469 R515 W531	L465-T467 PolarHBondContact O-N 3.49Å; T467-I469 VanDerWaalsContact C-N 3.35Å; T467-I469 HydrophobicContact CG2-CG1 3.82Å; T467-I469 PolarHBondContact O-N 3.26Å; T467-R515 HydrophobicContact CG2-CB 3.9Å; T467-R515 HydrophobicContact CG2-CG 3.8Å; T467-R515 PolarHBondContact OG1-NH1 3.3Å; T467-W531 VanDerWaalsContact CB-CZ2 3.46Å; T467-W531 HydrophobicContact CG2-CZ2 4.07Å
468	L	95.9	Very high	95.4	Very high	10 Å²	10	16.9 Å²	16.9	5%	0.052	8%	0.079	C	C	.	.			trans	-70.3	87.3	172.5	-49.2	175.6	0	0	0	109.9	F294 N336 T384 R515	F294-L468 HydrophobicContact CB-CD1 4.07Å; F294-L468 HydrophobicContact CD1-CD1 3.94Å; F294-L468 HydrophobicContact CG-CD1 4.07Å; N336-L468 HydrophobicContact CB-CD1 3.96Å; N336-L468 HydrophobicContact CB-CD2 4.15Å; N336-L468 VanDerWaalsContact OD1-CD1 3.27Å; N336-L468 WeakPolarHBondContact OD1-CD1 3.45Å; N336-L468 WeakPolarHBondContact OD1-CD2 3.43Å; T384-L468 HydrophobicContact CG2-CD2 3.92Å; L468-R515 PolarHBondContact O-NH1 3.18Å
469	I	97.6	Very high	95.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.			trans	-75.7	136.7	179.2	-61.6	-173.3	0	0	0	110.4	T384 N398 G463 T467 G487 C513	T384-I469 PolarHBondContact OG1-O 2.8Å; N398-I469 PolarHBondContact ND2-O 2.97Å; G463-I469 WeakPolarHBondContact O-CD1 3.4Å; T467-I469 VanDerWaalsContact C-N 3.35Å; T467-I469 HydrophobicContact CG2-CG1 3.82Å; T467-I469 PolarHBondContact O-N 3.26Å; I469-G487 VanDerWaalsContact CG2-C 3.45Å; I469-G487 WeakPolarHBondContact CG2-O 3.48Å; I469-C513 VanDerWaalsContact CD1-SG 3.51Å
470	R	98.3	Very high	95.2	Very high	6 Å²	6	16.2 Å²	16.2	2%	0.023	8%	0.076	C	C	.	.			trans	-96.8	139.6	-173	-57.4	-176.5	175.2	175.8	-10.6	112.5	L247 D248 F385 S486 G487 R515 D516	L247-R470 PolarHBondContact O-NH2 2.83Å; D248-R470 IonicContact OD1-CZ 3.88Å; D248-R470 IonicContact OD1-NH1 2.96Å; D248-R470 PolarHBondContact OD1-NH1 3.24Å; D248-R470 IonicContact OD1-NH2 2.94Å; D248-R470 PolarHBondContact OD1-NH2 2.9Å; D248-R470 IonicContact OD2-NH2 2.68Å; F385-R470 HydrophobicContact CB-CB 4.41Å; F385-R470 HydrophobicContact CB-CG 4.29Å; F385-R470 HydrophobicContact CD1-CB 3.77Å; F385-R470 HydrophobicContact CD1-CG 4.05Å; F385-R470 HydrophobicContact CD2-CB 4.35Å; F385-R470 HydrophobicContact CD2-CG 3.69Å; F385-R470 HydrophobicContact CE1-CB 4.07Å; F385-R470 HydrophobicContact CE1-CG 4.29Å; F385-R470 HydrophobicContact CE2-CG 3.98Å; F385-R470 HydrophobicContact CG-CB 3.91Å; F385-R470 HydrophobicContact CG-CG 3.73Å; F385-R470 HydrophobicContact CZ-CG 4.27Å; R470-S486 WeakPolarHBondContact O-CA 3.37Å; R470-S486 PolarHBondContact O-OG 3.07Å; R470-G487 PolarHBondContact O-N 3.12Å; R470-R515 PolarHBondContact N-O 2.66Å; R470-D516 VanDerWaalsContact CD-CG 3.48Å; R470-D516 WeakPolarHBondContact CD-OD1 3.23Å; R470-D516 IonicContact CZ-OD2 2.73Å; R470-D516 IonicContact NH1-OD2 2.68Å; R470-D516 PolarHBondContact NH1-OD2 3.17Å
471	C	98.6	Very high	95.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.1	167.8	71.5	0	0	0	0	110.4	F385 I396 N398 I404 Y485	F385-C471 WeakPolarHBondContact CD1-O 3.24Å; I396-C471 HydrophobicContact CD1-CB 4.27Å; N398-C471 HydrophobicContact CB-CB 4.23Å; I404-C471 HydrophobicContact CD1-CB 3.56Å; I404-C471 HydrophobicContact CG1-CB 3.93Å; C471-Y485 CarbonylContact C-O 3.57Å; C471-Y485 VanDerWaalsContact CA-O 3.25Å; C471-Y485 WeakPolarHBondContact CA-O 3.34Å
472	R	98.8	Very high	95.6	Very high	29 Å²	29	18.7 Å²	18.7	11%	0.109	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	154.7	179.3	-50.4	-170.9	-174.9	-98.6	0.8	110.9	H387 I484 Y485 D516 V517	H387-R472 VanDerWaalsContact CD2-CG 3.48Å; H387-R472 WeakPolarHBondContact CD2-CG 3.26Å; R472-I484 WeakPolarHBondContact O-CA 3.48Å; R472-Y485 HydrophobicContact CB-CD1 4.46Å; R472-Y485 HydrophobicContact CB-CE1 3.82Å; R472-Y485 HydrophobicContact CB-CE2 4.02Å; R472-Y485 WeakPolarHBondContact CD-OH 3.43Å; R472-Y485 HydrophobicContact CG-CE2 4.31Å; R472-Y485 PolarHBondContact N-O 2.81Å; R472-Y485 WeakPolarHBondContact O-CD1 3.36Å; R472-Y485 PolarHBondContact O-N 3.14Å; R472-D516 IonicContact CZ-OD1 3.55Å; R472-D516 IonicContact NE-OD1 3.52Å; R472-D516 PolarHBondContact NE-OD1 2.66Å; R472-D516 IonicContact NH2-OD1 2.76Å; R472-D516 PolarHBondContact NH2-OD1 3.1Å; R472-D516 IonicContact NH2-OD2 3.29Å; R472-D516 PolarHBondContact NH2-OD2 2.63Å; R472-V517 WeakPolarHBondContact CD-O 3.42Å; R472-V517 PolarHBondContact NE-O 2.8Å; R472-V517 VanDerWaalsContact NE-O 3.08Å
473	F	98.8	Very high	95.8	Very high	7 Å²	7	19 Å²	19	3%	0.031	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	144.1	163.7	-75.5	-82.7	0	0	0	109.7	I137 S388 K389 I396 L406 I484 Y485 V498	I137-F473 HydrophobicContact CD1-CE1 4.2Å; I137-F473 HydrophobicContact CD1-CZ 4.49Å; S388-F473 WeakPolarHBondContact O-CD2 3.29Å; K389-F473 HydrophobicContact CB-CD2 4.12Å; K389-F473 HydrophobicContact CB-CE2 3.64Å; K389-F473 HydrophobicContact CB-CZ 3.91Å; K389-F473 HydrophobicContact CD-CZ 4.41Å; K389-F473 HydrophobicContact CG-CE1 4.45Å; K389-F473 HydrophobicContact CG-CE2 4.26Å; K389-F473 HydrophobicContact CG-CZ 4.2Å; I396-F473 HydrophobicContact CB-CE2 4.34Å; I396-F473 HydrophobicContact CD1-CD2 4.12Å; I396-F473 HydrophobicContact CD1-CE2 4.33Å; I396-F473 HydrophobicContact CD1-CG 4.46Å; I396-F473 HydrophobicContact CG1-CD2 4.12Å; I396-F473 HydrophobicContact CG1-CE2 3.94Å; I396-F473 HydrophobicContact CG2-CE1 4.18Å; I396-F473 HydrophobicContact CG2-CE2 3.86Å; I396-F473 HydrophobicContact CG2-CZ 3.64Å; L406-F473 HydrophobicContact CD1-CE1 4.33Å; L406-F473 HydrophobicContact CD1-CZ 3.82Å; F473-I484 HydrophobicContact CD1-CG1 4.1Å; F473-I484 HydrophobicContact CE1-CG1 4.27Å; F473-Y485 VanDerWaalsContact O-CE1 3.28Å; F473-Y485 WeakPolarHBondContact O-CE1 3.46Å; F473-V498 HydrophobicContact CD1-CG2 4.46Å; F473-V498 HydrophobicContact CE1-CG2 4.41Å
474	S	98.2	Very high	96.1	Very high	1 Å²	1	19 Å²	19	1%	0.007	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-65.4	155.9	169.8	64	0	0	0	0	111.4	T479 Q481 F483	S474-T479 VanDerWaalsContact CB-OG1 3.24Å; S474-T479 WeakPolarHBondContact CB-OG1 3.16Å; S474-T479 PolarHBondContact OG-OG1 3.09Å; S474-Q481 WeakPolarHBondContact O-CA 3.18Å; S474-F483 PolarHBondContact N-O 3.49Å; S474-F483 WeakPolarHBondContact OG-CA 3.47Å; S474-F483 WeakPolarHBondContact OG-CB 3.25Å; S474-F483 PolarHBondContact OG-N 2.97Å; S474-F483 PolarHBondContact OG-O 2.73Å
475	P	97.5	Very high	96.3	Very high	18 Å²	18	19.3 Å²	19.3	12%	0.117	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-66.2	144.3	-169.2	-18.8	31.3	0	0	0	112.6	T479 Q481 W519 P521	P475-T479 PolarHBondContact O-N 2.95Å; P475-T479 PolarHBondContact O-OG1 3.47Å; P475-Q481 PolarHBondContact O-N 2.85Å; P475-W519 HydrophobicContact CG-CB 4Å; P475-W519 HydrophobicContact CG-CG 3.87Å; P475-P521 VanDerWaalsContact CB-O 3.28Å; P475-P521 WeakPolarHBondContact CB-O 3.32Å
476	E	95.4	Very high	96.6	Very high	124 Å²	124	19.2 Å²	19.2	58%	0.579	9%	0.087	S	C	*	.	H	α-helix	trans	-62.1	-46.2	-180	-172.6	169.2	-159.6	0	0	111.6	G480 Q481	E476-G480 WeakPolarHBondContact O-CA 3.48Å; E476-G480 PolarHBondContact O-N 2.98Å; E476-Q481 HydrophobicContact CB-CG 3.73Å; E476-Q481 HydrophobicContact CG-CG 4.17Å
