A0A096N5I8_PAPAN Loading...

Leucine-rich repeat protein SHOC-2

Core component of the SHOC2-MRAS-PP1c (SMP) holophosphatase complex that regulates activation of the MAPK pathway. Acts as a scaffolding protein in the SMP complex. The SMP complex specifically dephosphorylates the inhibitory phosphorylation at 'Ser-259' of RAF1 kinase, 'Ser-365' of BRAF kinase and 'Ser-214' of ARAF kinase, stimulating their kinase activities. The SMP complex enhances the dephosphorylation activity and substrate specificity of PP1c.

AlphaFold DB , UniProt , Accession A0A096N5I8, Species PAPAN (Papio anubis, Olive baboon), Gene SHOC2, Length 601 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	36.5	Very low	31.9	Very low	231 Å²	231	137.7 Å²	137.7	100%	1.138	77%	0.771	S	S	*	*				0	97.8	0	-61.8	-177.9	-166.3	0	0	106
2	S	32.1	Very low	31.6	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	77%	0.774	S	S	*	*				61.8	93.3	90.9	63.2	0	0	0	0	110.4
3	S	31.6	Very low	31.3	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	78%	0.775	S	S	*	*				76.9	141.2	86.2	68.9	0	0	0	0	112.7
4	S	34	Very low	30.9	Very low	92 Å²	92	147.6 Å²	147.6	64%	0.643	78%	0.781	S	S	*	*			cis	179.6	175.7	-8.1	46.5	0	0	0	0	108.2
5	L	34.4	Very low	31.1	Very low	175 Å²	175	147.7 Å²	147.7	92%	0.916	78%	0.782	S	S	*	*			trans	75	136.3	163.9	-54.3	150.7	0	0	0	117
6	G	31.7	Very low	31.5	Very low	67 Å²	67	145.2 Å²	145.2	69%	0.691	78%	0.777	S	S	*	*			cis	167.8	-179.7	-8.7	0	0	0	0	0	114.7
7	K	32.1	Very low	31.2	Very low	207 Å²	207	147.9 Å²	147.9	90%	0.9	78%	0.78	S	S	*	*			trans	91.6	96.2	170.2	-59.1	-171.9	176.4	-178	0	119.2
8	E	29.6	Very low	31.5	Very low	159 Å²	159	147.1 Å²	147.1	74%	0.743	78%	0.782	S	S	*	*				-1.5	147.6	116.1	-74.2	-172.1	-176.5	0	0	116.6
9	K	31.8	Very low	31.4	Very low	158 Å²	158	145.9 Å²	145.9	69%	0.687	78%	0.783	S	S	*	*			cis	-170.9	174	26.6	-120.6	166.3	178.9	143	0	106.9
10	D	29.2	Very low	31.2	Very low	129 Å²	129	144.7 Å²	144.7	69%	0.69	79%	0.786	S	S	*	*			cis	-161.4	-179.6	9.2	-140.8	-40	0	0	0	111
11	S	28	Very low	31.2	Very low	91 Å²	91	142.2 Å²	142.2	64%	0.636	79%	0.786	S	S	*	*			trans	86.1	104.2	155.3	72.5	0	0	0	0	121.2
12	K	28.3	Very low	30.6	Very low	185 Å²	185	140.8 Å²	140.8	80%	0.804	77%	0.773	S	S	*	*				58.4	139.9	123.1	-64.9	179.8	172.3	-156.8	0	120.1
13	E	27.1	Very low	30.4	Very low	168 Å²	168	145.8 Å²	145.8	79%	0.785	79%	0.786	S	S	*	*			cis	-150	166.6	-0.8	-137.4	158.2	136.7	0	0	110.1
14	K	26.3	Very low	30.1	Very low	198 Å²	198	151 Å²	151	86%	0.861	79%	0.789	S	S	*	*			trans	-99.4	147.1	-171.5	-61.6	175.4	173.1	174.2	0	112.8
15	D	33.3	Very low	29.6	Very low	150 Å²	150	154 Å²	154	80%	0.802	79%	0.793	S	S	*	*			trans	-38.6	150.9	142.2	-80.8	-56	0	0	0	111.7
16	P	37.9	Very low	29.2	Very low	107 Å²	107	154.6 Å²	154.6	70%	0.695	79%	0.788	S	S	*	*				-165.5	176.4	61.4	44.3	-22	0	0	0	120.9
17	K	27	Very low	28.8	Very low	192 Å²	192	157.9 Å²	157.9	84%	0.835	79%	0.785	S	S	*	*			trans	63.6	120	138.8	-80.3	170.1	179.9	-178.7	0	122.6
18	V	35.9	Very low	28.4	Very low	133 Å²	133	152.6 Å²	152.6	81%	0.806	78%	0.78	S	S	*	*			trans	9.4	132	131.1	-169	0	0	0	0	118.7
19	P	29.5	Very low	28.2	Very low	125 Å²	125	153.3 Å²	153.3	81%	0.812	78%	0.781	S	S	*	*			trans	-130.1	179.5	135.2	37.4	-26.3	0	0	0	114.7
20	S	27.8	Very low	27.9	Very low	120 Å²	120	150 Å²	150	84%	0.839	78%	0.783	S	S	*	*			trans	-99.1	-179.5	-162.2	54.1	0	0	0	0	115.4
21	A	31.3	Very low	27.7	Very low	94 Å²	94	149.5 Å²	149.5	78%	0.777	79%	0.79	S	S	*	*			trans	-70	130.6	-171.8	0	0	0	0	0	115.8
22	K	24.8	Very low	27.4	Very low	200 Å²	200	149 Å²	149	87%	0.87	80%	0.798	S	S	*	*				172.5	112.4	127.2	-99.6	176.8	180	178.6	0	109.9
23	E	27.8	Very low	27.1	Very low	204 Å²	204	143.5 Å²	143.5	95%	0.953	80%	0.795	S	S	*	*			trans	-162.5	152.2	143.9	-115.4	159.9	-155	0	0	110.9
24	R	25.3	Very low	26.9	Very low	216 Å²	216	146 Å²	146	82%	0.815	80%	0.803	S	S	*	*			trans	-127.2	139.5	-170.8	-99.5	-172.4	178.6	-179.4	-2	110.1
25	E	23.2	Very low	26.7	Very low	157 Å²	157	139.9 Å²	139.9	73%	0.734	80%	0.797	S	S	*	*			trans	70.7	149.7	146.1	-64.7	173.9	159.6	0	0	121.2
26	K	24.8	Very low	26.2	Very low	187 Å²	187	141.6 Å²	141.6	81%	0.813	80%	0.797	S	S	*	*			trans	86.4	142.5	165.9	-58.4	-179.3	176.6	176.5	0	119.3
27	E	24.3	Very low	25.5	Very low	135 Å²	135	144 Å²	144	63%	0.631	80%	0.799	S	S	*	*			cis	-137.7	144.4	-31.7	-77.4	-128.5	150.4	0	0	106.9	K29	E27-K29 WeakPolarHBondContact OE2-CD 2.8Å; E27-K29 IonicContact OE2-NZ 3.31Å
28	A	22.7	Very low	25.2	Very low	97 Å²	97	140.8 Å²	140.8	80%	0.802	80%	0.801	S	S	*	*			cis	100.4	20.5	6.6	0	0	0	0	0	119.7
29	K	25.5	Very low	24.7	Very low	174 Å²	174	144.1 Å²	144.1	76%	0.757	81%	0.805	S	S	*	*			trans	-151.2	151.5	171.7	-100.2	159.6	-173.2	169.8	0	112.1	E27	E27-K29 WeakPolarHBondContact OE2-CD 2.8Å; E27-K29 IonicContact OE2-NZ 3.31Å
30	A	25.7	Very low	24.4	Very low	87 Å²	87	146.9 Å²	146.9	72%	0.719	81%	0.806	S	S	*	*			cis	-153.8	150.9	-3.7	0	0	0	0	0	109.6
31	S	24.2	Very low	24.1	Very low	120 Å²	120	150.3 Å²	150.3	84%	0.839	81%	0.806	S	S	*	*				177.7	145.8	97.5	40	0	0	0	0	108
32	G	22.6	Very low	23.6	Very low	79 Å²	79	154.9 Å²	154.9	81%	0.814	81%	0.811	S	S	*	*			cis	98.4	112.3	4.6	0	0	0	0	0	112.1
33	G	21.6	Very low	23.6	Very low	71 Å²	71	150.7 Å²	150.7	73%	0.732	81%	0.805	S	S	*	*			cis	-144.8	-137.1	-5.3	0	0	0	0	0	109.7
34	F	23.2	Very low	23.4	Very low	219 Å²	219	151 Å²	151	96%	0.961	80%	0.803	S	S	*	*			cis	-170.4	151.3	-9	-128.6	-61.6	0	0	0	109
35	G	22.2	Very low	23.3	Very low	71 Å²	71	147.2 Å²	147.2	73%	0.732	80%	0.804	S	S	*	*			trans	-176.5	143.8	175.4	0	0	0	0	0	113.6
36	K	23.7	Very low	23.2	Very low	185 Å²	185	149.7 Å²	149.7	80%	0.804	81%	0.812	S	S	*	*			trans	-99.6	148.5	-159.2	-78.6	-178.7	167	-161.4	0	117.3
37	E	21.5	Very low	23	Very low	159 Å²	159	144.5 Å²	144.5	74%	0.743	81%	0.811	S	S	*	*			trans	37.4	123.5	136.3	-56.9	176.8	109.3	0	0	121.7
38	S	22.5	Very low	22.9	Very low	124 Å²	124	147.9 Å²	147.9	87%	0.867	82%	0.824	S	S	*	*			trans	-154.5	145.4	131.7	-46.3	0	0	0	0	111.4
39	K	23.8	Very low	22.9	Very low	203 Å²	203	151.4 Å²	151.4	88%	0.883	83%	0.83	S	S	*	*			trans	-114.3	121.3	169.6	-74.2	177.3	177.5	172.9	0	110
40	E	23	Very low	22.8	Very low	182 Å²	182	147.8 Å²	147.8	85%	0.85	83%	0.832	S	S	*	*			trans	-136.9	113.4	161.4	-65.8	-162.5	125.7	0	0	108
41	K	22.7	Very low	22.7	Very low	192 Å²	192	153 Å²	153	84%	0.835	84%	0.839	S	S	*	*				69.4	84.9	78.1	-77	-174.2	177.7	172.5	0	113.4
42	E	21.5	Very low	22.7	Very low	190 Å²	190	155.2 Å²	155.2	89%	0.888	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-60.7	130.6	159.3	-63.7	178.9	137.8	0	0	110.9
43	P	24.1	Very low	22.7	Very low	112 Å²	112	155 Å²	155	73%	0.727	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-85.3	124.8	172.8	31.8	-31.1	0	0	0	111.4	T45	P43-T45 PolarHBondContact O-N 2.88Å
44	K	22.8	Very low	22.8	Very low	212 Å²	212	161.5 Å²	161.5	92%	0.922	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-67	126	164.6	-63.8	174	-179.4	174.1	0	109.7
45	T	23.9	Very low	22.8	Very low	135 Å²	135	160.8 Å²	160.8	83%	0.828	84%	0.843	S	S	*	*			trans	-118	134.3	162.3	40.7	0	0	0	0	111.3	P43	P43-T45 PolarHBondContact O-N 2.88Å
46	K	21.2	Very low	22.9	Very low	210 Å²	210	164.7 Å²	164.7	91%	0.913	85%	0.847	S	S	*	*			trans	-80.7	144.1	172.9	-67.4	173.2	177.9	173.5	0	108.5
47	G	20.8	Very low	22.8	Very low	77 Å²	77	161.9 Å²	161.9	79%	0.794	85%	0.85	S	S	*	*			trans	-68.1	158.9	179	0	0	0	0	0	114.3
48	K	21.9	Very low	23	Very low	206 Å²	206	159.2 Å²	159.2	90%	0.896	85%	0.849	S	S	*	*			trans	-145.8	131.2	152.2	-96.5	-173.9	175.7	-178.5	0	107.8
49	D	22.3	Very low	23	Very low	172 Å²	172	158 Å²	158	92%	0.92	85%	0.847	S	S	*	*			trans	-66.2	138.6	173.9	-52.3	-92.5	0	0	0	111.4
50	A	22.9	Very low	23	Very low	97 Å²	97	153.2 Å²	153.2	80%	0.802	85%	0.845	S	S	*	*			trans	-142.9	136.4	157.5	0	0	0	0	0	108.4
51	K	23.9	Very low	23.3	Very low	198 Å²	198	149.8 Å²	149.8	86%	0.861	83%	0.829	S	S	*	*			trans	-68.8	139.4	175.1	-67.5	172.8	173.2	178.8	0	109.8
52	D	24	Very low	23.4	Very low	166 Å²	166	146.6 Å²	146.6	89%	0.888	83%	0.828	S	S	*	*				-179.1	150.5	124.5	-84.8	-23.5	0	0	0	107.6
53	G	24	Very low	23.6	Very low	73 Å²	73	140.5 Å²	140.5	75%	0.753	82%	0.816	S	S	*	*			cis	142.9	10.8	8.7	0	0	0	0	0	114.2
54	K	23.8	Very low	24	Very low	209 Å²	209	138.8 Å²	138.8	91%	0.909	80%	0.804	S	S	*	*			trans	-104.3	131	173.5	-81.3	-170.6	171.1	-172.6	0	111.7
55	K	23.1	Very low	24.4	Very low	203 Å²	203	132.1 Å²	132.1	88%	0.883	79%	0.788	S	S	*	*			trans	-94.9	120.3	169.2	-73.8	177.2	174.5	178	0	108.3
56	D	22.9	Very low	25.2	Very low	154 Å²	154	127.8 Å²	127.8	82%	0.824	76%	0.758	S	S	*	*			trans	-81.3	116.7	156	-68.4	-41.4	0	0	0	108.2	S58	D56-S58 VanDerWaalsContact C-N 3.33Å; D56-S58 PolarHBondContact O-N 3.43Å; D56-S58 VanDerWaalsContact O-N 3.16Å
57	S	22.5	Very low	26	Very low	125 Å²	125	121.3 Å²	121.3	87%	0.874	74%	0.739	S	S	*	*			trans	-87.5	69.8	178.5	52.2	0	0	0	0	111.2
58	S	24.2	Very low	27.2	Very low	103 Å²	103	118.9 Å²	118.9	72%	0.72	71%	0.709	S	S	*	*			trans	-86.3	130	157.8	52	0	0	0	0	109.1	D56 A60	D56-S58 VanDerWaalsContact C-N 3.33Å; D56-S58 PolarHBondContact O-N 3.43Å; D56-S58 VanDerWaalsContact O-N 3.16Å; S58-A60 PolarHBondContact O-N 3.22Å; S58-A60 VanDerWaalsContact O-N 3.15Å
59	A	23.3	Very low	28.1	Very low	100 Å²	100	113.9 Å²	113.9	83%	0.826	69%	0.692	S	S	*	*			trans	-64	116.5	179.8	0	0	0	0	0	109.8	Q61	A59-Q61 PolarHBondContact O-N 3.15Å
60	A	23.2	Very low	29.2	Very low	102 Å²	102	106.6 Å²	106.6	84%	0.843	65%	0.653	S	S	*	*			trans	-63.3	107.6	-173.5	0	0	0	0	0	111.5	S58	S58-A60 PolarHBondContact O-N 3.22Å; S58-A60 VanDerWaalsContact O-N 3.15Å
61	Q	29.3	Very low	29.9	Very low	109 Å²	109	105.7 Å²	105.7	51%	0.509	64%	0.638	S	S	.	*			trans	-67.5	151.2	164.9	-64.7	-166.4	-0.7	0	0	110	A59 G63	A59-Q61 PolarHBondContact O-N 3.15Å; Q61-G63 PolarHBondContact O-N 2.91Å
62	P	25.3	Very low	31.2	Very low	125 Å²	125	97.4 Å²	97.4	81%	0.812	60%	0.603	S	S	*	*			trans	-74.3	63.8	165.1	34.7	-35.4	0	0	0	109.6	V64	P62-V64 PolarHBondContact O-N 3.49Å
63	G	26.6	Very low	32	Very low	62 Å²	62	98.2 Å²	98.2	64%	0.639	60%	0.598	S	S	*	*			trans	-62.2	107.2	160	0	0	0	0	0	106.8	Q61 A65	Q61-G63 PolarHBondContact O-N 2.91Å; G63-A65 PolarHBondContact O-N 3.32Å
64	V	32.3	Very low	33	Very low	76 Å²	76	102.9 Å²	102.9	46%	0.461	59%	0.593	S	S	.	*			trans	-68.8	87.9	175.4	-177.8	0	0	0	0	106.7	P62 F66	P62-V64 PolarHBondContact O-N 3.49Å; V64-F66 PolarHBondContact O-N 3.49Å
65	A	31.1	Very low	33.7	Very low	73 Å²	73	95.5 Å²	95.5	60%	0.603	57%	0.566	S	S	*	*			trans	-46.9	135.7	165.5	0	0	0	0	0	107.3	G63 S67	G63-A65 PolarHBondContact O-N 3.32Å; A65-S67 WeakPolarHBondContact O-CB 3.37Å; A65-S67 PolarHBondContact O-N 2.95Å; A65-S67 PolarHBondContact O-OG 3.16Å
66	F	41.6	Very low	34.2	Very low	44 Å²	44	93.4 Å²	93.4	19%	0.193	57%	0.565	C	S	.	*			trans	-65.3	83	-177.6	-155.2	-73.8	0	0	0	109.5	V64 V68 D267 Q269 R288	V64-F66 PolarHBondContact O-N 3.49Å; F66-V68 HydrophobicContact CD1-CG2 4.19Å; F66-V68 HydrophobicContact CE1-CG2 3.81Å; F66-D267 HydrophobicContact CD1-CB 3.87Å; F66-D267 WeakPolarHBondContact CD1-OD2 3.36Å; F66-D267 HydrophobicContact CE1-CB 3.44Å; F66-D267 VanDerWaalsContact CE1-CB 3.44Å; F66-D267 HydrophobicContact CE2-CB 4.43Å; F66-D267 WeakPolarHBondContact CG-OD2 3.44Å; F66-D267 HydrophobicContact CZ-CB 3.74Å; F66-Q269 VanDerWaalsContact CG-NE2 3.32Å; F66-R288 HydrophobicContact CE2-CB 4.02Å; F66-R288 HydrophobicContact CZ-CB 4.2Å
67	S	36.5	Very low	34.9	Very low	74 Å²	74	90.4 Å²	90.4	52%	0.517	55%	0.554	S	S	.	*			trans	-113	75.9	-173	49.2	0	0	0	0	106.1	A65 D69	A65-S67 WeakPolarHBondContact O-CB 3.37Å; A65-S67 PolarHBondContact O-N 2.95Å; A65-S67 PolarHBondContact O-OG 3.16Å; S67-D69 PolarHBondContact O-N 3.46Å
68	V	46.8	Very low	35.5	Very low	25 Å²	25	88.6 Å²	88.6	15%	0.152	55%	0.546	C	S	.	.			trans	-53.8	129.7	141.4	-175.7	0	0	0	0	105.3	F66 N70 M219 T242	F66-V68 HydrophobicContact CD1-CG2 4.19Å; F66-V68 HydrophobicContact CE1-CG2 3.81Å; V68-N70 PolarHBondContact O-N 3.36Å; V68-M219 HydrophobicContact CG1-CE 3.64Å; V68-M219 HydrophobicContact CG1-SD 4.25Å; V68-T242 HydrophobicContact CB-CG2 4.4Å; V68-T242 HydrophobicContact CG1-CG2 3.85Å; V68-T242 HydrophobicContact CG2-CG2 3.64Å
69	D	39.5	Very low	35.9	Very low	101 Å²	101	90.4 Å²	90.4	54%	0.54	56%	0.556	S	S	.	*			trans	-69.9	79.6	175.1	-170.6	5	0	0	0	109.1	S67 T71	S67-D69 PolarHBondContact O-N 3.46Å; D69-T71 PolarHBondContact O-N 3.36Å; D69-T71 VanDerWaalsContact OD1-CB 3.3Å; D69-T71 WeakPolarHBondContact OD1-CB 3.33Å; D69-T71 PolarHBondContact OD1-N 3.49Å; D69-T71 PolarHBondContact OD1-OG1 3.47Å
70	N	45.5	Very low	36.7	Very low	19 Å²	19	88.9 Å²	88.9	10%	0.102	55%	0.55	C	S	.	.			trans	-74	0.6	174.2	-75.2	-26.4	0	0	0	110.4	V68 I72 R177 Y198 M219 D244	V68-N70 PolarHBondContact O-N 3.36Å; N70-I72 PolarHBondContact O-N 2.97Å; N70-R177 PolarHBondContact O-NH1 3.34Å; N70-Y198 HydrophobicContact CB-CE1 4.27Å; N70-Y198 WeakPolarHBondContact OD1-CE1 3.25Å; N70-M219 WeakPolarHBondContact OD1-CE 3.2Å; N70-D244 PolarHBondContact ND2-OD2 2.97Å
71	T	39.1	Very low	37.6	Very low	79 Å²	79	89.6 Å²	89.6	49%	0.485	54%	0.544	S	S	.	.			trans	-78.3	118.3	173.3	77.3	0	0	0	0	109	D69 K73	D69-T71 PolarHBondContact O-N 3.36Å; D69-T71 VanDerWaalsContact OD1-CB 3.3Å; D69-T71 WeakPolarHBondContact OD1-CB 3.33Å; D69-T71 PolarHBondContact OD1-N 3.49Å; D69-T71 PolarHBondContact OD1-OG1 3.47Å; T71-K73 PolarHBondContact O-N 3.3Å; T71-K73 VanDerWaalsContact O-N 3.15Å
72	I	50.5	Low	38.3	Very low	24 Å²	24	96.6 Å²	96.6	12%	0.123	57%	0.565	C	S	.	*			trans	-54.5	124	153.1	-62.6	167	0	0	0	104.3	N70 R74 Y129 A152 M173 D175	N70-I72 PolarHBondContact O-N 2.97Å; I72-R74 VanDerWaalsContact C-N 3.3Å; I72-R74 WeakPolarHBondContact O-CG 3.44Å; I72-R74 PolarHBondContact O-N 3.47Å; I72-Y129 HydrophobicContact CG2-CE1 4.22Å; I72-A152 HydrophobicContact CD1-CB 4.1Å; I72-M173 HydrophobicContact CD1-CE 3.42Å; I72-M173 VanDerWaalsContact CD1-CE 3.42Å; I72-M173 HydrophobicContact CD1-SD 4.41Å; I72-M173 HydrophobicContact CG1-CE 3.72Å; I72-M173 HydrophobicContact CG1-SD 4.05Å; I72-D175 HydrophobicContact CD1-CB 3.93Å; I72-D175 WeakPolarHBondContact CD1-OD2 3.23Å
73	K	41	Very low	39.6	Very low	182 Å²	182	97.6 Å²	97.6	79%	0.791	56%	0.557	S	S	*	*			trans	-52.4	99.1	174.6	-77.3	-174.1	177	179.6	0	108.3	T71 P75	T71-K73 PolarHBondContact O-N 3.3Å; T71-K73 VanDerWaalsContact O-N 3.15Å; K73-P75 VanDerWaalsContact O-CD 3.31Å; K73-P75 WeakPolarHBondContact O-CD 3.45Å
74	R	45.1	Very low	40.9	Very low	171 Å²	171	103.9 Å²	103.9	65%	0.645	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-68.8	116.5	-174.6	-68.3	178.2	172.4	170.2	-5.4	105.8	I72 N76	I72-R74 VanDerWaalsContact C-N 3.3Å; I72-R74 WeakPolarHBondContact O-CG 3.44Å; I72-R74 PolarHBondContact O-N 3.47Å; R74-N76 PolarHBondContact O-N 2.7Å
75	P	38.8	Very low	42.3	Very low	54 Å²	54	101.4 Å²	101.4	35%	0.351	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-59.4	142.8	168.5	4.3	4.1	0	0	0	107.5	K73 P77	K73-P75 VanDerWaalsContact O-CD 3.31Å; K73-P75 WeakPolarHBondContact O-CD 3.45Å; P75-P77 WeakPolarHBondContact O-CD 3.42Å
76	N	34.2	Very low	44.4	Very low	159 Å²	159	100.7 Å²	100.7	85%	0.85	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-53.2	119.3	178.8	-83.6	-20.1	0	0	0	109.1	R74 A78	R74-N76 PolarHBondContact O-N 2.7Å; N76-A78 PolarHBondContact O-N 3.14Å
77	P	37.6	Very low	46.2	Very low	92 Å²	92	103.3 Å²	103.3	60%	0.597	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-66.1	121.9	177.4	26.6	-32.1	0	0	0	107.9	P75	P75-P77 WeakPolarHBondContact O-CD 3.42Å
78	A	34.9	Very low	48.5	Very low	86 Å²	86	103 Å²	103	71%	0.711	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-54	137.3	163.6	0	0	0	0	0	108.3	N76 G80	N76-A78 PolarHBondContact O-N 3.14Å; A78-G80 VanDerWaalsContact C-N 3.35Å; A78-G80 PolarHBondContact O-N 3.03Å
79	P	31.4	Very low	50.3	Low	141 Å²	141	105.4 Å²	105.4	92%	0.916	57%	0.571	S	S	*	*			trans	-67.8	90.5	-173.3	25.8	-33.7	0	0	0	111.1
80	G	41.3	Very low	52.7	Low	68 Å²	68	100.8 Å²	100.8	70%	0.701	55%	0.546	S	S	*	.			trans	-107.2	124.2	-178.4	0	0	0	0	0	112.1	A78	A78-G80 VanDerWaalsContact C-N 3.35Å; A78-G80 PolarHBondContact O-N 3.03Å
81	T	40.7	Very low	54.8	Low	118 Å²	118	102.7 Å²	102.7	72%	0.724	56%	0.556	S	S	*	*			trans	-60.1	144.9	172.1	48.7	0	0	0	0	111.3	K83	T81-K83 VanDerWaalsContact C-N 3.27Å; T81-K83 PolarHBondContact O-N 3.49Å
82	R	44.8	Very low	57.3	Low	255 Å²	255	106.5 Å²	106.5	96%	0.962	57%	0.566	S	S	*	*			trans	-64.5	79.9	175.6	-72.6	179.6	174.7	169.2	-2.1	111.4
83	K	51.4	Low	59.3	Low	146 Å²	146	108 Å²	108	64%	0.635	57%	0.572	S	S	*	*			trans	-77.8	137.8	168.8	-69.9	-173.6	177.2	-177.5	0	110	T81 S85	T81-K83 VanDerWaalsContact C-N 3.27Å; T81-K83 PolarHBondContact O-N 3.49Å; K83-S85 PolarHBondContact O-N 3.28Å
84	K	54.6	Low	61.8	Low	194 Å²	194	99.4 Å²	99.4	84%	0.843	54%	0.535	S	S	*	.			trans	-71.1	107.8	167.4	-70.3	177.9	179.3	175.4	0	107.2	S86	K84-S86 PolarHBondContact O-N 3.04Å
85	S	62.6	Low	64	Low	25 Å²	25	93.8 Å²	93.8	18%	0.175	52%	0.518	C	S	.	.			trans	-69.1	121.5	-179.8	-164.4	0	0	0	0	111	K83 E89 R110	K83-S85 PolarHBondContact O-N 3.28Å; S85-E89 WeakPolarHBondContact CA-OE2 3.38Å; S85-R110 WeakPolarHBondContact CB-O 3.46Å; S85-R110 PolarHBondContact N-O 3Å
86	S	74.5	Confident	66.6	Low	57 Å²	57	95.8 Å²	95.8	40%	0.399	52%	0.521	S	S	.	.			trans	-78.9	157.8	166.5	73.2	0	0	0	0	109.9	K84 A88 E89 V90	K84-S86 PolarHBondContact O-N 3.04Å; S86-A88 PolarHBondContact O-N 2.89Å; S86-E89 WeakPolarHBondContact O-CB 3.35Å; S86-E89 PolarHBondContact O-N 3.02Å; S86-E89 PolarHBondContact OG-N 3.3Å; S86-V90 PolarHBondContact O-N 3.02Å
87	N	79.5	Confident	69.4	Low	100 Å²	100	88.5 Å²	88.5	54%	0.535	48%	0.482	S	S	.	.	H	α-helix	trans	-59.1	-32.7	176.5	-163	30.7	0	0	0	112	E89 V90 I91	N87-E89 PolarHBondContact O-N 3.47Å; N87-V90 PolarHBondContact O-N 2.72Å; N87-I91 WeakPolarHBondContact O-CG1 3.25Å; N87-I91 PolarHBondContact O-N 3.18Å
88	A	83.6	Confident	72.1	Confident	68 Å²	68	88.7 Å²	88.7	56%	0.562	47%	0.471	S	S	*	.	H	α-helix	trans	-65.4	-34.8	175.4	0	0	0	0	0	113	S86 K92	S86-A88 PolarHBondContact O-N 2.89Å; A88-K92 WeakPolarHBondContact O-CB 3.37Å; A88-K92 PolarHBondContact O-N 3.16Å
89	E	86.4	Confident	74.8	Confident	75 Å²	75	91.5 Å²	91.5	35%	0.35	47%	0.47	S	S	.	.	H	α-helix	trans	-67.8	-39.2	174.1	-73.2	177.9	179.8	0	0	111.8	S85 S86 N87 K92 E93	S85-E89 WeakPolarHBondContact CA-OE2 3.38Å; S86-E89 WeakPolarHBondContact O-CB 3.35Å; S86-E89 PolarHBondContact O-N 3.02Å; S86-E89 PolarHBondContact OG-N 3.3Å; N87-E89 PolarHBondContact O-N 3.47Å; E89-K92 PolarHBondContact O-N 3.03Å; E89-E93 WeakPolarHBondContact O-CG 3.48Å; E89-E93 PolarHBondContact O-N 3.29Å; E89-E93 VanDerWaalsContact O-N 3.14Å
90	V	89.7	Confident	77.8	Confident	3 Å²	3	90.6 Å²	90.6	2%	0.018	45%	0.453	C	S	.	.	H	α-helix	trans	-62.4	-47.5	174.8	-175.3	0	0	0	0	110.4	S86 N87 K92 E93 L94 L107 I112 P116	S86-V90 PolarHBondContact O-N 3.02Å; N87-V90 PolarHBondContact O-N 2.72Å; V90-K92 VanDerWaalsContact C-N 3.3Å; V90-K92 PolarHBondContact O-N 3.06Å; V90-E93 PolarHBondContact O-N 3.5Å; V90-L94 HydrophobicContact CG1-CD1 4.4Å; V90-L94 WeakPolarHBondContact O-CG 3.42Å; V90-L94 PolarHBondContact O-N 2.76Å; V90-L107 HydrophobicContact CG1-CD1 4.08Å; V90-I112 HydrophobicContact CG1-CD1 4.37Å; V90-I112 HydrophobicContact CG2-CD1 3.78Å; V90-I112 HydrophobicContact CG2-CG1 3.85Å; V90-I112 HydrophobicContact CG2-CG2 4.5Å; V90-P116 HydrophobicContact CB-CG 4.36Å; V90-P116 HydrophobicContact CG1-CG 3.93Å
91	I	89.9	Confident	80.3	Confident	60 Å²	60	92.4 Å²	92.4	31%	0.308	45%	0.447	S	S	.	.	H	α-helix	trans	-60.4	-38.9	177.6	-66.7	166.4	0	0	0	111.5	N87 E93 L94 N95 P116	N87-I91 WeakPolarHBondContact O-CG1 3.25Å; N87-I91 PolarHBondContact O-N 3.18Å; I91-E93 PolarHBondContact O-N 3.14Å; I91-L94 PolarHBondContact O-N 3Å; I91-N95 PolarHBondContact O-N 3.11Å; I91-P116 HydrophobicContact CG1-CB 4.17Å; I91-P116 HydrophobicContact CG1-CG 3.87Å
92	K	90.8	Very high	82.8	Confident	158 Å²	158	88.5 Å²	88.5	69%	0.687	43%	0.425	S	S	*	.	H	α-helix	trans	-61.4	-41.7	176.1	-175	175.4	179.8	176.3	0	112.3	A88 E89 V90 N95 K96	A88-K92 WeakPolarHBondContact O-CB 3.37Å; A88-K92 PolarHBondContact O-N 3.16Å; E89-K92 PolarHBondContact O-N 3.03Å; V90-K92 VanDerWaalsContact C-N 3.3Å; V90-K92 PolarHBondContact O-N 3.06Å; K92-N95 PolarHBondContact O-N 3.31Å; K92-K96 WeakPolarHBondContact O-CB 3.36Å; K92-K96 PolarHBondContact O-N 2.75Å
93	E	91.9	Very high	85.3	Confident	55 Å²	55	82 Å²	82	26%	0.257	41%	0.407	S	S	.	.	H	α-helix	trans	-70.8	-34.1	177.5	-62.3	-82.4	-148.7	0	0	112.1	E89 V90 I91 K96 C97 L107 R110	E89-E93 WeakPolarHBondContact O-CG 3.48Å; E89-E93 PolarHBondContact O-N 3.29Å; E89-E93 VanDerWaalsContact O-N 3.14Å; V90-E93 PolarHBondContact O-N 3.5Å; I91-E93 PolarHBondContact O-N 3.14Å; E93-K96 PolarHBondContact O-N 3.1Å; E93-C97 VanDerWaalsContact O-CB 3.25Å; E93-C97 WeakPolarHBondContact O-CB 3.35Å; E93-C97 PolarHBondContact O-N 3.03Å; E93-L107 HydrophobicContact CB-CD2 3.98Å; E93-L107 HydrophobicContact CG-CD2 4.42Å; E93-R110 IonicContact OE1-CZ 2.73Å; E93-R110 IonicContact OE1-NH1 2.7Å; E93-R110 PolarHBondContact OE1-NH1 2.94Å; E93-R110 IonicContact OE1-NH2 3.77Å; E93-R110 PolarHBondContact OE1-NH2 3.28Å
94	L	93.3	Very high	87.4	Confident	3 Å²	3	79 Å²	79	2%	0.016	39%	0.391	C	S	.	.	H	α-helix	trans	-62.7	-48.3	172.3	-65.6	174.4	0	0	0	111.1	V90 I91 K96 C97 R98 L105 L107 P116 S118 I119 L122	V90-L94 HydrophobicContact CG1-CD1 4.4Å; V90-L94 WeakPolarHBondContact O-CG 3.42Å; V90-L94 PolarHBondContact O-N 2.76Å; I91-L94 PolarHBondContact O-N 3Å; L94-K96 PolarHBondContact O-N 3.02Å; L94-C97 PolarHBondContact O-N 3.01Å; L94-R98 PolarHBondContact O-N 2.84Å; L94-L105 HydrophobicContact CD2-CD2 3.6Å; L94-L107 HydrophobicContact CD2-CD1 4.41Å; L94-P116 HydrophobicContact CD1-CB 3.98Å; L94-P116 HydrophobicContact CD1-CG 4.01Å; L94-S118 WeakPolarHBondContact CD1-OG 3.37Å; L94-I119 HydrophobicContact CD2-CD1 3.62Å; L94-L122 HydrophobicContact CB-CD1 4.4Å; L94-L122 HydrophobicContact CD2-CD1 3.57Å
95	N	92.1	Very high	89.4	Confident	52 Å²	52	70.2 Å²	70.2	28%	0.278	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-45	176.2	-72.1	-19.5	0	0	0	111.7	I91 K92 C97 R98 E99	I91-N95 PolarHBondContact O-N 3.11Å; K92-N95 PolarHBondContact O-N 3.31Å; N95-C97 PolarHBondContact O-N 3.21Å; N95-R98 WeakPolarHBondContact O-CB 3.46Å; N95-R98 PolarHBondContact O-N 3.24Å; N95-R98 VanDerWaalsContact O-N 3.16Å; N95-R98 PolarHBondContact OD1-NH1 3.24Å; N95-R98 PolarHBondContact OD1-NH2 2.96Å; N95-E99 WeakPolarHBondContact O-CG 3.36Å; N95-E99 PolarHBondContact O-N 3.07Å
96	K	92.9	Very high	90.9	Very high	96 Å²	96	71.6 Å²	71.6	42%	0.417	36%	0.359	S	S	.	.	H	α-helix	trans	-58.1	-47.3	175.4	-175.2	-172.8	171.6	-165.9	0	111.7	K92 E93 L94 R98 E99 E100	K92-K96 WeakPolarHBondContact O-CB 3.36Å; K92-K96 PolarHBondContact O-N 2.75Å; E93-K96 PolarHBondContact O-N 3.1Å; L94-K96 PolarHBondContact O-N 3.02Å; K96-R98 VanDerWaalsContact C-N 3.25Å; K96-R98 PolarHBondContact O-N 3.42Å; K96-E99 PolarHBondContact O-N 2.76Å; K96-E100 WeakPolarHBondContact CE-OE1 3.42Å; K96-E100 VanDerWaalsContact CE-OE2 3.23Å; K96-E100 WeakPolarHBondContact CE-OE2 3.45Å; K96-E100 HydrophobicContact CG-CG 4.36Å; K96-E100 IonicContact NZ-OE1 2.66Å; K96-E100 IonicContact NZ-OE2 3.78Å; K96-E100 WeakPolarHBondContact O-CB 3.28Å; K96-E100 WeakPolarHBondContact O-CG 3.43Å; K96-E100 PolarHBondContact O-N 3.08Å
97	C	93.6	Very high	91.9	Very high	6 Å²	6	68.9 Å²	68.9	4%	0.041	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-33.9	177.7	-172.5	0	0	0	0	112.7	E93 L94 N95 N101 S102 L105 L122	E93-C97 VanDerWaalsContact O-CB 3.25Å; E93-C97 WeakPolarHBondContact O-CB 3.35Å; E93-C97 PolarHBondContact O-N 3.03Å; L94-C97 PolarHBondContact O-N 3.01Å; N95-C97 PolarHBondContact O-N 3.21Å; C97-N101 PolarHBondContact O-N 3.16Å; C97-S102 PolarHBondContact O-N 3.28Å; C97-L105 HydrophobicContact CB-CD1 4.21Å; C97-L122 HydrophobicContact CB-CD1 4.11Å
98	R	93.1	Very high	92.5	Very high	96 Å²	96	64.7 Å²	64.7	36%	0.362	32%	0.319	S	S	.	.	H	α-helix	trans	-69.3	-47.6	174	-165.8	-176.7	61	-153.3	-11	111.6	L94 N95 K96 N101 E121 L122	L94-R98 PolarHBondContact O-N 2.84Å; N95-R98 WeakPolarHBondContact O-CB 3.46Å; N95-R98 PolarHBondContact O-N 3.24Å; N95-R98 VanDerWaalsContact O-N 3.16Å; N95-R98 PolarHBondContact OD1-NH1 3.24Å; N95-R98 PolarHBondContact OD1-NH2 2.96Å; K96-R98 VanDerWaalsContact C-N 3.25Å; K96-R98 PolarHBondContact O-N 3.42Å; R98-N101 PolarHBondContact O-N 2.78Å; R98-N101 VanDerWaalsContact O-N 3.15Å; R98-E121 IonicContact CZ-OE2 3.58Å; R98-E121 IonicContact NH1-OE2 3.76Å; R98-E121 PolarHBondContact NH1-OE2 3.37Å; R98-L122 HydrophobicContact CB-CD2 3.57Å; R98-L122 HydrophobicContact CG-CD2 4.08Å
99	E	92.9	Very high	92.9	Very high	145 Å²	145	67 Å²	67	68%	0.678	32%	0.316	S	S	*	.	H	α-helix	trans	-66.3	-38.7	-179.2	-73.5	159.8	-154.2	0	0	112.3	N95 K96 N101	N95-E99 WeakPolarHBondContact O-CG 3.36Å; N95-E99 PolarHBondContact O-N 3.07Å; K96-E99 PolarHBondContact O-N 2.76Å; E99-N101 PolarHBondContact O-N 3.21Å
100	E	93.8	Very high	93.1	Very high	122 Å²	122	66.5 Å²	66.5	57%	0.57	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-4.2	174.3	-66.7	177.8	162.2	0	0	113.1	K96 S102	K96-E100 WeakPolarHBondContact CE-OE1 3.42Å; K96-E100 VanDerWaalsContact CE-OE2 3.23Å; K96-E100 WeakPolarHBondContact CE-OE2 3.45Å; K96-E100 HydrophobicContact CG-CG 4.36Å; K96-E100 IonicContact NZ-OE1 2.66Å; K96-E100 IonicContact NZ-OE2 3.78Å; K96-E100 WeakPolarHBondContact O-CB 3.28Å; K96-E100 WeakPolarHBondContact O-CG 3.43Å; K96-E100 PolarHBondContact O-N 3.08Å; E100-S102 PolarHBondContact O-N 3.47Å; E100-S102 VanDerWaalsContact O-N 3.14Å
101	N	93.1	Very high	93.2	Very high	106 Å²	106	68.7 Å²	68.7	57%	0.567	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	36.4	-173.4	-167.4	37.1	0	0	0	113.2	C97 R98 E99 M103 Q124	C97-N101 PolarHBondContact O-N 3.16Å; R98-N101 PolarHBondContact O-N 2.78Å; R98-N101 VanDerWaalsContact O-N 3.15Å; E99-N101 PolarHBondContact O-N 3.21Å; N101-M103 PolarHBondContact O-N 3.24Å; N101-Q124 WeakPolarHBondContact OD1-CG 3.4Å
102	S	94.4	Very high	93.3	Very high	37 Å²	37	66.1 Å²	66.1	26%	0.259	31%	0.313	S	S	.	.			trans	-69.5	134.4	-176	178.6	0	0	0	0	110.7	C97 E100 R104 Q124 L125	C97-S102 PolarHBondContact O-N 3.28Å; E100-S102 PolarHBondContact O-N 3.47Å; E100-S102 VanDerWaalsContact O-N 3.14Å; S102-R104 PolarHBondContact OG-N 3.18Å; S102-R104 VanDerWaalsContact OG-N 3.1Å; S102-R104 PolarHBondContact OG-O 2.66Å; S102-Q124 WeakPolarHBondContact O-CG 3.39Å; S102-Q124 PolarHBondContact O-NE2 2.97Å; S102-L125 WeakPolarHBondContact O-CD2 3.07Å
103	M	96.3	Very high	93.4	Very high	119 Å²	119	63.7 Å²	63.7	59%	0.586	30%	0.304	S	S	*	.	S	Bend	trans	-78	-9.5	171.7	-62	179.6	-177.9	0	0	112.8	N101 L125 T126 E127	N101-M103 PolarHBondContact O-N 3.24Å; M103-L125 WeakPolarHBondContact O-CA 3.19Å; M103-L125 WeakPolarHBondContact O-CD2 3.26Å; M103-T126 HydrophobicContact CB-CG2 4.37Å; M103-T126 PolarHBondContact O-N 3.4Å; M103-T126 PolarHBondContact O-OG1 3.13Å; M103-E127 PolarHBondContact O-N 3.18Å; M103-E127 VanDerWaalsContact O-N 3.09Å
104	R	96.4	Very high	93.4	Very high	81 Å²	81	67.2 Å²	67.2	31%	0.306	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.4	-175.2	177.2	-176.5	173.7	98.9	15.4	111	S102 D106 E127 Y129	S102-R104 PolarHBondContact OG-N 3.18Å; S102-R104 VanDerWaalsContact OG-N 3.1Å; S102-R104 PolarHBondContact OG-O 2.66Å; R104-D106 IonicContact NH2-OD2 3.93Å; R104-E127 WeakPolarHBondContact CA-O 3.47Å; R104-E127 HydrophobicContact CB-CB 4.31Å; R104-E127 VanDerWaalsContact CD-OE2 3.3Å; R104-E127 WeakPolarHBondContact CD-OE2 3.47Å; R104-E127 HydrophobicContact CG-CB 4.12Å; R104-E127 WeakPolarHBondContact CG-OE2 3.15Å; R104-E127 IonicContact CZ-OE2 3.62Å; R104-E127 IonicContact NE-OE2 3.62Å; R104-E127 IonicContact NH1-OE2 3.24Å; R104-E127 PolarHBondContact NH1-OE2 2.66Å; R104-Y129 HydrophobicContact CG-CE2 4.36Å; R104-Y129 PolarHBondContact NH1-OH 3.05Å
105	L	95.8	Very high	93.4	Very high	11 Å²	11	67.1 Å²	67.1	6%	0.058	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.6	175	177.2	59.2	0	0	0	111	L94 C97 L107 I119 L122 L125 E127 L128 Y129	L94-L105 HydrophobicContact CD2-CD2 3.6Å; C97-L105 HydrophobicContact CB-CD1 4.21Å; L105-L107 HydrophobicContact CD1-CD1 4.4Å; L105-L107 HydrophobicContact CD1-CD2 4.2Å; L105-L107 HydrophobicContact CD1-CG 3.95Å; L105-L107 HydrophobicContact CD2-CD1 3.95Å; L105-L107 HydrophobicContact CD2-CG 4.32Å; L105-L107 HydrophobicContact CG-CD1 4.18Å; L105-L107 HydrophobicContact CG-CG 3.99Å; L105-I119 HydrophobicContact CD2-CD1 4.13Å; L105-L122 HydrophobicContact CD2-CD1 3.79Å; L105-L125 HydrophobicContact CB-CD1 4.07Å; L105-L125 HydrophobicContact CB-CD2 3.76Å; L105-L125 HydrophobicContact CD2-CD1 4.15Å; L105-E127 PolarHBondContact N-O 3.09Å; L105-L128 HydrophobicContact CB-CD1 4.07Å; L105-L128 HydrophobicContact CD2-CD1 3.87Å; L105-L128 HydrophobicContact CG-CD1 3.98Å; L105-Y129 PolarHBondContact O-N 3.46Å
106	D	95.1	Very high	93.4	Very high	53 Å²	53	65.3 Å²	65.3	28%	0.283	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	107.9	175.5	-160.2	-22.7	0	0	0	111.7	R104 S108	R104-D106 IonicContact NH2-OD2 3.93Å; D106-S108 WeakPolarHBondContact OD1-CB 3.17Å; D106-S108 PolarHBondContact OD1-N 3.22Å; D106-S108 PolarHBondContact OD1-OG 2.8Å
107	L	94.4	Very high	93.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.315	C	S	.	.			trans	-112.3	19.5	178.8	-69.2	177.4	0	0	0	111.7	V90 E93 L94 L105 I112 L115 Y129 L130 N133	V90-L107 HydrophobicContact CG1-CD1 4.08Å; E93-L107 HydrophobicContact CB-CD2 3.98Å; E93-L107 HydrophobicContact CG-CD2 4.42Å; L94-L107 HydrophobicContact CD2-CD1 4.41Å; L105-L107 HydrophobicContact CD1-CD1 4.4Å; L105-L107 HydrophobicContact CD1-CD2 4.2Å; L105-L107 HydrophobicContact CD1-CG 3.95Å; L105-L107 HydrophobicContact CD2-CD1 3.95Å; L105-L107 HydrophobicContact CD2-CG 4.32Å; L105-L107 HydrophobicContact CG-CD1 4.18Å; L105-L107 HydrophobicContact CG-CG 3.99Å; L107-I112 HydrophobicContact CB-CD1 3.81Å; L107-I112 HydrophobicContact CD1-CD1 4.44Å; L107-L115 HydrophobicContact CD1-CD1 4.04Å; L107-Y129 PolarHBondContact N-O 3.46Å; L107-L130 HydrophobicContact CB-CD2 3.8Å; L107-L130 HydrophobicContact CD1-CD2 4.11Å; L107-N133 PolarHBondContact O-ND2 3.36Å
108	S	93.1	Very high	93.4	Very high	13 Å²	13	64.9 Å²	64.9	9%	0.091	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	153.9	-173.7	-48.7	0	0	0	0	113.1	D106 R110 Y129 Y131	D106-S108 WeakPolarHBondContact OD1-CB 3.17Å; D106-S108 PolarHBondContact OD1-N 3.22Å; D106-S108 PolarHBondContact OD1-OG 2.8Å; S108-R110 PolarHBondContact O-N 3.13Å; S108-R110 VanDerWaalsContact O-N 3.13Å; S108-Y129 WeakPolarHBondContact OG-CB 3.39Å; S108-Y129 PolarHBondContact OG-O 2.75Å; S108-Y131 CarbonylContact C-O 3.55Å; S108-Y131 WeakPolarHBondContact CA-O 3.43Å; S108-Y131 VanDerWaalsContact CB-CE1 3.48Å; S108-Y131 VanDerWaalsContact CB-CZ 3.41Å; S108-Y131 WeakPolarHBondContact CB-O 3.3Å; S108-Y131 WeakPolarHBondContact OG-CD1 3.47Å; S108-Y131 WeakPolarHBondContact OG-CE1 3.34Å; S108-Y131 PolarHBondContact OG-N 2.85Å
109	K	91.5	Very high	93.5	Very high	115 Å²	115	60.3 Å²	60.3	50%	0.5	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	16.3	179.3	-64.1	167.9	174.8	160.3	0	115.4	Y131 S132	K109-Y131 HydrophobicContact CD-CE2 4.39Å; K109-Y131 HydrophobicContact CG-CE2 4.39Å; K109-Y131 PolarHBondContact N-O 2.6Å; K109-S132 WeakPolarHBondContact CA-O 3.45Å
110	R	91.5	Very high	93.6	Very high	66 Å²	66	58.2 Å²	58.2	25%	0.249	29%	0.294	C	S	.	.	S	Bend	trans	-89.7	-2.4	-176.6	-71.9	-176.9	-169.9	-123.6	12.2	114.4	S85 E93 S108 I112 N133	S85-R110 WeakPolarHBondContact CB-O 3.46Å; S85-R110 PolarHBondContact N-O 3Å; E93-R110 IonicContact OE1-CZ 2.73Å; E93-R110 IonicContact OE1-NH1 2.7Å; E93-R110 PolarHBondContact OE1-NH1 2.94Å; E93-R110 IonicContact OE1-NH2 3.77Å; E93-R110 PolarHBondContact OE1-NH2 3.28Å; S108-R110 PolarHBondContact O-N 3.13Å; S108-R110 VanDerWaalsContact O-N 3.13Å; R110-I112 VanDerWaalsContact C-N 3.29Å; R110-I112 HydrophobicContact CB-CD1 3.92Å; R110-I112 HydrophobicContact CB-CG1 3.75Å; R110-I112 PolarHBondContact O-N 2.9Å; R110-N133 PolarHBondContact N-OD1 2.93Å; R110-N133 VanDerWaalsContact N-OD1 3.14Å
111	S	91.2	Very high	93.6	Very high	49 Å²	49	56.6 Å²	56.6	34%	0.343	29%	0.287	S	S	.	.			trans	60.7	31	-174.1	-62.2	0	0	0	0	114.5	H113 N133	S111-H113 PolarHBondContact O-CD2 2.85Å; S111-N133 PolarHBondContact N-OD1 3.19Å
112	I	91.9	Very high	93.7	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.261	C	S	.	.			trans	-66.3	131.5	-178.5	-59.8	172.1	0	0	0	110.3	V90 L107 R110 I114 N133 K134 L135	V90-I112 HydrophobicContact CG1-CD1 4.37Å; V90-I112 HydrophobicContact CG2-CD1 3.78Å; V90-I112 HydrophobicContact CG2-CG1 3.85Å; V90-I112 HydrophobicContact CG2-CG2 4.5Å; L107-I112 HydrophobicContact CB-CD1 3.81Å; L107-I112 HydrophobicContact CD1-CD1 4.44Å; R110-I112 VanDerWaalsContact C-N 3.29Å; R110-I112 HydrophobicContact CB-CD1 3.92Å; R110-I112 HydrophobicContact CB-CG1 3.75Å; R110-I112 PolarHBondContact O-N 2.9Å; I112-I114 WeakPolarHBondContact CG2-O 3.48Å; I112-N133 HydrophobicContact CB-CB 4.42Å; I112-N133 PolarHBondContact N-OD1 2.87Å; I112-K134 CarbonylContact O-C 3.35Å; I112-K134 VanDerWaalsContact O-C 3.25Å; I112-K134 VanDerWaalsContact O-CA 3.3Å; I112-K134 WeakPolarHBondContact O-CA 3.49Å; I112-K134 PolarHBondContact O-N 3Å; I112-L135 HydrophobicContact CG2-CD2 3.92Å; I112-L135 PolarHBondContact O-N 3.36Å
113	H	92.2	Very high	93.7	Very high	107 Å²	107	53.1 Å²	53.1	50%	0.495	27%	0.268	S	S	.	.	S	Bend	trans	-96.3	-34.9	179	-79.3	-88.4	0	0	0	113.6	S111 K134	S111-H113 PolarHBondContact O-CD2 2.85Å; H113-K134 VanDerWaalsContact CE1-CD 3.47Å; H113-K134 WeakPolarHBondContact CE1-CD 3.37Å; H113-K134 WeakPolarHBondContact NE2-CD 3.47Å
114	I	92	Very high	93.7	Very high	128 Å²	128	49.1 Å²	49.1	66%	0.656	25%	0.247	S	C	*	.	S	Bend	trans	-140.4	137.4	-179.9	-58.3	176.2	0	0	0	107	I112	I112-I114 WeakPolarHBondContact CG2-O 3.48Å
115	L	94.1	Very high	93.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	23%	0.233	C	C	.	.			trans	-87.3	129.8	171.7	-173.5	68.2	0	0	0	109.2	L107 I119 L130 L135 L138 P139 V142	L107-L115 HydrophobicContact CD1-CD1 4.04Å; L115-I119 HydrophobicContact CD2-CB 4.37Å; L115-I119 HydrophobicContact CD2-CD1 4.49Å; L115-I119 HydrophobicContact CD2-CG1 4.08Å; L115-I119 HydrophobicContact CD2-CG2 4.38Å; L115-I119 HydrophobicContact CG-CB 4.48Å; L115-L130 HydrophobicContact CD1-CD2 4Å; L115-L130 HydrophobicContact CD2-CD1 4.12Å; L115-L135 HydrophobicContact CB-CD2 4.42Å; L115-L138 HydrophobicContact CD2-CD2 4.38Å; L115-P139 HydrophobicContact CB-CG 4.06Å; L115-P139 HydrophobicContact CD2-CG 4.25Å; L115-P139 HydrophobicContact CG-CG 4.36Å; L115-V142 HydrophobicContact CD2-CG2 3.88Å
116	P	92.9	Very high	93.8	Very high	14 Å²	14	46.3 Å²	46.3	9%	0.091	24%	0.24	C	C	.	.			trans	-62.8	145.8	178.9	-24.6	34.6	0	0	0	113.5	V90 I91 L94 S118 I119	V90-P116 HydrophobicContact CB-CG 4.36Å; V90-P116 HydrophobicContact CG1-CG 3.93Å; I91-P116 HydrophobicContact CG1-CB 4.17Å; I91-P116 HydrophobicContact CG1-CG 3.87Å; L94-P116 HydrophobicContact CD1-CB 3.98Å; L94-P116 HydrophobicContact CD1-CG 4.01Å; P116-S118 PolarHBondContact O-N 2.9Å; P116-I119 WeakPolarHBondContact O-CB 3.07Å; P116-I119 VanDerWaalsContact O-CG2 3.26Å; P116-I119 WeakPolarHBondContact O-CG2 3.44Å; P116-I119 PolarHBondContact O-N 3.43Å; P116-I119 VanDerWaalsContact O-N 3.16Å
117	S	92.6	Very high	94	Very high	64 Å²	64	46.4 Å²	46.4	45%	0.448	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-65.7	-17.7	175.7	50.2	0	0	0	0	114.1	I119 K120 E141	S117-I119 PolarHBondContact O-N 3.13Å; S117-I119 VanDerWaalsContact O-N 3.08Å; S117-K120 WeakPolarHBondContact O-CG 3.39Å; S117-K120 PolarHBondContact O-N 2.88Å; S117-E141 WeakPolarHBondContact CB-OE1 3.46Å; S117-E141 WeakPolarHBondContact O-CG 3.35Å
118	S	92.7	Very high	94.1	Very high	28 Å²	28	46.4 Å²	46.4	20%	0.196	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-62	-11.1	171.1	54.2	0	0	0	0	113.7	L94 P116 K120 E121	L94-S118 WeakPolarHBondContact CD1-OG 3.37Å; P116-S118 PolarHBondContact O-N 2.9Å; S118-K120 PolarHBondContact O-N 2.83Å; S118-K120 VanDerWaalsContact O-N 3.11Å; S118-E121 PolarHBondContact O-N 3.21Å; S118-E121 VanDerWaalsContact O-N 3.16Å
119	I	95.6	Very high	94.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-51.8	-29.9	169.2	-167.8	66.8	0	0	0	112.8	L94 L105 L115 P116 S117 E121 L122 L125 P139 E141 V142 L145	L94-I119 HydrophobicContact CD2-CD1 3.62Å; L105-I119 HydrophobicContact CD2-CD1 4.13Å; L115-I119 HydrophobicContact CD2-CB 4.37Å; L115-I119 HydrophobicContact CD2-CD1 4.49Å; L115-I119 HydrophobicContact CD2-CG1 4.08Å; L115-I119 HydrophobicContact CD2-CG2 4.38Å; L115-I119 HydrophobicContact CG-CB 4.48Å; P116-I119 WeakPolarHBondContact O-CB 3.07Å; P116-I119 VanDerWaalsContact O-CG2 3.26Å; P116-I119 WeakPolarHBondContact O-CG2 3.44Å; P116-I119 PolarHBondContact O-N 3.43Å; P116-I119 VanDerWaalsContact O-N 3.16Å; S117-I119 PolarHBondContact O-N 3.13Å; S117-I119 VanDerWaalsContact O-N 3.08Å; I119-E121 PolarHBondContact O-N 2.81Å; I119-L122 HydrophobicContact CD1-CD1 4.11Å; I119-L122 PolarHBondContact O-N 3.18Å; I119-L125 HydrophobicContact CD1-CD1 4.49Å; I119-P139 HydrophobicContact CG2-CG 4.31Å; I119-E141 HydrophobicContact CG2-CB 3.73Å; I119-V142 HydrophobicContact CG2-CG2 4.39Å; I119-L145 HydrophobicContact CD1-CD1 4.47Å; I119-L145 HydrophobicContact CG1-CD1 4.08Å; I119-L145 HydrophobicContact CG1-CD2 4.48Å; I119-L145 WeakPolarHBondContact O-CD2 3.38Å
120	K	94.8	Very high	94.5	Very high	102 Å²	102	41 Å²	41	44%	0.443	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-56.1	-23.7	179.2	69.2	-172.2	-179.3	179.7	0	114.6	S117 S118 L122 T123 E141 C144	S117-K120 WeakPolarHBondContact O-CG 3.39Å; S117-K120 PolarHBondContact O-N 2.88Å; S118-K120 PolarHBondContact O-N 2.83Å; S118-K120 VanDerWaalsContact O-N 3.11Å; K120-L122 VanDerWaalsContact C-N 3.33Å; K120-T123 WeakPolarHBondContact O-CG2 3.18Å; K120-E141 HydrophobicContact CB-CB 3.93Å; K120-E141 HydrophobicContact CB-CG 4.03Å; K120-E141 HydrophobicContact CD-CG 4.1Å; K120-C144 HydrophobicContact CB-CB 3.98Å
121	E	94	Very high	94.7	Very high	88 Å²	88	39.2 Å²	39.2	41%	0.411	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-78.1	-19.4	-177.4	-63	173.8	-155.5	0	0	112.4	R98 S118 I119 T123	R98-E121 IonicContact CZ-OE2 3.58Å; R98-E121 IonicContact NH1-OE2 3.76Å; R98-E121 PolarHBondContact NH1-OE2 3.37Å; S118-E121 PolarHBondContact O-N 3.21Å; S118-E121 VanDerWaalsContact O-N 3.16Å; I119-E121 PolarHBondContact O-N 2.81Å; E121-T123 PolarHBondContact O-N 2.85Å
122	L	95.8	Very high	94.8	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.199	C	C	.	.			trans	-86	43.6	-174.3	-54	-168.9	0	0	0	113.3	L94 C97 R98 L105 I119 K120 Q124 L125 L145	L94-L122 HydrophobicContact CB-CD1 4.4Å; L94-L122 HydrophobicContact CD2-CD1 3.57Å; C97-L122 HydrophobicContact CB-CD1 4.11Å; R98-L122 HydrophobicContact CB-CD2 3.57Å; R98-L122 HydrophobicContact CG-CD2 4.08Å; L105-L122 HydrophobicContact CD2-CD1 3.79Å; I119-L122 HydrophobicContact CD1-CD1 4.11Å; I119-L122 PolarHBondContact O-N 3.18Å; K120-L122 VanDerWaalsContact C-N 3.33Å; L122-Q124 VanDerWaalsContact CA-OE1 3.26Å; L122-Q124 PolarHBondContact O-N 3.12Å; L122-Q124 PolarHBondContact O-OE1 2.93Å; L122-L125 HydrophobicContact CB-CD1 3.6Å; L122-L125 HydrophobicContact CB-CG 3.89Å; L122-L125 HydrophobicContact CD1-CD1 3.94Å; L122-L125 HydrophobicContact CG-CD1 4.43Å; L122-L125 WeakPolarHBondContact O-CB 3.26Å; L122-L125 WeakPolarHBondContact O-CG 3.22Å; L122-L125 PolarHBondContact O-N 2.89Å; L122-L145 HydrophobicContact CB-CD2 4.21Å; L122-L145 VanDerWaalsContact O-CD2 3.28Å; L122-L145 WeakPolarHBondContact O-CD2 3.26Å
123	T	94.6	Very high	95	Very high	66 Å²	66	38.4 Å²	38.4	41%	0.405	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.6	-174.2	64	0	0	0	0	114.8	K120 E121 L125 N147	K120-T123 WeakPolarHBondContact O-CG2 3.18Å; E121-T123 PolarHBondContact O-N 2.85Å; T123-L125 VanDerWaalsContact C-N 3.31Å; T123-N147 PolarHBondContact O-ND2 3.23Å
124	Q	95.5	Very high	95.1	Very high	35 Å²	35	38 Å²	38	16%	0.164	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.5	174.6	80.5	-72.3	-7.3	0	0	114.3	N101 S102 L122 T126	N101-Q124 WeakPolarHBondContact OD1-CG 3.4Å; S102-Q124 WeakPolarHBondContact O-CG 3.39Å; S102-Q124 PolarHBondContact O-NE2 2.97Å; L122-Q124 VanDerWaalsContact CA-OE1 3.26Å; L122-Q124 PolarHBondContact O-N 3.12Å; L122-Q124 PolarHBondContact O-OE1 2.93Å; Q124-T126 PolarHBondContact O-N 3.29Å
125	L	97.5	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.			trans	-63.8	130.3	-174.9	-73.8	176.2	0	0	0	112.7	S102 M103 L105 I119 L122 T123 L145 N147 L148	S102-L125 WeakPolarHBondContact O-CD2 3.07Å; M103-L125 WeakPolarHBondContact O-CA 3.19Å; M103-L125 WeakPolarHBondContact O-CD2 3.26Å; L105-L125 HydrophobicContact CB-CD1 4.07Å; L105-L125 HydrophobicContact CB-CD2 3.76Å; L105-L125 HydrophobicContact CD2-CD1 4.15Å; I119-L125 HydrophobicContact CD1-CD1 4.49Å; L122-L125 HydrophobicContact CB-CD1 3.6Å; L122-L125 HydrophobicContact CB-CG 3.89Å; L122-L125 HydrophobicContact CD1-CD1 3.94Å; L122-L125 HydrophobicContact CG-CD1 4.43Å; L122-L125 WeakPolarHBondContact O-CB 3.26Å; L122-L125 WeakPolarHBondContact O-CG 3.22Å; L122-L125 PolarHBondContact O-N 2.89Å; T123-L125 VanDerWaalsContact C-N 3.31Å; L125-L145 HydrophobicContact CD1-CD1 4.41Å; L125-L145 HydrophobicContact CD1-CD2 4.33Å; L125-N147 CarbonylContact O-C 3.59Å; L125-L148 HydrophobicContact CB-CD1 4.12Å; L125-L148 WeakPolarHBondContact O-CA 3.03Å; L125-L148 PolarHBondContact O-N 3.14Å; L125-L148 VanDerWaalsContact O-N 3.13Å
126	T	97.8	Very high	95.3	Very high	33 Å²	33	38 Å²	38	20%	0.202	19%	0.194	C	C	.	.	S	Bend	trans	-104.2	-24.2	167.8	61.7	0	0	0	0	111.7	M103 Q124 M149 T150	M103-T126 HydrophobicContact CB-CG2 4.37Å; M103-T126 PolarHBondContact O-N 3.4Å; M103-T126 PolarHBondContact O-OG1 3.13Å; Q124-T126 PolarHBondContact O-N 3.29Å; T126-M149 PolarHBondContact O-N 2.93Å; T126-T150 PolarHBondContact O-N 3.21Å
127	E	98.1	Very high	95.4	Very high	56 Å²	56	40.6 Å²	40.6	26%	0.262	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.4	-179.4	-56	-177.1	162.4	0	0	112.7	M103 R104 L105 Y129	M103-E127 PolarHBondContact O-N 3.18Å; M103-E127 VanDerWaalsContact O-N 3.09Å; R104-E127 WeakPolarHBondContact CA-O 3.47Å; R104-E127 HydrophobicContact CB-CB 4.31Å; R104-E127 VanDerWaalsContact CD-OE2 3.3Å; R104-E127 WeakPolarHBondContact CD-OE2 3.47Å; R104-E127 HydrophobicContact CG-CB 4.12Å; R104-E127 WeakPolarHBondContact CG-OE2 3.15Å; R104-E127 IonicContact CZ-OE2 3.62Å; R104-E127 IonicContact NE-OE2 3.62Å; R104-E127 IonicContact NH1-OE2 3.24Å; R104-E127 PolarHBondContact NH1-OE2 2.66Å; L105-E127 PolarHBondContact N-O 3.09Å; E127-Y129 HydrophobicContact CB-CD2 4.46Å; E127-Y129 HydrophobicContact CB-CE2 3.76Å
128	L	97.7	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116.3	177.2	178.7	56.4	0	0	0	110.8	L105 L130 L145 L148 T150 L151 A152	L105-L128 HydrophobicContact CB-CD1 4.07Å; L105-L128 HydrophobicContact CD2-CD1 3.87Å; L105-L128 HydrophobicContact CG-CD1 3.98Å; L128-L130 HydrophobicContact CD1-CD1 4.27Å; L128-L130 HydrophobicContact CD1-CG 4.15Å; L128-L130 HydrophobicContact CD2-CD1 3.95Å; L128-L130 HydrophobicContact CG-CD1 3.93Å; L128-L130 HydrophobicContact CG-CG 4.18Å; L128-L145 HydrophobicContact CD2-CD1 3.8Å; L128-L148 HydrophobicContact CB-CD1 3.74Å; L128-L148 HydrophobicContact CB-CD2 4.28Å; L128-T150 PolarHBondContact N-O 2.84Å; L128-L151 HydrophobicContact CB-CD1 4.14Å; L128-L151 HydrophobicContact CD2-CD1 3.97Å; L128-L151 HydrophobicContact CG-CD1 4.07Å; L128-A152 PolarHBondContact O-N 3.28Å
129	Y	97.1	Very high	95.8	Very high	13 Å²	13	37.8 Å²	37.8	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.6	177.9	-59.3	-93.3	0	0	0	110.9	I72 R104 L105 L107 S108 E127 Y131 T150 A152	I72-Y129 HydrophobicContact CG2-CE1 4.22Å; R104-Y129 HydrophobicContact CG-CE2 4.36Å; R104-Y129 PolarHBondContact NH1-OH 3.05Å; L105-Y129 PolarHBondContact O-N 3.46Å; L107-Y129 PolarHBondContact N-O 3.46Å; S108-Y129 WeakPolarHBondContact OG-CB 3.39Å; S108-Y129 PolarHBondContact OG-O 2.75Å; E127-Y129 HydrophobicContact CB-CD2 4.46Å; E127-Y129 HydrophobicContact CB-CE2 3.76Å; Y129-Y131 HydrophobicContact CD1-CD1 4.14Å; Y129-Y131 HydrophobicContact CD1-CE1 4.03Å; Y129-Y131 HydrophobicContact CG-CE1 4.41Å; Y129-T150 HydrophobicContact CE1-CG2 4.41Å; Y129-A152 HydrophobicContact CD1-CB 3.63Å; Y129-A152 HydrophobicContact CE1-CB 4.2Å; Y129-A152 HydrophobicContact CG-CB 4.41Å
130	L	95.8	Very high	95.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.			trans	-132.7	20.5	-176.4	-73.3	164.3	0	0	0	111.2	L107 L115 L128 N133 L135 L138 A152 L153 N156	L107-L130 HydrophobicContact CB-CD2 3.8Å; L107-L130 HydrophobicContact CD1-CD2 4.11Å; L115-L130 HydrophobicContact CD1-CD2 4Å; L115-L130 HydrophobicContact CD2-CD1 4.12Å; L128-L130 HydrophobicContact CD1-CD1 4.27Å; L128-L130 HydrophobicContact CD1-CG 4.15Å; L128-L130 HydrophobicContact CD2-CD1 3.95Å; L128-L130 HydrophobicContact CG-CD1 3.93Å; L128-L130 HydrophobicContact CG-CG 4.18Å; L130-N133 PolarHBondContact O-ND2 2.94Å; L130-L135 HydrophobicContact CB-CD1 4.14Å; L130-L135 HydrophobicContact CD1-CD1 4.31Å; L130-L135 HydrophobicContact CD2-CD1 4.35Å; L130-L138 HydrophobicContact CD1-CD2 4.28Å; L130-A152 WeakPolarHBondContact CA-O 3.36Å; L130-A152 PolarHBondContact N-O 3.02Å; L130-L153 HydrophobicContact CB-CD2 4.05Å; L130-L153 HydrophobicContact CD1-CD2 3.73Å; L130-N156 PolarHBondContact O-ND2 3.43Å
