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Tripartite motif-containing protein 16

E3 ubiquitin ligase that plays an essential role in the organization of autophagic response and ubiquitination upon lysosomal and phagosomal damages. Plays a role in the stress-induced biogenesis and degradation of protein aggresomes by regulating the p62-KEAP1-NRF2 signaling and particularly by modulating the ubiquitination levels and thus stability of NRF2. Acts as a scaffold protein and facilitates autophagic degradation of protein aggregates by interacting with p62/SQSTM, ATG16L1 and LC3B/MAP1LC3B. In turn, protects the cell against oxidative stress-induced cell death as a consequence of endomembrane damage.

AlphaFold DB , UniProt , Accession Q99PP9, Species MOUSE (Mus musculus, Mouse), Gene Trim16, Length 556 aa.

Structure Viewer

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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	38.4	Very low	43.7	Very low	242 Å²	242	141.4 Å²	141.4	100%	1.192	84%	0.836	S	S	*	*				0	108.9	0	-73.5	-150.9	-75	0	0	107
2	A	45.1	Very low	43.3	Very low	101 Å²	101	144.4 Å²	144.4	84%	0.835	84%	0.844	S	S	*	*			trans	51.6	107.6	176.5	0	0	0	0	0	116.3
3	E	34.6	Very low	43.5	Very low	181 Å²	181	144.1 Å²	144.1	85%	0.846	85%	0.845	S	S	*	*			cis	59.7	105.8	30.4	-110.1	-178.6	-176.3	0	0	115.9
4	L	47.3	Very low	43	Very low	163 Å²	163	139.3 Å²	139.3	85%	0.853	84%	0.842	S	S	*	*			trans	-165.1	90.1	150.4	-106.9	142.5	0	0	0	110.9
5	D	42.7	Very low	42.9	Very low	128 Å²	128	139.5 Å²	139.5	68%	0.684	84%	0.843	S	S	*	*			trans	49.1	102.5	130.8	-59.9	-27.4	0	0	0	123.4
6	L	40.6	Very low	42.6	Very low	155 Å²	155	138.9 Å²	138.9	81%	0.812	84%	0.84	S	S	*	*				13.7	124.6	117.6	-70	156.6	0	0	0	120.1
7	I	50.1	Low	42.5	Very low	174 Å²	174	136.7 Å²	136.7	89%	0.892	84%	0.84	S	S	*	*			trans	-134.3	119.4	137.9	-60.8	179.4	0	0	0	107.8
8	A	43.8	Very low	42.6	Very low	79 Å²	79	139.3 Å²	139.3	65%	0.653	84%	0.841	S	S	*	*			trans	-104.4	148.7	176.4	0	0	0	0	0	110.9
9	P	48.8	Very low	42.4	Very low	128 Å²	128	138.6 Å²	138.6	83%	0.831	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-94	140.8	159.5	10.1	9.4	0	0	0	111.1
10	G	45.8	Very low	42.6	Very low	72 Å²	72	140.6 Å²	140.6	74%	0.742	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-71.3	170.8	-173.9	0	0	0	0	0	116.1
11	P	43.1	Very low	42.7	Very low	132 Å²	132	138.6 Å²	138.6	86%	0.857	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-86.9	148.5	-166.5	33.3	-32.1	0	0	0	114.3
12	L	39.3	Very low	42.6	Very low	178 Å²	178	132.6 Å²	132.6	93%	0.932	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-66.5	132.4	174.8	-70.2	163.7	0	0	0	112.4
13	T	45.9	Very low	42.6	Very low	140 Å²	140	136.7 Å²	136.7	86%	0.859	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-81.7	125.6	162.4	43	0	0	0	0	110.3
14	G	36	Very low	42.9	Very low	77 Å²	77	131.6 Å²	131.6	79%	0.794	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74.4	154.2	-178.9	0	0	0	0	0	114.8
15	V	42	Very low	42.7	Very low	143 Å²	143	129.2 Å²	129.2	87%	0.867	82%	0.819	S	S	*	*			trans	-126.5	130.9	159	176.7	0	0	0	0	107.8
16	T	38.2	Very low	42.5	Very low	130 Å²	130	130 Å²	130	80%	0.798	82%	0.823	S	S	*	*			trans	-59.8	137.6	-175	40.9	0	0	0	0	114.9
17	A	40.7	Very low	42.5	Very low	101 Å²	101	128.7 Å²	128.7	84%	0.835	82%	0.824	S	S	*	*			trans	-114.8	130.6	161.6	0	0	0	0	0	110
18	H	43.7	Very low	41.8	Very low	184 Å²	184	126.6 Å²	126.6	85%	0.852	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-67.8	148.6	177.4	-80	-81.9	0	0	0	112.6
19	P	39.9	Very low	41.9	Very low	126 Å²	126	128.9 Å²	128.9	82%	0.818	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-91.6	129.8	174.8	28	-17.4	0	0	0	112
20	L	45.4	Very low	41.3	Very low	178 Å²	178	126.4 Å²	126.4	93%	0.932	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-95	134.1	165.5	-88.3	161	0	0	0	110
21	A	45.8	Very low	40.9	Very low	98 Å²	98	130.4 Å²	130.4	81%	0.81	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-79	153.7	-177.7	0	0	0	0	0	113.3
22	P	35.6	Very low	40.5	Very low	116 Å²	116	129.3 Å²	129.3	75%	0.753	82%	0.816	S	S	*	*			trans	-120.2	132.6	173.2	36.1	-22.6	0	0	0	113.9
23	L	45	Very low	40.2	Very low	188 Å²	188	127 Å²	127	98%	0.984	81%	0.809	S	S	*	*			trans	-161.7	131.4	160	-70	177.8	0	0	0	106.5
24	G	41.4	Very low	39.9	Very low	73 Å²	73	129.8 Å²	129.8	75%	0.753	81%	0.812	S	S	*	*			cis	-178.5	171.7	2.9	0	0	0	0	0	107.3
25	P	42.3	Very low	39.8	Very low	113 Å²	113	135 Å²	135	73%	0.734	81%	0.813	S	S	*	*			trans	-108.9	163.1	-159.8	39	-32	0	0	0	117.8
26	D	39.1	Very low	39.6	Very low	146 Å²	146	136 Å²	136	78%	0.781	81%	0.808	S	S	*	*			trans	75.6	161.4	147.3	-67.2	-20.6	0	0	0	121.6
27	P	41	Very low	39.3	Very low	127 Å²	127	137 Å²	137	83%	0.825	81%	0.808	S	S	*	*			cis	-137	174.5	7	24.6	1.5	0	0	0	118.1
28	V	35.7	Very low	39	Very low	129 Å²	129	136.7 Å²	136.7	78%	0.782	81%	0.806	S	S	*	*			trans	-63.4	148.8	178.9	177	0	0	0	0	116
29	S	45	Very low	38.5	Very low	128 Å²	128	134.8 Å²	134.8	90%	0.895	80%	0.802	S	S	*	*			trans	-152.2	152	145.7	-87.7	0	0	0	0	112.6
30	A	37.3	Very low	38.3	Very low	75 Å²	75	134.6 Å²	134.6	62%	0.62	80%	0.801	S	S	*	*			trans	-101.8	142.2	-146.9	0	0	0	0	0	116.3
31	I	36.1	Very low	37.9	Very low	157 Å²	157	133.1 Å²	133.1	81%	0.805	79%	0.793	S	S	*	*			trans	54.7	159.7	130.4	-43.7	162.9	0	0	0	119.1
32	P	35.4	Very low	37.3	Very low	109 Å²	109	132.9 Å²	132.9	71%	0.708	79%	0.786	S	S	*	*			cis	-128.9	161.4	-17.7	20.3	3.1	0	0	0	117.7
33	V	33.7	Very low	37.4	Very low	130 Å²	130	136.7 Å²	136.7	79%	0.788	79%	0.791	S	S	*	*			trans	7.6	123.8	137.9	-171.7	0	0	0	0	119.3
34	E	38	Very low	36.8	Very low	197 Å²	197	133.2 Å²	133.2	92%	0.921	78%	0.782	S	S	*	*			trans	-152.6	157.7	131.4	-76	-154	147	0	0	110.9
35	K	35.1	Very low	36.3	Very low	188 Å²	188	133.1 Å²	133.1	82%	0.817	78%	0.781	S	S	*	*			trans	-85.3	169.7	-162.2	-79.8	175.2	168.7	179.7	0	115
36	E	36.5	Very low	36	Very low	162 Å²	162	137.1 Å²	137.1	76%	0.757	79%	0.79	S	S	*	*			trans	98.7	109.6	145.3	-86.7	166.3	-166.3	0	0	119.5
37	D	33	Very low	35.6	Very low	151 Å²	151	139.7 Å²	139.7	81%	0.807	80%	0.797	S	S	*	*			trans	73.2	134.8	134.2	-66.7	-24	0	0	0	123.4
38	A	34.2	Very low	35.3	Very low	95 Å²	95	140.5 Å²	140.5	79%	0.785	80%	0.8	S	S	*	*			trans	86.7	101.6	152.4	0	0	0	0	0	119.1
39	D	32.3	Very low	35	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	81%	0.805	S	S	*	*			trans	72.6	129.6	133.5	-137.6	10.5	0	0	0	118.8
40	P	36.3	Very low	34.6	Very low	122 Å²	122	146.5 Å²	146.5	79%	0.792	81%	0.806	S	S	*	*			trans	-133.4	118.7	148	29.9	-12.3	0	0	0	113.3
41	L	37.3	Very low	34.5	Very low	147 Å²	147	152.2 Å²	152.2	77%	0.77	82%	0.82	S	S	*	*			trans	-65.8	124.3	156.7	-124.2	94.2	0	0	0	110.5
42	S	32.5	Very low	34	Very low	94 Å²	94	148.1 Å²	148.1	66%	0.657	82%	0.816	S	S	*	*			trans	55.7	117.9	138.2	63.7	0	0	0	0	121
43	K	37.9	Very low	33.8	Very low	196 Å²	196	152.1 Å²	152.1	85%	0.852	83%	0.825	S	S	*	*			trans	176.1	103.7	132.8	-97.8	167.9	-174.2	-176.1	0	108.2
44	S	33.5	Very low	33.7	Very low	114 Å²	114	152.4 Å²	152.4	80%	0.797	82%	0.822	S	S	*	*				91.4	119.5	82	66.9	0	0	0	0	113.3
45	G	30.9	Very low	33.4	Very low	72 Å²	72	149.3 Å²	149.3	74%	0.742	82%	0.818	S	S	*	*			trans	114.2	98.6	149.4	0	0	0	0	0	116.5
46	E	35.9	Very low	33.1	Very low	196 Å²	196	143.7 Å²	143.7	92%	0.916	81%	0.807	S	S	*	*				175.8	103.2	109.6	-94.5	178.6	154.5	0	0	109.6
47	E	29.8	Very low	32.9	Very low	200 Å²	200	145 Å²	145	94%	0.935	81%	0.813	S	S	*	*			trans	-85.2	130.1	175.1	-68.7	174.1	153.4	0	0	109.6
48	T	34.9	Very low	32.8	Very low	145 Å²	145	146.6 Å²	146.6	89%	0.89	82%	0.821	S	S	*	*			trans	-109.4	125.9	161.3	-42.5	0	0	0	0	108
49	Q	30	Very low	32.5	Very low	187 Å²	187	145.3 Å²	145.3	87%	0.874	82%	0.817	S	S	*	*			trans	-61.1	126.6	-176.1	-71.8	164	-18.8	0	0	112.5
50	E	35.9	Very low	32.4	Very low	196 Å²	196	142.7 Å²	142.7	92%	0.916	82%	0.816	S	S	*	*			trans	-130.9	142.9	146.4	-85.9	-166.2	157	0	0	110.5
51	Q	34.9	Very low	32.1	Very low	195 Å²	195	143.5 Å²	143.5	91%	0.911	82%	0.821	S	S	*	*			trans	-81.4	130.3	-158.6	-68.1	162.9	-17.7	0	0	112.2