477	F	95	Very high	97.1	Very high	88 Å²	88	18.6 Å²	18.6	39%	0.386	8%	0.084	S	C	.	.	H	α-helix	trans	-61.6	-54.5	-178.1	-176.1	-85	0	0	0	113.2	H175 S179 Y522	H175-F477 AromaticContact CE1-CD2 3.42Å; H175-F477 VanDerWaalsContact CE1-CD2 3.42Å; H175-F477 WeakPolarHBondContact CE1-CD2 3.33Å; H175-F477 AromaticContact CE1-CE2 3.62Å; H175-F477 AromaticContact CE1-CG 3.69Å; H175-F477 PolarHBondContact CE1-O 2.73Å; H175-F477 VanDerWaalsContact CE1-O 3.22Å; H175-F477 AromaticContact NE2-CD2 4Å; H175-F477 PolarHBondContact NE2-O 2.87Å; S179-F477 PolarHBondContact OG-O 3.04Å; F477-Y522 HydrophobicContact CB-CD1 4.05Å; F477-Y522 HydrophobicContact CB-CE1 4.31Å; F477-Y522 AromaticContact CD1-CD1 3.69Å; F477-Y522 HydrophobicContact CD1-CD1 3.69Å; F477-Y522 HydrophobicContact CD1-CG 4.47Å; F477-Y522 AromaticContact CD2-CD1 3.9Å; F477-Y522 HydrophobicContact CD2-CD1 3.9Å; F477-Y522 HydrophobicContact CD2-CE1 4.11Å; F477-Y522 HydrophobicContact CE1-CD1 4.04Å; F477-Y522 HydrophobicContact CE2-CD1 4.23Å; F477-Y522 AromaticContact CG-CD1 3.61Å; F477-Y522 HydrophobicContact CG-CD1 3.61Å; F477-Y522 HydrophobicContact CG-CE1 4.12Å; F477-Y522 HydrophobicContact CZ-CD1 4.3Å
478	S	93.3	Very high	97.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-76.7	-30.2	-175.5	56	0	0	0	0	113.9	S179 R182 D524	S179-S478 WeakPolarHBondContact CA-O 3.4Å; R182-S478 WeakPolarHBondContact CB-O 3.45Å; R182-S478 WeakPolarHBondContact CD-O 3.5Å; S478-D524 WeakPolarHBondContact CB-OD1 3.19Å
479	T	95.3	Very high	97.1	Very high	2 Å²	2	18 Å²	18	1%	0.012	8%	0.081	C	C	.	.	H	α-helix	trans	-129.9	-5.2	-169.2	70.5	0	0	0	0	115.7	T145 S474 P475 Q481 R482 F483 W519	T145-T479 WeakPolarHBondContact CG2-O 3.4Å; S474-T479 VanDerWaalsContact CB-OG1 3.24Å; S474-T479 WeakPolarHBondContact CB-OG1 3.16Å; S474-T479 PolarHBondContact OG-OG1 3.09Å; P475-T479 PolarHBondContact O-N 2.95Å; P475-T479 PolarHBondContact O-OG1 3.47Å; T479-Q481 PolarHBondContact O-N 3.43Å; T479-Q481 PolarHBondContact OG1-N 2.95Å; T479-R482 WeakPolarHBondContact O-CB 3.28Å; T479-R482 PolarHBondContact O-N 3.25Å; T479-F483 HydrophobicContact CG2-CD2 4.17Å; T479-F483 HydrophobicContact CG2-CE2 4.39Å; T479-W519 HydrophobicContact CG2-CH2 4.04Å; T479-W519 HydrophobicContact CG2-CZ2 3.73Å
480	G	95.3	Very high	96.8	Very high	3 Å²	3	18.9 Å²	18.9	3%	0.031	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	28.8	-171.6	0	0	0	0	0	113.5	E476 R482	E476-G480 WeakPolarHBondContact O-CA 3.48Å; E476-G480 PolarHBondContact O-N 2.98Å; G480-R482 PolarHBondContact O-N 2.71Å; G480-R482 VanDerWaalsContact O-N 3.14Å
481	Q	96.9	Very high	96.6	Very high	19 Å²	19	18.7 Å²	18.7	9%	0.089	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	26.5	-172.6	-48.9	-174.7	-53.8	0	0	114.2	K389 S474 P475 E476 T479 F483	K389-Q481 PolarHBondContact O-NE2 3.17Å; S474-Q481 WeakPolarHBondContact O-CA 3.18Å; P475-Q481 PolarHBondContact O-N 2.85Å; E476-Q481 HydrophobicContact CB-CG 3.73Å; E476-Q481 HydrophobicContact CG-CG 4.17Å; T479-Q481 PolarHBondContact O-N 3.43Å; T479-Q481 PolarHBondContact OG1-N 2.95Å; Q481-F483 PolarHBondContact O-N 3.31Å
482	R	97.1	Very high	96.4	Very high	65 Å²	65	22.5 Å²	22.5	25%	0.245	10%	0.103	C	C	.	.			trans	-64.4	-24.7	-175.3	179.2	170.4	179.7	164.7	4.2	113.9	I141 T145 T183 T479 G480 D497 V498	I141-R482 HydrophobicContact CG2-CB 3.91Å; I141-R482 HydrophobicContact CG2-CG 4.12Å; T145-R482 HydrophobicContact CG2-CB 4.36Å; T183-R482 HydrophobicContact CG2-CB 4.3Å; T479-R482 WeakPolarHBondContact O-CB 3.28Å; T479-R482 PolarHBondContact O-N 3.25Å; G480-R482 PolarHBondContact O-N 2.71Å; G480-R482 VanDerWaalsContact O-N 3.14Å; R482-D497 IonicContact CZ-OD2 3.64Å; R482-D497 IonicContact NE-OD2 3.91Å; R482-D497 PolarHBondContact NE-OD2 3.38Å; R482-D497 IonicContact NH2-OD2 3.71Å; R482-D497 PolarHBondContact NH2-OD2 3.38Å; R482-V498 WeakPolarHBondContact O-CB 3.18Å; R482-V498 VanDerWaalsContact O-CG2 3.25Å; R482-V498 WeakPolarHBondContact O-CG2 3.46Å; R482-V498 PolarHBondContact O-N 2.76Å
483	F	98.6	Very high	96.4	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.022	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	155.5	-174.5	-50.4	-71.8	0	0	0	112.5	T183 L186 S474 T479 Q481 I495 Y496 D497 V504 W519	T183-F483 HydrophobicContact CG2-CE2 3.73Å; T183-F483 HydrophobicContact CG2-CZ 4.14Å; L186-F483 HydrophobicContact CD1-CZ 4.44Å; L186-F483 HydrophobicContact CD2-CD2 4.11Å; L186-F483 HydrophobicContact CD2-CE2 3.67Å; L186-F483 HydrophobicContact CD2-CZ 3.9Å; L186-F483 HydrophobicContact CG-CZ 4.45Å; S474-F483 PolarHBondContact N-O 3.49Å; S474-F483 WeakPolarHBondContact OG-CA 3.47Å; S474-F483 WeakPolarHBondContact OG-CB 3.25Å; S474-F483 PolarHBondContact OG-N 2.97Å; S474-F483 PolarHBondContact OG-O 2.73Å; T479-F483 HydrophobicContact CG2-CD2 4.17Å; T479-F483 HydrophobicContact CG2-CE2 4.39Å; Q481-F483 PolarHBondContact O-N 3.31Å; F483-I495 HydrophobicContact CB-CG2 3.86Å; F483-I495 HydrophobicContact CD1-CG2 4.23Å; F483-I495 HydrophobicContact CG-CG2 4.09Å; F483-Y496 CarbonylContact C-O 3.57Å; F483-Y496 WeakPolarHBondContact CA-O 3.47Å; F483-Y496 VanDerWaalsContact CB-O 3.29Å; F483-Y496 WeakPolarHBondContact CB-O 3.26Å; F483-D497 HydrophobicContact CD1-CB 4.21Å; F483-D497 HydrophobicContact CE1-CB 4.3Å; F483-V504 HydrophobicContact CD1-CG2 3.86Å; F483-V504 HydrophobicContact CE1-CG2 3.88Å; F483-W519 HydrophobicContact CD2-CH2 4.03Å; F483-W519 HydrophobicContact CD2-CZ3 4.42Å
484	I	98.8	Very high	96.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.3	160.1	-68.9	152.7	0	0	0	106.5	I396 I404 Y459 R472 F473 I495 Y496 V498	I396-I484 HydrophobicContact CD1-CG1 4.05Å; I396-I484 HydrophobicContact CD1-CG2 3.76Å; I396-I484 HydrophobicContact CG2-CD1 3.71Å; I396-I484 HydrophobicContact CG2-CG1 4.15Å; I404-I484 HydrophobicContact CD1-CG2 4.17Å; I404-I484 HydrophobicContact CG2-CG2 4.33Å; Y459-I484 HydrophobicContact CD2-CD1 3.91Å; Y459-I484 HydrophobicContact CE1-CD1 4.09Å; Y459-I484 HydrophobicContact CE2-CD1 3.39Å; Y459-I484 HydrophobicContact CG-CD1 4.48Å; Y459-I484 VanDerWaalsContact CZ-CD1 3.5Å; R472-I484 WeakPolarHBondContact O-CA 3.48Å; F473-I484 HydrophobicContact CD1-CG1 4.1Å; F473-I484 HydrophobicContact CE1-CG1 4.27Å; I484-I495 WeakPolarHBondContact O-CA 3.47Å; I484-Y496 HydrophobicContact CG2-CD2 4.39Å; I484-Y496 PolarHBondContact N-O 3.47Å; I484-Y496 PolarHBondContact O-N 3.18Å; I484-V498 HydrophobicContact CD1-CG2 3.81Å; I484-V498 HydrophobicContact CG1-CG2 3.75Å
485	Y	98.7	Very high	96.4	Very high	8 Å²	8	20.8 Å²	20.8	3%	0.031	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.8	173.1	64.2	-84.4	0	0	0	110.8	C471 R472 F473 V494 V517 W519	C471-Y485 CarbonylContact C-O 3.57Å; C471-Y485 VanDerWaalsContact CA-O 3.25Å; C471-Y485 WeakPolarHBondContact CA-O 3.34Å; R472-Y485 HydrophobicContact CB-CD1 4.46Å; R472-Y485 HydrophobicContact CB-CE1 3.82Å; R472-Y485 HydrophobicContact CB-CE2 4.02Å; R472-Y485 WeakPolarHBondContact CD-OH 3.43Å; R472-Y485 HydrophobicContact CG-CE2 4.31Å; R472-Y485 PolarHBondContact N-O 2.81Å; R472-Y485 WeakPolarHBondContact O-CD1 3.36Å; R472-Y485 PolarHBondContact O-N 3.14Å; F473-Y485 VanDerWaalsContact O-CE1 3.28Å; F473-Y485 WeakPolarHBondContact O-CE1 3.46Å; Y485-V494 WeakPolarHBondContact CA-O 3.43Å; Y485-V517 HydrophobicContact CD2-CB 3.89Å; Y485-V517 HydrophobicContact CD2-CG1 3.54Å; Y485-V517 HydrophobicContact CE2-CB 3.91Å; Y485-V517 HydrophobicContact CE2-CG1 3.68Å; Y485-V517 WeakPolarHBondContact CE2-O 3.49Å; Y485-W519 AromaticContact CD1-CE3 3.68Å; Y485-W519 HydrophobicContact CD1-CE3 3.68Å; Y485-W519 HydrophobicContact CD1-CZ3 4.34Å; Y485-W519 HydrophobicContact CE1-CB 3.76Å; Y485-W519 AromaticContact CE1-CE3 3.95Å; Y485-W519 HydrophobicContact CE1-CE3 3.95Å; Y485-W519 HydrophobicContact CE2-CB 4.32Å; Y485-W519 HydrophobicContact CG-CE3 4.22Å; Y485-W519 PolarHBondContact OH-N 3.45Å
486	S	98.6	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150	-177.8	-177.3	0	0	0	0	111.1	R470 I493 V494	R470-S486 WeakPolarHBondContact O-CA 3.37Å; R470-S486 PolarHBondContact O-OG 3.07Å; S486-I493 WeakPolarHBondContact O-CA 3.15Å; S486-V494 PolarHBondContact N-O 3.4Å; S486-V494 PolarHBondContact O-N 2.93Å