131	Y	94.3	Very high	95.9	Very high	29 Å²	29	38.4 Å²	38.4	11%	0.114	21%	0.206	C	C	.	.			trans	-74.7	157	-170.2	65.1	-97.1	0	0	0	113.3	S108 K109 Y129 N133 S154	S108-Y131 CarbonylContact C-O 3.55Å; S108-Y131 WeakPolarHBondContact CA-O 3.43Å; S108-Y131 VanDerWaalsContact CB-CE1 3.48Å; S108-Y131 VanDerWaalsContact CB-CZ 3.41Å; S108-Y131 WeakPolarHBondContact CB-O 3.3Å; S108-Y131 WeakPolarHBondContact OG-CD1 3.47Å; S108-Y131 WeakPolarHBondContact OG-CE1 3.34Å; S108-Y131 PolarHBondContact OG-N 2.85Å; K109-Y131 HydrophobicContact CD-CE2 4.39Å; K109-Y131 HydrophobicContact CG-CE2 4.39Å; K109-Y131 PolarHBondContact N-O 2.6Å; Y129-Y131 HydrophobicContact CD1-CD1 4.14Å; Y129-Y131 HydrophobicContact CD1-CE1 4.03Å; Y129-Y131 HydrophobicContact CG-CE1 4.41Å; Y131-N133 PolarHBondContact O-N 2.79Å; Y131-S154 CarbonylContact C-O 3.23Å; Y131-S154 WeakPolarHBondContact CA-O 3.16Å; Y131-S154 WeakPolarHBondContact CB-O 3.11Å; Y131-S154 WeakPolarHBondContact CB-OG 3.37Å
132	S	94.6	Very high	96	Very high	27 Å²	27	34.2 Å²	34.2	19%	0.189	19%	0.187	C	C	.	.	S	Bend	trans	55.3	48.2	-176.5	-45.8	0	0	0	0	113.3	K109 S154 E155	K109-S132 WeakPolarHBondContact CA-O 3.45Å; S132-S154 PolarHBondContact N-O 3.09Å; S132-E155 CarbonylContact C-O 3.17Å; S132-E155 VanDerWaalsContact CA-O 3.25Å; S132-E155 WeakPolarHBondContact CA-O 3.4Å; S132-E155 WeakPolarHBondContact CB-OE2 3.25Å; S132-E155 PolarHBondContact N-O 2.84Å; S132-E155 PolarHBondContact OG-OE2 2.95Å
133	N	94.9	Very high	96.1	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.059	19%	0.188	C	C	.	.	S	Bend	trans	-118.8	-162.9	178.5	-83.6	-52.4	0	0	0	110.8	L107 R110 S111 I112 L130 Y131 L135 E155 N156	L107-N133 PolarHBondContact O-ND2 3.36Å; R110-N133 PolarHBondContact N-OD1 2.93Å; R110-N133 VanDerWaalsContact N-OD1 3.14Å; S111-N133 PolarHBondContact N-OD1 3.19Å; I112-N133 HydrophobicContact CB-CB 4.42Å; I112-N133 PolarHBondContact N-OD1 2.87Å; L130-N133 PolarHBondContact O-ND2 2.94Å; Y131-N133 PolarHBondContact O-N 2.79Å; N133-L135 HydrophobicContact CB-CG 4.43Å; N133-E155 PolarHBondContact N-O 3.31Å; N133-N156 WeakPolarHBondContact CA-OD1 3.5Å; N133-N156 WeakPolarHBondContact CB-OD1 3.3Å
134	K	95.1	Very high	96.2	Very high	99 Å²	99	33.9 Å²	33.9	43%	0.43	19%	0.187	S	C	.	.			trans	-127.8	24.6	-177	-61.6	180	-178.7	177.2	0	112.2	I112 H113 Q136 N156	I112-K134 CarbonylContact O-C 3.35Å; I112-K134 VanDerWaalsContact O-C 3.25Å; I112-K134 VanDerWaalsContact O-CA 3.3Å; I112-K134 WeakPolarHBondContact O-CA 3.49Å; I112-K134 PolarHBondContact O-N 3Å; H113-K134 VanDerWaalsContact CE1-CD 3.47Å; H113-K134 WeakPolarHBondContact CE1-CD 3.37Å; H113-K134 WeakPolarHBondContact NE2-CD 3.47Å; K134-Q136 PolarHBondContact O-N 2.95Å; K134-N156 PolarHBondContact N-OD1 3.15Å
135	L	95.6	Very high	96.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.			trans	-63.1	130.7	-179.5	-61.5	170.2	0	0	0	110.1	I112 L115 L130 N133 L138 N156 S157 L158	I112-L135 HydrophobicContact CG2-CD2 3.92Å; I112-L135 PolarHBondContact O-N 3.36Å; L115-L135 HydrophobicContact CB-CD2 4.42Å; L130-L135 HydrophobicContact CB-CD1 4.14Å; L130-L135 HydrophobicContact CD1-CD1 4.31Å; L130-L135 HydrophobicContact CD2-CD1 4.35Å; N133-L135 HydrophobicContact CB-CG 4.43Å; L135-L138 HydrophobicContact CD1-CD2 4.11Å; L135-N156 HydrophobicContact CB-CB 4.4Å; L135-N156 WeakPolarHBondContact CB-OD1 3.22Å; L135-N156 WeakPolarHBondContact CG-OD1 3.3Å; L135-N156 PolarHBondContact N-OD1 3.23Å; L135-S157 CarbonylContact O-C 3.45Å; L135-S157 VanDerWaalsContact O-CA 3.23Å; L135-S157 WeakPolarHBondContact O-CA 3.43Å; L135-S157 WeakPolarHBondContact O-CB 3.43Å; L135-S157 PolarHBondContact O-N 2.82Å; L135-L158 HydrophobicContact CB-CD2 4.01Å; L135-L158 PolarHBondContact O-N 2.59Å
136	Q	95.3	Very high	96.2	Very high	129 Å²	129	35.5 Å²	35.5	60%	0.603	20%	0.199	S	C	*	.	S	Bend	trans	-97.5	-27.1	173.4	-61.2	-175.6	21	0	0	112.2	K134 L158 T159	K134-Q136 PolarHBondContact O-N 2.95Å; Q136-L158 WeakPolarHBondContact O-CA 3.37Å; Q136-T159 PolarHBondContact O-N 3.48Å
137	S	95.4	Very high	96.2	Very high	69 Å²	69	36.4 Å²	36.4	48%	0.483	20%	0.203	S	C	.	.			trans	-148.5	171.1	174.7	58.3	0	0	0	0	109.7
138	L	96.2	Very high	96.2	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.047	19%	0.191	C	C	.	.			trans	-107.6	146.4	165.2	-70	177.7	0	0	0	110.2	L115 L130 L135 V142 L153 L158 L161 P162	L115-L138 HydrophobicContact CD2-CD2 4.38Å; L130-L138 HydrophobicContact CD1-CD2 4.28Å; L135-L138 HydrophobicContact CD1-CD2 4.11Å; L138-V142 HydrophobicContact CB-CG2 4.29Å; L138-V142 HydrophobicContact CD2-CG2 4.5Å; L138-L153 HydrophobicContact CD1-CD1 3.73Å; L138-L153 HydrophobicContact CD1-CD2 3.8Å; L138-L153 HydrophobicContact CD1-CG 4.43Å; L138-L153 HydrophobicContact CD2-CD2 3.84Å; L138-L153 HydrophobicContact CG-CD2 4.23Å; L138-L158 HydrophobicContact CG-CD2 4.49Å; L138-L161 HydrophobicContact CD1-CD2 3.96Å; L138-P162 HydrophobicContact CB-CG 4.07Å
139	P	95.7	Very high	96.2	Very high	24 Å²	24	36.8 Å²	36.8	16%	0.156	21%	0.206	C	C	.	.			trans	-69.3	151.3	171.7	32.4	-36	0	0	0	110.4	L115 I119 E141 V142	L115-P139 HydrophobicContact CB-CG 4.06Å; L115-P139 HydrophobicContact CD2-CG 4.25Å; L115-P139 HydrophobicContact CG-CG 4.36Å; I119-P139 HydrophobicContact CG2-CG 4.31Å; P139-E141 WeakPolarHBondContact CB-OE2 3.31Å; P139-E141 PolarHBondContact O-N 2.79Å; P139-V142 HydrophobicContact CG-CG2 4.06Å; P139-V142 WeakPolarHBondContact O-CG2 3.03Å; P139-V142 PolarHBondContact O-N 3.25Å
140	A	96.3	Very high	96.2	Very high	56 Å²	56	37.3 Å²	37.3	46%	0.463	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-62.7	-25.5	-178.8	0	0	0	0	0	112.3	V142 G143 S164	A140-V142 PolarHBondContact O-N 3.12Å; A140-V142 VanDerWaalsContact O-N 3.13Å; A140-G143 PolarHBondContact O-N 3.1Å; A140-S164 VanDerWaalsContact CA-OG 3.3Å; A140-S164 WeakPolarHBondContact CA-OG 3.17Å; A140-S164 WeakPolarHBondContact O-CB 3.38Å; A140-S164 PolarHBondContact O-OG 3.49Å
141	E	97.3	Very high	96.4	Very high	60 Å²	60	37.3 Å²	37.3	28%	0.28	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-57.4	-19.1	175.6	-73.5	89.9	160	0	0	114.8	S117 I119 K120 P139 G143 C144	S117-E141 WeakPolarHBondContact CB-OE1 3.46Å; S117-E141 WeakPolarHBondContact O-CG 3.35Å; I119-E141 HydrophobicContact CG2-CB 3.73Å; K120-E141 HydrophobicContact CB-CB 3.93Å; K120-E141 HydrophobicContact CB-CG 4.03Å; K120-E141 HydrophobicContact CD-CG 4.1Å; P139-E141 WeakPolarHBondContact CB-OE2 3.31Å; P139-E141 PolarHBondContact O-N 2.79Å; E141-G143 PolarHBondContact O-N 2.88Å; E141-C144 WeakPolarHBondContact O-CB 3.32Å; E141-C144 PolarHBondContact O-N 3.28Å; E141-C144 VanDerWaalsContact O-N 3.12Å
142	V	96.9	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-61.6	-27.7	170.6	179.4	0	0	0	0	111.3	L115 I119 L138 P139 A140 C144 L145 L151 L165	L115-V142 HydrophobicContact CD2-CG2 3.88Å; I119-V142 HydrophobicContact CG2-CG2 4.39Å; L138-V142 HydrophobicContact CB-CG2 4.29Å; L138-V142 HydrophobicContact CD2-CG2 4.5Å; P139-V142 HydrophobicContact CG-CG2 4.06Å; P139-V142 WeakPolarHBondContact O-CG2 3.03Å; P139-V142 PolarHBondContact O-N 3.25Å; A140-V142 PolarHBondContact O-N 3.12Å; A140-V142 VanDerWaalsContact O-N 3.13Å; V142-C144 PolarHBondContact O-N 2.76Å; V142-L145 HydrophobicContact CG1-CD1 4.23Å; V142-L145 WeakPolarHBondContact O-CB 3.38Å; V142-L145 WeakPolarHBondContact O-CG 3.35Å; V142-L145 PolarHBondContact O-N 3.03Å; V142-L151 HydrophobicContact CG1-CD2 4.49Å; V142-L165 HydrophobicContact CB-CD2 4.47Å; V142-L165 HydrophobicContact CG1-CD2 3.74Å
143	G	95.8	Very high	96.6	Very high	4 Å²	4	34.6 Å²	34.6	4%	0.041	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-62.9	-19.7	174.6	0	0	0	0	0	114.6	A140 E141 L145 S164 N167	A140-G143 PolarHBondContact O-N 3.1Å; E141-G143 PolarHBondContact O-N 2.88Å; G143-L145 PolarHBondContact O-N 3.38Å; G143-S164 WeakPolarHBondContact CA-O 3.27Å; G143-N167 WeakPolarHBondContact O-CB 3.33Å
144	C	96.9	Very high	96.7	Very high	57 Å²	57	34.5 Å²	34.5	39%	0.385	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-74.2	-12.2	176.7	-59.6	0	0	0	0	113.3	K120 E141 V142 V146	K120-C144 HydrophobicContact CB-CB 3.98Å; E141-C144 WeakPolarHBondContact O-CB 3.32Å; E141-C144 PolarHBondContact O-N 3.28Å; E141-C144 VanDerWaalsContact O-N 3.12Å; V142-C144 PolarHBondContact O-N 2.76Å; C144-V146 PolarHBondContact O-N 2.92Å
145	L	97.1	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.			trans	-78.9	51.1	-177.1	-56.3	-178.2	0	0	0	112.5	I119 L122 L125 L128 V142 G143 N147 L148 L168	I119-L145 HydrophobicContact CD1-CD1 4.47Å; I119-L145 HydrophobicContact CG1-CD1 4.08Å; I119-L145 HydrophobicContact CG1-CD2 4.48Å; I119-L145 WeakPolarHBondContact O-CD2 3.38Å; L122-L145 HydrophobicContact CB-CD2 4.21Å; L122-L145 VanDerWaalsContact O-CD2 3.28Å; L122-L145 WeakPolarHBondContact O-CD2 3.26Å; L125-L145 HydrophobicContact CD1-CD1 4.41Å; L125-L145 HydrophobicContact CD1-CD2 4.33Å; L128-L145 HydrophobicContact CD2-CD1 3.8Å; V142-L145 HydrophobicContact CG1-CD1 4.23Å; V142-L145 WeakPolarHBondContact O-CB 3.38Å; V142-L145 WeakPolarHBondContact O-CG 3.35Å; V142-L145 PolarHBondContact O-N 3.03Å; G143-L145 PolarHBondContact O-N 3.38Å; L145-N147 PolarHBondContact O-N 3.23Å; L145-L148 HydrophobicContact CB-CB 4.18Å; L145-L148 HydrophobicContact CD1-CD2 4.41Å; L145-L148 WeakPolarHBondContact O-CB 3.45Å; L145-L148 PolarHBondContact O-N 3.25Å; L145-L168 HydrophobicContact CB-CD2 4.22Å; L145-L168 VanDerWaalsContact O-CD2 3.26Å; L145-L168 WeakPolarHBondContact O-CD2 3.1Å
146	V	96.3	Very high	96.8	Very high	70 Å²	70	34 Å²	34	42%	0.424	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-12.1	-168.5	-61.9	0	0	0	0	116.3	C144	C144-V146 PolarHBondContact O-N 2.92Å
147	N	97.3	Very high	96.9	Very high	52 Å²	52	29.2 Å²	29.2	28%	0.278	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-4.4	174.4	-68.7	-55.8	0	0	0	114.5	T123 L125 L145 M149 K170	T123-N147 PolarHBondContact O-ND2 3.23Å; L125-N147 CarbonylContact O-C 3.59Å; L145-N147 PolarHBondContact O-N 3.23Å; N147-M149 PolarHBondContact O-N 2.98Å; N147-K170 PolarHBondContact OD1-NZ 3.23Å
148	L	98.1	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.153	C	C	.	.			trans	-65.5	125.4	-173.1	-159	73.8	0	0	0	111.4	L125 L128 L145 L151 L168 K170 L171	L125-L148 HydrophobicContact CB-CD1 4.12Å; L125-L148 WeakPolarHBondContact O-CA 3.03Å; L125-L148 PolarHBondContact O-N 3.14Å; L125-L148 VanDerWaalsContact O-N 3.13Å; L128-L148 HydrophobicContact CB-CD1 3.74Å; L128-L148 HydrophobicContact CB-CD2 4.28Å; L145-L148 HydrophobicContact CB-CB 4.18Å; L145-L148 HydrophobicContact CD1-CD2 4.41Å; L145-L148 WeakPolarHBondContact O-CB 3.45Å; L145-L148 PolarHBondContact O-N 3.25Å; L148-L151 HydrophobicContact CD2-CB 3.85Å; L148-L151 HydrophobicContact CD2-CD1 4.17Å; L148-L151 HydrophobicContact CD2-CD2 4.26Å; L148-L151 HydrophobicContact CD2-CG 4.31Å; L148-L168 HydrophobicContact CB-CD1 4.36Å; L148-L168 HydrophobicContact CD2-CD1 3.91Å; L148-K170 CarbonylContact O-C 3.22Å; L148-K170 VanDerWaalsContact O-C 3.26Å; L148-L171 HydrophobicContact CB-CD1 4.38Å; L148-L171 HydrophobicContact CD2-CD1 4.06Å; L148-L171 HydrophobicContact CG-CD1 4.07Å; L148-L171 VanDerWaalsContact O-CA 3.27Å; L148-L171 WeakPolarHBondContact O-CA 3.46Å; L148-L171 PolarHBondContact O-N 3Å
149	M	98.3	Very high	96.9	Very high	64 Å²	64	29.7 Å²	29.7	32%	0.315	18%	0.176	S	C	.	.			trans	-106.6	-28.6	176.6	-59.3	-169.1	-169	0	0	112.1	T126 N147 R172 M173	T126-M149 PolarHBondContact O-N 2.93Å; N147-M149 PolarHBondContact O-N 2.98Å; M149-R172 PolarHBondContact O-N 2.94Å; M149-M173 PolarHBondContact O-N 2.94Å
150	T	98.1	Very high	97	Very high	23 Å²	23	31.5 Å²	31.5	14%	0.141	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121	-176.3	-58.9	0	0	0	0	110.3	T126 L128 Y129 M173	T126-T150 PolarHBondContact O-N 3.21Å; L128-T150 PolarHBondContact N-O 2.84Å; Y129-T150 HydrophobicContact CE1-CG2 4.41Å; T150-M173 HydrophobicContact CG2-CB 4.45Å; T150-M173 HydrophobicContact CG2-CE 3.58Å; T150-M173 HydrophobicContact CG2-SD 4.21Å
151	L	98.1	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	111	174.7	-179.7	52.7	0	0	0	110.2	L128 V142 L148 L153 L165 L171 M173 L174 D175	L128-L151 HydrophobicContact CB-CD1 4.14Å; L128-L151 HydrophobicContact CD2-CD1 3.97Å; L128-L151 HydrophobicContact CG-CD1 4.07Å; V142-L151 HydrophobicContact CG1-CD2 4.49Å; L148-L151 HydrophobicContact CD2-CB 3.85Å; L148-L151 HydrophobicContact CD2-CD1 4.17Å; L148-L151 HydrophobicContact CD2-CD2 4.26Å; L148-L151 HydrophobicContact CD2-CG 4.31Å; L151-L153 HydrophobicContact CD1-CD1 4.22Å; L151-L153 HydrophobicContact CD1-CD2 4.12Å; L151-L153 HydrophobicContact CD1-CG 3.99Å; L151-L153 HydrophobicContact CD2-CD1 3.97Å; L151-L153 HydrophobicContact CG-CD1 3.79Å; L151-L153 HydrophobicContact CG-CG 3.99Å; L151-L165 HydrophobicContact CD2-CD2 3.95Å; L151-L171 HydrophobicContact CB-CD1 3.79Å; L151-L171 HydrophobicContact CB-CD2 4.43Å; L151-M173 PolarHBondContact N-O 3.13Å; L151-L174 HydrophobicContact CB-CD1 4.12Å; L151-L174 HydrophobicContact CD2-CD1 4.03Å; L151-L174 HydrophobicContact CG-CD1 4.03Å; L151-D175 PolarHBondContact O-N 3.43Å
152	A	97.7	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	110.7	-178.4	0	0	0	0	0	112	I72 L128 Y129 L130 M173 D175	I72-A152 HydrophobicContact CD1-CB 4.1Å; L128-A152 PolarHBondContact O-N 3.28Å; Y129-A152 HydrophobicContact CD1-CB 3.63Å; Y129-A152 HydrophobicContact CE1-CB 4.2Å; Y129-A152 HydrophobicContact CG-CB 4.41Å; L130-A152 WeakPolarHBondContact CA-O 3.36Å; L130-A152 PolarHBondContact N-O 3.02Å; A152-M173 HydrophobicContact CB-CE 4.48Å; A152-D175 HydrophobicContact CB-CB 4.46Å
153	L	96.9	Very high	97	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.19	C	C	.	.			trans	-120.8	15.1	-173.1	-63	161.3	0	0	0	112.5	L130 L138 L151 N156 L158 L161 L174 D175 L176 N179	L130-L153 HydrophobicContact CB-CD2 4.05Å; L130-L153 HydrophobicContact CD1-CD2 3.73Å; L138-L153 HydrophobicContact CD1-CD1 3.73Å; L138-L153 HydrophobicContact CD1-CD2 3.8Å; L138-L153 HydrophobicContact CD1-CG 4.43Å; L138-L153 HydrophobicContact CD2-CD2 3.84Å; L138-L153 HydrophobicContact CG-CD2 4.23Å; L151-L153 HydrophobicContact CD1-CD1 4.22Å; L151-L153 HydrophobicContact CD1-CD2 4.12Å; L151-L153 HydrophobicContact CD1-CG 3.99Å; L151-L153 HydrophobicContact CD2-CD1 3.97Å; L151-L153 HydrophobicContact CG-CD1 3.79Å; L151-L153 HydrophobicContact CG-CG 3.99Å; L153-N156 PolarHBondContact O-ND2 2.72Å; L153-L158 HydrophobicContact CB-CD1 3.85Å; L153-L158 HydrophobicContact CD1-CD1 4.1Å; L153-L158 HydrophobicContact CD2-CD1 4.34Å; L153-L158 HydrophobicContact CG-CD1 4.34Å; L153-L161 HydrophobicContact CD1-CD2 4.21Å; L153-L174 HydrophobicContact CD1-CD1 4.13Å; L153-D175 CarbonylContact C-O 3.25Å; L153-D175 WeakPolarHBondContact CA-O 3.47Å; L153-D175 WeakPolarHBondContact CB-O 3.48Å; L153-D175 PolarHBondContact N-O 3.02Å; L153-L176 HydrophobicContact CB-CD2 4.15Å; L153-L176 HydrophobicContact CD1-CD2 3.67Å; L153-N179 PolarHBondContact O-ND2 3.16Å
154	S	96.4	Very high	97	Very high	8 Å²	8	33.6 Å²	33.6	6%	0.056	20%	0.197	C	C	.	.			trans	-63.8	154.5	-175.2	34.9	0	0	0	0	113.6	Y131 S132 N156 D175 R177	Y131-S154 CarbonylContact C-O 3.23Å; Y131-S154 WeakPolarHBondContact CA-O 3.16Å; Y131-S154 WeakPolarHBondContact CB-O 3.11Å; Y131-S154 WeakPolarHBondContact CB-OG 3.37Å; S132-S154 PolarHBondContact N-O 3.09Å; S154-N156 PolarHBondContact O-ND2 3.18Å; S154-D175 WeakPolarHBondContact CB-OD1 3.5Å; S154-D175 WeakPolarHBondContact CB-OD2 3.49Å; S154-D175 PolarHBondContact N-O 3.28Å; S154-D175 PolarHBondContact OG-OD2 2.91Å; S154-R177 CarbonylContact C-O 3.26Å; S154-R177 WeakPolarHBondContact CA-O 3.29Å
155	E	96.2	Very high	97	Very high	78 Å²	78	31 Å²	31	36%	0.364	18%	0.18	S	C	.	.	S	Bend	trans	55.5	59	-179.6	-59.8	170.7	-148.2	0	0	112	S132 N133 R177 H178	S132-E155 CarbonylContact C-O 3.17Å; S132-E155 VanDerWaalsContact CA-O 3.25Å; S132-E155 WeakPolarHBondContact CA-O 3.4Å; S132-E155 WeakPolarHBondContact CB-OE2 3.25Å; S132-E155 PolarHBondContact N-O 2.84Å; S132-E155 PolarHBondContact OG-OE2 2.95Å; N133-E155 PolarHBondContact N-O 3.31Å; E155-R177 PolarHBondContact N-O 2.83Å; E155-H178 WeakPolarHBondContact CA-O 3.3Å; E155-H178 HydrophobicContact CB-CB 4.4Å; E155-H178 HydrophobicContact CG-CB 3.95Å; E155-H178 PolarHBondContact N-O 3.28Å
156	N	96.6	Very high	97	Very high	12 Å²	12	33.2 Å²	33.2	6%	0.064	19%	0.192	C	C	.	.	S	Bend	trans	-129.7	-159.2	176.7	-88.3	-76.7	0	0	0	110.2	L130 N133 K134 L135 L153 S154 L158 H178 N179	L130-N156 PolarHBondContact O-ND2 3.43Å; N133-N156 WeakPolarHBondContact CA-OD1 3.5Å; N133-N156 WeakPolarHBondContact CB-OD1 3.3Å; K134-N156 PolarHBondContact N-OD1 3.15Å; L135-N156 HydrophobicContact CB-CB 4.4Å; L135-N156 WeakPolarHBondContact CB-OD1 3.22Å; L135-N156 WeakPolarHBondContact CG-OD1 3.3Å; L135-N156 PolarHBondContact N-OD1 3.23Å; L153-N156 PolarHBondContact O-ND2 2.72Å; S154-N156 PolarHBondContact O-ND2 3.18Å; N156-L158 HydrophobicContact CB-CG 4.23Å; N156-H178 PolarHBondContact N-O 3.24Å; N156-H178 VanDerWaalsContact N-O 3.13Å; N156-N179 WeakPolarHBondContact CA-OD1 3.33Å; N156-N179 WeakPolarHBondContact CB-OD1 3.1Å
157	S	96.8	Very high	97	Very high	28 Å²	28	34 Å²	34	20%	0.196	19%	0.193	C	C	.	.			trans	-126.6	26.2	176	-77.6	0	0	0	0	112.5	L135 T159 N179 K180	L135-S157 CarbonylContact O-C 3.45Å; L135-S157 VanDerWaalsContact O-CA 3.23Å; L135-S157 WeakPolarHBondContact O-CA 3.43Å; L135-S157 WeakPolarHBondContact O-CB 3.43Å; L135-S157 PolarHBondContact O-N 2.82Å; S157-T159 PolarHBondContact O-N 3.16Å; S157-N179 PolarHBondContact N-OD1 2.97Å; S157-K180 WeakPolarHBondContact OG-CE 3.23Å; S157-K180 PolarHBondContact OG-NZ 2.73Å
158	L	97.2	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.18	C	C	.	.			trans	-61.4	132.2	-176.8	-60.7	175.1	0	0	0	111.3	L135 Q136 L138 L153 N156 L161 L176 N179 K180 L181	L135-L158 HydrophobicContact CB-CD2 4.01Å; L135-L158 PolarHBondContact O-N 2.59Å; Q136-L158 WeakPolarHBondContact O-CA 3.37Å; L138-L158 HydrophobicContact CG-CD2 4.49Å; L153-L158 HydrophobicContact CB-CD1 3.85Å; L153-L158 HydrophobicContact CD1-CD1 4.1Å; L153-L158 HydrophobicContact CD2-CD1 4.34Å; L153-L158 HydrophobicContact CG-CD1 4.34Å; N156-L158 HydrophobicContact CB-CG 4.23Å; L158-L161 HydrophobicContact CD1-CD2 4.33Å; L158-L176 HydrophobicContact CD1-CD2 4.11Å; L158-N179 HydrophobicContact CB-CB 4.27Å; L158-N179 VanDerWaalsContact CB-OD1 3.31Å; L158-N179 WeakPolarHBondContact CB-OD1 3.46Å; L158-N179 WeakPolarHBondContact CG-OD1 3.42Å; L158-N179 PolarHBondContact N-OD1 2.78Å; L158-K180 CarbonylContact O-C 3.46Å; L158-K180 WeakPolarHBondContact O-CA 3.37Å; L158-K180 PolarHBondContact O-N 2.83Å; L158-L181 PolarHBondContact O-N 3.38Å
159	T	96.1	Very high	96.9	Very high	88 Å²	88	36.6 Å²	36.6	54%	0.54	20%	0.202	S	C	.	.	S	Bend	trans	-109.4	-19.4	172.1	51.5	0	0	0	0	113.2	Q136 S157 K180	Q136-T159 PolarHBondContact O-N 3.48Å; S157-T159 PolarHBondContact O-N 3.16Å; T159-K180 HydrophobicContact CG2-CB 3.97Å
160	S	96.6	Very high	96.9	Very high	62 Å²	62	38.4 Å²	38.4	43%	0.434	21%	0.208	S	C	.	.			trans	-154.2	175.9	178.4	59.6	0	0	0	0	110.5
161	L	97.4	Very high	96.9	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.068	20%	0.201	C	C	.	.			trans	-130	143.6	174.8	-71.9	177.2	0	0	0	108.9	L138 L153 L158 L165 L176 P185 V187 V188	L138-L161 HydrophobicContact CD1-CD2 3.96Å; L153-L161 HydrophobicContact CD1-CD2 4.21Å; L158-L161 HydrophobicContact CD1-CD2 4.33Å; L161-L165 HydrophobicContact CB-CD1 3.75Å; L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD2-CD1 4.01Å; L161-L165 HydrophobicContact CG-CD1 4.24Å; L161-L176 HydrophobicContact CD1-CD1 3.91Å; L161-L176 HydrophobicContact CD1-CD2 4.02Å; L161-L176 HydrophobicContact CD2-CD2 4.08Å; L161-L176 HydrophobicContact CG-CD2 4.43Å; L161-P185 HydrophobicContact CB-CB 4.1Å; L161-P185 HydrophobicContact CB-CG 4.27Å; L161-P185 HydrophobicContact CD1-CB 4.44Å; L161-P185 HydrophobicContact CD1-CG 4.16Å; L161-P185 HydrophobicContact CG-CB 4.44Å; L161-P185 HydrophobicContact CG-CG 4.11Å; L161-V187 HydrophobicContact CB-CG1 3.73Å; L161-V188 HydrophobicContact CD1-CG2 3.83Å
162	P	96.8	Very high	96.9	Very high	24 Å²	24	44.2 Å²	44.2	16%	0.156	23%	0.227	C	C	.	.			trans	-68.9	141.8	179.4	28	-35.7	0	0	0	112	L138 S164 L165	L138-P162 HydrophobicContact CB-CG 4.07Å; P162-S164 PolarHBondContact O-N 3.04Å; P162-L165 HydrophobicContact CG-CD1 3.89Å; P162-L165 HydrophobicContact CG-CG 4.15Å; P162-L165 WeakPolarHBondContact O-CB 3.44Å; P162-L165 PolarHBondContact O-N 2.61Å; P162-L165 VanDerWaalsContact O-N 3.16Å
163	D	96.5	Very high	96.9	Very high	98 Å²	98	45.5 Å²	45.5	52%	0.524	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-59	-30.5	-177.8	-75.4	-59.8	0	0	0	114	L165 D166 V187 R190	D163-L165 PolarHBondContact O-N 3.33Å; D163-L165 VanDerWaalsContact O-N 3.09Å; D163-D166 WeakPolarHBondContact O-CB 3.04Å; D163-D166 PolarHBondContact O-N 3.06Å; D163-D166 VanDerWaalsContact O-N 3.12Å; D163-D166 VanDerWaalsContact O-OD1 3.09Å; D163-V187 WeakPolarHBondContact O-CG2 3.43Å; D163-R190 IonicContact OD1-CZ 2.76Å; D163-R190 IonicContact OD1-NH1 2.66Å; D163-R190 IonicContact OD1-NH2 3.51Å; D163-R190 PolarHBondContact OD1-NH2 3.09Å
164	S	96.5	Very high	97	Very high	28 Å²	28	45.6 Å²	45.6	20%	0.196	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-63.4	-11.1	178.9	58.2	0	0	0	0	114.8	A140 G143 P162 D166 N167	A140-S164 VanDerWaalsContact CA-OG 3.3Å; A140-S164 WeakPolarHBondContact CA-OG 3.17Å; A140-S164 WeakPolarHBondContact O-CB 3.38Å; A140-S164 PolarHBondContact O-OG 3.49Å; G143-S164 WeakPolarHBondContact CA-O 3.27Å; P162-S164 PolarHBondContact O-N 3.04Å; S164-D166 PolarHBondContact O-N 3.45Å; S164-N167 WeakPolarHBondContact O-CB 3.36Å; S164-N167 PolarHBondContact O-N 3.14Å; S164-N167 PolarHBondContact O-ND2 3.42Å
165	L	96.9	Very high	97.1	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-61	-20.9	169.9	-82.1	160.5	0	0	0	112.3	V142 L151 L161 P162 D163 N167 L168 V187 L191	V142-L165 HydrophobicContact CB-CD2 4.47Å; V142-L165 HydrophobicContact CG1-CD2 3.74Å; L151-L165 HydrophobicContact CD2-CD2 3.95Å; L161-L165 HydrophobicContact CB-CD1 3.75Å; L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD2-CD1 4.01Å; L161-L165 HydrophobicContact CG-CD1 4.24Å; P162-L165 HydrophobicContact CG-CD1 3.89Å; P162-L165 HydrophobicContact CG-CG 4.15Å; P162-L165 WeakPolarHBondContact O-CB 3.44Å; P162-L165 PolarHBondContact O-N 2.61Å; P162-L165 VanDerWaalsContact O-N 3.16Å; D163-L165 PolarHBondContact O-N 3.33Å; D163-L165 VanDerWaalsContact O-N 3.09Å; L165-N167 PolarHBondContact O-N 2.76Å; L165-N167 VanDerWaalsContact O-N 3.1Å; L165-L168 HydrophobicContact CD2-CD1 3.49Å; L165-L168 VanDerWaalsContact CD2-CD1 3.49Å; L165-L168 HydrophobicContact CD2-CG 4.18Å; L165-L168 VanDerWaalsContact O-CB 3.32Å; L165-L168 WeakPolarHBondContact O-CB 3.34Å; L165-L168 WeakPolarHBondContact O-CG 3.49Å; L165-L168 PolarHBondContact O-N 2.97Å; L165-V187 HydrophobicContact CB-CG2 3.77Å; L165-L191 VanDerWaalsContact O-CD2 3.26Å; L165-L191 WeakPolarHBondContact O-CD2 3.35Å
166	D	96.4	Very high	97.2	Very high	46 Å²	46	41.5 Å²	41.5	25%	0.246	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-58.5	-20.2	175.1	64.9	-2.2	0	0	0	114.4	D163 S164 L168 K169 V187 R190	D163-D166 WeakPolarHBondContact O-CB 3.04Å; D163-D166 PolarHBondContact O-N 3.06Å; D163-D166 VanDerWaalsContact O-N 3.12Å; D163-D166 VanDerWaalsContact O-OD1 3.09Å; S164-D166 PolarHBondContact O-N 3.45Å; D166-L168 PolarHBondContact O-N 3.03Å; D166-K169 WeakPolarHBondContact O-CD 3.18Å; D166-K169 WeakPolarHBondContact O-CE 3.43Å; D166-K169 PolarHBondContact O-NZ 2.81Å; D166-V187 HydrophobicContact CB-CG2 4.09Å; D166-R190 HydrophobicContact CB-CB 4.11Å; D166-R190 IonicContact OD2-NE 3.79Å
167	N	96.4	Very high	97.2	Very high	86 Å²	86	42.7 Å²	42.7	46%	0.46	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-68.4	-15.4	172.3	-66.7	-72.6	0	0	0	113.6	G143 S164 L165 K169	G143-N167 WeakPolarHBondContact O-CB 3.33Å; S164-N167 WeakPolarHBondContact O-CB 3.36Å; S164-N167 PolarHBondContact O-N 3.14Å; S164-N167 PolarHBondContact O-ND2 3.42Å; L165-N167 PolarHBondContact O-N 2.76Å; L165-N167 VanDerWaalsContact O-N 3.1Å; N167-K169 PolarHBondContact O-N 3.25Å
168	L	97.3	Very high	97.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.			trans	-79.4	58.8	-177.3	-56.7	-164.6	0	0	0	112.7	L145 L148 L165 D166 K170 L171 L191	L145-L168 HydrophobicContact CB-CD2 4.22Å; L145-L168 VanDerWaalsContact O-CD2 3.26Å; L145-L168 WeakPolarHBondContact O-CD2 3.1Å; L148-L168 HydrophobicContact CB-CD1 4.36Å; L148-L168 HydrophobicContact CD2-CD1 3.91Å; L165-L168 HydrophobicContact CD2-CD1 3.49Å; L165-L168 VanDerWaalsContact CD2-CD1 3.49Å; L165-L168 HydrophobicContact CD2-CG 4.18Å; L165-L168 VanDerWaalsContact O-CB 3.32Å; L165-L168 WeakPolarHBondContact O-CB 3.34Å; L165-L168 WeakPolarHBondContact O-CG 3.49Å; L165-L168 PolarHBondContact O-N 2.97Å; D166-L168 PolarHBondContact O-N 3.03Å; L168-K170 PolarHBondContact O-N 2.88Å; L168-L171 HydrophobicContact CB-CB 4.09Å; L168-L171 WeakPolarHBondContact O-CB 3.2Å; L168-L171 PolarHBondContact O-N 3.4Å; L168-L191 HydrophobicContact CB-CD2 4.49Å
169	K	96.2	Very high	97.2	Very high	107 Å²	107	46 Å²	46	47%	0.465	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	3.6	-176.6	-58	-51.9	-169.8	-161.1	0	115.8	D166 N167 R190 S193	D166-K169 WeakPolarHBondContact O-CD 3.18Å; D166-K169 WeakPolarHBondContact O-CE 3.43Å; D166-K169 PolarHBondContact O-NZ 2.81Å; N167-K169 PolarHBondContact O-N 3.25Å; K169-R190 PolarHBondContact NZ-O 3.21Å; K169-S193 WeakPolarHBondContact O-CB 3.41Å; K169-S193 PolarHBondContact O-OG 3.47Å
170	K	98	Very high	97.3	Very high	101 Å²	101	45.9 Å²	45.9	44%	0.439	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	0.5	172.9	-59	-170.6	-165.7	171.5	0	113.1	N147 L148 L168 R172	N147-K170 PolarHBondContact OD1-NZ 3.23Å; L148-K170 CarbonylContact O-C 3.22Å; L148-K170 VanDerWaalsContact O-C 3.26Å; L168-K170 PolarHBondContact O-N 2.88Å; K170-R172 PolarHBondContact O-N 3.01Å
171	L	98.3	Very high	97.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.202	C	C	.	.			trans	-71.5	114.4	-173.3	-165.8	75.2	0	0	0	110.9	L148 L151 L168 L174 L191 S193 L194	L148-L171 HydrophobicContact CB-CD1 4.38Å; L148-L171 HydrophobicContact CD2-CD1 4.06Å; L148-L171 HydrophobicContact CG-CD1 4.07Å; L148-L171 VanDerWaalsContact O-CA 3.27Å; L148-L171 WeakPolarHBondContact O-CA 3.46Å; L148-L171 PolarHBondContact O-N 3Å; L151-L171 HydrophobicContact CB-CD1 3.79Å; L151-L171 HydrophobicContact CB-CD2 4.43Å; L168-L171 HydrophobicContact CB-CB 4.09Å; L168-L171 WeakPolarHBondContact O-CB 3.2Å; L168-L171 PolarHBondContact O-N 3.4Å; L171-L174 HydrophobicContact CD2-CB 4.17Å; L171-L174 HydrophobicContact CD2-CD1 4.47Å; L171-L191 HydrophobicContact CD2-CD1 4.08Å; L171-S193 PolarHBondContact N-OG 3.34Å; L171-S193 CarbonylContact O-C 3.27Å; L171-S193 PolarHBondContact O-OG 2.99Å; L171-L194 HydrophobicContact CD2-CD2 4.1Å; L171-L194 HydrophobicContact CG-CD2 4.13Å; L171-L194 WeakPolarHBondContact O-CA 3.35Å; L171-L194 PolarHBondContact O-N 3.47Å; L171-L194 VanDerWaalsContact O-N 3.14Å
172	R	98.2	Very high	97.2	Very high	145 Å²	145	51.2 Å²	51.2	55%	0.547	23%	0.232	S	C	.	.			trans	-96.8	-39.2	-179.6	-61.9	-177.7	-176.9	-172.9	-1.1	112	M149 K170 T195 T196	M149-R172 PolarHBondContact O-N 2.94Å; K170-R172 PolarHBondContact O-N 3.01Å; R172-T195 HydrophobicContact CB-CG2 4.49Å; R172-T195 PolarHBondContact O-N 3.39Å; R172-T195 PolarHBondContact O-OG1 3.05Å; R172-T196 PolarHBondContact O-N 2.86Å
173	M	98.3	Very high	97.2	Very high	27 Å²	27	55.6 Å²	55.6	13%	0.133	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124	-177.3	-164.4	-162.1	92.4	0	0	111.6	I72 M149 T150 L151 A152 D175 T196 Y198	I72-M173 HydrophobicContact CD1-CE 3.42Å; I72-M173 VanDerWaalsContact CD1-CE 3.42Å; I72-M173 HydrophobicContact CD1-SD 4.41Å; I72-M173 HydrophobicContact CG1-CE 3.72Å; I72-M173 HydrophobicContact CG1-SD 4.05Å; M149-M173 PolarHBondContact O-N 2.94Å; T150-M173 HydrophobicContact CG2-CB 4.45Å; T150-M173 HydrophobicContact CG2-CE 3.58Å; T150-M173 HydrophobicContact CG2-SD 4.21Å; L151-M173 PolarHBondContact N-O 3.13Å; A152-M173 HydrophobicContact CB-CE 4.48Å; M173-D175 HydrophobicContact CE-CB 4.09Å; M173-T196 WeakPolarHBondContact CA-O 3.36Å; M173-T196 HydrophobicContact CG-CG2 3.95Å; M173-Y198 HydrophobicContact CG-CE2 4.35Å; M173-Y198 HydrophobicContact SD-CE2 4.32Å
174	L	98.3	Very high	97.3	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.2	172.1	179.3	56.8	0	0	0	109.9	L151 L153 L171 L176 V188 L191 L194 T196 L197 Y198	L151-L174 HydrophobicContact CB-CD1 4.12Å; L151-L174 HydrophobicContact CD2-CD1 4.03Å; L151-L174 HydrophobicContact CG-CD1 4.03Å; L153-L174 HydrophobicContact CD1-CD1 4.13Å; L171-L174 HydrophobicContact CD2-CB 4.17Å; L171-L174 HydrophobicContact CD2-CD1 4.47Å; L174-L176 HydrophobicContact CD1-CD1 4.34Å; L174-L176 HydrophobicContact CD1-CD2 4.33Å; L174-L176 HydrophobicContact CD1-CG 4.08Å; L174-L176 HydrophobicContact CD2-CD1 3.88Å; L174-L176 HydrophobicContact CD2-CG 4.5Å; L174-L176 HydrophobicContact CG-CD1 3.88Å; L174-L176 HydrophobicContact CG-CG 4Å; L174-V188 HydrophobicContact CD2-CG1 4.35Å; L174-V188 HydrophobicContact CD2-CG2 4.14Å; L174-L191 HydrophobicContact CD2-CD1 4.04Å; L174-L194 HydrophobicContact CB-CD1 4.48Å; L174-L194 HydrophobicContact CB-CD2 3.73Å; L174-L194 HydrophobicContact CD2-CD1 4.46Å; L174-T196 PolarHBondContact N-O 2.72Å; L174-L197 HydrophobicContact CB-CD1 4.09Å; L174-L197 HydrophobicContact CD2-CD1 4.11Å; L174-L197 HydrophobicContact CG-CD1 4.11Å; L174-Y198 PolarHBondContact O-N 3.29Å
175	D	97.9	Very high	97.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.8	177.1	172.7	22	0	0	0	111.3	I72 L151 A152 L153 S154 M173 R177 Y198	I72-D175 HydrophobicContact CD1-CB 3.93Å; I72-D175 WeakPolarHBondContact CD1-OD2 3.23Å; L151-D175 PolarHBondContact O-N 3.43Å; A152-D175 HydrophobicContact CB-CB 4.46Å; L153-D175 CarbonylContact C-O 3.25Å; L153-D175 WeakPolarHBondContact CA-O 3.47Å; L153-D175 WeakPolarHBondContact CB-O 3.48Å; L153-D175 PolarHBondContact N-O 3.02Å; S154-D175 WeakPolarHBondContact CB-OD1 3.5Å; S154-D175 WeakPolarHBondContact CB-OD2 3.49Å; S154-D175 PolarHBondContact N-O 3.28Å; S154-D175 PolarHBondContact OG-OD2 2.91Å; M173-D175 HydrophobicContact CE-CB 4.09Å; D175-R177 VanDerWaalsContact CG-NE 3.33Å; D175-R177 WeakPolarHBondContact OD1-CB 3.35Å; D175-R177 WeakPolarHBondContact OD1-CG 3.13Å; D175-R177 IonicContact OD1-CZ 2.68Å; D175-R177 PolarHBondContact OD1-N 3.38Å; D175-R177 IonicContact OD1-NE 3.71Å; D175-R177 PolarHBondContact OD1-NE 2.9Å; D175-R177 IonicContact OD1-NH2 3.19Å; D175-R177 IonicContact OD2-CZ 2.96Å; D175-R177 IonicContact OD2-NE 3.4Å; D175-R177 PolarHBondContact OD2-NE 3.43Å; D175-R177 IonicContact OD2-NH2 2.72Å; D175-R177 PolarHBondContact OD2-NH2 3Å; D175-Y198 HydrophobicContact CB-CD2 4.19Å
176	L	97.7	Very high	97.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.239	C	C	.	.			trans	-118.5	17.2	-178.1	-67.7	163.5	0	0	0	112.2	L153 L158 L161 L174 N179 L181 L197 Y198 L199 N202	L153-L176 HydrophobicContact CB-CD2 4.15Å; L153-L176 HydrophobicContact CD1-CD2 3.67Å; L158-L176 HydrophobicContact CD1-CD2 4.11Å; L161-L176 HydrophobicContact CD1-CD1 3.91Å; L161-L176 HydrophobicContact CD1-CD2 4.02Å; L161-L176 HydrophobicContact CD2-CD2 4.08Å; L161-L176 HydrophobicContact CG-CD2 4.43Å; L174-L176 HydrophobicContact CD1-CD1 4.34Å; L174-L176 HydrophobicContact CD1-CD2 4.33Å; L174-L176 HydrophobicContact CD1-CG 4.08Å; L174-L176 HydrophobicContact CD2-CD1 3.88Å; L174-L176 HydrophobicContact CD2-CG 4.5Å; L174-L176 HydrophobicContact CG-CD1 3.88Å; L174-L176 HydrophobicContact CG-CG 4Å; L176-N179 WeakPolarHBondContact O-CB 3.31Å; L176-N179 PolarHBondContact O-ND2 2.81Å; L176-L181 HydrophobicContact CB-CD1 4.05Å; L176-L181 HydrophobicContact CD1-CD1 4.15Å; L176-L181 HydrophobicContact CG-CD1 4.49Å; L176-L197 HydrophobicContact CD1-CD1 4.5Å; L176-Y198 WeakPolarHBondContact CA-O 3.12Å; L176-Y198 PolarHBondContact N-O 3.46Å; L176-L199 HydrophobicContact CB-CD2 3.91Å; L176-L199 HydrophobicContact CD1-CD2 3.73Å; L176-L199 HydrophobicContact CG-CD2 4.49Å; L176-N202 PolarHBondContact O-ND2 3.33Å
177	R	97.6	Very high	97.3	Very high	37 Å²	37	50.8 Å²	50.8	14%	0.14	23%	0.228	C	C	.	.			trans	-61.8	153.9	-175.4	-63.9	173.1	-70.9	-177.2	-8.8	113.3	N70 S154 E155 D175 N179 R200	N70-R177 PolarHBondContact O-NH1 3.34Å; S154-R177 CarbonylContact C-O 3.26Å; S154-R177 WeakPolarHBondContact CA-O 3.29Å; E155-R177 PolarHBondContact N-O 2.83Å; D175-R177 VanDerWaalsContact CG-NE 3.33Å; D175-R177 WeakPolarHBondContact OD1-CB 3.35Å; D175-R177 WeakPolarHBondContact OD1-CG 3.13Å; D175-R177 IonicContact OD1-CZ 2.68Å; D175-R177 PolarHBondContact OD1-N 3.38Å; D175-R177 IonicContact OD1-NE 3.71Å; D175-R177 PolarHBondContact OD1-NE 2.9Å; D175-R177 IonicContact OD1-NH2 3.19Å; D175-R177 IonicContact OD2-CZ 2.96Å; D175-R177 IonicContact OD2-NE 3.4Å; D175-R177 PolarHBondContact OD2-NE 3.43Å; D175-R177 IonicContact OD2-NH2 2.72Å; D175-R177 PolarHBondContact OD2-NH2 3Å; R177-N179 PolarHBondContact O-N 2.62Å; R177-N179 PolarHBondContact O-ND2 3.11Å; R177-R200 CarbonylContact C-O 3.5Å; R177-R200 WeakPolarHBondContact CA-O 3.28Å; R177-R200 WeakPolarHBondContact CB-O 3.13Å; R177-R200 HydrophobicContact CG-CB 3.87Å
178	H	96.5	Very high	97.4	Very high	85 Å²	85	46.7 Å²	46.7	39%	0.394	21%	0.206	S	C	.	.	S	Bend	trans	52	55.6	178.5	-63.6	-85.5	0	0	0	112.3	E155 N156 R200 F201	E155-H178 WeakPolarHBondContact CA-O 3.3Å; E155-H178 HydrophobicContact CB-CB 4.4Å; E155-H178 HydrophobicContact CG-CB 3.95Å; E155-H178 PolarHBondContact N-O 3.28Å; N156-H178 PolarHBondContact N-O 3.24Å; N156-H178 VanDerWaalsContact N-O 3.13Å; H178-R200 PolarHBondContact N-O 2.82Å; H178-F201 WeakPolarHBondContact CA-O 3.35Å; H178-F201 AromaticContact CE1-CD2 3.04Å; H178-F201 WeakPolarHBondContact CE1-CD2 3.39Å; H178-F201 AromaticContact CE1-CE2 3.57Å; H178-F201 AromaticContact CE1-CG 3.55Å; H178-F201 PolarHBondContact N-O 2.97Å; H178-F201 AromaticContact ND1-CD2 3.73Å; H178-F201 AromaticContact ND1-CG 3.78Å; H178-F201 AromaticContact NE2-CD2 3.33Å; H178-F201 VanDerWaalsContact NE2-CD2 3.33Å; H178-F201 WeakPolarHBondContact NE2-CD2 3.37Å; H178-F201 AromaticContact NE2-CE2 3.92Å
179	N	97.6	Very high	97.4	Very high	11 Å²	11	46.9 Å²	46.9	6%	0.059	21%	0.207	C	C	.	.	S	Bend	trans	-123.7	-163.9	174.5	-86	-71.4	0	0	0	110.2	L153 N156 S157 L158 L176 R177 L181 F201 N202	L153-N179 PolarHBondContact O-ND2 3.16Å; N156-N179 WeakPolarHBondContact CA-OD1 3.33Å; N156-N179 WeakPolarHBondContact CB-OD1 3.1Å; S157-N179 PolarHBondContact N-OD1 2.97Å; L158-N179 HydrophobicContact CB-CB 4.27Å; L158-N179 VanDerWaalsContact CB-OD1 3.31Å; L158-N179 WeakPolarHBondContact CB-OD1 3.46Å; L158-N179 WeakPolarHBondContact CG-OD1 3.42Å; L158-N179 PolarHBondContact N-OD1 2.78Å; L176-N179 WeakPolarHBondContact O-CB 3.31Å; L176-N179 PolarHBondContact O-ND2 2.81Å; R177-N179 PolarHBondContact O-N 2.62Å; R177-N179 PolarHBondContact O-ND2 3.11Å; N179-L181 HydrophobicContact CB-CG 4.35Å; N179-F201 PolarHBondContact N-O 3.33Å; N179-N202 VanDerWaalsContact CA-OD1 3.29Å; N179-N202 WeakPolarHBondContact CA-OD1 3.49Å; N179-N202 WeakPolarHBondContact CB-OD1 3.47Å; N179-N202 PolarHBondContact N-OD1 3.15Å; N179-N202 PolarHBondContact O-OD1 3.04Å
180	K	97	Very high	97.4	Very high	86 Å²	86	45.9 Å²	45.9	37%	0.374	20%	0.2	S	C	.	.			trans	-119.5	20.9	-176.3	-66.8	171.6	179.3	162.2	0	112.4	S157 L158 T159 R182 N202	S157-K180 WeakPolarHBondContact OG-CE 3.23Å; S157-K180 PolarHBondContact OG-NZ 2.73Å; L158-K180 CarbonylContact O-C 3.46Å; L158-K180 WeakPolarHBondContact O-CA 3.37Å; L158-K180 PolarHBondContact O-N 2.83Å; T159-K180 HydrophobicContact CG2-CB 3.97Å; K180-R182 PolarHBondContact O-N 2.94Å; K180-N202 PolarHBondContact N-OD1 3.34Å
181	L	97.1	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.18	C	C	.	.			trans	-61.8	128.8	-179.8	-58	176.6	0	0	0	110.4	L158 L176 N179 P185 L199 N202 R203 I204	L158-L181 PolarHBondContact O-N 3.38Å; L176-L181 HydrophobicContact CB-CD1 4.05Å; L176-L181 HydrophobicContact CD1-CD1 4.15Å; L176-L181 HydrophobicContact CG-CD1 4.49Å; N179-L181 HydrophobicContact CB-CG 4.35Å; L181-P185 HydrophobicContact CD2-CG 4Å; L181-L199 HydrophobicContact CD1-CD2 3.91Å; L181-N202 HydrophobicContact CB-CB 4.22Å; L181-N202 WeakPolarHBondContact CB-OD1 3.09Å; L181-N202 WeakPolarHBondContact CG-OD1 3.38Å; L181-N202 PolarHBondContact N-OD1 2.94Å; L181-N202 VanDerWaalsContact N-OD1 3.14Å; L181-R203 CarbonylContact O-C 3.15Å; L181-R203 VanDerWaalsContact O-C 3.26Å; L181-R203 VanDerWaalsContact O-CA 3.28Å; L181-R203 WeakPolarHBondContact O-CA 3.4Å; L181-R203 WeakPolarHBondContact O-CB 3.39Å; L181-R203 PolarHBondContact O-N 2.8Å; L181-I204 HydrophobicContact CB-CG1 4.38Å; L181-I204 PolarHBondContact O-N 2.66Å
182	R	96.4	Very high	97.3	Very high	188 Å²	188	44.3 Å²	44.3	71%	0.709	20%	0.196	S	C	*	.	S	Bend	trans	-93.4	-17	175.8	-63.8	-175.6	-176.6	-174.9	1.3	113.3	K180 I204 T205	K180-R182 PolarHBondContact O-N 2.94Å; R182-I204 VanDerWaalsContact O-CA 3.3Å; R182-I204 WeakPolarHBondContact O-CA 3.37Å; R182-T205 PolarHBondContact O-N 3.18Å; R182-T205 VanDerWaalsContact O-N 3.14Å; R182-T205 PolarHBondContact O-OG1 2.95Å
183	E	96.9	Very high	97.2	Very high	115 Å²	115	38 Å²	38	54%	0.537	18%	0.175	S	C	.	.	S	Bend	trans	-149.6	166.9	-179.9	64.8	-160.6	-173.1	0	0	107.4	P185	E183-P185 WeakPolarHBondContact O-CD 3.48Å
184	I	97.3	Very high	97.2	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	17%	0.168	C	C	.	.			trans	-77.6	119.8	167.9	-59.2	177.3	0	0	0	106.8	S186 V188 Y189 L199 I204 V207	I184-S186 PolarHBondContact O-N 3.03Å; I184-V188 HydrophobicContact CG2-CB 3.82Å; I184-V188 HydrophobicContact CG2-CG1 3.98Å; I184-V188 HydrophobicContact CG2-CG2 4.2Å; I184-Y189 HydrophobicContact CB-CE1 4.44Å; I184-Y189 HydrophobicContact CB-CE2 4.42Å; I184-Y189 WeakPolarHBondContact CB-OH 3.19Å; I184-Y189 HydrophobicContact CG2-CE1 4.05Å; I184-Y189 HydrophobicContact CG2-CE2 4.32Å; I184-L199 HydrophobicContact CD1-CD1 3.7Å; I184-L199 HydrophobicContact CG1-CD1 3.78Å; I184-I204 HydrophobicContact CG1-CD1 4.08Å; I184-I204 HydrophobicContact CG1-CG2 4.18Å; I184-V207 HydrophobicContact CD1-CG1 4.26Å; I184-V207 HydrophobicContact CD1-CG2 4.14Å
185	P	96.8	Very high	97.2	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.065	18%	0.181	C	C	.	.			trans	-59	136.3	-177.3	-25.5	35.4	0	0	0	111.8	L161 L181 E183 V187 V188	L161-P185 HydrophobicContact CB-CB 4.1Å; L161-P185 HydrophobicContact CB-CG 4.27Å; L161-P185 HydrophobicContact CD1-CB 4.44Å; L161-P185 HydrophobicContact CD1-CG 4.16Å; L161-P185 HydrophobicContact CG-CB 4.44Å; L161-P185 HydrophobicContact CG-CG 4.11Å; L181-P185 HydrophobicContact CD2-CG 4Å; E183-P185 WeakPolarHBondContact O-CD 3.48Å; P185-V187 HydrophobicContact CB-CG1 4.22Å; P185-V187 PolarHBondContact O-N 2.91Å; P185-V188 HydrophobicContact CB-CG2 4.36Å; P185-V188 VanDerWaalsContact O-CB 3.31Å; P185-V188 WeakPolarHBondContact O-CB 3.18Å; P185-V188 WeakPolarHBondContact O-CG2 3.33Å; P185-V188 PolarHBondContact O-N 2.99Å
186	S	96.3	Very high	97.2	Very high	59 Å²	59	39.9 Å²	39.9	41%	0.413	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.1	-171.7	70.1	0	0	0	0	114.5	I184 V188 Y189 R190	I184-S186 PolarHBondContact O-N 3.03Å; S186-V188 PolarHBondContact O-N 3.1Å; S186-Y189 PolarHBondContact O-N 3.13Å; S186-R190 PolarHBondContact O-NH1 3.35Å; S186-R190 PolarHBondContact OG-NH1 2.91Å
187	V	97.4	Very high	97.3	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.7	174.1	67.6	0	0	0	0	113.2	L161 D163 L165 D166 P185 Y189 R190	L161-V187 HydrophobicContact CB-CG1 3.73Å; D163-V187 WeakPolarHBondContact O-CG2 3.43Å; L165-V187 HydrophobicContact CB-CG2 3.77Å; D166-V187 HydrophobicContact CB-CG2 4.09Å; P185-V187 HydrophobicContact CB-CG1 4.22Å; P185-V187 PolarHBondContact O-N 2.91Å; V187-Y189 VanDerWaalsContact C-N 3.31Å; V187-Y189 PolarHBondContact O-N 3.42Å; V187-R190 WeakPolarHBondContact O-CB 3.41Å; V187-R190 PolarHBondContact O-N 2.77Å
188	V	97.9	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-61.7	-41.4	178.8	179.7	0	0	0	0	110.5	L161 L174 I184 P185 S186 R190 L191 L194 L197 L214	L161-V188 HydrophobicContact CD1-CG2 3.83Å; L174-V188 HydrophobicContact CD2-CG1 4.35Å; L174-V188 HydrophobicContact CD2-CG2 4.14Å; I184-V188 HydrophobicContact CG2-CB 3.82Å; I184-V188 HydrophobicContact CG2-CG1 3.98Å; I184-V188 HydrophobicContact CG2-CG2 4.2Å; P185-V188 HydrophobicContact CB-CG2 4.36Å; P185-V188 VanDerWaalsContact O-CB 3.31Å; P185-V188 WeakPolarHBondContact O-CB 3.18Å; P185-V188 WeakPolarHBondContact O-CG2 3.33Å; P185-V188 PolarHBondContact O-N 2.99Å; S186-V188 PolarHBondContact O-N 3.1Å; V188-R190 PolarHBondContact O-N 2.9Å; V188-R190 VanDerWaalsContact O-N 3.13Å; V188-L191 WeakPolarHBondContact O-CB 3.42Å; V188-L191 PolarHBondContact O-N 3.34Å; V188-L191 VanDerWaalsContact O-N 3.1Å; V188-L194 HydrophobicContact CG1-CD1 4.18Å; V188-L197 HydrophobicContact CG1-CD1 4.15Å; V188-L197 HydrophobicContact CG1-CD2 3.8Å; V188-L214 WeakPolarHBondContact O-CD2 3.17Å
189	Y	97.6	Very high	97.3	Very high	5 Å²	5	35 Å²	35	2%	0.02	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-65.8	-12.1	176.9	-53.3	-61.3	0	0	0	113.9	I184 S186 V187 E208 D210 I211 N213	I184-Y189 HydrophobicContact CB-CE1 4.44Å; I184-Y189 HydrophobicContact CB-CE2 4.42Å; I184-Y189 WeakPolarHBondContact CB-OH 3.19Å; I184-Y189 HydrophobicContact CG2-CE1 4.05Å; I184-Y189 HydrophobicContact CG2-CE2 4.32Å; S186-Y189 PolarHBondContact O-N 3.13Å; V187-Y189 VanDerWaalsContact C-N 3.31Å; V187-Y189 PolarHBondContact O-N 3.42Å; Y189-E208 HydrophobicContact CE2-CB 3.86Å; Y189-E208 HydrophobicContact CE2-CG 4.04Å; Y189-E208 WeakPolarHBondContact CE2-OE2 3.23Å; Y189-E208 WeakPolarHBondContact OH-CB 3.11Å; Y189-E208 PolarHBondContact OH-N 3.31Å; Y189-D210 HydrophobicContact CD1-CB 4.46Å; Y189-D210 HydrophobicContact CD2-CB 4.22Å; Y189-D210 HydrophobicContact CG-CB 3.98Å; Y189-I211 HydrophobicContact CD1-CB 4.41Å; Y189-I211 HydrophobicContact CD1-CD1 4.31Å; Y189-I211 HydrophobicContact CE1-CB 4.1Å; Y189-I211 HydrophobicContact CE1-CD1 3.93Å; Y189-N213 WeakPolarHBondContact O-CB 3.04Å
190	R	97.3	Very high	97.2	Very high	85 Å²	85	37.9 Å²	37.9	32%	0.321	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-92.8	2.4	176.2	-54.1	-165.7	-66.4	-89.1	8	113.2	D163 D166 K169 S186 V187 V188 D192	D163-R190 IonicContact OD1-CZ 2.76Å; D163-R190 IonicContact OD1-NH1 2.66Å; D163-R190 IonicContact OD1-NH2 3.51Å; D163-R190 PolarHBondContact OD1-NH2 3.09Å; D166-R190 HydrophobicContact CB-CB 4.11Å; D166-R190 IonicContact OD2-NE 3.79Å; K169-R190 PolarHBondContact NZ-O 3.21Å; S186-R190 PolarHBondContact O-NH1 3.35Å; S186-R190 PolarHBondContact OG-NH1 2.91Å; V187-R190 WeakPolarHBondContact O-CB 3.41Å; V187-R190 PolarHBondContact O-N 2.77Å; V188-R190 PolarHBondContact O-N 2.9Å; V188-R190 VanDerWaalsContact O-N 3.13Å; R190-D192 PolarHBondContact O-N 2.83Å
191	L	97.1	Very high	97.2	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	17%	0.173	C	C	.	.			trans	-97.2	65.5	-179.5	-57.2	173.8	0	0	0	111.7	L165 L168 L171 L174 V188 S193 L194 L214	L165-L191 VanDerWaalsContact O-CD2 3.26Å; L165-L191 WeakPolarHBondContact O-CD2 3.35Å; L168-L191 HydrophobicContact CB-CD2 4.49Å; L171-L191 HydrophobicContact CD2-CD1 4.08Å; L174-L191 HydrophobicContact CD2-CD1 4.04Å; V188-L191 WeakPolarHBondContact O-CB 3.42Å; V188-L191 PolarHBondContact O-N 3.34Å; V188-L191 VanDerWaalsContact O-N 3.1Å; L191-S193 PolarHBondContact O-N 3.14Å; L191-L194 HydrophobicContact CB-CD1 3.69Å; L191-L194 HydrophobicContact CB-CG 3.8Å; L191-L194 HydrophobicContact CD1-CD1 4.02Å; L191-L194 WeakPolarHBondContact O-CB 3.45Å; L191-L194 PolarHBondContact O-N 3.44Å; L191-L214 WeakPolarHBondContact O-CD2 3.31Å
192	D	95.5	Very high	97.2	Very high	66 Å²	66	37.9 Å²	37.9	35%	0.353	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-6	179.3	64.5	6.8	0	0	0	116.7	R190 K216	R190-D192 PolarHBondContact O-N 2.83Å; D192-K216 PolarHBondContact O-NZ 3.36Å
193	S	97.5	Very high	97.2	Very high	13 Å²	13	35.6 Å²	35.6	9%	0.091	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-10.2	178.2	32.2	0	0	0	0	113.3	K169 L171 L191 T195	K169-S193 WeakPolarHBondContact O-CB 3.41Å; K169-S193 PolarHBondContact O-OG 3.47Å; L171-S193 PolarHBondContact N-OG 3.34Å; L171-S193 CarbonylContact O-C 3.27Å; L171-S193 PolarHBondContact O-OG 2.99Å; L191-S193 PolarHBondContact O-N 3.14Å; S193-T195 PolarHBondContact O-N 2.83Å