52	G	26.8	Very low	31.8	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	81%	0.809	S	S	*	*			trans	56.3	102.9	130.7	0	0	0	0	0	119.5
53	H	31.2	Very low	32.3	Very low	194 Å²	194	143.1 Å²	143.1	90%	0.898	82%	0.818	S	S	*	*				-154.5	117.7	119.6	-124.9	-96.6	0	0	0	109.7
54	D	30.3	Very low	32.8	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	82%	0.818	S	S	*	*			trans	-78.4	121.3	-176.4	-157.4	-2.8	0	0	0	109.6	A56	D54-A56 VanDerWaalsContact C-N 3.26Å; D54-A56 PolarHBondContact O-N 3.48Å
55	P	31.1	Very low	33.9	Very low	131 Å²	131	142.7 Å²	142.7	85%	0.851	81%	0.811	S	S	*	*			trans	-92	65.8	167.9	34.7	-26.7	0	0	0	108.7
56	A	29.7	Very low	35.8	Very low	71 Å²	71	144.6 Å²	144.6	59%	0.587	80%	0.8	S	S	*	*			trans	-113.1	71.2	172.8	0	0	0	0	0	109.8	D54	D54-A56 VanDerWaalsContact C-N 3.26Å; D54-A56 PolarHBondContact O-N 3.48Å
57	E	32.8	Very low	38	Very low	188 Å²	188	137.1 Å²	137.1	88%	0.879	77%	0.766	S	S	*	*			trans	-153.5	90.6	149.6	-112.6	176	-168	0	0	107.3	G59	E57-G59 PolarHBondContact O-N 3.17Å
58	L	31.4	Very low	40.7	Very low	185 Å²	185	131.1 Å²	131.1	97%	0.969	74%	0.74	S	S	*	*			trans	-60.7	90.8	158.6	-87.8	124.7	0	0	0	106.7	A60	L58-A60 PolarHBondContact O-N 3.49Å
59	G	28.1	Very low	43.2	Very low	69 Å²	69	124.2 Å²	124.2	71%	0.711	70%	0.697	S	S	*	*			trans	-52.1	125.2	172	0	0	0	0	0	109.5	E57	E57-G59 PolarHBondContact O-N 3.17Å
60	A	28.6	Very low	45.8	Very low	89 Å²	89	119 Å²	119	74%	0.736	68%	0.675	S	S	*	*			trans	-50	147.6	170.4	0	0	0	0	0	110.3	L58 G62	L58-A60 PolarHBondContact O-N 3.49Å; A60-G62 PolarHBondContact O-N 3.23Å
61	P	30.6	Very low	48.1	Very low	138 Å²	138	114.3 Å²	114.3	90%	0.896	65%	0.652	S	S	*	*	S	Bend	trans	-64.2	105.8	-179.4	24.9	-30.5	0	0	0	110.9
62	G	32	Very low	50.6	Low	50 Å²	50	105.6 Å²	105.6	52%	0.515	61%	0.613	S	S	.	*			trans	72.4	86.2	143.1	0	0	0	0	0	118.5	A60	A60-G62 PolarHBondContact O-N 3.23Å
63	E	41.6	Very low	53.1	Low	183 Å²	183	109.8 Å²	109.8	86%	0.855	62%	0.618	S	S	*	*	S	Bend	trans	-80.9	-15.5	154.5	-74.4	-170.1	157.3	0	0	112.6	D65	E63-D65 VanDerWaalsContact C-N 3.35Å; E63-D65 PolarHBondContact O-N 3.03Å
64	E	48.7	Very low	55	Low	181 Å²	181	103.3 Å²	103.3	85%	0.846	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-2.8	-173.1	-63.6	-172.1	162.1	0	0	115.4	K115	E64-K115 PolarHBondContact O-NZ 3.43Å
65	D	57.6	Low	56.9	Low	121 Å²	121	102.6 Å²	102.6	65%	0.647	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	3.8	-176	-100.3	-7.9	0	0	0	115.4	E63 I67 K115	E63-D65 VanDerWaalsContact C-N 3.35Å; E63-D65 PolarHBondContact O-N 3.03Å; D65-I67 PolarHBondContact O-N 3.32Å; D65-K115 WeakPolarHBondContact OD1-CE 3.31Å; D65-K115 IonicContact OD1-NZ 2.96Å; D65-K115 PolarHBondContact OD1-NZ 2.73Å
66	Q	70.9	Confident	58.9	Low	112 Å²	112	100.6 Å²	100.6	52%	0.523	61%	0.606	S	S	.	*			trans	-80.2	106.1	179	-69.7	-175	21.9	0	0	112	L68	Q66-L68 PolarHBondContact O-N 3.41Å
67	I	80.2	Confident	61.2	Low	38 Å²	38	103.6 Å²	103.6	20%	0.195	60%	0.602	C	S	.	*	P	Polyproline II helix	trans	-68.9	123.7	172.2	-59.8	164.1	0	0	0	108.5	D65 R79 A80 N90 P113 K115	D65-I67 PolarHBondContact O-N 3.32Å; I67-R79 WeakPolarHBondContact O-CA 3.4Å; I67-A80 HydrophobicContact CG2-CB 4.18Å; I67-A80 PolarHBondContact O-N 3.43Å; I67-N90 HydrophobicContact CG2-CB 4.27Å; I67-P113 HydrophobicContact CB-CB 3.93Å; I67-P113 HydrophobicContact CD1-CB 3.85Å; I67-P113 WeakPolarHBondContact CD1-O 3.29Å; I67-P113 HydrophobicContact CG2-CB 3.71Å; I67-K115 HydrophobicContact CD1-CG 4.08Å; I67-K115 HydrophobicContact CG1-CG 3.66Å
68	L	86.5	Confident	63.7	Low	74 Å²	74	98.2 Å²	98.2	39%	0.387	58%	0.582	S	S	.	*	B	Isolated β-bridge	trans	-95.3	157.1	-175.2	-59.6	178.6	0	0	0	111.3	Q66 R77 N90	Q66-L68 PolarHBondContact O-N 3.41Å; L68-R77 HydrophobicContact CB-CB 4.32Å; L68-R77 HydrophobicContact CD1-CB 4.06Å; L68-N90 WeakPolarHBondContact O-CB 3.49Å
69	C	88.4	Confident	66.5	Low	0 Å²	0	97.3 Å²	97.3	0%	0	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-75.2	130	172.2	177.9	0	0	0	0	111.3	C72 V78 N90 C92 H95	C69-C72 HydrophobicContact CB-CB 4.36Å; C69-V78 WeakPolarHBondContact CB-O 3.48Å; C69-V78 PolarHBondContact N-O 2.84Å; C69-N90 WeakPolarHBondContact CA-O 3.19Å; C69-N90 PolarHBondContact SG-O 2.9Å; C69-N90 VanDerWaalsContact SG-O 3.35Å; C69-C92 HydrophobicContact CB-CB 3.66Å; C69-C92 PolarHBondContact SG-N 2.91Å; C69-H95 PolarHBondContact SG-ND1 3.01Å
70	D	84.3	Confident	69.3	Low	77 Å²	77	94.1 Å²	94.1	41%	0.412	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-24.9	-176.9	-56.7	-53.1	0	0	0	113	V89 N90	D70-V89 HydrophobicContact CB-CG1 3.34Å; D70-V89 WeakPolarHBondContact OD2-CG1 3.44Å; D70-N90 PolarHBondContact N-O 3.23Å; D70-N90 WeakPolarHBondContact OD2-CA 3.38Å; D70-N90 VanDerWaalsContact OD2-CB 3.26Å; D70-N90 WeakPolarHBondContact OD2-CB 3.43Å; D70-N90 PolarHBondContact OD2-N 3.04Å; D70-N90 PolarHBondContact OD2-ND2 2.93Å
71	F	84.6	Confident	72.3	Confident	98 Å²	98	92.1 Å²	92.1	43%	0.43	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.4	178.2	-79	-82.7	0	0	0	113.7	L73 V89 Y91 H95	F71-L73 PolarHBondContact O-N 3.29Å; F71-V89 HydrophobicContact CD2-CB 4.41Å; F71-V89 HydrophobicContact CD2-CG1 3.6Å; F71-V89 HydrophobicContact CE2-CB 3.77Å; F71-V89 HydrophobicContact CE2-CG1 3.37Å; F71-V89 HydrophobicContact CE2-CG2 3.87Å; F71-V89 HydrophobicContact CZ-CG1 4.41Å; F71-V89 HydrophobicContact CZ-CG2 4.35Å; F71-Y91 AromaticContact CD2-CD1 3.76Å; F71-Y91 HydrophobicContact CD2-CD1 3.76Å; F71-Y91 AromaticContact CD2-CE1 3.31Å; F71-Y91 HydrophobicContact CD2-CE1 3.31Å; F71-Y91 AromaticContact CD2-CZ 3.99Å; F71-Y91 HydrophobicContact CE2-CD1 4.07Å; F71-Y91 AromaticContact CE2-CE1 3.17Å; F71-Y91 HydrophobicContact CE2-CE1 3.17Å; F71-Y91 HydrophobicContact CE2-CE2 4.48Å; F71-Y91 AromaticContact CE2-CZ 3.43Å; F71-Y91 VanDerWaalsContact CE2-CZ 3.43Å; F71-Y91 VanDerWaalsContact CE2-OH 3.31Å; F71-Y91 WeakPolarHBondContact CE2-OH 3.37Å; F71-Y91 HydrophobicContact CG-CE1 4.35Å; F71-Y91 HydrophobicContact CZ-CE1 4.12Å; F71-H95 HydrophobicContact CB-CB 4.1Å; F71-H95 WeakPolarHBondContact CB-ND1 3.13Å; F71-H95 PolarHBondContact O-CE1 2.9Å
72	C	87.7	Confident	75	Confident	12 Å²	12	89.5 Å²	89.5	8%	0.081	49%	0.485	C	S	.	.			trans	-70.4	118.3	177	-72.3	0	0	0	0	111	C69 R77 V78 C92 H95	C69-C72 HydrophobicContact CB-CB 4.36Å; C72-R77 HydrophobicContact CB-CB 4.3Å; C72-R77 HydrophobicContact CB-CG 3.96Å; C72-R77 WeakPolarHBondContact O-CG 3.49Å; C72-R77 PolarHBondContact O-NE 3.08Å; C72-V78 WeakPolarHBondContact SG-CG2 3.24Å; C72-C92 VanDerWaalsContact SG-SG 3.67Å; C72-H95 PolarHBondContact N-CE1 3.37Å; C72-H95 PolarHBondContact SG-CE1 3.17Å
73	L	79.1	Confident	77.6	Confident	158 Å²	158	87.1 Å²	87.1	83%	0.827	46%	0.461	S	S	*	.			trans	-88.5	140.7	174.9	-60.4	174.6	0	0	0	110.3	F71	F71-L73 PolarHBondContact O-N 3.29Å
74	G	71.5	Confident	79.6	Confident	59 Å²	59	78.4 Å²	78.4	61%	0.608	42%	0.42	S	S	*	.	S	Bend	trans	92.7	-175.2	175.8	0	0	0	0	0	115.1	S76	G74-S76 PolarHBondContact O-N 3.12Å
75	A	69	Low	80.8	Confident	120 Å²	120	72.4 Å²	72.4	99%	0.992	39%	0.393	S	S	*	.	S	Bend	trans	-71	-8.7	-178	0	0	0	0	0	113.9
76	S	73.5	Confident	81.8	Confident	90 Å²	90	70 Å²	70	63%	0.629	38%	0.384	S	S	*	.			trans	-101	51	-179.9	59.6	0	0	0	0	111.7	G74 V78	G74-S76 PolarHBondContact O-N 3.12Å; S76-V78 PolarHBondContact O-N 3.25Å
77	R	77.9	Confident	82.3	Confident	134 Å²	134	66.9 Å²	66.9	51%	0.506	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-68	120	171	-75.2	-171.2	168.2	177.9	-4.2	109	L68 C72	L68-R77 HydrophobicContact CB-CB 4.32Å; L68-R77 HydrophobicContact CD1-CB 4.06Å; C72-R77 HydrophobicContact CB-CB 4.3Å; C72-R77 HydrophobicContact CB-CG 3.96Å; C72-R77 WeakPolarHBondContact O-CG 3.49Å; C72-R77 PolarHBondContact O-NE 3.08Å
78	V	86.2	Confident	82.1	Confident	75 Å²	75	68.7 Å²	68.7	46%	0.455	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-90	153.1	179	-78.5	0	0	0	0	110.7	C69 C72 S76 A80 C92	C69-V78 WeakPolarHBondContact CB-O 3.48Å; C69-V78 PolarHBondContact N-O 2.84Å; C72-V78 WeakPolarHBondContact SG-CG2 3.24Å; S76-V78 PolarHBondContact O-N 3.25Å; V78-A80 PolarHBondContact O-N 2.96Å; V78-C92 HydrophobicContact CB-CB 4.37Å; V78-C92 HydrophobicContact CG2-CB 3.41Å; V78-C92 VanDerWaalsContact CG2-CB 3.41Å