487	G	98	Very high	96.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.064	C	C	.	.			trans	-65.7	177.3	158.4	0	0	0	0	0	112.1	I469 R470 V514	I469-G487 VanDerWaalsContact CG2-C 3.45Å; I469-G487 WeakPolarHBondContact CG2-O 3.48Å; R470-G487 PolarHBondContact O-N 3.12Å; G487-V514 CarbonylContact C-O 3.19Å; G487-V514 VanDerWaalsContact CA-O 3.32Å; G487-V514 WeakPolarHBondContact CA-O 3.46Å
488	C	96.2	Very high	96.7	Very high	1 Å²	1	10 Å²	10	1%	0.007	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-156.2	142.9	-178.8	-170.5	0	0	0	0	110.6	H462 G463 T490 G491 K492 V494 V514	H462-C488 HydrophobicContact CB-CB 4.28Å; G463-C488 PolarHBondContact N-SG 3.42Å; C488-T490 PolarHBondContact O-N 2.6Å; C488-T490 PolarHBondContact SG-OG1 3.03Å; C488-G491 PolarHBondContact O-N 3.12Å; C488-K492 HydrophobicContact CB-CB 4.26Å; C488-K492 WeakPolarHBondContact CB-O 3.24Å; C488-K492 PolarHBondContact N-O 3.33Å; C488-V494 HydrophobicContact CB-CG2 4.42Å; C488-V514 PolarHBondContact N-O 2.65Å; C488-V514 VanDerWaalsContact N-O 3.14Å; C488-V514 PolarHBondContact O-N 2.81Å; C488-V514 VanDerWaalsContact O-N 3.09Å
489	S	93.6	Very high	96.8	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.007	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-10.3	172.8	57.3	0	0	0	0	114.6	W111 G463	W111-S489 WeakPolarHBondContact CH2-O 3.43Å; G463-S489 PolarHBondContact O-N 3.14Å; G463-S489 PolarHBondContact O-OG 2.8Å
490	T	91.6	Very high	96.9	Very high	20 Å²	20	13 Å²	13	12%	0.123	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	24.5	-177.9	68.6	0	0	0	0	113.9	Y119 P121 C488 K492	Y119-T490 HydrophobicContact CD1-CG2 4.03Å; Y119-T490 WeakPolarHBondContact O-CG2 3.39Å; P121-T490 HydrophobicContact CG-CG2 4.35Å; C488-T490 PolarHBondContact O-N 2.6Å; C488-T490 PolarHBondContact SG-OG1 3.03Å; T490-K492 VanDerWaalsContact C-N 3.29Å; T490-K492 PolarHBondContact O-N 2.88Å
491	G	93.4	Very high	96.9	Very high	1 Å²	1	13 Å²	13	1%	0.01	6%	0.064	C	C	.	.	S	Bend	trans	71.2	20.8	177.7	0	0	0	0	0	115.2	C488 H510 A512	C488-G491 PolarHBondContact O-N 3.12Å; G491-H510 WeakPolarHBondContact CA-O 3.4Å; G491-H510 PolarHBondContact O-N 2.92Å; G491-A512 WeakPolarHBondContact CA-O 3.32Å
492	K	95.4	Very high	96.9	Very high	80 Å²	80	16 Å²	16	35%	0.348	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.4	-171.7	-68.9	172.1	-171.4	173.6	0	112.2	C488 T490 L507 S508	C488-K492 HydrophobicContact CB-CB 4.26Å; C488-K492 WeakPolarHBondContact CB-O 3.24Å; C488-K492 PolarHBondContact N-O 3.33Å; T490-K492 VanDerWaalsContact C-N 3.29Å; T490-K492 PolarHBondContact O-N 2.88Å; K492-L507 CarbonylContact C-O 3.55Å; K492-L507 WeakPolarHBondContact CA-O 3.48Å; K492-L507 WeakPolarHBondContact CB-O 3.42Å; K492-S508 WeakPolarHBondContact CE-OG 3.17Å
493	I	98.1	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.3	165.7	-56.1	167.6	0	0	0	106.9	S486 I495 R506 L507 V514 V517 I526 W538	S486-I493 WeakPolarHBondContact O-CA 3.15Å; I493-I495 HydrophobicContact CG2-CG1 4.46Å; I493-R506 CarbonylContact O-C 3.38Å; I493-R506 WeakPolarHBondContact O-CA 3.23Å; I493-L507 HydrophobicContact CB-CB 4.03Å; I493-L507 HydrophobicContact CB-CD1 4.14Å; I493-L507 HydrophobicContact CB-CG 4.16Å; I493-L507 HydrophobicContact CD1-CB 4.48Å; I493-L507 HydrophobicContact CD1-CD1 4.07Å; I493-L507 HydrophobicContact CG2-CD1 4.3Å; I493-L507 PolarHBondContact N-O 3.12Å; I493-L507 PolarHBondContact O-N 2.83Å; I493-V514 HydrophobicContact CG1-CG1 4.29Å; I493-V517 HydrophobicContact CD1-CG1 4.19Å; I493-V517 HydrophobicContact CD1-CG2 4.49Å; I493-V517 HydrophobicContact CG1-CG2 4.14Å; I493-V517 HydrophobicContact CG2-CG1 4.06Å; I493-V517 HydrophobicContact CG2-CG2 4.37Å; I493-I526 HydrophobicContact CD1-CG2 4.29Å; I493-W538 HydrophobicContact CD1-CD2 4.1Å; I493-W538 HydrophobicContact CD1-CG 4.21Å; I493-W538 HydrophobicContact CD1-CZ2 3.99Å; I493-W538 VanDerWaalsContact CD1-NE1 3.26Å
494	V	98.3	Very high	96.8	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.5	-177.6	-171.5	0	0	0	0	109.1	H462 Y485 S486 C488 Y496 V503	H462-V494 HydrophobicContact CB-CB 4.09Å; H462-V494 HydrophobicContact CB-CG2 3.75Å; Y485-V494 WeakPolarHBondContact CA-O 3.43Å; S486-V494 PolarHBondContact N-O 3.4Å; S486-V494 PolarHBondContact O-N 2.93Å; C488-V494 HydrophobicContact CB-CG2 4.42Å; V494-Y496 HydrophobicContact CB-CE2 4.1Å; V494-Y496 HydrophobicContact CG1-CD2 4.35Å; V494-Y496 HydrophobicContact CG1-CE1 4.17Å; V494-Y496 HydrophobicContact CG1-CE2 3.66Å; V494-V503 HydrophobicContact CG1-CB 4.38Å; V494-V503 HydrophobicContact CG1-CG1 3.65Å; V494-V503 HydrophobicContact CG1-CG2 3.76Å
495	I	98.6	Very high	96.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.3	-179.8	-52	-177.6	0	0	0	109	F483 I484 I493 V503 V504 S505 L507 W519 I526	F483-I495 HydrophobicContact CB-CG2 3.86Å; F483-I495 HydrophobicContact CD1-CG2 4.23Å; F483-I495 HydrophobicContact CG-CG2 4.09Å; I484-I495 WeakPolarHBondContact O-CA 3.47Å; I493-I495 HydrophobicContact CG2-CG1 4.46Å; I495-V503 CarbonylContact O-C 3.54Å; I495-V503 WeakPolarHBondContact O-CA 3.47Å; I495-V504 HydrophobicContact CB-CG2 4.29Å; I495-V504 HydrophobicContact CG2-CG2 3.88Å; I495-V504 WeakPolarHBondContact O-CG2 3.27Å; I495-V504 PolarHBondContact O-N 3.48Å; I495-S505 PolarHBondContact N-O 2.68Å; I495-S505 PolarHBondContact O-N 3.48Å; I495-L507 HydrophobicContact CD1-CD1 4.36Å; I495-W519 HydrophobicContact CD1-CZ3 4.28Å; I495-W519 HydrophobicContact CG2-CZ3 4.43Å; I495-I526 HydrophobicContact CD1-CD1 3.97Å
496	Y	98.5	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141	-178.2	-60.4	-88.2	0	0	0	110.7	I404 Y459 R460 G461 H462 F483 I484 V494 M502 V503	I404-Y496 HydrophobicContact CD1-CE2 4.11Å; Y459-Y496 HydrophobicContact CD1-CD1 4.05Å; Y459-Y496 HydrophobicContact CD1-CG 4.13Å; Y459-Y496 HydrophobicContact CG-CD1 4.32Å; Y459-Y496 HydrophobicContact CG-CG 4.39Å; R460-Y496 WeakPolarHBondContact O-CE1 3.46Å; R460-Y496 PolarHBondContact O-OH 3.22Å; G461-Y496 PolarHBondContact N-OH 2.87Å; H462-Y496 PolarHBondContact N-OH 3.39Å; H462-Y496 VanDerWaalsContact N-OH 3.14Å; H462-Y496 AromaticContact ND1-CZ 3.81Å; H462-Y496 PolarHBondContact ND1-OH 3.41Å; F483-Y496 CarbonylContact C-O 3.57Å; F483-Y496 WeakPolarHBondContact CA-O 3.47Å; F483-Y496 VanDerWaalsContact CB-O 3.29Å; F483-Y496 WeakPolarHBondContact CB-O 3.26Å; I484-Y496 HydrophobicContact CG2-CD2 4.39Å; I484-Y496 PolarHBondContact N-O 3.47Å; I484-Y496 PolarHBondContact O-N 3.18Å; V494-Y496 HydrophobicContact CB-CE2 4.1Å; V494-Y496 HydrophobicContact CG1-CD2 4.35Å; V494-Y496 HydrophobicContact CG1-CE1 4.17Å; V494-Y496 HydrophobicContact CG1-CE2 3.66Å; Y496-M502 VanDerWaalsContact CA-O 3.32Å; Y496-M502 WeakPolarHBondContact CA-O 3.3Å; Y496-V503 HydrophobicContact CD1-CG2 3.67Å; Y496-V503 HydrophobicContact CE1-CG2 3.31Å
497	D	97.9	Very high	96.4	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.2	164.9	169.6	-69.8	0	0	0	109.7	R482 F483 L499 T500 G501 M502 V504	R482-D497 IonicContact CZ-OD2 3.64Å; R482-D497 IonicContact NE-OD2 3.91Å; R482-D497 PolarHBondContact NE-OD2 3.38Å; R482-D497 IonicContact NH2-OD2 3.71Å; R482-D497 PolarHBondContact NH2-OD2 3.38Å; F483-D497 HydrophobicContact CD1-CB 4.21Å; F483-D497 HydrophobicContact CE1-CB 4.3Å; D497-L499 PolarHBondContact O-N 2.69Å; D497-L499 PolarHBondContact OD1-N 3.25Å; D497-T500 WeakPolarHBondContact CB-OG1 3.48Å; D497-T500 VanDerWaalsContact CG-OG1 3.25Å; D497-T500 PolarHBondContact O-N 3.2Å; D497-T500 WeakPolarHBondContact OD1-CB 3.38Å; D497-T500 WeakPolarHBondContact OD1-CG2 3.33Å; D497-T500 PolarHBondContact OD1-N 3.4Å; D497-T500 PolarHBondContact OD1-OG1 2.76Å; D497-G501 PolarHBondContact O-N 2.97Å; D497-M502 PolarHBondContact N-O 2.94Å; D497-V504 HydrophobicContact CB-CG1 3.67Å