194	L	98.3	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.			trans	-63.5	125.5	-179.1	-76.3	175.7	0	0	0	111.8	L171 L174 V188 L191 L214 K216 L217	L171-L194 HydrophobicContact CD2-CD2 4.1Å; L171-L194 HydrophobicContact CG-CD2 4.13Å; L171-L194 WeakPolarHBondContact O-CA 3.35Å; L171-L194 PolarHBondContact O-N 3.47Å; L171-L194 VanDerWaalsContact O-N 3.14Å; L174-L194 HydrophobicContact CB-CD1 4.48Å; L174-L194 HydrophobicContact CB-CD2 3.73Å; L174-L194 HydrophobicContact CD2-CD1 4.46Å; V188-L194 HydrophobicContact CG1-CD1 4.18Å; L191-L194 HydrophobicContact CB-CD1 3.69Å; L191-L194 HydrophobicContact CB-CG 3.8Å; L191-L194 HydrophobicContact CD1-CD1 4.02Å; L191-L194 WeakPolarHBondContact O-CB 3.45Å; L191-L194 PolarHBondContact O-N 3.44Å; L194-L214 HydrophobicContact CD1-CD2 4.36Å; L194-K216 CarbonylContact O-C 3.39Å; L194-K216 VanDerWaalsContact O-C 3.29Å; L194-L217 HydrophobicContact CB-CD1 4.25Å; L194-L217 WeakPolarHBondContact O-CA 3.15Å; L194-L217 PolarHBondContact O-N 3.35Å
195	T	98.2	Very high	97.2	Very high	47 Å²	47	33.2 Å²	33.2	29%	0.288	16%	0.162	S	C	.	.	S	Bend	trans	-100.7	-22.2	168.5	62.3	0	0	0	0	111.9	R172 S193 S218 M219	R172-T195 HydrophobicContact CB-CG2 4.49Å; R172-T195 PolarHBondContact O-N 3.39Å; R172-T195 PolarHBondContact O-OG1 3.05Å; S193-T195 PolarHBondContact O-N 2.83Å; T195-S218 PolarHBondContact O-N 3.44Å; T195-S218 PolarHBondContact O-OG 3.46Å; T195-M219 PolarHBondContact O-N 3.39Å; T195-M219 VanDerWaalsContact O-N 3.11Å
196	T	98.3	Very high	97.2	Very high	22 Å²	22	35.8 Å²	35.8	14%	0.135	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	121.3	-171	-52.3	0	0	0	0	111.5	R172 M173 L174 Y198 M219	R172-T196 PolarHBondContact O-N 2.86Å; M173-T196 WeakPolarHBondContact CA-O 3.36Å; M173-T196 HydrophobicContact CG-CG2 3.95Å; L174-T196 PolarHBondContact N-O 2.72Å; T196-Y198 HydrophobicContact CG2-CD2 3.96Å; T196-Y198 HydrophobicContact CG2-CE1 4.48Å; T196-Y198 HydrophobicContact CG2-CE2 3.33Å; T196-M219 WeakPolarHBondContact CA-O 3.39Å; T196-M219 HydrophobicContact CG2-CB 4.08Å; T196-M219 HydrophobicContact CG2-CG 3.92Å
197	L	98.3	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	115.6	179.9	-179.8	57.8	0	0	0	111.2	L174 L176 V188 L199 L214 L217 M219 L220 S221	L174-L197 HydrophobicContact CB-CD1 4.09Å; L174-L197 HydrophobicContact CD2-CD1 4.11Å; L174-L197 HydrophobicContact CG-CD1 4.11Å; L176-L197 HydrophobicContact CD1-CD1 4.5Å; V188-L197 HydrophobicContact CG1-CD1 4.15Å; V188-L197 HydrophobicContact CG1-CD2 3.8Å; L197-L199 HydrophobicContact CD1-CD1 4.23Å; L197-L199 HydrophobicContact CD1-CG 4.15Å; L197-L199 HydrophobicContact CD2-CD1 3.82Å; L197-L199 HydrophobicContact CG-CD1 3.83Å; L197-L199 HydrophobicContact CG-CG 4.12Å; L197-L214 HydrophobicContact CD2-CD1 4.06Å; L197-L217 HydrophobicContact CB-CD1 3.88Å; L197-M219 PolarHBondContact N-O 3.26Å; L197-L220 HydrophobicContact CB-CD1 4.17Å; L197-L220 HydrophobicContact CD2-CD1 3.99Å; L197-L220 HydrophobicContact CG-CD1 4.16Å; L197-S221 PolarHBondContact O-N 3.32Å
198	Y	98	Very high	97.2	Very high	20 Å²	20	37.5 Å²	37.5	8%	0.078	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.4	175.8	-58.4	-78.5	0	0	0	111.5	N70 M173 L174 D175 L176 T196 M219	N70-Y198 HydrophobicContact CB-CE1 4.27Å; N70-Y198 WeakPolarHBondContact OD1-CE1 3.25Å; M173-Y198 HydrophobicContact CG-CE2 4.35Å; M173-Y198 HydrophobicContact SD-CE2 4.32Å; L174-Y198 PolarHBondContact O-N 3.29Å; D175-Y198 HydrophobicContact CB-CD2 4.19Å; L176-Y198 WeakPolarHBondContact CA-O 3.12Å; L176-Y198 PolarHBondContact N-O 3.46Å; T196-Y198 HydrophobicContact CG2-CD2 3.96Å; T196-Y198 HydrophobicContact CG2-CE1 4.48Å; T196-Y198 HydrophobicContact CG2-CE2 3.33Å; Y198-M219 HydrophobicContact CD1-CE 4.26Å; Y198-M219 HydrophobicContact CE1-CE 3.62Å; Y198-M219 HydrophobicContact CE1-CG 4.37Å
199	L	97.4	Very high	97.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.			trans	-126.2	9.8	-178.2	-73.2	161.3	0	0	0	112.6	L176 L181 I184 L197 N202 I204 S221 I222 N225	L176-L199 HydrophobicContact CB-CD2 3.91Å; L176-L199 HydrophobicContact CD1-CD2 3.73Å; L176-L199 HydrophobicContact CG-CD2 4.49Å; L181-L199 HydrophobicContact CD1-CD2 3.91Å; I184-L199 HydrophobicContact CD1-CD1 3.7Å; I184-L199 HydrophobicContact CG1-CD1 3.78Å; L197-L199 HydrophobicContact CD1-CD1 4.23Å; L197-L199 HydrophobicContact CD1-CG 4.15Å; L197-L199 HydrophobicContact CD2-CD1 3.82Å; L197-L199 HydrophobicContact CG-CD1 3.83Å; L197-L199 HydrophobicContact CG-CG 4.12Å; L199-N202 PolarHBondContact O-ND2 2.89Å; L199-I204 HydrophobicContact CB-CD1 3.91Å; L199-I204 HydrophobicContact CD1-CD1 4.27Å; L199-I204 HydrophobicContact CD2-CD1 3.92Å; L199-I204 HydrophobicContact CG-CD1 4.26Å; L199-S221 WeakPolarHBondContact CA-O 3.37Å; L199-S221 PolarHBondContact N-O 3.26Å; L199-I222 HydrophobicContact CB-CG2 3.86Å; L199-I222 HydrophobicContact CD1-CG2 3.63Å; L199-I222 HydrophobicContact CG-CG2 4.39Å; L199-N225 PolarHBondContact O-ND2 2.87Å; L199-N225 VanDerWaalsContact O-ND2 3.09Å
200	R	95.8	Very high	97.2	Very high	71 Å²	71	45.9 Å²	45.9	27%	0.268	22%	0.219	S	C	.	.			trans	-53.1	141.3	-177.6	-175.4	-174.7	174.2	-176.3	1.6	113.6	R177 H178 S221 R223 E224	R177-R200 CarbonylContact C-O 3.5Å; R177-R200 WeakPolarHBondContact CA-O 3.28Å; R177-R200 WeakPolarHBondContact CB-O 3.13Å; R177-R200 HydrophobicContact CG-CB 3.87Å; H178-R200 PolarHBondContact N-O 2.82Å; R200-S221 PolarHBondContact N-O 2.85Å; R200-R223 WeakPolarHBondContact CA-O 3.3Å; R200-R223 HydrophobicContact CB-CB 4.45Å; R200-R223 HydrophobicContact CG-CB 4Å; R200-R223 HydrophobicContact CG-CG 4.07Å; R200-R223 WeakPolarHBondContact CG-O 3.4Å; R200-E224 HydrophobicContact CG-CB 4.25Å; R200-E224 HydrophobicContact CG-CG 4.38Å; R200-E224 IonicContact NH2-OE1 3.81Å
201	F	95.6	Very high	97.2	Very high	70 Å²	70	41.8 Å²	41.8	31%	0.307	20%	0.204	S	C	.	.	S	Bend	trans	57.8	62.7	-179.8	-73.2	-67.1	0	0	0	111.9	H178 N179 R223 E224	H178-F201 WeakPolarHBondContact CA-O 3.35Å; H178-F201 AromaticContact CE1-CD2 3.04Å; H178-F201 WeakPolarHBondContact CE1-CD2 3.39Å; H178-F201 AromaticContact CE1-CE2 3.57Å; H178-F201 AromaticContact CE1-CG 3.55Å; H178-F201 PolarHBondContact N-O 2.97Å; H178-F201 AromaticContact ND1-CD2 3.73Å; H178-F201 AromaticContact ND1-CG 3.78Å; H178-F201 AromaticContact NE2-CD2 3.33Å; H178-F201 VanDerWaalsContact NE2-CD2 3.33Å; H178-F201 WeakPolarHBondContact NE2-CD2 3.37Å; H178-F201 AromaticContact NE2-CE2 3.92Å; N179-F201 PolarHBondContact N-O 3.33Å; F201-R223 PolarHBondContact N-O 2.8Å; F201-R223 VanDerWaalsContact N-O 3.13Å; F201-E224 VanDerWaalsContact CA-O 3.23Å; F201-E224 WeakPolarHBondContact CA-O 3.37Å; F201-E224 HydrophobicContact CD1-CB 3.45Å; F201-E224 VanDerWaalsContact CD1-CB 3.45Å; F201-E224 HydrophobicContact CD1-CG 3.9Å; F201-E224 HydrophobicContact CD2-CB 4.36Å; F201-E224 HydrophobicContact CD2-CG 4.42Å; F201-E224 HydrophobicContact CE1-CB 3.68Å; F201-E224 HydrophobicContact CE1-CG 3.57Å; F201-E224 WeakPolarHBondContact CE1-OE1 3.46Å; F201-E224 WeakPolarHBondContact CE1-OE2 3.38Å; F201-E224 HydrophobicContact CE2-CG 4.19Å; F201-E224 HydrophobicContact CG-CB 3.83Å; F201-E224 HydrophobicContact CG-CG 4.31Å; F201-E224 HydrophobicContact CZ-CB 4.26Å; F201-E224 VanDerWaalsContact CZ-CD 3.47Å; F201-E224 HydrophobicContact CZ-CG 3.74Å; F201-E224 WeakPolarHBondContact CZ-OE1 3.19Å; F201-E224 PolarHBondContact N-O 2.76Å
202	N	97.4	Very high	97.2	Very high	16 Å²	16	44.9 Å²	44.9	9%	0.086	22%	0.217	C	C	.	.	S	Bend	trans	-122.6	-151.8	168	-86.3	-78	0	0	0	108.7	L176 N179 K180 L181 L199 I204 E224 N225	L176-N202 PolarHBondContact O-ND2 3.33Å; N179-N202 VanDerWaalsContact CA-OD1 3.29Å; N179-N202 WeakPolarHBondContact CA-OD1 3.49Å; N179-N202 WeakPolarHBondContact CB-OD1 3.47Å; N179-N202 PolarHBondContact N-OD1 3.15Å; N179-N202 PolarHBondContact O-OD1 3.04Å; K180-N202 PolarHBondContact N-OD1 3.34Å; L181-N202 HydrophobicContact CB-CB 4.22Å; L181-N202 WeakPolarHBondContact CB-OD1 3.09Å; L181-N202 WeakPolarHBondContact CG-OD1 3.38Å; L181-N202 PolarHBondContact N-OD1 2.94Å; L181-N202 VanDerWaalsContact N-OD1 3.14Å; L199-N202 PolarHBondContact O-ND2 2.89Å; N202-I204 HydrophobicContact CB-CD1 4.03Å; N202-I204 HydrophobicContact CB-CG1 3.98Å; N202-E224 PolarHBondContact N-O 2.81Å; N202-N225 VanDerWaalsContact CA-OD1 3.25Å; N202-N225 WeakPolarHBondContact CA-OD1 3.41Å; N202-N225 WeakPolarHBondContact CB-OD1 2.92Å; N202-N225 PolarHBondContact N-OD1 2.7Å
203	R	96.9	Very high	97.3	Very high	140 Å²	140	45.4 Å²	45.4	53%	0.528	22%	0.22	S	C	.	.			trans	-131.5	27.3	177.8	-56.7	176.3	179.7	-175.5	-4.2	110.7	L181 T205 N225	L181-R203 CarbonylContact O-C 3.15Å; L181-R203 VanDerWaalsContact O-C 3.26Å; L181-R203 VanDerWaalsContact O-CA 3.28Å; L181-R203 WeakPolarHBondContact O-CA 3.4Å; L181-R203 WeakPolarHBondContact O-CB 3.39Å; L181-R203 PolarHBondContact O-N 2.8Å; R203-T205 PolarHBondContact O-N 3.04Å; R203-N225 PolarHBondContact N-OD1 3.29Å
204	I	97.8	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.			trans	-65.5	124.7	-172.7	-61.2	165.7	0	0	0	109.2	L181 R182 I184 L199 N202 T206 N225 K226 I227	L181-I204 HydrophobicContact CB-CG1 4.38Å; L181-I204 PolarHBondContact O-N 2.66Å; R182-I204 VanDerWaalsContact O-CA 3.3Å; R182-I204 WeakPolarHBondContact O-CA 3.37Å; I184-I204 HydrophobicContact CG1-CD1 4.08Å; I184-I204 HydrophobicContact CG1-CG2 4.18Å; L199-I204 HydrophobicContact CB-CD1 3.91Å; L199-I204 HydrophobicContact CD1-CD1 4.27Å; L199-I204 HydrophobicContact CD2-CD1 3.92Å; L199-I204 HydrophobicContact CG-CD1 4.26Å; N202-I204 HydrophobicContact CB-CD1 4.03Å; N202-I204 HydrophobicContact CB-CG1 3.98Å; I204-T206 VanDerWaalsContact CG2-O 3.25Å; I204-T206 WeakPolarHBondContact CG2-O 3.49Å; I204-N225 HydrophobicContact CB-CB 4.2Å; I204-N225 WeakPolarHBondContact CB-OD1 3.2Å; I204-N225 WeakPolarHBondContact CG1-OD1 3.33Å; I204-N225 PolarHBondContact N-OD1 3.08Å; I204-K226 CarbonylContact O-C 3.46Å; I204-K226 VanDerWaalsContact O-C 3.23Å; I204-K226 WeakPolarHBondContact O-CA 3.45Å; I204-K226 PolarHBondContact O-N 3.49Å; I204-I227 HydrophobicContact CB-CD1 4.44Å; I204-I227 HydrophobicContact CB-CG1 4.36Å; I204-I227 HydrophobicContact CG2-CD1 3.99Å; I204-I227 HydrophobicContact CG2-CG1 3.97Å; I204-I227 WeakPolarHBondContact O-CG1 3.16Å; I204-I227 PolarHBondContact O-N 3.03Å
205	T	96.6	Very high	97.1	Very high	70 Å²	70	47.6 Å²	47.6	43%	0.429	24%	0.235	S	C	.	.			trans	-98.7	-23.4	178.5	48.1	0	0	0	0	114	R182 R203 K226	R182-T205 PolarHBondContact O-N 3.18Å; R182-T205 VanDerWaalsContact O-N 3.14Å; R182-T205 PolarHBondContact O-OG1 2.95Å; R203-T205 PolarHBondContact O-N 3.04Å; T205-K226 WeakPolarHBondContact CA-O 3.5Å; T205-K226 HydrophobicContact CG2-CB 4.14Å
206	T	95.5	Very high	97.1	Very high	64 Å²	64	50.3 Å²	50.3	39%	0.393	24%	0.243	S	C	.	.			trans	-143.9	147.4	-170.1	40.7	0	0	0	0	110.7	I204	I204-T206 VanDerWaalsContact CG2-O 3.25Å; I204-T206 WeakPolarHBondContact CG2-O 3.49Å
207	V	97.1	Very high	97.1	Very high	14 Å²	14	49.3 Å²	49.3	9%	0.085	24%	0.237	C	C	.	.			trans	-114.2	129	165.5	-179.8	0	0	0	0	106.2	I184 I211 I222 I227 L230 P231	I184-V207 HydrophobicContact CD1-CG1 4.26Å; I184-V207 HydrophobicContact CD1-CG2 4.14Å; V207-I211 HydrophobicContact CG1-CB 4.05Å; V207-I211 HydrophobicContact CG1-CD1 4.21Å; V207-I211 HydrophobicContact CG1-CG1 4.13Å; V207-I211 HydrophobicContact CG1-CG2 4.37Å; V207-I222 HydrophobicContact CG2-CD1 4.09Å; V207-I227 HydrophobicContact CG2-CD1 3.93Å; V207-I227 HydrophobicContact CG2-CG2 4.33Å; V207-L230 HydrophobicContact CG2-CD2 4.14Å; V207-P231 HydrophobicContact CB-CG 4.34Å; V207-P231 HydrophobicContact CG1-CG 4.04Å
208	E	96.9	Very high	97.1	Very high	82 Å²	82	51 Å²	51	38%	0.383	25%	0.249	S	C	.	.			trans	-86.2	155.8	-176.1	-56.1	-171.6	142.1	0	0	111.3	Y189 D210 I211	Y189-E208 HydrophobicContact CE2-CB 3.86Å; Y189-E208 HydrophobicContact CE2-CG 4.04Å; Y189-E208 WeakPolarHBondContact CE2-OE2 3.23Å; Y189-E208 WeakPolarHBondContact OH-CB 3.11Å; Y189-E208 PolarHBondContact OH-N 3.31Å; E208-D210 PolarHBondContact O-N 3.21Å; E208-I211 WeakPolarHBondContact O-CB 3.46Å; E208-I211 WeakPolarHBondContact O-CG2 3.45Å; E208-I211 PolarHBondContact O-N 3.11Å; E208-I211 VanDerWaalsContact O-N 3.07Å
209	K	97.4	Very high	97	Very high	123 Å²	123	50.8 Å²	50.8	54%	0.535	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-53.4	-26.5	176.7	60.2	174.8	-172.8	178.6	0	114.2	I211 K212 E233	K209-I211 PolarHBondContact O-N 3.07Å; K209-I211 VanDerWaalsContact O-N 3.11Å; K209-K212 WeakPolarHBondContact O-CG 3.33Å; K209-K212 PolarHBondContact O-N 3.17Å; K209-E233 HydrophobicContact CB-CB 4.4Å; K209-E233 HydrophobicContact CB-CG 3.89Å; K209-E233 VanDerWaalsContact CB-OE1 3.29Å; K209-E233 WeakPolarHBondContact CB-OE1 3.47Å; K209-E233 VanDerWaalsContact O-CB 3.24Å; K209-E233 WeakPolarHBondContact O-CB 3.39Å
210	D	97.7	Very high	97.1	Very high	58 Å²	58	50.8 Å²	50.8	31%	0.31	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-72.1	-1.2	-178.6	-62.8	-38.7	0	0	0	112.8	Y189 E208 K212 N213	Y189-D210 HydrophobicContact CD1-CB 4.46Å; Y189-D210 HydrophobicContact CD2-CB 4.22Å; Y189-D210 HydrophobicContact CG-CB 3.98Å; E208-D210 PolarHBondContact O-N 3.21Å; D210-K212 PolarHBondContact O-N 2.85Å; D210-K212 VanDerWaalsContact O-N 3.17Å; D210-N213 WeakPolarHBondContact O-CB 3.45Å; D210-N213 PolarHBondContact O-N 3.41Å; D210-N213 VanDerWaalsContact O-N 3.08Å; D210-N213 PolarHBondContact O-ND2 3.02Å
211	I	97.8	Very high	97.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-51	-33.8	167.8	-165.1	69.8	0	0	0	112.7	Y189 V207 E208 K209 N213 L214 L220 P231 E233 I234 L237	Y189-I211 HydrophobicContact CD1-CB 4.41Å; Y189-I211 HydrophobicContact CD1-CD1 4.31Å; Y189-I211 HydrophobicContact CE1-CB 4.1Å; Y189-I211 HydrophobicContact CE1-CD1 3.93Å; V207-I211 HydrophobicContact CG1-CB 4.05Å; V207-I211 HydrophobicContact CG1-CD1 4.21Å; V207-I211 HydrophobicContact CG1-CG1 4.13Å; V207-I211 HydrophobicContact CG1-CG2 4.37Å; E208-I211 WeakPolarHBondContact O-CB 3.46Å; E208-I211 WeakPolarHBondContact O-CG2 3.45Å; E208-I211 PolarHBondContact O-N 3.11Å; E208-I211 VanDerWaalsContact O-N 3.07Å; K209-I211 PolarHBondContact O-N 3.07Å; K209-I211 VanDerWaalsContact O-N 3.11Å; I211-N213 PolarHBondContact O-N 3.11Å; I211-N213 VanDerWaalsContact O-N 3.11Å; I211-L214 HydrophobicContact CD1-CD1 3.89Å; I211-L214 WeakPolarHBondContact O-CB 3.41Å; I211-L214 PolarHBondContact O-N 3.08Å; I211-L220 HydrophobicContact CD1-CD2 4.45Å; I211-P231 HydrophobicContact CG2-CG 3.9Å; I211-E233 HydrophobicContact CG2-CB 4.4Å; I211-I234 HydrophobicContact CG1-CD1 4.03Å; I211-I234 HydrophobicContact CG2-CD1 4.33Å; I211-L237 HydrophobicContact CG1-CD1 4.18Å
212	K	97.1	Very high	97.2	Very high	67 Å²	67	44.1 Å²	44.1	29%	0.291	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-56.7	-25.7	177.2	63.3	-177.5	176.5	179.9	0	115.3	K209 D210 L214 S215 E233 E236	K209-K212 WeakPolarHBondContact O-CG 3.33Å; K209-K212 PolarHBondContact O-N 3.17Å; D210-K212 PolarHBondContact O-N 2.85Å; D210-K212 VanDerWaalsContact O-N 3.17Å; K212-L214 PolarHBondContact O-N 3.2Å; K212-S215 PolarHBondContact O-N 2.89Å; K212-E233 HydrophobicContact CB-CB 4.23Å; K212-E233 HydrophobicContact CD-CB 4.24Å; K212-E233 HydrophobicContact CD-CG 4.05Å; K212-E236 HydrophobicContact CB-CB 3.79Å; K212-E236 HydrophobicContact CB-CG 4.25Å; K212-E236 VanDerWaalsContact CD-CD 3.43Å; K212-E236 WeakPolarHBondContact CD-OE1 3.21Å; K212-E236 WeakPolarHBondContact CD-OE2 3.07Å; K212-E236 IonicContact NZ-OE1 3.65Å; K212-E236 PolarHBondContact NZ-OE1 3.27Å
213	N	97.3	Very high	97.1	Very high	76 Å²	76	44.6 Å²	44.6	41%	0.406	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-64.4	-21.5	178.8	-63.1	-26.5	0	0	0	111.4	Y189 D210 I211 S215	Y189-N213 WeakPolarHBondContact O-CB 3.04Å; D210-N213 WeakPolarHBondContact O-CB 3.45Å; D210-N213 PolarHBondContact O-N 3.41Å; D210-N213 VanDerWaalsContact O-N 3.08Å; D210-N213 PolarHBondContact O-ND2 3.02Å; I211-N213 PolarHBondContact O-N 3.11Å; I211-N213 VanDerWaalsContact O-N 3.11Å; N213-S215 PolarHBondContact O-N 3.12Å
214	L	97.3	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.			trans	-78.7	45.6	175	-51.8	-172.3	0	0	0	112.3	V188 L191 L194 L197 I211 K212 K216 L217 L237	V188-L214 WeakPolarHBondContact O-CD2 3.17Å; L191-L214 WeakPolarHBondContact O-CD2 3.31Å; L194-L214 HydrophobicContact CD1-CD2 4.36Å; L197-L214 HydrophobicContact CD2-CD1 4.06Å; I211-L214 HydrophobicContact CD1-CD1 3.89Å; I211-L214 WeakPolarHBondContact O-CB 3.41Å; I211-L214 PolarHBondContact O-N 3.08Å; K212-L214 PolarHBondContact O-N 3.2Å; L214-K216 PolarHBondContact O-N 3.24Å; L214-L217 HydrophobicContact CB-CB 4.05Å; L214-L217 HydrophobicContact CB-CD2 4.33Å; L214-L217 HydrophobicContact CD1-CD2 4.2Å; L214-L217 WeakPolarHBondContact O-CB 3.48Å; L214-L217 PolarHBondContact O-N 3.13Å; L214-L237 HydrophobicContact CB-CD2 4.34Å; L214-L237 WeakPolarHBondContact O-CD2 3.43Å
215	S	95.1	Very high	97.2	Very high	59 Å²	59	41.2 Å²	41.2	41%	0.413	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.5	-173.5	56.8	0	0	0	0	115.7	K212 N213 N239	K212-S215 PolarHBondContact O-N 2.89Å; N213-S215 PolarHBondContact O-N 3.12Å; S215-N239 PolarHBondContact O-ND2 3.07Å
216	K	97.6	Very high	97.2	Very high	105 Å²	105	43.4 Å²	43.4	46%	0.457	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.4	175.8	-56.2	-168.4	-169.7	90.9	0	114.1	D192 L194 L214 S218	D192-K216 PolarHBondContact O-NZ 3.36Å; L194-K216 CarbonylContact O-C 3.39Å; L194-K216 VanDerWaalsContact O-C 3.29Å; L214-K216 PolarHBondContact O-N 3.24Å; K216-S218 PolarHBondContact O-N 2.97Å
217	L	98.1	Very high	97.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.198	C	C	.	.			trans	-69.8	118.9	-172.7	-164.2	72	0	0	0	110.8	L194 L197 L214 L220 L237 N239 L240	L194-L217 HydrophobicContact CB-CD1 4.25Å; L194-L217 WeakPolarHBondContact O-CA 3.15Å; L194-L217 PolarHBondContact O-N 3.35Å; L197-L217 HydrophobicContact CB-CD1 3.88Å; L214-L217 HydrophobicContact CB-CB 4.05Å; L214-L217 HydrophobicContact CB-CD2 4.33Å; L214-L217 HydrophobicContact CD1-CD2 4.2Å; L214-L217 WeakPolarHBondContact O-CB 3.48Å; L214-L217 PolarHBondContact O-N 3.13Å; L217-L220 HydrophobicContact CD2-CB 3.84Å; L217-L220 HydrophobicContact CD2-CD1 4.18Å; L217-L220 HydrophobicContact CD2-CD2 4.24Å; L217-L220 HydrophobicContact CD2-CG 4.3Å; L217-L237 HydrophobicContact CD2-CD1 4.17Å; L217-N239 CarbonylContact O-C 3.51Å; L217-L240 HydrophobicContact CG-CD1 4.44Å; L217-L240 WeakPolarHBondContact O-CA 3.47Å; L217-L240 PolarHBondContact O-N 3.03Å
218	S	97.9	Very high	97.3	Very high	35 Å²	35	45.3 Å²	45.3	25%	0.245	22%	0.218	C	C	.	.			trans	-101.7	-23.9	178.6	68.9	0	0	0	0	112.7	T195 K216 N239 I241 T242	T195-S218 PolarHBondContact O-N 3.44Å; T195-S218 PolarHBondContact O-OG 3.46Å; K216-S218 PolarHBondContact O-N 2.97Å; S218-N239 WeakPolarHBondContact CA-O 3.42Å; S218-I241 PolarHBondContact O-N 3.19Å; S218-T242 PolarHBondContact O-N 2.94Å
219	M	97.8	Very high	97.3	Very high	15 Å²	15	48 Å²	48	7%	0.074	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	115.7	-174.7	172.7	52.5	-179.7	0	0	110.8	V68 N70 T195 T196 L197 Y198 T242	V68-M219 HydrophobicContact CG1-CE 3.64Å; V68-M219 HydrophobicContact CG1-SD 4.25Å; N70-M219 WeakPolarHBondContact OD1-CE 3.2Å; T195-M219 PolarHBondContact O-N 3.39Å; T195-M219 VanDerWaalsContact O-N 3.11Å; T196-M219 WeakPolarHBondContact CA-O 3.39Å; T196-M219 HydrophobicContact CG2-CB 4.08Å; T196-M219 HydrophobicContact CG2-CG 3.92Å; L197-M219 PolarHBondContact N-O 3.26Å; Y198-M219 HydrophobicContact CD1-CE 4.26Å; Y198-M219 HydrophobicContact CE1-CE 3.62Å; Y198-M219 HydrophobicContact CE1-CG 4.37Å; M219-T242 HydrophobicContact CE-CG2 4.23Å; M219-T242 VanDerWaalsContact SD-CB 3.52Å; M219-T242 HydrophobicContact SD-CG2 3.48Å; M219-T242 WeakPolarHBondContact SD-CG2 3.14Å
220	L	97.9	Very high	97.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	116.9	174.8	-179.5	55.8	0	0	0	110.3	L197 I211 L217 I222 I234 L240 T242 L243 D244	L197-L220 HydrophobicContact CB-CD1 4.17Å; L197-L220 HydrophobicContact CD2-CD1 3.99Å; L197-L220 HydrophobicContact CG-CD1 4.16Å; I211-L220 HydrophobicContact CD1-CD2 4.45Å; L217-L220 HydrophobicContact CD2-CB 3.84Å; L217-L220 HydrophobicContact CD2-CD1 4.18Å; L217-L220 HydrophobicContact CD2-CD2 4.24Å; L217-L220 HydrophobicContact CD2-CG 4.3Å; L220-I222 HydrophobicContact CD1-CG2 3.92Å; L220-I222 HydrophobicContact CG-CG2 4.41Å; L220-I234 HydrophobicContact CD2-CD1 4.02Å; L220-L240 HydrophobicContact CB-CD1 3.99Å; L220-T242 PolarHBondContact N-O 3.14Å; L220-L243 HydrophobicContact CB-CD1 4.04Å; L220-L243 HydrophobicContact CD2-CD1 3.92Å; L220-L243 HydrophobicContact CG-CD1 4.05Å; L220-D244 PolarHBondContact O-N 3.41Å
221	S	97	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	102.5	174.6	175.6	0	0	0	0	110.8	L197 L199 R200 D244	L197-S221 PolarHBondContact O-N 3.32Å; L199-S221 WeakPolarHBondContact CA-O 3.37Å; L199-S221 PolarHBondContact N-O 3.26Å; R200-S221 PolarHBondContact N-O 2.85Å; S221-D244 CarbonylContact C-O 3.47Å; S221-D244 WeakPolarHBondContact CA-O 3.46Å; S221-D244 PolarHBondContact OG-OD2 3.25Å
222	I	96.4	Very high	97.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.216	C	C	.	.			trans	-111.1	18.3	176.1	48.6	168.9	0	0	0	111.8	L199 V207 L220 N225 I227 L230 D244 V245 N248	L199-I222 HydrophobicContact CB-CG2 3.86Å; L199-I222 HydrophobicContact CD1-CG2 3.63Å; L199-I222 HydrophobicContact CG-CG2 4.39Å; V207-I222 HydrophobicContact CG2-CD1 4.09Å; L220-I222 HydrophobicContact CD1-CG2 3.92Å; L220-I222 HydrophobicContact CG-CG2 4.41Å; I222-N225 WeakPolarHBondContact O-CB 3.25Å; I222-N225 PolarHBondContact O-ND2 2.91Å; I222-I227 HydrophobicContact CB-CD1 3.86Å; I222-I227 HydrophobicContact CD1-CD1 3.58Å; I222-I227 HydrophobicContact CG1-CD1 4.13Å; I222-L230 HydrophobicContact CD1-CD2 3.81Å; I222-D244 PolarHBondContact N-O 3.46Å; I222-V245 HydrophobicContact CD1-CB 4.27Å; I222-V245 HydrophobicContact CD1-CG1 3.58Å; I222-V245 HydrophobicContact CG1-CB 4.16Å; I222-V245 HydrophobicContact CG1-CG1 3.59Å; I222-N248 PolarHBondContact O-ND2 2.7Å
223	R	96.9	Very high	97.3	Very high	25 Å²	25	42.2 Å²	42.2	9%	0.094	21%	0.213	C	C	.	.			trans	-50.9	151.1	175.9	173.4	173.1	-158.9	127.4	4.7	114.4	R200 F201 N225 D244 A246 H247 D267	R200-R223 WeakPolarHBondContact CA-O 3.3Å; R200-R223 HydrophobicContact CB-CB 4.45Å; R200-R223 HydrophobicContact CG-CB 4Å; R200-R223 HydrophobicContact CG-CG 4.07Å; R200-R223 WeakPolarHBondContact CG-O 3.4Å; F201-R223 PolarHBondContact N-O 2.8Å; F201-R223 VanDerWaalsContact N-O 3.13Å; R223-N225 PolarHBondContact O-ND2 3.19Å; R223-D244 WeakPolarHBondContact CB-OD1 3.34Å; R223-D244 WeakPolarHBondContact CB-OD2 3.13Å; R223-D244 WeakPolarHBondContact CD-OD1 3.48Å; R223-D244 WeakPolarHBondContact CD-OD2 3.35Å; R223-D244 PolarHBondContact N-O 3.34Å; R223-D244 IonicContact NH1-OD1 2.73Å; R223-D244 PolarHBondContact NH1-OD1 3.22Å; R223-A246 CarbonylContact C-O 3.11Å; R223-A246 WeakPolarHBondContact CA-O 3.5Å; R223-A246 HydrophobicContact CG-CB 4.34Å; R223-A246 WeakPolarHBondContact CG-O 3.33Å; R223-H247 PolarHBondContact NH2-CD2 3.12Å; R223-H247 PolarHBondContact NH2-NE2 3.15Å; R223-D267 IonicContact CZ-OD2 2.69Å; R223-D267 IonicContact NH1-OD2 3.6Å; R223-D267 PolarHBondContact NH1-OD2 3.49Å
224	E	97.3	Very high	97.3	Very high	56 Å²	56	38.6 Å²	38.6	26%	0.262	19%	0.194	S	C	.	.	S	Bend	trans	56.4	59.9	176.2	-59.4	-99	-154	0	0	111.4	R200 F201 N202 A246 H247	R200-E224 HydrophobicContact CG-CB 4.25Å; R200-E224 HydrophobicContact CG-CG 4.38Å; R200-E224 IonicContact NH2-OE1 3.81Å; F201-E224 VanDerWaalsContact CA-O 3.23Å; F201-E224 WeakPolarHBondContact CA-O 3.37Å; F201-E224 HydrophobicContact CD1-CB 3.45Å; F201-E224 VanDerWaalsContact CD1-CB 3.45Å; F201-E224 HydrophobicContact CD1-CG 3.9Å; F201-E224 HydrophobicContact CD2-CB 4.36Å; F201-E224 HydrophobicContact CD2-CG 4.42Å; F201-E224 HydrophobicContact CE1-CB 3.68Å; F201-E224 HydrophobicContact CE1-CG 3.57Å; F201-E224 WeakPolarHBondContact CE1-OE1 3.46Å; F201-E224 WeakPolarHBondContact CE1-OE2 3.38Å; F201-E224 HydrophobicContact CE2-CG 4.19Å; F201-E224 HydrophobicContact CG-CB 3.83Å; F201-E224 HydrophobicContact CG-CG 4.31Å; F201-E224 HydrophobicContact CZ-CB 4.26Å; F201-E224 VanDerWaalsContact CZ-CD 3.47Å; F201-E224 HydrophobicContact CZ-CG 3.74Å; F201-E224 WeakPolarHBondContact CZ-OE1 3.19Å; F201-E224 PolarHBondContact N-O 2.76Å; N202-E224 PolarHBondContact N-O 2.81Å; E224-A246 PolarHBondContact N-O 3.16Å; E224-H247 WeakPolarHBondContact CA-O 3.37Å; E224-H247 HydrophobicContact CB-CB 4.43Å; E224-H247 HydrophobicContact CG-CB 3.84Å; E224-H247 PolarHBondContact N-O 3.19Å; E224-H247 VanDerWaalsContact N-O 3.15Å; E224-H247 IonicContact OE1-ND1 2.65Å
225	N	97.9	Very high	97.2	Very high	14 Å²	14	38.8 Å²	38.8	8%	0.075	20%	0.196	C	C	.	.	S	Bend	trans	-135.9	-159	177.2	-85	-73.1	0	0	0	109.3	L199 N202 R203 I204 I222 R223 I227 H247 N248	L199-N225 PolarHBondContact O-ND2 2.87Å; L199-N225 VanDerWaalsContact O-ND2 3.09Å; N202-N225 VanDerWaalsContact CA-OD1 3.25Å; N202-N225 WeakPolarHBondContact CA-OD1 3.41Å; N202-N225 WeakPolarHBondContact CB-OD1 2.92Å; N202-N225 PolarHBondContact N-OD1 2.7Å; R203-N225 PolarHBondContact N-OD1 3.29Å; I204-N225 HydrophobicContact CB-CB 4.2Å; I204-N225 WeakPolarHBondContact CB-OD1 3.2Å; I204-N225 WeakPolarHBondContact CG1-OD1 3.33Å; I204-N225 PolarHBondContact N-OD1 3.08Å; I222-N225 WeakPolarHBondContact O-CB 3.25Å; I222-N225 PolarHBondContact O-ND2 2.91Å; R223-N225 PolarHBondContact O-ND2 3.19Å; N225-I227 HydrophobicContact CB-CD1 4.19Å; N225-I227 HydrophobicContact CB-CG1 4.14Å; N225-H247 PolarHBondContact N-O 2.62Å; N225-H247 VanDerWaalsContact N-O 3.12Å; N225-N248 WeakPolarHBondContact CA-OD1 3.34Å; N225-N248 WeakPolarHBondContact CB-OD1 3.29Å
226	K	97.4	Very high	97.3	Very high	116 Å²	116	40.7 Å²	40.7	50%	0.504	20%	0.198	S	C	.	.			trans	-127.9	32.3	-178.1	-60	-168.4	174.4	-161.8	0	111.8	I204 T205 K228 N248	I204-K226 CarbonylContact O-C 3.46Å; I204-K226 VanDerWaalsContact O-C 3.23Å; I204-K226 WeakPolarHBondContact O-CA 3.45Å; I204-K226 PolarHBondContact O-N 3.49Å; T205-K226 WeakPolarHBondContact CA-O 3.5Å; T205-K226 HydrophobicContact CG2-CB 4.14Å; K226-K228 PolarHBondContact O-N 2.94Å; K226-N248 PolarHBondContact N-OD1 3.22Å
227	I	97.6	Very high	97.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.177	C	C	.	.			trans	-77	124.8	-172.5	-58.4	169.7	0	0	0	109	I204 V207 I222 N225 Q229 L230 N248 Q249 L250	I204-I227 HydrophobicContact CB-CD1 4.44Å; I204-I227 HydrophobicContact CB-CG1 4.36Å; I204-I227 HydrophobicContact CG2-CD1 3.99Å; I204-I227 HydrophobicContact CG2-CG1 3.97Å; I204-I227 WeakPolarHBondContact O-CG1 3.16Å; I204-I227 PolarHBondContact O-N 3.03Å; V207-I227 HydrophobicContact CG2-CD1 3.93Å; V207-I227 HydrophobicContact CG2-CG2 4.33Å; I222-I227 HydrophobicContact CB-CD1 3.86Å; I222-I227 HydrophobicContact CD1-CD1 3.58Å; I222-I227 HydrophobicContact CG1-CD1 4.13Å; N225-I227 HydrophobicContact CB-CD1 4.19Å; N225-I227 HydrophobicContact CB-CG1 4.14Å; I227-Q229 VanDerWaalsContact CG2-O 3.28Å; I227-Q229 WeakPolarHBondContact CG2-O 3.48Å; I227-L230 HydrophobicContact CG2-CD2 4.2Å; I227-N248 HydrophobicContact CB-CB 4.39Å; I227-N248 WeakPolarHBondContact CB-OD1 3.49Å; I227-N248 WeakPolarHBondContact CG1-OD1 3.38Å; I227-N248 PolarHBondContact N-OD1 3.15Å; I227-Q249 CarbonylContact O-C 3.54Å; I227-Q249 VanDerWaalsContact O-C 3.22Å; I227-Q249 WeakPolarHBondContact O-CA 3.49Å; I227-Q249 PolarHBondContact O-N 2.97Å; I227-L250 HydrophobicContact CG2-CD2 3.94Å; I227-L250 PolarHBondContact O-N 3.06Å
228	K	96.5	Very high	97.1	Very high	116 Å²	116	38.7 Å²	38.7	50%	0.504	20%	0.197	S	C	.	.			trans	-92.5	-28.1	-179.2	-70.1	-172.2	164.7	-128.8	0	114.8	K226 Q249 L250	K226-K228 PolarHBondContact O-N 2.94Å; K228-Q249 WeakPolarHBondContact CA-O 3.46Å; K228-Q249 HydrophobicContact CG-CB 4.21Å; K228-L250 WeakPolarHBondContact O-CA 3.35Å
229	Q	96.6	Very high	97	Very high	140 Å²	140	40.6 Å²	40.6	65%	0.654	21%	0.205	S	C	*	.			trans	-152.7	152.6	-178.8	64.6	-173.7	20.2	0	0	110.2	I227	I227-Q229 VanDerWaalsContact CG2-O 3.28Å; I227-Q229 WeakPolarHBondContact CG2-O 3.48Å
230	L	97.7	Very high	97	Very high	11 Å²	11	39.9 Å²	39.9	6%	0.058	20%	0.201	C	C	.	.			trans	-101.7	142.8	167.9	-61.3	177.3	0	0	0	109.6	V207 I222 I227 V245 L250 L253 P254	V207-L230 HydrophobicContact CG2-CD2 4.14Å; I222-L230 HydrophobicContact CD1-CD2 3.81Å; I227-L230 HydrophobicContact CG2-CD2 4.2Å; L230-V245 HydrophobicContact CD1-CG1 4.32Å; L230-L250 HydrophobicContact CD1-CD1 4.45Å; L230-L250 HydrophobicContact CG-CD1 4.47Å; L230-L250 HydrophobicContact CG-CD2 4.13Å; L230-L253 HydrophobicContact CD1-CD1 4.04Å; L230-P254 HydrophobicContact CB-CG 4.04Å
231	P	97.4	Very high	97	Very high	20 Å²	20	43.2 Å²	43.2	13%	0.13	22%	0.218	C	C	.	.			trans	-67.9	152.5	175	30.1	-35.8	0	0	0	111	V207 I211 E233 I234	V207-P231 HydrophobicContact CB-CG 4.34Å; V207-P231 HydrophobicContact CG1-CG 4.04Å; I211-P231 HydrophobicContact CG2-CG 3.9Å; P231-E233 WeakPolarHBondContact CB-OE2 3.5Å; P231-E233 PolarHBondContact O-N 2.94Å; P231-I234 WeakPolarHBondContact O-CB 3.36Å; P231-I234 WeakPolarHBondContact O-CG2 3.49Å; P231-I234 PolarHBondContact O-N 2.94Å; P231-I234 VanDerWaalsContact O-N 3.13Å
232	A	97.6	Very high	97	Very high	41 Å²	41	44 Å²	44	34%	0.339	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-60.3	-32.9	176.2	0	0	0	0	0	111.8	I234 G235 E256	A232-I234 PolarHBondContact O-N 3.04Å; A232-G235 PolarHBondContact O-N 2.91Å; A232-E256 HydrophobicContact CB-CG 3.97Å; A232-E256 WeakPolarHBondContact O-CB 3.49Å
233	E	98.1	Very high	97.1	Very high	53 Å²	53	44 Å²	44	25%	0.248	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.2	-12	176.2	-66.9	88.3	162	0	0	114.1	K209 I211 K212 P231 G235 E236	K209-E233 HydrophobicContact CB-CB 4.4Å; K209-E233 HydrophobicContact CB-CG 3.89Å; K209-E233 VanDerWaalsContact CB-OE1 3.29Å; K209-E233 WeakPolarHBondContact CB-OE1 3.47Å; K209-E233 VanDerWaalsContact O-CB 3.24Å; K209-E233 WeakPolarHBondContact O-CB 3.39Å; I211-E233 HydrophobicContact CG2-CB 4.4Å; K212-E233 HydrophobicContact CB-CB 4.23Å; K212-E233 HydrophobicContact CD-CB 4.24Å; K212-E233 HydrophobicContact CD-CG 4.05Å; P231-E233 WeakPolarHBondContact CB-OE2 3.5Å; P231-E233 PolarHBondContact O-N 2.94Å; E233-G235 PolarHBondContact O-N 3.08Å; E233-E236 WeakPolarHBondContact O-CB 3.25Å; E233-E236 PolarHBondContact O-N 2.98Å; E233-E236 VanDerWaalsContact O-N 3.12Å
234	I	97.2	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58.7	-28.8	168.2	-158.9	71.9	0	0	0	111.9	I211 L220 P231 A232 E236 L237 P254 I257 C260	I211-I234 HydrophobicContact CG1-CD1 4.03Å; I211-I234 HydrophobicContact CG2-CD1 4.33Å; L220-I234 HydrophobicContact CD2-CD1 4.02Å; P231-I234 WeakPolarHBondContact O-CB 3.36Å; P231-I234 WeakPolarHBondContact O-CG2 3.49Å; P231-I234 PolarHBondContact O-N 2.94Å; P231-I234 VanDerWaalsContact O-N 3.13Å; A232-I234 PolarHBondContact O-N 3.04Å; I234-E236 PolarHBondContact O-N 2.89Å; I234-L237 HydrophobicContact CD1-CD1 3.65Å; I234-L237 HydrophobicContact CG1-CD1 4.37Å; I234-L237 WeakPolarHBondContact O-CB 3.47Å; I234-L237 WeakPolarHBondContact O-CG 3.36Å; I234-L237 PolarHBondContact O-N 3.2Å; I234-P254 HydrophobicContact CG2-CG 3.76Å; I234-I257 HydrophobicContact CG2-CD1 4.3Å; I234-C260 PolarHBondContact O-SG 3.46Å
235	G	96.2	Very high	97.1	Very high	4 Å²	4	40.2 Å²	40.2	4%	0.041	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-70.2	-9.2	176.9	0	0	0	0	0	115	A232 E233 L237 E256 N259	A232-G235 PolarHBondContact O-N 2.91Å; E233-G235 PolarHBondContact O-N 3.08Å; G235-L237 VanDerWaalsContact C-N 3.29Å; G235-E256 WeakPolarHBondContact CA-O 3.49Å; G235-N259 VanDerWaalsContact O-CB 3.29Å; G235-N259 WeakPolarHBondContact O-CB 3.42Å
236	E	96.9	Very high	97.1	Very high	99 Å²	99	39.6 Å²	39.6	46%	0.463	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-82.7	-7.7	172.8	-60.3	-172.3	-134.5	0	0	112	K212 E233 I234 C238	K212-E236 HydrophobicContact CB-CB 3.79Å; K212-E236 HydrophobicContact CB-CG 4.25Å; K212-E236 VanDerWaalsContact CD-CD 3.43Å; K212-E236 WeakPolarHBondContact CD-OE1 3.21Å; K212-E236 WeakPolarHBondContact CD-OE2 3.07Å; K212-E236 IonicContact NZ-OE1 3.65Å; K212-E236 PolarHBondContact NZ-OE1 3.27Å; E233-E236 WeakPolarHBondContact O-CB 3.25Å; E233-E236 PolarHBondContact O-N 2.98Å; E233-E236 VanDerWaalsContact O-N 3.12Å; I234-E236 PolarHBondContact O-N 2.89Å; E236-C238 PolarHBondContact O-N 3.33Å
237	L	96.8	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.			trans	-80.1	59.2	177.2	-59.1	-174.6	0	0	0	112.4	I211 L214 L217 I234 G235 N239 L240	I211-L237 HydrophobicContact CG1-CD1 4.18Å; L214-L237 HydrophobicContact CB-CD2 4.34Å; L214-L237 WeakPolarHBondContact O-CD2 3.43Å; L217-L237 HydrophobicContact CD2-CD1 4.17Å; I234-L237 HydrophobicContact CD1-CD1 3.65Å; I234-L237 HydrophobicContact CG1-CD1 4.37Å; I234-L237 WeakPolarHBondContact O-CB 3.47Å; I234-L237 WeakPolarHBondContact O-CG 3.36Å; I234-L237 PolarHBondContact O-N 3.2Å; G235-L237 VanDerWaalsContact C-N 3.29Å; L237-N239 PolarHBondContact O-N 3.37Å; L237-L240 HydrophobicContact CB-CB 4.12Å; L237-L240 HydrophobicContact CB-CD2 4.4Å; L237-L240 HydrophobicContact CD1-CD2 4.25Å; L237-L240 WeakPolarHBondContact O-CB 3.24Å; L237-L240 PolarHBondContact O-N 2.91Å
238	C	94.3	Very high	97.2	Very high	65 Å²	65	36.9 Å²	36.9	44%	0.439	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.9	-174	-58.7	0	0	0	0	115.2	E236 Q262	E236-C238 PolarHBondContact O-N 3.33Å; C238-Q262 PolarHBondContact O-NE2 3Å
239	N	96.4	Very high	97.2	Very high	75 Å²	75	34.8 Å²	34.8	40%	0.401	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	1	176.4	-69	-53.3	0	0	0	114.3	S215 L217 S218 L237 I241 Q262	S215-N239 PolarHBondContact O-ND2 3.07Å; L217-N239 CarbonylContact O-C 3.51Å; S218-N239 WeakPolarHBondContact CA-O 3.42Å; L237-N239 PolarHBondContact O-N 3.37Å; N239-I241 PolarHBondContact O-N 2.74Å; N239-Q262 PolarHBondContact OD1-NE2 3.2Å
240	L	97.4	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.			trans	-70.4	118.5	-176.2	-164.1	64.8	0	0	0	110.5	L217 L220 L237 T242 L243 Q262 I263	L217-L240 HydrophobicContact CG-CD1 4.44Å; L217-L240 WeakPolarHBondContact O-CA 3.47Å; L217-L240 PolarHBondContact O-N 3.03Å; L220-L240 HydrophobicContact CB-CD1 3.99Å; L237-L240 HydrophobicContact CB-CB 4.12Å; L237-L240 HydrophobicContact CB-CD2 4.4Å; L237-L240 HydrophobicContact CD1-CD2 4.25Å; L237-L240 WeakPolarHBondContact O-CB 3.24Å; L237-L240 PolarHBondContact O-N 2.91Å; L240-T242 WeakPolarHBondContact CD1-O 3.17Å; L240-L243 HydrophobicContact CD2-CB 3.93Å; L240-L243 HydrophobicContact CD2-CD1 4.29Å; L240-L243 HydrophobicContact CD2-CD2 4.16Å; L240-L243 HydrophobicContact CD2-CG 4.34Å; L240-L243 HydrophobicContact CG-CB 4.46Å; L240-Q262 CarbonylContact O-C 3.56Å; L240-Q262 VanDerWaalsContact O-C 3.24Å; L240-I263 HydrophobicContact CB-CG1 4.32Å; L240-I263 HydrophobicContact CD2-CD1 4.25Å; L240-I263 HydrophobicContact CG-CG1 4.38Å; L240-I263 WeakPolarHBondContact O-CA 3.41Å; L240-I263 WeakPolarHBondContact O-CG1 3.38Å; L240-I263 PolarHBondContact O-N 3.21Å; L240-I263 VanDerWaalsContact O-N 3.08Å
241	I	97.4	Very high	97.3	Very high	71 Å²	71	31.6 Å²	31.6	36%	0.364	17%	0.169	S	C	.	.			trans	-97.8	-37.4	177.9	-61	173.3	0	0	0	109.9	S218 N239 I263 T264 N265	S218-I241 PolarHBondContact O-N 3.19Å; N239-I241 PolarHBondContact O-N 2.74Å; I241-I263 WeakPolarHBondContact O-CA 3.11Å; I241-T264 HydrophobicContact CG2-CG2 4.27Å; I241-T264 WeakPolarHBondContact CG2-OG1 3.47Å; I241-T264 PolarHBondContact O-N 3.23Å; I241-T264 PolarHBondContact O-OG1 3.43Å; I241-N265 PolarHBondContact O-N 2.95Å
242	T	97.6	Very high	97.3	Very high	16 Å²	16	35 Å²	35	10%	0.098	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.2	-179	-60.7	0	0	0	0	112	V68 S218 M219 L220 L240 N265	V68-T242 HydrophobicContact CB-CG2 4.4Å; V68-T242 HydrophobicContact CG1-CG2 3.85Å; V68-T242 HydrophobicContact CG2-CG2 3.64Å; S218-T242 PolarHBondContact O-N 2.94Å; M219-T242 HydrophobicContact CE-CG2 4.23Å; M219-T242 VanDerWaalsContact SD-CB 3.52Å; M219-T242 HydrophobicContact SD-CG2 3.48Å; M219-T242 WeakPolarHBondContact SD-CG2 3.14Å; L220-T242 PolarHBondContact N-O 3.14Å; L240-T242 WeakPolarHBondContact CD1-O 3.17Å; T242-N265 WeakPolarHBondContact CA-O 3.41Å; T242-N265 HydrophobicContact CG2-CB 3.87Å
243	L	97.9	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	110	175.4	179	55.2	0	0	0	109.5	L220 L240 V245 I257 N265 L266 D267	L220-L243 HydrophobicContact CB-CD1 4.04Å; L220-L243 HydrophobicContact CD2-CD1 3.92Å; L220-L243 HydrophobicContact CG-CD1 4.05Å; L240-L243 HydrophobicContact CD2-CB 3.93Å; L240-L243 HydrophobicContact CD2-CD1 4.29Å; L240-L243 HydrophobicContact CD2-CD2 4.16Å; L240-L243 HydrophobicContact CD2-CG 4.34Å; L240-L243 HydrophobicContact CG-CB 4.46Å; L243-V245 HydrophobicContact CD1-CG1 3.48Å; L243-V245 VanDerWaalsContact CD1-CG1 3.48Å; L243-V245 HydrophobicContact CD2-CG1 4.42Å; L243-V245 HydrophobicContact CG-CG1 3.77Å; L243-I257 HydrophobicContact CD2-CD1 3.68Å; L243-N265 PolarHBondContact N-O 3.36Å; L243-L266 HydrophobicContact CB-CD1 3.91Å; L243-L266 HydrophobicContact CD2-CD1 3.82Å; L243-L266 HydrophobicContact CG-CD1 3.92Å; L243-D267 PolarHBondContact O-N 3.43Å
244	D	97.7	Very high	97.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	101	178.7	173.6	23.7	0	0	0	109.9	N70 L220 S221 I222 R223 D267	N70-D244 PolarHBondContact ND2-OD2 2.97Å; L220-D244 PolarHBondContact O-N 3.41Å; S221-D244 CarbonylContact C-O 3.47Å; S221-D244 WeakPolarHBondContact CA-O 3.46Å; S221-D244 PolarHBondContact OG-OD2 3.25Å; I222-D244 PolarHBondContact N-O 3.46Å; R223-D244 WeakPolarHBondContact CB-OD1 3.34Å; R223-D244 WeakPolarHBondContact CB-OD2 3.13Å; R223-D244 WeakPolarHBondContact CD-OD1 3.48Å; R223-D244 WeakPolarHBondContact CD-OD2 3.35Å; R223-D244 PolarHBondContact N-O 3.34Å; R223-D244 IonicContact NH1-OD1 2.73Å; R223-D244 PolarHBondContact NH1-OD1 3.22Å; D244-D267 HydrophobicContact CB-CB 4.36Å
245	V	97.3	Very high	97.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.192	C	C	.	.			trans	-118.5	15.8	-179.9	-48.7	0	0	0	0	112.4	I222 L230 L243 N248 L250 D267 L268 N271	I222-V245 HydrophobicContact CD1-CB 4.27Å; I222-V245 HydrophobicContact CD1-CG1 3.58Å; I222-V245 HydrophobicContact CG1-CB 4.16Å; I222-V245 HydrophobicContact CG1-CG1 3.59Å; L230-V245 HydrophobicContact CD1-CG1 4.32Å; L243-V245 HydrophobicContact CD1-CG1 3.48Å; L243-V245 VanDerWaalsContact CD1-CG1 3.48Å; L243-V245 HydrophobicContact CD2-CG1 4.42Å; L243-V245 HydrophobicContact CG-CG1 3.77Å; V245-N248 WeakPolarHBondContact O-CB 3.13Å; V245-N248 PolarHBondContact O-ND2 2.93Å; V245-L250 HydrophobicContact CB-CD1 4.09Å; V245-L250 HydrophobicContact CG2-CD1 3.5Å; V245-D267 CarbonylContact C-O 3.12Å; V245-D267 VanDerWaalsContact CG2-O 3.29Å; V245-D267 WeakPolarHBondContact CG2-O 3.47Å; V245-D267 PolarHBondContact N-O 2.92Å; V245-L268 HydrophobicContact CG2-CD2 3.39Å; V245-L268 HydrophobicContact CG2-CG 4.24Å; V245-N271 PolarHBondContact O-ND2 3.48Å; V245-N271 VanDerWaalsContact O-ND2 3.15Å
246	A	97.8	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.			trans	-61.9	158.5	-178.8	0	0	0	0	0	113.2	R223 E224 N248 D267 Q269	R223-A246 CarbonylContact C-O 3.11Å; R223-A246 WeakPolarHBondContact CA-O 3.5Å; R223-A246 HydrophobicContact CG-CB 4.34Å; R223-A246 WeakPolarHBondContact CG-O 3.33Å; E224-A246 PolarHBondContact N-O 3.16Å; A246-N248 PolarHBondContact O-ND2 3.42Å; A246-D267 HydrophobicContact CB-CB 4.28Å; A246-D267 PolarHBondContact N-O 3.31Å; A246-Q269 CarbonylContact C-O 3.37Å; A246-Q269 WeakPolarHBondContact CA-O 3.37Å; A246-Q269 HydrophobicContact CB-CB 4.17Å; A246-Q269 VanDerWaalsContact CB-O 3.25Å; A246-Q269 WeakPolarHBondContact CB-O 3.45Å
247	H	97.9	Very high	97.4	Very high	48 Å²	48	36 Å²	36	22%	0.222	18%	0.18	C	C	.	.	S	Bend	trans	54	58.9	-177.2	-55.7	-104.2	0	0	0	111.6	R223 E224 N225 Q269 H270	R223-H247 PolarHBondContact NH2-CD2 3.12Å; R223-H247 PolarHBondContact NH2-NE2 3.15Å; E224-H247 WeakPolarHBondContact CA-O 3.37Å; E224-H247 HydrophobicContact CB-CB 4.43Å; E224-H247 HydrophobicContact CG-CB 3.84Å; E224-H247 PolarHBondContact N-O 3.19Å; E224-H247 VanDerWaalsContact N-O 3.15Å; E224-H247 IonicContact OE1-ND1 2.65Å; N225-H247 PolarHBondContact N-O 2.62Å; N225-H247 VanDerWaalsContact N-O 3.12Å; H247-Q269 PolarHBondContact N-O 3.36Å; H247-H270 WeakPolarHBondContact CA-O 3.1Å; H247-H270 HydrophobicContact CB-CB 4.43Å; H247-H270 AromaticContact CE1-CD2 3.36Å; H247-H270 PolarHBondContact CE1-CD2 2.87Å; H247-H270 AromaticContact CE1-CG 3.51Å; H247-H270 PolarHBondContact N-O 3.36Å; H247-H270 AromaticContact ND1-CG 3.79Å; H247-H270 AromaticContact NE2-CD2 3.36Å; H247-H270 PolarHBondContact NE2-CD2 3.27Å; H247-H270 AromaticContact NE2-CG 3.86Å
248	N	98.3	Very high	97.4	Very high	12 Å²	12	36 Å²	36	6%	0.064	18%	0.181	C	C	.	.	S	Bend	trans	-132.5	-162	173.5	-87.2	-73.4	0	0	0	108.6	I222 N225 K226 I227 V245 A246 L250 H270 N271	I222-N248 PolarHBondContact O-ND2 2.7Å; N225-N248 WeakPolarHBondContact CA-OD1 3.34Å; N225-N248 WeakPolarHBondContact CB-OD1 3.29Å; K226-N248 PolarHBondContact N-OD1 3.22Å; I227-N248 HydrophobicContact CB-CB 4.39Å; I227-N248 WeakPolarHBondContact CB-OD1 3.49Å; I227-N248 WeakPolarHBondContact CG1-OD1 3.38Å; I227-N248 PolarHBondContact N-OD1 3.15Å; V245-N248 WeakPolarHBondContact O-CB 3.13Å; V245-N248 PolarHBondContact O-ND2 2.93Å; A246-N248 PolarHBondContact O-ND2 3.42Å; N248-L250 HydrophobicContact CB-CG 4.36Å; N248-H270 PolarHBondContact N-O 2.97Å; N248-N271 VanDerWaalsContact CA-OD1 3.29Å; N248-N271 WeakPolarHBondContact CA-OD1 3.29Å; N248-N271 WeakPolarHBondContact CB-OD1 3.28Å; N248-N271 PolarHBondContact N-OD1 3.39Å; N248-N271 PolarHBondContact O-OD1 3.14Å
249	Q	97.9	Very high	97.5	Very high	73 Å²	73	37.1 Å²	37.1	34%	0.341	18%	0.182	S	C	.	.			trans	-123.4	32.5	-178.2	-58.8	-172.1	-43.5	0	0	110.8	I227 K228 E251 N271	I227-Q249 CarbonylContact O-C 3.54Å; I227-Q249 VanDerWaalsContact O-C 3.22Å; I227-Q249 WeakPolarHBondContact O-CA 3.49Å; I227-Q249 PolarHBondContact O-N 2.97Å; K228-Q249 WeakPolarHBondContact CA-O 3.46Å; K228-Q249 HydrophobicContact CG-CB 4.21Å; Q249-E251 PolarHBondContact O-N 3.15Å; Q249-N271 PolarHBondContact N-OD1 3.2Å
250	L	98.1	Very high	97.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.163	C	C	.	.			trans	-68.2	119.9	-177.5	-61.9	176	0	0	0	110.3	I227 K228 L230 V245 N248 L268 N271 E272 L273	I227-L250 HydrophobicContact CG2-CD2 3.94Å; I227-L250 PolarHBondContact O-N 3.06Å; K228-L250 WeakPolarHBondContact O-CA 3.35Å; L230-L250 HydrophobicContact CD1-CD1 4.45Å; L230-L250 HydrophobicContact CG-CD1 4.47Å; L230-L250 HydrophobicContact CG-CD2 4.13Å; V245-L250 HydrophobicContact CB-CD1 4.09Å; V245-L250 HydrophobicContact CG2-CD1 3.5Å; N248-L250 HydrophobicContact CB-CG 4.36Å; L250-L268 HydrophobicContact CD1-CD2 4.22Å; L250-N271 HydrophobicContact CB-CB 4.19Å; L250-N271 WeakPolarHBondContact CB-OD1 3.4Å; L250-N271 WeakPolarHBondContact CG-OD1 3.27Å; L250-N271 PolarHBondContact N-OD1 3.01Å; L250-E272 CarbonylContact O-C 3.06Å; L250-E272 WeakPolarHBondContact O-CA 3.24Å; L250-E272 PolarHBondContact O-N 3.12Å; L250-L273 HydrophobicContact CB-CD2 3.91Å; L250-L273 HydrophobicContact CB-CG 4.49Å; L250-L273 PolarHBondContact O-N 2.82Å
251	E	97.2	Very high	97.4	Very high	82 Å²	82	36.8 Å²	36.8	38%	0.383	18%	0.183	S	C	.	.	S	Bend	trans	-88.6	-30.6	173.8	-66.6	173.9	-144.6	0	0	111.8	Q249 E272 L273 L274	Q249-E251 PolarHBondContact O-N 3.15Å; E251-E272 HydrophobicContact CG-CB 4.36Å; E251-L273 WeakPolarHBondContact O-CA 3.34Å; E251-L274 PolarHBondContact O-N 3.03Å
252	H	97.4	Very high	97.3	Very high	93 Å²	93	37.7 Å²	37.7	43%	0.431	19%	0.185	S	C	.	.			trans	-143.6	161.9	-179.9	-62.1	-71.4	0	0	0	111.6	D275	H252-D275 IonicContact CE1-OD1 3.69Å; H252-D275 IonicContact CG-OD1 3.98Å; H252-D275 IonicContact ND1-OD1 3.54Å; H252-D275 PolarHBondContact ND1-OD1 2.97Å
253	L	97.5	Very high	97.3	Very high	11 Å²	11	36.9 Å²	36.9	6%	0.058	18%	0.181	C	C	.	.			trans	-115.3	131.6	174	-171.6	72.4	0	0	0	109.4	L230 I257 L268 P277 I280	L230-L253 HydrophobicContact CD1-CD1 4.04Å; L253-I257 HydrophobicContact CD1-CG1 4.5Å; L253-I257 HydrophobicContact CD2-CB 4.37Å; L253-I257 HydrophobicContact CD2-CG1 4.26Å; L253-I257 HydrophobicContact CD2-CG2 3.73Å; L253-I257 HydrophobicContact CG-CB 4.31Å; L253-I257 HydrophobicContact CG-CG1 4.47Å; L253-I257 HydrophobicContact CG-CG2 3.97Å; L253-L268 HydrophobicContact CD1-CD2 3.91Å; L253-L268 HydrophobicContact CD2-CD1 4.08Å; L253-P277 HydrophobicContact CB-CG 4.37Å; L253-P277 HydrophobicContact CD2-CG 4.34Å; L253-I280 HydrophobicContact CD2-CD1 4.21Å
254	P	97.4	Very high	97.2	Very high	21 Å²	21	38.9 Å²	38.9	14%	0.136	19%	0.193	C	C	.	.			trans	-63.7	138.7	179.8	26.6	-34.6	0	0	0	110.8	L230 I234 E256 I257	L230-P254 HydrophobicContact CB-CG 4.04Å; I234-P254 HydrophobicContact CG2-CG 3.76Å; P254-E256 PolarHBondContact O-N 3.35Å; P254-E256 VanDerWaalsContact O-N 3.15Å; P254-I257 WeakPolarHBondContact O-CB 3.3Å; P254-I257 WeakPolarHBondContact O-CG2 3.2Å; P254-I257 PolarHBondContact O-N 2.66Å; P254-I257 VanDerWaalsContact O-N 3.08Å