79	R	89.3	Confident	82	Confident	166 Å²	166	66.4 Å²	66.4	63%	0.626	37%	0.371	S	S	*	.	B	Isolated β-bridge	trans	-52.9	133.2	173.7	172.9	178	155.7	163.9	-2.8	110.8	I67	I67-R79 WeakPolarHBondContact O-CA 3.4Å
80	A	88	Confident	81.9	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.008	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-70.7	142.6	170.6	0	0	0	0	0	110.7	I67 V78 N90 Y91 P113	I67-A80 HydrophobicContact CG2-CB 4.18Å; I67-A80 PolarHBondContact O-N 3.43Å; V78-A80 PolarHBondContact O-N 2.96Å; A80-N90 HydrophobicContact CB-CB 3.72Å; A80-Y91 CarbonylContact C-O 3.54Å; A80-Y91 WeakPolarHBondContact CA-O 3.45Å; A80-P113 HydrophobicContact CB-CB 4.01Å; A80-P113 HydrophobicContact CB-CG 4.02Å; A80-P113 WeakPolarHBondContact O-CG 3.46Å
81	V	89.8	Confident	82.1	Confident	48 Å²	48	63.7 Å²	63.7	29%	0.291	36%	0.356	S	S	.	.			trans	-107.8	-36.2	177.2	-102.5	0	0	0	0	111.8	Y91 E93 P113	V81-Y91 WeakPolarHBondContact CG2-O 3.48Å; V81-Y91 PolarHBondContact N-O 3.04Å; V81-E93 HydrophobicContact CG2-CB 4.2Å; V81-P113 WeakPolarHBondContact O-CD 3.35Å
82	K	88.3	Confident	82.4	Confident	82 Å²	82	59.4 Å²	59.4	36%	0.357	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	163.6	174.1	-65.4	-160.2	-178.4	-176.8	0	110.6	Y91 L96 L110 T111	K82-Y91 PolarHBondContact N-O 3.46Å; K82-Y91 WeakPolarHBondContact O-CA 3.39Å; K82-Y91 WeakPolarHBondContact O-CB 3.49Å; K82-Y91 PolarHBondContact O-N 3.26Å; K82-L96 HydrophobicContact CB-CD1 4Å; K82-L96 HydrophobicContact CB-CD2 3.81Å; K82-L96 HydrophobicContact CD-CD2 4.04Å; K82-L96 HydrophobicContact CG-CD2 3.91Å; K82-L110 HydrophobicContact CB-CB 4.49Å; K82-L110 HydrophobicContact CD-CB 3.9Å; K82-L110 HydrophobicContact CD-CD1 4.2Å; K82-T111 WeakPolarHBondContact CA-O 3.41Å
83	S	85.8	Confident	82.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.9	176.5	-58.4	0	0	0	0	111.8	V89 N90 L110 T111 P113 Q117	S83-V89 VanDerWaalsContact CA-O 3.31Å; S83-V89 WeakPolarHBondContact CA-O 3.45Å; S83-V89 WeakPolarHBondContact CB-O 3.38Å; S83-N90 WeakPolarHBondContact OG-CA 3.24Å; S83-N90 PolarHBondContact OG-OD1 3.3Å; S83-L110 CarbonylContact O-C 3.57Å; S83-L110 VanDerWaalsContact O-CA 3.3Å; S83-L110 WeakPolarHBondContact O-CA 3.42Å; S83-T111 PolarHBondContact N-O 3.13Å; S83-T111 PolarHBondContact O-N 3.19Å; S83-T111 PolarHBondContact O-OG1 3Å; S83-P113 WeakPolarHBondContact OG-CA 2.85Å; S83-Q117 PolarHBondContact OG-OE1 2.85Å
84	C	84.4	Confident	82.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120	-177.1	-178.4	0	0	0	0	110	T86 C87 M88 V89 Y91 H108 L110	C84-T86 PolarHBondContact O-N 3.41Å; C84-T86 PolarHBondContact SG-N 3.12Å; C84-T86 VanDerWaalsContact SG-N 3.4Å; C84-C87 HydrophobicContact CB-CB 3.88Å; C84-C87 PolarHBondContact O-N 3.19Å; C84-C87 PolarHBondContact SG-N 3.4Å; C84-C87 VanDerWaalsContact SG-SG 3.61Å; C84-M88 WeakPolarHBondContact O-CA 3.37Å; C84-M88 PolarHBondContact O-N 2.69Å; C84-V89 PolarHBondContact N-O 3.32Å; C84-V89 VanDerWaalsContact N-O 3.07Å; C84-Y91 HydrophobicContact CB-CD2 4.16Å; C84-Y91 HydrophobicContact CB-CE2 3.53Å; C84-H108 VanDerWaalsContact SG-CB 3.52Å; C84-H108 PolarHBondContact SG-ND1 3.17Å; C84-H108 VanDerWaalsContact SG-ND1 3.38Å; C84-L110 HydrophobicContact CB-CD2 3.92Å
85	L	74.9	Confident	83.8	Confident	55 Å²	55	61.9 Å²	61.9	29%	0.288	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.2	175.7	-58.2	-178.4	0	0	0	112.5	Q109 T111 L119	L85-Q109 HydrophobicContact CB-CB 4.39Å; L85-Q109 HydrophobicContact CD1-CB 4.06Å; L85-Q109 HydrophobicContact CD1-CG 3.84Å; L85-Q109 HydrophobicContact CG-CB 4.41Å; L85-Q109 PolarHBondContact N-O 3.32Å; L85-T111 HydrophobicContact CD1-CG2 3.77Å; L85-T111 HydrophobicContact CD2-CG2 4Å; L85-T111 HydrophobicContact CG-CG2 3.89Å; L85-L119 HydrophobicContact CB-CD1 4.49Å; L85-L119 HydrophobicContact CD2-CD1 3.69Å
86	T	78.6	Confident	84.8	Confident	72 Å²	72	56.2 Å²	56.2	44%	0.442	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-43	178.3	-48	0	0	0	0	111.9	C84	C84-T86 PolarHBondContact O-N 3.41Å; C84-T86 PolarHBondContact SG-N 3.12Å; C84-T86 VanDerWaalsContact SG-N 3.4Å
87	C	80.1	Confident	85.6	Confident	46 Å²	46	57 Å²	57	31%	0.311	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.5	177.8	-59.4	0	0	0	0	112.4	C84 V89 Y91 H99 H108	C84-C87 HydrophobicContact CB-CB 3.88Å; C84-C87 PolarHBondContact O-N 3.19Å; C84-C87 PolarHBondContact SG-N 3.4Å; C84-C87 VanDerWaalsContact SG-SG 3.61Å; C87-V89 HydrophobicContact CB-CG2 4.21Å; C87-V89 VanDerWaalsContact O-CG2 3.3Å; C87-V89 WeakPolarHBondContact O-CG2 3.44Å; C87-Y91 HydrophobicContact CB-CE2 4.24Å; C87-Y91 WeakPolarHBondContact CB-OH 3.2Å; C87-Y91 PolarHBondContact SG-OH 2.96Å; C87-Y91 VanDerWaalsContact SG-OH 3.42Å; C87-H99 PolarHBondContact SG-NE2 2.87Å; C87-H108 PolarHBondContact SG-CE1 3.37Å; C87-H108 PolarHBondContact SG-ND1 3.46Å; C87-H108 VanDerWaalsContact SG-ND1 3.35Å
88	M	77.1	Confident	86.2	Confident	76 Å²	76	53.5 Å²	53.5	37%	0.374	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	44.1	-174.8	-55	176	-117.3	0	0	112.4	C84 T121	C84-M88 WeakPolarHBondContact O-CA 3.37Å; C84-M88 PolarHBondContact O-N 2.69Å; M88-T121 HydrophobicContact CE-CG2 3.75Å; M88-T121 HydrophobicContact SD-CG2 3.6Å; M88-T121 VanDerWaalsContact SD-CG2 3.6Å
89	V	83.2	Confident	86.2	Confident	25 Å²	25	50.4 Å²	50.4	15%	0.152	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	147.3	-175.4	-164.3	0	0	0	0	111.9	D70 F71 S83 C84 C87 Y91	D70-V89 HydrophobicContact CB-CG1 3.34Å; D70-V89 WeakPolarHBondContact OD2-CG1 3.44Å; F71-V89 HydrophobicContact CD2-CB 4.41Å; F71-V89 HydrophobicContact CD2-CG1 3.6Å; F71-V89 HydrophobicContact CE2-CB 3.77Å; F71-V89 HydrophobicContact CE2-CG1 3.37Å; F71-V89 HydrophobicContact CE2-CG2 3.87Å; F71-V89 HydrophobicContact CZ-CG1 4.41Å; F71-V89 HydrophobicContact CZ-CG2 4.35Å; S83-V89 VanDerWaalsContact CA-O 3.31Å; S83-V89 WeakPolarHBondContact CA-O 3.45Å; S83-V89 WeakPolarHBondContact CB-O 3.38Å; C84-V89 PolarHBondContact N-O 3.32Å; C84-V89 VanDerWaalsContact N-O 3.07Å; C87-V89 HydrophobicContact CB-CG2 4.21Å; C87-V89 VanDerWaalsContact O-CG2 3.3Å; C87-V89 WeakPolarHBondContact O-CG2 3.44Å; V89-Y91 HydrophobicContact CB-CE2 3.83Å; V89-Y91 WeakPolarHBondContact O-CD2 3.49Å; V89-Y91 WeakPolarHBondContact O-CE2 3.41Å
90	N	87.1	Confident	86.1	Confident	11 Å²	11	46.6 Å²	46.6	6%	0.059	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.8	170.7	-61.8	-76.8	0	0	0	111.7	I67 L68 C69 D70 A80 S83 A114 Q117	I67-N90 HydrophobicContact CG2-CB 4.27Å; L68-N90 WeakPolarHBondContact O-CB 3.49Å; C69-N90 WeakPolarHBondContact CA-O 3.19Å; C69-N90 PolarHBondContact SG-O 2.9Å; C69-N90 VanDerWaalsContact SG-O 3.35Å; D70-N90 PolarHBondContact N-O 3.23Å; D70-N90 WeakPolarHBondContact OD2-CA 3.38Å; D70-N90 VanDerWaalsContact OD2-CB 3.26Å; D70-N90 WeakPolarHBondContact OD2-CB 3.43Å; D70-N90 PolarHBondContact OD2-N 3.04Å; D70-N90 PolarHBondContact OD2-ND2 2.93Å; A80-N90 HydrophobicContact CB-CB 3.72Å; S83-N90 WeakPolarHBondContact OG-CA 3.24Å; S83-N90 PolarHBondContact OG-OD1 3.3Å; N90-A114 PolarHBondContact ND2-O 3.16Å; N90-A114 PolarHBondContact OD1-N 3.41Å; N90-A114 PolarHBondContact OD1-O 2.96Å; N90-Q117 PolarHBondContact OD1-OE1 2.85Å