498	V	98.3	Very high	96.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.8	-173	171.4	0	0	0	0	112	I137 I141 L406 Y459 F473 R482 I484	I137-V498 HydrophobicContact CD1-CG1 4Å; I137-V498 HydrophobicContact CG1-CG1 4.49Å; I141-V498 HydrophobicContact CD1-CB 3.9Å; I141-V498 HydrophobicContact CD1-CG1 3.63Å; I141-V498 HydrophobicContact CD1-CG2 4.39Å; L406-V498 HydrophobicContact CD2-CG1 4.28Å; Y459-V498 PolarHBondContact OH-O 3.29Å; F473-V498 HydrophobicContact CD1-CG2 4.46Å; F473-V498 HydrophobicContact CE1-CG2 4.41Å; R482-V498 WeakPolarHBondContact O-CB 3.18Å; R482-V498 VanDerWaalsContact O-CG2 3.25Å; R482-V498 WeakPolarHBondContact O-CG2 3.46Å; R482-V498 PolarHBondContact O-N 2.76Å; I484-V498 HydrophobicContact CD1-CG2 3.81Å; I484-V498 HydrophobicContact CG1-CG2 3.75Å
499	L	96.9	Very high	96	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.052	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-23	-170.2	-55.1	-173.1	0	0	0	113.5	V132 R138 I141 L142 D497	V132-L499 HydrophobicContact CG2-CD2 4.36Å; R138-L499 HydrophobicContact CB-CD2 3.94Å; R138-L499 HydrophobicContact CG-CD2 4.07Å; I141-L499 HydrophobicContact CB-CD1 4.42Å; I141-L499 HydrophobicContact CB-CD2 4.23Å; I141-L499 HydrophobicContact CD1-CD2 3.94Å; I141-L499 HydrophobicContact CG2-CD1 3.93Å; I141-L499 HydrophobicContact CG2-CD2 4.36Å; I141-L499 HydrophobicContact CG2-CG 4.23Å; L142-L499 HydrophobicContact CD2-CD1 4.1Å; L142-L499 HydrophobicContact CG-CD1 4.16Å; D497-L499 PolarHBondContact O-N 2.69Å; D497-L499 PolarHBondContact OD1-N 3.25Å
500	T	96	Very high	96.1	Very high	54 Å²	54	28.1 Å²	28.1	33%	0.331	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-15.8	-176.5	58	0	0	0	0	113.6	D497 M502	D497-T500 WeakPolarHBondContact CB-OG1 3.48Å; D497-T500 VanDerWaalsContact CG-OG1 3.25Å; D497-T500 PolarHBondContact O-N 3.2Å; D497-T500 WeakPolarHBondContact OD1-CB 3.38Å; D497-T500 WeakPolarHBondContact OD1-CG2 3.33Å; D497-T500 PolarHBondContact OD1-N 3.4Å; D497-T500 PolarHBondContact OD1-OG1 2.76Å; T500-M502 PolarHBondContact O-N 2.78Å; T500-M502 VanDerWaalsContact O-N 3.17Å
501	G	95.8	Very high	96	Very high	5 Å²	5	32.8 Å²	32.8	5%	0.052	18%	0.182	C	C	.	.			trans	75.8	-10.3	-175.1	0	0	0	0	0	114.7	D497	D497-G501 PolarHBondContact O-N 2.97Å
502	M	96.4	Very high	96	Very high	81 Å²	81	33.2 Å²	33.2	40%	0.399	19%	0.186	S	C	.	.			trans	-74.5	141.2	-172.1	-65.7	-62.1	-71.4	0	0	111.7	P127 Y496 D497 T500 V504	P127-M502 HydrophobicContact CG-SD 3.84Å; Y496-M502 VanDerWaalsContact CA-O 3.32Å; Y496-M502 WeakPolarHBondContact CA-O 3.3Å; D497-M502 PolarHBondContact N-O 2.94Å; T500-M502 PolarHBondContact O-N 2.78Å; T500-M502 VanDerWaalsContact O-N 3.17Å; M502-V504 PolarHBondContact O-N 3.48Å
503	V	96.9	Very high	95.9	Very high	22 Å²	22	29.4 Å²	29.4	13%	0.133	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	113	163.8	178.7	0	0	0	0	108.4	V123 V494 I495 Y496 S505 R506	V123-V503 HydrophobicContact CG1-CG2 4.15Å; V494-V503 HydrophobicContact CG1-CB 4.38Å; V494-V503 HydrophobicContact CG1-CG1 3.65Å; V494-V503 HydrophobicContact CG1-CG2 3.76Å; I495-V503 CarbonylContact O-C 3.54Å; I495-V503 WeakPolarHBondContact O-CA 3.47Å; Y496-V503 HydrophobicContact CD1-CG2 3.67Å; Y496-V503 HydrophobicContact CE1-CG2 3.31Å; V503-S505 WeakPolarHBondContact CG1-O 3.4Å; V503-R506 HydrophobicContact CG1-CG 3.74Å; V503-R506 VanDerWaalsContact CG1-CZ 3.48Å
504	V	96.1	Very high	95.8	Very high	64 Å²	64	29.4 Å²	29.4	39%	0.388	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-21.9	-179.5	-68.1	0	0	0	0	113.4	L186 F483 I495 D497 M502	L186-V504 HydrophobicContact CD1-CB 4.22Å; L186-V504 HydrophobicContact CD1-CG2 3.78Å; F483-V504 HydrophobicContact CD1-CG2 3.86Å; F483-V504 HydrophobicContact CE1-CG2 3.88Å; I495-V504 HydrophobicContact CB-CG2 4.29Å; I495-V504 HydrophobicContact CG2-CG2 3.88Å; I495-V504 WeakPolarHBondContact O-CG2 3.27Å; I495-V504 PolarHBondContact O-N 3.48Å; D497-V504 HydrophobicContact CB-CG1 3.67Å; M502-V504 PolarHBondContact O-N 3.48Å
505	S	95.9	Very high	95.7	Very high	27 Å²	27	29.6 Å²	29.6	19%	0.189	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.9	170.8	-171.3	0	0	0	0	112.2	I495 V503 L507	I495-S505 PolarHBondContact N-O 2.68Å; I495-S505 PolarHBondContact O-N 3.48Å; V503-S505 WeakPolarHBondContact CG1-O 3.4Å; S505-L507 WeakPolarHBondContact OG-CD2 3.44Å
506	R	96	Very high	95.7	Very high	107 Å²	107	29.6 Å²	29.6	40%	0.404	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	97.9	171	-70	-174.4	-173.9	74.9	4.3	109.1	I493 V503	I493-R506 CarbonylContact O-C 3.38Å; I493-R506 WeakPolarHBondContact O-CA 3.23Å; V503-R506 HydrophobicContact CG1-CG 3.74Å; V503-R506 VanDerWaalsContact CG1-CZ 3.48Å
507	L	96.4	Very high	95.7	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.1	176.1	-39.3	-179	0	0	0	107.7	P187 K492 I493 I495 S505 I526 W538	P187-L507 HydrophobicContact CB-CD1 4.18Å; P187-L507 HydrophobicContact CB-CD2 4.47Å; P187-L507 WeakPolarHBondContact O-CD2 3.18Å; K492-L507 CarbonylContact C-O 3.55Å; K492-L507 WeakPolarHBondContact CA-O 3.48Å; K492-L507 WeakPolarHBondContact CB-O 3.42Å; I493-L507 HydrophobicContact CB-CB 4.03Å; I493-L507 HydrophobicContact CB-CD1 4.14Å; I493-L507 HydrophobicContact CB-CG 4.16Å; I493-L507 HydrophobicContact CD1-CB 4.48Å; I493-L507 HydrophobicContact CD1-CD1 4.07Å; I493-L507 HydrophobicContact CG2-CD1 4.3Å; I493-L507 PolarHBondContact N-O 3.12Å; I493-L507 PolarHBondContact O-N 2.83Å; I495-L507 HydrophobicContact CD1-CD1 4.36Å; S505-L507 WeakPolarHBondContact OG-CD2 3.44Å; L507-I526 HydrophobicContact CD1-CD1 4.33Å; L507-W538 HydrophobicContact CB-CD2 4.09Å; L507-W538 HydrophobicContact CB-CE3 3.55Å; L507-W538 HydrophobicContact CB-CH2 4.15Å; L507-W538 HydrophobicContact CB-CZ3 3.57Å; L507-W538 HydrophobicContact CD1-CB 3.92Å; L507-W538 HydrophobicContact CD1-CD2 3.92Å; L507-W538 HydrophobicContact CD1-CE3 4.01Å; L507-W538 HydrophobicContact CD1-CG 3.87Å; L507-W538 HydrophobicContact CG-CE3 4.29Å
508	S	94.2	Very high	95.7	Very high	64 Å²	64	30 Å²	30	45%	0.448	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.3	-177.6	-55	0	0	0	0	109	K492	K492-S508 WeakPolarHBondContact CE-OG 3.17Å
509	G	91.9	Very high	95.7	Very high	30 Å²	30	30.4 Å²	30.4	31%	0.309	17%	0.174	S	C	.	.			trans	146	8.9	-178.3	0	0	0	0	0	115.7	R536	G509-R536 VanDerWaalsContact O-CD 3.3Å; G509-R536 WeakPolarHBondContact O-CD 3.49Å; G509-R536 PolarHBondContact O-NE 3.4Å; G509-R536 PolarHBondContact O-NH1 3.25Å; G509-R536 PolarHBondContact O-NH2 3.43Å; G509-R536 VanDerWaalsContact O-NH2 3.1Å
510	H	94.8	Very high	95.7	Very high	13 Å²	13	30.7 Å²	30.7	6%	0.06	18%	0.175	C	C	.	.			trans	-96.6	151.8	154.6	-79.3	-85.7	0	0	0	110.1	G491 V514 S528 S530 D532 A534 R536 W538	G491-H510 WeakPolarHBondContact CA-O 3.4Å; G491-H510 PolarHBondContact O-N 2.92Å; H510-V514 HydrophobicContact CB-CG2 3.78Å; H510-V514 VanDerWaalsContact CD2-CG2 3.44Å; H510-V514 WeakPolarHBondContact CD2-CG2 3.42Å; H510-S528 PolarHBondContact CD2-OG 2.88Å; H510-S528 PolarHBondContact NE2-OG 3.36Å; H510-S530 WeakPolarHBondContact CE1-CB 3.22Å; H510-S530 WeakPolarHBondContact ND1-CB 3.35Å; H510-S530 PolarHBondContact ND1-OG 3Å; H510-D532 VanDerWaalsContact CA-OD2 3.24Å; H510-D532 WeakPolarHBondContact CA-OD2 3.4Å; H510-D532 WeakPolarHBondContact CB-OD2 3.29Å; H510-D532 IonicContact CE1-OD1 2.81Å; H510-D532 IonicContact CG-OD2 3.19Å; H510-D532 VanDerWaalsContact ND1-CG 3.34Å; H510-D532 IonicContact ND1-OD1 2.71Å; H510-D532 PolarHBondContact ND1-OD1 3.36Å; H510-D532 IonicContact ND1-OD2 3.03Å; H510-D532 PolarHBondContact ND1-OD2 3.37Å; H510-A534 PolarHBondContact CE1-O 3.2Å; H510-R536 PolarHBondContact ND1-NH1 2.89Å; H510-W538 AromaticContact CD2-CZ2 3.8Å