255	K	97.6	Very high	97.1	Very high	133 Å²	133	39.9 Å²	39.9	58%	0.578	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-60.1	-27.2	-179	65.3	-179.3	-178.5	-177.3	0	112.4	I257 G258 P277 T279	K255-I257 PolarHBondContact O-N 3.08Å; K255-I257 VanDerWaalsContact O-N 3.14Å; K255-G258 PolarHBondContact O-N 2.77Å; K255-P277 HydrophobicContact CB-CB 4.14Å; K255-T279 WeakPolarHBondContact CA-OG1 3.32Å; K255-T279 HydrophobicContact CB-CG2 4.2Å; K255-T279 WeakPolarHBondContact O-CB 3.18Å; K255-T279 PolarHBondContact O-OG1 3.49Å
256	E	98.1	Very high	97.1	Very high	52 Å²	52	39.8 Å²	39.8	24%	0.243	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62.7	-17	178.3	-68.1	71.5	-156.8	0	0	112.8	A232 G235 P254 G258 N259	A232-E256 HydrophobicContact CB-CG 3.97Å; A232-E256 WeakPolarHBondContact O-CB 3.49Å; G235-E256 WeakPolarHBondContact CA-O 3.49Å; P254-E256 PolarHBondContact O-N 3.35Å; P254-E256 VanDerWaalsContact O-N 3.15Å; E256-G258 PolarHBondContact O-N 3.07Å; E256-G258 VanDerWaalsContact O-N 3.11Å; E256-N259 VanDerWaalsContact O-CB 3.26Å; E256-N259 WeakPolarHBondContact O-CB 3.45Å; E256-N259 PolarHBondContact O-N 3.16Å
257	I	97.2	Very high	97.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-54.5	-30.8	173.6	-165	58.6	0	0	0	113	I234 L243 L253 P254 K255 N259 C260 I263 P277	I234-I257 HydrophobicContact CG2-CD1 4.3Å; L243-I257 HydrophobicContact CD2-CD1 3.68Å; L253-I257 HydrophobicContact CD1-CG1 4.5Å; L253-I257 HydrophobicContact CD2-CB 4.37Å; L253-I257 HydrophobicContact CD2-CG1 4.26Å; L253-I257 HydrophobicContact CD2-CG2 3.73Å; L253-I257 HydrophobicContact CG-CB 4.31Å; L253-I257 HydrophobicContact CG-CG1 4.47Å; L253-I257 HydrophobicContact CG-CG2 3.97Å; P254-I257 WeakPolarHBondContact O-CB 3.3Å; P254-I257 WeakPolarHBondContact O-CG2 3.2Å; P254-I257 PolarHBondContact O-N 2.66Å; P254-I257 VanDerWaalsContact O-N 3.08Å; K255-I257 PolarHBondContact O-N 3.08Å; K255-I257 VanDerWaalsContact O-N 3.14Å; I257-N259 PolarHBondContact O-N 2.97Å; I257-N259 VanDerWaalsContact O-N 3.14Å; I257-C260 WeakPolarHBondContact O-CB 3.29Å; I257-C260 PolarHBondContact O-N 2.89Å; I257-C260 VanDerWaalsContact O-N 3.08Å; I257-I263 HydrophobicContact CD1-CD1 4Å; I257-P277 HydrophobicContact CG2-CG 4.19Å
258	G	96.4	Very high	97	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-68.3	-6.4	178.1	0	0	0	0	0	114.5	K255 E256 T279 N282	K255-G258 PolarHBondContact O-N 2.77Å; E256-G258 PolarHBondContact O-N 3.07Å; E256-G258 VanDerWaalsContact O-N 3.11Å; G258-T279 WeakPolarHBondContact CA-O 3.3Å; G258-N282 VanDerWaalsContact O-CB 3.23Å; G258-N282 WeakPolarHBondContact O-CB 3.24Å
259	N	97.1	Very high	97	Very high	88 Å²	88	37.3 Å²	37.3	47%	0.471	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-80.8	-21.7	171.7	-61.9	-13	0	0	0	112.2	G235 E256 I257 T261	G235-N259 VanDerWaalsContact O-CB 3.29Å; G235-N259 WeakPolarHBondContact O-CB 3.42Å; E256-N259 VanDerWaalsContact O-CB 3.26Å; E256-N259 WeakPolarHBondContact O-CB 3.45Å; E256-N259 PolarHBondContact O-N 3.16Å; I257-N259 PolarHBondContact O-N 2.97Å; I257-N259 VanDerWaalsContact O-N 3.14Å; N259-T261 PolarHBondContact O-N 3.12Å
260	C	96.4	Very high	97	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.			trans	-79.1	58.5	179.2	-61.3	0	0	0	0	111.5	I234 I257 Q262 I263 L283	I234-C260 PolarHBondContact O-SG 3.46Å; I257-C260 WeakPolarHBondContact O-CB 3.29Å; I257-C260 PolarHBondContact O-N 2.89Å; I257-C260 VanDerWaalsContact O-N 3.08Å; C260-Q262 PolarHBondContact O-N 3.02Å; C260-I263 HydrophobicContact CB-CD1 3.45Å; C260-I263 VanDerWaalsContact CB-CD1 3.45Å; C260-I263 HydrophobicContact CB-CG1 3.82Å; C260-I263 WeakPolarHBondContact O-CB 3.26Å; C260-I263 VanDerWaalsContact O-CG1 3.29Å; C260-I263 WeakPolarHBondContact O-CG1 3.46Å; C260-I263 PolarHBondContact O-N 3.46Å; C260-L283 VanDerWaalsContact O-CD2 3.26Å; C260-L283 WeakPolarHBondContact O-CD2 3.47Å
261	T	95.3	Very high	97	Very high	68 Å²	68	37.6 Å²	37.6	42%	0.417	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.4	-169.8	54	0	0	0	0	115.1	N259 I263 S285	N259-T261 PolarHBondContact O-N 3.12Å; T261-I263 VanDerWaalsContact C-N 3.32Å; T261-S285 PolarHBondContact O-OG 3.46Å
262	Q	96	Very high	97.1	Very high	89 Å²	89	36.1 Å²	36.1	42%	0.416	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6	173.5	-67	-168.4	79.3	0	0	114.2	C238 N239 L240 C260 T264	C238-Q262 PolarHBondContact O-NE2 3Å; N239-Q262 PolarHBondContact OD1-NE2 3.2Å; L240-Q262 CarbonylContact O-C 3.56Å; L240-Q262 VanDerWaalsContact O-C 3.24Å; C260-Q262 PolarHBondContact O-N 3.02Å; Q262-T264 PolarHBondContact O-N 3.09Å; Q262-T264 VanDerWaalsContact O-N 3.12Å
263	I	96.6	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.			trans	-63.5	116.5	179.2	-68.1	174.1	0	0	0	110	L240 I241 I257 C260 T261 L266 L283 S285 L286	L240-I263 HydrophobicContact CB-CG1 4.32Å; L240-I263 HydrophobicContact CD2-CD1 4.25Å; L240-I263 HydrophobicContact CG-CG1 4.38Å; L240-I263 WeakPolarHBondContact O-CA 3.41Å; L240-I263 WeakPolarHBondContact O-CG1 3.38Å; L240-I263 PolarHBondContact O-N 3.21Å; L240-I263 VanDerWaalsContact O-N 3.08Å; I241-I263 WeakPolarHBondContact O-CA 3.11Å; I257-I263 HydrophobicContact CD1-CD1 4Å; C260-I263 HydrophobicContact CB-CD1 3.45Å; C260-I263 VanDerWaalsContact CB-CD1 3.45Å; C260-I263 HydrophobicContact CB-CG1 3.82Å; C260-I263 WeakPolarHBondContact O-CB 3.26Å; C260-I263 VanDerWaalsContact O-CG1 3.29Å; C260-I263 WeakPolarHBondContact O-CG1 3.46Å; C260-I263 PolarHBondContact O-N 3.46Å; T261-I263 VanDerWaalsContact C-N 3.32Å; I263-L266 HydrophobicContact CG2-CB 4.05Å; I263-L283 HydrophobicContact CB-CD1 4.49Å; I263-L283 HydrophobicContact CB-CD2 4.49Å; I263-S285 CarbonylContact O-C 3.32Å; I263-L286 HydrophobicContact CG2-CD1 3.95Å; I263-L286 WeakPolarHBondContact O-CA 3.14Å; I263-L286 PolarHBondContact O-N 3.42Å
264	T	96	Very high	97.1	Very high	41 Å²	41	34.6 Å²	34.6	25%	0.252	18%	0.175	S	C	.	.			trans	-95.7	-27.7	169.1	60.4	0	0	0	0	111.7	I241 Q262 S287 R288	I241-T264 HydrophobicContact CG2-CG2 4.27Å; I241-T264 WeakPolarHBondContact CG2-OG1 3.47Å; I241-T264 PolarHBondContact O-N 3.23Å; I241-T264 PolarHBondContact O-OG1 3.43Å; Q262-T264 PolarHBondContact O-N 3.09Å; Q262-T264 VanDerWaalsContact O-N 3.12Å; T264-S287 PolarHBondContact O-N 2.91Å; T264-S287 PolarHBondContact O-OG 3.01Å; T264-S287 VanDerWaalsContact O-OG 3.07Å; T264-R288 PolarHBondContact O-N 2.73Å
265	N	96	Very high	97.1	Very high	23 Å²	23	36.9 Å²	36.9	12%	0.123	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	114.1	-172.6	-67.2	69.6	0	0	0	111	I241 T242 L243	I241-N265 PolarHBondContact O-N 2.95Å; T242-N265 WeakPolarHBondContact CA-O 3.41Å; T242-N265 HydrophobicContact CG2-CB 3.87Å; L243-N265 PolarHBondContact N-O 3.36Å
266	L	97.2	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	111.2	176.7	-178.1	55.3	0	0	0	110	L243 I263 L268 I280 L283 L286 R288 L289 G290	L243-L266 HydrophobicContact CB-CD1 3.91Å; L243-L266 HydrophobicContact CD2-CD1 3.82Å; L243-L266 HydrophobicContact CG-CD1 3.92Å; I263-L266 HydrophobicContact CG2-CB 4.05Å; L266-L268 HydrophobicContact CD1-CD1 4.28Å; L266-L268 HydrophobicContact CD1-CG 4.15Å; L266-L268 HydrophobicContact CD2-CD1 3.82Å; L266-L268 HydrophobicContact CG-CD1 3.79Å; L266-L268 HydrophobicContact CG-CG 4.03Å; L266-I280 HydrophobicContact CD2-CD1 3.76Å; L266-L283 HydrophobicContact CD2-CD1 4.16Å; L266-L286 HydrophobicContact CB-CD1 3.85Å; L266-R288 PolarHBondContact N-O 3.16Å; L266-L289 HydrophobicContact CB-CD1 4.11Å; L266-L289 HydrophobicContact CD2-CD1 3.97Å; L266-L289 HydrophobicContact CG-CD1 4.09Å; L266-L289 WeakPolarHBondContact O-CA 3.33Å; L266-G290 PolarHBondContact O-N 2.9Å
267	D	97	Very high	97.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.6	175.8	-155.9	-8.4	0	0	0	111.3	F66 R223 L243 D244 V245 A246 Q269	F66-D267 HydrophobicContact CD1-CB 3.87Å; F66-D267 WeakPolarHBondContact CD1-OD2 3.36Å; F66-D267 HydrophobicContact CE1-CB 3.44Å; F66-D267 VanDerWaalsContact CE1-CB 3.44Å; F66-D267 HydrophobicContact CE2-CB 4.43Å; F66-D267 WeakPolarHBondContact CG-OD2 3.44Å; F66-D267 HydrophobicContact CZ-CB 3.74Å; R223-D267 IonicContact CZ-OD2 2.69Å; R223-D267 IonicContact NH1-OD2 3.6Å; R223-D267 PolarHBondContact NH1-OD2 3.49Å; L243-D267 PolarHBondContact O-N 3.43Å; D244-D267 HydrophobicContact CB-CB 4.36Å; V245-D267 CarbonylContact C-O 3.12Å; V245-D267 VanDerWaalsContact CG2-O 3.29Å; V245-D267 WeakPolarHBondContact CG2-O 3.47Å; V245-D267 PolarHBondContact N-O 2.92Å; A246-D267 HydrophobicContact CB-CB 4.28Å; A246-D267 PolarHBondContact N-O 3.31Å; D267-Q269 VanDerWaalsContact CG-NE2 3.32Å; D267-Q269 WeakPolarHBondContact OD1-CB 3.49Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.29Å; D267-Q269 PolarHBondContact OD1-N 2.75Å; D267-Q269 PolarHBondContact OD1-NE2 2.88Å; D267-Q269 PolarHBondContact OD2-NE2 3.32Å
268	L	97.4	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.			trans	-116.3	10	178.3	-69.5	160.2	0	0	0	111.8	V245 L250 L253 L266 N271 L273 L276 L289 G290 L291 N294	V245-L268 HydrophobicContact CG2-CD2 3.39Å; V245-L268 HydrophobicContact CG2-CG 4.24Å; L250-L268 HydrophobicContact CD1-CD2 4.22Å; L253-L268 HydrophobicContact CD1-CD2 3.91Å; L253-L268 HydrophobicContact CD2-CD1 4.08Å; L266-L268 HydrophobicContact CD1-CD1 4.28Å; L266-L268 HydrophobicContact CD1-CG 4.15Å; L266-L268 HydrophobicContact CD2-CD1 3.82Å; L266-L268 HydrophobicContact CG-CD1 3.79Å; L266-L268 HydrophobicContact CG-CG 4.03Å; L268-N271 PolarHBondContact O-ND2 2.88Å; L268-L273 HydrophobicContact CB-CD1 3.83Å; L268-L273 HydrophobicContact CD1-CD1 4.26Å; L268-L273 HydrophobicContact CD2-CD1 4.07Å; L268-L273 HydrophobicContact CG-CD1 4.28Å; L268-L276 HydrophobicContact CD1-CD2 4.25Å; L268-L289 HydrophobicContact CD1-CD1 4.32Å; L268-G290 CarbonylContact C-O 3.45Å; L268-G290 WeakPolarHBondContact CA-O 3.07Å; L268-G290 WeakPolarHBondContact CB-O 3.39Å; L268-G290 PolarHBondContact N-O 3.22Å; L268-L291 HydrophobicContact CB-CD2 4.1Å; L268-L291 HydrophobicContact CD1-CD2 3.93Å; L268-N294 PolarHBondContact O-ND2 3.17Å
269	Q	97.4	Very high	97.1	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.033	20%	0.195	C	C	.	.			trans	-63.6	153.3	-174.2	-62.5	165.7	49.9	0	0	113.1	F66 A246 H247 D267 N271 G290 R292	F66-Q269 VanDerWaalsContact CG-NE2 3.32Å; A246-Q269 CarbonylContact C-O 3.37Å; A246-Q269 WeakPolarHBondContact CA-O 3.37Å; A246-Q269 HydrophobicContact CB-CB 4.17Å; A246-Q269 VanDerWaalsContact CB-O 3.25Å; A246-Q269 WeakPolarHBondContact CB-O 3.45Å; H247-Q269 PolarHBondContact N-O 3.36Å; D267-Q269 VanDerWaalsContact CG-NE2 3.32Å; D267-Q269 WeakPolarHBondContact OD1-CB 3.49Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.29Å; D267-Q269 PolarHBondContact OD1-N 2.75Å; D267-Q269 PolarHBondContact OD1-NE2 2.88Å; D267-Q269 PolarHBondContact OD2-NE2 3.32Å; Q269-N271 PolarHBondContact O-ND2 3.42Å; Q269-G290 PolarHBondContact N-O 3Å; Q269-R292 VanDerWaalsContact CA-O 3.27Å; Q269-R292 WeakPolarHBondContact CA-O 3.37Å; Q269-R292 HydrophobicContact CB-CG 4.11Å; Q269-R292 HydrophobicContact CG-CG 3.6Å
270	H	97.9	Very high	97.1	Very high	69 Å²	69	32.5 Å²	32.5	32%	0.319	17%	0.173	S	C	.	.	S	Bend	trans	54	56.5	178.6	-60.1	-88.2	0	0	0	111.4	H247 N248 R292 Y293	H247-H270 WeakPolarHBondContact CA-O 3.1Å; H247-H270 HydrophobicContact CB-CB 4.43Å; H247-H270 AromaticContact CE1-CD2 3.36Å; H247-H270 PolarHBondContact CE1-CD2 2.87Å; H247-H270 AromaticContact CE1-CG 3.51Å; H247-H270 PolarHBondContact N-O 3.36Å; H247-H270 AromaticContact ND1-CG 3.79Å; H247-H270 AromaticContact NE2-CD2 3.36Å; H247-H270 PolarHBondContact NE2-CD2 3.27Å; H247-H270 AromaticContact NE2-CG 3.86Å; N248-H270 PolarHBondContact N-O 2.97Å; H270-R292 PolarHBondContact N-O 3.37Å; H270-R292 PolarHBondContact NE2-NE 3.3Å; H270-R292 PolarHBondContact NE2-NH2 3.29Å; H270-Y293 WeakPolarHBondContact CA-O 3.2Å; H270-Y293 AromaticContact CE1-CD1 3.71Å; H270-Y293 AromaticContact CE1-CD2 2.98Å; H270-Y293 WeakPolarHBondContact CE1-CD2 3.31Å; H270-Y293 AromaticContact CE1-CE1 3.89Å; H270-Y293 AromaticContact CE1-CE2 3.14Å; H270-Y293 WeakPolarHBondContact CE1-CE2 3.42Å; H270-Y293 AromaticContact CE1-CG 3.28Å; H270-Y293 AromaticContact CE1-CZ 3.62Å; H270-Y293 PolarHBondContact N-O 2.99Å; H270-Y293 VanDerWaalsContact N-O 3.16Å; H270-Y293 AromaticContact ND1-CD2 3.78Å; H270-Y293 AromaticContact ND1-CG 3.67Å; H270-Y293 AromaticContact NE2-CD2 3.42Å; H270-Y293 WeakPolarHBondContact NE2-CD2 3.24Å; H270-Y293 AromaticContact NE2-CE2 3.63Å
271	N	98.5	Very high	97	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.059	17%	0.174	C	C	.	.	S	Bend	trans	-127.3	-169.5	172.5	-85.8	-75.8	0	0	0	108.7	V245 N248 Q249 L250 L268 Q269 L273 Y293 N294	V245-N271 PolarHBondContact O-ND2 3.48Å; V245-N271 VanDerWaalsContact O-ND2 3.15Å; N248-N271 VanDerWaalsContact CA-OD1 3.29Å; N248-N271 WeakPolarHBondContact CA-OD1 3.29Å; N248-N271 WeakPolarHBondContact CB-OD1 3.28Å; N248-N271 PolarHBondContact N-OD1 3.39Å; N248-N271 PolarHBondContact O-OD1 3.14Å; Q249-N271 PolarHBondContact N-OD1 3.2Å; L250-N271 HydrophobicContact CB-CB 4.19Å; L250-N271 WeakPolarHBondContact CB-OD1 3.4Å; L250-N271 WeakPolarHBondContact CG-OD1 3.27Å; L250-N271 PolarHBondContact N-OD1 3.01Å; L268-N271 PolarHBondContact O-ND2 2.88Å; Q269-N271 PolarHBondContact O-ND2 3.42Å; N271-L273 HydrophobicContact CB-CG 4.18Å; N271-Y293 PolarHBondContact N-O 2.99Å; N271-Y293 VanDerWaalsContact N-O 3.17Å; N271-N294 WeakPolarHBondContact CA-OD1 3.42Å; N271-N294 WeakPolarHBondContact CB-OD1 3.05Å; N271-N294 PolarHBondContact N-OD1 3.26Å; N271-N294 PolarHBondContact O-OD1 2.84Å
272	E	98.1	Very high	97.1	Very high	52 Å²	52	32.7 Å²	32.7	24%	0.243	17%	0.172	C	C	.	.			trans	-112.2	22.7	-179.9	-59.4	-168.5	-146.9	0	0	111.5	L250 E251 L274 R295	L250-E272 CarbonylContact O-C 3.06Å; L250-E272 WeakPolarHBondContact O-CA 3.24Å; L250-E272 PolarHBondContact O-N 3.12Å; E251-E272 HydrophobicContact CG-CB 4.36Å; E272-L274 PolarHBondContact O-N 3.3Å; E272-R295 VanDerWaalsContact CD-NH2 3.29Å; E272-R295 IonicContact OE2-CZ 3.99Å; E272-R295 IonicContact OE2-NH1 3.84Å; E272-R295 PolarHBondContact OE2-NH1 3.41Å; E272-R295 IonicContact OE2-NH2 2.74Å; E272-R295 PolarHBondContact OE2-NH2 3.24Å
273	L	98.3	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.			trans	-60.2	125.5	-168.3	-67.8	172.8	0	0	0	111.7	L250 E251 L268 N271 L276 N294 R295 L296	L250-L273 HydrophobicContact CB-CD2 3.91Å; L250-L273 HydrophobicContact CB-CG 4.49Å; L250-L273 PolarHBondContact O-N 2.82Å; E251-L273 WeakPolarHBondContact O-CA 3.34Å; L268-L273 HydrophobicContact CB-CD1 3.83Å; L268-L273 HydrophobicContact CD1-CD1 4.26Å; L268-L273 HydrophobicContact CD2-CD1 4.07Å; L268-L273 HydrophobicContact CG-CD1 4.28Å; N271-L273 HydrophobicContact CB-CG 4.18Å; L273-L276 HydrophobicContact CD1-CD2 4.28Å; L273-N294 HydrophobicContact CB-CB 4.18Å; L273-N294 VanDerWaalsContact CB-OD1 3.29Å; L273-N294 WeakPolarHBondContact CB-OD1 3.36Å; L273-N294 WeakPolarHBondContact CG-OD1 3.09Å; L273-N294 PolarHBondContact N-OD1 2.87Å; L273-R295 CarbonylContact O-C 3.19Å; L273-R295 VanDerWaalsContact O-CA 3.26Å; L273-R295 WeakPolarHBondContact O-CA 3.33Å; L273-R295 PolarHBondContact O-N 3.12Å; L273-L296 HydrophobicContact CB-CD2 3.91Å; L273-L296 PolarHBondContact O-N 2.92Å
274	L	97.6	Very high	96.9	Very high	71 Å²	71	31.7 Å²	31.7	37%	0.372	18%	0.175	S	C	.	.			trans	-88.7	-32.9	179.5	-59.5	175.8	0	0	0	112.3	E251 E272 R295 S297	E251-L274 PolarHBondContact O-N 3.03Å; E272-L274 PolarHBondContact O-N 3.3Å; L274-R295 HydrophobicContact CD2-CB 3.99Å; L274-S297 PolarHBondContact O-N 2.82Å
275	D	97.2	Very high	96.8	Very high	70 Å²	70	32.3 Å²	32.3	37%	0.374	18%	0.18	S	C	.	.			trans	-148.3	178.8	-177.9	71.5	-24.7	0	0	0	112.4	H252 L296	H252-D275 IonicContact CE1-OD1 3.69Å; H252-D275 IonicContact CG-OD1 3.98Å; H252-D275 IonicContact ND1-OD1 3.54Å; H252-D275 PolarHBondContact ND1-OD1 2.97Å; D275-L296 WeakPolarHBondContact O-CD2 3.43Å
276	L	97.7	Very high	96.8	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.052	18%	0.175	C	C	.	.			trans	-131.9	138.4	168.8	-65.5	171.1	0	0	0	108.6	L268 L273 L291 L296 I299 P300	L268-L276 HydrophobicContact CD1-CD2 4.25Å; L273-L276 HydrophobicContact CD1-CD2 4.28Å; L276-L291 HydrophobicContact CD1-CD1 3.68Å; L276-L291 HydrophobicContact CD1-CD2 3.85Å; L276-L291 HydrophobicContact CD1-CG 4.44Å; L276-L291 HydrophobicContact CD2-CD2 3.9Å; L276-L291 HydrophobicContact CG-CD2 4.41Å; L276-L296 HydrophobicContact CD1-CD1 4.38Å; L276-L296 HydrophobicContact CG-CD2 4.02Å; L276-I299 HydrophobicContact CD1-CD1 4.16Å; L276-P300 HydrophobicContact CB-CG 3.98Å
277	P	97.2	Very high	96.6	Very high	18 Å²	18	32.4 Å²	32.4	12%	0.117	18%	0.183	C	C	.	.			trans	-68.2	144	-179.2	29.1	-36.1	0	0	0	111.3	L253 K255 I257 T279 I280	L253-P277 HydrophobicContact CB-CG 4.37Å; L253-P277 HydrophobicContact CD2-CG 4.34Å; K255-P277 HydrophobicContact CB-CB 4.14Å; I257-P277 HydrophobicContact CG2-CG 4.19Å; P277-T279 PolarHBondContact O-N 3.07Å; P277-I280 WeakPolarHBondContact O-CB 3.29Å; P277-I280 VanDerWaalsContact O-CG2 3.29Å; P277-I280 WeakPolarHBondContact O-CG2 3.2Å; P277-I280 PolarHBondContact O-N 2.99Å
278	D	96.6	Very high	96.4	Very high	114 Å²	114	36.3 Å²	36.3	61%	0.61	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-56.6	-22.7	177.2	-85.2	-40	0	0	0	113.5	I280 G281 P300 S302	D278-I280 PolarHBondContact O-N 3.08Å; D278-G281 PolarHBondContact O-N 2.88Å; D278-P300 VanDerWaalsContact OD1-CB 3.24Å; D278-P300 WeakPolarHBondContact OD1-CB 3.49Å; D278-S302 WeakPolarHBondContact O-CB 3.45Å; D278-S302 PolarHBondContact O-OG 2.87Å
279	T	97.4	Very high	96.3	Very high	39 Å²	39	36.7 Å²	36.7	24%	0.239	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-68.2	-11.6	175.3	53.5	0	0	0	0	114	K255 G258 P277 G281 N282	K255-T279 WeakPolarHBondContact CA-OG1 3.32Å; K255-T279 HydrophobicContact CB-CG2 4.2Å; K255-T279 WeakPolarHBondContact O-CB 3.18Å; K255-T279 PolarHBondContact O-OG1 3.49Å; G258-T279 WeakPolarHBondContact CA-O 3.3Å; P277-T279 PolarHBondContact O-N 3.07Å; T279-G281 PolarHBondContact O-N 3.15Å; T279-N282 VanDerWaalsContact O-CB 3.29Å; T279-N282 WeakPolarHBondContact O-CB 3.14Å; T279-N282 PolarHBondContact O-N 3.01Å
280	I	96.7	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-56.7	-31.3	174.7	-160.7	71.5	0	0	0	112.1	L253 L266 P277 D278 N282 L283 P300 L303	L253-I280 HydrophobicContact CD2-CD1 4.21Å; L266-I280 HydrophobicContact CD2-CD1 3.76Å; P277-I280 WeakPolarHBondContact O-CB 3.29Å; P277-I280 VanDerWaalsContact O-CG2 3.29Å; P277-I280 WeakPolarHBondContact O-CG2 3.2Å; P277-I280 PolarHBondContact O-N 2.99Å; D278-I280 PolarHBondContact O-N 3.08Å; I280-N282 PolarHBondContact O-N 2.97Å; I280-N282 VanDerWaalsContact O-N 3.16Å; I280-L283 HydrophobicContact CD1-CD1 3.75Å; I280-L283 WeakPolarHBondContact O-CB 3.39Å; I280-L283 WeakPolarHBondContact O-CG 3.07Å; I280-L283 PolarHBondContact O-N 3.38Å; I280-L283 VanDerWaalsContact O-N 3.13Å; I280-P300 HydrophobicContact CG2-CG 3.59Å; I280-L303 HydrophobicContact CG1-CD1 4.46Å; I280-L303 HydrophobicContact CG2-CD1 4.27Å
281	G	95.6	Very high	96.2	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.021	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-68.8	-4.4	175.6	0	0	0	0	0	115.4	D278 T279 L283 S302 K305	D278-G281 PolarHBondContact O-N 2.88Å; T279-G281 PolarHBondContact O-N 3.15Å; G281-L283 VanDerWaalsContact C-N 3.32Å; G281-S302 WeakPolarHBondContact CA-O 3.39Å; G281-K305 WeakPolarHBondContact O-CB 3.15Å; G281-K305 WeakPolarHBondContact O-CD 3.32Å
282	N	96.9	Very high	96.2	Very high	70 Å²	70	36 Å²	36	37%	0.374	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-81.7	-14.9	171.5	-65.3	-6.8	0	0	0	112.2	G258 T279 I280 S284	G258-N282 VanDerWaalsContact O-CB 3.23Å; G258-N282 WeakPolarHBondContact O-CB 3.24Å; T279-N282 VanDerWaalsContact O-CB 3.29Å; T279-N282 WeakPolarHBondContact O-CB 3.14Å; T279-N282 PolarHBondContact O-N 3.01Å; I280-N282 PolarHBondContact O-N 2.97Å; I280-N282 VanDerWaalsContact O-N 3.16Å; N282-S284 PolarHBondContact O-N 3.19Å
283	L	96.1	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.			trans	-77.6	63.8	177.8	-54.5	-174.4	0	0	0	110.6	C260 I263 L266 I280 G281 S285 L286 C306	C260-L283 VanDerWaalsContact O-CD2 3.26Å; C260-L283 WeakPolarHBondContact O-CD2 3.47Å; I263-L283 HydrophobicContact CB-CD1 4.49Å; I263-L283 HydrophobicContact CB-CD2 4.49Å; L266-L283 HydrophobicContact CD2-CD1 4.16Å; I280-L283 HydrophobicContact CD1-CD1 3.75Å; I280-L283 WeakPolarHBondContact O-CB 3.39Å; I280-L283 WeakPolarHBondContact O-CG 3.07Å; I280-L283 PolarHBondContact O-N 3.38Å; I280-L283 VanDerWaalsContact O-N 3.13Å; G281-L283 VanDerWaalsContact C-N 3.32Å; L283-S285 PolarHBondContact O-N 3.03Å; L283-L286 HydrophobicContact CB-CB 3.97Å; L283-L286 HydrophobicContact CB-CD2 4.33Å; L283-L286 HydrophobicContact CD1-CD2 4.43Å; L283-L286 WeakPolarHBondContact O-CB 3.49Å; L283-L286 PolarHBondContact O-N 3.01Å; L283-C306 PolarHBondContact O-SG 3.12Å
284	S	92.3	Very high	96.2	Very high	69 Å²	69	37 Å²	37	48%	0.483	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.6	-175.3	56.1	0	0	0	0	113.9	N282 L286	N282-S284 PolarHBondContact O-N 3.19Å; S284-L286 VanDerWaalsContact C-N 3.33Å
285	S	93.9	Very high	96.2	Very high	53 Å²	53	39.1 Å²	39.1	37%	0.371	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-4.6	174	-59.1	0	0	0	0	114.6	T261 I263 L283 S287	T261-S285 PolarHBondContact O-OG 3.46Å; I263-S285 CarbonylContact O-C 3.32Å; L283-S285 PolarHBondContact O-N 3.03Å; S285-S287 PolarHBondContact O-N 2.94Å; S285-S287 VanDerWaalsContact O-N 3.16Å
286	L	95.4	Very high	96.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.			trans	-66.4	112	-173.8	-171.5	67.8	0	0	0	111.5	I263 L266 L283 S284 L289 A308 L309	I263-L286 HydrophobicContact CG2-CD1 3.95Å; I263-L286 WeakPolarHBondContact O-CA 3.14Å; I263-L286 PolarHBondContact O-N 3.42Å; L266-L286 HydrophobicContact CB-CD1 3.85Å; L283-L286 HydrophobicContact CB-CB 3.97Å; L283-L286 HydrophobicContact CB-CD2 4.33Å; L283-L286 HydrophobicContact CD1-CD2 4.43Å; L283-L286 WeakPolarHBondContact O-CB 3.49Å; L283-L286 PolarHBondContact O-N 3.01Å; S284-L286 VanDerWaalsContact C-N 3.33Å; L286-L289 HydrophobicContact CD2-CB 3.97Å; L286-L289 HydrophobicContact CD2-CD1 4.3Å; L286-L289 HydrophobicContact CD2-CD2 3.97Å; L286-L289 HydrophobicContact CD2-CG 4.3Å; L286-L289 HydrophobicContact CG-CB 4.36Å; L286-A308 CarbonylContact O-C 3.54Å; L286-A308 WeakPolarHBondContact O-CB 3.46Å; L286-L309 HydrophobicContact CD2-CD2 4.32Å; L286-L309 HydrophobicContact CG-CD2 4.03Å; L286-L309 PolarHBondContact O-N 3Å
287	S	93.3	Very high	96.2	Very high	25 Å²	25	38.7 Å²	38.7	18%	0.175	20%	0.204	C	C	.	.			trans	-99.6	-30	178.3	64.3	0	0	0	0	112.8	T264 S285 E310	T264-S287 PolarHBondContact O-N 2.91Å; T264-S287 PolarHBondContact O-OG 3.01Å; T264-S287 VanDerWaalsContact O-OG 3.07Å; S285-S287 PolarHBondContact O-N 2.94Å; S285-S287 VanDerWaalsContact O-N 3.16Å; S287-E310 PolarHBondContact O-N 3.45Å
288	R	93.1	Very high	96.1	Very high	83 Å²	83	40.2 Å²	40.2	31%	0.313	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120.9	179.7	-59.5	-170.5	-173.3	171	0	111.7	F66 T264 L266	F66-R288 HydrophobicContact CE2-CB 4.02Å; F66-R288 HydrophobicContact CZ-CB 4.2Å; T264-R288 PolarHBondContact O-N 2.73Å; L266-R288 PolarHBondContact N-O 3.16Å
289	L	95.9	Very high	96.1	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	106.1	178.6	178.3	54.9	0	0	0	109.8	L266 L268 L286 L291 L303 L309	L266-L289 HydrophobicContact CB-CD1 4.11Å; L266-L289 HydrophobicContact CD2-CD1 3.97Å; L266-L289 HydrophobicContact CG-CD1 4.09Å; L266-L289 WeakPolarHBondContact O-CA 3.33Å; L268-L289 HydrophobicContact CD1-CD1 4.32Å; L286-L289 HydrophobicContact CD2-CB 3.97Å; L286-L289 HydrophobicContact CD2-CD1 4.3Å; L286-L289 HydrophobicContact CD2-CD2 3.97Å; L286-L289 HydrophobicContact CD2-CG 4.3Å; L286-L289 HydrophobicContact CG-CB 4.36Å; L289-L291 HydrophobicContact CD1-CD1 4.31Å; L289-L291 HydrophobicContact CD1-CD2 4.16Å; L289-L291 HydrophobicContact CD1-CG 4.07Å; L289-L291 HydrophobicContact CD2-CD1 3.76Å; L289-L291 HydrophobicContact CD2-CG 4.4Å; L289-L291 HydrophobicContact CG-CD1 3.75Å; L289-L291 HydrophobicContact CG-CD2 4.46Å; L289-L291 HydrophobicContact CG-CG 3.86Å; L289-L303 HydrophobicContact CD2-CD1 3.62Å; L289-L303 HydrophobicContact CD2-CD2 4.25Å; L289-L309 HydrophobicContact CB-CD2 3.88Å
290	G	95.8	Very high	96	Very high	5 Å²	5	34 Å²	34	5%	0.052	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	110.5	-179.9	0	0	0	0	0	111.7	L266 L268 Q269	L266-G290 PolarHBondContact O-N 2.9Å; L268-G290 CarbonylContact C-O 3.45Å; L268-G290 WeakPolarHBondContact CA-O 3.07Å; L268-G290 WeakPolarHBondContact CB-O 3.39Å; L268-G290 PolarHBondContact N-O 3.22Å; Q269-G290 PolarHBondContact N-O 3Å
291	L	97.3	Very high	96	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.			trans	-124.6	-3	-177.6	-67.2	169.1	0	0	0	114.7	L268 L276 L289 N294 L296 I299 L314 N317	L268-L291 HydrophobicContact CB-CD2 4.1Å; L268-L291 HydrophobicContact CD1-CD2 3.93Å; L276-L291 HydrophobicContact CD1-CD1 3.68Å; L276-L291 HydrophobicContact CD1-CD2 3.85Å; L276-L291 HydrophobicContact CD1-CG 4.44Å; L276-L291 HydrophobicContact CD2-CD2 3.9Å; L276-L291 HydrophobicContact CG-CD2 4.41Å; L289-L291 HydrophobicContact CD1-CD1 4.31Å; L289-L291 HydrophobicContact CD1-CD2 4.16Å; L289-L291 HydrophobicContact CD1-CG 4.07Å; L289-L291 HydrophobicContact CD2-CD1 3.76Å; L289-L291 HydrophobicContact CD2-CG 4.4Å; L289-L291 HydrophobicContact CG-CD1 3.75Å; L289-L291 HydrophobicContact CG-CD2 4.46Å; L289-L291 HydrophobicContact CG-CG 3.86Å; L291-N294 PolarHBondContact O-ND2 3.25Å; L291-L296 HydrophobicContact CB-CD1 4.12Å; L291-L296 HydrophobicContact CD1-CD1 4.34Å; L291-L296 HydrophobicContact CD2-CD1 4.15Å; L291-L296 HydrophobicContact CG-CD1 4.43Å; L291-I299 HydrophobicContact CD1-CD1 4.39Å; L291-L314 HydrophobicContact CB-CD2 3.84Å; L291-L314 HydrophobicContact CD1-CD2 3.52Å; L291-L314 HydrophobicContact CG-CD2 4.34Å; L291-N317 PolarHBondContact O-ND2 2.72Å; L291-N317 VanDerWaalsContact O-ND2 3.07Å
292	R	97.3	Very high	96	Very high	68 Å²	68	44 Å²	44	26%	0.257	22%	0.223	S	C	.	.			trans	-58.7	150.9	179.7	61.8	160.3	-159.2	-166.3	-5.5	113.4	Q269 H270 N313 E315	Q269-R292 VanDerWaalsContact CA-O 3.27Å; Q269-R292 WeakPolarHBondContact CA-O 3.37Å; Q269-R292 HydrophobicContact CB-CG 4.11Å; Q269-R292 HydrophobicContact CG-CG 3.6Å; H270-R292 PolarHBondContact N-O 3.37Å; H270-R292 PolarHBondContact NE2-NE 3.3Å; H270-R292 PolarHBondContact NE2-NH2 3.29Å; R292-N313 PolarHBondContact N-O 3.32Å; R292-E315 CarbonylContact C-O 3.33Å; R292-E315 WeakPolarHBondContact CA-O 3.12Å; R292-E315 HydrophobicContact CB-CB 3.92Å; R292-E315 WeakPolarHBondContact CB-O 3.39Å
293	Y	98.1	Very high	96	Very high	65 Å²	65	40.6 Å²	40.6	26%	0.255	21%	0.205	S	C	.	.	S	Bend	trans	55.1	64.2	-176.7	-56.3	-82	0	0	0	111.9	H270 N271 E315 N316	H270-Y293 WeakPolarHBondContact CA-O 3.2Å; H270-Y293 AromaticContact CE1-CD1 3.71Å; H270-Y293 AromaticContact CE1-CD2 2.98Å; H270-Y293 WeakPolarHBondContact CE1-CD2 3.31Å; H270-Y293 AromaticContact CE1-CE1 3.89Å; H270-Y293 AromaticContact CE1-CE2 3.14Å; H270-Y293 WeakPolarHBondContact CE1-CE2 3.42Å; H270-Y293 AromaticContact CE1-CG 3.28Å; H270-Y293 AromaticContact CE1-CZ 3.62Å; H270-Y293 PolarHBondContact N-O 2.99Å; H270-Y293 VanDerWaalsContact N-O 3.16Å; H270-Y293 AromaticContact ND1-CD2 3.78Å; H270-Y293 AromaticContact ND1-CG 3.67Å; H270-Y293 AromaticContact NE2-CD2 3.42Å; H270-Y293 WeakPolarHBondContact NE2-CD2 3.24Å; H270-Y293 AromaticContact NE2-CE2 3.63Å; N271-Y293 PolarHBondContact N-O 2.99Å; N271-Y293 VanDerWaalsContact N-O 3.17Å; Y293-E315 PolarHBondContact N-O 3.16Å; Y293-N316 WeakPolarHBondContact CA-O 2.98Å; Y293-N316 HydrophobicContact CD1-CB 3.49Å; Y293-N316 VanDerWaalsContact CD1-CB 3.49Å; Y293-N316 VanDerWaalsContact CD1-CG 3.45Å; Y293-N316 HydrophobicContact CE1-CB 3.63Å; Y293-N316 HydrophobicContact CG-CB 4.12Å; Y293-N316 PolarHBondContact N-O 3.12Å
294	N	98.6	Very high	95.9	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	21%	0.214	C	C	.	.	S	Bend	trans	-133	-167.6	171.5	-85.8	-72.9	0	0	0	108.8	L268 N271 L273 L291 L296 N316 N317	L268-N294 PolarHBondContact O-ND2 3.17Å; N271-N294 WeakPolarHBondContact CA-OD1 3.42Å; N271-N294 WeakPolarHBondContact CB-OD1 3.05Å; N271-N294 PolarHBondContact N-OD1 3.26Å; N271-N294 PolarHBondContact O-OD1 2.84Å; L273-N294 HydrophobicContact CB-CB 4.18Å; L273-N294 VanDerWaalsContact CB-OD1 3.29Å; L273-N294 WeakPolarHBondContact CB-OD1 3.36Å; L273-N294 WeakPolarHBondContact CG-OD1 3.09Å; L273-N294 PolarHBondContact N-OD1 2.87Å; L291-N294 PolarHBondContact O-ND2 3.25Å; N294-L296 HydrophobicContact CB-CD1 4.48Å; N294-L296 HydrophobicContact CB-CG 4.12Å; N294-N316 PolarHBondContact N-O 2.98Å; N294-N316 VanDerWaalsContact O-O 3.12Å; N294-N317 WeakPolarHBondContact CA-OD1 3.16Å; N294-N317 WeakPolarHBondContact CB-OD1 3.38Å; N294-N317 PolarHBondContact O-OD1 3.44Å
295	R	98.1	Very high	96	Very high	116 Å²	116	44.6 Å²	44.6	44%	0.438	22%	0.217	S	C	.	.			trans	-118.8	27.6	177.6	-62.5	-175.6	-172.7	139.6	10.1	112	E272 L273 L274 S297 N317 N318	E272-R295 VanDerWaalsContact CD-NH2 3.29Å; E272-R295 IonicContact OE2-CZ 3.99Å; E272-R295 IonicContact OE2-NH1 3.84Å; E272-R295 PolarHBondContact OE2-NH1 3.41Å; E272-R295 IonicContact OE2-NH2 2.74Å; E272-R295 PolarHBondContact OE2-NH2 3.24Å; L273-R295 CarbonylContact O-C 3.19Å; L273-R295 VanDerWaalsContact O-CA 3.26Å; L273-R295 WeakPolarHBondContact O-CA 3.33Å; L273-R295 PolarHBondContact O-N 3.12Å; L274-R295 HydrophobicContact CD2-CB 3.99Å; R295-S297 PolarHBondContact O-N 2.91Å; R295-N317 PolarHBondContact N-OD1 3.31Å; R295-N318 WeakPolarHBondContact CA-OD1 3.47Å
296	L	98.2	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.			trans	-62.7	125.1	-173.4	-63.5	171.1	0	0	0	109.8	L273 D275 L276 L291 N294 I299 N317 N318 I319	L273-L296 HydrophobicContact CB-CD2 3.91Å; L273-L296 PolarHBondContact O-N 2.92Å; D275-L296 WeakPolarHBondContact O-CD2 3.43Å; L276-L296 HydrophobicContact CD1-CD1 4.38Å; L276-L296 HydrophobicContact CG-CD2 4.02Å; L291-L296 HydrophobicContact CB-CD1 4.12Å; L291-L296 HydrophobicContact CD1-CD1 4.34Å; L291-L296 HydrophobicContact CD2-CD1 4.15Å; L291-L296 HydrophobicContact CG-CD1 4.43Å; N294-L296 HydrophobicContact CB-CD1 4.48Å; N294-L296 HydrophobicContact CB-CG 4.12Å; L296-I299 HydrophobicContact CD1-CD1 4.06Å; L296-N317 HydrophobicContact CB-CB 4.31Å; L296-N317 VanDerWaalsContact CB-OD1 3.28Å; L296-N317 WeakPolarHBondContact CB-OD1 3.46Å; L296-N317 WeakPolarHBondContact CG-OD1 3.29Å; L296-N317 PolarHBondContact N-OD1 3.31Å; L296-N318 CarbonylContact O-C 3.08Å; L296-N318 VanDerWaalsContact O-CA 3.29Å; L296-N318 WeakPolarHBondContact O-CA 3.42Å; L296-N318 PolarHBondContact O-N 2.9Å; L296-I319 HydrophobicContact CB-CD1 4.36Å; L296-I319 HydrophobicContact CB-CG1 4.23Å; L296-I319 VanDerWaalsContact O-CG1 3.27Å; L296-I319 WeakPolarHBondContact O-CG1 3.47Å; L296-I319 PolarHBondContact O-N 2.8Å
297	S	96.4	Very high	96	Very high	72 Å²	72	44.8 Å²	44.8	50%	0.503	22%	0.218	S	C	.	.	S	Bend	trans	-89.2	-27.2	176.1	58.2	0	0	0	0	112.9	L274 R295	L274-S297 PolarHBondContact O-N 2.82Å; R295-S297 PolarHBondContact O-N 2.91Å
298	A	95.8	Very high	96	Very high	49 Å²	49	44.6 Å²	44.6	41%	0.405	22%	0.218	S	C	.	.			trans	-152.4	167.9	-179.7	0	0	0	0	0	110.9
299	I	96.2	Very high	96.1	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.046	20%	0.203	C	C	.	.			trans	-117	135.6	173.3	-62.4	-62.4	0	0	0	108.1	L276 L291 L296 L303 L314 I319 L322 P323 L326	L276-I299 HydrophobicContact CD1-CD1 4.16Å; L291-I299 HydrophobicContact CD1-CD1 4.39Å; L296-I299 HydrophobicContact CD1-CD1 4.06Å; I299-L303 HydrophobicContact CG2-CB 4.12Å; I299-L303 HydrophobicContact CG2-CD2 3.5Å; I299-L303 HydrophobicContact CG2-CG 4.45Å; I299-L314 HydrophobicContact CD1-CD1 4.17Å; I299-L314 HydrophobicContact CD1-CD2 3.92Å; I299-L314 HydrophobicContact CG1-CD1 3.93Å; I299-I319 HydrophobicContact CD1-CD1 3.97Å; I299-I319 HydrophobicContact CG1-CD1 3.91Å; I299-L322 HydrophobicContact CG1-CD2 4.39Å; I299-P323 WeakPolarHBondContact O-CG 3.38Å; I299-L326 HydrophobicContact CG2-CD2 4.1Å
300	P	96	Very high	95.9	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.084	22%	0.222	C	C	.	.			trans	-65.8	142.3	179.2	26.1	-35.2	0	0	0	111.6	L276 D278 I280 S302 L303	L276-P300 HydrophobicContact CB-CG 3.98Å; D278-P300 VanDerWaalsContact OD1-CB 3.24Å; D278-P300 WeakPolarHBondContact OD1-CB 3.49Å; I280-P300 HydrophobicContact CG2-CG 3.59Å; P300-S302 PolarHBondContact O-N 3.02Å; P300-S302 VanDerWaalsContact O-N 3.14Å; P300-L303 WeakPolarHBondContact O-CB 3.5Å; P300-L303 PolarHBondContact O-N 3.22Å
301	R	95.1	Very high	95.8	Very high	197 Å²	197	47.7 Å²	47.7	74%	0.743	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-60.8	-27.9	-178.2	-52.8	-160.2	176.6	129.2	-2.8	112.4	L303 S304 P323	R301-L303 PolarHBondContact O-N 3.22Å; R301-S304 WeakPolarHBondContact O-CB 3.41Å; R301-S304 PolarHBondContact O-N 3.01Å; R301-S304 PolarHBondContact O-OG 2.9Å; R301-P323 HydrophobicContact CB-CB 4.3Å; R301-P323 HydrophobicContact CG-CB 4.03Å; R301-P323 HydrophobicContact CG-CG 4.35Å
302	S	96.3	Very high	95.7	Very high	15 Å²	15	47.7 Å²	47.7	11%	0.105	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-63.5	-21	-179.7	63.7	0	0	0	0	114.1	D278 G281 P300 S304 K305	D278-S302 WeakPolarHBondContact O-CB 3.45Å; D278-S302 PolarHBondContact O-OG 2.87Å; G281-S302 WeakPolarHBondContact CA-O 3.39Å; P300-S302 PolarHBondContact O-N 3.02Å; P300-S302 VanDerWaalsContact O-N 3.14Å; S302-S304 PolarHBondContact O-N 2.96Å; S302-S304 VanDerWaalsContact O-N 3.09Å; S302-K305 VanDerWaalsContact O-CB 3.32Å; S302-K305 WeakPolarHBondContact O-CB 3.27Å; S302-K305 WeakPolarHBondContact O-CG 3.31Å; S302-K305 PolarHBondContact O-N 3.01Å
303	L	96.2	Very high	95.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.4	-22.3	177	-169.9	68	0	0	0	112.5	I280 L289 I299 P300 R301 K305 C306 L309 L312 L326	I280-L303 HydrophobicContact CG1-CD1 4.46Å; I280-L303 HydrophobicContact CG2-CD1 4.27Å; L289-L303 HydrophobicContact CD2-CD1 3.62Å; L289-L303 HydrophobicContact CD2-CD2 4.25Å; I299-L303 HydrophobicContact CG2-CB 4.12Å; I299-L303 HydrophobicContact CG2-CD2 3.5Å; I299-L303 HydrophobicContact CG2-CG 4.45Å; P300-L303 WeakPolarHBondContact O-CB 3.5Å; P300-L303 PolarHBondContact O-N 3.22Å; R301-L303 PolarHBondContact O-N 3.22Å; L303-K305 PolarHBondContact O-N 3.13Å; L303-K305 VanDerWaalsContact O-N 3.1Å; L303-C306 HydrophobicContact CD1-CB 4.29Å; L303-C306 WeakPolarHBondContact O-CB 3.45Å; L303-C306 PolarHBondContact O-N 3.28Å; L303-L309 HydrophobicContact CD1-CD1 4.27Å; L303-L309 HydrophobicContact CG-CD1 4.42Å; L303-L312 HydrophobicContact CD2-CD1 4.46Å; L303-L326 HydrophobicContact CB-CD1 4.02Å; L303-L326 HydrophobicContact CD2-CD1 4.4Å; L303-L326 HydrophobicContact CG-CD1 4.24Å
304	S	94.4	Very high	95.6	Very high	27 Å²	27	42.6 Å²	42.6	19%	0.189	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-53.1	-25.5	169.9	55.3	0	0	0	0	114.3	R301 S302 C306 S329	R301-S304 WeakPolarHBondContact O-CB 3.41Å; R301-S304 PolarHBondContact O-N 3.01Å; R301-S304 PolarHBondContact O-OG 2.9Å; S302-S304 PolarHBondContact O-N 2.96Å; S302-S304 VanDerWaalsContact O-N 3.09Å; S304-C306 VanDerWaalsContact C-N 3.32Å; S304-S329 WeakPolarHBondContact O-CB 3.23Å
305	K	95.4	Very high	95.6	Very high	126 Å²	126	43.9 Å²	43.9	55%	0.548	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-74.4	-18.8	177.3	-63.7	177.8	179.4	-179.2	0	113.6	G281 S302 L303 S307	G281-K305 WeakPolarHBondContact O-CB 3.15Å; G281-K305 WeakPolarHBondContact O-CD 3.32Å; S302-K305 VanDerWaalsContact O-CB 3.32Å; S302-K305 WeakPolarHBondContact O-CB 3.27Å; S302-K305 WeakPolarHBondContact O-CG 3.31Å; S302-K305 PolarHBondContact O-N 3.01Å; L303-K305 PolarHBondContact O-N 3.13Å; L303-K305 VanDerWaalsContact O-N 3.1Å; K305-S307 PolarHBondContact O-N 3.21Å
306	C	95.3	Very high	95.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.			trans	-78.6	56	-179.6	-58.6	0	0	0	0	111.5	L283 L303 S304 A308 L309 L330	L283-C306 PolarHBondContact O-SG 3.12Å; L303-C306 HydrophobicContact CD1-CB 4.29Å; L303-C306 WeakPolarHBondContact O-CB 3.45Å; L303-C306 PolarHBondContact O-N 3.28Å; S304-C306 VanDerWaalsContact C-N 3.32Å; C306-A308 PolarHBondContact O-N 3.23Å; C306-L309 HydrophobicContact CB-CD1 3.73Å; C306-L309 HydrophobicContact CB-CG 3.97Å; C306-L309 WeakPolarHBondContact O-CB 3.06Å; C306-L309 WeakPolarHBondContact O-CG 3.5Å; C306-L309 PolarHBondContact O-N 3.4Å; C306-L330 VanDerWaalsContact O-CD2 3.31Å; C306-L330 WeakPolarHBondContact O-CD2 3.36Å
307	S	92.6	Very high	95.6	Very high	57 Å²	57	41.5 Å²	41.5	40%	0.399	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-9	-175.5	60.2	0	0	0	0	115.1	K305	K305-S307 PolarHBondContact O-N 3.21Å
308	A	94.4	Very high	95.7	Very high	20 Å²	20	42.1 Å²	42.1	17%	0.165	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.9	173.6	0	0	0	0	0	114.3	L286 C306 E310	L286-A308 CarbonylContact O-C 3.54Å; L286-A308 WeakPolarHBondContact O-CB 3.46Å; C306-A308 PolarHBondContact O-N 3.23Å; A308-E310 PolarHBondContact O-N 3.16Å
309	L	94.8	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.			trans	-62.8	123.9	-178.8	-73.8	171.7	0	0	0	112.5	L286 L289 L303 C306 L330 K332 L333	L286-L309 HydrophobicContact CD2-CD2 4.32Å; L286-L309 HydrophobicContact CG-CD2 4.03Å; L286-L309 PolarHBondContact O-N 3Å; L289-L309 HydrophobicContact CB-CD2 3.88Å; L303-L309 HydrophobicContact CD1-CD1 4.27Å; L303-L309 HydrophobicContact CG-CD1 4.42Å; C306-L309 HydrophobicContact CB-CD1 3.73Å; C306-L309 HydrophobicContact CB-CG 3.97Å; C306-L309 WeakPolarHBondContact O-CB 3.06Å; C306-L309 WeakPolarHBondContact O-CG 3.5Å; C306-L309 PolarHBondContact O-N 3.4Å; L309-L330 HydrophobicContact CB-CD2 4.4Å; L309-L330 HydrophobicContact CD1-CD1 4.27Å; L309-L330 HydrophobicContact CD1-CD2 4.05Å; L309-K332 CarbonylContact O-C 3.58Å; L309-L333 PolarHBondContact O-N 3.17Å
310	E	92.1	Very high	95.7	Very high	92 Å²	92	42 Å²	42	43%	0.43	21%	0.213	S	C	.	.	S	Bend	trans	-96	-30.3	178.4	-62.3	178.2	166.5	0	0	112.4	S287 A308 K332 N334	S287-E310 PolarHBondContact O-N 3.45Å; A308-E310 PolarHBondContact O-N 3.16Å; E310-K332 WeakPolarHBondContact CA-O 3.39Å; E310-N334 PolarHBondContact O-N 3.37Å
311	E	92.6	Very high	95.7	Very high	68 Å²	68	45.9 Å²	45.9	32%	0.318	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.4	179.3	179.7	178.3	168.7	0	0	110	S335	E311-S335 WeakPolarHBondContact CA-O 3.45Å
312	L	95.3	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	107	172.7	-178.6	59.3	0	0	0	109.3	L303 L314 L330 L333 S335 L336 T337	L303-L312 HydrophobicContact CD2-CD1 4.46Å; L312-L314 HydrophobicContact CD1-CD2 3.85Å; L312-L314 HydrophobicContact CD1-CG 4.1Å; L312-L314 HydrophobicContact CD2-CD1 4.37Å; L312-L314 HydrophobicContact CG-CD1 4.33Å; L312-L314 HydrophobicContact CG-CD2 4.42Å; L312-L314 HydrophobicContact CG-CG 4.11Å; L312-L330 HydrophobicContact CD2-CD1 4.14Å; L312-L333 HydrophobicContact CB-CD1 3.68Å; L312-L333 HydrophobicContact CB-CD2 4.46Å; L312-S335 PolarHBondContact N-O 3Å; L312-S335 VanDerWaalsContact N-O 3.08Å; L312-L336 HydrophobicContact CB-CD1 4.06Å; L312-L336 HydrophobicContact CD2-CD1 4.09Å; L312-L336 HydrophobicContact CG-CD1 4.15Å; L312-L336 WeakPolarHBondContact O-CA 3.14Å; L312-T337 PolarHBondContact O-N 3.37Å
313	N	96.4	Very high	95.6	Very high	27 Å²	27	37.4 Å²	37.4	14%	0.144	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110	177.9	-171.5	-22.1	0	0	0	110.5	R292 E315	R292-N313 PolarHBondContact N-O 3.32Å; N313-E315 WeakPolarHBondContact OD1-CB 3.14Å; N313-E315 PolarHBondContact OD1-N 3.36Å
314	L	97.3	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.			trans	-110.2	18.6	179.2	-56.3	-179.8	0	0	0	112	L291 I299 L312 N317 I319 L322 T337 L338 N341	L291-L314 HydrophobicContact CB-CD2 3.84Å; L291-L314 HydrophobicContact CD1-CD2 3.52Å; L291-L314 HydrophobicContact CG-CD2 4.34Å; I299-L314 HydrophobicContact CD1-CD1 4.17Å; I299-L314 HydrophobicContact CD1-CD2 3.92Å; I299-L314 HydrophobicContact CG1-CD1 3.93Å; L312-L314 HydrophobicContact CD1-CD2 3.85Å; L312-L314 HydrophobicContact CD1-CG 4.1Å; L312-L314 HydrophobicContact CD2-CD1 4.37Å; L312-L314 HydrophobicContact CG-CD1 4.33Å; L312-L314 HydrophobicContact CG-CD2 4.42Å; L312-L314 HydrophobicContact CG-CG 4.11Å; L314-N317 PolarHBondContact O-ND2 3.07Å; L314-I319 HydrophobicContact CB-CD1 3.98Å; L314-I319 HydrophobicContact CD1-CD1 3.81Å; L314-I319 HydrophobicContact CG-CD1 4.32Å; L314-L322 HydrophobicContact CD1-CD2 3.99Å; L314-T337 PolarHBondContact N-O 3.36Å; L314-L338 HydrophobicContact CB-CD2 4.17Å; L314-L338 HydrophobicContact CD1-CD2 3.75Å; L314-L338 HydrophobicContact CG-CD2 4.27Å; L314-N341 PolarHBondContact O-ND2 2.88Å
315	E	98.1	Very high	95	Very high	34 Å²	34	46 Å²	46	16%	0.159	25%	0.25	C	C	.	.			trans	-52.7	140.4	-175.3	-175.9	-174.3	179.5	0	0	112.7	R292 Y293 N313 N317 T337 A339 R340	R292-E315 CarbonylContact C-O 3.33Å; R292-E315 WeakPolarHBondContact CA-O 3.12Å; R292-E315 HydrophobicContact CB-CB 3.92Å; R292-E315 WeakPolarHBondContact CB-O 3.39Å; Y293-E315 PolarHBondContact N-O 3.16Å; N313-E315 WeakPolarHBondContact OD1-CB 3.14Å; N313-E315 PolarHBondContact OD1-N 3.36Å; E315-N317 PolarHBondContact O-ND2 2.89Å; E315-T337 HydrophobicContact CB-CG2 3.98Å; E315-A339 VanDerWaalsContact CA-O 3.28Å; E315-A339 WeakPolarHBondContact CA-O 3.26Å; E315-A339 HydrophobicContact CG-CB 4.33Å; E315-R340 HydrophobicContact CG-CB 4.42Å; E315-R340 IonicContact OE1-NE 3.84Å
316	N	98.3	Very high	94.9	Very high	59 Å²	59	40 Å²	40	32%	0.316	22%	0.223	S	C	.	.	S	Bend	trans	58.8	62.4	172.7	-161.4	102.6	0	0	0	111.8	Y293 N294 A339 R340	Y293-N316 WeakPolarHBondContact CA-O 2.98Å; Y293-N316 HydrophobicContact CD1-CB 3.49Å; Y293-N316 VanDerWaalsContact CD1-CB 3.49Å; Y293-N316 VanDerWaalsContact CD1-CG 3.45Å; Y293-N316 HydrophobicContact CE1-CB 3.63Å; Y293-N316 HydrophobicContact CG-CB 4.12Å; Y293-N316 PolarHBondContact N-O 3.12Å; N294-N316 PolarHBondContact N-O 2.98Å; N294-N316 VanDerWaalsContact O-O 3.12Å; N316-A339 PolarHBondContact N-O 3.24Å; N316-A339 VanDerWaalsContact N-O 3.12Å; N316-R340 WeakPolarHBondContact CA-O 3.13Å; N316-R340 HydrophobicContact CB-CB 4.06Å; N316-R340 PolarHBondContact N-O 2.91Å
317	N	98.6	Very high	94.8	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.037	23%	0.225	C	C	.	.	S	Bend	trans	-133.3	-174.1	174.4	-84.2	-79.7	0	0	0	109.4	L291 N294 R295 L296 L314 E315 I319 R340 N341	L291-N317 PolarHBondContact O-ND2 2.72Å; L291-N317 VanDerWaalsContact O-ND2 3.07Å; N294-N317 WeakPolarHBondContact CA-OD1 3.16Å; N294-N317 WeakPolarHBondContact CB-OD1 3.38Å; N294-N317 PolarHBondContact O-OD1 3.44Å; R295-N317 PolarHBondContact N-OD1 3.31Å; L296-N317 HydrophobicContact CB-CB 4.31Å; L296-N317 VanDerWaalsContact CB-OD1 3.28Å; L296-N317 WeakPolarHBondContact CB-OD1 3.46Å; L296-N317 WeakPolarHBondContact CG-OD1 3.29Å; L296-N317 PolarHBondContact N-OD1 3.31Å; L314-N317 PolarHBondContact O-ND2 3.07Å; E315-N317 PolarHBondContact O-ND2 2.89Å; N317-I319 HydrophobicContact CB-CD1 4.14Å; N317-I319 HydrophobicContact CB-CG1 4.04Å; N317-R340 PolarHBondContact N-O 3.19Å; N317-N341 VanDerWaalsContact CB-OD1 3.27Å; N317-N341 WeakPolarHBondContact CB-OD1 3.45Å; N317-N341 PolarHBondContact O-OD1 3.04Å
318	N	97.9	Very high	94.8	Very high	84 Å²	84	39.3 Å²	39.3	45%	0.449	22%	0.218	S	C	.	.			trans	-107.6	22.7	-179.7	-63.4	107.9	0	0	0	112.9	R295 L296	R295-N318 WeakPolarHBondContact CA-OD1 3.47Å; L296-N318 CarbonylContact O-C 3.08Å; L296-N318 VanDerWaalsContact O-CA 3.29Å; L296-N318 WeakPolarHBondContact O-CA 3.42Å; L296-N318 PolarHBondContact O-N 2.9Å
319	I	97.3	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.			trans	-74.3	131.4	-172	-55.9	170.7	0	0	0	110	L296 I299 L314 N317 T321 L322 N341 C342 F343	L296-I319 HydrophobicContact CB-CD1 4.36Å; L296-I319 HydrophobicContact CB-CG1 4.23Å; L296-I319 VanDerWaalsContact O-CG1 3.27Å; L296-I319 WeakPolarHBondContact O-CG1 3.47Å; L296-I319 PolarHBondContact O-N 2.8Å; I299-I319 HydrophobicContact CD1-CD1 3.97Å; I299-I319 HydrophobicContact CG1-CD1 3.91Å; L314-I319 HydrophobicContact CB-CD1 3.98Å; L314-I319 HydrophobicContact CD1-CD1 3.81Å; L314-I319 HydrophobicContact CG-CD1 4.32Å; N317-I319 HydrophobicContact CB-CD1 4.14Å; N317-I319 HydrophobicContact CB-CG1 4.04Å; I319-T321 WeakPolarHBondContact CG2-O 3.47Å; I319-L322 HydrophobicContact CG2-CD2 4.15Å; I319-N341 VanDerWaalsContact CB-OD1 3.3Å; I319-N341 WeakPolarHBondContact CB-OD1 3.45Å; I319-N341 PolarHBondContact N-OD1 3.45Å; I319-C342 CarbonylContact O-C 3.54Å; I319-C342 WeakPolarHBondContact O-CA 3.5Å; I319-C342 WeakPolarHBondContact O-CB 3.47Å; I319-C342 PolarHBondContact O-N 3.4Å; I319-F343 HydrophobicContact CB-CE2 4.35Å; I319-F343 HydrophobicContact CB-CZ 4.28Å; I319-F343 HydrophobicContact CG2-CE1 4.26Å; I319-F343 HydrophobicContact CG2-CE2 4.18Å; I319-F343 HydrophobicContact CG2-CZ 3.62Å
320	S	96.1	Very high	94.7	Very high	56 Å²	56	40.3 Å²	40.3	39%	0.392	22%	0.224	S	C	.	.			trans	-110.6	-24	177.8	58.1	0	0	0	0	113.8	F343	S320-F343 VanDerWaalsContact O-CD1 3.28Å; S320-F343 WeakPolarHBondContact O-CD1 3.15Å
321	T	95.4	Very high	94.7	Very high	95 Å²	95	40.6 Å²	40.6	58%	0.583	23%	0.231	S	C	*	.			trans	-145.4	153.6	-180	55.8	0	0	0	0	110.1	I319	I319-T321 WeakPolarHBondContact CG2-O 3.47Å