91	Y	88.3	Confident	86.1	Confident	10 Å²	10	53.1 Å²	53.1	4%	0.039	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.4	-175.5	-64.2	-87.8	0	0	0	112	F71 A80 V81 K82 C84 C87 V89 H95 L96 H99	F71-Y91 AromaticContact CD2-CD1 3.76Å; F71-Y91 HydrophobicContact CD2-CD1 3.76Å; F71-Y91 AromaticContact CD2-CE1 3.31Å; F71-Y91 HydrophobicContact CD2-CE1 3.31Å; F71-Y91 AromaticContact CD2-CZ 3.99Å; F71-Y91 HydrophobicContact CE2-CD1 4.07Å; F71-Y91 AromaticContact CE2-CE1 3.17Å; F71-Y91 HydrophobicContact CE2-CE1 3.17Å; F71-Y91 HydrophobicContact CE2-CE2 4.48Å; F71-Y91 AromaticContact CE2-CZ 3.43Å; F71-Y91 VanDerWaalsContact CE2-CZ 3.43Å; F71-Y91 VanDerWaalsContact CE2-OH 3.31Å; F71-Y91 WeakPolarHBondContact CE2-OH 3.37Å; F71-Y91 HydrophobicContact CG-CE1 4.35Å; F71-Y91 HydrophobicContact CZ-CE1 4.12Å; A80-Y91 CarbonylContact C-O 3.54Å; A80-Y91 WeakPolarHBondContact CA-O 3.45Å; V81-Y91 WeakPolarHBondContact CG2-O 3.48Å; V81-Y91 PolarHBondContact N-O 3.04Å; K82-Y91 PolarHBondContact N-O 3.46Å; K82-Y91 WeakPolarHBondContact O-CA 3.39Å; K82-Y91 WeakPolarHBondContact O-CB 3.49Å; K82-Y91 PolarHBondContact O-N 3.26Å; C84-Y91 HydrophobicContact CB-CD2 4.16Å; C84-Y91 HydrophobicContact CB-CE2 3.53Å; C87-Y91 HydrophobicContact CB-CE2 4.24Å; C87-Y91 WeakPolarHBondContact CB-OH 3.2Å; C87-Y91 PolarHBondContact SG-OH 2.96Å; C87-Y91 VanDerWaalsContact SG-OH 3.42Å; V89-Y91 HydrophobicContact CB-CE2 3.83Å; V89-Y91 WeakPolarHBondContact O-CD2 3.49Å; V89-Y91 WeakPolarHBondContact O-CE2 3.41Å; Y91-H95 HydrophobicContact CD1-CB 3.69Å; Y91-H95 WeakPolarHBondContact CD1-O 3.36Å; Y91-L96 HydrophobicContact CG-CD1 4.39Å; Y91-H99 AromaticContact CE1-CE1 3.81Å; Y91-H99 AromaticContact CE2-CE1 3.84Å; Y91-H99 AromaticContact CZ-CE1 3.43Å; Y91-H99 VanDerWaalsContact CZ-CE1 3.43Å; Y91-H99 PolarHBondContact OH-CE1 3.38Å
92	C	91.2	Very high	86	Confident	7 Å²	7	54.1 Å²	54.1	5%	0.047	27%	0.269	C	S	.	.			trans	-77.6	171.6	160.1	67.5	0	0	0	0	110.3	C69 C72 V78 E94 H95 L96	C69-C92 HydrophobicContact CB-CB 3.66Å; C69-C92 PolarHBondContact SG-N 2.91Å; C72-C92 VanDerWaalsContact SG-SG 3.67Å; V78-C92 HydrophobicContact CB-CB 4.37Å; V78-C92 HydrophobicContact CG2-CB 3.41Å; V78-C92 VanDerWaalsContact CG2-CB 3.41Å; C92-E94 VanDerWaalsContact C-N 3.25Å; C92-E94 PolarHBondContact O-N 2.7Å; C92-H95 PolarHBondContact O-N 2.8Å; C92-H95 VanDerWaalsContact O-N 3.16Å; C92-H95 PolarHBondContact SG-ND1 3.32Å; C92-L96 VanDerWaalsContact O-CB 3.26Å; C92-L96 WeakPolarHBondContact O-CB 3.4Å; C92-L96 PolarHBondContact O-N 3.29Å
93	E	89.9	Confident	85.8	Confident	106 Å²	106	55 Å²	55	50%	0.495	29%	0.285	S	S	.	.	H	α-helix	trans	-52.9	-43.5	-176.8	-153.9	77.6	-142.9	0	0	112.2	V81 L96 R97	V81-E93 HydrophobicContact CG2-CB 4.2Å; E93-L96 PolarHBondContact O-N 3.4Å; E93-R97 PolarHBondContact O-N 2.89Å
94	E	87.2	Confident	85.8	Confident	109 Å²	109	62.9 Å²	62.9	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-67.8	-43.9	-179	-69.2	-64.1	138.6	0	0	112.4	C92 L96 R97	C92-E94 VanDerWaalsContact C-N 3.25Å; C92-E94 PolarHBondContact O-N 2.7Å; E94-L96 VanDerWaalsContact C-N 3.28Å; E94-L96 PolarHBondContact O-N 3.32Å; E94-R97 IonicContact OE1-CZ 2.87Å; E94-R97 IonicContact OE1-NH1 2.66Å; E94-R97 PolarHBondContact OE1-NH1 3.46Å; E94-R97 IonicContact OE1-NH2 3.08Å; E94-R97 PolarHBondContact OE1-NH2 3.46Å; E94-R97 IonicContact OE2-CZ 3.4Å; E94-R97 IonicContact OE2-NH1 3.62Å; E94-R97 PolarHBondContact OE2-NH1 3.01Å; E94-R97 IonicContact OE2-NH2 2.8Å
95	H	90	Very high	85.8	Confident	66 Å²	66	64.8 Å²	64.8	31%	0.306	33%	0.329	S	S	.	.	H	α-helix	trans	-78.5	-14.2	178.8	-62.7	135.7	0	0	0	113.1	C69 F71 C72 Y91 C92 P98	C69-H95 PolarHBondContact SG-ND1 3.01Å; F71-H95 HydrophobicContact CB-CB 4.1Å; F71-H95 WeakPolarHBondContact CB-ND1 3.13Å; F71-H95 PolarHBondContact O-CE1 2.9Å; C72-H95 PolarHBondContact N-CE1 3.37Å; C72-H95 PolarHBondContact SG-CE1 3.17Å; Y91-H95 HydrophobicContact CD1-CB 3.69Å; Y91-H95 WeakPolarHBondContact CD1-O 3.36Å; C92-H95 PolarHBondContact O-N 2.8Å; C92-H95 VanDerWaalsContact O-N 3.16Å; C92-H95 PolarHBondContact SG-ND1 3.32Å; H95-P98 WeakPolarHBondContact O-CD 3.45Å
96	L	90.7	Very high	86.2	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-79.8	-25.3	175.4	-171.3	65.3	0	0	0	112.4	K82 Y91 C92 E93 E94 P98 H99 Q100 L110	K82-L96 HydrophobicContact CB-CD1 4Å; K82-L96 HydrophobicContact CB-CD2 3.81Å; K82-L96 HydrophobicContact CD-CD2 4.04Å; K82-L96 HydrophobicContact CG-CD2 3.91Å; Y91-L96 HydrophobicContact CG-CD1 4.39Å; C92-L96 VanDerWaalsContact O-CB 3.26Å; C92-L96 WeakPolarHBondContact O-CB 3.4Å; C92-L96 PolarHBondContact O-N 3.29Å; E93-L96 PolarHBondContact O-N 3.4Å; E94-L96 VanDerWaalsContact C-N 3.28Å; E94-L96 PolarHBondContact O-N 3.32Å; L96-P98 VanDerWaalsContact C-CD 3.44Å; L96-P98 VanDerWaalsContact O-N 3.17Å; L96-H99 HydrophobicContact CD1-CB 4.25Å; L96-H99 WeakPolarHBondContact O-CB 3.44Å; L96-H99 PolarHBondContact O-N 2.86Å; L96-Q100 VanDerWaalsContact CD2-NE2 3.31Å; L96-Q100 HydrophobicContact CG-CG 4.32Å; L96-Q100 PolarHBondContact O-N 2.83Å; L96-L110 HydrophobicContact CD1-CD1 3.85Å; L96-L110 HydrophobicContact CD1-CD2 3.61Å; L96-L110 HydrophobicContact CD1-CG 4.36Å
97	R	89.8	Confident	86.5	Confident	106 Å²	106	69.2 Å²	69.2	40%	0.4	35%	0.354	S	S	.	.	H	α-helix	trans	-46.3	-45.5	-177.5	-82.3	-169.3	-179.4	131.2	18	115	E93 E94 H99 Q100 E101	E93-R97 PolarHBondContact O-N 2.89Å; E94-R97 IonicContact OE1-CZ 2.87Å; E94-R97 IonicContact OE1-NH1 2.66Å; E94-R97 PolarHBondContact OE1-NH1 3.46Å; E94-R97 IonicContact OE1-NH2 3.08Å; E94-R97 PolarHBondContact OE1-NH2 3.46Å; E94-R97 IonicContact OE2-CZ 3.4Å; E94-R97 IonicContact OE2-NH1 3.62Å; E94-R97 PolarHBondContact OE2-NH1 3.01Å; E94-R97 IonicContact OE2-NH2 2.8Å; R97-H99 PolarHBondContact O-N 2.8Å; R97-H99 VanDerWaalsContact O-N 3.15Å; R97-Q100 CarbonylContact O-C 3.57Å; R97-Q100 WeakPolarHBondContact O-CA 3.41Å; R97-Q100 PolarHBondContact O-N 3.31Å; R97-E101 WeakPolarHBondContact CD-OE1 3.3Å; R97-E101 IonicContact NE-OE1 3.02Å; R97-E101 WeakPolarHBondContact O-CB 3.44Å; R97-E101 PolarHBondContact O-N 3.03Å
98	P	89.5	Confident	86.7	Confident	61 Å²	61	68.8 Å²	68.8	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-56.1	-34.7	177.8	-26.3	35.7	0	0	0	113.4	H95 L96 Q100 N102 L105	H95-P98 WeakPolarHBondContact O-CD 3.45Å; L96-P98 VanDerWaalsContact C-CD 3.44Å; L96-P98 VanDerWaalsContact O-N 3.17Å; P98-Q100 VanDerWaalsContact C-N 3.27Å; P98-Q100 PolarHBondContact O-N 3.3Å; P98-N102 WeakPolarHBondContact O-CB 3.36Å; P98-N102 PolarHBondContact O-N 2.88Å; P98-N102 VanDerWaalsContact O-N 3.08Å; P98-L105 HydrophobicContact CB-CD1 3.7Å; P98-L105 WeakPolarHBondContact O-CD1 3.43Å
99	H	87.8	Confident	87	Confident	11 Å²	11	71.3 Å²	71.3	5%	0.051	36%	0.358	C	S	.	.	H	α-helix	trans	-72.4	-20.9	177.3	-65.4	80.1	0	0	0	113.3	C87 Y91 L96 R97 H106 H108 L110	C87-H99 PolarHBondContact SG-NE2 2.87Å; Y91-H99 AromaticContact CE1-CE1 3.81Å; Y91-H99 AromaticContact CE2-CE1 3.84Å; Y91-H99 AromaticContact CZ-CE1 3.43Å; Y91-H99 VanDerWaalsContact CZ-CE1 3.43Å; Y91-H99 PolarHBondContact OH-CE1 3.38Å; L96-H99 HydrophobicContact CD1-CB 4.25Å; L96-H99 WeakPolarHBondContact O-CB 3.44Å; L96-H99 PolarHBondContact O-N 2.86Å; R97-H99 PolarHBondContact O-N 2.8Å; R97-H99 VanDerWaalsContact O-N 3.15Å; H99-H106 PolarHBondContact O-ND1 3.48Å; H99-H108 AromaticContact CD2-CG 3.88Å; H99-H108 AromaticContact CD2-ND1 3.41Å; H99-H108 PolarHBondContact CD2-ND1 3.47Å; H99-H108 AromaticContact NE2-ND1 3.24Å; H99-H108 PolarHBondContact NE2-ND1 2.82Å; H99-L110 HydrophobicContact CB-CD1 4.26Å; H99-L110 HydrophobicContact CB-CD2 4.35Å
100	Q	86.5	Confident	87	Confident	85 Å²	85	72.4 Å²	72.4	40%	0.397	36%	0.363	S	S	.	.	H	α-helix	trans	-99	-27.7	-179.5	-62.1	179.1	-12.1	0	0	113	L96 R97 P98 H106	L96-Q100 VanDerWaalsContact CD2-NE2 3.31Å; L96-Q100 HydrophobicContact CG-CG 4.32Å; L96-Q100 PolarHBondContact O-N 2.83Å; R97-Q100 CarbonylContact O-C 3.57Å; R97-Q100 WeakPolarHBondContact O-CA 3.41Å; R97-Q100 PolarHBondContact O-N 3.31Å; P98-Q100 VanDerWaalsContact C-N 3.27Å; P98-Q100 PolarHBondContact O-N 3.3Å; Q100-H106 PolarHBondContact O-CE1 3.01Å
101	E	88.2	Confident	86.9	Confident	139 Å²	139	74 Å²	74	65%	0.65	37%	0.374	S	S	*	.	H	α-helix	trans	-103.9	-28.3	-173.3	-65.6	175.9	-174.9	0	0	113	R97	R97-E101 WeakPolarHBondContact CD-OE1 3.3Å; R97-E101 IonicContact NE-OE1 3.02Å; R97-E101 WeakPolarHBondContact O-CB 3.44Å; R97-E101 PolarHBondContact O-N 3.03Å
102	N	86.5	Confident	86.7	Confident	69 Å²	69	80.5 Å²	80.5	37%	0.369	40%	0.404	S	S	.	.			trans	-91.9	118.7	-177.1	-167.5	-23.1	0	0	0	110.7	P98 K104 L105 H106	P98-N102 WeakPolarHBondContact O-CB 3.36Å; P98-N102 PolarHBondContact O-N 2.88Å; P98-N102 VanDerWaalsContact O-N 3.08Å; N102-K104 PolarHBondContact O-N 2.9Å; N102-K104 WeakPolarHBondContact OD1-CB 3.49Å; N102-K104 PolarHBondContact OD1-N 2.91Å; N102-L105 HydrophobicContact CB-CB 4.35Å; N102-L105 HydrophobicContact CB-CD1 4.15Å; N102-L105 HydrophobicContact CB-CG 4.25Å; N102-L105 PolarHBondContact O-N 3.35Å; N102-H106 PolarHBondContact O-N 3.3Å