511	D	91.3	Very high	95.7	Very high	118 Å²	118	29.4 Å²	29.4	63%	0.631	17%	0.168	S	C	*	.	S	Bend	trans	-101	-5.5	-172.7	-48.6	-79.6	0	0	0	111.4	D532 R536	D511-D532 HydrophobicContact CB-CB 4.21Å; D511-D532 PolarHBondContact N-OD2 2.89Å; D511-R536 IonicContact OD2-CZ 2.72Å; D511-R536 IonicContact OD2-NH1 2.71Å; D511-R536 IonicContact OD2-NH2 2.68Å; D511-R536 PolarHBondContact OD2-NH2 3.18Å
512	A	91.6	Very high	95.7	Very high	11 Å²	11	33.3 Å²	33.3	9%	0.091	18%	0.181	C	C	.	.	S	Bend	trans	-148.8	-177.9	173.1	0	0	0	0	0	111.6	W111 G491 V514 S530 W531 D532	W111-A512 HydrophobicContact CD2-CB 4.41Å; W111-A512 HydrophobicContact CE3-CB 3.63Å; W111-A512 HydrophobicContact CH2-CB 4.04Å; W111-A512 VanDerWaalsContact CZ3-CA 3.48Å; W111-A512 HydrophobicContact CZ3-CB 3.44Å; W111-A512 VanDerWaalsContact CZ3-CB 3.44Å; G491-A512 WeakPolarHBondContact CA-O 3.32Å; A512-V514 PolarHBondContact O-N 2.91Å; A512-S530 PolarHBondContact O-OG 2.95Å; A512-S530 VanDerWaalsContact O-OG 3.09Å; A512-W531 HydrophobicContact CB-CB 4.14Å; A512-D532 HydrophobicContact CB-CB 3.97Å
513	C	93.4	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.			trans	-54.8	120.7	-173.1	173.4	0	0	0	0	114.2	W111 I469 R515 S530 W531	W111-C513 HydrophobicContact CH2-CB 3.73Å; W111-C513 HydrophobicContact CZ2-CB 3.44Å; W111-C513 VanDerWaalsContact CZ2-CB 3.44Å; I469-C513 VanDerWaalsContact CD1-SG 3.51Å; C513-R515 PolarHBondContact O-N 3.04Å; C513-S530 WeakPolarHBondContact O-CA 3.41Å; C513-S530 PolarHBondContact O-OG 2.95Å; C513-W531 HydrophobicContact CB-CB 4.37Å; C513-W531 HydrophobicContact CB-CG 4.35Å; C513-W531 PolarHBondContact O-N 3.4Å
514	V	97.3	Very high	95.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	109.1	166.1	178.3	0	0	0	0	108.4	G487 C488 I493 H510 A512 V517	G487-V514 CarbonylContact C-O 3.19Å; G487-V514 VanDerWaalsContact CA-O 3.32Å; G487-V514 WeakPolarHBondContact CA-O 3.46Å; C488-V514 PolarHBondContact N-O 2.65Å; C488-V514 VanDerWaalsContact N-O 3.14Å; C488-V514 PolarHBondContact O-N 2.81Å; C488-V514 VanDerWaalsContact O-N 3.09Å; I493-V514 HydrophobicContact CG1-CG1 4.29Å; H510-V514 HydrophobicContact CB-CG2 3.78Å; H510-V514 VanDerWaalsContact CD2-CG2 3.44Å; H510-V514 WeakPolarHBondContact CD2-CG2 3.42Å; A512-V514 PolarHBondContact O-N 2.91Å; V514-V517 HydrophobicContact CG1-CG2 3.49Å; V514-V517 VanDerWaalsContact CG1-CG2 3.49Å
515	R	96.4	Very high	95.1	Very high	6 Å²	6	31.4 Å²	31.4	2%	0.023	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-49.4	-179.2	173.4	171	154.9	108.5	-1.1	112.1	F201 L247 T467 L468 R470 C513 S529	F201-R515 WeakPolarHBondContact O-CD 3.46Å; F201-R515 WeakPolarHBondContact O-CG 2.98Å; F201-R515 PolarHBondContact O-NE 3.36Å; L247-R515 PolarHBondContact O-NH2 2.7Å; T467-R515 HydrophobicContact CG2-CB 3.9Å; T467-R515 HydrophobicContact CG2-CG 3.8Å; T467-R515 PolarHBondContact OG1-NH1 3.3Å; L468-R515 PolarHBondContact O-NH1 3.18Å; R470-R515 PolarHBondContact N-O 2.66Å; C513-R515 PolarHBondContact O-N 3.04Å; R515-S529 PolarHBondContact N-O 2.82Å
516	D	97.8	Very high	95.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.8	-176.6	-154.4	-4.1	0	0	0	110.8	G203 R470 R472 S529	G203-D516 PolarHBondContact N-OD2 3.03Å; G203-D516 VanDerWaalsContact N-OD2 3.09Å; R470-D516 VanDerWaalsContact CD-CG 3.48Å; R470-D516 WeakPolarHBondContact CD-OD1 3.23Å; R470-D516 IonicContact CZ-OD2 2.73Å; R470-D516 IonicContact NH1-OD2 2.68Å; R470-D516 PolarHBondContact NH1-OD2 3.17Å; R472-D516 IonicContact CZ-OD1 3.55Å; R472-D516 IonicContact NE-OD1 3.52Å; R472-D516 PolarHBondContact NE-OD1 2.66Å; R472-D516 IonicContact NH2-OD1 2.76Å; R472-D516 PolarHBondContact NH2-OD1 3.1Å; R472-D516 IonicContact NH2-OD2 3.29Å; R472-D516 PolarHBondContact NH2-OD2 2.63Å; D516-S529 PolarHBondContact N-O 2.76Å; D516-S529 PolarHBondContact O-N 2.75Å
517	V	98.4	Very high	95.3	Very high	3 Å²	3	25 Å²	25	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.3	-178.9	-171.9	0	0	0	0	106.6	R472 Y485 I493 V514 I526 I527	R472-V517 WeakPolarHBondContact CD-O 3.42Å; R472-V517 PolarHBondContact NE-O 2.8Å; R472-V517 VanDerWaalsContact NE-O 3.08Å; Y485-V517 HydrophobicContact CD2-CB 3.89Å; Y485-V517 HydrophobicContact CD2-CG1 3.54Å; Y485-V517 HydrophobicContact CE2-CB 3.91Å; Y485-V517 HydrophobicContact CE2-CG1 3.68Å; Y485-V517 WeakPolarHBondContact CE2-O 3.49Å; I493-V517 HydrophobicContact CD1-CG1 4.19Å; I493-V517 HydrophobicContact CD1-CG2 4.49Å; I493-V517 HydrophobicContact CG1-CG2 4.14Å; I493-V517 HydrophobicContact CG2-CG1 4.06Å; I493-V517 HydrophobicContact CG2-CG2 4.37Å; V514-V517 HydrophobicContact CG1-CG2 3.49Å; V514-V517 VanDerWaalsContact CG1-CG2 3.49Å; V517-I526 HydrophobicContact CG1-CG2 3.28Å; V517-I527 WeakPolarHBondContact CA-O 3.4Å
518	S	98.3	Very high	95.4	Very high	8 Å²	8	24.7 Å²	24.7	6%	0.056	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	124	176.3	-164.2	0	0	0	0	110.7	G203 Y205 I526 I527	G203-S518 WeakPolarHBondContact O-CB 3.37Å; Y205-S518 PolarHBondContact N-OG 2.9Å; Y205-S518 VanDerWaalsContact N-OG 3.12Å; S518-I526 CarbonylContact O-C 3.52Å; S518-I526 WeakPolarHBondContact O-CA 3.3Å; S518-I527 PolarHBondContact N-O 2.96Å; S518-I527 PolarHBondContact O-N 3.32Å
519	W	98.1	Very high	95.6	Very high	9 Å²	9	21.7 Å²	21.7	3%	0.034	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.7	174.6	-161.7	-37.3	0	0	0	108.6	L186 P475 T479 F483 Y485 I495 D523 K525 I526	L186-W519 HydrophobicContact CD2-CH2 3.7Å; L186-W519 HydrophobicContact CD2-CZ2 4.42Å; P475-W519 HydrophobicContact CG-CB 4Å; P475-W519 HydrophobicContact CG-CG 3.87Å; T479-W519 HydrophobicContact CG2-CH2 4.04Å; T479-W519 HydrophobicContact CG2-CZ2 3.73Å; F483-W519 HydrophobicContact CD2-CH2 4.03Å; F483-W519 HydrophobicContact CD2-CZ3 4.42Å; Y485-W519 AromaticContact CD1-CE3 3.68Å; Y485-W519 HydrophobicContact CD1-CE3 3.68Å; Y485-W519 HydrophobicContact CD1-CZ3 4.34Å; Y485-W519 HydrophobicContact CE1-CB 3.76Å; Y485-W519 AromaticContact CE1-CE3 3.95Å; Y485-W519 HydrophobicContact CE1-CE3 3.95Å; Y485-W519 HydrophobicContact CE2-CB 4.32Å; Y485-W519 HydrophobicContact CG-CE3 4.22Å; Y485-W519 PolarHBondContact OH-N 3.45Å; I495-W519 HydrophobicContact CD1-CZ3 4.28Å; I495-W519 HydrophobicContact CG2-CZ3 4.43Å; W519-D523 PolarHBondContact NE1-O 2.92Å; W519-K525 WeakPolarHBondContact CA-O 3.35Å; W519-I526 HydrophobicContact CB-CG1 4.02Å; W519-I526 HydrophobicContact CD2-CD1 3.85Å; W519-I526 HydrophobicContact CD2-CG1 3.7Å; W519-I526 HydrophobicContact CE3-CD1 3.67Å; W519-I526 HydrophobicContact CE3-CG1 4.03Å; W519-I526 HydrophobicContact CG-CD1 4.36Å; W519-I526 HydrophobicContact CG-CG1 3.69Å; W519-I526 HydrophobicContact CZ3-CD1 4.07Å
520	H	97.5	Very high	95.8	Very high	16 Å²	16	20.2 Å²	20.2	7%	0.074	10%	0.102	C	C	.	.			trans	-59.1	129.6	-179.6	-174.7	-72.9	0	0	0	110.8	Y205 G209 Y522 D523 K525	Y205-H520 AromaticContact CD1-CD2 3.95Å; Y205-H520 HydrophobicContact CD2-CB 4.17Å; Y205-H520 HydrophobicContact CE1-CB 4.26Å; Y205-H520 AromaticContact CE1-CD2 3.46Å; Y205-H520 VanDerWaalsContact CE1-CD2 3.46Å; Y205-H520 WeakPolarHBondContact CE1-CD2 3.39Å; Y205-H520 HydrophobicContact CE2-CB 3.71Å; Y205-H520 AromaticContact CZ-CD2 3.76Å; G209-H520 PolarHBondContact O-CD2 3.33Å; G209-H520 PolarHBondContact O-NE2 2.96Å; G209-H520 VanDerWaalsContact O-NE2 3.1Å; H520-Y522 VanDerWaalsContact C-N 3.28Å; H520-Y522 PolarHBondContact ND1-N 3.4Å; H520-Y522 VanDerWaalsContact ND1-N 3.16Å; H520-Y522 PolarHBondContact O-N 3.23Å; H520-Y522 VanDerWaalsContact O-N 3.1Å; H520-D523 HydrophobicContact CB-CB 3.96Å; H520-D523 WeakPolarHBondContact ND1-CB 3.47Å; H520-D523 PolarHBondContact ND1-N 3.18Å; H520-D523 VanDerWaalsContact ND1-N 3.1Å; H520-D523 PolarHBondContact O-N 2.98Å; H520-D523 VanDerWaalsContact O-O 3.07Å; H520-K525 HydrophobicContact CB-CB 4.43Å; H520-K525 PolarHBondContact N-O 3.05Å