322	L	95.8	Very high	94.8	Very high	17 Å²	17	42.7 Å²	42.7	9%	0.089	24%	0.239	C	C	.	.			trans	-106.2	151.7	168.6	-65.4	-178.8	0	0	0	109.7	I299 L314 I319 E324 L327 L338 F343 P347	I299-L322 HydrophobicContact CG1-CD2 4.39Å; L314-L322 HydrophobicContact CD1-CD2 3.99Å; I319-L322 HydrophobicContact CG2-CD2 4.15Å; L322-E324 PolarHBondContact O-N 3.39Å; L322-L327 HydrophobicContact CD1-CD1 3.99Å; L322-L327 HydrophobicContact CD1-CD2 4.04Å; L322-L327 HydrophobicContact CD1-CG 4.11Å; L322-L338 HydrophobicContact CD1-CD1 3.89Å; L322-L338 HydrophobicContact CD1-CD2 4.1Å; L322-L338 HydrophobicContact CD2-CD2 4.39Å; L322-F343 HydrophobicContact CD2-CZ 4.04Å; L322-F343 HydrophobicContact CG-CE1 4.04Å; L322-F343 HydrophobicContact CG-CZ 3.9Å; L322-P347 HydrophobicContact CB-CB 4.47Å; L322-P347 HydrophobicContact CD1-CB 4Å; L322-P347 HydrophobicContact CG-CB 4.33Å
323	P	93.8	Very high	94.7	Very high	16 Å²	16	42.7 Å²	42.7	10%	0.104	24%	0.24	C	C	.	.			trans	-54.5	135.9	170	-27.6	35.2	0	0	0	112.9	I299 R301 L326	I299-P323 WeakPolarHBondContact O-CG 3.38Å; R301-P323 HydrophobicContact CB-CB 4.3Å; R301-P323 HydrophobicContact CG-CB 4.03Å; R301-P323 HydrophobicContact CG-CG 4.35Å; P323-L326 HydrophobicContact CB-CB 4.17Å; P323-L326 HydrophobicContact CG-CD2 4.44Å; P323-L326 VanDerWaalsContact O-CB 3.27Å; P323-L326 WeakPolarHBondContact O-CB 3.41Å; P323-L326 PolarHBondContact O-N 2.96Å
324	E	88.3	Confident	94.6	Very high	152 Å²	152	45.7 Å²	45.7	71%	0.71	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	145.6	167.7	-163.6	170.8	-143	0	0	110.1	L322 L326	L322-E324 PolarHBondContact O-N 3.39Å; E324-L326 PolarHBondContact O-N 3.25Å; E324-L326 VanDerWaalsContact O-N 3.11Å
325	S	88.4	Confident	94.6	Very high	57 Å²	57	47.1 Å²	47.1	40%	0.399	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-9	-171.6	76.1	0	0	0	0	118.3	L327 S328 S329	S325-L327 PolarHBondContact O-N 3.16Å; S325-S328 PolarHBondContact O-N 3.22Å; S325-S328 PolarHBondContact O-OG 2.89Å; S325-S329 WeakPolarHBondContact O-CB 3.34Å; S325-S329 PolarHBondContact O-N 3.13Å; S325-S329 PolarHBondContact O-OG 2.93Å
326	L	94.1	Very high	94.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-54.7	-56.7	180	175.4	61	0	0	0	111.2	I299 L303 P323 E324 S328 S329 L330	I299-L326 HydrophobicContact CG2-CD2 4.1Å; L303-L326 HydrophobicContact CB-CD1 4.02Å; L303-L326 HydrophobicContact CD2-CD1 4.4Å; L303-L326 HydrophobicContact CG-CD1 4.24Å; P323-L326 HydrophobicContact CB-CB 4.17Å; P323-L326 HydrophobicContact CG-CD2 4.44Å; P323-L326 VanDerWaalsContact O-CB 3.27Å; P323-L326 WeakPolarHBondContact O-CB 3.41Å; P323-L326 PolarHBondContact O-N 2.96Å; E324-L326 PolarHBondContact O-N 3.25Å; E324-L326 VanDerWaalsContact O-N 3.11Å; L326-S328 VanDerWaalsContact C-N 3.35Å; L326-S328 PolarHBondContact O-N 3.21Å; L326-S329 PolarHBondContact O-N 2.96Å; L326-L330 HydrophobicContact CD1-CD1 3.99Å; L326-L330 HydrophobicContact CD1-CG 4.32Å; L326-L330 HydrophobicContact CG-CD1 4.38Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 3.34Å
327	L	93.6	Very high	94.5	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-28.7	-174.5	-63.4	-176.9	0	0	0	113.9	L322 S325 L333 L336 P347 Q353 F354	L322-L327 HydrophobicContact CD1-CD1 3.99Å; L322-L327 HydrophobicContact CD1-CD2 4.04Å; L322-L327 HydrophobicContact CD1-CG 4.11Å; S325-L327 PolarHBondContact O-N 3.16Å; L327-L333 HydrophobicContact CD2-CD2 4.32Å; L327-L336 HydrophobicContact CD1-CD2 4.09Å; L327-L336 HydrophobicContact CD2-CD1 4.37Å; L327-L336 HydrophobicContact CD2-CD2 3.65Å; L327-P347 HydrophobicContact CD1-CB 4.29Å; L327-P347 HydrophobicContact CD1-CG 4.4Å; L327-Q353 HydrophobicContact CB-CB 3.63Å; L327-Q353 HydrophobicContact CD1-CB 4.39Å; L327-F354 HydrophobicContact CD1-CE1 3.92Å; L327-F354 HydrophobicContact CD1-CZ 4.47Å
328	S	92.8	Very high	94.4	Very high	36 Å²	36	43 Å²	43	25%	0.252	25%	0.245	S	C	.	.	H	α-helix	trans	-81.4	-16.8	174.7	51.2	0	0	0	0	113.9	S325 L326 G349	S325-S328 PolarHBondContact O-N 3.22Å; S325-S328 PolarHBondContact O-OG 2.89Å; L326-S328 VanDerWaalsContact C-N 3.35Å; L326-S328 PolarHBondContact O-N 3.21Å; S328-G349 WeakPolarHBondContact CB-O 3.34Å; S328-G349 PolarHBondContact OG-O 3.21Å
329	S	93.1	Very high	94.5	Very high	41 Å²	41	39.2 Å²	39.2	29%	0.287	23%	0.225	S	C	.	.	H	α-helix	trans	-85	-25.2	177.3	-56.2	0	0	0	0	112.7	S304 S325 L326 V331	S304-S329 WeakPolarHBondContact O-CB 3.23Å; S325-S329 WeakPolarHBondContact O-CB 3.34Å; S325-S329 PolarHBondContact O-N 3.13Å; S325-S329 PolarHBondContact O-OG 2.93Å; L326-S329 PolarHBondContact O-N 2.96Å; S329-V331 VanDerWaalsContact C-N 3.27Å; S329-V331 PolarHBondContact O-N 3.36Å
330	L	93.6	Very high	94.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.245	C	C	.	.			trans	-82.4	67.6	-178.4	-61	-179.2	0	0	0	111.7	C306 L309 L312 L326 K332 L333	C306-L330 VanDerWaalsContact O-CD2 3.31Å; C306-L330 WeakPolarHBondContact O-CD2 3.36Å; L309-L330 HydrophobicContact CB-CD2 4.4Å; L309-L330 HydrophobicContact CD1-CD1 4.27Å; L309-L330 HydrophobicContact CD1-CD2 4.05Å; L312-L330 HydrophobicContact CD2-CD1 4.14Å; L326-L330 HydrophobicContact CD1-CD1 3.99Å; L326-L330 HydrophobicContact CD1-CG 4.32Å; L326-L330 HydrophobicContact CG-CD1 4.38Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 3.34Å; L330-K332 PolarHBondContact O-N 2.8Å; L330-L333 HydrophobicContact CB-CB 3.92Å; L330-L333 HydrophobicContact CB-CD2 4.28Å; L330-L333 HydrophobicContact CD1-CD2 4.17Å; L330-L333 WeakPolarHBondContact O-CB 3.14Å; L330-L333 PolarHBondContact O-N 2.9Å
331	V	92	Very high	94.6	Very high	97 Å²	97	42.2 Å²	42.2	59%	0.588	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-1.5	-173.2	-61	0	0	0	0	116.3	S329	S329-V331 VanDerWaalsContact C-N 3.27Å; S329-V331 PolarHBondContact O-N 3.36Å
332	K	94.2	Very high	94.7	Very high	112 Å²	112	39.2 Å²	39.2	49%	0.487	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	0.2	172.1	-68.4	-167.7	-178	-177.5	0	113.7	L309 E310 L330 N334	L309-K332 CarbonylContact O-C 3.58Å; E310-K332 WeakPolarHBondContact CA-O 3.39Å; L330-K332 PolarHBondContact O-N 2.8Å; K332-N334 PolarHBondContact O-N 2.68Å; K332-N334 VanDerWaalsContact O-N 3.16Å; K332-N334 PolarHBondContact O-OD1 3.25Å
333	L	94.1	Very high	94.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.			trans	-71.4	111.2	-174.1	-173.7	65.8	0	0	0	110.4	L309 L312 L327 L330 S335 L336 T356 I357	L309-L333 PolarHBondContact O-N 3.17Å; L312-L333 HydrophobicContact CB-CD1 3.68Å; L312-L333 HydrophobicContact CB-CD2 4.46Å; L327-L333 HydrophobicContact CD2-CD2 4.32Å; L330-L333 HydrophobicContact CB-CB 3.92Å; L330-L333 HydrophobicContact CB-CD2 4.28Å; L330-L333 HydrophobicContact CD1-CD2 4.17Å; L330-L333 WeakPolarHBondContact O-CB 3.14Å; L330-L333 PolarHBondContact O-N 2.9Å; L333-S335 VanDerWaalsContact CD1-O 3.29Å; L333-S335 WeakPolarHBondContact CD1-O 3.38Å; L333-L336 HydrophobicContact CD2-CB 4.34Å; L333-L336 HydrophobicContact CD2-CD1 4.46Å; L333-T356 CarbonylContact O-C 3.47Å; L333-T356 WeakPolarHBondContact O-CB 3.35Å; L333-T356 PolarHBondContact O-OG1 2.69Å; L333-I357 HydrophobicContact CD2-CD1 3.92Å; L333-I357 HydrophobicContact CG-CD1 4.3Å
334	N	94.8	Very high	94.9	Very high	89 Å²	89	43.5 Å²	43.5	48%	0.476	23%	0.229	S	C	.	.			trans	-100.7	-29	-179	-64.3	-29.3	0	0	0	112.1	E310 K332 Y358 S359	E310-N334 PolarHBondContact O-N 3.37Å; K332-N334 PolarHBondContact O-N 2.68Å; K332-N334 VanDerWaalsContact O-N 3.16Å; K332-N334 PolarHBondContact O-OD1 3.25Å; N334-Y358 PolarHBondContact O-N 2.95Å; N334-S359 PolarHBondContact O-N 3.47Å
335	S	95.8	Very high	95.3	Very high	30 Å²	30	42.1 Å²	42.1	21%	0.21	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.4	-178.1	-177.2	0	0	0	0	111	E311 L312 L333	E311-S335 WeakPolarHBondContact CA-O 3.45Å; L312-S335 PolarHBondContact N-O 3Å; L312-S335 VanDerWaalsContact N-O 3.08Å; L333-S335 VanDerWaalsContact CD1-O 3.29Å; L333-S335 WeakPolarHBondContact CD1-O 3.38Å
336	L	96.7	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	116.9	180	175.3	59.5	0	0	0	110.3	L312 L327 L333 L338 F354 I357 S359 L360 N361	L312-L336 HydrophobicContact CB-CD1 4.06Å; L312-L336 HydrophobicContact CD2-CD1 4.09Å; L312-L336 HydrophobicContact CG-CD1 4.15Å; L312-L336 WeakPolarHBondContact O-CA 3.14Å; L327-L336 HydrophobicContact CD1-CD2 4.09Å; L327-L336 HydrophobicContact CD2-CD1 4.37Å; L327-L336 HydrophobicContact CD2-CD2 3.65Å; L333-L336 HydrophobicContact CD2-CB 4.34Å; L333-L336 HydrophobicContact CD2-CD1 4.46Å; L336-L338 HydrophobicContact CD1-CD1 4.26Å; L336-L338 HydrophobicContact CD1-CD2 3.88Å; L336-L338 HydrophobicContact CD1-CG 3.87Å; L336-L338 HydrophobicContact CD2-CD1 4.08Å; L336-L338 HydrophobicContact CD2-CG 4.5Å; L336-L338 HydrophobicContact CG-CD1 4.12Å; L336-L338 HydrophobicContact CG-CG 4Å; L336-F354 HydrophobicContact CD2-CE1 4.2Å; L336-I357 HydrophobicContact CB-CD1 3.74Å; L336-I357 HydrophobicContact CB-CG2 4.4Å; L336-I357 HydrophobicContact CD2-CD1 3.62Å; L336-I357 HydrophobicContact CG-CD1 4.35Å; L336-S359 PolarHBondContact N-O 3.26Å; L336-L360 HydrophobicContact CB-CD1 4.08Å; L336-L360 HydrophobicContact CD2-CD1 3.86Å; L336-L360 HydrophobicContact CG-CD1 3.87Å; L336-L360 WeakPolarHBondContact O-CA 3.45Å; L336-N361 PolarHBondContact O-N 3.14Å
337	T	97.8	Very high	95.5	Very high	15 Å²	15	40.2 Å²	40.2	9%	0.092	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.7	175	-60.3	0	0	0	0	110.1	L312 L314 E315 A339 N361	L312-T337 PolarHBondContact O-N 3.37Å; L314-T337 PolarHBondContact N-O 3.36Å; E315-T337 HydrophobicContact CB-CG2 3.98Å; T337-A339 HydrophobicContact CG2-CB 4.02Å; T337-N361 HydrophobicContact CG2-CB 4.25Å
338	L	97.8	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.			trans	-118.8	16.2	176.8	-59.9	175.7	0	0	0	111.3	L314 L322 L336 N341 F343 P347 N361 M362 N365	L314-L338 HydrophobicContact CB-CD2 4.17Å; L314-L338 HydrophobicContact CD1-CD2 3.75Å; L314-L338 HydrophobicContact CG-CD2 4.27Å; L322-L338 HydrophobicContact CD1-CD1 3.89Å; L322-L338 HydrophobicContact CD1-CD2 4.1Å; L322-L338 HydrophobicContact CD2-CD2 4.39Å; L336-L338 HydrophobicContact CD1-CD1 4.26Å; L336-L338 HydrophobicContact CD1-CD2 3.88Å; L336-L338 HydrophobicContact CD1-CG 3.87Å; L336-L338 HydrophobicContact CD2-CD1 4.08Å; L336-L338 HydrophobicContact CD2-CG 4.5Å; L336-L338 HydrophobicContact CG-CD1 4.12Å; L336-L338 HydrophobicContact CG-CG 4Å; L338-N341 PolarHBondContact O-ND2 3.48Å; L338-F343 HydrophobicContact CB-CD2 4.42Å; L338-F343 HydrophobicContact CB-CE2 3.92Å; L338-F343 HydrophobicContact CD1-CE2 4.47Å; L338-F343 HydrophobicContact CD1-CZ 4.39Å; L338-F343 HydrophobicContact CD2-CE2 4.25Å; L338-F343 HydrophobicContact CD2-CZ 4.28Å; L338-F343 HydrophobicContact CG-CE2 4.44Å; L338-P347 HydrophobicContact CD1-CG 4.09Å; L338-N361 PolarHBondContact N-O 3.14Å; L338-M362 HydrophobicContact CB-CE 4.13Å; L338-M362 HydrophobicContact CB-CG 4.28Å; L338-M362 HydrophobicContact CD1-CE 3.75Å; L338-M362 HydrophobicContact CD1-SD 4.42Å; L338-N365 PolarHBondContact O-ND2 2.83Å
339	A	98.3	Very high	94.5	Very high	3 Å²	3	42.7 Å²	42.7	3%	0.025	23%	0.225	C	C	.	.			trans	-63.2	157.8	-177.8	0	0	0	0	0	112.5	E315 N316 T337 N341 N361 E363	E315-A339 VanDerWaalsContact CA-O 3.28Å; E315-A339 WeakPolarHBondContact CA-O 3.26Å; E315-A339 HydrophobicContact CG-CB 4.33Å; N316-A339 PolarHBondContact N-O 3.24Å; N316-A339 VanDerWaalsContact N-O 3.12Å; T337-A339 HydrophobicContact CG2-CB 4.02Å; A339-N341 PolarHBondContact O-N 3.05Å; A339-N341 PolarHBondContact O-ND2 2.99Å; A339-N361 PolarHBondContact N-O 3.08Å; A339-E363 CarbonylContact C-O 3.53Å; A339-E363 WeakPolarHBondContact CA-O 3.36Å; A339-E363 HydrophobicContact CB-CB 4.21Å; A339-E363 WeakPolarHBondContact CB-O 3.21Å
340	R	98.4	Very high	94.2	Very high	110 Å²	110	42.3 Å²	42.3	42%	0.415	23%	0.227	S	C	.	.	S	Bend	trans	53	57.1	177.4	-61	170.6	178.9	-101	-8.4	112.3	E315 N316 N317 E363 H364	E315-R340 HydrophobicContact CG-CB 4.42Å; E315-R340 IonicContact OE1-NE 3.84Å; N316-R340 WeakPolarHBondContact CA-O 3.13Å; N316-R340 HydrophobicContact CB-CB 4.06Å; N316-R340 PolarHBondContact N-O 2.91Å; N317-R340 PolarHBondContact N-O 3.19Å; R340-E363 PolarHBondContact N-O 3Å; R340-H364 WeakPolarHBondContact CA-O 3.4Å; R340-H364 HydrophobicContact CB-CB 4.49Å; R340-H364 HydrophobicContact CG-CB 3.81Å; R340-H364 PolarHBondContact N-O 3.39Å
341	N	98.4	Very high	93.7	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.053	26%	0.259	C	S	.	.	S	Bend	trans	-134.9	-169.4	-178.5	-90.7	-81.4	0	0	0	110.7	L314 N317 I319 L338 A339 F343 H364 N365	L314-N341 PolarHBondContact O-ND2 2.88Å; N317-N341 VanDerWaalsContact CB-OD1 3.27Å; N317-N341 WeakPolarHBondContact CB-OD1 3.45Å; N317-N341 PolarHBondContact O-OD1 3.04Å; I319-N341 VanDerWaalsContact CB-OD1 3.3Å; I319-N341 WeakPolarHBondContact CB-OD1 3.45Å; I319-N341 PolarHBondContact N-OD1 3.45Å; L338-N341 PolarHBondContact O-ND2 3.48Å; A339-N341 PolarHBondContact O-N 3.05Å; A339-N341 PolarHBondContact O-ND2 2.99Å; N341-F343 HydrophobicContact CB-CD2 3.67Å; N341-F343 HydrophobicContact CB-CE2 3.81Å; N341-H364 PolarHBondContact N-O 2.97Å; N341-N365 WeakPolarHBondContact CA-OD1 3.34Å; N341-N365 WeakPolarHBondContact CB-OD1 3.32Å; N341-N365 PolarHBondContact N-OD1 2.95Å; N341-N365 PolarHBondContact O-OD1 3.03Å; N341-N365 VanDerWaalsContact O-OD1 3.11Å
342	C	97.6	Very high	93.6	Very high	31 Å²	31	45 Å²	45	21%	0.209	25%	0.248	C	C	.	.			trans	-106	20.8	-176.3	-66.9	0	0	0	0	113.1	I319 Q344	I319-C342 CarbonylContact O-C 3.54Å; I319-C342 WeakPolarHBondContact O-CA 3.5Å; I319-C342 WeakPolarHBondContact O-CB 3.47Å; I319-C342 PolarHBondContact O-N 3.4Å; C342-Q344 PolarHBondContact O-N 3.11Å
343	F	97.8	Very high	93.5	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	23%	0.225	C	C	.	.			trans	-66.4	116.3	-177.9	-70.5	-80.1	0	0	0	111.1	I319 S320 L322 L338 N341 M362 N365 R366 I367	I319-F343 HydrophobicContact CB-CE2 4.35Å; I319-F343 HydrophobicContact CB-CZ 4.28Å; I319-F343 HydrophobicContact CG2-CE1 4.26Å; I319-F343 HydrophobicContact CG2-CE2 4.18Å; I319-F343 HydrophobicContact CG2-CZ 3.62Å; S320-F343 VanDerWaalsContact O-CD1 3.28Å; S320-F343 WeakPolarHBondContact O-CD1 3.15Å; L322-F343 HydrophobicContact CD2-CZ 4.04Å; L322-F343 HydrophobicContact CG-CE1 4.04Å; L322-F343 HydrophobicContact CG-CZ 3.9Å; L338-F343 HydrophobicContact CB-CD2 4.42Å; L338-F343 HydrophobicContact CB-CE2 3.92Å; L338-F343 HydrophobicContact CD1-CE2 4.47Å; L338-F343 HydrophobicContact CD1-CZ 4.39Å; L338-F343 HydrophobicContact CD2-CE2 4.25Å; L338-F343 HydrophobicContact CD2-CZ 4.28Å; L338-F343 HydrophobicContact CG-CE2 4.44Å; N341-F343 HydrophobicContact CB-CD2 3.67Å; N341-F343 HydrophobicContact CB-CE2 3.81Å; F343-M362 HydrophobicContact CD2-CE 4.43Å; F343-M362 HydrophobicContact CG-CE 4.37Å; F343-N365 HydrophobicContact CB-CB 4.36Å; F343-N365 WeakPolarHBondContact CB-OD1 3.44Å; F343-N365 WeakPolarHBondContact CD2-OD1 3.25Å; F343-N365 PolarHBondContact N-OD1 3.07Å; F343-N365 VanDerWaalsContact N-OD1 3.12Å; F343-R366 CarbonylContact O-C 3.21Å; F343-R366 VanDerWaalsContact O-CA 3.28Å; F343-R366 WeakPolarHBondContact O-CA 3.44Å; F343-R366 PolarHBondContact O-N 3.3Å; F343-I367 HydrophobicContact CB-CD1 4.08Å; F343-I367 HydrophobicContact CB-CG1 4Å; F343-I367 WeakPolarHBondContact O-CG1 3.42Å; F343-I367 PolarHBondContact O-N 3.15Å
344	Q	96.3	Very high	93.5	Very high	122 Å²	122	40 Å²	40	57%	0.57	23%	0.226	S	C	*	.	S	Bend	trans	-94.3	-24.9	172.4	-63.3	177.7	36.9	0	0	112.2	C342 R366	C342-Q344 PolarHBondContact O-N 3.11Å; Q344-R366 WeakPolarHBondContact CA-O 3.15Å; Q344-R366 HydrophobicContact CG-CB 4.16Å
345	L	95.4	Very high	93.5	Very high	124 Å²	124	38 Å²	38	65%	0.649	22%	0.219	S	C	*	.	S	Bend	trans	-125.5	155.4	178.1	-63	176.5	0	0	0	108.9
346	Y	94.1	Very high	93.4	Very high	11 Å²	11	38.3 Å²	38.3	4%	0.043	22%	0.22	C	C	.	.			trans	-63.2	137.8	172.8	-133.2	-87.6	0	0	0	110.7	F354 L360 M362 I367 I370 P371 I374 F375 M386	Y346-F354 HydrophobicContact CD1-CE2 4.24Å; Y346-F354 HydrophobicContact CD1-CZ 4.29Å; Y346-F354 AromaticContact CE1-CE2 3.65Å; Y346-F354 HydrophobicContact CE1-CE2 3.65Å; Y346-F354 AromaticContact CE1-CZ 3.71Å; Y346-F354 HydrophobicContact CE1-CZ 3.71Å; Y346-L360 HydrophobicContact CE1-CD2 4.37Å; Y346-L360 WeakPolarHBondContact OH-CD2 3.17Å; Y346-M362 HydrophobicContact CE1-SD 3.89Å; Y346-M362 HydrophobicContact CE2-SD 4.01Å; Y346-M362 VanDerWaalsContact CZ-SD 3.56Å; Y346-I367 HydrophobicContact CD2-CD1 4.39Å; Y346-I367 HydrophobicContact CD2-CG2 3.96Å; Y346-I370 HydrophobicContact CD2-CB 4.45Å; Y346-I370 HydrophobicContact CD2-CG1 4.21Å; Y346-I370 HydrophobicContact CD2-CG2 4.38Å; Y346-I370 HydrophobicContact CE2-CB 4.43Å; Y346-I370 HydrophobicContact CE2-CG1 3.9Å; Y346-I370 HydrophobicContact CE2-CG2 4.19Å; Y346-P371 VanDerWaalsContact CB-CD 3.42Å; Y346-P371 HydrophobicContact CG-CG 4.31Å; Y346-I374 HydrophobicContact CD1-CG1 4.08Å; Y346-I374 HydrophobicContact CE1-CG1 4.46Å; Y346-F375 HydrophobicContact CE1-CZ 4.32Å; Y346-F375 WeakPolarHBondContact OH-CZ 3.23Å; Y346-M386 HydrophobicContact CD2-CE 4.42Å; Y346-M386 HydrophobicContact CE2-CE 3.68Å; Y346-M386 HydrophobicContact CE2-SD 3.72Å; Y346-M386 PolarHBondContact OH-SD 3.22Å
347	P	92.6	Very high	93.4	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.039	22%	0.22	C	C	.	.			trans	-62.4	140.6	176.7	25.3	-35.5	0	0	0	111.7	L322 L327 L338 Q353 M362	L322-P347 HydrophobicContact CB-CB 4.47Å; L322-P347 HydrophobicContact CD1-CB 4Å; L322-P347 HydrophobicContact CG-CB 4.33Å; L327-P347 HydrophobicContact CD1-CB 4.29Å; L327-P347 HydrophobicContact CD1-CG 4.4Å; L338-P347 HydrophobicContact CD1-CG 4.09Å; P347-Q353 PolarHBondContact O-NE2 2.65Å; P347-Q353 VanDerWaalsContact O-NE2 3.13Å; P347-Q353 PolarHBondContact O-OE1 3.08Å; P347-M362 VanDerWaalsContact CD-CE 3.41Å; P347-M362 HydrophobicContact CG-CE 3.87Å; P347-M362 HydrophobicContact CG-SD 4.41Å
348	V	84.9	Confident	93.4	Very high	92 Å²	92	43.1 Å²	43.1	56%	0.558	24%	0.237	S	C	*	.			trans	-116.7	118.8	177.6	-173.8	0	0	0	0	109
349	G	80.6	Confident	93.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.01	25%	0.246	C	C	.	.			trans	-137.6	16.7	-173	0	0	0	0	0	112.7	S328 Q353	S328-G349 WeakPolarHBondContact CB-O 3.34Å; S328-G349 PolarHBondContact OG-O 3.21Å; G349-Q353 VanDerWaalsContact CA-OE1 3.29Å
350	G	86.3	Confident	93.4	Very high	32 Å²	32	44.2 Å²	44.2	33%	0.33	25%	0.245	S	C	.	.			trans	89.2	174.5	179.8	0	0	0	0	0	114.5	S352 Q353	G350-S352 VanDerWaalsContact C-N 3.26Å; G350-S352 PolarHBondContact O-N 2.8Å; G350-S352 VanDerWaalsContact O-N 3.12Å; G350-Q353 WeakPolarHBondContact O-CB 3.08Å; G350-Q353 WeakPolarHBondContact O-CG 3.38Å; G350-Q353 PolarHBondContact O-N 2.92Å
351	P	84.5	Confident	93.4	Very high	104 Å²	104	40.7 Å²	40.7	68%	0.675	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.2	-166.9	-26.7	35.5	0	0	0	115.5	R377	P351-R377 WeakPolarHBondContact O-CD 3.43Å
352	S	89.2	Confident	93.4	Very high	50 Å²	50	40.2 Å²	40.2	35%	0.35	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	7	-176	-52.1	0	0	0	0	114	G350 F354 S355	G350-S352 VanDerWaalsContact C-N 3.26Å; G350-S352 PolarHBondContact O-N 2.8Å; G350-S352 VanDerWaalsContact O-N 3.12Å; S352-F354 PolarHBondContact O-N 3.06Å; S352-S355 PolarHBondContact O-N 3.27Å; S352-S355 PolarHBondContact O-OG 2.96Å
353	Q	92.6	Very high	93.4	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.7	-167.6	66.7	170.7	16.6	0	0	116.2	L327 P347 G349 G350 I374	L327-Q353 HydrophobicContact CB-CB 3.63Å; L327-Q353 HydrophobicContact CD1-CB 4.39Å; P347-Q353 PolarHBondContact O-NE2 2.65Å; P347-Q353 VanDerWaalsContact O-NE2 3.13Å; P347-Q353 PolarHBondContact O-OE1 3.08Å; G349-Q353 VanDerWaalsContact CA-OE1 3.29Å; G350-Q353 WeakPolarHBondContact O-CB 3.08Å; G350-Q353 WeakPolarHBondContact O-CG 3.38Å; G350-Q353 PolarHBondContact O-N 2.92Å; Q353-I374 VanDerWaalsContact NE2-CD1 3.26Å
354	F	94.3	Very high	93.4	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.018	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	13.8	-179.2	-59.1	-38.1	0	0	0	113.1	L327 L336 Y346 S352 T356 I357 L360 I374 F375 A378	L327-F354 HydrophobicContact CD1-CE1 3.92Å; L327-F354 HydrophobicContact CD1-CZ 4.47Å; L336-F354 HydrophobicContact CD2-CE1 4.2Å; Y346-F354 HydrophobicContact CD1-CE2 4.24Å; Y346-F354 HydrophobicContact CD1-CZ 4.29Å; Y346-F354 AromaticContact CE1-CE2 3.65Å; Y346-F354 HydrophobicContact CE1-CE2 3.65Å; Y346-F354 AromaticContact CE1-CZ 3.71Å; Y346-F354 HydrophobicContact CE1-CZ 3.71Å; S352-F354 PolarHBondContact O-N 3.06Å; F354-T356 PolarHBondContact O-N 3.13Å; F354-I357 HydrophobicContact CD1-CD1 3.72Å; F354-I357 HydrophobicContact CD1-CG1 4.4Å; F354-I357 HydrophobicContact CE1-CD1 4.29Å; F354-I357 PolarHBondContact O-N 3.16Å; F354-L360 HydrophobicContact CD1-CD2 4.41Å; F354-L360 HydrophobicContact CE1-CD2 3.94Å; F354-L360 HydrophobicContact CE2-CD2 4.21Å; F354-L360 HydrophobicContact CZ-CD2 3.83Å; F354-I374 HydrophobicContact CD2-CG1 4.44Å; F354-I374 HydrophobicContact CE2-CG1 3.93Å; F354-F375 HydrophobicContact CB-CD1 4.37Å; F354-F375 AromaticContact CD2-CD1 3.46Å; F354-F375 HydrophobicContact CD2-CD1 3.46Å; F354-F375 VanDerWaalsContact CD2-CD1 3.46Å; F354-F375 AromaticContact CD2-CE1 3.39Å; F354-F375 HydrophobicContact CD2-CE1 3.39Å; F354-F375 HydrophobicContact CE2-CD1 4.07Å; F354-F375 AromaticContact CE2-CE1 3.59Å; F354-F375 HydrophobicContact CE2-CE1 3.59Å; F354-F375 HydrophobicContact CE2-CZ 4.45Å; F354-F375 HydrophobicContact CG-CD1 4.22Å; F354-F375 HydrophobicContact CG-CE1 4.18Å; F354-A378 HydrophobicContact CB-CB 3.78Å; F354-A378 WeakPolarHBondContact O-CA 3.38Å; F354-A378 WeakPolarHBondContact O-CB 3.29Å
355	S	93.9	Very high	93.6	Very high	47 Å²	47	39.6 Å²	39.6	33%	0.329	23%	0.226	S	C	.	.	S	Bend	trans	-68.3	-20.3	-174.4	56.6	0	0	0	0	114.8	S352 R377	S352-S355 PolarHBondContact O-N 3.27Å; S352-S355 PolarHBondContact O-OG 2.96Å; S355-R377 WeakPolarHBondContact CA-O 3.37Å
356	T	94.5	Very high	93.7	Very high	38 Å²	38	39.9 Å²	39.9	23%	0.233	22%	0.218	C	C	.	.	S	Bend	trans	-110.4	-12.5	179.6	56.1	0	0	0	0	113.2	L333 F354 Y358	L333-T356 CarbonylContact O-C 3.47Å; L333-T356 WeakPolarHBondContact O-CB 3.35Å; L333-T356 PolarHBondContact O-OG1 2.69Å; F354-T356 PolarHBondContact O-N 3.13Å; T356-Y358 PolarHBondContact O-N 2.98Å
357	I	96	Very high	93.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.216	C	C	.	.			trans	-78.4	119	-171	-55.6	-162.3	0	0	0	109.7	L333 L336 F354 S359 L360 L381	L333-I357 HydrophobicContact CD2-CD1 3.92Å; L333-I357 HydrophobicContact CG-CD1 4.3Å; L336-I357 HydrophobicContact CB-CD1 3.74Å; L336-I357 HydrophobicContact CB-CG2 4.4Å; L336-I357 HydrophobicContact CD2-CD1 3.62Å; L336-I357 HydrophobicContact CG-CD1 4.35Å; F354-I357 HydrophobicContact CD1-CD1 3.72Å; F354-I357 HydrophobicContact CD1-CG1 4.4Å; F354-I357 HydrophobicContact CE1-CD1 4.29Å; F354-I357 PolarHBondContact O-N 3.16Å; I357-S359 VanDerWaalsContact CG2-O 3.23Å; I357-S359 WeakPolarHBondContact CG2-O 3.39Å; I357-L360 HydrophobicContact CG2-CB 4.31Å; I357-L381 HydrophobicContact CG2-CD1 4.34Å; I357-L381 VanDerWaalsContact O-CA 3.23Å; I357-L381 WeakPolarHBondContact O-CA 3.47Å; I357-L381 PolarHBondContact O-N 3.21Å
358	Y	97.4	Very high	94.1	Very high	115 Å²	115	42.6 Å²	42.6	45%	0.451	23%	0.233	S	C	.	.	S	Bend	trans	-84.1	-37.3	173.8	177.4	-98.2	0	0	0	112.1	N334 T356 V380 S382 K383	N334-Y358 PolarHBondContact O-N 2.95Å; T356-Y358 PolarHBondContact O-N 2.98Å; Y358-V380 WeakPolarHBondContact CA-O 3.2Å; Y358-V380 WeakPolarHBondContact CD2-O 3.34Å; Y358-S382 VanDerWaalsContact CE2-CB 3.42Å; Y358-S382 WeakPolarHBondContact CE2-OG 3.45Å; Y358-S382 PolarHBondContact O-N 2.72Å; Y358-K383 HydrophobicContact CE1-CG 4.39Å; Y358-K383 PolarHBondContact O-N 2.93Å
359	S	98	Very high	94.6	Very high	25 Å²	25	43.9 Å²	43.9	18%	0.175	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	122.3	-177	-176.9	0	0	0	0	111.7	N334 L336 I357	N334-S359 PolarHBondContact O-N 3.47Å; L336-S359 PolarHBondContact N-O 3.26Å; I357-S359 VanDerWaalsContact CG2-O 3.23Å; I357-S359 WeakPolarHBondContact CG2-O 3.39Å
360	L	98.1	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.4	176.1	178.7	55	0	0	0	110.3	L336 Y346 F354 I357 M362 F375 L381 K383 L384 N385	L336-L360 HydrophobicContact CB-CD1 4.08Å; L336-L360 HydrophobicContact CD2-CD1 3.86Å; L336-L360 HydrophobicContact CG-CD1 3.87Å; L336-L360 WeakPolarHBondContact O-CA 3.45Å; Y346-L360 HydrophobicContact CE1-CD2 4.37Å; Y346-L360 WeakPolarHBondContact OH-CD2 3.17Å; F354-L360 HydrophobicContact CD1-CD2 4.41Å; F354-L360 HydrophobicContact CE1-CD2 3.94Å; F354-L360 HydrophobicContact CE2-CD2 4.21Å; F354-L360 HydrophobicContact CZ-CD2 3.83Å; I357-L360 HydrophobicContact CG2-CB 4.31Å; L360-M362 HydrophobicContact CD1-CG 3.88Å; L360-M362 HydrophobicContact CD1-SD 4.29Å; L360-M362 HydrophobicContact CD2-SD 4.44Å; L360-M362 HydrophobicContact CG-CG 4.09Å; L360-M362 HydrophobicContact CG-SD 4.49Å; L360-F375 HydrophobicContact CD2-CE1 3.89Å; L360-F375 HydrophobicContact CD2-CZ 4.12Å; L360-L381 HydrophobicContact CB-CD1 3.95Å; L360-K383 PolarHBondContact N-O 3.24Å; L360-L384 HydrophobicContact CB-CD1 4.11Å; L360-L384 HydrophobicContact CD2-CD1 3.99Å; L360-L384 HydrophobicContact CG-CD1 3.99Å; L360-L384 WeakPolarHBondContact O-CA 3.38Å; L360-N385 PolarHBondContact O-N 3.11Å
361	N	98.6	Very high	95.8	Very high	37 Å²	37	44.5 Å²	44.5	20%	0.198	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.7	174.3	-176.5	0.6	0	0	0	110.6	L336 T337 L338 A339 E363 N385	L336-N361 PolarHBondContact O-N 3.14Å; T337-N361 HydrophobicContact CG2-CB 4.25Å; L338-N361 PolarHBondContact N-O 3.14Å; A339-N361 PolarHBondContact N-O 3.08Å; N361-E363 WeakPolarHBondContact OD1-CB 3.38Å; N361-E363 PolarHBondContact OD1-N 2.59Å; N361-N385 HydrophobicContact CB-CB 4.36Å; N361-N385 PolarHBondContact OD1-ND2 3.42Å
362	M	97.9	Very high	96.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.			trans	-128.5	25.2	176	-54.6	-163.4	71.6	0	0	112.2	L338 F343 Y346 P347 L360 N365 I367 N385 M386 N389	L338-M362 HydrophobicContact CB-CE 4.13Å; L338-M362 HydrophobicContact CB-CG 4.28Å; L338-M362 HydrophobicContact CD1-CE 3.75Å; L338-M362 HydrophobicContact CD1-SD 4.42Å; F343-M362 HydrophobicContact CD2-CE 4.43Å; F343-M362 HydrophobicContact CG-CE 4.37Å; Y346-M362 HydrophobicContact CE1-SD 3.89Å; Y346-M362 HydrophobicContact CE2-SD 4.01Å; Y346-M362 VanDerWaalsContact CZ-SD 3.56Å; P347-M362 VanDerWaalsContact CD-CE 3.41Å; P347-M362 HydrophobicContact CG-CE 3.87Å; P347-M362 HydrophobicContact CG-SD 4.41Å; L360-M362 HydrophobicContact CD1-CG 3.88Å; L360-M362 HydrophobicContact CD1-SD 4.29Å; L360-M362 HydrophobicContact CD2-SD 4.44Å; L360-M362 HydrophobicContact CG-CG 4.09Å; L360-M362 HydrophobicContact CG-SD 4.49Å; M362-N365 PolarHBondContact O-ND2 2.86Å; M362-I367 HydrophobicContact CB-CD1 4.36Å; M362-I367 HydrophobicContact CE-CD1 3.5Å; M362-I367 VanDerWaalsContact CE-CD1 3.5Å; M362-I367 HydrophobicContact SD-CD1 4.09Å; M362-N385 PolarHBondContact N-O 2.96Å; M362-M386 HydrophobicContact CB-CE 4.4Å; M362-M386 HydrophobicContact CB-SD 3.79Å; M362-M386 HydrophobicContact CG-SD 4.2Å; M362-M386 HydrophobicContact SD-SD 4.29Å; M362-N389 PolarHBondContact O-ND2 3.12Å
363	E	98.4	Very high	96.5	Very high	41 Å²	41	45.1 Å²	45.1	19%	0.192	22%	0.221	C	C	.	.			trans	-55.6	150.7	179	174.5	171.6	-179.7	0	0	113.1	A339 R340 N361 N365 N385 K387 D388	A339-E363 CarbonylContact C-O 3.53Å; A339-E363 WeakPolarHBondContact CA-O 3.36Å; A339-E363 HydrophobicContact CB-CB 4.21Å; A339-E363 WeakPolarHBondContact CB-O 3.21Å; R340-E363 PolarHBondContact N-O 3Å; N361-E363 WeakPolarHBondContact OD1-CB 3.38Å; N361-E363 PolarHBondContact OD1-N 2.59Å; E363-N365 PolarHBondContact O-ND2 3.29Å; E363-N385 PolarHBondContact OE2-ND2 3.08Å; E363-K387 CarbonylContact C-O 3.42Å; E363-K387 WeakPolarHBondContact CA-O 3.48Å; E363-K387 HydrophobicContact CB-CB 4.33Å; E363-K387 HydrophobicContact CG-CB 3.89Å; E363-K387 HydrophobicContact CG-CG 4.15Å; E363-K387 WeakPolarHBondContact OE1-CD 3.43Å; E363-K387 IonicContact OE1-NZ 3.43Å; E363-K387 PolarHBondContact OE1-NZ 3.33Å; E363-D388 HydrophobicContact CG-CB 4.46Å
364	H	98.6	Very high	96.6	Very high	89 Å²	89	46.4 Å²	46.4	41%	0.412	23%	0.228	S	C	.	.	S	Bend	trans	56.8	62.3	176.5	-161.8	83.9	0	0	0	112.1	R340 N341 K387 D388	R340-H364 WeakPolarHBondContact CA-O 3.4Å; R340-H364 HydrophobicContact CB-CB 4.49Å; R340-H364 HydrophobicContact CG-CB 3.81Å; R340-H364 PolarHBondContact N-O 3.39Å; N341-H364 PolarHBondContact N-O 2.97Å; H364-K387 PolarHBondContact N-O 2.75Å; H364-D388 CarbonylContact C-O 3.53Å; H364-D388 WeakPolarHBondContact CA-O 3.5Å; H364-D388 HydrophobicContact CB-CB 4.47Å; H364-D388 IonicContact CE1-OD2 3.68Å; H364-D388 IonicContact CG-OD2 3.72Å; H364-D388 PolarHBondContact N-O 2.96Å; H364-D388 VanDerWaalsContact N-O 3.1Å; H364-D388 IonicContact ND1-OD2 3.87Å; H364-D388 PolarHBondContact ND1-OD2 2.73Å
365	N	98.6	Very high	96.6	Very high	11 Å²	11	46.8 Å²	46.8	6%	0.059	23%	0.229	C	C	.	.	S	Bend	trans	-134.5	-167.7	176.5	-86.6	-73.5	0	0	0	109.4	L338 N341 F343 M362 E363 I367 D388 N389	L338-N365 PolarHBondContact O-ND2 2.83Å; N341-N365 WeakPolarHBondContact CA-OD1 3.34Å; N341-N365 WeakPolarHBondContact CB-OD1 3.32Å; N341-N365 PolarHBondContact N-OD1 2.95Å; N341-N365 PolarHBondContact O-OD1 3.03Å; N341-N365 VanDerWaalsContact O-OD1 3.11Å; F343-N365 HydrophobicContact CB-CB 4.36Å; F343-N365 WeakPolarHBondContact CB-OD1 3.44Å; F343-N365 WeakPolarHBondContact CD2-OD1 3.25Å; F343-N365 PolarHBondContact N-OD1 3.07Å; F343-N365 VanDerWaalsContact N-OD1 3.12Å; M362-N365 PolarHBondContact O-ND2 2.86Å; E363-N365 PolarHBondContact O-ND2 3.29Å; N365-I367 HydrophobicContact CB-CD1 4.36Å; N365-I367 HydrophobicContact CB-CG1 4.24Å; N365-D388 PolarHBondContact N-O 2.97Å; N365-N389 VanDerWaalsContact C-OD1 3.25Å; N365-N389 WeakPolarHBondContact CB-OD1 3.19Å
366	R	98.1	Very high	96.5	Very high	129 Å²	129	48.5 Å²	48.5	49%	0.487	24%	0.241	S	C	.	.			trans	-121.4	26.4	-178.4	-56.4	-179.8	-169.9	168.5	4.9	111.5	F343 Q344 N368	F343-R366 CarbonylContact O-C 3.21Å; F343-R366 VanDerWaalsContact O-CA 3.28Å; F343-R366 WeakPolarHBondContact O-CA 3.44Å; F343-R366 PolarHBondContact O-N 3.3Å; Q344-R366 WeakPolarHBondContact CA-O 3.15Å; Q344-R366 HydrophobicContact CG-CB 4.16Å; R366-N368 PolarHBondContact O-N 3.01Å
367	I	98.2	Very high	96.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.256	C	S	.	.			trans	-74.7	120.7	-174.8	-59.7	172.1	0	0	0	108.6	F343 Y346 M362 N365 K369 M386 N389 Q390 L391	F343-I367 HydrophobicContact CB-CD1 4.08Å; F343-I367 HydrophobicContact CB-CG1 4Å; F343-I367 WeakPolarHBondContact O-CG1 3.42Å; F343-I367 PolarHBondContact O-N 3.15Å; Y346-I367 HydrophobicContact CD2-CD1 4.39Å; Y346-I367 HydrophobicContact CD2-CG2 3.96Å; M362-I367 HydrophobicContact CB-CD1 4.36Å; M362-I367 HydrophobicContact CE-CD1 3.5Å; M362-I367 VanDerWaalsContact CE-CD1 3.5Å; M362-I367 HydrophobicContact SD-CD1 4.09Å; N365-I367 HydrophobicContact CB-CD1 4.36Å; N365-I367 HydrophobicContact CB-CG1 4.24Å; I367-K369 WeakPolarHBondContact CG2-O 3.47Å; I367-M386 HydrophobicContact CB-CE 4.2Å; I367-M386 HydrophobicContact CD1-CE 3.92Å; I367-M386 HydrophobicContact CG2-CE 4.07Å; I367-N389 WeakPolarHBondContact CB-OD1 3.29Å; I367-N389 PolarHBondContact N-OD1 3.23Å; I367-Q390 CarbonylContact O-C 3.19Å; I367-Q390 WeakPolarHBondContact O-CA 3.21Å; I367-Q390 PolarHBondContact O-N 3.29Å; I367-L391 HydrophobicContact CG2-CD2 4.07Å; I367-L391 PolarHBondContact O-N 2.9Å
368	N	96.7	Very high	96.3	Very high	74 Å²	74	54 Å²	54	40%	0.396	26%	0.258	S	S	.	.			trans	-96.4	-14.3	-177.5	65.8	18.9	0	0	0	114.9	R366 Q390 T392	R366-N368 PolarHBondContact O-N 3.01Å; N368-Q390 VanDerWaalsContact CA-O 3.32Å; N368-Q390 WeakPolarHBondContact CA-O 3.4Å; N368-Q390 HydrophobicContact CB-CB 4.17Å; N368-T392 PolarHBondContact O-N 3.05Å; N368-T392 PolarHBondContact O-OG1 3.48Å
369	K	96.8	Very high	96.1	Very high	119 Å²	119	57.1 Å²	57.1	52%	0.517	27%	0.274	S	S	.	.			trans	-156.7	139.9	-177.3	-175.2	170.5	-177.9	177.4	0	112	I367	I367-K369 WeakPolarHBondContact CG2-O 3.47Å
370	I	96.7	Very high	96	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-89.1	128	166.3	-56.2	177.5	0	0	0	108	Y346 I374 F375 M386 L391 L394 P395 W401	Y346-I370 HydrophobicContact CD2-CB 4.45Å; Y346-I370 HydrophobicContact CD2-CG1 4.21Å; Y346-I370 HydrophobicContact CD2-CG2 4.38Å; Y346-I370 HydrophobicContact CE2-CB 4.43Å; Y346-I370 HydrophobicContact CE2-CG1 3.9Å; Y346-I370 HydrophobicContact CE2-CG2 4.19Å; I370-I374 HydrophobicContact CG2-CG2 3.73Å; I370-F375 HydrophobicContact CG2-CE2 4.07Å; I370-M386 HydrophobicContact CD1-CG 4.28Å; I370-M386 HydrophobicContact CG1-CE 4.45Å; I370-L391 HydrophobicContact CD1-CD1 4.13Å; I370-L391 HydrophobicContact CG1-CD1 4.38Å; I370-L391 HydrophobicContact CG1-CD2 3.93Å; I370-L394 HydrophobicContact CD1-CD2 4.45Å; I370-P395 HydrophobicContact CB-CG 4.3Å; I370-P395 HydrophobicContact CG2-CG 4.23Å; I370-W401 HydrophobicContact CD1-CH2 3.87Å; I370-W401 HydrophobicContact CG2-CH2 4.3Å; I370-W401 HydrophobicContact CG2-CZ2 4.24Å
371	P	95.6	Very high	95.9	Very high	46 Å²	46	59.2 Å²	59.2	30%	0.299	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-68.3	148.7	-179.4	-19.5	31.7	0	0	0	112.8	Y346 I374	Y346-P371 VanDerWaalsContact CB-CD 3.42Å; Y346-P371 HydrophobicContact CG-CG 4.31Å; P371-I374 HydrophobicContact CB-CB 4.27Å; P371-I374 HydrophobicContact CB-CD1 4.33Å; P371-I374 HydrophobicContact CG-CD1 4.31Å; P371-I374 HydrophobicContact CG-CG1 4.46Å; P371-I374 WeakPolarHBondContact O-CB 3.23Å; P371-I374 WeakPolarHBondContact O-CG2 3.4Å
372	F	94.8	Very high	95.9	Very high	148 Å²	148	58.1 Å²	58.1	65%	0.649	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	136.5	172.9	177.3	-89.8	0	0	0	111	I374 L396 D397	F372-I374 PolarHBondContact O-N 3.18Å; F372-L396 HydrophobicContact CD2-CB 4.02Å; F372-L396 HydrophobicContact CE2-CB 4.07Å; F372-D397 WeakPolarHBondContact CA-OD1 3.29Å; F372-D397 HydrophobicContact CD2-CB 3.89Å; F372-D397 WeakPolarHBondContact CD2-OD1 3.4Å; F372-D397 HydrophobicContact CE2-CB 3.62Å; F372-D397 HydrophobicContact CZ-CB 4.23Å
373	G	93.5	Very high	96	Very high	19 Å²	19	60.2 Å²	60.2	20%	0.196	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	1.9	175.3	0	0	0	0	0	114.8	F375 S376 D397	G373-F375 PolarHBondContact O-N 3.46Å; G373-S376 WeakPolarHBondContact O-CB 3.19Å; G373-S376 PolarHBondContact O-N 3.24Å; G373-S376 PolarHBondContact O-OG 3.29Å; G373-D397 WeakPolarHBondContact CA-OD2 3.46Å; G373-D397 PolarHBondContact N-OD1 2.77Å; G373-D397 VanDerWaalsContact N-OD1 3.13Å; G373-D397 PolarHBondContact N-OD2 3.23Å
374	I	93.6	Very high	96	Very high	32 Å²	32	58.3 Å²	58.3	16%	0.164	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.6	-173.3	-155.7	68	0	0	0	112.9	Y346 Q353 F354 I370 P371 F372	Y346-I374 HydrophobicContact CD1-CG1 4.08Å; Y346-I374 HydrophobicContact CE1-CG1 4.46Å; Q353-I374 VanDerWaalsContact NE2-CD1 3.26Å; F354-I374 HydrophobicContact CD2-CG1 4.44Å; F354-I374 HydrophobicContact CE2-CG1 3.93Å; I370-I374 HydrophobicContact CG2-CG2 3.73Å; P371-I374 HydrophobicContact CB-CB 4.27Å; P371-I374 HydrophobicContact CB-CD1 4.33Å; P371-I374 HydrophobicContact CG-CD1 4.31Å; P371-I374 HydrophobicContact CG-CG1 4.46Å; P371-I374 WeakPolarHBondContact O-CB 3.23Å; P371-I374 WeakPolarHBondContact O-CG2 3.4Å; F372-I374 PolarHBondContact O-N 3.18Å
375	F	94.3	Very high	96	Very high	12 Å²	12	55.3 Å²	55.3	5%	0.053	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	8.2	176.8	-60.2	-54.8	0	0	0	113.8	Y346 F354 L360 I370 G373 R377 A378 L381 L384 W401	Y346-F375 HydrophobicContact CE1-CZ 4.32Å; Y346-F375 WeakPolarHBondContact OH-CZ 3.23Å; F354-F375 HydrophobicContact CB-CD1 4.37Å; F354-F375 AromaticContact CD2-CD1 3.46Å; F354-F375 HydrophobicContact CD2-CD1 3.46Å; F354-F375 VanDerWaalsContact CD2-CD1 3.46Å; F354-F375 AromaticContact CD2-CE1 3.39Å; F354-F375 HydrophobicContact CD2-CE1 3.39Å; F354-F375 HydrophobicContact CE2-CD1 4.07Å; F354-F375 AromaticContact CE2-CE1 3.59Å; F354-F375 HydrophobicContact CE2-CE1 3.59Å; F354-F375 HydrophobicContact CE2-CZ 4.45Å; F354-F375 HydrophobicContact CG-CD1 4.22Å; F354-F375 HydrophobicContact CG-CE1 4.18Å; L360-F375 HydrophobicContact CD2-CE1 3.89Å; L360-F375 HydrophobicContact CD2-CZ 4.12Å; I370-F375 HydrophobicContact CG2-CE2 4.07Å; G373-F375 PolarHBondContact O-N 3.46Å; F375-R377 PolarHBondContact O-N 3.05Å; F375-A378 HydrophobicContact CB-CB 4Å; F375-A378 HydrophobicContact CD1-CB 4.08Å; F375-A378 WeakPolarHBondContact O-CB 3.31Å; F375-A378 PolarHBondContact O-N 2.99Å; F375-L381 HydrophobicContact CD1-CD2 3.36Å; F375-L381 HydrophobicContact CD2-CD2 4.5Å; F375-L381 HydrophobicContact CE1-CD2 3.36Å; F375-L381 HydrophobicContact CE2-CD2 4.48Å; F375-L381 HydrophobicContact CG-CD2 3.97Å; F375-L381 HydrophobicContact CZ-CD2 3.94Å; F375-L384 HydrophobicContact CE2-CD2 3.75Å; F375-L384 HydrophobicContact CZ-CD1 4.13Å; F375-L384 HydrophobicContact CZ-CD2 3.87Å; F375-W401 HydrophobicContact CD2-CD2 4.08Å; F375-W401 AromaticContact CD2-CE2 3.53Å; F375-W401 HydrophobicContact CD2-CH2 4.16Å; F375-W401 AromaticContact CD2-CZ2 3.59Å; F375-W401 HydrophobicContact CD2-CZ2 3.59Å; F375-W401 AromaticContact CD2-NE1 3.76Å; F375-W401 AromaticContact CE2-CH2 3.96Å; F375-W401 HydrophobicContact CE2-CH2 3.96Å; F375-W401 AromaticContact CE2-CZ2 3.84Å; F375-W401 HydrophobicContact CE2-CZ2 3.84Å; F375-W401 HydrophobicContact CE2-CZ3 4.4Å
376	S	91.4	Very high	96	Very high	82 Å²	82	54.8 Å²	54.8	57%	0.573	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.9	-177.4	59.2	0	0	0	0	115.1	G373	G373-S376 WeakPolarHBondContact O-CB 3.19Å; G373-S376 PolarHBondContact O-N 3.24Å; G373-S376 PolarHBondContact O-OG 3.29Å
377	R	93.2	Very high	96	Very high	148 Å²	148	51.9 Å²	51.9	56%	0.558	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-1	174.3	-58	-164.4	-177.9	-119.7	-4.4	114.3	P351 S355 F375 K379	P351-R377 WeakPolarHBondContact O-CD 3.43Å; S355-R377 WeakPolarHBondContact CA-O 3.37Å; F375-R377 PolarHBondContact O-N 3.05Å; R377-K379 PolarHBondContact O-N 3.07Å
378	A	94.2	Very high	96	Very high	6 Å²	6	54.6 Å²	54.6	5%	0.05	27%	0.271	C	S	.	.			trans	-83.4	56.5	-173.1	0	0	0	0	0	112.3	F354 F375 V380 L381	F354-A378 HydrophobicContact CB-CB 3.78Å; F354-A378 WeakPolarHBondContact O-CA 3.38Å; F354-A378 WeakPolarHBondContact O-CB 3.29Å; F375-A378 HydrophobicContact CB-CB 4Å; F375-A378 HydrophobicContact CD1-CB 4.08Å; F375-A378 WeakPolarHBondContact O-CB 3.31Å; F375-A378 PolarHBondContact O-N 2.99Å; A378-V380 PolarHBondContact O-N 2.94Å; A378-L381 HydrophobicContact CB-CB 3.89Å; A378-L381 HydrophobicContact CB-CD2 4.3Å; A378-L381 WeakPolarHBondContact O-CB 3.33Å; A378-L381 PolarHBondContact O-N 2.69Å; A378-L381 VanDerWaalsContact O-N 3.1Å
379	K	92.5	Very high	96.1	Very high	181 Å²	181	51.6 Å²	51.6	79%	0.787	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.7	-170.9	-64.2	-173	177.2	-173.4	0	115.5	R377 S403	R377-K379 PolarHBondContact O-N 3.07Å; K379-S403 WeakPolarHBondContact O-CB 3.32Å
380	V	96.1	Very high	96.2	Very high	66 Å²	66	49.8 Å²	49.8	40%	0.4	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	2	-178.3	-60.7	0	0	0	0	112.7	Y358 A378 S382	Y358-V380 WeakPolarHBondContact CA-O 3.2Å; Y358-V380 WeakPolarHBondContact CD2-O 3.34Å; A378-V380 PolarHBondContact O-N 2.94Å; V380-S382 PolarHBondContact O-N 2.81Å; V380-S382 VanDerWaalsContact O-N 3.09Å; V380-S382 PolarHBondContact O-OG 3.14Å
381	L	97.2	Very high	96.3	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.016	25%	0.248	C	C	.	.			trans	-70.4	109.5	179.8	-179	65.4	0	0	0	109.1	I357 L360 F375 A378 K383 S403 M404	I357-L381 HydrophobicContact CG2-CD1 4.34Å; I357-L381 VanDerWaalsContact O-CA 3.23Å; I357-L381 WeakPolarHBondContact O-CA 3.47Å; I357-L381 PolarHBondContact O-N 3.21Å; L360-L381 HydrophobicContact CB-CD1 3.95Å; F375-L381 HydrophobicContact CD1-CD2 3.36Å; F375-L381 HydrophobicContact CD2-CD2 4.5Å; F375-L381 HydrophobicContact CE1-CD2 3.36Å; F375-L381 HydrophobicContact CE2-CD2 4.48Å; F375-L381 HydrophobicContact CG-CD2 3.97Å; F375-L381 HydrophobicContact CZ-CD2 3.94Å; A378-L381 HydrophobicContact CB-CB 3.89Å; A378-L381 HydrophobicContact CB-CD2 4.3Å; A378-L381 WeakPolarHBondContact O-CB 3.33Å; A378-L381 PolarHBondContact O-N 2.69Å; A378-L381 VanDerWaalsContact O-N 3.1Å; L381-K383 WeakPolarHBondContact CD1-O 3.34Å; L381-S403 CarbonylContact O-C 3.09Å; L381-S403 VanDerWaalsContact O-C 3.31Å; L381-S403 WeakPolarHBondContact O-CB 3.46Å; L381-S403 PolarHBondContact O-OG 2.97Å; L381-M404 HydrophobicContact CD2-CE 4.01Å; L381-M404 HydrophobicContact CG-CE 4.11Å; L381-M404 PolarHBondContact O-N 2.85Å
382	S	98.1	Very high	96.3	Very high	15 Å²	15	50.8 Å²	50.8	11%	0.105	25%	0.254	C	S	.	.			trans	-113.9	-20.2	-175.4	-65.7	0	0	0	0	113.1	Y358 V380 S403 V405 E406	Y358-S382 VanDerWaalsContact CE2-CB 3.42Å; Y358-S382 WeakPolarHBondContact CE2-OG 3.45Å; Y358-S382 PolarHBondContact O-N 2.72Å; V380-S382 PolarHBondContact O-N 2.81Å; V380-S382 VanDerWaalsContact O-N 3.09Å; V380-S382 PolarHBondContact O-OG 3.14Å; S382-S403 WeakPolarHBondContact CA-O 3.47Å; S382-S403 PolarHBondContact OG-O 2.84Å; S382-S403 VanDerWaalsContact OG-O 3.08Å; S382-V405 WeakPolarHBondContact O-CA 3.39Å; S382-V405 PolarHBondContact O-N 2.99Å; S382-E406 PolarHBondContact O-N 3.07Å
383	K	98.7	Very high	96.4	Very high	43 Å²	43	45.9 Å²	45.9	19%	0.187	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.7	175.7	-53.8	-162.4	173.3	-143.1	0	111.3	Y358 L360 L381 E406	Y358-K383 HydrophobicContact CE1-CG 4.39Å; Y358-K383 PolarHBondContact O-N 2.93Å; L360-K383 PolarHBondContact N-O 3.24Å; L381-K383 WeakPolarHBondContact CD1-O 3.34Å; K383-E406 WeakPolarHBondContact CA-O 3.27Å; K383-E406 HydrophobicContact CB-CB 4.44Å; K383-E406 HydrophobicContact CD-CB 4.48Å; K383-E406 WeakPolarHBondContact CD-OE2 3.29Å; K383-E406 VanDerWaalsContact CE-OE2 3.32Å; K383-E406 WeakPolarHBondContact CE-OE2 3.39Å; K383-E406 HydrophobicContact CG-CB 4.11Å; K383-E406 IonicContact NZ-OE2 2.74Å; K383-E406 PolarHBondContact NZ-OE2 3Å
384	L	98.6	Very high	96.6	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113	173.4	178.3	59.8	0	0	0	110.2	L360 F375 M386 W401 M404 E406 L407 N408	L360-L384 HydrophobicContact CB-CD1 4.11Å; L360-L384 HydrophobicContact CD2-CD1 3.99Å; L360-L384 HydrophobicContact CG-CD1 3.99Å; L360-L384 WeakPolarHBondContact O-CA 3.38Å; F375-L384 HydrophobicContact CE2-CD2 3.75Å; F375-L384 HydrophobicContact CZ-CD1 4.13Å; F375-L384 HydrophobicContact CZ-CD2 3.87Å; L384-M386 HydrophobicContact CD1-CG 3.82Å; L384-M386 HydrophobicContact CD1-SD 3.99Å; L384-M386 HydrophobicContact CD2-CG 4.26Å; L384-M386 HydrophobicContact CG-CG 3.89Å; L384-W401 HydrophobicContact CD2-CE3 4.37Å; L384-W401 HydrophobicContact CD2-CH2 4.3Å; L384-W401 HydrophobicContact CD2-CZ3 3.78Å; L384-M404 HydrophobicContact CB-CE 3.65Å; L384-M404 HydrophobicContact CB-SD 3.65Å; L384-M404 HydrophobicContact CD2-CE 3.99Å; L384-M404 HydrophobicContact CG-CE 4.48Å; L384-E406 PolarHBondContact N-O 3.29Å; L384-L407 HydrophobicContact CB-CD1 4.03Å; L384-L407 HydrophobicContact CD2-CD1 3.94Å; L384-L407 HydrophobicContact CG-CD1 4.11Å; L384-N408 PolarHBondContact O-N 2.92Å
385	N	98.8	Very high	96.7	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.134	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.7	170.8	-177	6.3	0	0	0	110	L360 N361 M362 E363 K387 N408	L360-N385 PolarHBondContact O-N 3.11Å; N361-N385 HydrophobicContact CB-CB 4.36Å; N361-N385 PolarHBondContact OD1-ND2 3.42Å; M362-N385 PolarHBondContact N-O 2.96Å; E363-N385 PolarHBondContact OE2-ND2 3.08Å; N385-K387 WeakPolarHBondContact OD1-CB 3.47Å; N385-K387 PolarHBondContact OD1-N 3.37Å; N385-N408 HydrophobicContact CB-CB 4.45Å
386	M	98.4	Very high	96.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.			trans	-122.2	22.9	174.9	-63.1	-69.8	-50.4	0	0	111.2	Y346 M362 I367 I370 L384 N389 L391 N408 L409 N412	Y346-M386 HydrophobicContact CD2-CE 4.42Å; Y346-M386 HydrophobicContact CE2-CE 3.68Å; Y346-M386 HydrophobicContact CE2-SD 3.72Å; Y346-M386 PolarHBondContact OH-SD 3.22Å; M362-M386 HydrophobicContact CB-CE 4.4Å; M362-M386 HydrophobicContact CB-SD 3.79Å; M362-M386 HydrophobicContact CG-SD 4.2Å; M362-M386 HydrophobicContact SD-SD 4.29Å; I367-M386 HydrophobicContact CB-CE 4.2Å; I367-M386 HydrophobicContact CD1-CE 3.92Å; I367-M386 HydrophobicContact CG2-CE 4.07Å; I370-M386 HydrophobicContact CD1-CG 4.28Å; I370-M386 HydrophobicContact CG1-CE 4.45Å; L384-M386 HydrophobicContact CD1-CG 3.82Å; L384-M386 HydrophobicContact CD1-SD 3.99Å; L384-M386 HydrophobicContact CD2-CG 4.26Å; L384-M386 HydrophobicContact CG-CG 3.89Å; M386-N389 PolarHBondContact O-ND2 3.05Å; M386-L391 HydrophobicContact CB-CD1 3.94Å; M386-L391 HydrophobicContact CE-CD1 4.22Å; M386-L391 HydrophobicContact CE-CD2 4.39Å; M386-L391 HydrophobicContact CG-CD1 4.47Å; M386-N408 PolarHBondContact N-O 2.94Å; M386-L409 HydrophobicContact CB-CD2 3.91Å; M386-L409 HydrophobicContact CG-CD2 4.27Å; M386-N412 PolarHBondContact O-ND2 3.09Å