103	S	85.5	Confident	86.2	Confident	99 Å²	99	81.5 Å²	81.5	69%	0.692	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.5	177.1	61.4	0	0	0	0	113.9	L105	S103-L105 VanDerWaalsContact C-N 3.34Å
104	K	85.3	Confident	85.3	Confident	167 Å²	167	78.3 Å²	78.3	73%	0.726	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.3	175.8	-62	-172.1	178.2	-175.4	0	114	N102 S107	N102-K104 PolarHBondContact O-N 2.9Å; N102-K104 WeakPolarHBondContact OD1-CB 3.49Å; N102-K104 PolarHBondContact OD1-N 2.91Å; K104-S107 PolarHBondContact O-OG 3.48Å
105	L	84.6	Confident	84.4	Confident	39 Å²	39	78.7 Å²	78.7	20%	0.204	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-6.1	-177.1	-62.8	174.8	0	0	0	112.6	P98 N102 S103 S107 H108	P98-L105 HydrophobicContact CB-CD1 3.7Å; P98-L105 WeakPolarHBondContact O-CD1 3.43Å; N102-L105 HydrophobicContact CB-CB 4.35Å; N102-L105 HydrophobicContact CB-CD1 4.15Å; N102-L105 HydrophobicContact CB-CG 4.25Å; N102-L105 PolarHBondContact O-N 3.35Å; S103-L105 VanDerWaalsContact C-N 3.34Å; L105-S107 PolarHBondContact O-N 3.02Å; L105-S107 VanDerWaalsContact O-N 3.17Å; L105-H108 WeakPolarHBondContact CD2-CE1 3.29Å; L105-H108 WeakPolarHBondContact O-CB 3.38Å; L105-H108 PolarHBondContact O-N 2.87Å
106	H	83.4	Confident	83.2	Confident	121 Å²	121	82.7 Å²	82.7	56%	0.56	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.4	173.7	-81.3	-45	0	0	0	114.2	H99 Q100 N102 H108	H99-H106 PolarHBondContact O-ND1 3.48Å; Q100-H106 PolarHBondContact O-CE1 3.01Å; N102-H106 PolarHBondContact O-N 3.3Å; H106-H108 PolarHBondContact O-N 3.33Å
107	S	84	Confident	81.6	Confident	99 Å²	99	83.3 Å²	83.3	69%	0.692	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.9	173	54.7	0	0	0	0	113.1	K104 L105	K104-S107 PolarHBondContact O-OG 3.48Å; L105-S107 PolarHBondContact O-N 3.02Å; L105-S107 VanDerWaalsContact O-N 3.17Å
108	H	85.3	Confident	79.9	Confident	38 Å²	38	85.1 Å²	85.1	18%	0.176	45%	0.446	C	S	.	.	S	Bend	trans	-76.8	128.1	-179.9	-72.6	-155.9	0	0	0	110.9	C84 C87 H99 L105 H106 L110	C84-H108 VanDerWaalsContact SG-CB 3.52Å; C84-H108 PolarHBondContact SG-ND1 3.17Å; C84-H108 VanDerWaalsContact SG-ND1 3.38Å; C87-H108 PolarHBondContact SG-CE1 3.37Å; C87-H108 PolarHBondContact SG-ND1 3.46Å; C87-H108 VanDerWaalsContact SG-ND1 3.35Å; H99-H108 AromaticContact CD2-CG 3.88Å; H99-H108 AromaticContact CD2-ND1 3.41Å; H99-H108 PolarHBondContact CD2-ND1 3.47Å; H99-H108 AromaticContact NE2-ND1 3.24Å; H99-H108 PolarHBondContact NE2-ND1 2.82Å; L105-H108 WeakPolarHBondContact CD2-CE1 3.29Å; L105-H108 WeakPolarHBondContact O-CB 3.38Å; L105-H108 PolarHBondContact O-N 2.87Å; H106-H108 PolarHBondContact O-N 3.33Å; H108-L110 PolarHBondContact O-N 3.04Å
109	Q	81.9	Confident	78.2	Confident	128 Å²	128	86 Å²	86	60%	0.598	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-80.7	122.9	-179.7	-169.1	172.9	5.3	0	0	110.8	L85	L85-Q109 HydrophobicContact CB-CB 4.39Å; L85-Q109 HydrophobicContact CD1-CB 4.06Å; L85-Q109 HydrophobicContact CD1-CG 3.84Å; L85-Q109 HydrophobicContact CG-CB 4.41Å; L85-Q109 PolarHBondContact N-O 3.32Å
110	L	85.3	Confident	77	Confident	49 Å²	49	95.3 Å²	95.3	26%	0.257	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.8	179.2	-63.1	173.1	0	0	0	110.9	K82 S83 C84 L96 H99 H108	K82-L110 HydrophobicContact CB-CB 4.49Å; K82-L110 HydrophobicContact CD-CB 3.9Å; K82-L110 HydrophobicContact CD-CD1 4.2Å; S83-L110 CarbonylContact O-C 3.57Å; S83-L110 VanDerWaalsContact O-CA 3.3Å; S83-L110 WeakPolarHBondContact O-CA 3.42Å; C84-L110 HydrophobicContact CB-CD2 3.92Å; L96-L110 HydrophobicContact CD1-CD1 3.85Å; L96-L110 HydrophobicContact CD1-CD2 3.61Å; L96-L110 HydrophobicContact CD1-CG 4.36Å; H99-L110 HydrophobicContact CB-CD1 4.26Å; H99-L110 HydrophobicContact CB-CD2 4.35Å; H108-L110 PolarHBondContact O-N 3.04Å
111	T	84.4	Confident	76.4	Confident	45 Å²	45	93.3 Å²	93.3	28%	0.276	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	170.9	-178.4	53.4	0	0	0	0	111.1	K82 S83 L85 Q117	K82-T111 WeakPolarHBondContact CA-O 3.41Å; S83-T111 PolarHBondContact N-O 3.13Å; S83-T111 PolarHBondContact O-N 3.19Å; S83-T111 PolarHBondContact O-OG1 3Å; L85-T111 HydrophobicContact CD1-CG2 3.77Å; L85-T111 HydrophobicContact CD2-CG2 4Å; L85-T111 HydrophobicContact CG-CG2 3.89Å; T111-Q117 PolarHBondContact OG1-NE2 2.96Å
112	E	83.4	Confident	76	Confident	145 Å²	145	86.9 Å²	86.9	68%	0.678	45%	0.446	S	S	*	.			trans	-60.1	146.7	171.2	-68.4	-60.4	133.2	0	0	110.6	A114	E112-A114 PolarHBondContact O-N 3.29Å
113	P	81.4	Confident	75.7	Confident	28 Å²	28	89.1 Å²	89.1	18%	0.182	46%	0.464	C	S	.	.			trans	-57	137.7	178	-21.5	32.1	0	0	0	112.2	I67 A80 V81 S83	I67-P113 HydrophobicContact CB-CB 3.93Å; I67-P113 HydrophobicContact CD1-CB 3.85Å; I67-P113 WeakPolarHBondContact CD1-O 3.29Å; I67-P113 HydrophobicContact CG2-CB 3.71Å; A80-P113 HydrophobicContact CB-CB 4.01Å; A80-P113 HydrophobicContact CB-CG 4.02Å; A80-P113 WeakPolarHBondContact O-CG 3.46Å; V81-P113 WeakPolarHBondContact O-CD 3.35Å; S83-P113 WeakPolarHBondContact OG-CA 2.85Å
114	A	71.5	Confident	75.5	Confident	39 Å²	39	87.8 Å²	87.8	32%	0.322	46%	0.459	S	S	.	.			trans	-126.9	138	175.4	0	0	0	0	0	111.2	N90 E112 D116 Q117	N90-A114 PolarHBondContact ND2-O 3.16Å; N90-A114 PolarHBondContact OD1-N 3.41Å; N90-A114 PolarHBondContact OD1-O 2.96Å; E112-A114 PolarHBondContact O-N 3.29Å; A114-D116 VanDerWaalsContact C-N 3.29Å; A114-D116 PolarHBondContact O-N 3.12Å; A114-Q117 HydrophobicContact CB-CB 4.12Å; A114-Q117 HydrophobicContact CB-CG 4.43Å; A114-Q117 WeakPolarHBondContact O-CB 3.46Å
115	K	67.8	Low	75.3	Confident	118 Å²	118	82.9 Å²	82.9	51%	0.513	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-39.3	176.8	-77.2	-176.4	169.4	179.9	0	111.8	E64 D65 I67 Q117	E64-K115 PolarHBondContact O-NZ 3.43Å; D65-K115 WeakPolarHBondContact OD1-CE 3.31Å; D65-K115 IonicContact OD1-NZ 2.96Å; D65-K115 PolarHBondContact OD1-NZ 2.73Å; I67-K115 HydrophobicContact CD1-CG 4.08Å; I67-K115 HydrophobicContact CG1-CG 3.66Å; K115-Q117 PolarHBondContact O-N 2.99Å
116	D	64.1	Low	74.9	Confident	149 Å²	149	87.6 Å²	87.6	80%	0.797	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	40.3	-175.9	-52.7	-47.4	0	0	0	111.6	A114 D118	A114-D116 VanDerWaalsContact C-N 3.29Å; A114-D116 PolarHBondContact O-N 3.12Å; D116-D118 PolarHBondContact O-N 3.29Å
117	Q	57.2	Low	74.6	Confident	14 Å²	14	83.4 Å²	83.4	7%	0.065	44%	0.444	C	S	.	.			trans	-79.6	8.9	-175.2	-153.8	152.7	20.7	0	0	115.2	S83 N90 T111 A114 K115 L119	S83-Q117 PolarHBondContact OG-OE1 2.85Å; N90-Q117 PolarHBondContact OD1-OE1 2.85Å; T111-Q117 PolarHBondContact OG1-NE2 2.96Å; A114-Q117 HydrophobicContact CB-CB 4.12Å; A114-Q117 HydrophobicContact CB-CG 4.43Å; A114-Q117 WeakPolarHBondContact O-CB 3.46Å; K115-Q117 PolarHBondContact O-N 2.99Å; Q117-L119 PolarHBondContact O-N 3.3Å
118	D	53.9	Low	74.3	Confident	144 Å²	144	82.6 Å²	82.6	77%	0.77	44%	0.436	S	S	*	.			trans	-62.4	75.5	152.6	-69	-20.5	0	0	0	107.8	D116 R120	D116-D118 PolarHBondContact O-N 3.29Å; D118-R120 PolarHBondContact O-N 3.38Å
119	L	54.5	Low	74.3	Confident	79 Å²	79	82.5 Å²	82.5	41%	0.414	44%	0.437	S	S	.	.			trans	-58.6	96.9	165.7	-81.6	160.2	0	0	0	104.8	L85 Q117 T121	L85-L119 HydrophobicContact CB-CD1 4.49Å; L85-L119 HydrophobicContact CD2-CD1 3.69Å; Q117-L119 PolarHBondContact O-N 3.3Å; L119-T121 PolarHBondContact O-N 3.01Å
120	R	63	Low	74.5	Confident	207 Å²	207	79.8 Å²	79.8	78%	0.781	43%	0.429	S	S	*	.			trans	-45.2	108.1	176.1	-68.7	-87	-171.6	175.3	0	105.5	D118 L129	D118-R120 PolarHBondContact O-N 3.38Å; R120-L129 HydrophobicContact CB-CD1 3.61Å; R120-L129 WeakPolarHBondContact O-CD1 3.35Å; R120-L129 WeakPolarHBondContact O-CG 3.5Å
121	T	73.3	Confident	74.7	Confident	44 Å²	44	78.3 Å²	78.3	27%	0.27	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-77.3	154.5	168.9	44.8	0	0	0	0	107	M88 L119 P123 H126 S127	M88-T121 HydrophobicContact CE-CG2 3.75Å; M88-T121 HydrophobicContact SD-CG2 3.6Å; M88-T121 VanDerWaalsContact SD-CG2 3.6Å; L119-T121 PolarHBondContact O-N 3.01Å; T121-P123 WeakPolarHBondContact O-CD 3.39Å; T121-H126 WeakPolarHBondContact CG2-O 3.46Å; T121-S127 WeakPolarHBondContact CA-O 3.48Å