521	P	95.8	Very high	95.8	Very high	27 Å²	27	20.8 Å²	20.8	18%	0.175	10%	0.104	C	C	.	.	S	Bend	trans	-52.5	-39.3	-173.2	-31.4	37	0	0	0	115.2	E207 P475	E207-P521 WeakPolarHBondContact O-CB 3.23Å; E207-P521 WeakPolarHBondContact O-CG 3.5Å; P475-P521 VanDerWaalsContact CB-O 3.28Å; P475-P521 WeakPolarHBondContact CB-O 3.32Å
522	Y	94.6	Very high	95.9	Very high	86 Å²	86	17.1 Å²	17.1	34%	0.337	8%	0.084	S	C	.	.	S	Bend	trans	-112.2	-9	-175	-50.2	-73.4	0	0	0	116.2	R182 F477 H520	R182-Y522 PolarHBondContact NH1-O 2.88Å; R182-Y522 PolarHBondContact NH2-O 3.02Å; F477-Y522 HydrophobicContact CB-CD1 4.05Å; F477-Y522 HydrophobicContact CB-CE1 4.31Å; F477-Y522 AromaticContact CD1-CD1 3.69Å; F477-Y522 HydrophobicContact CD1-CD1 3.69Å; F477-Y522 HydrophobicContact CD1-CG 4.47Å; F477-Y522 AromaticContact CD2-CD1 3.9Å; F477-Y522 HydrophobicContact CD2-CD1 3.9Å; F477-Y522 HydrophobicContact CD2-CE1 4.11Å; F477-Y522 HydrophobicContact CE1-CD1 4.04Å; F477-Y522 HydrophobicContact CE2-CD1 4.23Å; F477-Y522 AromaticContact CG-CD1 3.61Å; F477-Y522 HydrophobicContact CG-CD1 3.61Å; F477-Y522 HydrophobicContact CG-CE1 4.12Å; F477-Y522 HydrophobicContact CZ-CD1 4.3Å; H520-Y522 VanDerWaalsContact C-N 3.28Å; H520-Y522 PolarHBondContact ND1-N 3.4Å; H520-Y522 VanDerWaalsContact ND1-N 3.16Å; H520-Y522 PolarHBondContact O-N 3.23Å; H520-Y522 VanDerWaalsContact O-N 3.1Å
523	D	92.8	Very high	96	Very high	50 Å²	50	16.7 Å²	16.7	27%	0.267	8%	0.081	S	C	.	.	S	Bend	trans	-116.6	153.4	-174.4	-94.8	21.2	0	0	0	109.5	W519 H520 K525	W519-D523 PolarHBondContact NE1-O 2.92Å; H520-D523 HydrophobicContact CB-CB 3.96Å; H520-D523 WeakPolarHBondContact ND1-CB 3.47Å; H520-D523 PolarHBondContact ND1-N 3.18Å; H520-D523 VanDerWaalsContact ND1-N 3.1Å; H520-D523 PolarHBondContact O-N 2.98Å; H520-D523 VanDerWaalsContact O-O 3.07Å; D523-K525 HydrophobicContact CB-CB 4.37Å; D523-K525 HydrophobicContact CB-CD 4.23Å; D523-K525 HydrophobicContact CB-CG 4.32Å; D523-K525 PolarHBondContact O-N 3.09Å; D523-K525 WeakPolarHBondContact OD2-CE 3.46Å; D523-K525 IonicContact OD2-NZ 2.97Å; D523-K525 PolarHBondContact OD2-NZ 3.32Å
524	D	90.6	Very high	96.2	Very high	43 Å²	43	16.9 Å²	16.9	23%	0.23	8%	0.082	C	C	.	.	S	Bend	trans	-86	48	179.8	-49.1	-43.1	0	0	0	110.6	R182 S478	R182-D524 WeakPolarHBondContact CD-OD1 3.49Å; R182-D524 WeakPolarHBondContact CG-OD2 3.42Å; R182-D524 IonicContact CZ-OD1 3.49Å; R182-D524 IonicContact CZ-OD2 3.49Å; R182-D524 IonicContact NE-OD1 3.22Å; R182-D524 IonicContact NE-OD2 3.65Å; R182-D524 VanDerWaalsContact NH1-CG 3.33Å; R182-D524 IonicContact NH1-OD1 3.68Å; R182-D524 PolarHBondContact NH1-OD1 3.31Å; R182-D524 IonicContact NH1-OD2 2.6Å; R182-D524 PolarHBondContact NH1-OD2 3.31Å; S478-D524 WeakPolarHBondContact CB-OD1 3.19Å
525	K	94.8	Very high	96.2	Very high	35 Å²	35	16.9 Å²	16.9	15%	0.152	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.7	-174.7	-69.4	172.1	-173.5	147.9	0	111.6	W519 H520 D523 M537 W538 E539	W519-K525 WeakPolarHBondContact CA-O 3.35Å; H520-K525 HydrophobicContact CB-CB 4.43Å; H520-K525 PolarHBondContact N-O 3.05Å; D523-K525 HydrophobicContact CB-CB 4.37Å; D523-K525 HydrophobicContact CB-CD 4.23Å; D523-K525 HydrophobicContact CB-CG 4.32Å; D523-K525 PolarHBondContact O-N 3.09Å; D523-K525 WeakPolarHBondContact OD2-CE 3.46Å; D523-K525 IonicContact OD2-NZ 2.97Å; D523-K525 PolarHBondContact OD2-NZ 3.32Å; K525-M537 HydrophobicContact CD-CE 4.5Å; K525-M537 HydrophobicContact CD-SD 4.18Å; K525-W538 WeakPolarHBondContact CA-O 3.42Å; K525-E539 HydrophobicContact CG-CB 4.29Å
526	I	97.6	Very high	96.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.9	175.4	-62.3	173.9	0	0	0	109	P187 I493 I495 L507 V517 S518 W519 M537 W538	P187-I526 HydrophobicContact CG-CD1 4.01Å; P187-I526 HydrophobicContact CG-CG1 4.24Å; I493-I526 HydrophobicContact CD1-CG2 4.29Å; I495-I526 HydrophobicContact CD1-CD1 3.97Å; L507-I526 HydrophobicContact CD1-CD1 4.33Å; V517-I526 HydrophobicContact CG1-CG2 3.28Å; S518-I526 CarbonylContact O-C 3.52Å; S518-I526 WeakPolarHBondContact O-CA 3.3Å; W519-I526 HydrophobicContact CB-CG1 4.02Å; W519-I526 HydrophobicContact CD2-CD1 3.85Å; W519-I526 HydrophobicContact CD2-CG1 3.7Å; W519-I526 HydrophobicContact CE3-CD1 3.67Å; W519-I526 HydrophobicContact CE3-CG1 4.03Å; W519-I526 HydrophobicContact CG-CD1 4.36Å; W519-I526 HydrophobicContact CG-CG1 3.69Å; W519-I526 HydrophobicContact CZ3-CD1 4.07Å; I526-M537 CarbonylContact O-C 3.51Å; I526-M537 WeakPolarHBondContact O-CA 3.43Å; I526-W538 HydrophobicContact CB-CB 4.27Å; I526-W538 PolarHBondContact N-O 2.99Å; I526-W538 PolarHBondContact O-N 3.49Å
527	I	98.4	Very high	96.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.1	164.3	-50.2	-67.2	0	0	0	108.9	Y205 F212 F231 V517 S518 V535 R536 M537	Y205-I527 HydrophobicContact CE2-CB 4.39Å; Y205-I527 HydrophobicContact CE2-CG1 3.62Å; Y205-I527 VanDerWaalsContact OH-CG1 3.25Å; Y205-I527 WeakPolarHBondContact OH-CG1 3.41Å; F212-I527 HydrophobicContact CD1-CG2 4.3Å; F212-I527 HydrophobicContact CD2-CB 4.13Å; F212-I527 HydrophobicContact CD2-CG1 4.02Å; F212-I527 HydrophobicContact CD2-CG2 4.37Å; F212-I527 HydrophobicContact CE1-CB 4.37Å; F212-I527 HydrophobicContact CE1-CG2 3.59Å; F212-I527 HydrophobicContact CE2-CB 3.59Å; F212-I527 HydrophobicContact CE2-CG1 4.02Å; F212-I527 HydrophobicContact CE2-CG2 3.7Å; F212-I527 HydrophobicContact CG-CG1 4.4Å; F212-I527 HydrophobicContact CZ-CB 3.73Å; F212-I527 HydrophobicContact CZ-CG1 4.39Å; F212-I527 HydrophobicContact CZ-CG2 3.25Å; F231-I527 HydrophobicContact CD2-CD1 3.84Å; F231-I527 HydrophobicContact CE2-CD1 3.54Å; F231-I527 HydrophobicContact CE2-CG1 3.97Å; F231-I527 HydrophobicContact CE2-CG2 4.39Å; F231-I527 HydrophobicContact CZ-CD1 4.43Å; V517-I527 WeakPolarHBondContact CA-O 3.4Å; S518-I527 PolarHBondContact N-O 2.96Å; S518-I527 PolarHBondContact O-N 3.32Å; I527-V535 HydrophobicContact CG2-CG1 3.42Å; I527-V535 VanDerWaalsContact CG2-CG1 3.42Å; I527-R536 WeakPolarHBondContact CA-O 3.3Å; I527-M537 HydrophobicContact CD1-CB 3.49Å; I527-M537 VanDerWaalsContact CD1-CB 3.49Å; I527-M537 HydrophobicContact CD1-CG 3.55Å; I527-M537 HydrophobicContact CD1-SD 4.37Å
528	S	98.4	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.8	171.2	48.5	0	0	0	0	112.4	H510 V535 R536 W538	H510-S528 PolarHBondContact CD2-OG 2.88Å; H510-S528 PolarHBondContact NE2-OG 3.36Å; S528-V535 WeakPolarHBondContact O-CA 3.44Å; S528-R536 PolarHBondContact N-O 2.75Å; S528-R536 PolarHBondContact O-N 3.31Å; S528-R536 PolarHBondContact OG-O 2.93Å; S528-W538 PolarHBondContact OG-NE1 3.5Å
529	S	97.6	Very high	96.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.7	174.3	-65	0	0	0	0	109.3	C202 G203 S214 R515 D516	C202-S529 PolarHBondContact O-OG 2.98Å; G203-S529 WeakPolarHBondContact CA-OG 3.44Å; S214-S529 PolarHBondContact OG-OG 3.46Å; S214-S529 VanDerWaalsContact OG-OG 3.05Å; R515-S529 PolarHBondContact N-O 2.82Å; D516-S529 PolarHBondContact N-O 2.76Å; D516-S529 PolarHBondContact O-N 2.75Å
530	S	96.6	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	158.5	-166	178.7	0	0	0	0	113.7	A200 H510 A512 C513 D532 G533	A200-S530 VanDerWaalsContact CB-O 3.29Å; A200-S530 WeakPolarHBondContact CB-O 3.42Å; A200-S530 PolarHBondContact N-O 3.22Å; H510-S530 WeakPolarHBondContact CE1-CB 3.22Å; H510-S530 WeakPolarHBondContact ND1-CB 3.35Å; H510-S530 PolarHBondContact ND1-OG 3Å; A512-S530 PolarHBondContact O-OG 2.95Å; A512-S530 VanDerWaalsContact O-OG 3.09Å; C513-S530 WeakPolarHBondContact O-CA 3.41Å; C513-S530 PolarHBondContact O-OG 2.95Å; S530-D532 WeakPolarHBondContact CB-OD1 3.49Å; S530-D532 PolarHBondContact O-N 3.24Å; S530-D532 PolarHBondContact OG-N 3.22Å; S530-D532 PolarHBondContact OG-OD1 3.1Å; S530-D532 VanDerWaalsContact OG-OD1 3.12Å; S530-G533 PolarHBondContact O-N 2.65Å; S530-G533 VanDerWaalsContact O-N 3.13Å