387	K	98.7	Very high	96.9	Very high	69 Å²	69	47.8 Å²	47.8	30%	0.3	24%	0.238	S	C	.	.			trans	-56.1	152.7	178.9	174.2	173.9	169.1	-149.8	0	111.9	E363 H364 N385 N389 A410	E363-K387 CarbonylContact C-O 3.42Å; E363-K387 WeakPolarHBondContact CA-O 3.48Å; E363-K387 HydrophobicContact CB-CB 4.33Å; E363-K387 HydrophobicContact CG-CB 3.89Å; E363-K387 HydrophobicContact CG-CG 4.15Å; E363-K387 WeakPolarHBondContact OE1-CD 3.43Å; E363-K387 IonicContact OE1-NZ 3.43Å; E363-K387 PolarHBondContact OE1-NZ 3.33Å; H364-K387 PolarHBondContact N-O 2.75Å; N385-K387 WeakPolarHBondContact OD1-CB 3.47Å; N385-K387 PolarHBondContact OD1-N 3.37Å; K387-N389 PolarHBondContact O-ND2 3.38Å; K387-A410 CarbonylContact C-O 3.15Å; K387-A410 WeakPolarHBondContact CA-O 3.38Å; K387-A410 HydrophobicContact CB-CB 4.46Å; K387-A410 HydrophobicContact CD-CB 4.16Å; K387-A410 HydrophobicContact CG-CB 4.01Å
388	D	98.6	Very high	96.9	Very high	57 Å²	57	40.9 Å²	40.9	31%	0.305	21%	0.212	S	C	.	.	S	Bend	trans	54.2	64.7	172.1	-165.9	2.8	0	0	0	111.4	E363 H364 N365 A410 T411	E363-D388 HydrophobicContact CG-CB 4.46Å; H364-D388 CarbonylContact C-O 3.53Å; H364-D388 WeakPolarHBondContact CA-O 3.5Å; H364-D388 HydrophobicContact CB-CB 4.47Å; H364-D388 IonicContact CE1-OD2 3.68Å; H364-D388 IonicContact CG-OD2 3.72Å; H364-D388 PolarHBondContact N-O 2.96Å; H364-D388 VanDerWaalsContact N-O 3.1Å; H364-D388 IonicContact ND1-OD2 3.87Å; H364-D388 PolarHBondContact ND1-OD2 2.73Å; N365-D388 PolarHBondContact N-O 2.97Å; D388-A410 PolarHBondContact N-O 2.95Å; D388-T411 WeakPolarHBondContact CA-O 3.5Å; D388-T411 HydrophobicContact CB-CG2 4.29Å; D388-T411 PolarHBondContact N-O 2.99Å
389	N	98.8	Very high	97	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.053	22%	0.218	C	C	.	.	S	Bend	trans	-140.4	-168.3	-178.3	-92.3	-84.2	0	0	0	109	M362 N365 I367 M386 K387 L391 T411 N412	M362-N389 PolarHBondContact O-ND2 3.12Å; N365-N389 VanDerWaalsContact C-OD1 3.25Å; N365-N389 WeakPolarHBondContact CB-OD1 3.19Å; I367-N389 WeakPolarHBondContact CB-OD1 3.29Å; I367-N389 PolarHBondContact N-OD1 3.23Å; M386-N389 PolarHBondContact O-ND2 3.05Å; K387-N389 PolarHBondContact O-ND2 3.38Å; N389-L391 HydrophobicContact CB-CG 4.4Å; N389-T411 PolarHBondContact N-O 3.48Å; N389-T411 VanDerWaalsContact N-O 3.15Å; N389-N412 WeakPolarHBondContact CA-OD1 3.3Å; N389-N412 WeakPolarHBondContact CB-OD1 3.19Å; N389-N412 PolarHBondContact O-OD1 3.16Å
390	Q	98.3	Very high	97.1	Very high	81 Å²	81	36.5 Å²	36.5	38%	0.379	20%	0.203	S	C	.	.			trans	-115.7	23.3	-175.8	-59.3	-177.6	5.7	0	0	111.8	I367 N368 T392 N412	I367-Q390 CarbonylContact O-C 3.19Å; I367-Q390 WeakPolarHBondContact O-CA 3.21Å; I367-Q390 PolarHBondContact O-N 3.29Å; N368-Q390 VanDerWaalsContact CA-O 3.32Å; N368-Q390 WeakPolarHBondContact CA-O 3.4Å; N368-Q390 HydrophobicContact CB-CB 4.17Å; Q390-T392 PolarHBondContact O-N 2.99Å; Q390-T392 VanDerWaalsContact O-N 3.15Å; Q390-N412 PolarHBondContact N-OD1 2.96Å
391	L	98.4	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.			trans	-62.3	117.3	-173.3	-62.7	178.7	0	0	0	110.7	I367 I370 M386 N389 L409 N412 Q413 L414	I367-L391 HydrophobicContact CG2-CD2 4.07Å; I367-L391 PolarHBondContact O-N 2.9Å; I370-L391 HydrophobicContact CD1-CD1 4.13Å; I370-L391 HydrophobicContact CG1-CD1 4.38Å; I370-L391 HydrophobicContact CG1-CD2 3.93Å; M386-L391 HydrophobicContact CB-CD1 3.94Å; M386-L391 HydrophobicContact CE-CD1 4.22Å; M386-L391 HydrophobicContact CE-CD2 4.39Å; M386-L391 HydrophobicContact CG-CD1 4.47Å; N389-L391 HydrophobicContact CB-CG 4.4Å; L391-L409 HydrophobicContact CD1-CD2 4.17Å; L391-N412 HydrophobicContact CB-CB 4.24Å; L391-N412 WeakPolarHBondContact CB-OD1 3.49Å; L391-N412 VanDerWaalsContact CG-OD1 3.31Å; L391-N412 WeakPolarHBondContact CG-OD1 3.21Å; L391-N412 PolarHBondContact N-OD1 2.91Å; L391-Q413 CarbonylContact O-C 3.11Å; L391-Q413 VanDerWaalsContact O-CA 3.28Å; L391-Q413 WeakPolarHBondContact O-CA 3.48Å; L391-Q413 PolarHBondContact O-N 2.87Å; L391-L414 HydrophobicContact CB-CD2 4.04Å; L391-L414 PolarHBondContact O-N 2.98Å
392	T	97	Very high	97	Very high	67 Å²	67	37.2 Å²	37.2	41%	0.411	21%	0.207	S	C	.	.			trans	-92.9	-23.7	178.3	54.4	0	0	0	0	112.9	N368 Q390 Q413	N368-T392 PolarHBondContact O-N 3.05Å; N368-T392 PolarHBondContact O-OG1 3.48Å; Q390-T392 PolarHBondContact O-N 2.99Å; Q390-T392 VanDerWaalsContact O-N 3.15Å; T392-Q413 HydrophobicContact CG2-CB 4.32Å
393	S	96.9	Very high	96.9	Very high	45 Å²	45	37.7 Å²	37.7	32%	0.315	21%	0.211	S	C	.	.			trans	-160.8	157.1	-177.4	51.5	0	0	0	0	111.9
394	L	97.3	Very high	96.9	Very high	17 Å²	17	35.7 Å²	35.7	9%	0.089	20%	0.202	C	C	.	.			trans	-92	153.5	170.7	-66.1	171.1	0	0	0	110.7	I370 F398 L409 L414 I417 P418	I370-L394 HydrophobicContact CD1-CD2 4.45Å; L394-F398 HydrophobicContact CB-CD2 4.4Å; L394-F398 HydrophobicContact CB-CG 4.34Å; L394-F398 HydrophobicContact CD1-CD1 4.23Å; L394-F398 HydrophobicContact CD1-CD2 4.13Å; L394-F398 HydrophobicContact CD1-CE1 3.93Å; L394-F398 HydrophobicContact CD1-CE2 3.85Å; L394-F398 HydrophobicContact CD1-CG 4.32Å; L394-F398 HydrophobicContact CD1-CZ 3.75Å; L394-F398 HydrophobicContact CD2-CD2 4.44Å; L394-F398 HydrophobicContact CD2-CE2 4.4Å; L394-L409 HydrophobicContact CD1-CD1 4.05Å; L394-L409 HydrophobicContact CD2-CD1 3.88Å; L394-L409 HydrophobicContact CD2-CD2 4.46Å; L394-L409 HydrophobicContact CG-CD1 4.49Å; L394-L414 HydrophobicContact CG-CD2 4.37Å; L394-I417 HydrophobicContact CD1-CD1 3.95Å; L394-I417 HydrophobicContact CD1-CG2 4.47Å; L394-P418 HydrophobicContact CB-CG 4.22Å
395	P	96.1	Very high	96.9	Very high	8 Å²	8	37.6 Å²	37.6	5%	0.052	21%	0.213	C	C	.	.			trans	-76.3	162.7	-176.6	32.3	-34.9	0	0	0	112.4	I370 D397 F398 W401	I370-P395 HydrophobicContact CB-CG 4.3Å; I370-P395 HydrophobicContact CG2-CG 4.23Å; P395-D397 VanDerWaalsContact C-N 3.25Å; P395-D397 WeakPolarHBondContact CB-OD1 3.42Å; P395-D397 PolarHBondContact O-N 3.12Å; P395-F398 WeakPolarHBondContact O-CB 3.45Å; P395-F398 PolarHBondContact O-N 2.98Å; P395-F398 VanDerWaalsContact O-N 3.13Å; P395-W401 HydrophobicContact CG-CH2 4.33Å; P395-W401 HydrophobicContact CG-CZ2 3.67Å
396	L	93.5	Very high	96.9	Very high	148 Å²	148	39 Å²	39	78%	0.775	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-19.2	-175.9	-61.4	176.1	0	0	0	114	F372 F398	F372-L396 HydrophobicContact CD2-CB 4.02Å; F372-L396 HydrophobicContact CE2-CB 4.07Å; L396-F398 VanDerWaalsContact C-N 3.34Å
397	D	94.7	Very high	96.9	Very high	13 Å²	13	39 Å²	39	7%	0.07	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	14	173.9	63.6	-52.7	0	0	0	113.2	F372 G373 P395 G399 T400	F372-D397 WeakPolarHBondContact CA-OD1 3.29Å; F372-D397 HydrophobicContact CD2-CB 3.89Å; F372-D397 WeakPolarHBondContact CD2-OD1 3.4Å; F372-D397 HydrophobicContact CE2-CB 3.62Å; F372-D397 HydrophobicContact CZ-CB 4.23Å; G373-D397 WeakPolarHBondContact CA-OD2 3.46Å; G373-D397 PolarHBondContact N-OD1 2.77Å; G373-D397 VanDerWaalsContact N-OD1 3.13Å; G373-D397 PolarHBondContact N-OD2 3.23Å; P395-D397 VanDerWaalsContact C-N 3.25Å; P395-D397 WeakPolarHBondContact CB-OD1 3.42Å; P395-D397 PolarHBondContact O-N 3.12Å; D397-G399 PolarHBondContact O-N 3.09Å; D397-T400 HydrophobicContact CB-CG2 4.14Å; D397-T400 WeakPolarHBondContact O-CB 3.18Å; D397-T400 WeakPolarHBondContact O-CG2 3.34Å; D397-T400 PolarHBondContact O-N 2.84Å; D397-T400 PolarHBondContact O-OG1 2.81Å
398	F	94.6	Very high	96.9	Very high	2 Å²	2	37 Å²	37	1%	0.009	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-50.7	-42.2	-179.3	177.1	-119.5	0	0	0	113.1	L394 P395 L396 T400 W401 L407 I417 P418 V421 L424	L394-F398 HydrophobicContact CB-CD2 4.4Å; L394-F398 HydrophobicContact CB-CG 4.34Å; L394-F398 HydrophobicContact CD1-CD1 4.23Å; L394-F398 HydrophobicContact CD1-CD2 4.13Å; L394-F398 HydrophobicContact CD1-CE1 3.93Å; L394-F398 HydrophobicContact CD1-CE2 3.85Å; L394-F398 HydrophobicContact CD1-CG 4.32Å; L394-F398 HydrophobicContact CD1-CZ 3.75Å; L394-F398 HydrophobicContact CD2-CD2 4.44Å; L394-F398 HydrophobicContact CD2-CE2 4.4Å; P395-F398 WeakPolarHBondContact O-CB 3.45Å; P395-F398 PolarHBondContact O-N 2.98Å; P395-F398 VanDerWaalsContact O-N 3.13Å; L396-F398 VanDerWaalsContact C-N 3.34Å; F398-T400 PolarHBondContact O-N 2.94Å; F398-W401 AromaticContact CD2-CD2 3.86Å; F398-W401 HydrophobicContact CD2-CD2 3.86Å; F398-W401 AromaticContact CD2-CE3 3.53Å; F398-W401 HydrophobicContact CD2-CE3 3.53Å; F398-W401 AromaticContact CD2-CH2 3.73Å; F398-W401 HydrophobicContact CD2-CH2 3.73Å; F398-W401 HydrophobicContact CD2-CZ2 4.01Å; F398-W401 AromaticContact CD2-CZ3 3.48Å; F398-W401 HydrophobicContact CD2-CZ3 3.48Å; F398-W401 VanDerWaalsContact CD2-CZ3 3.48Å; F398-W401 HydrophobicContact CE2-CD2 4.33Å; F398-W401 AromaticContact CE2-CE3 3.58Å; F398-W401 HydrophobicContact CE2-CE3 3.58Å; F398-W401 HydrophobicContact CE2-CH2 4.18Å; F398-W401 AromaticContact CE2-CZ3 3.51Å; F398-W401 HydrophobicContact CE2-CZ3 3.51Å; F398-W401 WeakPolarHBondContact O-CB 3.29Å; F398-W401 VanDerWaalsContact O-CG 3.22Å; F398-W401 PolarHBondContact O-N 3.03Å; F398-L407 HydrophobicContact CE2-CD2 3.78Å; F398-L407 HydrophobicContact CZ-CD2 3.86Å; F398-I417 HydrophobicContact CE1-CG2 4.23Å; F398-P418 HydrophobicContact CD1-CG 4.3Å; F398-V421 HydrophobicContact CD1-CB 4.47Å; F398-V421 HydrophobicContact CE1-CB 3.77Å; F398-V421 HydrophobicContact CE1-CG2 3.85Å; F398-V421 HydrophobicContact CZ-CG2 4.35Å; F398-L424 HydrophobicContact CD1-CD1 4.32Å; F398-L424 HydrophobicContact CE1-CD1 4.13Å; F398-L424 HydrophobicContact CE1-CD2 4.29Å; F398-L424 HydrophobicContact CE2-CD1 4.4Å; F398-L424 HydrophobicContact CE2-CD2 3.87Å; F398-L424 HydrophobicContact CZ-CD1 4.16Å; F398-L424 HydrophobicContact CZ-CD2 3.59Å; F398-L424 VanDerWaalsContact O-CD1 3.3Å; F398-L424 WeakPolarHBondContact O-CD1 3.44Å
399	G	94.8	Very high	96.9	Very high	18 Å²	18	34.3 Å²	34.3	19%	0.186	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-64.6	-8	177.3	0	0	0	0	0	115.8	D397 W401 D420 G423	D397-G399 PolarHBondContact O-N 3.09Å; G399-W401 VanDerWaalsContact C-N 3.3Å; G399-D420 WeakPolarHBondContact CA-O 3.37Å; G399-G423 WeakPolarHBondContact O-CA 3.41Å
400	T	95.1	Very high	96.9	Very high	78 Å²	78	34 Å²	34	48%	0.479	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-80.4	-8.9	175.8	68.5	0	0	0	0	113.6	D397 F398 T402	D397-T400 HydrophobicContact CB-CG2 4.14Å; D397-T400 WeakPolarHBondContact O-CB 3.18Å; D397-T400 WeakPolarHBondContact O-CG2 3.34Å; D397-T400 PolarHBondContact O-N 2.84Å; D397-T400 PolarHBondContact O-OG1 2.81Å; F398-T400 PolarHBondContact O-N 2.94Å; T400-T402 PolarHBondContact O-N 2.93Å
401	W	96.1	Very high	97	Very high	8 Å²	8	32.2 Å²	32.2	3%	0.03	19%	0.191	C	C	.	.			trans	-78.9	46.2	-174.3	-53.6	-0.5	0	0	0	112.6	I370 F375 L384 P395 F398 G399 S403 M404 L407 L424	I370-W401 HydrophobicContact CD1-CH2 3.87Å; I370-W401 HydrophobicContact CG2-CH2 4.3Å; I370-W401 HydrophobicContact CG2-CZ2 4.24Å; F375-W401 HydrophobicContact CD2-CD2 4.08Å; F375-W401 AromaticContact CD2-CE2 3.53Å; F375-W401 HydrophobicContact CD2-CH2 4.16Å; F375-W401 AromaticContact CD2-CZ2 3.59Å; F375-W401 HydrophobicContact CD2-CZ2 3.59Å; F375-W401 AromaticContact CD2-NE1 3.76Å; F375-W401 AromaticContact CE2-CH2 3.96Å; F375-W401 HydrophobicContact CE2-CH2 3.96Å; F375-W401 AromaticContact CE2-CZ2 3.84Å; F375-W401 HydrophobicContact CE2-CZ2 3.84Å; F375-W401 HydrophobicContact CE2-CZ3 4.4Å; L384-W401 HydrophobicContact CD2-CE3 4.37Å; L384-W401 HydrophobicContact CD2-CH2 4.3Å; L384-W401 HydrophobicContact CD2-CZ3 3.78Å; P395-W401 HydrophobicContact CG-CH2 4.33Å; P395-W401 HydrophobicContact CG-CZ2 3.67Å; F398-W401 AromaticContact CD2-CD2 3.86Å; F398-W401 HydrophobicContact CD2-CD2 3.86Å; F398-W401 AromaticContact CD2-CE3 3.53Å; F398-W401 HydrophobicContact CD2-CE3 3.53Å; F398-W401 AromaticContact CD2-CH2 3.73Å; F398-W401 HydrophobicContact CD2-CH2 3.73Å; F398-W401 HydrophobicContact CD2-CZ2 4.01Å; F398-W401 AromaticContact CD2-CZ3 3.48Å; F398-W401 HydrophobicContact CD2-CZ3 3.48Å; F398-W401 VanDerWaalsContact CD2-CZ3 3.48Å; F398-W401 HydrophobicContact CE2-CD2 4.33Å; F398-W401 AromaticContact CE2-CE3 3.58Å; F398-W401 HydrophobicContact CE2-CE3 3.58Å; F398-W401 HydrophobicContact CE2-CH2 4.18Å; F398-W401 AromaticContact CE2-CZ3 3.51Å; F398-W401 HydrophobicContact CE2-CZ3 3.51Å; F398-W401 WeakPolarHBondContact O-CB 3.29Å; F398-W401 VanDerWaalsContact O-CG 3.22Å; F398-W401 PolarHBondContact O-N 3.03Å; G399-W401 VanDerWaalsContact C-N 3.3Å; W401-S403 PolarHBondContact O-N 3.28Å; W401-S403 VanDerWaalsContact O-N 3.14Å; W401-M404 HydrophobicContact CB-CB 4.47Å; W401-M404 HydrophobicContact CB-CE 4.37Å; W401-M404 HydrophobicContact CD2-CE 4.46Å; W401-M404 HydrophobicContact CE3-CE 3.92Å; W401-M404 VanDerWaalsContact O-CB 3.23Å; W401-M404 WeakPolarHBondContact O-CB 3.34Å; W401-M404 PolarHBondContact O-N 3Å; W401-L407 HydrophobicContact CZ3-CD1 4.39Å; W401-L424 HydrophobicContact CB-CD1 4.39Å; W401-L424 HydrophobicContact CB-CG 4.31Å
402	T	95.8	Very high	97	Very high	76 Å²	76	32.7 Å²	32.7	47%	0.466	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.4	-172	53.2	0	0	0	0	115.3	T400 G423 S426	T400-T402 PolarHBondContact O-N 2.93Å; T402-G423 WeakPolarHBondContact CG2-O 3.41Å; T402-S426 VanDerWaalsContact O-CB 3.23Å; T402-S426 WeakPolarHBondContact O-CB 3.44Å; T402-S426 PolarHBondContact O-OG 3.17Å
403	S	96.8	Very high	97	Very high	25 Å²	25	33.8 Å²	33.8	18%	0.175	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.1	176.2	57.1	0	0	0	0	114.4	K379 L381 S382 W401	K379-S403 WeakPolarHBondContact O-CB 3.32Å; L381-S403 CarbonylContact O-C 3.09Å; L381-S403 VanDerWaalsContact O-C 3.31Å; L381-S403 WeakPolarHBondContact O-CB 3.46Å; L381-S403 PolarHBondContact O-OG 2.97Å; S382-S403 WeakPolarHBondContact CA-O 3.47Å; S382-S403 PolarHBondContact OG-O 2.84Å; S382-S403 VanDerWaalsContact OG-O 3.08Å; W401-S403 PolarHBondContact O-N 3.28Å; W401-S403 VanDerWaalsContact O-N 3.14Å
404	M	97.9	Very high	97.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.179	C	C	.	.			trans	-67.4	130.8	-176.3	-157.8	68.8	70.6	0	0	111.3	L381 L384 W401 L407 S426 L427	L381-M404 HydrophobicContact CD2-CE 4.01Å; L381-M404 HydrophobicContact CG-CE 4.11Å; L381-M404 PolarHBondContact O-N 2.85Å; L384-M404 HydrophobicContact CB-CE 3.65Å; L384-M404 HydrophobicContact CB-SD 3.65Å; L384-M404 HydrophobicContact CD2-CE 3.99Å; L384-M404 HydrophobicContact CG-CE 4.48Å; W401-M404 HydrophobicContact CB-CB 4.47Å; W401-M404 HydrophobicContact CB-CE 4.37Å; W401-M404 HydrophobicContact CD2-CE 4.46Å; W401-M404 HydrophobicContact CE3-CE 3.92Å; W401-M404 VanDerWaalsContact O-CB 3.23Å; W401-M404 WeakPolarHBondContact O-CB 3.34Å; W401-M404 PolarHBondContact O-N 3Å; M404-L407 HydrophobicContact CG-CB 4.11Å; M404-S426 CarbonylContact O-C 3.4Å; M404-S426 WeakPolarHBondContact O-CB 3.46Å; M404-L427 HydrophobicContact CB-CD1 4.1Å; M404-L427 HydrophobicContact CG-CD1 3.79Å; M404-L427 WeakPolarHBondContact O-CA 3.32Å; M404-L427 PolarHBondContact O-N 2.81Å; M404-L427 VanDerWaalsContact O-N 3.14Å
405	V	98.6	Very high	97.1	Very high	41 Å²	41	34.8 Å²	34.8	25%	0.248	20%	0.199	C	C	.	.	S	Bend	trans	-115	-39.2	178.8	178.8	0	0	0	0	110.5	S382 E428 V429	S382-V405 WeakPolarHBondContact O-CA 3.39Å; S382-V405 PolarHBondContact O-N 2.99Å; V405-E428 HydrophobicContact CG1-CB 4Å; V405-E428 HydrophobicContact CG1-CG 3.97Å; V405-E428 PolarHBondContact O-N 2.89Å; V405-V429 PolarHBondContact O-N 2.62Å
406	E	98.8	Very high	97.2	Very high	54 Å²	54	41.3 Å²	41.3	25%	0.252	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.5	179.4	-175.9	-178.1	142.6	0	0	109.6	S382 K383 L384 V429	S382-E406 PolarHBondContact O-N 3.07Å; K383-E406 WeakPolarHBondContact CA-O 3.27Å; K383-E406 HydrophobicContact CB-CB 4.44Å; K383-E406 HydrophobicContact CD-CB 4.48Å; K383-E406 WeakPolarHBondContact CD-OE2 3.29Å; K383-E406 VanDerWaalsContact CE-OE2 3.32Å; K383-E406 WeakPolarHBondContact CE-OE2 3.39Å; K383-E406 HydrophobicContact CG-CB 4.11Å; K383-E406 IonicContact NZ-OE2 2.74Å; K383-E406 PolarHBondContact NZ-OE2 3Å; L384-E406 PolarHBondContact N-O 3.29Å; E406-V429 HydrophobicContact CB-CB 4.43Å; E406-V429 HydrophobicContact CG-CB 4.17Å; E406-V429 HydrophobicContact CG-CG1 4.27Å
407	L	98.8	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.7	178.8	179.2	58.9	0	0	0	109.8	L384 F398 W401 M404 L409 L424 L427 V429 L430 I431	L384-L407 HydrophobicContact CB-CD1 4.03Å; L384-L407 HydrophobicContact CD2-CD1 3.94Å; L384-L407 HydrophobicContact CG-CD1 4.11Å; F398-L407 HydrophobicContact CE2-CD2 3.78Å; F398-L407 HydrophobicContact CZ-CD2 3.86Å; W401-L407 HydrophobicContact CZ3-CD1 4.39Å; M404-L407 HydrophobicContact CG-CB 4.11Å; L407-L409 HydrophobicContact CD1-CD1 4.38Å; L407-L409 HydrophobicContact CD1-CD2 3.84Å; L407-L409 HydrophobicContact CD1-CG 3.98Å; L407-L409 HydrophobicContact CD2-CD1 4.12Å; L407-L409 HydrophobicContact CD2-CG 4.5Å; L407-L409 HydrophobicContact CG-CD1 4.17Å; L407-L409 HydrophobicContact CG-CD2 4.43Å; L407-L409 HydrophobicContact CG-CG 4Å; L407-L424 HydrophobicContact CD2-CD2 3.82Å; L407-L427 HydrophobicContact CB-CD1 3.76Å; L407-V429 PolarHBondContact N-O 3Å; L407-L430 HydrophobicContact CB-CD1 4.22Å; L407-L430 HydrophobicContact CD2-CD1 4.05Å; L407-L430 HydrophobicContact CG-CD1 4.16Å; L407-I431 PolarHBondContact O-N 2.95Å
408	N	98.9	Very high	97.4	Very high	27 Å²	27	35.8 Å²	35.8	14%	0.144	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.2	175.9	-172.4	-14	0	0	0	110.4	L384 N385 M386 A410 I431	L384-N408 PolarHBondContact O-N 2.92Å; N385-N408 HydrophobicContact CB-CB 4.45Å; M386-N408 PolarHBondContact N-O 2.94Å; N408-A410 VanDerWaalsContact OD1-CB 3.3Å; N408-A410 WeakPolarHBondContact OD1-CB 3.23Å; N408-A410 PolarHBondContact OD1-N 2.94Å; N408-I431 HydrophobicContact CB-CB 4.18Å; N408-I431 HydrophobicContact CB-CG1 4.42Å
409	L	98.8	Very high	97.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.219	C	C	.	.			trans	-123.9	21.1	177.7	-53.5	172	0	0	0	111	M386 L391 L394 L407 N412 L414 I431 L432 N435	M386-L409 HydrophobicContact CB-CD2 3.91Å; M386-L409 HydrophobicContact CG-CD2 4.27Å; L391-L409 HydrophobicContact CD1-CD2 4.17Å; L394-L409 HydrophobicContact CD1-CD1 4.05Å; L394-L409 HydrophobicContact CD2-CD1 3.88Å; L394-L409 HydrophobicContact CD2-CD2 4.46Å; L394-L409 HydrophobicContact CG-CD1 4.49Å; L407-L409 HydrophobicContact CD1-CD1 4.38Å; L407-L409 HydrophobicContact CD1-CD2 3.84Å; L407-L409 HydrophobicContact CD1-CG 3.98Å; L407-L409 HydrophobicContact CD2-CD1 4.12Å; L407-L409 HydrophobicContact CD2-CG 4.5Å; L407-L409 HydrophobicContact CG-CD1 4.17Å; L407-L409 HydrophobicContact CG-CD2 4.43Å; L407-L409 HydrophobicContact CG-CG 4Å; L409-N412 PolarHBondContact O-ND2 2.96Å; L409-L414 HydrophobicContact CB-CD1 3.97Å; L409-L414 HydrophobicContact CD1-CD1 3.97Å; L409-I431 PolarHBondContact N-O 2.79Å; L409-L432 HydrophobicContact CB-CD2 4.1Å; L409-L432 HydrophobicContact CD1-CD2 3.9Å; L409-L432 HydrophobicContact CG-CD2 4.49Å; L409-N435 PolarHBondContact O-ND2 2.92Å
410	A	98.8	Very high	97.4	Very high	3 Å²	3	43 Å²	43	3%	0.025	23%	0.231	C	C	.	.			trans	-61.8	158.4	-176.5	0	0	0	0	0	112.8	K387 D388 N408 N412 I431 S433	K387-A410 CarbonylContact C-O 3.15Å; K387-A410 WeakPolarHBondContact CA-O 3.38Å; K387-A410 HydrophobicContact CB-CB 4.46Å; K387-A410 HydrophobicContact CD-CB 4.16Å; K387-A410 HydrophobicContact CG-CB 4.01Å; D388-A410 PolarHBondContact N-O 2.95Å; N408-A410 VanDerWaalsContact OD1-CB 3.3Å; N408-A410 WeakPolarHBondContact OD1-CB 3.23Å; N408-A410 PolarHBondContact OD1-N 2.94Å; A410-N412 PolarHBondContact O-ND2 3.02Å; A410-I431 HydrophobicContact CB-CG2 3.92Å; A410-S433 CarbonylContact C-O 3.23Å; A410-S433 WeakPolarHBondContact CA-O 3.12Å; A410-S433 WeakPolarHBondContact CB-O 3.41Å; A410-S433 WeakPolarHBondContact CB-OG 3.26Å
411	T	98.6	Very high	97.5	Very high	45 Å²	45	39.3 Å²	39.3	28%	0.276	21%	0.208	S	C	.	.	S	Bend	trans	53.7	62.3	176.9	-43.1	0	0	0	0	111.1	D388 N389 S433 N434	D388-T411 WeakPolarHBondContact CA-O 3.5Å; D388-T411 HydrophobicContact CB-CG2 4.29Å; D388-T411 PolarHBondContact N-O 2.99Å; N389-T411 PolarHBondContact N-O 3.48Å; N389-T411 VanDerWaalsContact N-O 3.15Å; T411-S433 PolarHBondContact N-O 2.89Å; T411-N434 CarbonylContact C-O 3.53Å; T411-N434 WeakPolarHBondContact CA-O 3.25Å; T411-N434 PolarHBondContact N-O 3.17Å; T411-N434 VanDerWaalsContact N-O 3.13Å
412	N	98.8	Very high	97.5	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.048	22%	0.219	C	C	.	.	S	Bend	trans	-139.2	-170.9	-179.2	-88.3	-80.2	0	0	0	110.3	M386 N389 Q390 L391 L409 A410 L414 N434 N435	M386-N412 PolarHBondContact O-ND2 3.09Å; N389-N412 WeakPolarHBondContact CA-OD1 3.3Å; N389-N412 WeakPolarHBondContact CB-OD1 3.19Å; N389-N412 PolarHBondContact O-OD1 3.16Å; Q390-N412 PolarHBondContact N-OD1 2.96Å; L391-N412 HydrophobicContact CB-CB 4.24Å; L391-N412 WeakPolarHBondContact CB-OD1 3.49Å; L391-N412 VanDerWaalsContact CG-OD1 3.31Å; L391-N412 WeakPolarHBondContact CG-OD1 3.21Å; L391-N412 PolarHBondContact N-OD1 2.91Å; L409-N412 PolarHBondContact O-ND2 2.96Å; A410-N412 PolarHBondContact O-ND2 3.02Å; N412-L414 HydrophobicContact CB-CG 4.33Å; N412-N434 PolarHBondContact N-O 3.38Å; N412-N435 WeakPolarHBondContact CA-OD1 3.38Å; N412-N435 WeakPolarHBondContact CB-OD1 3.43Å; N412-N435 PolarHBondContact O-OD1 3Å
413	Q	98.3	Very high	97.6	Very high	91 Å²	91	38.1 Å²	38.1	43%	0.425	21%	0.207	S	C	.	.			trans	-114.2	27.5	-176.6	-60.1	175.8	38.5	0	0	111.6	L391 T392 T415	L391-Q413 CarbonylContact O-C 3.11Å; L391-Q413 VanDerWaalsContact O-CA 3.28Å; L391-Q413 WeakPolarHBondContact O-CA 3.48Å; L391-Q413 PolarHBondContact O-N 2.87Å; T392-Q413 HydrophobicContact CG2-CB 4.32Å; Q413-T415 PolarHBondContact O-N 2.96Å
414	L	98.5	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.			trans	-70.8	124.2	-176.2	-60.7	174.3	0	0	0	110.3	L391 L394 L409 N412 I417 L432 N435 L436 L437	L391-L414 HydrophobicContact CB-CD2 4.04Å; L391-L414 PolarHBondContact O-N 2.98Å; L394-L414 HydrophobicContact CG-CD2 4.37Å; L409-L414 HydrophobicContact CB-CD1 3.97Å; L409-L414 HydrophobicContact CD1-CD1 3.97Å; N412-L414 HydrophobicContact CB-CG 4.33Å; L414-I417 HydrophobicContact CD1-CD1 4.21Å; L414-L432 HydrophobicContact CD1-CD2 4.44Å; L414-N435 HydrophobicContact CB-CB 4.48Å; L414-N435 VanDerWaalsContact CB-OD1 3.26Å; L414-N435 WeakPolarHBondContact CB-OD1 3.5Å; L414-N435 WeakPolarHBondContact CG-OD1 3.36Å; L414-N435 PolarHBondContact N-OD1 3.01Å; L414-L436 CarbonylContact O-C 3.22Å; L414-L436 VanDerWaalsContact O-CA 3.29Å; L414-L436 WeakPolarHBondContact O-CA 3.41Å; L414-L436 WeakPolarHBondContact O-CB 3.29Å; L414-L436 PolarHBondContact O-N 3.19Å; L414-L437 HydrophobicContact CB-CD2 4.15Å; L414-L437 PolarHBondContact O-N 3.04Å
415	T	97.7	Very high	97.5	Very high	82 Å²	82	40.6 Å²	40.6	50%	0.503	22%	0.221	S	C	.	.			trans	-97.7	-18.6	178.4	51.7	0	0	0	0	113.5	Q413 L436	Q413-T415 PolarHBondContact O-N 2.96Å; T415-L436 HydrophobicContact CG2-CB 4.08Å; T415-L436 HydrophobicContact CG2-CD1 4.46Å
416	K	97.1	Very high	97.5	Very high	145 Å²	145	40.1 Å²	40.1	63%	0.63	22%	0.219	S	C	*	.			trans	-156.3	153.9	178.5	62.5	179	-177.2	175.2	0	111.3
417	I	97.6	Very high	97.5	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.067	21%	0.208	C	C	.	.			trans	-105.3	135.9	165.7	-54	-57.7	0	0	0	108.3	L394 F398 L414 V421 L432 L437 P441	L394-I417 HydrophobicContact CD1-CD1 3.95Å; L394-I417 HydrophobicContact CD1-CG2 4.47Å; F398-I417 HydrophobicContact CE1-CG2 4.23Å; L414-I417 HydrophobicContact CD1-CD1 4.21Å; I417-V421 HydrophobicContact CG2-CB 3.96Å; I417-V421 HydrophobicContact CG2-CG1 4.43Å; I417-V421 HydrophobicContact CG2-CG2 4.12Å; I417-L432 HydrophobicContact CD1-CD1 4.25Å; I417-L432 HydrophobicContact CD1-CD2 3.73Å; I417-L432 HydrophobicContact CG1-CD1 4.08Å; I417-L432 HydrophobicContact CG1-CD2 4.46Å; I417-L437 HydrophobicContact CD1-CD1 4.41Å; I417-L437 HydrophobicContact CD1-CD2 4.08Å; I417-L437 HydrophobicContact CG1-CD1 4.14Å; I417-L437 HydrophobicContact CG1-CD2 4Å; I417-P441 HydrophobicContact CB-CG 4.06Å; I417-P441 HydrophobicContact CG2-CG 4.12Å
418	P	96.2	Very high	97.5	Very high	32 Å²	32	40 Å²	40	21%	0.208	22%	0.219	C	C	.	.			trans	-66	151.4	176.9	-20.5	33	0	0	0	113.3	L394 F398 D420 V421	L394-P418 HydrophobicContact CB-CG 4.22Å; F398-P418 HydrophobicContact CD1-CG 4.3Å; P418-D420 HydrophobicContact CB-CB 4.38Å; P418-D420 PolarHBondContact O-N 2.81Å; P418-V421 WeakPolarHBondContact O-CB 3.28Å; P418-V421 WeakPolarHBondContact O-CG1 3.45Å; P418-V421 PolarHBondContact O-N 2.98Å
419	E	95.1	Very high	97.5	Very high	92 Å²	92	40.3 Å²	40.3	43%	0.43	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-60	-25.5	171.5	-70.2	-65.4	160.3	0	0	112.9	V421 S422 P441 H442 G443	E419-V421 PolarHBondContact O-N 3.34Å; E419-S422 PolarHBondContact O-N 3.44Å; E419-S422 VanDerWaalsContact O-N 3.17Å; E419-S422 PolarHBondContact O-OG 2.88Å; E419-P441 HydrophobicContact CG-CB 4.17Å; E419-P441 WeakPolarHBondContact OE1-CA 3.28Å; E419-P441 VanDerWaalsContact OE1-CB 3.22Å; E419-P441 WeakPolarHBondContact OE1-CB 3.35Å; E419-P441 WeakPolarHBondContact OE2-CB 3.06Å; E419-H442 IonicContact OE1-CD2 3.51Å; E419-H442 PolarHBondContact OE1-N 2.84Å; E419-H442 PolarHBondContact OE2-N 3.33Å; E419-H442 VanDerWaalsContact OE2-N 3.15Å; E419-G443 PolarHBondContact OE2-N 3.13Å
420	D	94.2	Very high	97.5	Very high	80 Å²	80	40.4 Å²	40.4	43%	0.428	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-61.8	-8.7	173.4	-53.2	-51.1	0	0	0	113.3	G399 P418 S422 G423	G399-D420 WeakPolarHBondContact CA-O 3.37Å; P418-D420 HydrophobicContact CB-CB 4.38Å; P418-D420 PolarHBondContact O-N 2.81Å; D420-S422 PolarHBondContact O-N 2.78Å; D420-G423 PolarHBondContact O-N 2.96Å
421	V	97	Very high	97.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-50.3	-30.2	167.7	71.1	0	0	0	0	112.2	F398 I417 P418 E419 G423 L424 P441 L444 L447	F398-V421 HydrophobicContact CD1-CB 4.47Å; F398-V421 HydrophobicContact CE1-CB 3.77Å; F398-V421 HydrophobicContact CE1-CG2 3.85Å; F398-V421 HydrophobicContact CZ-CG2 4.35Å; I417-V421 HydrophobicContact CG2-CB 3.96Å; I417-V421 HydrophobicContact CG2-CG1 4.43Å; I417-V421 HydrophobicContact CG2-CG2 4.12Å; P418-V421 WeakPolarHBondContact O-CB 3.28Å; P418-V421 WeakPolarHBondContact O-CG1 3.45Å; P418-V421 PolarHBondContact O-N 2.98Å; E419-V421 PolarHBondContact O-N 3.34Å; V421-G423 PolarHBondContact O-N 2.94Å; V421-L424 PolarHBondContact O-N 3.01Å; V421-P441 HydrophobicContact CG1-CB 4.44Å; V421-P441 HydrophobicContact CG1-CG 3.69Å; V421-L444 HydrophobicContact CG2-CD1 4.34Å; V421-L447 HydrophobicContact CG2-CD1 4.14Å; V421-L447 WeakPolarHBondContact O-CD2 3.23Å
422	S	96.2	Very high	97.5	Very high	39 Å²	39	39.1 Å²	39.1	27%	0.273	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-54.7	-20.5	174.2	53.3	0	0	0	0	114.9	E419 D420 G443	E419-S422 PolarHBondContact O-N 3.44Å; E419-S422 VanDerWaalsContact O-N 3.17Å; E419-S422 PolarHBondContact O-OG 2.88Å; D420-S422 PolarHBondContact O-N 2.78Å; S422-G443 WeakPolarHBondContact CA-O 3.36Å; S422-G443 WeakPolarHBondContact CB-O 3.35Å
423	G	96.6	Very high	97.5	Very high	20 Å²	20	39.4 Å²	39.4	21%	0.206	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-76.5	-15.1	174.9	0	0	0	0	0	115.3	G399 T402 D420 V421 V425	G399-G423 WeakPolarHBondContact O-CA 3.41Å; T402-G423 WeakPolarHBondContact CG2-O 3.41Å; D420-G423 PolarHBondContact O-N 2.96Å; V421-G423 PolarHBondContact O-N 2.94Å; G423-V425 PolarHBondContact O-N 3.25Å
424	L	97.5	Very high	97.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.			trans	-80.1	50.6	179.6	-75.6	64.8	0	0	0	111.4	F398 W401 L407 V421 S426 L427 L447	F398-L424 HydrophobicContact CD1-CD1 4.32Å; F398-L424 HydrophobicContact CE1-CD1 4.13Å; F398-L424 HydrophobicContact CE1-CD2 4.29Å; F398-L424 HydrophobicContact CE2-CD1 4.4Å; F398-L424 HydrophobicContact CE2-CD2 3.87Å; F398-L424 HydrophobicContact CZ-CD1 4.16Å; F398-L424 HydrophobicContact CZ-CD2 3.59Å; F398-L424 VanDerWaalsContact O-CD1 3.3Å; F398-L424 WeakPolarHBondContact O-CD1 3.44Å; W401-L424 HydrophobicContact CB-CD1 4.39Å; W401-L424 HydrophobicContact CB-CG 4.31Å; L407-L424 HydrophobicContact CD2-CD2 3.82Å; V421-L424 PolarHBondContact O-N 3.01Å; L424-S426 PolarHBondContact O-N 2.6Å; L424-L427 HydrophobicContact CB-CB 4.23Å; L424-L427 HydrophobicContact CB-CD2 4.46Å; L424-L427 HydrophobicContact CD2-CD2 4.16Å; L424-L427 VanDerWaalsContact O-CB 3.26Å; L424-L427 WeakPolarHBondContact O-CB 3.38Å; L424-L427 PolarHBondContact O-N 3.41Å; L424-L447 HydrophobicContact CB-CD2 3.92Å; L424-L447 VanDerWaalsContact O-CD2 3.26Å; L424-L447 WeakPolarHBondContact O-CD2 3.39Å
425	V	96.1	Very high	97.5	Very high	79 Å²	79	38.5 Å²	38.5	48%	0.479	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-9.7	-171.3	-62	0	0	0	0	115.8	G423	G423-V425 PolarHBondContact O-N 3.25Å
426	S	97.8	Very high	97.6	Very high	30 Å²	30	37.8 Å²	37.8	21%	0.21	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-3.9	176.4	-59.4	0	0	0	0	114	T402 M404 L424 E428	T402-S426 VanDerWaalsContact O-CB 3.23Å; T402-S426 WeakPolarHBondContact O-CB 3.44Å; T402-S426 PolarHBondContact O-OG 3.17Å; M404-S426 CarbonylContact O-C 3.4Å; M404-S426 WeakPolarHBondContact O-CB 3.46Å; L424-S426 PolarHBondContact O-N 2.6Å; S426-E428 PolarHBondContact O-N 3.35Å
427	L	98.6	Very high	97.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.176	C	C	.	.			trans	-70.6	125.1	-169.6	-157.6	71.4	0	0	0	111.9	M404 L407 L424 L430 L447 K449 L450	M404-L427 HydrophobicContact CB-CD1 4.1Å; M404-L427 HydrophobicContact CG-CD1 3.79Å; M404-L427 WeakPolarHBondContact O-CA 3.32Å; M404-L427 PolarHBondContact O-N 2.81Å; M404-L427 VanDerWaalsContact O-N 3.14Å; L407-L427 HydrophobicContact CB-CD1 3.76Å; L424-L427 HydrophobicContact CB-CB 4.23Å; L424-L427 HydrophobicContact CB-CD2 4.46Å; L424-L427 HydrophobicContact CD2-CD2 4.16Å; L424-L427 VanDerWaalsContact O-CB 3.26Å; L424-L427 WeakPolarHBondContact O-CB 3.38Å; L424-L427 PolarHBondContact O-N 3.41Å; L427-L430 HydrophobicContact CD2-CB 3.82Å; L427-L430 HydrophobicContact CD2-CD1 4.19Å; L427-L430 HydrophobicContact CD2-CD2 4.13Å; L427-L430 HydrophobicContact CD2-CG 4.26Å; L427-L447 HydrophobicContact CB-CD2 4.36Å; L427-L447 HydrophobicContact CD2-CD1 4.07Å; L427-K449 CarbonylContact O-C 3.4Å; L427-L450 HydrophobicContact CB-CD1 4.41Å; L427-L450 HydrophobicContact CD2-CD1 4.13Å; L427-L450 HydrophobicContact CG-CD1 4.08Å; L427-L450 WeakPolarHBondContact O-CA 3.49Å; L427-L450 PolarHBondContact O-N 3.32Å
428	E	98.8	Very high	97.7	Very high	52 Å²	52	35.5 Å²	35.5	24%	0.243	20%	0.196	C	C	.	.	S	Bend	trans	-107.6	-28.9	175.8	-63.8	-168.7	174.8	0	0	111.9	V405 S426 K449 R451 E452	V405-E428 HydrophobicContact CG1-CB 4Å; V405-E428 HydrophobicContact CG1-CG 3.97Å; V405-E428 PolarHBondContact O-N 2.89Å; S426-E428 PolarHBondContact O-N 3.35Å; E428-K449 HydrophobicContact CG-CB 4.22Å; E428-R451 VanDerWaalsContact CD-NH2 3.32Å; E428-R451 PolarHBondContact O-N 3Å; E428-R451 IonicContact OE1-CZ 3.69Å; E428-R451 IonicContact OE1-NH1 3.29Å; E428-R451 IonicContact OE1-NH2 3.78Å; E428-R451 PolarHBondContact OE1-NH2 2.86Å; E428-R451 IonicContact OE2-CZ 3.61Å; E428-R451 VanDerWaalsContact OE2-CZ 3.24Å; E428-R451 IonicContact OE2-NH1 3.65Å; E428-R451 PolarHBondContact OE2-NH1 2.74Å; E428-R451 IonicContact OE2-NH2 2.72Å; E428-R451 PolarHBondContact OE2-NH2 2.89Å; E428-E452 PolarHBondContact O-N 2.81Å; E428-E452 VanDerWaalsContact O-N 3.09Å
429	V	98.9	Very high	97.7	Very high	33 Å²	33	40.1 Å²	40.1	20%	0.2	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.9	-178.5	179.8	0	0	0	0	110.2	V405 E406 L407 I431 E452	V405-V429 PolarHBondContact O-N 2.62Å; E406-V429 HydrophobicContact CB-CB 4.43Å; E406-V429 HydrophobicContact CG-CB 4.17Å; E406-V429 HydrophobicContact CG-CG1 4.27Å; L407-V429 PolarHBondContact N-O 3Å; V429-I431 HydrophobicContact CG1-CD1 3.68Å; V429-I431 HydrophobicContact CG1-CG1 3.93Å; V429-E452 HydrophobicContact CG1-CB 4.24Å; V429-E452 HydrophobicContact CG1-CG 4.43Å; V429-E452 HydrophobicContact CG2-CB 4.27Å
430	L	98.9	Very high	97.9	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	110.2	176.4	179.2	53.2	0	0	0	110.2	L407 L427 L432 L444 L447 L450 E452 L453 D454	L407-L430 HydrophobicContact CB-CD1 4.22Å; L407-L430 HydrophobicContact CD2-CD1 4.05Å; L407-L430 HydrophobicContact CG-CD1 4.16Å; L427-L430 HydrophobicContact CD2-CB 3.82Å; L427-L430 HydrophobicContact CD2-CD1 4.19Å; L427-L430 HydrophobicContact CD2-CD2 4.13Å; L427-L430 HydrophobicContact CD2-CG 4.26Å; L430-L432 HydrophobicContact CD1-CD1 4.12Å; L430-L432 HydrophobicContact CD1-CD2 4.16Å; L430-L432 HydrophobicContact CD1-CG 3.85Å; L430-L432 HydrophobicContact CD2-CD1 3.95Å; L430-L432 HydrophobicContact CG-CD1 3.91Å; L430-L432 HydrophobicContact CG-CG 3.96Å; L430-L444 HydrophobicContact CD2-CD1 3.89Å; L430-L447 HydrophobicContact CD2-CD1 4.18Å; L430-L450 HydrophobicContact CB-CD1 3.77Å; L430-L450 HydrophobicContact CB-CD2 4.45Å; L430-E452 PolarHBondContact N-O 2.74Å; L430-L453 HydrophobicContact CB-CD1 4.16Å; L430-L453 HydrophobicContact CD2-CD1 4.02Å; L430-L453 HydrophobicContact CG-CD1 4.04Å; L430-L453 WeakPolarHBondContact O-CA 3.36Å; L430-D454 PolarHBondContact O-N 3.29Å
431	I	98.9	Very high	98	Very high	20 Å²	20	33 Å²	33	10%	0.103	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.5	179.1	-45.4	-57.7	0	0	0	109	L407 N408 L409 A410 V429 S433 E452 D454	L407-I431 PolarHBondContact O-N 2.95Å; N408-I431 HydrophobicContact CB-CB 4.18Å; N408-I431 HydrophobicContact CB-CG1 4.42Å; L409-I431 PolarHBondContact N-O 2.79Å; A410-I431 HydrophobicContact CB-CG2 3.92Å; V429-I431 HydrophobicContact CG1-CD1 3.68Å; V429-I431 HydrophobicContact CG1-CG1 3.93Å; I431-S433 WeakPolarHBondContact CG2-OG 3.12Å; I431-E452 HydrophobicContact CD1-CG 4.09Å; I431-D454 HydrophobicContact CD1-CB 3.74Å; I431-D454 HydrophobicContact CG2-CB 4.05Å; I431-D454 WeakPolarHBondContact CG2-OD2 3.22Å
432	L	98.8	Very high	97.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.203	C	C	.	.			trans	-127.1	10.9	-176	-71.3	173.9	0	0	0	112.2	L409 L414 I417 L430 N435 L437 D454 L455 N458	L409-L432 HydrophobicContact CB-CD2 4.1Å; L409-L432 HydrophobicContact CD1-CD2 3.9Å; L409-L432 HydrophobicContact CG-CD2 4.49Å; L414-L432 HydrophobicContact CD1-CD2 4.44Å; I417-L432 HydrophobicContact CD1-CD1 4.25Å; I417-L432 HydrophobicContact CD1-CD2 3.73Å; I417-L432 HydrophobicContact CG1-CD1 4.08Å; I417-L432 HydrophobicContact CG1-CD2 4.46Å; L430-L432 HydrophobicContact CD1-CD1 4.12Å; L430-L432 HydrophobicContact CD1-CD2 4.16Å; L430-L432 HydrophobicContact CD1-CG 3.85Å; L430-L432 HydrophobicContact CD2-CD1 3.95Å; L430-L432 HydrophobicContact CG-CD1 3.91Å; L430-L432 HydrophobicContact CG-CG 3.96Å; L432-N435 PolarHBondContact O-ND2 3.28Å; L432-L437 HydrophobicContact CB-CD1 4.15Å; L432-L437 HydrophobicContact CD1-CD1 4.1Å; L432-D454 WeakPolarHBondContact CA-O 3.35Å; L432-D454 WeakPolarHBondContact CB-O 3.47Å; L432-D454 PolarHBondContact N-O 2.85Å; L432-L455 HydrophobicContact CB-CD2 3.78Å; L432-L455 HydrophobicContact CD1-CD2 3.79Å; L432-L455 HydrophobicContact CG-CD2 4.43Å; L432-N458 PolarHBondContact O-ND2 3.49Å
433	S	98.8	Very high	97.9	Very high	14 Å²	14	36.8 Å²	36.8	10%	0.098	19%	0.193	C	C	.	.			trans	-59.8	153.8	-176.5	37.5	0	0	0	0	113.9	A410 T411 I431 N435 D454 E456	A410-S433 CarbonylContact C-O 3.23Å; A410-S433 WeakPolarHBondContact CA-O 3.12Å; A410-S433 WeakPolarHBondContact CB-O 3.41Å; A410-S433 WeakPolarHBondContact CB-OG 3.26Å; T411-S433 PolarHBondContact N-O 2.89Å; I431-S433 WeakPolarHBondContact CG2-OG 3.12Å; S433-N435 PolarHBondContact O-ND2 3.12Å; S433-D454 WeakPolarHBondContact CB-OD1 3.27Å; S433-D454 WeakPolarHBondContact CB-OD2 3.43Å; S433-D454 PolarHBondContact OG-OD2 3.07Å; S433-E456 CarbonylContact C-O 3.5Å; S433-E456 WeakPolarHBondContact CA-O 3.16Å; S433-E456 WeakPolarHBondContact CB-O 3.28Å
434	N	98.8	Very high	97.9	Very high	67 Å²	67	36 Å²	36	36%	0.358	18%	0.184	S	C	.	.	S	Bend	trans	51.3	68.6	-177.1	-163.7	-38.8	0	0	0	112.1	T411 N412 E456 E457	T411-N434 CarbonylContact C-O 3.53Å; T411-N434 WeakPolarHBondContact CA-O 3.25Å; T411-N434 PolarHBondContact N-O 3.17Å; T411-N434 VanDerWaalsContact N-O 3.13Å; N412-N434 PolarHBondContact N-O 3.38Å; N434-E456 PolarHBondContact N-O 3.14Å; N434-E457 WeakPolarHBondContact CA-O 3.39Å; N434-E457 HydrophobicContact CB-CB 4.08Å; N434-E457 WeakPolarHBondContact CB-OE2 3.23Å; N434-E457 VanDerWaalsContact CG-OE2 3.24Å; N434-E457 PolarHBondContact N-O 2.9Å; N434-E457 PolarHBondContact ND2-OE2 3.04Å
435	N	98.8	Very high	97.9	Very high	6 Å²	6	36 Å²	36	3%	0.032	19%	0.185	C	C	.	.	S	Bend	trans	-140.8	-171.5	177.9	-89.5	-79.1	0	0	0	109.9	L409 N412 L414 L432 S433 L437 E457 N458	L409-N435 PolarHBondContact O-ND2 2.92Å; N412-N435 WeakPolarHBondContact CA-OD1 3.38Å; N412-N435 WeakPolarHBondContact CB-OD1 3.43Å; N412-N435 PolarHBondContact O-OD1 3Å; L414-N435 HydrophobicContact CB-CB 4.48Å; L414-N435 VanDerWaalsContact CB-OD1 3.26Å; L414-N435 WeakPolarHBondContact CB-OD1 3.5Å; L414-N435 WeakPolarHBondContact CG-OD1 3.36Å; L414-N435 PolarHBondContact N-OD1 3.01Å; L432-N435 PolarHBondContact O-ND2 3.28Å; S433-N435 PolarHBondContact O-ND2 3.12Å; N435-L437 HydrophobicContact CB-CG 4.25Å; N435-E457 PolarHBondContact N-O 3.21Å; N435-E457 VanDerWaalsContact N-O 3.12Å; N435-N458 WeakPolarHBondContact CB-OD1 3.46Å; N435-N458 PolarHBondContact O-OD1 3.14Å
436	L	98.4	Very high	97.9	Very high	66 Å²	66	36.1 Å²	36.1	35%	0.346	18%	0.183	S	C	.	.			trans	-113.6	25.1	-176	-56.9	175.6	0	0	0	112	L414 T415 K438 K459	L414-L436 CarbonylContact O-C 3.22Å; L414-L436 VanDerWaalsContact O-CA 3.29Å; L414-L436 WeakPolarHBondContact O-CA 3.41Å; L414-L436 WeakPolarHBondContact O-CB 3.29Å; L414-L436 PolarHBondContact O-N 3.19Å; T415-L436 HydrophobicContact CG2-CB 4.08Å; T415-L436 HydrophobicContact CG2-CD1 4.46Å; L436-K438 PolarHBondContact O-N 3.06Å; L436-K459 HydrophobicContact CD2-CD 4.47Å
437	L	98.6	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.			trans	-69.4	125.1	-175.3	-57.5	176.8	0	0	0	110.8	L414 I417 L432 N435 L440 L455 N458 K459 L460	L414-L437 HydrophobicContact CB-CD2 4.15Å; L414-L437 PolarHBondContact O-N 3.04Å; I417-L437 HydrophobicContact CD1-CD1 4.41Å; I417-L437 HydrophobicContact CD1-CD2 4.08Å; I417-L437 HydrophobicContact CG1-CD1 4.14Å; I417-L437 HydrophobicContact CG1-CD2 4Å; L432-L437 HydrophobicContact CB-CD1 4.15Å; L432-L437 HydrophobicContact CD1-CD1 4.1Å; N435-L437 HydrophobicContact CB-CG 4.25Å; L437-L440 HydrophobicContact CD1-CD2 4.48Å; L437-L455 HydrophobicContact CD1-CD2 4.08Å; L437-N458 VanDerWaalsContact CB-OD1 3.24Å; L437-N458 WeakPolarHBondContact CB-OD1 3.49Å; L437-N458 VanDerWaalsContact CG-OD1 3.31Å; L437-N458 WeakPolarHBondContact CG-OD1 3.22Å; L437-N458 PolarHBondContact N-OD1 2.72Å; L437-N458 VanDerWaalsContact N-OD1 3.1Å; L437-K459 CarbonylContact O-C 3.32Å; L437-K459 VanDerWaalsContact O-CA 3.26Å; L437-K459 WeakPolarHBondContact O-CA 3.42Å; L437-K459 PolarHBondContact O-N 3.1Å; L437-L460 HydrophobicContact CB-CD2 4.08Å; L437-L460 PolarHBondContact O-N 3.42Å
438	K	97.9	Very high	97.8	Very high	110 Å²	110	43 Å²	43	48%	0.478	20%	0.204	S	C	.	.	S	Bend	trans	-93	-30.6	174.2	-75.7	178.1	149.6	-95.6	0	114.3	L436 K459 L460 E461	L436-K438 PolarHBondContact O-N 3.06Å; K438-K459 WeakPolarHBondContact CA-O 3.49Å; K438-K459 HydrophobicContact CG-CB 4.28Å; K438-L460 WeakPolarHBondContact O-CA 3.4Å; K438-E461 IonicContact NZ-OE1 2.76Å; K438-E461 PolarHBondContact NZ-OE1 3.24Å; K438-E461 PolarHBondContact O-N 2.96Å; K438-E461 VanDerWaalsContact O-N 3.17Å
439	K	97.7	Very high	97.7	Very high	130 Å²	130	44.9 Å²	44.9	57%	0.565	21%	0.211	S	C	*	.			trans	-149.7	155.3	-175.8	-61.3	-170.4	-179.8	-172	0	109.2
440	L	98.1	Very high	97.7	Very high	16 Å²	16	43.3 Å²	43.3	8%	0.084	20%	0.202	C	C	.	.			trans	-101.4	146.2	172.3	-56.7	172.3	0	0	0	110	L437 L444 L455 L460 L463 P464	L437-L440 HydrophobicContact CD1-CD2 4.48Å; L440-L444 HydrophobicContact CB-CD2 4.29Å; L440-L444 HydrophobicContact CD1-CD2 3.9Å; L440-L455 HydrophobicContact CD1-CD1 3.62Å; L440-L455 HydrophobicContact CD2-CD1 4.17Å; L440-L455 HydrophobicContact CD2-CD2 3.73Å; L440-L455 HydrophobicContact CG-CD1 4.49Å; L440-L460 HydrophobicContact CD1-CD1 4.43Å; L440-L460 HydrophobicContact CD2-CD2 4.09Å; L440-L460 HydrophobicContact CG-CD1 4.47Å; L440-L460 HydrophobicContact CG-CD2 4.03Å; L440-L463 HydrophobicContact CD1-CD2 3.87Å; L440-P464 HydrophobicContact CB-CG 4.05Å
441	P	96.9	Very high	97.7	Very high	7 Å²	7	47.5 Å²	47.5	5%	0.045	22%	0.217	C	C	.	.			trans	-68	151.1	173.7	28.8	-35.4	0	0	0	111.8	I417 E419 V421 G443 L444	I417-P441 HydrophobicContact CB-CG 4.06Å; I417-P441 HydrophobicContact CG2-CG 4.12Å; E419-P441 HydrophobicContact CG-CB 4.17Å; E419-P441 WeakPolarHBondContact OE1-CA 3.28Å; E419-P441 VanDerWaalsContact OE1-CB 3.22Å; E419-P441 WeakPolarHBondContact OE1-CB 3.35Å; E419-P441 WeakPolarHBondContact OE2-CB 3.06Å; V421-P441 HydrophobicContact CG1-CB 4.44Å; V421-P441 HydrophobicContact CG1-CG 3.69Å; P441-G443 VanDerWaalsContact C-N 3.28Å; P441-G443 PolarHBondContact O-N 3.26Å; P441-L444 VanDerWaalsContact O-CB 3.29Å; P441-L444 WeakPolarHBondContact O-CB 3.32Å; P441-L444 PolarHBondContact O-N 2.84Å
442	H	95.4	Very high	97.7	Very high	111 Å²	111	49 Å²	49	51%	0.514	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-66.5	-32.8	177.4	-64.2	-77.9	0	0	0	111.8	E419 L444 G445 E466	E419-H442 IonicContact OE1-CD2 3.51Å; E419-H442 PolarHBondContact OE1-N 2.84Å; E419-H442 PolarHBondContact OE2-N 3.33Å; E419-H442 VanDerWaalsContact OE2-N 3.15Å; H442-L444 PolarHBondContact O-N 3.14Å; H442-G445 PolarHBondContact O-N 3.38Å; H442-G445 VanDerWaalsContact O-N 3.16Å; H442-E466 HydrophobicContact CB-CG 4.22Å; H442-E466 IonicContact CE1-OE2 2.79Å; H442-E466 IonicContact CG-OE2 3.63Å; H442-E466 VanDerWaalsContact ND1-CD 3.32Å; H442-E466 IonicContact ND1-OE1 3.94Å; H442-E466 IonicContact ND1-OE2 3.78Å; H442-E466 PolarHBondContact ND1-OE2 3.05Å; H442-E466 WeakPolarHBondContact O-CB 3.38Å
443	G	95.8	Very high	97.7	Very high	7 Å²	7	49 Å²	49	7%	0.072	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.4	-14.8	175.3	0	0	0	0	0	114.9	E419 S422 P441 G445 N446	E419-G443 PolarHBondContact OE2-N 3.13Å; S422-G443 WeakPolarHBondContact CA-O 3.36Å; S422-G443 WeakPolarHBondContact CB-O 3.35Å; P441-G443 VanDerWaalsContact C-N 3.28Å; P441-G443 PolarHBondContact O-N 3.26Å; G443-G445 PolarHBondContact O-N 2.96Å; G443-N446 WeakPolarHBondContact O-CB 3.26Å; G443-N446 PolarHBondContact O-N 3.22Å; G443-N446 VanDerWaalsContact O-N 3.15Å
444	L	97.1	Very high	97.7	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57.2	-36.4	173	-168	76.3	0	0	0	111.8	V421 L430 L440 P441 H442 N446 L447 L453 I467 L470	V421-L444 HydrophobicContact CG2-CD1 4.34Å; L430-L444 HydrophobicContact CD2-CD1 3.89Å; L440-L444 HydrophobicContact CB-CD2 4.29Å; L440-L444 HydrophobicContact CD1-CD2 3.9Å; P441-L444 VanDerWaalsContact O-CB 3.29Å; P441-L444 WeakPolarHBondContact O-CB 3.32Å; P441-L444 PolarHBondContact O-N 2.84Å; H442-L444 PolarHBondContact O-N 3.14Å; L444-N446 PolarHBondContact O-N 2.99Å; L444-L447 HydrophobicContact CD1-CD1 3.66Å; L444-L447 HydrophobicContact CG-CD1 4.39Å; L444-L447 WeakPolarHBondContact O-CB 3.26Å; L444-L447 WeakPolarHBondContact O-CG 3.35Å; L444-L447 PolarHBondContact O-N 3.45Å; L444-L453 HydrophobicContact CD2-CD2 4Å; L444-I467 HydrophobicContact CD2-CD1 4.17Å; L444-L470 WeakPolarHBondContact O-CD2 3.4Å
445	G	96	Very high	97.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.01	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-64.3	-10.3	179.1	0	0	0	0	0	115.1	H442 G443 L447 E466 Y469	H442-G445 PolarHBondContact O-N 3.38Å; H442-G445 VanDerWaalsContact O-N 3.16Å; G443-G445 PolarHBondContact O-N 2.96Å; G445-L447 VanDerWaalsContact C-N 3.33Å; G445-E466 VanDerWaalsContact CA-O 3.28Å; G445-E466 WeakPolarHBondContact CA-O 3.4Å; G445-Y469 VanDerWaalsContact O-CB 3.29Å; G445-Y469 WeakPolarHBondContact O-CB 3.35Å
446	N	96.6	Very high	97.7	Very high	81 Å²	81	49.2 Å²	49.2	43%	0.433	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-82.2	-8.9	174.3	-71.2	-25.4	0	0	0	113.5	G443 L444 R448	G443-N446 WeakPolarHBondContact O-CB 3.26Å; G443-N446 PolarHBondContact O-N 3.22Å; G443-N446 VanDerWaalsContact O-N 3.15Å; L444-N446 PolarHBondContact O-N 2.99Å; N446-R448 PolarHBondContact O-N 3.04Å
447	L	97.8	Very high	97.7	Very high	1 Å²	1	50 Å²	50	1%	0.005	22%	0.223	C	C	.	.			trans	-75.5	60.3	177.4	-58.8	-178	0	0	0	112.1	V421 L424 L427 L430 L444 G445 K449 L450 L470	V421-L447 HydrophobicContact CG2-CD1 4.14Å; V421-L447 WeakPolarHBondContact O-CD2 3.23Å; L424-L447 HydrophobicContact CB-CD2 3.92Å; L424-L447 VanDerWaalsContact O-CD2 3.26Å; L424-L447 WeakPolarHBondContact O-CD2 3.39Å; L427-L447 HydrophobicContact CB-CD2 4.36Å; L427-L447 HydrophobicContact CD2-CD1 4.07Å; L430-L447 HydrophobicContact CD2-CD1 4.18Å; L444-L447 HydrophobicContact CD1-CD1 3.66Å; L444-L447 HydrophobicContact CG-CD1 4.39Å; L444-L447 WeakPolarHBondContact O-CB 3.26Å; L444-L447 WeakPolarHBondContact O-CG 3.35Å; L444-L447 PolarHBondContact O-N 3.45Å; G445-L447 VanDerWaalsContact C-N 3.33Å; L447-K449 PolarHBondContact O-N 3.26Å; L447-L450 HydrophobicContact CB-CB 4.07Å; L447-L450 HydrophobicContact CD1-CD1 4.46Å; L447-L450 HydrophobicContact CD1-CD2 4.21Å; L447-L450 VanDerWaalsContact O-CB 3.22Å; L447-L450 WeakPolarHBondContact O-CB 3.35Å; L447-L450 PolarHBondContact O-N 3.38Å; L447-L470 HydrophobicContact CB-CD2 4.04Å; L447-L470 WeakPolarHBondContact O-CD2 3.23Å