122	C	79.9	Confident	75	Confident	4 Å²	4	77.4 Å²	77.4	3%	0.027	42%	0.415	C	S	.	.			trans	-58.5	125.9	169.4	177.5	0	0	0	0	108.6	A124 H125 H126 S127 L129 C141 C144	C122-A124 PolarHBondContact O-N 2.65Å; C122-A124 PolarHBondContact SG-N 3.41Å; C122-H125 HydrophobicContact CB-CB 4.07Å; C122-H125 PolarHBondContact O-N 3.08Å; C122-H125 PolarHBondContact SG-N 3.32Å; C122-H125 PolarHBondContact SG-ND1 3.07Å; C122-H126 VanDerWaalsContact O-CA 3.29Å; C122-H126 WeakPolarHBondContact O-CA 3.35Å; C122-H126 PolarHBondContact O-N 3.07Å; C122-S127 PolarHBondContact N-O 2.95Å; C122-L129 HydrophobicContact CB-CD2 3.93Å; C122-C141 HydrophobicContact CB-CB 3.79Å; C122-C141 VanDerWaalsContact CB-SG 3.53Å; C122-C144 PolarHBondContact SG-SG 2.88Å
123	P	79.2	Confident	75.4	Confident	116 Å²	116	70.5 Å²	70.5	75%	0.753	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.2	179.8	23.3	-32.5	0	0	0	112.8	T121	T121-P123 WeakPolarHBondContact O-CD 3.39Å
124	A	82.6	Confident	75.6	Confident	71 Å²	71	72.4 Å²	72.4	59%	0.587	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-41.1	177.8	0	0	0	0	0	113.2	C122	C122-A124 PolarHBondContact O-N 2.65Å; C122-A124 PolarHBondContact SG-N 3.41Å
125	H	81.5	Confident	76.4	Confident	64 Å²	64	74.7 Å²	74.7	30%	0.296	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-12.1	-169.7	-57.4	107.2	0	0	0	113.9	C122 S127 C141 E143 C144	C122-H125 HydrophobicContact CB-CB 4.07Å; C122-H125 PolarHBondContact O-N 3.08Å; C122-H125 PolarHBondContact SG-N 3.32Å; C122-H125 PolarHBondContact SG-ND1 3.07Å; H125-S127 PolarHBondContact O-N 3.32Å; H125-C141 PolarHBondContact ND1-SG 3.49Å; H125-C141 VanDerWaalsContact ND1-SG 3.36Å; H125-E143 HydrophobicContact CB-CB 4.35Å; H125-E143 WeakPolarHBondContact CB-OE2 3.19Å; H125-E143 IonicContact CD2-OE2 3.63Å; H125-E143 PolarHBondContact CD2-OE2 3.33Å; H125-E143 IonicContact CG-OE2 3.55Å; H125-C144 PolarHBondContact CE1-SG 2.88Å; H125-C144 PolarHBondContact ND1-SG 3.41Å
126	H	74.8	Confident	77.3	Confident	138 Å²	138	73.6 Å²	73.6	64%	0.639	40%	0.396	S	S	*	.			trans	55.7	7.7	-172.6	-55	-63.4	0	0	0	115.1	T121 C122	T121-H126 WeakPolarHBondContact CG2-O 3.46Å; C122-H126 VanDerWaalsContact O-CA 3.29Å; C122-H126 WeakPolarHBondContact O-CA 3.35Å; C122-H126 PolarHBondContact O-N 3.07Å
127	S	76.8	Confident	78.4	Confident	33 Å²	33	73.8 Å²	73.8	23%	0.231	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-81.3	151.1	173.9	-68	0	0	0	0	111.2	T121 C122 H125 E143	T121-S127 WeakPolarHBondContact CA-O 3.48Å; C122-S127 PolarHBondContact N-O 2.95Å; H125-S127 PolarHBondContact O-N 3.32Å; S127-E143 PolarHBondContact OG-OE1 2.86Å
128	P	78.6	Confident	79.9	Confident	82 Å²	82	77.4 Å²	77.4	53%	0.532	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-60.5	141.8	177	25	-33.9	0	0	0	111.2	C141	P128-C141 VanDerWaalsContact O-CB 3.25Å; P128-C141 WeakPolarHBondContact O-CB 3.45Å
129	L	85.2	Confident	81.5	Confident	35 Å²	35	73.4 Å²	73.4	18%	0.183	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.9	172.2	-58.3	172.6	0	0	0	109	R120 C122 C139 I140 C141 L157	R120-L129 HydrophobicContact CB-CD1 3.61Å; R120-L129 WeakPolarHBondContact O-CD1 3.35Å; R120-L129 WeakPolarHBondContact O-CG 3.5Å; C122-L129 HydrophobicContact CB-CD2 3.93Å; L129-C139 HydrophobicContact CB-CB 4.13Å; L129-C139 HydrophobicContact CD1-CB 3.71Å; L129-C139 WeakPolarHBondContact CD2-O 3.39Å; L129-C139 HydrophobicContact CG-CB 4.39Å; L129-I140 WeakPolarHBondContact CA-O 3.23Å; L129-C141 HydrophobicContact CD2-CB 4.28Å; L129-L157 VanDerWaalsContact O-CD1 3.28Å; L129-L157 WeakPolarHBondContact O-CD1 3.43Å
130	V	86.8	Confident	83.2	Confident	71 Å²	71	69.8 Å²	69.8	43%	0.43	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	-18.2	-170.9	-65.2	0	0	0	0	113.6	I140 Q142	V130-I140 PolarHBondContact N-O 3.32Å; V130-Q142 HydrophobicContact CG2-CB 4.21Å
131	S	88.5	Confident	84.4	Confident	19 Å²	19	59.9 Å²	59.9	13%	0.133	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	163.8	179.9	53.9	0	0	0	0	111.6	C139 I140 V155 L157	S131-C139 CarbonylContact O-C 3.51Å; S131-C139 WeakPolarHBondContact O-CA 3.35Å; S131-I140 PolarHBondContact N-O 3.48Å; S131-I140 VanDerWaalsContact N-O 3.16Å; S131-I140 PolarHBondContact O-N 3.1Å; S131-I140 WeakPolarHBondContact OG-CG1 3.41Å; S131-V155 CarbonylContact C-O 3.53Å; S131-V155 VanDerWaalsContact CA-O 3.25Å; S131-V155 WeakPolarHBondContact CA-O 3.34Å; S131-V155 VanDerWaalsContact CB-O 3.31Å; S131-V155 WeakPolarHBondContact CB-O 3.32Å; S131-L157 WeakPolarHBondContact O-CD2 3.34Å
132	F	91.5	Very high	85.1	Confident	25 Å²	25	63.9 Å²	63.9	11%	0.11	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.9	178.1	-176.8	-96.4	0	0	0	109.4	H134 Q137 T154 V155 L157 A160	F132-H134 AromaticContact CE1-ND1 3.86Å; F132-Q137 HydrophobicContact CZ-CB 4.32Å; F132-T154 VanDerWaalsContact O-CA 3.29Å; F132-T154 WeakPolarHBondContact O-CA 3.29Å; F132-V155 HydrophobicContact CB-CG2 4.21Å; F132-V155 PolarHBondContact N-O 3.31Å; F132-V155 PolarHBondContact O-N 3.04Å; F132-L157 HydrophobicContact CB-CD2 4.28Å; F132-A160 HydrophobicContact CB-CB 3.51Å; F132-A160 HydrophobicContact CD1-CB 3.89Å; F132-A160 HydrophobicContact CD2-CB 4.41Å; F132-A160 HydrophobicContact CG-CB 3.68Å
133	C	90.7	Very high	85.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.7	174.6	175.9	0	0	0	0	110	H136 Q137 Q138 I140 D152	C133-H136 PolarHBondContact SG-ND1 3.06Å; C133-Q137 WeakPolarHBondContact O-CA 3.4Å; C133-Q137 PolarHBondContact O-N 3.45Å; C133-Q138 PolarHBondContact N-O 3.31Å; C133-Q138 PolarHBondContact O-N 3.27Å; C133-I140 HydrophobicContact CB-CD1 4.23Å; C133-I140 HydrophobicContact CB-CG2 4.21Å; C133-D152 VanDerWaalsContact SG-CB 3.51Å; C133-D152 VanDerWaalsContact SG-CG 3.53Å; C133-D152 PolarHBondContact SG-OD2 3.28Å
134	H	87	Confident	85.8	Confident	69 Å²	69	62.8 Å²	62.8	32%	0.319	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.3	177.9	-77.2	-70.1	0	0	0	113.2	F132 H136 S153 V155	F132-H134 AromaticContact CE1-ND1 3.86Å; H134-H136 VanDerWaalsContact C-N 3.34Å; H134-H136 PolarHBondContact O-N 3.26Å; H134-S153 PolarHBondContact CD2-O 2.93Å; H134-S153 PolarHBondContact N-O 3.38Å; H134-V155 WeakPolarHBondContact NE2-CG2 3.38Å
135	T	86.9	Confident	86	Confident	87 Å²	87	60.5 Å²	60.5	53%	0.534	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-43.7	-179.5	-44.8	0	0	0	0	111.4	D152	T135-D152 WeakPolarHBondContact CB-OD1 3.46Å; T135-D152 PolarHBondContact OG1-OD1 3.26Å
136	H	87.2	Confident	86.3	Confident	95 Å²	95	62.3 Å²	62.3	44%	0.44	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-1.5	-173.7	-62	96.8	0	0	0	113.5	C133 H134 Q138 H149 D152	C133-H136 PolarHBondContact SG-ND1 3.06Å; H134-H136 VanDerWaalsContact C-N 3.34Å; H134-H136 PolarHBondContact O-N 3.26Å; H136-Q138 HydrophobicContact CB-CG 3.85Å; H136-Q138 PolarHBondContact O-N 3.43Å; H136-H149 AromaticContact CE1-CE1 3.77Å; H136-H149 AromaticContact CE1-ND1 3.59Å; H136-H149 AromaticContact CG-CE1 3.53Å; H136-H149 AromaticContact CG-ND1 3.88Å; H136-H149 AromaticContact ND1-CE1 3.22Å; H136-H149 PolarHBondContact ND1-CE1 3.27Å; H136-H149 AromaticContact ND1-ND1 3.1Å; H136-H149 PolarHBondContact ND1-ND1 3.43Å; H136-D152 IonicContact CE1-OD1 3.86Å; H136-D152 IonicContact CE1-OD2 3.78Å; H136-D152 PolarHBondContact CE1-OD2 3.32Å; H136-D152 IonicContact ND1-OD2 3.54Å; H136-D152 PolarHBondContact ND1-OD2 3.42Å
137	Q	87.1	Confident	86.8	Confident	153 Å²	153	57.8 Å²	57.8	72%	0.715	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	38.4	-176.5	-56.9	-168	17.3	0	0	114.4	F132 C133	F132-Q137 HydrophobicContact CZ-CB 4.32Å; C133-Q137 WeakPolarHBondContact O-CA 3.4Å; C133-Q137 PolarHBondContact O-N 3.45Å
138	Q	88.4	Confident	87.2	Confident	89 Å²	89	64 Å²	64	42%	0.416	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.6	-177	68.2	-173.6	13	0	0	112.7	C133 H136 I140 H149	C133-Q138 PolarHBondContact N-O 3.31Å; C133-Q138 PolarHBondContact O-N 3.27Å; H136-Q138 HydrophobicContact CB-CG 3.85Å; H136-Q138 PolarHBondContact O-N 3.43Å; Q138-I140 HydrophobicContact CG-CG2 3.96Å; Q138-H149 PolarHBondContact NE2-CE1 3.39Å; Q138-H149 PolarHBondContact NE2-NE2 3.15Å