531	W	95.1	Very high	95.6	Very high	24 Å²	24	27.3 Å²	27.3	9%	0.091	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-6.7	176.7	-76.6	24.5	0	0	0	114	W111 K199 F201 W244 H466 T467 A512 C513 G533	W111-W531 AromaticContact CD1-CE3 3.57Å; W111-W531 AromaticContact CD1-CZ3 3.64Å; W111-W531 HydrophobicContact CD2-CE3 4.49Å; W111-W531 AromaticContact CE2-CE3 3.85Å; W111-W531 HydrophobicContact CG-CE3 4.32Å; W111-W531 AromaticContact NE1-CE3 3.22Å; W111-W531 AromaticContact NE1-CZ3 3.34Å; W111-W531 VanDerWaalsContact NE1-CZ3 3.34Å; K199-W531 HydrophobicContact CB-CB 4.18Å; K199-W531 HydrophobicContact CB-CD2 4.33Å; K199-W531 HydrophobicContact CB-CG 3.94Å; K199-W531 HydrophobicContact CD-CD2 3.9Å; K199-W531 HydrophobicContact CD-CE3 3.78Å; K199-W531 HydrophobicContact CD-CG 4.26Å; K199-W531 HydrophobicContact CD-CZ3 4.22Å; K199-W531 HydrophobicContact CG-CB 3.99Å; K199-W531 HydrophobicContact CG-CD2 4.22Å; K199-W531 HydrophobicContact CG-CE3 4.46Å; K199-W531 HydrophobicContact CG-CG 4.04Å; F201-W531 AromaticContact CE1-CE2 3.97Å; F201-W531 AromaticContact CE1-CZ2 3.58Å; F201-W531 HydrophobicContact CE1-CZ2 3.58Å; F201-W531 AromaticContact CE1-NE1 3.82Å; F201-W531 HydrophobicContact CE2-CZ2 4.4Å; F201-W531 AromaticContact CE2-NE1 3.94Å; F201-W531 AromaticContact CZ-CE2 3.7Å; F201-W531 HydrophobicContact CZ-CH2 4.37Å; F201-W531 AromaticContact CZ-CZ2 3.44Å; F201-W531 HydrophobicContact CZ-CZ2 3.44Å; F201-W531 VanDerWaalsContact CZ-CZ2 3.44Å; F201-W531 AromaticContact CZ-NE1 3.7Å; W244-W531 HydrophobicContact CH2-CH2 4.35Å; W244-W531 HydrophobicContact CH2-CZ2 4.26Å; H466-W531 HydrophobicContact CB-CE3 4.39Å; H466-W531 HydrophobicContact CB-CH2 3.93Å; H466-W531 HydrophobicContact CB-CZ3 3.69Å; H466-W531 WeakPolarHBondContact O-CH2 3.02Å; T467-W531 VanDerWaalsContact CB-CZ2 3.46Å; T467-W531 HydrophobicContact CG2-CZ2 4.07Å; A512-W531 HydrophobicContact CB-CB 4.14Å; C513-W531 HydrophobicContact CB-CB 4.37Å; C513-W531 HydrophobicContact CB-CG 4.35Å; C513-W531 PolarHBondContact O-N 3.4Å; W531-G533 PolarHBondContact O-N 2.79Å
532	D	93.9	Very high	95	Very high	41 Å²	41	33.7 Å²	33.7	22%	0.219	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	5.3	167.1	62.5	11.7	0	0	0	112.9	H510 D511 A512 S530 A534 R536	H510-D532 VanDerWaalsContact CA-OD2 3.24Å; H510-D532 WeakPolarHBondContact CA-OD2 3.4Å; H510-D532 WeakPolarHBondContact CB-OD2 3.29Å; H510-D532 IonicContact CE1-OD1 2.81Å; H510-D532 IonicContact CG-OD2 3.19Å; H510-D532 VanDerWaalsContact ND1-CG 3.34Å; H510-D532 IonicContact ND1-OD1 2.71Å; H510-D532 PolarHBondContact ND1-OD1 3.36Å; H510-D532 IonicContact ND1-OD2 3.03Å; H510-D532 PolarHBondContact ND1-OD2 3.37Å; D511-D532 HydrophobicContact CB-CB 4.21Å; D511-D532 PolarHBondContact N-OD2 2.89Å; A512-D532 HydrophobicContact CB-CB 3.97Å; S530-D532 WeakPolarHBondContact CB-OD1 3.49Å; S530-D532 PolarHBondContact O-N 3.24Å; S530-D532 PolarHBondContact OG-N 3.22Å; S530-D532 PolarHBondContact OG-OD1 3.1Å; S530-D532 VanDerWaalsContact OG-OD1 3.12Å; D532-A534 PolarHBondContact O-N 2.99Å; D532-A534 WeakPolarHBondContact OD1-CB 3.37Å; D532-A534 PolarHBondContact OD1-N 3.24Å; D532-R536 IonicContact OD1-NH1 3.87Å; D532-R536 IonicContact OD2-CZ 3.39Å; D532-R536 IonicContact OD2-NH1 3.21Å; D532-R536 PolarHBondContact OD2-NH1 3.38Å
533	G	93.8	Very high	93.5	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	16%	0.155	C	C	.	.	S	Bend	trans	75	-5.4	-179.7	0	0	0	0	0	114	T195 Y196 Q198 S530 W531	T195-G533 WeakPolarHBondContact CA-O 3.37Å; Y196-G533 PolarHBondContact N-O 2.91Å; Q198-G533 WeakPolarHBondContact O-CA 3.39Å; S530-G533 PolarHBondContact O-N 2.65Å; S530-G533 VanDerWaalsContact O-N 3.13Å; W531-G533 PolarHBondContact O-N 2.79Å
534	A	96.1	Very high	91.7	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.033	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	147.3	-178.6	0	0	0	0	0	112.3	D194 H510 D532 R536	D194-A534 WeakPolarHBondContact O-CA 3.48Å; H510-A534 PolarHBondContact CE1-O 3.2Å; D532-A534 PolarHBondContact O-N 2.99Å; D532-A534 WeakPolarHBondContact OD1-CB 3.37Å; D532-A534 PolarHBondContact OD1-N 3.24Å; A534-R536 HydrophobicContact CB-CG 4.32Å; A534-R536 VanDerWaalsContact CB-NH1 3.34Å
535	V	97.6	Very high	90	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.7	158.9	176.1	0	0	0	0	108.1	K193 D194 Y196 F212 F231 I527 S528	K193-V535 HydrophobicContact CB-CG1 4.44Å; K193-V535 WeakPolarHBondContact CB-O 3.27Å; K193-V535 PolarHBondContact N-O 2.73Å; D194-V535 HydrophobicContact CB-CB 4.32Å; D194-V535 PolarHBondContact N-O 2.64Å; D194-V535 PolarHBondContact O-N 2.86Å; Y196-V535 HydrophobicContact CE2-CG2 3.8Å; Y196-V535 WeakPolarHBondContact OH-CG2 3.35Å; F212-V535 HydrophobicContact CE1-CG1 4.26Å; F231-V535 HydrophobicContact CZ-CG1 4.02Å; I527-V535 HydrophobicContact CG2-CG1 3.42Å; I527-V535 VanDerWaalsContact CG2-CG1 3.42Å; S528-V535 WeakPolarHBondContact O-CA 3.44Å
536	R	98.1	Very high	87.8	Confident	37 Å²	37	41.2 Å²	41.2	14%	0.14	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.2	-177.7	-66	180	168.3	106.5	-21.2	110	V190 S191 G509 H510 D511 I527 S528 D532 A534 W538	V190-R536 HydrophobicContact CG2-CB 3.91Å; V190-R536 HydrophobicContact CG2-CG 4.37Å; S191-R536 CarbonylContact O-C 3.55Å; S191-R536 WeakPolarHBondContact O-CA 3.4Å; G509-R536 VanDerWaalsContact O-CD 3.3Å; G509-R536 WeakPolarHBondContact O-CD 3.49Å; G509-R536 PolarHBondContact O-NE 3.4Å; G509-R536 PolarHBondContact O-NH1 3.25Å; G509-R536 PolarHBondContact O-NH2 3.43Å; G509-R536 VanDerWaalsContact O-NH2 3.1Å; H510-R536 PolarHBondContact ND1-NH1 2.89Å; D511-R536 IonicContact OD2-CZ 2.72Å; D511-R536 IonicContact OD2-NH1 2.71Å; D511-R536 IonicContact OD2-NH2 2.68Å; D511-R536 PolarHBondContact OD2-NH2 3.18Å; I527-R536 WeakPolarHBondContact CA-O 3.3Å; S528-R536 PolarHBondContact N-O 2.75Å; S528-R536 PolarHBondContact O-N 3.31Å; S528-R536 PolarHBondContact OG-O 2.93Å; D532-R536 IonicContact OD1-NH1 3.87Å; D532-R536 IonicContact OD2-CZ 3.39Å; D532-R536 IonicContact OD2-NH1 3.21Å; D532-R536 PolarHBondContact OD2-NH1 3.38Å; A534-R536 HydrophobicContact CB-CG 4.32Å; A534-R536 VanDerWaalsContact CB-NH1 3.34Å; R536-W538 HydrophobicContact CB-CZ2 4.36Å; R536-W538 PolarHBondContact O-NE1 3.09Å
537	M	97.9	Very high	85.7	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.039	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.2	175.5	-179.4	-173	94.7	0	0	110.3	S191 K193 K525 I526 I527 E539	S191-M537 PolarHBondContact N-O 3.12Å; S191-M537 PolarHBondContact O-N 3.2Å; S191-M537 PolarHBondContact OG-O 3.5Å; K193-M537 HydrophobicContact CD-CB 4.16Å; K193-M537 WeakPolarHBondContact CE-SD 3.47Å; K193-M537 HydrophobicContact CG-CB 3.68Å; K525-M537 HydrophobicContact CD-CE 4.5Å; K525-M537 HydrophobicContact CD-SD 4.18Å; I526-M537 CarbonylContact O-C 3.51Å; I526-M537 WeakPolarHBondContact O-CA 3.43Å; I527-M537 HydrophobicContact CD1-CB 3.49Å; I527-M537 VanDerWaalsContact CD1-CB 3.49Å; I527-M537 HydrophobicContact CD1-CG 3.55Å; I527-M537 HydrophobicContact CD1-SD 4.37Å; M537-E539 HydrophobicContact CE-CB 4.42Å; M537-E539 HydrophobicContact CE-CG 4.29Å; M537-E539 WeakPolarHBondContact CE-OE2 3.49Å