448	R	96.4	Very high	97.8	Very high	173 Å²	173	50.4 Å²	50.4	65%	0.653	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.7	-167.8	-65.8	-175	-177.9	-168.4	0.8	116.1	N446	N446-R448 PolarHBondContact O-N 3.04Å
449	K	98.3	Very high	97.8	Very high	92 Å²	92	49.3 Å²	49.3	40%	0.4	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.4	175.1	-62.6	-174.3	-175.5	174.7	0	113.8	L427 E428 L447 R451	L427-K449 CarbonylContact O-C 3.4Å; E428-K449 HydrophobicContact CG-CB 4.22Å; L447-K449 PolarHBondContact O-N 3.26Å; K449-R451 WeakPolarHBondContact O-CG 3.44Å; K449-R451 PolarHBondContact O-N 2.92Å
450	L	98.7	Very high	97.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.194	C	C	.	.			trans	-65.2	121.6	-173	-161.6	73.3	0	0	0	110.2	L427 L430 L447 L453 L470 D472 L473	L427-L450 HydrophobicContact CB-CD1 4.41Å; L427-L450 HydrophobicContact CD2-CD1 4.13Å; L427-L450 HydrophobicContact CG-CD1 4.08Å; L427-L450 WeakPolarHBondContact O-CA 3.49Å; L427-L450 PolarHBondContact O-N 3.32Å; L430-L450 HydrophobicContact CB-CD1 3.77Å; L430-L450 HydrophobicContact CB-CD2 4.45Å; L447-L450 HydrophobicContact CB-CB 4.07Å; L447-L450 HydrophobicContact CD1-CD1 4.46Å; L447-L450 HydrophobicContact CD1-CD2 4.21Å; L447-L450 VanDerWaalsContact O-CB 3.22Å; L447-L450 WeakPolarHBondContact O-CB 3.35Å; L447-L450 PolarHBondContact O-N 3.38Å; L450-L453 HydrophobicContact CD2-CB 3.91Å; L450-L453 HydrophobicContact CD2-CD1 4.3Å; L450-L453 HydrophobicContact CD2-CD2 4.3Å; L450-L453 HydrophobicContact CD2-CG 4.4Å; L450-L470 HydrophobicContact CB-CD2 4.39Å; L450-L470 HydrophobicContact CD2-CD1 4.07Å; L450-D472 CarbonylContact O-C 3.31Å; L450-D472 VanDerWaalsContact O-C 3.27Å; L450-L473 HydrophobicContact CB-CD1 4.4Å; L450-L473 HydrophobicContact CD2-CD1 4.17Å; L450-L473 HydrophobicContact CG-CD1 4.09Å; L450-L473 WeakPolarHBondContact O-CA 3.33Å; L450-L473 PolarHBondContact O-N 3.06Å; L450-L473 VanDerWaalsContact O-N 3.12Å
451	R	98.7	Very high	97.8	Very high	91 Å²	91	45.6 Å²	45.6	34%	0.343	21%	0.205	S	C	.	.			trans	-105.6	-34.7	179.2	-59	-165.8	-172.5	118.3	21	112.4	E428 K449 Q474 K475	E428-R451 VanDerWaalsContact CD-NH2 3.32Å; E428-R451 PolarHBondContact O-N 3Å; E428-R451 IonicContact OE1-CZ 3.69Å; E428-R451 IonicContact OE1-NH1 3.29Å; E428-R451 IonicContact OE1-NH2 3.78Å; E428-R451 PolarHBondContact OE1-NH2 2.86Å; E428-R451 IonicContact OE2-CZ 3.61Å; E428-R451 VanDerWaalsContact OE2-CZ 3.24Å; E428-R451 IonicContact OE2-NH1 3.65Å; E428-R451 PolarHBondContact OE2-NH1 2.74Å; E428-R451 IonicContact OE2-NH2 2.72Å; E428-R451 PolarHBondContact OE2-NH2 2.89Å; K449-R451 WeakPolarHBondContact O-CG 3.44Å; K449-R451 PolarHBondContact O-N 2.92Å; R451-Q474 WeakPolarHBondContact O-CA 3.3Å; R451-Q474 PolarHBondContact O-N 2.74Å; R451-K475 PolarHBondContact O-N 3.1Å
452	E	98.9	Very high	97.8	Very high	53 Å²	53	47.8 Å²	47.8	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.3	178	-178.1	165.7	-168.2	0	0	110.6	E428 V429 L430 I431 K475	E428-E452 PolarHBondContact O-N 2.81Å; E428-E452 VanDerWaalsContact O-N 3.09Å; V429-E452 HydrophobicContact CG1-CB 4.24Å; V429-E452 HydrophobicContact CG1-CG 4.43Å; V429-E452 HydrophobicContact CG2-CB 4.27Å; L430-E452 PolarHBondContact N-O 2.74Å; I431-E452 HydrophobicContact CD1-CG 4.09Å; E452-K475 WeakPolarHBondContact CA-O 3.03Å; E452-K475 HydrophobicContact CB-CB 4.45Å; E452-K475 HydrophobicContact CG-CB 4.23Å; E452-K475 HydrophobicContact CG-CD 4.09Å; E452-K475 HydrophobicContact CG-CG 4.27Å; E452-K475 WeakPolarHBondContact OE1-CD 3.24Å; E452-K475 WeakPolarHBondContact OE1-CE 3.32Å; E452-K475 IonicContact OE1-NZ 3.87Å; E452-K475 PolarHBondContact OE1-NZ 3Å
453	L	98.9	Very high	97.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	108	172.4	178.4	56.2	0	0	0	108.6	L430 L444 L450 L455 I467 L470 L473 K475 L476 V477	L430-L453 HydrophobicContact CB-CD1 4.16Å; L430-L453 HydrophobicContact CD2-CD1 4.02Å; L430-L453 HydrophobicContact CG-CD1 4.04Å; L430-L453 WeakPolarHBondContact O-CA 3.36Å; L444-L453 HydrophobicContact CD2-CD2 4Å; L450-L453 HydrophobicContact CD2-CB 3.91Å; L450-L453 HydrophobicContact CD2-CD1 4.3Å; L450-L453 HydrophobicContact CD2-CD2 4.3Å; L450-L453 HydrophobicContact CD2-CG 4.4Å; L453-L455 HydrophobicContact CD1-CD1 3.98Å; L453-L455 HydrophobicContact CD1-CD2 4.48Å; L453-L455 HydrophobicContact CD1-CG 3.95Å; L453-L455 HydrophobicContact CD2-CD1 3.83Å; L453-L455 HydrophobicContact CG-CD1 3.75Å; L453-L455 HydrophobicContact CG-CG 4.08Å; L453-I467 HydrophobicContact CD2-CD1 3.87Å; L453-L470 HydrophobicContact CD2-CD1 4.39Å; L453-L473 HydrophobicContact CB-CD1 3.88Å; L453-K475 PolarHBondContact N-O 2.92Å; L453-L476 HydrophobicContact CB-CD1 4.12Å; L453-L476 HydrophobicContact CD2-CD1 3.93Å; L453-L476 HydrophobicContact CG-CD1 4.04Å; L453-L476 WeakPolarHBondContact O-CA 3.21Å; L453-V477 PolarHBondContact O-N 2.92Å
454	D	98.9	Very high	98	Very high	16 Å²	16	43.4 Å²	43.4	9%	0.086	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.1	175.1	176.1	18.5	0	0	0	110.3	L430 I431 L432 S433 E456 V477	L430-D454 PolarHBondContact O-N 3.29Å; I431-D454 HydrophobicContact CD1-CB 3.74Å; I431-D454 HydrophobicContact CG2-CB 4.05Å; I431-D454 WeakPolarHBondContact CG2-OD2 3.22Å; L432-D454 WeakPolarHBondContact CA-O 3.35Å; L432-D454 WeakPolarHBondContact CB-O 3.47Å; L432-D454 PolarHBondContact N-O 2.85Å; S433-D454 WeakPolarHBondContact CB-OD1 3.27Å; S433-D454 WeakPolarHBondContact CB-OD2 3.43Å; S433-D454 PolarHBondContact OG-OD2 3.07Å; D454-E456 VanDerWaalsContact OD1-CB 3.3Å; D454-E456 WeakPolarHBondContact OD1-CB 3.46Å; D454-E456 PolarHBondContact OD1-N 2.92Å; D454-V477 HydrophobicContact CB-CB 4.47Å
455	L	98.8	Very high	97.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.228	C	C	.	.			trans	-131.1	19.5	-178.3	-71.8	163.7	0	0	0	111.2	L432 L437 L440 L453 N458 L460 V477 L478 N481	L432-L455 HydrophobicContact CB-CD2 3.78Å; L432-L455 HydrophobicContact CD1-CD2 3.79Å; L432-L455 HydrophobicContact CG-CD2 4.43Å; L437-L455 HydrophobicContact CD1-CD2 4.08Å; L440-L455 HydrophobicContact CD1-CD1 3.62Å; L440-L455 HydrophobicContact CD2-CD1 4.17Å; L440-L455 HydrophobicContact CD2-CD2 3.73Å; L440-L455 HydrophobicContact CG-CD1 4.49Å; L453-L455 HydrophobicContact CD1-CD1 3.98Å; L453-L455 HydrophobicContact CD1-CD2 4.48Å; L453-L455 HydrophobicContact CD1-CG 3.95Å; L453-L455 HydrophobicContact CD2-CD1 3.83Å; L453-L455 HydrophobicContact CG-CD1 3.75Å; L453-L455 HydrophobicContact CG-CG 4.08Å; L455-N458 PolarHBondContact O-ND2 2.96Å; L455-L460 HydrophobicContact CB-CD1 4.04Å; L455-L460 HydrophobicContact CD1-CD1 4.02Å; L455-L460 HydrophobicContact CD2-CD1 4.29Å; L455-L460 HydrophobicContact CG-CD1 4.37Å; L455-V477 CarbonylContact C-O 3.47Å; L455-V477 WeakPolarHBondContact CA-O 3.36Å; L455-V477 WeakPolarHBondContact CB-O 3.23Å; L455-V477 PolarHBondContact N-O 3.09Å; L455-L478 HydrophobicContact CB-CD2 3.87Å; L455-L478 HydrophobicContact CD1-CD2 3.75Å; L455-L478 HydrophobicContact CG-CD2 4.48Å; L455-N481 PolarHBondContact O-ND2 3.26Å
456	E	98.7	Very high	98	Very high	75 Å²	75	50.8 Å²	50.8	35%	0.35	24%	0.238	S	C	.	.			trans	-53.5	152.1	177	177.3	164.3	-125	0	0	112.4	S433 N434 D454 N458 V477 T479	S433-E456 CarbonylContact C-O 3.5Å; S433-E456 WeakPolarHBondContact CA-O 3.16Å; S433-E456 WeakPolarHBondContact CB-O 3.28Å; N434-E456 PolarHBondContact N-O 3.14Å; D454-E456 VanDerWaalsContact OD1-CB 3.3Å; D454-E456 WeakPolarHBondContact OD1-CB 3.46Å; D454-E456 PolarHBondContact OD1-N 2.92Å; E456-N458 PolarHBondContact O-N 2.92Å; E456-N458 PolarHBondContact O-ND2 2.87Å; E456-V477 HydrophobicContact CB-CG1 3.97Å; E456-T479 CarbonylContact C-O 3.59Å; E456-T479 VanDerWaalsContact CA-O 3.25Å; E456-T479 WeakPolarHBondContact CA-O 3.46Å
457	E	98.6	Very high	98	Very high	83 Å²	83	47 Å²	47	39%	0.388	22%	0.217	S	C	.	.	S	Bend	trans	50.9	58.3	176.7	-71.6	-178.3	168.8	0	0	113	N434 N435 T479 N480	N434-E457 WeakPolarHBondContact CA-O 3.39Å; N434-E457 HydrophobicContact CB-CB 4.08Å; N434-E457 WeakPolarHBondContact CB-OE2 3.23Å; N434-E457 VanDerWaalsContact CG-OE2 3.24Å; N434-E457 PolarHBondContact N-O 2.9Å; N434-E457 PolarHBondContact ND2-OE2 3.04Å; N435-E457 PolarHBondContact N-O 3.21Å; N435-E457 VanDerWaalsContact N-O 3.12Å; E457-T479 PolarHBondContact N-O 3.31Å; E457-N480 VanDerWaalsContact CA-O 3.31Å; E457-N480 WeakPolarHBondContact CA-O 3.25Å; E457-N480 HydrophobicContact CG-CB 4.11Å; E457-N480 PolarHBondContact N-O 2.74Å
458	N	98.8	Very high	98	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.043	22%	0.219	C	C	.	.	S	Bend	trans	-128	-166.1	176.8	-90.1	-85.6	0	0	0	110.7	L432 N435 L437 L455 E456 L460 N480 N481	L432-N458 PolarHBondContact O-ND2 3.49Å; N435-N458 WeakPolarHBondContact CB-OD1 3.46Å; N435-N458 PolarHBondContact O-OD1 3.14Å; L437-N458 VanDerWaalsContact CB-OD1 3.24Å; L437-N458 WeakPolarHBondContact CB-OD1 3.49Å; L437-N458 VanDerWaalsContact CG-OD1 3.31Å; L437-N458 WeakPolarHBondContact CG-OD1 3.22Å; L437-N458 PolarHBondContact N-OD1 2.72Å; L437-N458 VanDerWaalsContact N-OD1 3.1Å; L455-N458 PolarHBondContact O-ND2 2.96Å; E456-N458 PolarHBondContact O-N 2.92Å; E456-N458 PolarHBondContact O-ND2 2.87Å; N458-L460 HydrophobicContact CB-CG 4.28Å; N458-N480 PolarHBondContact N-O 3.48Å; N458-N480 VanDerWaalsContact N-O 3.08Å; N458-N481 WeakPolarHBondContact CA-OD1 3.09Å; N458-N481 WeakPolarHBondContact CB-OD1 3.44Å
459	K	98.4	Very high	98	Very high	88 Å²	88	45 Å²	45	38%	0.383	21%	0.212	S	C	.	.			trans	-123.4	29.9	-178.3	-57.9	-173.9	-179.6	-176.2	0	111.2	L436 L437 K438 E461 N481	L436-K459 HydrophobicContact CD2-CD 4.47Å; L437-K459 CarbonylContact O-C 3.32Å; L437-K459 VanDerWaalsContact O-CA 3.26Å; L437-K459 WeakPolarHBondContact O-CA 3.42Å; L437-K459 PolarHBondContact O-N 3.1Å; K438-K459 WeakPolarHBondContact CA-O 3.49Å; K438-K459 HydrophobicContact CG-CB 4.28Å; K459-E461 PolarHBondContact O-N 3.42Å; K459-N481 PolarHBondContact N-OD1 2.81Å
460	L	98.6	Very high	98	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.192	C	C	.	.			trans	-66.5	117.4	-173.5	-63.5	176.4	0	0	0	110.6	L437 K438 L440 L455 N458 L463 L478 N481 Q482 L483	L437-L460 HydrophobicContact CB-CD2 4.08Å; L437-L460 PolarHBondContact O-N 3.42Å; K438-L460 WeakPolarHBondContact O-CA 3.4Å; L440-L460 HydrophobicContact CD1-CD1 4.43Å; L440-L460 HydrophobicContact CD2-CD2 4.09Å; L440-L460 HydrophobicContact CG-CD1 4.47Å; L440-L460 HydrophobicContact CG-CD2 4.03Å; L455-L460 HydrophobicContact CB-CD1 4.04Å; L455-L460 HydrophobicContact CD1-CD1 4.02Å; L455-L460 HydrophobicContact CD2-CD1 4.29Å; L455-L460 HydrophobicContact CG-CD1 4.37Å; N458-L460 HydrophobicContact CB-CG 4.28Å; L460-L463 HydrophobicContact CD1-CD2 4.46Å; L460-L478 HydrophobicContact CD1-CD2 3.96Å; L460-N481 HydrophobicContact CB-CB 4.41Å; L460-N481 VanDerWaalsContact CB-OD1 3.26Å; L460-N481 WeakPolarHBondContact CB-OD1 3.08Å; L460-N481 WeakPolarHBondContact CG-OD1 3.44Å; L460-N481 PolarHBondContact N-OD1 2.86Å; L460-Q482 CarbonylContact O-C 3.58Å; L460-Q482 VanDerWaalsContact O-CA 3.27Å; L460-Q482 WeakPolarHBondContact O-CA 3.33Å; L460-Q482 WeakPolarHBondContact O-CB 3.38Å; L460-Q482 PolarHBondContact O-N 3.02Å; L460-L483 HydrophobicContact CB-CD2 4.04Å; L460-L483 PolarHBondContact O-N 2.99Å
461	E	97.3	Very high	97.8	Very high	68 Å²	68	46.8 Å²	46.8	32%	0.318	22%	0.219	S	C	.	.	S	Bend	trans	-80.9	-29.9	177.9	-64.2	163	-166	0	0	111.2	K438 K459	K438-E461 IonicContact NZ-OE1 2.76Å; K438-E461 PolarHBondContact NZ-OE1 3.24Å; K438-E461 PolarHBondContact O-N 2.96Å; K438-E461 VanDerWaalsContact O-N 3.17Å; K459-E461 PolarHBondContact O-N 3.42Å
462	S	97.1	Very high	97.8	Very high	53 Å²	53	45.6 Å²	45.6	37%	0.371	22%	0.22	S	C	.	.			trans	-162.4	166.4	177.9	61.1	0	0	0	0	112
463	L	97.9	Very high	97.8	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.063	21%	0.208	C	C	.	.			trans	-100.3	146.7	169.7	-60.5	177.1	0	0	0	111.4	L440 L460 L478 L483 L486 P487	L440-L463 HydrophobicContact CD1-CD2 3.87Å; L460-L463 HydrophobicContact CD1-CD2 4.46Å; L463-L478 HydrophobicContact CD1-CD1 3.75Å; L463-L478 HydrophobicContact CD2-CD1 4.35Å; L463-L478 HydrophobicContact CD2-CD2 3.81Å; L463-L483 HydrophobicContact CG-CD2 4.29Å; L463-L486 HydrophobicContact CD1-CD2 3.89Å; L463-P487 HydrophobicContact CB-CG 4.06Å
464	P	97	Very high	97.8	Very high	14 Å²	14	47.4 Å²	47.4	9%	0.091	23%	0.228	C	C	.	.			trans	-70.1	149.9	170.9	30.8	-34.8	0	0	0	111.1	L440 E466 I467	L440-P464 HydrophobicContact CB-CG 4.05Å; P464-E466 WeakPolarHBondContact CB-OE2 3.43Å; P464-E466 PolarHBondContact O-N 2.99Å; P464-I467 WeakPolarHBondContact O-CB 3.42Å; P464-I467 VanDerWaalsContact O-CG2 3.26Å; P464-I467 WeakPolarHBondContact O-CG2 3.35Å; P464-I467 PolarHBondContact O-N 3.05Å
465	N	96.3	Very high	97.8	Very high	112 Å²	112	50 Å²	50	60%	0.599	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-63.1	-27.8	177.9	-72.6	-35.4	0	0	0	112.2	I467 A468 P487	N465-I467 PolarHBondContact O-N 3.01Å; N465-I467 VanDerWaalsContact O-N 3.13Å; N465-A468 VanDerWaalsContact O-CB 3.23Å; N465-A468 WeakPolarHBondContact O-CB 3.26Å; N465-A468 PolarHBondContact O-N 3.06Å; N465-A468 VanDerWaalsContact O-N 3.12Å; N465-P487 WeakPolarHBondContact OD1-CB 3.17Å
466	E	97.4	Very high	97.8	Very high	47 Å²	47	50 Å²	50	22%	0.22	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-63.1	-13.2	178.5	-66.4	70.5	-156.5	0	0	113.3	H442 G445 P464 A468 Y469	H442-E466 HydrophobicContact CB-CG 4.22Å; H442-E466 IonicContact CE1-OE2 2.79Å; H442-E466 IonicContact CG-OE2 3.63Å; H442-E466 VanDerWaalsContact ND1-CD 3.32Å; H442-E466 IonicContact ND1-OE1 3.94Å; H442-E466 IonicContact ND1-OE2 3.78Å; H442-E466 PolarHBondContact ND1-OE2 3.05Å; H442-E466 WeakPolarHBondContact O-CB 3.38Å; G445-E466 VanDerWaalsContact CA-O 3.28Å; G445-E466 WeakPolarHBondContact CA-O 3.4Å; P464-E466 WeakPolarHBondContact CB-OE2 3.43Å; P464-E466 PolarHBondContact O-N 2.99Å; E466-A468 PolarHBondContact O-N 3.16Å; E466-A468 VanDerWaalsContact O-N 3.16Å; E466-Y469 HydrophobicContact CB-CD2 4.06Å; E466-Y469 HydrophobicContact CB-CE2 4.11Å; E466-Y469 HydrophobicContact CG-CD2 4.29Å; E466-Y469 HydrophobicContact CG-CE2 3.86Å; E466-Y469 WeakPolarHBondContact O-CB 3.27Å; E466-Y469 PolarHBondContact O-N 3.12Å
467	I	96.9	Very high	97.8	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-54	-32.7	169.5	-159.4	76.1	0	0	0	111.2	L444 L453 P464 N465 Y469 L470 P487 L493	L444-I467 HydrophobicContact CD2-CD1 4.17Å; L453-I467 HydrophobicContact CD2-CD1 3.87Å; P464-I467 WeakPolarHBondContact O-CB 3.42Å; P464-I467 VanDerWaalsContact O-CG2 3.26Å; P464-I467 WeakPolarHBondContact O-CG2 3.35Å; P464-I467 PolarHBondContact O-N 3.05Å; N465-I467 PolarHBondContact O-N 3.01Å; N465-I467 VanDerWaalsContact O-N 3.13Å; I467-Y469 PolarHBondContact O-N 3.08Å; I467-L470 HydrophobicContact CD1-CD1 3.63Å; I467-L470 HydrophobicContact CG1-CD1 4.32Å; I467-L470 WeakPolarHBondContact O-CB 3.39Å; I467-L470 WeakPolarHBondContact O-CG 3.45Å; I467-L470 PolarHBondContact O-N 3.01Å; I467-L470 VanDerWaalsContact O-N 3.08Å; I467-P487 HydrophobicContact CG2-CG 3.93Å; I467-L493 WeakPolarHBondContact O-CD2 3.41Å
468	A	96.5	Very high	97.8	Very high	5 Å²	5	43 Å²	43	4%	0.041	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.7	-8.9	178.4	0	0	0	0	0	114.9	N465 E466 G489 H492	N465-A468 VanDerWaalsContact O-CB 3.23Å; N465-A468 WeakPolarHBondContact O-CB 3.26Å; N465-A468 PolarHBondContact O-N 3.06Å; N465-A468 VanDerWaalsContact O-N 3.12Å; E466-A468 PolarHBondContact O-N 3.16Å; E466-A468 VanDerWaalsContact O-N 3.16Å; A468-G489 WeakPolarHBondContact CB-O 3.11Å; A468-H492 HydrophobicContact CB-CB 4.18Å; A468-H492 WeakPolarHBondContact O-CB 3.43Å
469	Y	97.6	Very high	97.8	Very high	126 Å²	126	43.5 Å²	43.5	49%	0.494	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-89.5	-11.3	176.8	-57.5	-25.2	0	0	0	113.2	G445 E466 I467 K471	G445-Y469 VanDerWaalsContact O-CB 3.29Å; G445-Y469 WeakPolarHBondContact O-CB 3.35Å; E466-Y469 HydrophobicContact CB-CD2 4.06Å; E466-Y469 HydrophobicContact CB-CE2 4.11Å; E466-Y469 HydrophobicContact CG-CD2 4.29Å; E466-Y469 HydrophobicContact CG-CE2 3.86Å; E466-Y469 WeakPolarHBondContact O-CB 3.27Å; E466-Y469 PolarHBondContact O-N 3.12Å; I467-Y469 PolarHBondContact O-N 3.08Å; Y469-K471 PolarHBondContact O-N 3.37Å
470	L	97.8	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.			trans	-79.7	60.1	179.6	-56.2	-177.7	0	0	0	111.8	L444 L447 L450 L453 I467 D472 L473 L493	L444-L470 WeakPolarHBondContact O-CD2 3.4Å; L447-L470 HydrophobicContact CB-CD2 4.04Å; L447-L470 WeakPolarHBondContact O-CD2 3.23Å; L450-L470 HydrophobicContact CB-CD2 4.39Å; L450-L470 HydrophobicContact CD2-CD1 4.07Å; L453-L470 HydrophobicContact CD2-CD1 4.39Å; I467-L470 HydrophobicContact CD1-CD1 3.63Å; I467-L470 HydrophobicContact CG1-CD1 4.32Å; I467-L470 WeakPolarHBondContact O-CB 3.39Å; I467-L470 WeakPolarHBondContact O-CG 3.45Å; I467-L470 PolarHBondContact O-N 3.01Å; I467-L470 VanDerWaalsContact O-N 3.08Å; L470-D472 PolarHBondContact O-N 3.19Å; L470-D472 VanDerWaalsContact O-N 3.14Å; L470-L473 HydrophobicContact CB-CB 4.08Å; L470-L473 HydrophobicContact CD1-CD2 4.42Å; L470-L473 WeakPolarHBondContact O-CB 3.44Å; L470-L473 PolarHBondContact O-N 3.38Å; L470-L493 HydrophobicContact CB-CD2 4.1Å; L470-L493 VanDerWaalsContact O-CD2 3.25Å; L470-L493 WeakPolarHBondContact O-CD2 3.34Å
471	K	95.6	Very high	97.8	Very high	130 Å²	130	42.7 Å²	42.7	57%	0.565	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.2	-171.6	-62.6	-170.2	178.2	-168	0	114.7	Y469 L473 N495	Y469-K471 PolarHBondContact O-N 3.37Å; K471-L473 VanDerWaalsContact C-N 3.31Å; K471-N495 WeakPolarHBondContact O-CB 3.1Å; K471-N495 PolarHBondContact O-ND2 3.41Å
472	D	97.8	Very high	97.8	Very high	67 Å²	67	43.4 Å²	43.4	36%	0.358	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	0.3	177.3	-72.2	7	0	0	0	112.9	L450 L470 Q474	L450-D472 CarbonylContact O-C 3.31Å; L450-D472 VanDerWaalsContact O-C 3.27Å; L470-D472 PolarHBondContact O-N 3.19Å; L470-D472 VanDerWaalsContact O-N 3.14Å; D472-Q474 PolarHBondContact O-N 2.97Å
473	L	98.6	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.			trans	-67.8	124.4	-177.3	-160.4	74.1	0	0	0	111.1	L450 L453 L470 K471 L476 L493 N495 L496	L450-L473 HydrophobicContact CB-CD1 4.4Å; L450-L473 HydrophobicContact CD2-CD1 4.17Å; L450-L473 HydrophobicContact CG-CD1 4.09Å; L450-L473 WeakPolarHBondContact O-CA 3.33Å; L450-L473 PolarHBondContact O-N 3.06Å; L450-L473 VanDerWaalsContact O-N 3.12Å; L453-L473 HydrophobicContact CB-CD1 3.88Å; L470-L473 HydrophobicContact CB-CB 4.08Å; L470-L473 HydrophobicContact CD1-CD2 4.42Å; L470-L473 WeakPolarHBondContact O-CB 3.44Å; L470-L473 PolarHBondContact O-N 3.38Å; K471-L473 VanDerWaalsContact C-N 3.31Å; L473-L476 HydrophobicContact CD2-CB 3.93Å; L473-L476 HydrophobicContact CD2-CD1 4.32Å; L473-L476 HydrophobicContact CD2-CD2 4.27Å; L473-L476 HydrophobicContact CD2-CG 4.41Å; L473-L493 HydrophobicContact CB-CD2 4.32Å; L473-L493 HydrophobicContact CD2-CD1 4.13Å; L473-L493 HydrophobicContact CD2-CD2 4.48Å; L473-N495 CarbonylContact O-C 3.02Å; L473-N495 VanDerWaalsContact O-C 3.23Å; L473-L496 HydrophobicContact CD2-CD1 4.14Å; L473-L496 HydrophobicContact CG-CD1 4.12Å; L473-L496 VanDerWaalsContact O-CA 3.31Å; L473-L496 WeakPolarHBondContact O-CA 3.43Å; L473-L496 PolarHBondContact O-N 2.83Å; L473-L496 VanDerWaalsContact O-N 3.13Å
474	Q	98.7	Very high	97.9	Very high	90 Å²	90	43.3 Å²	43.3	42%	0.421	21%	0.211	S	C	.	.			trans	-107.5	-36.7	-178.7	-68.6	170.4	-2.7	0	0	111.2	R451 D472 T497 H498	R451-Q474 WeakPolarHBondContact O-CA 3.3Å; R451-Q474 PolarHBondContact O-N 2.74Å; D472-Q474 PolarHBondContact O-N 2.97Å; Q474-T497 PolarHBondContact O-N 3.36Å; Q474-T497 PolarHBondContact O-OG1 2.83Å; Q474-H498 PolarHBondContact O-N 3.21Å
475	K	98.9	Very high	97.9	Very high	72 Å²	72	45.1 Å²	45.1	31%	0.313	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.1	-178.3	179.6	173	169.4	-154.9	0	110.9	R451 E452 L453 V477 H498	R451-K475 PolarHBondContact O-N 3.1Å; E452-K475 WeakPolarHBondContact CA-O 3.03Å; E452-K475 HydrophobicContact CB-CB 4.45Å; E452-K475 HydrophobicContact CG-CB 4.23Å; E452-K475 HydrophobicContact CG-CD 4.09Å; E452-K475 HydrophobicContact CG-CG 4.27Å; E452-K475 WeakPolarHBondContact OE1-CD 3.24Å; E452-K475 WeakPolarHBondContact OE1-CE 3.32Å; E452-K475 IonicContact OE1-NZ 3.87Å; E452-K475 PolarHBondContact OE1-NZ 3Å; L453-K475 PolarHBondContact N-O 2.92Å; K475-V477 HydrophobicContact CD-CG2 4.36Å; K475-V477 HydrophobicContact CG-CG2 4Å; K475-H498 HydrophobicContact CB-CB 4.39Å; K475-H498 HydrophobicContact CG-CB 4.14Å
476	L	98.8	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	113.3	174.4	179	54.8	0	0	0	109	L453 L473 L478 I490 L493 L496 H498 L499 G500	L453-L476 HydrophobicContact CB-CD1 4.12Å; L453-L476 HydrophobicContact CD2-CD1 3.93Å; L453-L476 HydrophobicContact CG-CD1 4.04Å; L453-L476 WeakPolarHBondContact O-CA 3.21Å; L473-L476 HydrophobicContact CD2-CB 3.93Å; L473-L476 HydrophobicContact CD2-CD1 4.32Å; L473-L476 HydrophobicContact CD2-CD2 4.27Å; L473-L476 HydrophobicContact CD2-CG 4.41Å; L476-L478 HydrophobicContact CD1-CD1 4.07Å; L476-L478 HydrophobicContact CD1-CD2 4.34Å; L476-L478 HydrophobicContact CD1-CG 4.01Å; L476-L478 HydrophobicContact CD2-CD1 3.93Å; L476-L478 HydrophobicContact CG-CD1 3.8Å; L476-L478 HydrophobicContact CG-CG 4.09Å; L476-I490 HydrophobicContact CD2-CD1 3.93Å; L476-L493 HydrophobicContact CD2-CD1 4.17Å; L476-L496 HydrophobicContact CB-CD1 3.78Å; L476-H498 PolarHBondContact N-O 2.93Å; L476-L499 HydrophobicContact CB-CD1 4.15Å; L476-L499 HydrophobicContact CD2-CD1 4.01Å; L476-L499 HydrophobicContact CG-CD1 4.08Å; L476-L499 WeakPolarHBondContact O-CA 3.16Å; L476-G500 PolarHBondContact O-N 3.01Å
477	V	98.8	Very high	98	Very high	10 Å²	10	38.8 Å²	38.8	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.3	178.2	-166.2	0	0	0	0	109.1	L453 D454 L455 E456 K475	L453-V477 PolarHBondContact O-N 2.92Å; D454-V477 HydrophobicContact CB-CB 4.47Å; L455-V477 CarbonylContact C-O 3.47Å; L455-V477 WeakPolarHBondContact CA-O 3.36Å; L455-V477 WeakPolarHBondContact CB-O 3.23Å; L455-V477 PolarHBondContact N-O 3.09Å; E456-V477 HydrophobicContact CB-CG1 3.97Å; K475-V477 HydrophobicContact CD-CG2 4.36Å; K475-V477 HydrophobicContact CG-CG2 4Å
478	L	98.7	Very high	97.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.222	C	C	.	.			trans	-129.8	14	-179.6	-64.6	160.5	0	0	0	111.6	L455 L460 L463 L476 N481 L483 G500 L501 N504	L455-L478 HydrophobicContact CB-CD2 3.87Å; L455-L478 HydrophobicContact CD1-CD2 3.75Å; L455-L478 HydrophobicContact CG-CD2 4.48Å; L460-L478 HydrophobicContact CD1-CD2 3.96Å; L463-L478 HydrophobicContact CD1-CD1 3.75Å; L463-L478 HydrophobicContact CD2-CD1 4.35Å; L463-L478 HydrophobicContact CD2-CD2 3.81Å; L476-L478 HydrophobicContact CD1-CD1 4.07Å; L476-L478 HydrophobicContact CD1-CD2 4.34Å; L476-L478 HydrophobicContact CD1-CG 4.01Å; L476-L478 HydrophobicContact CD2-CD1 3.93Å; L476-L478 HydrophobicContact CG-CD1 3.8Å; L476-L478 HydrophobicContact CG-CG 4.09Å; L478-N481 WeakPolarHBondContact O-CB 3.47Å; L478-N481 PolarHBondContact O-ND2 3.17Å; L478-L483 HydrophobicContact CB-CD1 3.95Å; L478-L483 HydrophobicContact CD1-CD1 4.01Å; L478-L483 HydrophobicContact CD2-CD1 4.32Å; L478-L483 HydrophobicContact CG-CD1 4.33Å; L478-G500 WeakPolarHBondContact CA-O 3.27Å; L478-G500 WeakPolarHBondContact CB-O 3.49Å; L478-G500 PolarHBondContact N-O 3.13Å; L478-L501 HydrophobicContact CB-CD2 4.21Å; L478-L501 HydrophobicContact CD1-CD2 3.83Å; L478-N504 PolarHBondContact O-ND2 2.98Å
479	T	98.5	Very high	97.9	Very high	19 Å²	19	47.6 Å²	47.6	12%	0.117	23%	0.227	C	C	.	.			trans	-53.3	143.9	178.8	-48.3	0	0	0	0	111.2	E456 E457 N481 G502	E456-T479 CarbonylContact C-O 3.59Å; E456-T479 VanDerWaalsContact CA-O 3.25Å; E456-T479 WeakPolarHBondContact CA-O 3.46Å; E457-T479 PolarHBondContact N-O 3.31Å; T479-N481 PolarHBondContact O-ND2 3.14Å; T479-G502 CarbonylContact C-O 3.29Å; T479-G502 VanDerWaalsContact CA-O 3.25Å; T479-G502 WeakPolarHBondContact CA-O 3.19Å
480	N	98.5	Very high	97.9	Very high	62 Å²	62	41.6 Å²	41.6	33%	0.332	20%	0.204	S	C	.	.	S	Bend	trans	56.9	67.9	178.3	-160.8	-19.2	0	0	0	112.5	E457 N458 G502 E503	E457-N480 VanDerWaalsContact CA-O 3.31Å; E457-N480 WeakPolarHBondContact CA-O 3.25Å; E457-N480 HydrophobicContact CG-CB 4.11Å; E457-N480 PolarHBondContact N-O 2.74Å; N458-N480 PolarHBondContact N-O 3.48Å; N458-N480 VanDerWaalsContact N-O 3.08Å; N480-G502 PolarHBondContact N-O 3.03Å; N480-E503 WeakPolarHBondContact CA-O 3.16Å; N480-E503 HydrophobicContact CB-CB 4.1Å; N480-E503 PolarHBondContact N-O 3.25Å; N480-E503 PolarHBondContact ND2-OE2 2.67Å
481	N	98.8	Very high	97.8	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.048	20%	0.204	C	C	.	.	S	Bend	trans	-141.1	-170.4	179	-89.1	-80.9	0	0	0	110.6	L455 N458 K459 L460 L478 T479 L483 E503 N504	L455-N481 PolarHBondContact O-ND2 3.26Å; N458-N481 WeakPolarHBondContact CA-OD1 3.09Å; N458-N481 WeakPolarHBondContact CB-OD1 3.44Å; K459-N481 PolarHBondContact N-OD1 2.81Å; L460-N481 HydrophobicContact CB-CB 4.41Å; L460-N481 VanDerWaalsContact CB-OD1 3.26Å; L460-N481 WeakPolarHBondContact CB-OD1 3.08Å; L460-N481 WeakPolarHBondContact CG-OD1 3.44Å; L460-N481 PolarHBondContact N-OD1 2.86Å; L478-N481 WeakPolarHBondContact O-CB 3.47Å; L478-N481 PolarHBondContact O-ND2 3.17Å; T479-N481 PolarHBondContact O-ND2 3.14Å; N481-L483 HydrophobicContact CB-CG 4.32Å; N481-E503 PolarHBondContact N-O 2.98Å; N481-E503 VanDerWaalsContact N-O 3.1Å; N481-N504 WeakPolarHBondContact CA-OD1 3.43Å; N481-N504 WeakPolarHBondContact CB-OD1 3.19Å; N481-N504 PolarHBondContact O-OD1 3.05Å
482	Q	98.3	Very high	97.8	Very high	82 Å²	82	41 Å²	41	38%	0.383	20%	0.203	S	C	.	.			trans	-116.7	25.8	-175.5	-58	-179.7	15.6	0	0	111.8	L460 T484 N504	L460-Q482 CarbonylContact O-C 3.58Å; L460-Q482 VanDerWaalsContact O-CA 3.27Å; L460-Q482 WeakPolarHBondContact O-CA 3.33Å; L460-Q482 WeakPolarHBondContact O-CB 3.38Å; L460-Q482 PolarHBondContact O-N 3.02Å; Q482-T484 PolarHBondContact O-N 2.97Å; Q482-N504 PolarHBondContact N-OD1 3.01Å
483	L	98.5	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.			trans	-69.6	127.5	-175.8	-59.1	174.1	0	0	0	110.4	L460 L463 L478 N481 L486 L501 N504 L505 L506	L460-L483 HydrophobicContact CB-CD2 4.04Å; L460-L483 PolarHBondContact O-N 2.99Å; L463-L483 HydrophobicContact CG-CD2 4.29Å; L478-L483 HydrophobicContact CB-CD1 3.95Å; L478-L483 HydrophobicContact CD1-CD1 4.01Å; L478-L483 HydrophobicContact CD2-CD1 4.32Å; L478-L483 HydrophobicContact CG-CD1 4.33Å; N481-L483 HydrophobicContact CB-CG 4.32Å; L483-L486 HydrophobicContact CD1-CD2 4.25Å; L483-L501 HydrophobicContact CD1-CD2 4.46Å; L483-N504 VanDerWaalsContact CB-OD1 3.23Å; L483-N504 WeakPolarHBondContact CB-OD1 3.49Å; L483-N504 WeakPolarHBondContact CG-OD1 3.31Å; L483-N504 PolarHBondContact N-OD1 2.95Å; L483-L505 CarbonylContact O-C 3.24Å; L483-L505 VanDerWaalsContact O-CA 3.3Å; L483-L505 WeakPolarHBondContact O-CA 3.14Å; L483-L505 PolarHBondContact O-N 2.81Å; L483-L506 HydrophobicContact CB-CD2 4.01Å; L483-L506 PolarHBondContact O-N 2.81Å; L483-L506 VanDerWaalsContact O-N 3.1Å
484	T	97.6	Very high	97.6	Very high	64 Å²	64	40.9 Å²	40.9	39%	0.393	21%	0.205	S	C	.	.	S	Bend	trans	-98.7	-23.7	177.1	53.2	0	0	0	0	113.2	Q482 L505 T507	Q482-T484 PolarHBondContact O-N 2.97Å; T484-L505 HydrophobicContact CG2-CB 4.26Å; T484-T507 PolarHBondContact O-N 3.11Å; T484-T507 PolarHBondContact O-OG1 3.12Å
485	T	97.2	Very high	97.6	Very high	51 Å²	51	39.6 Å²	39.6	31%	0.313	20%	0.201	S	C	.	.			trans	-154.2	165.2	-179	56.8	0	0	0	0	109.8	H508	T485-H508 VanDerWaalsContact CG2-CE1 3.43Å; T485-H508 WeakPolarHBondContact CG2-CE1 3.29Å
486	L	97.9	Very high	97.5	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.058	19%	0.186	C	C	.	.			trans	-112.7	147.1	168	-63.2	174.9	0	0	0	110.3	L463 L483 L501 L506 L509 P510	L463-L486 HydrophobicContact CD1-CD2 3.89Å; L483-L486 HydrophobicContact CD1-CD2 4.25Å; L486-L501 HydrophobicContact CD1-CD1 3.71Å; L486-L501 HydrophobicContact CD1-CD2 3.98Å; L486-L501 HydrophobicContact CD2-CD2 3.85Å; L486-L501 HydrophobicContact CG-CD2 4.43Å; L486-L506 HydrophobicContact CG-CD2 4.31Å; L486-L509 HydrophobicContact CD1-CD2 4Å; L486-P510 HydrophobicContact CB-CG 4.24Å
487	P	97	Very high	97.5	Very high	16 Å²	16	38.4 Å²	38.4	10%	0.104	20%	0.2	C	C	.	.			trans	-66.5	139.6	173	29	-34.2	0	0	0	110.1	L463 N465 I467 G489 I490	L463-P487 HydrophobicContact CB-CG 4.06Å; N465-P487 WeakPolarHBondContact OD1-CB 3.17Å; I467-P487 HydrophobicContact CG2-CG 3.93Å; P487-G489 PolarHBondContact O-N 3Å; P487-I490 WeakPolarHBondContact O-CB 3.15Å; P487-I490 WeakPolarHBondContact O-CG2 3.38Å; P487-I490 PolarHBondContact O-N 3.49Å
488	R	96.1	Very high	97.5	Very high	176 Å²	176	39.3 Å²	39.3	66%	0.664	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-50.5	-33.1	175.9	-68.6	179.5	176.1	-142.8	3.5	113.6	I490 G491 P510 E512	R488-I490 PolarHBondContact O-N 3.34Å; R488-G491 PolarHBondContact O-N 2.85Å; R488-P510 HydrophobicContact CG-CB 4.49Å; R488-E512 HydrophobicContact CB-CG 4.34Å; R488-E512 WeakPolarHBondContact CB-OE1 3.44Å; R488-E512 VanDerWaalsContact CD-OE1 3.27Å; R488-E512 WeakPolarHBondContact CD-OE1 3.43Å; R488-E512 WeakPolarHBondContact CG-OE1 3.46Å; R488-E512 WeakPolarHBondContact CG-OE2 3.42Å; R488-E512 IonicContact NE-OE1 3.61Å; R488-E512 IonicContact NH1-OE1 2.7Å; R488-E512 VanDerWaalsContact O-CB 3.28Å; R488-E512 WeakPolarHBondContact O-CB 3.21Å
489	G	96.1	Very high	97.5	Very high	15 Å²	15	39.3 Å²	39.3	16%	0.155	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-60.7	-8.9	175.8	0	0	0	0	0	115.3	A468 P487 G491 H492	A468-G489 WeakPolarHBondContact CB-O 3.11Å; P487-G489 PolarHBondContact O-N 3Å; G489-G491 PolarHBondContact O-N 2.88Å; G489-H492 WeakPolarHBondContact O-CB 3.17Å; G489-H492 PolarHBondContact O-N 3.02Å
490	I	96.8	Very high	97.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-53.7	-35.5	171.4	-161.6	77.3	0	0	0	111.7	L476 P487 R488 H492 L493 P510 I513	L476-I490 HydrophobicContact CD2-CD1 3.93Å; P487-I490 WeakPolarHBondContact O-CB 3.15Å; P487-I490 WeakPolarHBondContact O-CG2 3.38Å; P487-I490 PolarHBondContact O-N 3.49Å; R488-I490 PolarHBondContact O-N 3.34Å; I490-H492 PolarHBondContact O-N 2.89Å; I490-H492 VanDerWaalsContact O-N 3.12Å; I490-L493 HydrophobicContact CD1-CD1 3.6Å; I490-L493 HydrophobicContact CG1-CD1 4.25Å; I490-L493 WeakPolarHBondContact O-CB 3.46Å; I490-L493 WeakPolarHBondContact O-CG 3.37Å; I490-L493 PolarHBondContact O-N 3.4Å; I490-P510 HydrophobicContact CG2-CG 3.58Å; I490-I513 HydrophobicContact CG2-CD1 4.46Å
491	G	95.9	Very high	97.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.01	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-63.1	-17.5	178.4	0	0	0	0	0	114.9	R488 G489 L493 E512 T515	R488-G491 PolarHBondContact O-N 2.85Å; G489-G491 PolarHBondContact O-N 2.88Å; G491-L493 PolarHBondContact O-N 3.26Å; G491-E512 WeakPolarHBondContact CA-O 3.32Å; G491-T515 VanDerWaalsContact C-OG1 3.23Å; G491-T515 WeakPolarHBondContact CA-OG1 3.47Å; G491-T515 PolarHBondContact O-OG1 3.11Å
492	H	96.4	Very high	97.5	Very high	115 Å²	115	35.1 Å²	35.1	53%	0.532	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-74.7	-10	174.7	-62.6	168.7	0	0	0	113.6	A468 G489 I490 T494	A468-H492 HydrophobicContact CB-CB 4.18Å; A468-H492 WeakPolarHBondContact O-CB 3.43Å; G489-H492 WeakPolarHBondContact O-CB 3.17Å; G489-H492 PolarHBondContact O-N 3.02Å; I490-H492 PolarHBondContact O-N 2.89Å; I490-H492 VanDerWaalsContact O-N 3.12Å; H492-T494 PolarHBondContact O-N 2.99Å
493	L	97.4	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.			trans	-78.4	53.4	177.2	-57.1	179.9	0	0	0	111.2	I467 L470 L473 L476 I490 G491 N495 L496 L516	I467-L493 WeakPolarHBondContact O-CD2 3.41Å; L470-L493 HydrophobicContact CB-CD2 4.1Å; L470-L493 VanDerWaalsContact O-CD2 3.25Å; L470-L493 WeakPolarHBondContact O-CD2 3.34Å; L473-L493 HydrophobicContact CB-CD2 4.32Å; L473-L493 HydrophobicContact CD2-CD1 4.13Å; L473-L493 HydrophobicContact CD2-CD2 4.48Å; L476-L493 HydrophobicContact CD2-CD1 4.17Å; I490-L493 HydrophobicContact CD1-CD1 3.6Å; I490-L493 HydrophobicContact CG1-CD1 4.25Å; I490-L493 WeakPolarHBondContact O-CB 3.46Å; I490-L493 WeakPolarHBondContact O-CG 3.37Å; I490-L493 PolarHBondContact O-N 3.4Å; G491-L493 PolarHBondContact O-N 3.26Å; L493-N495 PolarHBondContact O-N 3.35Å; L493-L496 HydrophobicContact CB-CB 4.08Å; L493-L496 HydrophobicContact CD1-CD2 4.4Å; L493-L496 WeakPolarHBondContact O-CB 3.27Å; L493-L496 PolarHBondContact O-N 3.24Å; L493-L516 HydrophobicContact CB-CD2 4.09Å; L493-L516 VanDerWaalsContact O-CD2 3.27Å; L493-L516 WeakPolarHBondContact O-CD2 3.3Å
494	T	94.9	Very high	97.5	Very high	65 Å²	65	35.6 Å²	35.6	40%	0.399	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.4	-170	54.1	0	0	0	0	114.8	H492 N518	H492-T494 PolarHBondContact O-N 2.99Å; T494-N518 WeakPolarHBondContact O-CB 3.33Å; T494-N518 PolarHBondContact O-ND2 3.36Å
495	N	97.6	Very high	97.5	Very high	64 Å²	64	36 Å²	36	34%	0.342	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.5	174.7	-72.4	-38.5	0	0	0	114.2	K471 L473 L493 T497	K471-N495 WeakPolarHBondContact O-CB 3.1Å; K471-N495 PolarHBondContact O-ND2 3.41Å; L473-N495 CarbonylContact O-C 3.02Å; L473-N495 VanDerWaalsContact O-C 3.23Å; L493-N495 PolarHBondContact O-N 3.35Å; N495-T497 PolarHBondContact O-N 2.98Å
496	L	98.4	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.			trans	-68.6	121.6	-176.2	-162.5	77	0	0	0	110.6	L473 L476 L493 L499 L516 N518 L519	L473-L496 HydrophobicContact CD2-CD1 4.14Å; L473-L496 HydrophobicContact CG-CD1 4.12Å; L473-L496 VanDerWaalsContact O-CA 3.31Å; L473-L496 WeakPolarHBondContact O-CA 3.43Å; L473-L496 PolarHBondContact O-N 2.83Å; L473-L496 VanDerWaalsContact O-N 3.13Å; L476-L496 HydrophobicContact CB-CD1 3.78Å; L493-L496 HydrophobicContact CB-CB 4.08Å; L493-L496 HydrophobicContact CD1-CD2 4.4Å; L493-L496 WeakPolarHBondContact O-CB 3.27Å; L493-L496 PolarHBondContact O-N 3.24Å; L496-L499 HydrophobicContact CD2-CB 3.88Å; L496-L499 HydrophobicContact CD2-CD1 4.21Å; L496-L499 HydrophobicContact CD2-CD2 4.1Å; L496-L499 HydrophobicContact CD2-CG 4.28Å; L496-L516 HydrophobicContact CD2-CD1 4.21Å; L496-N518 CarbonylContact O-C 3.38Å; L496-L519 HydrophobicContact CD2-CD1 4.38Å; L496-L519 VanDerWaalsContact O-CA 3.24Å; L496-L519 WeakPolarHBondContact O-CA 3.46Å; L496-L519 PolarHBondContact O-N 3.41Å; L496-L519 VanDerWaalsContact O-N 3.14Å
497	T	98.6	Very high	97.5	Very high	46 Å²	46	35.9 Å²	35.9	28%	0.282	18%	0.182	S	C	.	.			trans	-103.2	-31.4	176	61.2	0	0	0	0	112.1	Q474 N495 N518 E520 E521	Q474-T497 PolarHBondContact O-N 3.36Å; Q474-T497 PolarHBondContact O-OG1 2.83Å; N495-T497 PolarHBondContact O-N 2.98Å; T497-N518 WeakPolarHBondContact CA-O 3.49Å; T497-E520 PolarHBondContact O-N 2.7Å; T497-E521 PolarHBondContact O-N 2.89Å
498	H	98.8	Very high	97.4	Very high	30 Å²	30	39.4 Å²	39.4	14%	0.139	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.1	180	175.6	102.7	0	0	0	111.6	Q474 K475 L476 E521 Y523	Q474-H498 PolarHBondContact O-N 3.21Å; K475-H498 HydrophobicContact CB-CB 4.39Å; K475-H498 HydrophobicContact CG-CB 4.14Å; L476-H498 PolarHBondContact N-O 2.93Å; H498-E521 IonicContact CE1-OE2 2.72Å; H498-E521 IonicContact CG-OE2 2.69Å; H498-E521 IonicContact ND1-OE2 3.07Å; H498-E521 PolarHBondContact ND1-OE2 3.05Å; H498-Y523 AromaticContact CE1-CD2 3.79Å; H498-Y523 AromaticContact CE1-CE2 3.55Å; H498-Y523 AromaticContact ND1-CE2 3.89Å
499	L	98.6	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	103.2	174.3	-177.6	50	0	0	0	111	L476 L496 L501 I513 L516 L519 E521 L522 Y523	L476-L499 HydrophobicContact CB-CD1 4.15Å; L476-L499 HydrophobicContact CD2-CD1 4.01Å; L476-L499 HydrophobicContact CG-CD1 4.08Å; L476-L499 WeakPolarHBondContact O-CA 3.16Å; L496-L499 HydrophobicContact CD2-CB 3.88Å; L496-L499 HydrophobicContact CD2-CD1 4.21Å; L496-L499 HydrophobicContact CD2-CD2 4.1Å; L496-L499 HydrophobicContact CD2-CG 4.28Å; L499-L501 HydrophobicContact CD1-CD1 4.11Å; L499-L501 HydrophobicContact CD1-CD2 4.11Å; L499-L501 HydrophobicContact CD1-CG 3.88Å; L499-L501 HydrophobicContact CD2-CD1 3.87Å; L499-L501 HydrophobicContact CG-CD1 3.71Å; L499-L501 HydrophobicContact CG-CG 3.88Å; L499-I513 HydrophobicContact CD2-CD1 3.88Å; L499-L516 HydrophobicContact CD2-CD1 4.32Å; L499-L519 HydrophobicContact CB-CD1 3.8Å; L499-E521 PolarHBondContact N-O 3.33Å; L499-L522 HydrophobicContact CB-CD1 4Å; L499-L522 HydrophobicContact CD2-CD1 3.96Å; L499-L522 HydrophobicContact CG-CD1 3.92Å; L499-Y523 PolarHBondContact O-N 2.99Å
500	G	98.6	Very high	97.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.8	173.9	0	0	0	0	0	111.4	L476 L478	L476-G500 PolarHBondContact O-N 3.01Å; L478-G500 WeakPolarHBondContact CA-O 3.27Å; L478-G500 WeakPolarHBondContact CB-O 3.49Å; L478-G500 PolarHBondContact N-O 3.13Å
501	L	98.4	Very high	97.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.			trans	-133.8	14.8	-179.8	-65.4	165.4	0	0	0	112.2	L478 L483 L486 L499 N504 L506 L509 L522 Y523 L524 N527	L478-L501 HydrophobicContact CB-CD2 4.21Å; L478-L501 HydrophobicContact CD1-CD2 3.83Å; L483-L501 HydrophobicContact CD1-CD2 4.46Å; L486-L501 HydrophobicContact CD1-CD1 3.71Å; L486-L501 HydrophobicContact CD1-CD2 3.98Å; L486-L501 HydrophobicContact CD2-CD2 3.85Å; L486-L501 HydrophobicContact CG-CD2 4.43Å; L499-L501 HydrophobicContact CD1-CD1 4.11Å; L499-L501 HydrophobicContact CD1-CD2 4.11Å; L499-L501 HydrophobicContact CD1-CG 3.88Å; L499-L501 HydrophobicContact CD2-CD1 3.87Å; L499-L501 HydrophobicContact CG-CD1 3.71Å; L499-L501 HydrophobicContact CG-CG 3.88Å; L501-N504 PolarHBondContact O-ND2 2.92Å; L501-L506 HydrophobicContact CB-CD1 4Å; L501-L506 HydrophobicContact CD1-CD1 4.28Å; L501-L506 HydrophobicContact CD2-CD1 4.4Å; L501-L506 HydrophobicContact CG-CD1 4.48Å; L501-L509 HydrophobicContact CD1-CD2 4.18Å; L501-L522 HydrophobicContact CD1-CD1 4.11Å; L501-Y523 CarbonylContact C-O 3.26Å; L501-Y523 VanDerWaalsContact C-O 3.24Å; L501-Y523 VanDerWaalsContact CA-O 3.23Å; L501-Y523 WeakPolarHBondContact CA-O 3.4Å; L501-Y523 VanDerWaalsContact CB-O 3.29Å; L501-Y523 WeakPolarHBondContact CB-O 3.43Å; L501-Y523 PolarHBondContact N-O 2.99Å; L501-L524 HydrophobicContact CB-CD2 4.1Å; L501-L524 HydrophobicContact CD1-CD2 3.82Å; L501-N527 PolarHBondContact O-ND2 2.95Å
502	G	97.8	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.			trans	-64.8	161.9	-179	0	0	0	0	0	112.4	T479 N480 N504 Y523 N525	T479-G502 CarbonylContact C-O 3.29Å; T479-G502 VanDerWaalsContact CA-O 3.25Å; T479-G502 WeakPolarHBondContact CA-O 3.19Å; N480-G502 PolarHBondContact N-O 3.03Å; G502-N504 PolarHBondContact O-N 3.02Å; G502-N504 PolarHBondContact O-ND2 3.1Å; G502-Y523 PolarHBondContact N-O 2.94Å; G502-Y523 VanDerWaalsContact N-O 3.17Å; G502-N525 CarbonylContact C-O 3.34Å; G502-N525 WeakPolarHBondContact CA-O 3.2Å
503	E	98.3	Very high	97.4	Very high	90 Å²	90	33.5 Å²	33.5	42%	0.421	17%	0.173	S	C	.	.	S	Bend	trans	50.6	56.4	176.5	-63.9	175.6	-114.7	0	0	112.3	N480 N481 N525 D526	N480-E503 WeakPolarHBondContact CA-O 3.16Å; N480-E503 HydrophobicContact CB-CB 4.1Å; N480-E503 PolarHBondContact N-O 3.25Å; N480-E503 PolarHBondContact ND2-OE2 2.67Å; N481-E503 PolarHBondContact N-O 2.98Å; N481-E503 VanDerWaalsContact N-O 3.1Å; E503-N525 PolarHBondContact N-O 2.82Å; E503-D526 WeakPolarHBondContact CA-O 3.42Å; E503-D526 HydrophobicContact CB-CB 4.42Å; E503-D526 HydrophobicContact CG-CB 3.77Å
504	N	98.6	Very high	97.2	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.176	C	C	.	.	S	Bend	trans	-133	-174.6	-179.8	-90.8	-87.2	0	0	0	110.3	L478 N481 Q482 L483 L501 G502 L506 D526 N527 P528	L478-N504 PolarHBondContact O-ND2 2.98Å; N481-N504 WeakPolarHBondContact CA-OD1 3.43Å; N481-N504 WeakPolarHBondContact CB-OD1 3.19Å; N481-N504 PolarHBondContact O-OD1 3.05Å; Q482-N504 PolarHBondContact N-OD1 3.01Å; L483-N504 VanDerWaalsContact CB-OD1 3.23Å; L483-N504 WeakPolarHBondContact CB-OD1 3.49Å; L483-N504 WeakPolarHBondContact CG-OD1 3.31Å; L483-N504 PolarHBondContact N-OD1 2.95Å; L501-N504 PolarHBondContact O-ND2 2.92Å; G502-N504 PolarHBondContact O-N 3.02Å; G502-N504 PolarHBondContact O-ND2 3.1Å; N504-L506 HydrophobicContact CB-CG 4.22Å; N504-D526 PolarHBondContact N-O 3.26Å; N504-N527 WeakPolarHBondContact CA-OD1 3.46Å; N504-N527 WeakPolarHBondContact CB-OD1 3.3Å; N504-N527 PolarHBondContact O-OD1 3.2Å; N504-P528 WeakPolarHBondContact O-CD 3.43Å
505	L	98	Very high	97.3	Very high	72 Å²	72	34 Å²	34	38%	0.377	18%	0.178	S	C	.	.			trans	-111.8	24.6	-178.3	-60.5	177.2	0	0	0	112.1	L483 T484 T507 N529	L483-L505 CarbonylContact O-C 3.24Å; L483-L505 VanDerWaalsContact O-CA 3.3Å; L483-L505 WeakPolarHBondContact O-CA 3.14Å; L483-L505 PolarHBondContact O-N 2.81Å; T484-L505 HydrophobicContact CG2-CB 4.26Å; L505-T507 PolarHBondContact O-N 3.43Å; L505-N529 PolarHBondContact O-ND2 3.16Å
506	L	98.1	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.			trans	-60.5	127.8	-170.1	-66.1	174.4	0	0	0	111.5	L483 L486 L501 N504 L509 L524 N527 N529 L530	L483-L506 HydrophobicContact CB-CD2 4.01Å; L483-L506 PolarHBondContact O-N 2.81Å; L483-L506 VanDerWaalsContact O-N 3.1Å; L486-L506 HydrophobicContact CG-CD2 4.31Å; L501-L506 HydrophobicContact CB-CD1 4Å; L501-L506 HydrophobicContact CD1-CD1 4.28Å; L501-L506 HydrophobicContact CD2-CD1 4.4Å; L501-L506 HydrophobicContact CG-CD1 4.48Å; N504-L506 HydrophobicContact CB-CG 4.22Å; L506-L509 HydrophobicContact CD1-CD2 4.12Å; L506-L524 HydrophobicContact CD1-CD2 4.46Å; L506-N527 HydrophobicContact CB-CB 4.46Å; L506-N527 WeakPolarHBondContact CB-OD1 3.33Å; L506-N527 VanDerWaalsContact CG-OD1 3.32Å; L506-N527 WeakPolarHBondContact CG-OD1 3.18Å; L506-N527 PolarHBondContact N-OD1 3.25Å; L506-N529 CarbonylContact O-C 3.07Å; L506-N529 VanDerWaalsContact O-C 3.23Å; L506-L530 WeakPolarHBondContact O-CA 3.27Å; L506-L530 PolarHBondContact O-N 3.31Å
507	T	96.6	Very high	96.9	Very high	60 Å²	60	37.1 Å²	37.1	37%	0.368	19%	0.19	S	C	.	.	S	Bend	trans	-88.8	-33.1	176.9	55.3	0	0	0	0	112.3	T484 L505 N529	T484-T507 PolarHBondContact O-N 3.11Å; T484-T507 PolarHBondContact O-OG1 3.12Å; L505-T507 PolarHBondContact O-N 3.43Å; T507-N529 HydrophobicContact CG2-CB 4.15Å
508	H	95.6	Very high	96.8	Very high	90 Å²	90	37.1 Å²	37.1	42%	0.417	19%	0.188	S	C	.	.			trans	-160.5	163.8	179.3	62.3	-74	0	0	0	110.3	T485	T485-H508 VanDerWaalsContact CG2-CE1 3.43Å; T485-H508 WeakPolarHBondContact CG2-CE1 3.29Å
509	L	96.9	Very high	96.7	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	18%	0.182	C	C	.	.			trans	-101.8	148.1	164.6	-60.2	175.9	0	0	0	109.6	L486 L501 L506 L524 L533 P534	L486-L509 HydrophobicContact CD1-CD2 4Å; L501-L509 HydrophobicContact CD1-CD2 4.18Å; L506-L509 HydrophobicContact CD1-CD2 4.12Å; L509-L524 HydrophobicContact CD1-CD1 3.9Å; L509-L524 HydrophobicContact CD1-CD2 3.9Å; L509-L524 HydrophobicContact CD2-CD2 3.91Å; L509-L524 HydrophobicContact CG-CD2 4.36Å; L509-L533 HydrophobicContact CD1-CD2 3.82Å; L509-L533 HydrophobicContact CG-CD2 4.48Å; L509-P534 HydrophobicContact CB-CG 4.01Å
510	P	96.6	Very high	96.7	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.058	20%	0.201	C	C	.	.			trans	-67.1	149.1	173.8	27.6	-33.7	0	0	0	111.6	L486 R488 I490 E512 I513	L486-P510 HydrophobicContact CB-CG 4.24Å; R488-P510 HydrophobicContact CG-CB 4.49Å; I490-P510 HydrophobicContact CG2-CG 3.58Å; P510-E512 WeakPolarHBondContact CB-OE2 3.36Å; P510-E512 PolarHBondContact O-N 3.31Å; P510-I513 WeakPolarHBondContact O-CB 3.35Å; P510-I513 VanDerWaalsContact O-CG2 3.27Å; P510-I513 WeakPolarHBondContact O-CG2 3.29Å; P510-I513 PolarHBondContact O-N 2.93Å; P510-I513 VanDerWaalsContact O-N 3.07Å
511	E	95.3	Very high	96.7	Very high	110 Å²	110	42.5 Å²	42.5	51%	0.514	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-59.9	-32.5	175.8	-66.9	177.7	162.8	0	0	110.9	I513 G514 E536	E511-I513 PolarHBondContact O-N 2.94Å; E511-G514 PolarHBondContact O-N 3.25Å; E511-E536 HydrophobicContact CB-CG 4.17Å; E511-E536 WeakPolarHBondContact O-CB 3.21Å; E511-E536 WeakPolarHBondContact O-CG 3.18Å
512	E	96.9	Very high	96.7	Very high	56 Å²	56	42.5 Å²	42.5	26%	0.262	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-61.9	-7.4	175.2	-61.2	88.4	164.7	0	0	114.2	R488 G491 P510 G514 T515	R488-E512 HydrophobicContact CB-CG 4.34Å; R488-E512 WeakPolarHBondContact CB-OE1 3.44Å; R488-E512 VanDerWaalsContact CD-OE1 3.27Å; R488-E512 WeakPolarHBondContact CD-OE1 3.43Å; R488-E512 WeakPolarHBondContact CG-OE1 3.46Å; R488-E512 WeakPolarHBondContact CG-OE2 3.42Å; R488-E512 IonicContact NE-OE1 3.61Å; R488-E512 IonicContact NH1-OE1 2.7Å; R488-E512 VanDerWaalsContact O-CB 3.28Å; R488-E512 WeakPolarHBondContact O-CB 3.21Å; G491-E512 WeakPolarHBondContact CA-O 3.32Å; P510-E512 WeakPolarHBondContact CB-OE2 3.36Å; P510-E512 PolarHBondContact O-N 3.31Å; E512-G514 PolarHBondContact O-N 3.02Å; E512-T515 PolarHBondContact O-N 2.84Å; E512-T515 PolarHBondContact O-OG1 3.18Å