139	C	88.3	Confident	87.5	Confident	60 Å²	60	60.5 Å²	60.5	41%	0.405	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136	170.3	-61.9	0	0	0	0	109.4	L129 S131 L157	L129-C139 HydrophobicContact CB-CB 4.13Å; L129-C139 HydrophobicContact CD1-CB 3.71Å; L129-C139 WeakPolarHBondContact CD2-O 3.39Å; L129-C139 HydrophobicContact CG-CB 4.39Å; S131-C139 CarbonylContact O-C 3.51Å; S131-C139 WeakPolarHBondContact O-CA 3.35Å; C139-L157 HydrophobicContact CB-CD2 4.11Å
140	I	89.5	Confident	87.5	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.015	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.8	-174.6	66.5	173.2	0	0	0	110.9	L129 V130 S131 C133 Q138 C144 H149 T154	L129-I140 WeakPolarHBondContact CA-O 3.23Å; V130-I140 PolarHBondContact N-O 3.32Å; S131-I140 PolarHBondContact N-O 3.48Å; S131-I140 VanDerWaalsContact N-O 3.16Å; S131-I140 PolarHBondContact O-N 3.1Å; S131-I140 WeakPolarHBondContact OG-CG1 3.41Å; C133-I140 HydrophobicContact CB-CD1 4.23Å; C133-I140 HydrophobicContact CB-CG2 4.21Å; Q138-I140 HydrophobicContact CG-CG2 3.96Å; I140-C144 HydrophobicContact CB-CB 3.79Å; I140-C144 HydrophobicContact CG2-CB 4.39Å; I140-H149 HydrophobicContact CD1-CB 3.83Å; I140-T154 HydrophobicContact CD1-CG2 3.77Å
141	C	88.7	Confident	87.3	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	173	170.1	69	0	0	0	0	110.6	C122 H125 P128 L129 E143 C144 G145	C122-C141 HydrophobicContact CB-CB 3.79Å; C122-C141 VanDerWaalsContact CB-SG 3.53Å; H125-C141 PolarHBondContact ND1-SG 3.49Å; H125-C141 VanDerWaalsContact ND1-SG 3.36Å; P128-C141 VanDerWaalsContact O-CB 3.25Å; P128-C141 WeakPolarHBondContact O-CB 3.45Å; L129-C141 HydrophobicContact CD2-CB 4.28Å; C141-E143 VanDerWaalsContact C-N 3.31Å; C141-E143 PolarHBondContact O-N 3.01Å; C141-C144 WeakPolarHBondContact O-CB 3.43Å; C141-C144 PolarHBondContact O-N 3.4Å; C141-C144 PolarHBondContact SG-N 3.12Å; C141-C144 VanDerWaalsContact SG-N 3.42Å; C141-G145 PolarHBondContact O-N 2.95Å
142	Q	87.2	Confident	87.2	Confident	127 Å²	127	69.1 Å²	69.1	59%	0.593	37%	0.368	S	S	*	.	H	α-helix	trans	-59.1	-42.1	179.5	-172.2	174.9	-15.6	0	0	112.2	V130 G145 E146	V130-Q142 HydrophobicContact CG2-CB 4.21Å; Q142-G145 PolarHBondContact O-N 2.87Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.44Å; Q142-E146 PolarHBondContact NE2-OE1 3.12Å; Q142-E146 WeakPolarHBondContact O-CG 3.28Å; Q142-E146 PolarHBondContact O-N 3.37Å
143	E	87	Confident	87	Confident	87 Å²	87	71.6 Å²	71.6	41%	0.407	39%	0.389	S	S	.	.	H	α-helix	trans	-63.5	-42.5	178.2	-66.5	164.5	-116.6	0	0	112.2	H125 S127 C141 G145 E146 G147	H125-E143 HydrophobicContact CB-CB 4.35Å; H125-E143 WeakPolarHBondContact CB-OE2 3.19Å; H125-E143 IonicContact CD2-OE2 3.63Å; H125-E143 PolarHBondContact CD2-OE2 3.33Å; H125-E143 IonicContact CG-OE2 3.55Å; S127-E143 PolarHBondContact OG-OE1 2.86Å; C141-E143 VanDerWaalsContact C-N 3.31Å; C141-E143 PolarHBondContact O-N 3.01Å; E143-G145 VanDerWaalsContact C-N 3.33Å; E143-G145 PolarHBondContact O-N 2.87Å; E143-E146 PolarHBondContact O-N 3.32Å; E143-G147 PolarHBondContact O-N 3.01Å
144	C	87.7	Confident	87	Confident	10 Å²	10	74.7 Å²	74.7	7%	0.068	41%	0.408	C	S	.	.	H	α-helix	trans	-60.1	-41.6	172.9	-81.4	0	0	0	0	112.3	C122 H125 I140 C141 E146 G147 E148 H149	C122-C144 PolarHBondContact SG-SG 2.88Å; H125-C144 PolarHBondContact CE1-SG 2.88Å; H125-C144 PolarHBondContact ND1-SG 3.41Å; I140-C144 HydrophobicContact CB-CB 3.79Å; I140-C144 HydrophobicContact CG2-CB 4.39Å; C141-C144 WeakPolarHBondContact O-CB 3.43Å; C141-C144 PolarHBondContact O-N 3.4Å; C141-C144 PolarHBondContact SG-N 3.12Å; C141-C144 VanDerWaalsContact SG-N 3.42Å; C144-E146 VanDerWaalsContact C-N 3.32Å; C144-E146 PolarHBondContact O-N 2.88Å; C144-G147 CarbonylContact O-C 3.55Å; C144-G147 PolarHBondContact O-N 3.36Å; C144-E148 PolarHBondContact O-N 3.27Å; C144-H149 WeakPolarHBondContact O-CB 3.39Å; C144-H149 PolarHBondContact O-N 2.89Å
145	G	87	Confident	87.1	Confident	23 Å²	23	73.2 Å²	73.2	24%	0.237	40%	0.403	C	S	.	.	H	α-helix	trans	-64.9	-34.8	177.4	0	0	0	0	0	113.2	C141 Q142 E143 R150	C141-G145 PolarHBondContact O-N 2.95Å; Q142-G145 PolarHBondContact O-N 2.87Å; E143-G145 VanDerWaalsContact C-N 3.33Å; E143-G145 PolarHBondContact O-N 2.87Å; G145-R150 PolarHBondContact O-N 3.26Å
146	E	86.7	Confident	87.3	Confident	102 Å²	102	72 Å²	72	48%	0.477	40%	0.398	S	S	.	.	H	α-helix	trans	-82.4	-20.5	176.7	-68.1	175.1	-165.1	0	0	112.8	Q142 E143 C144 R150	Q142-E146 WeakPolarHBondContact CG-OE1 3.44Å; Q142-E146 PolarHBondContact NE2-OE1 3.12Å; Q142-E146 WeakPolarHBondContact O-CG 3.28Å; Q142-E146 PolarHBondContact O-N 3.37Å; E143-E146 PolarHBondContact O-N 3.32Å; C144-E146 VanDerWaalsContact C-N 3.32Å; C144-E146 PolarHBondContact O-N 2.88Å; E146-R150 PolarHBondContact O-NE 3.49Å; E146-R150 PolarHBondContact O-NH2 3.09Å
147	G	87	Confident	87.3	Confident	44 Å²	44	70.2 Å²	70.2	45%	0.454	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-106.5	-179.9	0	0	0	0	0	112.8	E143 C144 H149 R150	E143-G147 PolarHBondContact O-N 3.01Å; C144-G147 CarbonylContact O-C 3.55Å; C144-G147 PolarHBondContact O-N 3.36Å; G147-H149 PolarHBondContact O-N 3.46Å; G147-R150 WeakPolarHBondContact O-CB 3.45Å; G147-R150 PolarHBondContact O-N 2.98Å
148	E	84.7	Confident	87.2	Confident	163 Å²	163	68.4 Å²	68.4	76%	0.762	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.4	-171.1	-63.6	-178.6	165.8	0	0	113.9	C144	C144-E148 PolarHBondContact O-N 3.27Å
149	H	85.5	Confident	87.3	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.037	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	16.3	179.6	-64.4	-69.9	0	0	0	113.4	H136 Q138 I140 C144 G147 G151 D152	H136-H149 AromaticContact CE1-CE1 3.77Å; H136-H149 AromaticContact CE1-ND1 3.59Å; H136-H149 AromaticContact CG-CE1 3.53Å; H136-H149 AromaticContact CG-ND1 3.88Å; H136-H149 AromaticContact ND1-CE1 3.22Å; H136-H149 PolarHBondContact ND1-CE1 3.27Å; H136-H149 AromaticContact ND1-ND1 3.1Å; H136-H149 PolarHBondContact ND1-ND1 3.43Å; Q138-H149 PolarHBondContact NE2-CE1 3.39Å; Q138-H149 PolarHBondContact NE2-NE2 3.15Å; I140-H149 HydrophobicContact CD1-CB 3.83Å; C144-H149 WeakPolarHBondContact O-CB 3.39Å; C144-H149 PolarHBondContact O-N 2.89Å; G147-H149 PolarHBondContact O-N 3.46Å; H149-G151 PolarHBondContact O-N 2.94Å; H149-D152 HydrophobicContact CB-CB 4.32Å; H149-D152 IonicContact CE1-OD2 3.27Å; H149-D152 IonicContact CG-OD2 3.75Å; H149-D152 IonicContact ND1-OD2 2.92Å; H149-D152 PolarHBondContact ND1-OD2 3.36Å; H149-D152 WeakPolarHBondContact O-CB 3.43Å; H149-D152 PolarHBondContact O-N 2.88Å
150	R	83.8	Confident	87.4	Confident	190 Å²	190	62.6 Å²	62.6	72%	0.717	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	110	178.8	-178.7	-178.7	-70.9	-101.7	-1.3	110.2	G145 E146 G147	G145-R150 PolarHBondContact O-N 3.26Å; E146-R150 PolarHBondContact O-NE 3.49Å; E146-R150 PolarHBondContact O-NH2 3.09Å; G147-R150 WeakPolarHBondContact O-CB 3.45Å; G147-R150 PolarHBondContact O-N 2.98Å
151	G	82.5	Confident	87.4	Confident	82 Å²	82	70.5 Å²	70.5	85%	0.845	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.6	-7	-179.1	0	0	0	0	0	114.3	H149	H149-G151 PolarHBondContact O-N 2.94Å
152	D	87.7	Confident	87.6	Confident	35 Å²	35	78 Å²	78	19%	0.187	42%	0.416	C	S	.	.	S	Bend	trans	-69.6	154.6	170.5	-77.8	-32	0	0	0	111.9	C133 T135 H136 H149 T154	C133-D152 VanDerWaalsContact SG-CB 3.51Å; C133-D152 VanDerWaalsContact SG-CG 3.53Å; C133-D152 PolarHBondContact SG-OD2 3.28Å; T135-D152 WeakPolarHBondContact CB-OD1 3.46Å; T135-D152 PolarHBondContact OG1-OD1 3.26Å; H136-D152 IonicContact CE1-OD1 3.86Å; H136-D152 IonicContact CE1-OD2 3.78Å; H136-D152 PolarHBondContact CE1-OD2 3.32Å; H136-D152 IonicContact ND1-OD2 3.54Å; H136-D152 PolarHBondContact ND1-OD2 3.42Å; H149-D152 HydrophobicContact CB-CB 4.32Å; H149-D152 IonicContact CE1-OD2 3.27Å; H149-D152 IonicContact CG-OD2 3.75Å; H149-D152 IonicContact ND1-OD2 2.92Å; H149-D152 PolarHBondContact ND1-OD2 3.36Å; H149-D152 WeakPolarHBondContact O-CB 3.43Å; H149-D152 PolarHBondContact O-N 2.88Å; D152-T154 HydrophobicContact CB-CG2 4.43Å; D152-T154 PolarHBondContact O-N 2.8Å