538	W	97.6	Very high	83.3	Confident	5 Å²	5	50.5 Å²	50.5	2%	0.019	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133	-179.3	-44.2	77	0	0	0	109.1	P187 Y189 V190 I493 L507 H510 K525 I526 S528 R536	P187-W538 HydrophobicContact CB-CB 3.9Å; Y189-W538 VanDerWaalsContact O-CA 3.3Å; Y189-W538 WeakPolarHBondContact O-CA 3.48Å; V190-W538 HydrophobicContact CB-CD2 4.15Å; V190-W538 HydrophobicContact CB-CE3 3.52Å; V190-W538 HydrophobicContact CB-CH2 4.07Å; V190-W538 HydrophobicContact CB-CZ3 3.49Å; V190-W538 VanDerWaalsContact CB-CZ3 3.49Å; V190-W538 HydrophobicContact CG1-CZ3 4.29Å; V190-W538 HydrophobicContact CG2-CD2 3.78Å; V190-W538 HydrophobicContact CG2-CE3 3.61Å; V190-W538 HydrophobicContact CG2-CH2 3.62Å; V190-W538 HydrophobicContact CG2-CZ2 3.75Å; V190-W538 HydrophobicContact CG2-CZ3 3.55Å; I493-W538 HydrophobicContact CD1-CD2 4.1Å; I493-W538 HydrophobicContact CD1-CG 4.21Å; I493-W538 HydrophobicContact CD1-CZ2 3.99Å; I493-W538 VanDerWaalsContact CD1-NE1 3.26Å; L507-W538 HydrophobicContact CB-CD2 4.09Å; L507-W538 HydrophobicContact CB-CE3 3.55Å; L507-W538 HydrophobicContact CB-CH2 4.15Å; L507-W538 HydrophobicContact CB-CZ3 3.57Å; L507-W538 HydrophobicContact CD1-CB 3.92Å; L507-W538 HydrophobicContact CD1-CD2 3.92Å; L507-W538 HydrophobicContact CD1-CE3 4.01Å; L507-W538 HydrophobicContact CD1-CG 3.87Å; L507-W538 HydrophobicContact CG-CE3 4.29Å; H510-W538 AromaticContact CD2-CZ2 3.8Å; K525-W538 WeakPolarHBondContact CA-O 3.42Å; I526-W538 HydrophobicContact CB-CB 4.27Å; I526-W538 PolarHBondContact N-O 2.99Å; I526-W538 PolarHBondContact O-N 3.49Å; S528-W538 PolarHBondContact OG-NE1 3.5Å; R536-W538 HydrophobicContact CB-CZ2 4.36Å; R536-W538 PolarHBondContact O-NE1 3.09Å
539	E	94.9	Very high	80.8	Confident	37 Å²	37	55.7 Å²	55.7	17%	0.173	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.9	-180	60.1	-175.7	-171.4	0	0	109.9	P187 N188 Y189 K525 M537 R541	P187-E539 WeakPolarHBondContact CA-O 3.47Å; N188-E539 PolarHBondContact N-O 3.49Å; N188-E539 VanDerWaalsContact N-O 3.13Å; N188-E539 PolarHBondContact OD1-O 2.96Å; Y189-E539 HydrophobicContact CD1-CG 4.22Å; Y189-E539 PolarHBondContact N-O 3.44Å; Y189-E539 PolarHBondContact O-N 2.98Å; Y189-E539 VanDerWaalsContact O-N 3.09Å; K525-E539 HydrophobicContact CG-CB 4.29Å; M537-E539 HydrophobicContact CE-CB 4.42Å; M537-E539 HydrophobicContact CE-CG 4.29Å; M537-E539 WeakPolarHBondContact CE-OE2 3.49Å; E539-R541 HydrophobicContact CG-CG 4.34Å; E539-R541 IonicContact OE1-CZ 3.6Å; E539-R541 IonicContact OE1-NE 3.37Å; E539-R541 PolarHBondContact OE1-NE 3.26Å; E539-R541 IonicContact OE1-NH2 2.87Å; E539-R541 PolarHBondContact OE1-NH2 3.47Å
540	H	93.9	Very high	78.4	Confident	63 Å²	63	64.2 Å²	64.2	29%	0.292	30%	0.302	S	S	.	.			trans	-82	126	169.8	-174	79.2	0	0	0	110.2	F185 L186 N188	F185-H540 HydrophobicContact CB-CB 4.25Å; F185-H540 AromaticContact CD1-CD2 3.79Å; F185-H540 AromaticContact CD1-NE2 3.56Å; F185-H540 WeakPolarHBondContact O-CB 3.27Å; L186-H540 PolarHBondContact O-ND1 3.07Å; N188-H540 WeakPolarHBondContact OD1-CA 3.34Å
541	R	91.8	Very high	76	Confident	111 Å²	111	70.5 Å²	70.5	42%	0.419	33%	0.332	S	S	.	.			trans	-121.9	138	165.4	-65	-168.9	-178.9	-175.7	0	109.6	N188 Y189 E539 T543	N188-R541 PolarHBondContact ND2-O 2.88Å; N188-R541 PolarHBondContact OD1-N 2.92Å; N188-R541 PolarHBondContact OD1-O 3.31Å; Y189-R541 HydrophobicContact CD1-CG 4.27Å; Y189-R541 VanDerWaalsContact CD1-NE 3.31Å; Y189-R541 HydrophobicContact CG-CG 4.02Å; Y189-R541 VanDerWaalsContact CZ-NH1 3.3Å; E539-R541 HydrophobicContact CG-CG 4.34Å; E539-R541 IonicContact OE1-CZ 3.6Å; E539-R541 IonicContact OE1-NE 3.37Å; E539-R541 PolarHBondContact OE1-NE 3.26Å; E539-R541 IonicContact OE1-NH2 2.87Å; E539-R541 PolarHBondContact OE1-NH2 3.47Å; R541-T543 PolarHBondContact O-N 3.49Å
542	Q	82.3	Confident	73.7	Confident	162 Å²	162	77.5 Å²	77.5	76%	0.757	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-69.3	116.1	165.9	-68.3	179.6	-13.8	0	0	107.7	H544	Q542-H544 PolarHBondContact O-N 3.26Å
543	T	63.2	Low	71.3	Confident	67 Å²	67	82.1 Å²	82.1	41%	0.411	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-65.3	124.4	167	41.6	0	0	0	0	108.2	R541 E548	R541-T543 PolarHBondContact O-N 3.49Å; T543-E548 WeakPolarHBondContact CB-OE1 3.27Å; T543-E548 HydrophobicContact CG2-CG 4.29Å; T543-E548 PolarHBondContact OG1-OE1 3.42Å
544	H	56.1	Low	68.7	Low	107 Å²	107	95.8 Å²	95.8	50%	0.495	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-77.3	137.8	168.4	-164.1	-90.6	0	0	0	107.9	Q542 L546 E547 E548	Q542-H544 PolarHBondContact O-N 3.26Å; H544-L546 PolarHBondContact O-N 3.03Å; H544-E547 HydrophobicContact CB-CG 4.31Å; H544-E547 PolarHBondContact O-N 3.12Å; H544-E548 PolarHBondContact O-N 3.25Å
545	P	54.2	Low	67.3	Low	87 Å²	87	100.4 Å²	100.4	57%	0.565	45%	0.454	S	S	*	.	H	α-helix	trans	-58.9	-10.9	-177.6	-28.6	36.1	0	0	0	115.9
546	L	49.9	Very low	65.7	Low	110 Å²	110	105.6 Å²	105.6	58%	0.576	48%	0.478	S	S	*	.	H	α-helix	trans	-91.3	-7.9	175.2	-59.7	176.2	0	0	0	113.6	H544 R550	H544-L546 PolarHBondContact O-N 3.03Å; L546-R550 WeakPolarHBondContact O-CD 3.3Å; L546-R550 WeakPolarHBondContact O-CG 3.41Å
547	E	52.2	Low	63.9	Low	105 Å²	105	109.4 Å²	109.4	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-98	-36.4	176.2	-63.6	-174.9	134.2	0	0	110.8	H544 E549 R550 E551	H544-E547 HydrophobicContact CB-CG 4.31Å; H544-E547 PolarHBondContact O-N 3.12Å; E547-E549 VanDerWaalsContact C-N 3.28Å; E547-E549 PolarHBondContact O-N 3Å; E547-R550 CarbonylContact O-C 3.18Å; E547-R550 WeakPolarHBondContact O-CA 3.36Å; E547-R550 WeakPolarHBondContact O-CB 3.2Å; E547-R550 PolarHBondContact O-N 3.28Å; E547-E551 PolarHBondContact O-N 2.91Å
548	E	48.9	Very low	61.9	Low	90 Å²	90	115.4 Å²	115.4	42%	0.421	52%	0.524	S	S	.	.	H	α-helix	trans	-55.3	-46	169.3	-63.4	175.4	164.5	0	0	110.4	T543 H544 R550 E551 E552	T543-E548 WeakPolarHBondContact CB-OE1 3.27Å; T543-E548 HydrophobicContact CG2-CG 4.29Å; T543-E548 PolarHBondContact OG1-OE1 3.42Å; H544-E548 PolarHBondContact O-N 3.25Å; E548-R550 PolarHBondContact O-N 3.32Å; E548-E551 PolarHBondContact O-N 3.45Å; E548-E552 PolarHBondContact O-N 3.25Å
549	E	45.8	Very low	59.7	Low	109 Å²	109	122.3 Å²	122.3	51%	0.509	56%	0.556	S	S	.	*	H	α-helix	trans	-60.7	-12.6	172.4	-105.1	-146.9	-119.7	0	0	115	E547 K553	E547-E549 VanDerWaalsContact C-N 3.28Å; E547-E549 PolarHBondContact O-N 3Å; E549-K553 WeakPolarHBondContact O-CD 3.24Å; E549-K553 WeakPolarHBondContact O-CG 3.09Å; E549-K553 PolarHBondContact O-NZ 2.75Å; E549-K553 IonicContact OE2-NZ 3.72Å; E549-K553 PolarHBondContact OE2-NZ 3.43Å
550	R	46.9	Very low	57.3	Low	180 Å²	180	128 Å²	128	68%	0.679	58%	0.581	S	S	*	*	H	α-helix	trans	-102.9	-28.7	176.6	-70.4	174.7	167.3	-167.9	-3.3	112.6	L546 E547 E548	L546-R550 WeakPolarHBondContact O-CD 3.3Å; L546-R550 WeakPolarHBondContact O-CG 3.41Å; E547-R550 CarbonylContact O-C 3.18Å; E547-R550 WeakPolarHBondContact O-CA 3.36Å; E547-R550 WeakPolarHBondContact O-CB 3.2Å; E547-R550 PolarHBondContact O-N 3.28Å; E548-R550 PolarHBondContact O-N 3.32Å
551	E	46.4	Very low	54.7	Low	132 Å²	132	132.6 Å²	132.6	62%	0.617	60%	0.602	S	S	*	*	H	α-helix	trans	-80.1	-34.9	175.5	-65.6	-169.7	153.8	0	0	111.4	E547 E548 K553 R554	E547-E551 PolarHBondContact O-N 2.91Å; E548-E551 PolarHBondContact O-N 3.45Å; E551-K553 PolarHBondContact O-N 3.32Å; E551-R554 PolarHBondContact O-N 2.81Å
552	E	46.5	Very low	51.9	Low	171 Å²	171	134.3 Å²	134.3	80%	0.799	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-6.6	169.3	-71.4	-166.7	147	0	0	114.3	E548	E548-E552 PolarHBondContact O-N 3.25Å
553	K	43.7	Very low	49.4	Very low	138 Å²	138	132 Å²	132	60%	0.6	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	21.8	-179	-59.6	-172	-175.6	92.8	0	112.8	E549 E551	E549-K553 WeakPolarHBondContact O-CD 3.24Å; E549-K553 WeakPolarHBondContact O-CG 3.09Å; E549-K553 PolarHBondContact O-NZ 2.75Å; E549-K553 IonicContact OE2-NZ 3.72Å; E549-K553 PolarHBondContact OE2-NZ 3.43Å; E551-K553 PolarHBondContact O-N 3.32Å
554	R	38.5	Very low	48.1	Very low	288 Å²	288	137.9 Å²	137.9	100%	1.087	62%	0.622	S	S	*	*			trans	-131.4	0	179.3	-78.4	-177.1	164.4	-167.6	-5.1	112.5	E551	E551-R554 PolarHBondContact O-N 2.81Å

Retrieved 554 of 554 residues in 1368.9 ms (Link to these results)

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