513	I	95.8	Very high	96.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-58.3	-29.6	170.8	-159.3	74.3	0	0	0	112	I490 L499 P510 E511 T515 L516 P534 L537 C540	I490-I513 HydrophobicContact CG2-CD1 4.46Å; L499-I513 HydrophobicContact CD2-CD1 3.88Å; P510-I513 WeakPolarHBondContact O-CB 3.35Å; P510-I513 VanDerWaalsContact O-CG2 3.27Å; P510-I513 WeakPolarHBondContact O-CG2 3.29Å; P510-I513 PolarHBondContact O-N 2.93Å; P510-I513 VanDerWaalsContact O-N 3.07Å; E511-I513 PolarHBondContact O-N 2.94Å; I513-T515 PolarHBondContact O-N 3.08Å; I513-L516 HydrophobicContact CD1-CD1 3.59Å; I513-L516 HydrophobicContact CG1-CD1 4.23Å; I513-L516 WeakPolarHBondContact O-CB 3.29Å; I513-L516 WeakPolarHBondContact O-CG 3.34Å; I513-L516 PolarHBondContact O-N 2.97Å; I513-P534 HydrophobicContact CG2-CG 3.64Å; I513-L537 HydrophobicContact CG1-CD1 4.29Å; I513-L537 HydrophobicContact CG2-CB 4.28Å; I513-L537 HydrophobicContact CG2-CD1 4.22Å; I513-C540 PolarHBondContact O-SG 3.11Å
514	G	93.4	Very high	96.7	Very high	6 Å²	6	41.7 Å²	41.7	6%	0.062	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-68.8	-10.8	-179.5	0	0	0	0	0	115.4	E511 E512 L516 E536 L539	E511-G514 PolarHBondContact O-N 3.25Å; E512-G514 PolarHBondContact O-N 3.02Å; G514-L516 VanDerWaalsContact C-N 3.29Å; G514-E536 WeakPolarHBondContact CA-O 3.45Å; G514-L539 WeakPolarHBondContact O-CB 3.28Å
515	T	95.6	Very high	96.5	Very high	69 Å²	69	42.9 Å²	42.9	42%	0.423	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-86.5	0.3	175.1	65.2	0	0	0	0	113.1	G491 E512 I513 E517	G491-T515 VanDerWaalsContact C-OG1 3.23Å; G491-T515 WeakPolarHBondContact CA-OG1 3.47Å; G491-T515 PolarHBondContact O-OG1 3.11Å; E512-T515 PolarHBondContact O-N 2.84Å; E512-T515 PolarHBondContact O-OG1 3.18Å; I513-T515 PolarHBondContact O-N 3.08Å; T515-E517 PolarHBondContact O-N 3.44Å
516	L	96.4	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.			trans	-80.4	65.8	175	-58	-178	0	0	0	111	L493 L496 L499 I513 G514 N518 L519	L493-L516 HydrophobicContact CB-CD2 4.09Å; L493-L516 VanDerWaalsContact O-CD2 3.27Å; L493-L516 WeakPolarHBondContact O-CD2 3.3Å; L496-L516 HydrophobicContact CD2-CD1 4.21Å; L499-L516 HydrophobicContact CD2-CD1 4.32Å; I513-L516 HydrophobicContact CD1-CD1 3.59Å; I513-L516 HydrophobicContact CG1-CD1 4.23Å; I513-L516 WeakPolarHBondContact O-CB 3.29Å; I513-L516 WeakPolarHBondContact O-CG 3.34Å; I513-L516 PolarHBondContact O-N 2.97Å; G514-L516 VanDerWaalsContact C-N 3.29Å; L516-N518 PolarHBondContact O-N 3.1Å; L516-N518 VanDerWaalsContact O-N 3.08Å; L516-L519 HydrophobicContact CB-CB 3.91Å; L516-L519 HydrophobicContact CB-CD2 4.44Å; L516-L519 HydrophobicContact CD1-CD2 4.22Å; L516-L519 VanDerWaalsContact O-CB 3.3Å; L516-L519 WeakPolarHBondContact O-CB 3.43Å; L516-L519 PolarHBondContact O-N 3.23Å
517	E	91.3	Very high	96.5	Very high	130 Å²	130	42 Å²	42	61%	0.607	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.8	-175.7	-64.3	-177.4	-179.8	0	0	114.1	T515 K542	T515-E517 PolarHBondContact O-N 3.44Å; E517-K542 WeakPolarHBondContact O-CG 3.3Å
518	N	96.7	Very high	96.5	Very high	46 Å²	46	42.7 Å²	42.7	25%	0.246	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	0.3	178.1	-70.7	-59.6	0	0	0	114.7	T494 L496 T497 L516 E520 K542	T494-N518 WeakPolarHBondContact O-CB 3.33Å; T494-N518 PolarHBondContact O-ND2 3.36Å; L496-N518 CarbonylContact O-C 3.38Å; T497-N518 WeakPolarHBondContact CA-O 3.49Å; L516-N518 PolarHBondContact O-N 3.1Å; L516-N518 VanDerWaalsContact O-N 3.08Å; N518-E520 PolarHBondContact O-N 3.28Å; N518-K542 PolarHBondContact OD1-NZ 3.42Å
519	L	98.1	Very high	96.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.			trans	-67.6	120.2	-176.6	-169	68.9	0	0	0	110.9	L496 L499 L516 L522 K542 L543	L496-L519 HydrophobicContact CD2-CD1 4.38Å; L496-L519 VanDerWaalsContact O-CA 3.24Å; L496-L519 WeakPolarHBondContact O-CA 3.46Å; L496-L519 PolarHBondContact O-N 3.41Å; L496-L519 VanDerWaalsContact O-N 3.14Å; L499-L519 HydrophobicContact CB-CD1 3.8Å; L516-L519 HydrophobicContact CB-CB 3.91Å; L516-L519 HydrophobicContact CB-CD2 4.44Å; L516-L519 HydrophobicContact CD1-CD2 4.22Å; L516-L519 VanDerWaalsContact O-CB 3.3Å; L516-L519 WeakPolarHBondContact O-CB 3.43Å; L516-L519 PolarHBondContact O-N 3.23Å; L519-L522 HydrophobicContact CD2-CB 4.18Å; L519-L522 HydrophobicContact CD2-CD2 4.33Å; L519-K542 CarbonylContact O-C 3.34Å; L519-L543 HydrophobicContact CD2-CD1 4.34Å; L519-L543 HydrophobicContact CG-CD1 4.29Å; L519-L543 WeakPolarHBondContact O-CA 3.17Å; L519-L543 PolarHBondContact O-N 2.7Å
520	E	97.9	Very high	96.6	Very high	87 Å²	87	41.3 Å²	41.3	41%	0.407	21%	0.21	S	C	.	.			trans	-105.9	-34.5	-178.9	-71.3	175.2	-175.2	0	0	111.4	T497 N518 K542 S544 I545	T497-E520 PolarHBondContact O-N 2.7Å; N518-E520 PolarHBondContact O-N 3.28Å; E520-K542 HydrophobicContact CG-CB 4.16Å; E520-S544 PolarHBondContact O-N 3.1Å; E520-S544 PolarHBondContact O-OG 3.19Å; E520-S544 VanDerWaalsContact O-OG 3.08Å; E520-I545 PolarHBondContact O-N 3.19Å
521	E	98.4	Very high	96.5	Very high	58 Å²	58	44.3 Å²	44.3	27%	0.271	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.5	-176	-50.3	-173.8	158.6	0	0	112.2	T497 H498 L499 Y523 I545	T497-E521 PolarHBondContact O-N 2.89Å; H498-E521 IonicContact CE1-OE2 2.72Å; H498-E521 IonicContact CG-OE2 2.69Å; H498-E521 IonicContact ND1-OE2 3.07Å; H498-E521 PolarHBondContact ND1-OE2 3.05Å; L499-E521 PolarHBondContact N-O 3.33Å; E521-Y523 HydrophobicContact CB-CE2 3.91Å; E521-I545 CarbonylContact C-O 3.16Å; E521-I545 WeakPolarHBondContact CA-O 3.41Å; E521-I545 HydrophobicContact CB-CB 4.35Å; E521-I545 HydrophobicContact CG-CB 4.17Å; E521-I545 HydrophobicContact CG-CD1 4.21Å
522	L	98.2	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	111.1	177.7	179.4	58.3	0	0	0	111.6	L499 L501 L519 L524 L537 L543 I545 M546 S547	L499-L522 HydrophobicContact CB-CD1 4Å; L499-L522 HydrophobicContact CD2-CD1 3.96Å; L499-L522 HydrophobicContact CG-CD1 3.92Å; L501-L522 HydrophobicContact CD1-CD1 4.11Å; L519-L522 HydrophobicContact CD2-CB 4.18Å; L519-L522 HydrophobicContact CD2-CD2 4.33Å; L522-L524 HydrophobicContact CD1-CD2 4.18Å; L522-L524 HydrophobicContact CD1-CG 4.22Å; L522-L524 HydrophobicContact CD2-CD1 3.99Å; L522-L524 HydrophobicContact CD2-CG 4.4Å; L522-L524 HydrophobicContact CG-CD1 4.1Å; L522-L524 HydrophobicContact CG-CD2 4.46Å; L522-L524 HydrophobicContact CG-CG 3.99Å; L522-L537 HydrophobicContact CD2-CD1 3.64Å; L522-L537 HydrophobicContact CD2-CD2 4.24Å; L522-L543 HydrophobicContact CB-CD1 3.71Å; L522-L543 HydrophobicContact CD2-CD2 4.48Å; L522-I545 PolarHBondContact N-O 3.15Å; L522-M546 CarbonylContact O-C 3.41Å; L522-M546 VanDerWaalsContact O-CA 3.24Å; L522-M546 WeakPolarHBondContact O-CA 3.41Å; L522-S547 PolarHBondContact O-N 3.01Å
523	Y	98.1	Very high	96.3	Very high	73 Å²	73	39 Å²	39	29%	0.286	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.8	179.3	-63	-93.3	0	0	0	110.7	H498 L499 L501 G502 E521 I545	H498-Y523 AromaticContact CE1-CD2 3.79Å; H498-Y523 AromaticContact CE1-CE2 3.55Å; H498-Y523 AromaticContact ND1-CE2 3.89Å; L499-Y523 PolarHBondContact O-N 2.99Å; L501-Y523 CarbonylContact C-O 3.26Å; L501-Y523 VanDerWaalsContact C-O 3.24Å; L501-Y523 VanDerWaalsContact CA-O 3.23Å; L501-Y523 WeakPolarHBondContact CA-O 3.4Å; L501-Y523 VanDerWaalsContact CB-O 3.29Å; L501-Y523 WeakPolarHBondContact CB-O 3.43Å; L501-Y523 PolarHBondContact N-O 2.99Å; G502-Y523 PolarHBondContact N-O 2.94Å; G502-Y523 VanDerWaalsContact N-O 3.17Å; E521-Y523 HydrophobicContact CB-CE2 3.91Å; Y523-I545 HydrophobicContact CE1-CG2 4.36Å
524	L	97.4	Very high	96.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.			trans	-118.6	3.5	179.8	-61.2	164.6	0	0	0	113	L501 L506 L509 L522 N527 L530 L533 M546 S547 I548 C551	L501-L524 HydrophobicContact CB-CD2 4.1Å; L501-L524 HydrophobicContact CD1-CD2 3.82Å; L506-L524 HydrophobicContact CD1-CD2 4.46Å; L509-L524 HydrophobicContact CD1-CD1 3.9Å; L509-L524 HydrophobicContact CD1-CD2 3.9Å; L509-L524 HydrophobicContact CD2-CD2 3.91Å; L509-L524 HydrophobicContact CG-CD2 4.36Å; L522-L524 HydrophobicContact CD1-CD2 4.18Å; L522-L524 HydrophobicContact CD1-CG 4.22Å; L522-L524 HydrophobicContact CD2-CD1 3.99Å; L522-L524 HydrophobicContact CD2-CG 4.4Å; L522-L524 HydrophobicContact CG-CD1 4.1Å; L522-L524 HydrophobicContact CG-CD2 4.46Å; L522-L524 HydrophobicContact CG-CG 3.99Å; L524-N527 PolarHBondContact O-ND2 3.12Å; L524-L530 HydrophobicContact CB-CD2 4.25Å; L524-L530 HydrophobicContact CD1-CD2 4.44Å; L524-L530 HydrophobicContact CD2-CD2 4.46Å; L524-L533 HydrophobicContact CD1-CD2 3.85Å; L524-M546 HydrophobicContact CD1-CE 3.98Å; L524-S547 WeakPolarHBondContact CA-O 3.33Å; L524-S547 WeakPolarHBondContact CB-O 3.31Å; L524-S547 PolarHBondContact N-O 3.04Å; L524-I548 HydrophobicContact CD1-CG2 4.43Å; L524-C551 PolarHBondContact O-SG 3.41Å
525	N	96.4	Very high	96.1	Very high	28 Å²	28	41.2 Å²	41.2	15%	0.15	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	154.3	-175.9	54.3	-83	0	0	0	113.2	G502 E503 N527 S547 E549	G502-N525 CarbonylContact C-O 3.34Å; G502-N525 WeakPolarHBondContact CA-O 3.2Å; E503-N525 PolarHBondContact N-O 2.82Å; N525-N527 VanDerWaalsContact C-N 3.26Å; N525-N527 PolarHBondContact O-N 2.86Å; N525-N527 PolarHBondContact O-ND2 3.13Å; N525-S547 WeakPolarHBondContact CB-OG 3.43Å; N525-S547 PolarHBondContact N-O 2.97Å; N525-S547 PolarHBondContact OD1-OG 3.38Å; N525-E549 CarbonylContact C-O 3.23Å; N525-E549 WeakPolarHBondContact CA-O 3.24Å; N525-E549 HydrophobicContact CB-CB 4.13Å; N525-E549 WeakPolarHBondContact CB-O 3.44Å
526	D	97.4	Very high	96	Very high	54 Å²	54	39.1 Å²	39.1	29%	0.289	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	37	175.3	-53	-74.7	0	0	0	113.4	E503 N504 P528 E549 N550	E503-D526 WeakPolarHBondContact CA-O 3.42Å; E503-D526 HydrophobicContact CB-CB 4.42Å; E503-D526 HydrophobicContact CG-CB 3.77Å; N504-D526 PolarHBondContact N-O 3.26Å; D526-P528 VanDerWaalsContact O-CD 3.29Å; D526-P528 WeakPolarHBondContact O-CD 3.47Å; D526-E549 PolarHBondContact N-O 2.92Å; D526-N550 WeakPolarHBondContact OD1-CB 3.04Å; D526-N550 PolarHBondContact OD1-ND2 3.2Å
527	N	97.8	Very high	95.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.			trans	-103.8	89.3	166.7	-80.7	-87.1	0	0	0	110	L501 N504 L506 L524 N525 N529 L530 P552	L501-N527 PolarHBondContact O-ND2 2.95Å; N504-N527 WeakPolarHBondContact CA-OD1 3.46Å; N504-N527 WeakPolarHBondContact CB-OD1 3.3Å; N504-N527 PolarHBondContact O-OD1 3.2Å; L506-N527 HydrophobicContact CB-CB 4.46Å; L506-N527 WeakPolarHBondContact CB-OD1 3.33Å; L506-N527 VanDerWaalsContact CG-OD1 3.32Å; L506-N527 WeakPolarHBondContact CG-OD1 3.18Å; L506-N527 PolarHBondContact N-OD1 3.25Å; L524-N527 PolarHBondContact O-ND2 3.12Å; N525-N527 VanDerWaalsContact C-N 3.26Å; N525-N527 PolarHBondContact O-N 2.86Å; N525-N527 PolarHBondContact O-ND2 3.13Å; N527-N529 PolarHBondContact O-N 2.96Å; N527-N529 VanDerWaalsContact O-N 3.13Å; N527-L530 HydrophobicContact CB-CB 3.89Å; N527-L530 HydrophobicContact CB-CD2 4.27Å; N527-L530 WeakPolarHBondContact O-CB 3.26Å; N527-L530 PolarHBondContact O-N 2.94Å; N527-L530 VanDerWaalsContact O-N 3.14Å; N527-P552 WeakPolarHBondContact O-CD 3.31Å
528	P	96.6	Very high	95.8	Very high	74 Å²	74	33.3 Å²	33.3	48%	0.481	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13	-170.6	29	-36.8	0	0	0	114.2	N504 D526 P552	N504-P528 WeakPolarHBondContact O-CD 3.43Å; D526-P528 VanDerWaalsContact O-CD 3.29Å; D526-P528 WeakPolarHBondContact O-CD 3.47Å; P528-P552 WeakPolarHBondContact O-CG 3.21Å
529	N	96.6	Very high	95.6	Very high	68 Å²	68	34.4 Å²	34.4	36%	0.364	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	0.3	178	-58.6	-35.5	0	0	0	113.1	L505 L506 T507 N527 H531	L505-N529 PolarHBondContact O-ND2 3.16Å; L506-N529 CarbonylContact O-C 3.07Å; L506-N529 VanDerWaalsContact O-C 3.23Å; T507-N529 HydrophobicContact CG2-CB 4.15Å; N527-N529 PolarHBondContact O-N 2.96Å; N527-N529 VanDerWaalsContact O-N 3.13Å; N529-H531 PolarHBondContact O-CD2 3.07Å; N529-H531 PolarHBondContact O-N 3.26Å; N529-H531 VanDerWaalsContact O-N 3.11Å
530	L	96.8	Very high	95.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.			trans	-86.5	86.6	-171.6	-171	59.6	0	0	0	111.2	L506 L524 N527 S532 L533 P552 L553	L506-L530 WeakPolarHBondContact O-CA 3.27Å; L506-L530 PolarHBondContact O-N 3.31Å; L524-L530 HydrophobicContact CB-CD2 4.25Å; L524-L530 HydrophobicContact CD1-CD2 4.44Å; L524-L530 HydrophobicContact CD2-CD2 4.46Å; N527-L530 HydrophobicContact CB-CB 3.89Å; N527-L530 HydrophobicContact CB-CD2 4.27Å; N527-L530 WeakPolarHBondContact O-CB 3.26Å; N527-L530 PolarHBondContact O-N 2.94Å; N527-L530 VanDerWaalsContact O-N 3.14Å; L530-S532 WeakPolarHBondContact CD1-O 3.26Å; L530-L533 HydrophobicContact CD2-CD2 4.1Å; L530-L533 HydrophobicContact CG-CD2 4.49Å; L530-P552 WeakPolarHBondContact O-CD 3.4Å; L530-P552 WeakPolarHBondContact O-CG 3.13Å; L530-L553 HydrophobicContact CG-CD2 4.36Å; L530-L553 PolarHBondContact O-N 3.03Å
531	H	94.6	Very high	94.8	Very high	72 Å²	72	35.2 Å²	35.2	33%	0.333	19%	0.193	S	C	.	.			trans	-85.7	-17.6	-175.9	-66.2	-79.1	0	0	0	114.6	N529 L553 S554 H555	N529-H531 PolarHBondContact O-CD2 3.07Å; N529-H531 PolarHBondContact O-N 3.26Å; N529-H531 VanDerWaalsContact O-N 3.11Å; H531-L553 CarbonylContact O-C 3.45Å; H531-L553 WeakPolarHBondContact O-CA 3.43Å; H531-S554 PolarHBondContact ND1-OG 3.31Å; H531-S554 PolarHBondContact O-N 3.17Å; H531-H555 WeakPolarHBondContact O-CB 3.2Å; H531-H555 PolarHBondContact O-N 2.99Å
532	S	93.4	Very high	94.6	Very high	41 Å²	41	37 Å²	37	29%	0.287	20%	0.2	S	C	.	.			trans	-150.9	155	-179.1	40.9	0	0	0	0	112.7	L530 H555	L530-S532 WeakPolarHBondContact CD1-O 3.26Å; S532-H555 WeakPolarHBondContact CB-ND1 3.44Å; S532-H555 PolarHBondContact OG-ND1 3.19Å
533	L	94.8	Very high	94.5	Very high	14 Å²	14	38.6 Å²	38.6	7%	0.073	21%	0.208	C	C	.	.			trans	-117.2	143.2	172.5	-63.9	166.1	0	0	0	109.5	L509 L524 L530 L537 M546 L553 I568 L572	L509-L533 HydrophobicContact CD1-CD2 3.82Å; L509-L533 HydrophobicContact CG-CD2 4.48Å; L524-L533 HydrophobicContact CD1-CD2 3.85Å; L530-L533 HydrophobicContact CD2-CD2 4.1Å; L530-L533 HydrophobicContact CG-CD2 4.49Å; L533-L537 HydrophobicContact CD1-CD2 4.49Å; L533-L537 HydrophobicContact CD2-CD2 4.46Å; L533-M546 HydrophobicContact CD1-CE 3.73Å; L533-L553 HydrophobicContact CD1-CD1 4.37Å; L533-L553 HydrophobicContact CD1-CD2 3.87Å; L533-L553 HydrophobicContact CD2-CD2 4.42Å; L533-L553 HydrophobicContact CG-CD2 3.77Å; L533-I568 HydrophobicContact CD1-CG2 3.9Å; L533-L572 HydrophobicContact CB-CD1 4.25Å
534	P	94.1	Very high	94.2	Very high	16 Å²	16	39.5 Å²	39.5	10%	0.104	23%	0.225	C	C	.	.			trans	-65.3	146.6	174.6	27.8	-34.2	0	0	0	110.5	L509 I513 E536 L537	L509-P534 HydrophobicContact CB-CG 4.01Å; I513-P534 HydrophobicContact CG2-CG 3.64Å; P534-E536 WeakPolarHBondContact CB-OE2 3.43Å; P534-E536 PolarHBondContact O-N 3.26Å; P534-L537 WeakPolarHBondContact O-CB 3.22Å; P534-L537 PolarHBondContact O-N 3.18Å
535	F	91.3	Very high	94.1	Very high	36 Å²	36	42.9 Å²	42.9	16%	0.158	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-73	-24.5	-180	63.1	-78.4	0	0	0	111.1	L537 A538 L572 Q575 E576 K579	F535-L537 PolarHBondContact O-N 2.6Å; F535-L537 VanDerWaalsContact O-N 3.16Å; F535-A538 WeakPolarHBondContact O-CB 3.33Å; F535-A538 PolarHBondContact O-N 3.43Å; F535-L572 HydrophobicContact CB-CD2 4.47Å; F535-Q575 HydrophobicContact CB-CB 4.41Å; F535-E576 HydrophobicContact CD2-CB 3.87Å; F535-E576 HydrophobicContact CD2-CG 3.9Å; F535-E576 HydrophobicContact CE2-CG 4.3Å; F535-K579 HydrophobicContact CD1-CD 3.97Å; F535-K579 VanDerWaalsContact CD1-NZ 3.27Å; F535-K579 HydrophobicContact CD2-CD 4.16Å; F535-K579 HydrophobicContact CE1-CD 3.63Å; F535-K579 HydrophobicContact CE2-CB 4.49Å; F535-K579 HydrophobicContact CE2-CD 3.78Å; F535-K579 HydrophobicContact CG-CD 4.24Å; F535-K579 HydrophobicContact CZ-CD 3.49Å; F535-K579 VanDerWaalsContact CZ-CD 3.49Å
536	E	94.5	Very high	94.1	Very high	25 Å²	25	42.5 Å²	42.5	12%	0.117	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-56.4	-23.2	170.8	-65.6	84	173.1	0	0	113.3	E511 G514 P534 A538 L539	E511-E536 HydrophobicContact CB-CG 4.17Å; E511-E536 WeakPolarHBondContact O-CB 3.21Å; E511-E536 WeakPolarHBondContact O-CG 3.18Å; G514-E536 WeakPolarHBondContact CA-O 3.45Å; P534-E536 WeakPolarHBondContact CB-OE2 3.43Å; P534-E536 PolarHBondContact O-N 3.26Å; E536-A538 PolarHBondContact O-N 3.38Å; E536-A538 VanDerWaalsContact O-N 3.11Å; E536-L539 HydrophobicContact CB-CD1 4.22Å; E536-L539 HydrophobicContact CG-CD1 4.42Å; E536-L539 WeakPolarHBondContact O-CB 3.43Å; E536-L539 WeakPolarHBondContact O-CG 3.28Å; E536-L539 PolarHBondContact O-N 3.48Å
537	L	93.2	Very high	93.9	Very high	1 Å²	1	41 Å²	41	1%	0.005	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-59.8	-22.2	173.1	-173.7	61.1	0	0	0	112.4	I513 L522 L533 P534 F535 L539 C540 L543 M546 I569 L572	I513-L537 HydrophobicContact CG1-CD1 4.29Å; I513-L537 HydrophobicContact CG2-CB 4.28Å; I513-L537 HydrophobicContact CG2-CD1 4.22Å; L522-L537 HydrophobicContact CD2-CD1 3.64Å; L522-L537 HydrophobicContact CD2-CD2 4.24Å; L533-L537 HydrophobicContact CD1-CD2 4.49Å; L533-L537 HydrophobicContact CD2-CD2 4.46Å; P534-L537 WeakPolarHBondContact O-CB 3.22Å; P534-L537 PolarHBondContact O-N 3.18Å; F535-L537 PolarHBondContact O-N 2.6Å; F535-L537 VanDerWaalsContact O-N 3.16Å; L537-L539 PolarHBondContact O-N 3.29Å; L537-C540 PolarHBondContact O-N 3.13Å; L537-L543 HydrophobicContact CD1-CD2 4.06Å; L537-L543 HydrophobicContact CG-CD2 4.39Å; L537-M546 HydrophobicContact CD2-CE 3.55Å; L537-M546 HydrophobicContact CD2-SD 4.31Å; L537-I569 HydrophobicContact CD2-CD1 4.29Å; L537-I569 HydrophobicContact CG-CD1 4.04Å; L537-L572 HydrophobicContact CB-CD1 4.33Å; L537-L572 HydrophobicContact CD2-CD1 4.48Å
538	A	90.3	Very high	93.7	Very high	7 Å²	7	41.9 Å²	41.9	6%	0.058	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-61.6	-24.2	170.2	0	0	0	0	0	114.5	F535 E536 L572 K573	F535-A538 WeakPolarHBondContact O-CB 3.33Å; F535-A538 PolarHBondContact O-N 3.43Å; E536-A538 PolarHBondContact O-N 3.38Å; E536-A538 VanDerWaalsContact O-N 3.11Å; A538-L572 HydrophobicContact CB-CB 4.23Å; A538-K573 HydrophobicContact CB-CB 4.37Å; A538-K573 HydrophobicContact CB-CG 3.52Å; A538-K573 VanDerWaalsContact O-CE 3.3Å; A538-K573 WeakPolarHBondContact O-CE 3.42Å
539	L	91.1	Very high	93.6	Very high	68 Å²	68	45.1 Å²	45.1	36%	0.356	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-79.3	-17	-176.9	-56.9	173.3	0	0	0	112.7	G514 E536 L537 S541	G514-L539 WeakPolarHBondContact O-CB 3.28Å; E536-L539 HydrophobicContact CB-CD1 4.22Å; E536-L539 HydrophobicContact CG-CD1 4.42Å; E536-L539 WeakPolarHBondContact O-CB 3.43Å; E536-L539 WeakPolarHBondContact O-CG 3.28Å; E536-L539 PolarHBondContact O-N 3.48Å; L537-L539 PolarHBondContact O-N 3.29Å; L539-S541 PolarHBondContact O-N 3.44Å
540	C	92.3	Very high	93.3	Very high	7 Å²	7	47.6 Å²	47.6	5%	0.047	26%	0.261	C	S	.	.			trans	-67.7	77.3	174.2	-60.5	0	0	0	0	110.4	I513 L537 K542 L543	I513-C540 PolarHBondContact O-SG 3.11Å; L537-C540 PolarHBondContact O-N 3.13Å; C540-K542 PolarHBondContact O-N 2.97Å; C540-K542 VanDerWaalsContact O-N 3.12Å; C540-L543 HydrophobicContact CB-CB 3.93Å; C540-L543 HydrophobicContact CB-CD2 4.44Å; C540-L543 VanDerWaalsContact O-CB 3.24Å; C540-L543 WeakPolarHBondContact O-CB 3.28Å; C540-L543 PolarHBondContact O-N 3.2Å
541	S	88.1	Confident	93.2	Very high	97 Å²	97	48.3 Å²	48.3	68%	0.678	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.6	-165.9	67.3	0	0	0	0	115.1	L539	L539-S541 PolarHBondContact O-N 3.44Å
542	K	94.6	Very high	93.1	Very high	97 Å²	97	47.3 Å²	47.3	42%	0.422	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-4.3	176.3	-62.3	-168.4	-168.3	174.3	0	114.5	E517 N518 L519 E520 C540 S544	E517-K542 WeakPolarHBondContact O-CG 3.3Å; N518-K542 PolarHBondContact OD1-NZ 3.42Å; L519-K542 CarbonylContact O-C 3.34Å; E520-K542 HydrophobicContact CG-CB 4.16Å; C540-K542 PolarHBondContact O-N 2.97Å; C540-K542 VanDerWaalsContact O-N 3.12Å; K542-S544 PolarHBondContact O-N 2.96Å
543	L	94.8	Very high	93.1	Very high	32 Å²	32	45.5 Å²	45.5	17%	0.168	25%	0.252	C	S	.	.			trans	-63.1	113.5	-174.3	-176.9	62.8	0	0	0	109.8	L519 L522 L537 C540 I545 M546 I569	L519-L543 HydrophobicContact CD2-CD1 4.34Å; L519-L543 HydrophobicContact CG-CD1 4.29Å; L519-L543 WeakPolarHBondContact O-CA 3.17Å; L519-L543 PolarHBondContact O-N 2.7Å; L522-L543 HydrophobicContact CB-CD1 3.71Å; L522-L543 HydrophobicContact CD2-CD2 4.48Å; L537-L543 HydrophobicContact CD1-CD2 4.06Å; L537-L543 HydrophobicContact CG-CD2 4.39Å; C540-L543 HydrophobicContact CB-CB 3.93Å; C540-L543 HydrophobicContact CB-CD2 4.44Å; C540-L543 VanDerWaalsContact O-CB 3.24Å; C540-L543 WeakPolarHBondContact O-CB 3.28Å; C540-L543 PolarHBondContact O-N 3.2Å; L543-I545 WeakPolarHBondContact CD1-O 3.41Å; L543-M546 HydrophobicContact CD2-SD 4.24Å; L543-I569 HydrophobicContact CD2-CD1 4.05Å
544	S	93.1	Very high	92.9	Very high	92 Å²	92	48.3 Å²	48.3	64%	0.643	27%	0.273	S	S	*	.			trans	-118.6	-33.7	-171.2	70.9	0	0	0	0	112.3	E520 K542	E520-S544 PolarHBondContact O-N 3.1Å; E520-S544 PolarHBondContact O-OG 3.19Å; E520-S544 VanDerWaalsContact O-OG 3.08Å; K542-S544 PolarHBondContact O-N 2.96Å
545	I	94.6	Very high	92.7	Very high	72 Å²	72	54 Å²	54	37%	0.369	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125	175.9	-60.4	179.4	0	0	0	108	E520 E521 L522 Y523 L543	E520-I545 PolarHBondContact O-N 3.19Å; E521-I545 CarbonylContact C-O 3.16Å; E521-I545 WeakPolarHBondContact CA-O 3.41Å; E521-I545 HydrophobicContact CB-CB 4.35Å; E521-I545 HydrophobicContact CG-CB 4.17Å; E521-I545 HydrophobicContact CG-CD1 4.21Å; L522-I545 PolarHBondContact N-O 3.15Å; Y523-I545 HydrophobicContact CE1-CG2 4.36Å; L543-I545 WeakPolarHBondContact CD1-O 3.41Å
546	M	95.8	Very high	92.7	Very high	20 Å²	20	52.9 Å²	52.9	10%	0.099	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	123.2	175.8	178.1	-179.9	-177.1	0	0	109.2	L522 L524 L533 L537 L543 I548 P565 I569	L522-M546 CarbonylContact O-C 3.41Å; L522-M546 VanDerWaalsContact O-CA 3.24Å; L522-M546 WeakPolarHBondContact O-CA 3.41Å; L524-M546 HydrophobicContact CD1-CE 3.98Å; L533-M546 HydrophobicContact CD1-CE 3.73Å; L537-M546 HydrophobicContact CD2-CE 3.55Å; L537-M546 HydrophobicContact CD2-SD 4.31Å; L543-M546 HydrophobicContact CD2-SD 4.24Å; M546-I548 HydrophobicContact CE-CG2 3.68Å; M546-I548 HydrophobicContact CG-CG2 4.18Å; M546-P565 HydrophobicContact CB-CB 3.89Å; M546-P565 HydrophobicContact CB-CG 4.49Å; M546-P565 HydrophobicContact CG-CB 4.12Å; M546-P565 WeakPolarHBondContact O-CG 3.21Å; M546-P565 HydrophobicContact SD-CB 4.19Å; M546-I569 HydrophobicContact SD-CD1 3.94Å; M546-I569 HydrophobicContact SD-CG1 4.08Å
547	S	94.7	Very high	92.4	Very high	22 Å²	22	53.9 Å²	53.9	15%	0.154	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.4	176.3	-172.5	0	0	0	0	110.2	L522 L524 N525	L522-S547 PolarHBondContact O-N 3.01Å; L524-S547 WeakPolarHBondContact CA-O 3.33Å; L524-S547 WeakPolarHBondContact CB-O 3.31Å; L524-S547 PolarHBondContact N-O 3.04Å; N525-S547 WeakPolarHBondContact CB-OG 3.43Å; N525-S547 PolarHBondContact N-O 2.97Å; N525-S547 PolarHBondContact OD1-OG 3.38Å
548	I	93.4	Very high	92.2	Very high	19 Å²	19	58.5 Å²	58.5	10%	0.097	33%	0.333	C	S	.	.			trans	-144.1	13.9	-175.6	56.9	176.1	0	0	0	112.3	L524 M546 C551 L553 P565 I568	L524-I548 HydrophobicContact CD1-CG2 4.43Å; M546-I548 HydrophobicContact CE-CG2 3.68Å; M546-I548 HydrophobicContact CG-CG2 4.18Å; I548-C551 WeakPolarHBondContact O-CB 3.34Å; I548-C551 PolarHBondContact O-N 3.23Å; I548-L553 HydrophobicContact CB-CD1 4.28Å; I548-L553 HydrophobicContact CD1-CD1 4.14Å; I548-P565 HydrophobicContact CD1-CG 4.04Å; I548-P565 HydrophobicContact CG1-CG 4.14Å; I548-I568 HydrophobicContact CD1-CD1 3.19Å
549	E	92.9	Very high	92.1	Very high	141 Å²	141	65 Å²	65	66%	0.659	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	142	-179.5	-61	-176.2	-178.5	0	0	109.7	N525 D526 C551	N525-E549 CarbonylContact C-O 3.23Å; N525-E549 WeakPolarHBondContact CA-O 3.24Å; N525-E549 HydrophobicContact CB-CB 4.13Å; N525-E549 WeakPolarHBondContact CB-O 3.44Å; D526-E549 PolarHBondContact N-O 2.92Å; E549-C551 PolarHBondContact O-N 3.1Å
550	N	92.3	Very high	92	Very high	121 Å²	121	63.4 Å²	63.4	65%	0.647	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	18.2	-177.6	-53.5	-34	0	0	0	116.4	D526	D526-N550 WeakPolarHBondContact OD1-CB 3.04Å; D526-N550 PolarHBondContact OD1-ND2 3.2Å
551	C	94.6	Very high	91.8	Very high	14 Å²	14	65 Å²	65	10%	0.095	36%	0.363	C	S	.	.			trans	-88.9	133.6	164.6	-62	0	0	0	0	110.5	L524 I548 E549 L553	L524-C551 PolarHBondContact O-SG 3.41Å; I548-C551 WeakPolarHBondContact O-CB 3.34Å; I548-C551 PolarHBondContact O-N 3.23Å; E549-C551 PolarHBondContact O-N 3.1Å; C551-L553 HydrophobicContact CB-CD1 4.28Å; C551-L553 HydrophobicContact CB-CD2 4.38Å; C551-L553 HydrophobicContact CB-CG 3.85Å
552	P	92.1	Very high	91.7	Very high	52 Å²	52	64.8 Å²	64.8	34%	0.338	37%	0.366	S	S	.	.			trans	-70.6	-33.8	-177	28.2	-35.6	0	0	0	113.2	N527 P528 L530 S554	N527-P552 WeakPolarHBondContact O-CD 3.31Å; P528-P552 WeakPolarHBondContact O-CG 3.21Å; L530-P552 WeakPolarHBondContact O-CD 3.4Å; L530-P552 WeakPolarHBondContact O-CG 3.13Å; P552-S554 PolarHBondContact O-N 2.9Å
553	L	92.9	Very high	91.3	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	36%	0.362	C	S	.	.			trans	44.1	31.9	176.7	-63.5	178.8	0	0	0	115	L530 H531 L533 I548 C551 H555 L556 V561 I568	L530-L553 HydrophobicContact CG-CD2 4.36Å; L530-L553 PolarHBondContact O-N 3.03Å; H531-L553 CarbonylContact O-C 3.45Å; H531-L553 WeakPolarHBondContact O-CA 3.43Å; L533-L553 HydrophobicContact CD1-CD1 4.37Å; L533-L553 HydrophobicContact CD1-CD2 3.87Å; L533-L553 HydrophobicContact CD2-CD2 4.42Å; L533-L553 HydrophobicContact CG-CD2 3.77Å; I548-L553 HydrophobicContact CB-CD1 4.28Å; I548-L553 HydrophobicContact CD1-CD1 4.14Å; C551-L553 HydrophobicContact CB-CD1 4.28Å; C551-L553 HydrophobicContact CB-CD2 4.38Å; C551-L553 HydrophobicContact CB-CG 3.85Å; L553-H555 PolarHBondContact O-N 3.08Å; L553-L556 HydrophobicContact CB-CD1 4.38Å; L553-L556 WeakPolarHBondContact O-CB 3.22Å; L553-L556 PolarHBondContact O-N 3.12Å; L553-V561 HydrophobicContact CB-CG1 4.38Å; L553-V561 HydrophobicContact CB-CG2 4Å; L553-V561 HydrophobicContact CD1-CG1 4.37Å; L553-I568 HydrophobicContact CD1-CD1 3.94Å
554	S	91.1	Very high	91	Very high	74 Å²	74	60.9 Å²	60.9	52%	0.517	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.5	-166.3	57	0	0	0	0	115.4	H531 P552 L556	H531-S554 PolarHBondContact ND1-OG 3.31Å; H531-S554 PolarHBondContact O-N 3.17Å; P552-S554 PolarHBondContact O-N 2.9Å; S554-L556 VanDerWaalsContact C-N 3.35Å
555	H	90.4	Very high	90.8	Very high	135 Å²	135	58.5 Å²	58.5	63%	0.625	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.4	170.9	-59.5	157.9	0	0	0	113.2	H531 S532 L553	H531-H555 WeakPolarHBondContact O-CB 3.2Å; H531-H555 PolarHBondContact O-N 2.99Å; S532-H555 WeakPolarHBondContact CB-ND1 3.44Å; S532-H555 PolarHBondContact OG-ND1 3.19Å; L553-H555 PolarHBondContact O-N 3.08Å
556	L	89.8	Confident	90.6	Very high	13 Å²	13	59.6 Å²	59.6	7%	0.068	36%	0.358	C	S	.	.	S	Bend	trans	-97.6	150.9	173.3	-61	-180	0	0	0	110.9	L553 S554 V561 I568 F571 L572	L553-L556 HydrophobicContact CB-CD1 4.38Å; L553-L556 WeakPolarHBondContact O-CB 3.22Å; L553-L556 PolarHBondContact O-N 3.12Å; S554-L556 VanDerWaalsContact C-N 3.35Å; L556-V561 HydrophobicContact CB-CG2 3.72Å; L556-V561 HydrophobicContact CD1-CG2 4.46Å; L556-I568 HydrophobicContact CD1-CD1 4.45Å; L556-I568 HydrophobicContact CD1-CG1 4.07Å; L556-I568 HydrophobicContact CD1-CG2 3.9Å; L556-F571 HydrophobicContact CD2-CD1 3.89Å; L556-F571 HydrophobicContact CD2-CE1 3.71Å; L556-L572 HydrophobicContact CD2-CD2 4.46Å
557	P	89.1	Confident	90.3	Very high	45 Å²	45	63.8 Å²	63.8	29%	0.292	38%	0.376	S	S	.	.			trans	-60.2	132.9	176.5	-21.3	32.3	0	0	0	111.2	Q559 I560 V561 F571	P557-Q559 PolarHBondContact O-N 2.89Å; P557-I560 HydrophobicContact CB-CB 4.38Å; P557-I560 HydrophobicContact CB-CG1 3.99Å; P557-I560 HydrophobicContact CG-CG1 4.06Å; P557-I560 WeakPolarHBondContact O-CA 3.48Å; P557-I560 WeakPolarHBondContact O-CB 3.2Å; P557-I560 PolarHBondContact O-N 3.05Å; P557-V561 PolarHBondContact O-N 2.92Å; P557-V561 VanDerWaalsContact O-N 3.16Å; P557-F571 HydrophobicContact CG-CE2 3.88Å; P557-F571 HydrophobicContact CG-CZ 3.89Å
558	P	87.5	Confident	90.1	Very high	99 Å²	99	62.8 Å²	62.8	64%	0.643	37%	0.369	S	S	*	.	H	α-helix	trans	-56	-31	-176.4	-29	35.9	0	0	0	114.5	I560 V561 A562	P558-I560 VanDerWaalsContact C-N 3.35Å; P558-V561 PolarHBondContact O-N 3.39Å; P558-A562 VanDerWaalsContact O-CB 3.29Å; P558-A562 WeakPolarHBondContact O-CB 3.17Å; P558-A562 PolarHBondContact O-N 3.15Å
559	Q	88.4	Confident	89.9	Confident	143 Å²	143	63.3 Å²	63.3	67%	0.668	37%	0.371	S	S	*	.	H	α-helix	trans	-67.3	-34.4	176.1	-56.7	82.5	-2.2	0	0	112.4	P557 G563	P557-Q559 PolarHBondContact O-N 2.89Å; Q559-G563 PolarHBondContact O-N 2.94Å; Q559-G563 VanDerWaalsContact O-N 3.12Å
560	I	89.6	Confident	89.7	Confident	35 Å²	35	62.4 Å²	62.4	18%	0.179	37%	0.367	C	S	.	.	H	α-helix	trans	-72	-42.7	176.3	-63.8	-61.9	0	0	0	110	P557 P558 G563 F567 I568 F571	P557-I560 HydrophobicContact CB-CB 4.38Å; P557-I560 HydrophobicContact CB-CG1 3.99Å; P557-I560 HydrophobicContact CG-CG1 4.06Å; P557-I560 WeakPolarHBondContact O-CA 3.48Å; P557-I560 WeakPolarHBondContact O-CB 3.2Å; P557-I560 PolarHBondContact O-N 3.05Å; P558-I560 VanDerWaalsContact C-N 3.35Å; I560-G563 PolarHBondContact O-N 3.33Å; I560-F567 HydrophobicContact CG2-CB 4.42Å; I560-I568 HydrophobicContact CG2-CB 4.39Å; I560-I568 HydrophobicContact CG2-CG1 3.79Å; I560-F571 HydrophobicContact CD1-CB 4.3Å; I560-F571 HydrophobicContact CD1-CD2 4.26Å; I560-F571 HydrophobicContact CG1-CB 4.38Å; I560-F571 HydrophobicContact CG1-CD2 4.01Å; I560-F571 HydrophobicContact CG1-CG 4.27Å; I560-F571 HydrophobicContact CG2-CB 3.75Å; I560-F571 HydrophobicContact CG2-CG 4.11Å
561	V	87.8	Confident	89.5	Confident	41 Å²	41	58.8 Å²	58.8	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-43.2	176.4	-177	0	0	0	0	111.2	L553 L556 P557 P558 G563 G564	L553-V561 HydrophobicContact CB-CG1 4.38Å; L553-V561 HydrophobicContact CB-CG2 4Å; L553-V561 HydrophobicContact CD1-CG1 4.37Å; L556-V561 HydrophobicContact CB-CG2 3.72Å; L556-V561 HydrophobicContact CD1-CG2 4.46Å; P557-V561 PolarHBondContact O-N 2.92Å; P557-V561 VanDerWaalsContact O-N 3.16Å; P558-V561 PolarHBondContact O-N 3.39Å; V561-G563 VanDerWaalsContact C-N 3.26Å; V561-G563 PolarHBondContact O-N 3.02Å; V561-G564 PolarHBondContact O-N 3.28Å
562	A	86.2	Confident	89.3	Confident	91 Å²	91	58.1 Å²	58.1	75%	0.752	34%	0.341	S	S	*	.	H	α-helix	trans	-66	-24.7	175.6	0	0	0	0	0	113.9	P558 G564	P558-A562 VanDerWaalsContact O-CB 3.29Å; P558-A562 WeakPolarHBondContact O-CB 3.17Å; P558-A562 PolarHBondContact O-N 3.15Å; A562-G564 PolarHBondContact O-N 3.27Å
563	G	85.6	Confident	89	Confident	31 Å²	31	60.6 Å²	60.6	32%	0.32	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.2	170.5	0	0	0	0	0	114.1	Q559 I560 V561 F567	Q559-G563 PolarHBondContact O-N 2.94Å; Q559-G563 VanDerWaalsContact O-N 3.12Å; I560-G563 PolarHBondContact O-N 3.33Å; V561-G563 VanDerWaalsContact C-N 3.26Å; V561-G563 PolarHBondContact O-N 3.02Å; G563-F567 WeakPolarHBondContact O-CD2 3.46Å
564	G	89.1	Confident	88.7	Confident	17 Å²	17	66 Å²	66	18%	0.175	37%	0.373	C	S	.	.			trans	75.7	-169.9	177.5	0	0	0	0	0	114.4	V561 A562 S566 F567 I568	V561-G564 PolarHBondContact O-N 3.28Å; A562-G564 PolarHBondContact O-N 3.27Å; G564-S566 VanDerWaalsContact C-N 3.33Å; G564-S566 PolarHBondContact O-N 3.18Å; G564-F567 PolarHBondContact O-N 2.85Å; G564-F567 VanDerWaalsContact O-N 3.16Å; G564-I568 PolarHBondContact O-N 3.04Å
565	P	89.6	Confident	88.2	Confident	42 Å²	42	66.1 Å²	66.1	27%	0.273	37%	0.366	S	S	.	.	H	α-helix	trans	-56.4	-40.6	-168.6	-23.2	29.2	0	0	0	114.4	M546 I548 F567 I568 I569	M546-P565 HydrophobicContact CB-CB 3.89Å; M546-P565 HydrophobicContact CB-CG 4.49Å; M546-P565 HydrophobicContact CG-CB 4.12Å; M546-P565 WeakPolarHBondContact O-CG 3.21Å; M546-P565 HydrophobicContact SD-CB 4.19Å; I548-P565 HydrophobicContact CD1-CG 4.04Å; I548-P565 HydrophobicContact CG1-CG 4.14Å; P565-F567 PolarHBondContact O-N 2.84Å; P565-I568 PolarHBondContact O-N 3.2Å; P565-I569 WeakPolarHBondContact O-CG1 3.39Å; P565-I569 PolarHBondContact O-N 2.66Å
566	S	89.1	Confident	87.7	Confident	94 Å²	94	61.2 Å²	61.2	66%	0.657	34%	0.343	S	S	*	.	H	α-helix	trans	-62.4	-40.1	-179	-51.2	0	0	0	0	112.8	G564 Q570	G564-S566 VanDerWaalsContact C-N 3.33Å; G564-S566 PolarHBondContact O-N 3.18Å; S566-Q570 WeakPolarHBondContact O-CB 3.26Å; S566-Q570 PolarHBondContact O-N 2.7Å; S566-Q570 VanDerWaalsContact O-N 3.07Å
567	F	89.8	Confident	86.8	Confident	109 Å²	109	63.4 Å²	63.4	48%	0.478	36%	0.359	S	S	.	.	H	α-helix	trans	-69.8	-38.8	176.9	-83.6	-107.8	0	0	0	111.3	I560 G563 G564 P565 Q570 F571	I560-F567 HydrophobicContact CG2-CB 4.42Å; G563-F567 WeakPolarHBondContact O-CD2 3.46Å; G564-F567 PolarHBondContact O-N 2.85Å; G564-F567 VanDerWaalsContact O-N 3.16Å; P565-F567 PolarHBondContact O-N 2.84Å; F567-Q570 PolarHBondContact O-N 3.03Å; F567-F571 WeakPolarHBondContact O-CB 3.33Å; F567-F571 PolarHBondContact O-N 2.91Å
568	I	90.6	Very high	86	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.8	-50	174.8	-70.2	160.5	0	0	0	110.6	L533 I548 L553 L556 I560 G564 P565 Q570 F571 L572	L533-I568 HydrophobicContact CD1-CG2 3.9Å; I548-I568 HydrophobicContact CD1-CD1 3.19Å; L553-I568 HydrophobicContact CD1-CD1 3.94Å; L556-I568 HydrophobicContact CD1-CD1 4.45Å; L556-I568 HydrophobicContact CD1-CG1 4.07Å; L556-I568 HydrophobicContact CD1-CG2 3.9Å; I560-I568 HydrophobicContact CG2-CB 4.39Å; I560-I568 HydrophobicContact CG2-CG1 3.79Å; G564-I568 PolarHBondContact O-N 3.04Å; P565-I568 PolarHBondContact O-N 3.2Å; I568-Q570 VanDerWaalsContact C-N 3.29Å; I568-Q570 PolarHBondContact O-N 2.79Å; I568-F571 PolarHBondContact O-N 3.42Å; I568-F571 VanDerWaalsContact O-N 3.12Å; I568-L572 HydrophobicContact CG2-CD1 3.85Å; I568-L572 HydrophobicContact CG2-CG 4.26Å; I568-L572 VanDerWaalsContact O-CG 3.31Å; I568-L572 WeakPolarHBondContact O-CG 3.46Å; I568-L572 PolarHBondContact O-N 2.77Å
569	I	89.3	Confident	85	Confident	30 Å²	30	68.7 Å²	68.7	15%	0.154	37%	0.373	C	S	.	.	H	α-helix	trans	-60.2	-38.8	177.8	-67	-65.7	0	0	0	111.5	L537 L543 M546 P565 K573	L537-I569 HydrophobicContact CD2-CD1 4.29Å; L537-I569 HydrophobicContact CG-CD1 4.04Å; L543-I569 HydrophobicContact CD2-CD1 4.05Å; M546-I569 HydrophobicContact SD-CD1 3.94Å; M546-I569 HydrophobicContact SD-CG1 4.08Å; P565-I569 WeakPolarHBondContact O-CG1 3.39Å; P565-I569 PolarHBondContact O-N 2.66Å; I569-K573 HydrophobicContact CG2-CD 4.29Å; I569-K573 WeakPolarHBondContact O-CG 3.29Å; I569-K573 PolarHBondContact O-N 3.02Å
570	Q	88.1	Confident	83.5	Confident	123 Å²	123	69.8 Å²	69.8	58%	0.575	37%	0.371	S	S	*	.	H	α-helix	trans	-65.6	-40.6	174.8	-173.4	174.8	-0.8	0	0	112.5	S566 F567 I568 K573 M574	S566-Q570 WeakPolarHBondContact O-CB 3.26Å; S566-Q570 PolarHBondContact O-N 2.7Å; S566-Q570 VanDerWaalsContact O-N 3.07Å; F567-Q570 PolarHBondContact O-N 3.03Å; I568-Q570 VanDerWaalsContact C-N 3.29Å; I568-Q570 PolarHBondContact O-N 2.79Å; Q570-K573 WeakPolarHBondContact O-CB 3.41Å; Q570-K573 PolarHBondContact O-N 3.15Å; Q570-M574 PolarHBondContact O-N 3.04Å
571	F	89.5	Confident	81.8	Confident	44 Å²	44	74.8 Å²	74.8	19%	0.193	39%	0.392	C	S	.	.	H	α-helix	trans	-65.6	-42.9	176.1	179.4	-96.8	0	0	0	112.1	L556 P557 I560 F567 I568 K573 M574 Q575	L556-F571 HydrophobicContact CD2-CD1 3.89Å; L556-F571 HydrophobicContact CD2-CE1 3.71Å; P557-F571 HydrophobicContact CG-CE2 3.88Å; P557-F571 HydrophobicContact CG-CZ 3.89Å; I560-F571 HydrophobicContact CD1-CB 4.3Å; I560-F571 HydrophobicContact CD1-CD2 4.26Å; I560-F571 HydrophobicContact CG1-CB 4.38Å; I560-F571 HydrophobicContact CG1-CD2 4.01Å; I560-F571 HydrophobicContact CG1-CG 4.27Å; I560-F571 HydrophobicContact CG2-CB 3.75Å; I560-F571 HydrophobicContact CG2-CG 4.11Å; F567-F571 WeakPolarHBondContact O-CB 3.33Å; F567-F571 PolarHBondContact O-N 2.91Å; I568-F571 PolarHBondContact O-N 3.42Å; I568-F571 VanDerWaalsContact O-N 3.12Å; F571-K573 VanDerWaalsContact C-N 3.34Å; F571-K573 PolarHBondContact O-N 3.02Å; F571-M574 WeakPolarHBondContact O-CB 3.46Å; F571-M574 PolarHBondContact O-N 3.22Å; F571-M574 VanDerWaalsContact O-N 3.12Å; F571-Q575 HydrophobicContact CD1-CG 4.36Å; F571-Q575 HydrophobicContact CE1-CG 3.96Å; F571-Q575 HydrophobicContact CZ-CG 4.2Å; F571-Q575 PolarHBondContact O-N 3.13Å
572	L	89.1	Confident	79.9	Confident	0 Å²	0	78 Å²	78	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-62.7	-39.3	175.9	-64.9	174	0	0	0	111.4	L533 F535 L537 A538 L556 I568 M574 Q575 E576	L533-L572 HydrophobicContact CB-CD1 4.25Å; F535-L572 HydrophobicContact CB-CD2 4.47Å; L537-L572 HydrophobicContact CB-CD1 4.33Å; L537-L572 HydrophobicContact CD2-CD1 4.48Å; A538-L572 HydrophobicContact CB-CB 4.23Å; L556-L572 HydrophobicContact CD2-CD2 4.46Å; I568-L572 HydrophobicContact CG2-CD1 3.85Å; I568-L572 HydrophobicContact CG2-CG 4.26Å; I568-L572 VanDerWaalsContact O-CG 3.31Å; I568-L572 WeakPolarHBondContact O-CG 3.46Å; I568-L572 PolarHBondContact O-N 2.77Å; L572-M574 VanDerWaalsContact C-N 3.31Å; L572-M574 PolarHBondContact O-N 3.19Å; L572-Q575 PolarHBondContact O-N 2.85Å; L572-Q575 VanDerWaalsContact O-N 3.15Å; L572-E576 PolarHBondContact O-N 3.13Å
573	K	86.8	Confident	77.9	Confident	104 Å²	104	81.2 Å²	81.2	45%	0.452	42%	0.415	S	S	.	.	H	α-helix	trans	-58.3	-38.3	171.5	-76.7	173.2	-179.4	179.5	0	112.9	A538 I569 Q570 F571 S577	A538-K573 HydrophobicContact CB-CB 4.37Å; A538-K573 HydrophobicContact CB-CG 3.52Å; A538-K573 VanDerWaalsContact O-CE 3.3Å; A538-K573 WeakPolarHBondContact O-CE 3.42Å; I569-K573 HydrophobicContact CG2-CD 4.29Å; I569-K573 WeakPolarHBondContact O-CG 3.29Å; I569-K573 PolarHBondContact O-N 3.02Å; Q570-K573 WeakPolarHBondContact O-CB 3.41Å; Q570-K573 PolarHBondContact O-N 3.15Å; F571-K573 VanDerWaalsContact C-N 3.34Å; F571-K573 PolarHBondContact O-N 3.02Å; K573-S577 PolarHBondContact O-N 3.17Å
574	M	86.2	Confident	75.7	Confident	115 Å²	115	87 Å²	87	57%	0.567	44%	0.438	S	S	*	.	H	α-helix	trans	-70.1	-37.9	174.6	-67.3	-178.3	68.4	0	0	112.4	Q570 F571 L572 S577 L578	Q570-M574 PolarHBondContact O-N 3.04Å; F571-M574 WeakPolarHBondContact O-CB 3.46Å; F571-M574 PolarHBondContact O-N 3.22Å; F571-M574 VanDerWaalsContact O-N 3.12Å; L572-M574 VanDerWaalsContact C-N 3.31Å; L572-M574 PolarHBondContact O-N 3.19Å; M574-S577 PolarHBondContact O-OG 3.37Å; M574-L578 WeakPolarHBondContact O-CD1 3.32Å; M574-L578 WeakPolarHBondContact O-CG 3.28Å; M574-L578 PolarHBondContact O-N 3.2Å
575	Q	81.8	Confident	73.2	Confident	78 Å²	78	92.5 Å²	92.5	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-68.7	-36.5	175.9	-69.8	-167	-39.6	0	0	112.6	F535 F571 L572 L578 K579	F535-Q575 HydrophobicContact CB-CB 4.41Å; F571-Q575 HydrophobicContact CD1-CG 4.36Å; F571-Q575 HydrophobicContact CE1-CG 3.96Å; F571-Q575 HydrophobicContact CZ-CG 4.2Å; F571-Q575 PolarHBondContact O-N 3.13Å; L572-Q575 PolarHBondContact O-N 2.85Å; L572-Q575 VanDerWaalsContact O-N 3.15Å; Q575-L578 PolarHBondContact O-N 3.15Å; Q575-K579 PolarHBondContact O-N 3.45Å
576	E	77.9	Confident	70.8	Confident	31 Å²	31	95.8 Å²	95.8	15%	0.145	49%	0.491	C	S	.	.	H	α-helix	trans	-59.4	-48.6	173.7	-167.9	-133.1	136.1	0	0	111.3	F535 L572 L578 K579 R580	F535-E576 HydrophobicContact CD2-CB 3.87Å; F535-E576 HydrophobicContact CD2-CG 3.9Å; F535-E576 HydrophobicContact CE2-CG 4.3Å; L572-E576 PolarHBondContact O-N 3.13Å; E576-L578 PolarHBondContact O-N 3.28Å; E576-K579 PolarHBondContact O-N 3.28Å; E576-R580 PolarHBondContact O-N 3.23Å; E576-R580 WeakPolarHBondContact OE1-CD 3.49Å; E576-R580 IonicContact OE1-CZ 3.33Å; E576-R580 IonicContact OE1-NE 2.76Å; E576-R580 IonicContact OE1-NH1 3.44Å; E576-R580 PolarHBondContact OE1-NH1 3.37Å
577	S	71.9	Confident	68.2	Low	59 Å²	59	97.5 Å²	97.5	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-64.1	-38.8	-179.9	69.4	0	0	0	0	112.7	K573 M574 K579 R580 F581	K573-S577 PolarHBondContact O-N 3.17Å; M574-S577 PolarHBondContact O-OG 3.37Å; S577-K579 PolarHBondContact O-N 3.42Å; S577-R580 PolarHBondContact O-N 3.31Å; S577-F581 PolarHBondContact O-N 3.29Å
578	L	71.7	Confident	65.5	Low	124 Å²	124	101.4 Å²	101.4	65%	0.649	52%	0.517	S	S	*	.	H	α-helix	trans	-64.9	-34.9	174.2	-71.9	165.7	0	0	0	112.9	M574 Q575 E576 F581	M574-L578 WeakPolarHBondContact O-CD1 3.32Å; M574-L578 WeakPolarHBondContact O-CG 3.28Å; M574-L578 PolarHBondContact O-N 3.2Å; Q575-L578 PolarHBondContact O-N 3.15Å; E576-L578 PolarHBondContact O-N 3.28Å; L578-F581 CarbonylContact O-C 3.24Å
579	K	66.6	Low	62.8	Low	131 Å²	131	106.4 Å²	106.4	57%	0.57	56%	0.559	S	S	*	*	H	α-helix	trans	-75.4	-35.2	173.9	-80	-173.6	173.7	-173.4	0	113.1	F535 Q575 E576 S577	F535-K579 HydrophobicContact CD1-CD 3.97Å; F535-K579 VanDerWaalsContact CD1-NZ 3.27Å; F535-K579 HydrophobicContact CD2-CD 4.16Å; F535-K579 HydrophobicContact CE1-CD 3.63Å; F535-K579 HydrophobicContact CE2-CB 4.49Å; F535-K579 HydrophobicContact CE2-CD 3.78Å; F535-K579 HydrophobicContact CG-CD 4.24Å; F535-K579 HydrophobicContact CZ-CD 3.49Å; F535-K579 VanDerWaalsContact CZ-CD 3.49Å; Q575-K579 PolarHBondContact O-N 3.45Å; E576-K579 PolarHBondContact O-N 3.28Å; S577-K579 PolarHBondContact O-N 3.42Å
580	R	57.1	Low	60	Low	167 Å²	167	108.5 Å²	108.5	63%	0.63	59%	0.587	S	S	*	*	H	α-helix	trans	-71.3	-28.4	176.5	-108.5	174.2	169.4	163.9	-5.9	112.9	E576 S577	E576-R580 PolarHBondContact O-N 3.23Å; E576-R580 WeakPolarHBondContact OE1-CD 3.49Å; E576-R580 IonicContact OE1-CZ 3.33Å; E576-R580 IonicContact OE1-NE 2.76Å; E576-R580 IonicContact OE1-NH1 3.44Å; E576-R580 PolarHBondContact OE1-NH1 3.37Å; S577-R580 PolarHBondContact O-N 3.31Å
581	F	53.3	Low	57.9	Low	139 Å²	139	108.5 Å²	108.5	61%	0.61	60%	0.598	S	S	*	*			trans	-128.6	70.9	179.9	-60.4	-79.3	0	0	0	112.3	S577 L578 M583	S577-F581 PolarHBondContact O-N 3.29Å; L578-F581 CarbonylContact O-C 3.24Å; F581-M583 PolarHBondContact O-N 2.76Å; F581-M583 VanDerWaalsContact O-N 3.09Å
582	P	49.6	Very low	54.9	Low	110 Å²	110	115.1 Å²	115.1	71%	0.714	63%	0.63	S	S	*	*	S	Bend	trans	-70.4	-3.3	-178.6	29.3	-35.5	0	0	0	114.5
583	M	43.1	Very low	52.1	Low	158 Å²	158	123.3 Å²	123.3	78%	0.778	67%	0.672	S	S	*	*			trans	-139.6	90.4	178.6	-87.5	-107.8	-74.1	0	0	111.3	F581	F581-M583 PolarHBondContact O-N 2.76Å; F581-M583 VanDerWaalsContact O-N 3.09Å
584	L	38.6	Very low	49.3	Very low	153 Å²	153	123.4 Å²	123.4	80%	0.801	69%	0.686	S	S	*	*			trans	-148.4	37.8	157.8	-110.3	171.9	0	0	0	111.5
585	C	36.7	Very low	46.6	Very low	131 Å²	131	125.8 Å²	125.8	89%	0.885	70%	0.7	S	S	*	*			trans	-132.1	67.3	173.9	-76.8	0	0	0	0	111.1
586	V	40	Very low	43.9	Very low	111 Å²	111	128.4 Å²	128.4	67%	0.673	73%	0.725	S	S	*	*			trans	-140.6	135.9	162.8	-167.5	0	0	0	0	108.2
587	T	35.4	Very low	41.5	Very low	130 Å²	130	132.1 Å²	132.1	80%	0.798	76%	0.755	S	S	*	*			trans	68.7	129.7	-173.4	68.2	0	0	0	0	114.1
588	E	32.3	Very low	39.6	Very low	191 Å²	191	135.9 Å²	135.9	89%	0.893	78%	0.775	S	S	*	*			cis	-144.1	167.7	13.6	-119	164.4	-169.1	0	0	112.8
589	A	33.4	Very low	37.5	Very low	106 Å²	106	139 Å²	139	88%	0.876	79%	0.788	S	S	*	*			trans	-35.9	154.4	-173.1	0	0	0	0	0	119.4
590	G	31.1	Very low	35.7	Very low	73 Å²	73	141.6 Å²	141.6	75%	0.753	80%	0.799	S	S	*	*			cis	136.8	169.2	10.6	0	0	0	0	0	109.9
591	P	43.3	Very low	35.4	Very low	124 Å²	124	143 Å²	143	81%	0.805	83%	0.83	S	S	*	*			cis	-119.1	-165	-14.7	41.7	-25.3	0	0	0	113.3
592	E	28	Very low	34.5	Very low	183 Å²	183	143.2 Å²	143.2	86%	0.855	84%	0.841	S	S	*	*			trans	67.7	102.4	-179.9	-57.4	-171.1	-179.6	0	0	114.8
593	I	30.3	Very low	33.7	Very low	172 Å²	172	144.9 Å²	144.9	88%	0.882	85%	0.848	S	S	*	*				-151	143.1	73	-82.2	154.7	0	0	0	110.7
594	S	27	Very low	33.2	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	85%	0.852	S	S	*	*			trans	-86.8	120.9	-178.5	54.9	0	0	0	0	114.4
595	L	28.6	Very low	32.9	Very low	165 Å²	165	143.6 Å²	143.6	86%	0.864	86%	0.855	S	S	*	*			trans	26.2	115.2	138	-80.6	147.7	0	0	0	120.2
596	C	26.7	Very low	32.6	Very low	133 Å²	133	144.4 Å²	144.4	90%	0.899	85%	0.853	S	S	*	*				-179	139.9	127.6	-102.9	0	0	0	0	109.6
597	S	27.6	Very low	32.1	Very low	109 Å²	109	146.7 Å²	146.7	76%	0.762	87%	0.865	S	S	*	*			cis	-151.5	148.7	-16.9	57.2	0	0	0	0	108.4
598	V	31.1	Very low	31.9	Very low	137 Å²	137	147.9 Å²	147.9	83%	0.83	87%	0.869	S	S	*	*			trans	-85.5	132.1	176.1	173.1	0	0	0	0	109.6
599	M	27.2	Very low	31.9	Very low	190 Å²	190	144.5 Å²	144.5	94%	0.936	87%	0.868	S	S	*	*			trans	-135.8	120.9	152.3	-92.9	-169.9	168.2	0	0	111.3
600	K	29.3	Very low	31.7	Very low	185 Å²	185	147.8 Å²	147.8	80%	0.804	87%	0.867	S	S	*	*			trans	-147.9	159.9	155.8	-102.9	-167.1	175.9	-174	0	105.9
601	P	50.6	Low	31.8	Very low	196 Å²	196	154.5 Å²	154.5	100%	1.273	88%	0.877	S	S	*	*			cis	-73.7	0	4	32.2	-35.7	0	0	0	114

Retrieved 601 of 601 residues in 3992.9 ms (Link to these results)

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