153	S	87.4	Confident	87.7	Confident	76 Å²	76	76 Å²	76	53%	0.531	41%	0.41	S	S	.	.			trans	-72.7	98.7	171.2	-174.3	0	0	0	0	109.8	H134	H134-S153 PolarHBondContact CD2-O 2.93Å; H134-S153 PolarHBondContact N-O 3.38Å
154	T	89	Confident	87.8	Confident	65 Å²	65	76.8 Å²	76.8	40%	0.399	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.6	178.3	61.2	0	0	0	0	111.7	F132 I140 D152	F132-T154 VanDerWaalsContact O-CA 3.29Å; F132-T154 WeakPolarHBondContact O-CA 3.29Å; I140-T154 HydrophobicContact CD1-CG2 3.77Å; D152-T154 HydrophobicContact CB-CG2 4.43Å; D152-T154 PolarHBondContact O-N 2.8Å
155	V	90	Very high	88	Confident	38 Å²	38	78.9 Å²	78.9	23%	0.23	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	163.8	173.6	-62.2	0	0	0	0	110.6	S131 F132 H134 A159 A160	S131-V155 CarbonylContact C-O 3.53Å; S131-V155 VanDerWaalsContact CA-O 3.25Å; S131-V155 WeakPolarHBondContact CA-O 3.34Å; S131-V155 VanDerWaalsContact CB-O 3.31Å; S131-V155 WeakPolarHBondContact CB-O 3.32Å; F132-V155 HydrophobicContact CB-CG2 4.21Å; F132-V155 PolarHBondContact N-O 3.31Å; F132-V155 PolarHBondContact O-N 3.04Å; H134-V155 WeakPolarHBondContact NE2-CG2 3.38Å; V155-A159 HydrophobicContact CB-CB 4.28Å; V155-A160 HydrophobicContact CG2-CB 3.77Å
156	S	90	Very high	88.3	Confident	61 Å²	61	81.5 Å²	81.5	43%	0.427	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	151.8	172.1	68.6	0	0	0	0	111	D158 A159 A160	S156-D158 PolarHBondContact O-N 3.25Å; S156-A159 PolarHBondContact O-N 3.36Å; S156-A159 WeakPolarHBondContact OG-CB 3.3Å; S156-A159 PolarHBondContact OG-N 3.11Å; S156-A160 PolarHBondContact O-N 3.4Å
157	L	88.1	Confident	88.5	Confident	58 Å²	58	80.3 Å²	80.3	30%	0.304	43%	0.429	S	S	.	.	H	α-helix	trans	-55.9	-39.2	177.5	-65.1	-179.9	0	0	0	112.2	L129 S131 F132 C139 A159 A160 R161	L129-L157 VanDerWaalsContact O-CD1 3.28Å; L129-L157 WeakPolarHBondContact O-CD1 3.43Å; S131-L157 WeakPolarHBondContact O-CD2 3.34Å; F132-L157 HydrophobicContact CB-CD2 4.28Å; C139-L157 HydrophobicContact CB-CD2 4.11Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.09Å; L157-A160 PolarHBondContact O-N 2.68Å; L157-R161 VanDerWaalsContact O-CB 3.25Å; L157-R161 WeakPolarHBondContact O-CB 3.41Å; L157-R161 PolarHBondContact O-N 3.25Å
158	D	85.7	Confident	88.8	Confident	115 Å²	115	82.3 Å²	82.3	62%	0.615	43%	0.429	S	S	*	.	H	α-helix	trans	-65.3	-34.7	177.1	-65.6	-28.4	0	0	0	113.2	S156 R162	S156-D158 PolarHBondContact O-N 3.25Å; D158-R162 WeakPolarHBondContact O-CB 3.49Å; D158-R162 VanDerWaalsContact O-CG 3.32Å; D158-R162 WeakPolarHBondContact O-CG 3.33Å; D158-R162 PolarHBondContact O-N 3.34Å; D158-R162 VanDerWaalsContact O-N 3.13Å; D158-R162 PolarHBondContact O-NE 2.98Å
159	A	89.5	Confident	89.3	Confident	21 Å²	21	80.7 Å²	80.7	17%	0.174	42%	0.416	C	S	.	.	H	α-helix	trans	-72.3	-45.3	175.3	0	0	0	0	0	111	V155 S156 L157 R161 R162 N163	V155-A159 HydrophobicContact CB-CB 4.28Å; S156-A159 PolarHBondContact O-N 3.36Å; S156-A159 WeakPolarHBondContact OG-CB 3.3Å; S156-A159 PolarHBondContact OG-N 3.11Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.09Å; A159-R161 PolarHBondContact O-N 3.48Å; A159-R162 PolarHBondContact O-N 3.04Å; A159-N163 PolarHBondContact O-N 3.4Å
160	A	90.1	Very high	89.6	Confident	6 Å²	6	83.8 Å²	83.8	5%	0.05	44%	0.438	C	S	.	.	H	α-helix	trans	-59.7	-45.5	175.2	0	0	0	0	0	111.9	F132 V155 S156 L157 N163 K164	F132-A160 HydrophobicContact CB-CB 3.51Å; F132-A160 HydrophobicContact CD1-CB 3.89Å; F132-A160 HydrophobicContact CD2-CB 4.41Å; F132-A160 HydrophobicContact CG-CB 3.68Å; V155-A160 HydrophobicContact CG2-CB 3.77Å; S156-A160 PolarHBondContact O-N 3.4Å; L157-A160 PolarHBondContact O-N 2.68Å; A160-N163 PolarHBondContact O-N 2.99Å; A160-K164 WeakPolarHBondContact O-CG 3.49Å; A160-K164 PolarHBondContact O-N 2.93Å
161	R	90.9	Very high	90	Very high	169 Å²	169	80 Å²	80	64%	0.638	43%	0.429	S	S	*	.	H	α-helix	trans	-58	-50.4	176.2	178.5	176.6	176.2	137.5	3.3	111.2	L157 A159 N163 K164 E165	L157-R161 VanDerWaalsContact O-CB 3.25Å; L157-R161 WeakPolarHBondContact O-CB 3.41Å; L157-R161 PolarHBondContact O-N 3.25Å; A159-R161 PolarHBondContact O-N 3.48Å; R161-N163 VanDerWaalsContact C-N 3.3Å; R161-N163 PolarHBondContact O-N 2.99Å; R161-K164 PolarHBondContact O-N 2.97Å; R161-K164 VanDerWaalsContact O-N 3.16Å; R161-E165 HydrophobicContact CG-CG 4.23Å; R161-E165 WeakPolarHBondContact CG-OE1 3.5Å; R161-E165 IonicContact CZ-OE1 3.33Å; R161-E165 IonicContact NE-OE1 3.37Å; R161-E165 PolarHBondContact NE-OE1 2.96Å; R161-E165 IonicContact NH2-OE1 2.7Å; R161-E165 PolarHBondContact NH2-OE1 3Å; R161-E165 WeakPolarHBondContact O-CB 3.5Å; R161-E165 WeakPolarHBondContact O-CG 3.45Å; R161-E165 PolarHBondContact O-N 3.38Å
162	R	91.8	Very high	90.4	Very high	157 Å²	157	80.9 Å²	80.9	59%	0.592	41%	0.411	S	S	*	.	H	α-helix	trans	-57.7	-43	178	-79.1	-177.8	-70.3	156.6	-5	112.2	D158 A159 E165 V166	D158-R162 WeakPolarHBondContact O-CB 3.49Å; D158-R162 VanDerWaalsContact O-CG 3.32Å; D158-R162 WeakPolarHBondContact O-CG 3.33Å; D158-R162 PolarHBondContact O-N 3.34Å; D158-R162 VanDerWaalsContact O-N 3.13Å; D158-R162 PolarHBondContact O-NE 2.98Å; A159-R162 PolarHBondContact O-N 3.04Å; R162-E165 PolarHBondContact O-N 2.99Å; R162-V166 WeakPolarHBondContact O-CG2 3.35Å; R162-V166 PolarHBondContact O-N 3.45Å; R162-V166 VanDerWaalsContact O-N 3.09Å
163	N	89.1	Confident	90.7	Very high	86 Å²	86	84.3 Å²	84.3	46%	0.46	43%	0.429	S	S	.	.	H	α-helix	trans	-63	-46.1	176.2	-69.8	-15.5	0	0	0	111.5	A159 A160 R161 E165 V166 D167	A159-N163 PolarHBondContact O-N 3.4Å; A160-N163 PolarHBondContact O-N 2.99Å; R161-N163 VanDerWaalsContact C-N 3.3Å; R161-N163 PolarHBondContact O-N 2.99Å; N163-E165 PolarHBondContact O-N 3.17Å; N163-V166 WeakPolarHBondContact O-CB 3.41Å; N163-V166 PolarHBondContact O-N 2.98Å; N163-D167 PolarHBondContact O-N 3.29Å
164	K	89.9	Confident	90.8	Very high	104 Å²	104	84.1 Å²	84.1	45%	0.452	42%	0.422	S	S	.	.	H	α-helix	trans	-68.7	-31.3	178.8	-67.2	-60.3	174.9	-165.5	0	113.8	A160 R161 D167 L168	A160-K164 WeakPolarHBondContact O-CG 3.49Å; A160-K164 PolarHBondContact O-N 2.93Å; R161-K164 PolarHBondContact O-N 2.97Å; R161-K164 VanDerWaalsContact O-N 3.16Å; K164-D167 IonicContact NZ-OD2 3.37Å; K164-D167 PolarHBondContact NZ-OD2 3.05Å; K164-D167 PolarHBondContact O-N 3.43Å; K164-L168 VanDerWaalsContact O-CB 3.24Å; K164-L168 WeakPolarHBondContact O-CB 3.32Å; K164-L168 PolarHBondContact O-N 2.94Å
165	E	92.6	Very high	90.8	Very high	54 Å²	54	85.8 Å²	85.8	25%	0.252	43%	0.428	S	S	.	.	H	α-helix	trans	-66.9	-36.2	170.7	-74.9	-179.2	-173	0	0	111.9	R161 R162 N163 R169	R161-E165 HydrophobicContact CG-CG 4.23Å; R161-E165 WeakPolarHBondContact CG-OE1 3.5Å; R161-E165 IonicContact CZ-OE1 3.33Å; R161-E165 IonicContact NE-OE1 3.37Å; R161-E165 PolarHBondContact NE-OE1 2.96Å; R161-E165 IonicContact NH2-OE1 2.7Å; R161-E165 PolarHBondContact NH2-OE1 3Å; R161-E165 WeakPolarHBondContact O-CB 3.5Å; R161-E165 WeakPolarHBondContact O-CG 3.45Å; R161-E165 PolarHBondContact O-N 3.38Å; R162-E165 PolarHBondContact O-N 2.99Å; N163-E165 PolarHBondContact O-N 3.17Å; E165-R169 WeakPolarHBondContact O-CB 3.43Å; E165-R169 VanDerWaalsContact O-CG 3.26Å; E165-R169 WeakPolarHBondContact O-CG 3.34Å; E165-R169 PolarHBondContact O-N 3.05Å; E165-R169 IonicContact OE2-CZ 3.98Å; E165-R169 IonicContact OE2-NH1 3.75Å; E165-R169 IonicContact OE2-NH2 3.65Å; E165-R169 PolarHBondContact OE2-NH2 3.41Å
166	V	93.3	Very high	90.9	Very high	78 Å²	78	89.6 Å²	89.6	47%	0.473	44%	0.444	S	S	.	.	H	α-helix	trans	-66.3	-47.6	172.6	173	0	0	0	0	110.5	R162 N163 L168 R169 C170	R162-V166 WeakPolarHBondContact O-CG2 3.35Å; R162-V166 PolarHBondContact O-N 3.45Å; R162-V166 VanDerWaalsContact O-N 3.09Å; N163-V166 WeakPolarHBondContact O-CB 3.41Å; N163-V166 PolarHBondContact O-N 2.98Å; V166-L168 VanDerWaalsContact C-N 3.29Å; V166-L168 PolarHBondContact O-N 3.06Å; V166-R169 PolarHBondContact O-N 3.4Å; V166-C170 PolarHBondContact O-N 3.24Å; V166-C170 PolarHBondContact O-SG 3.31Å
167	D	90.8	Very high	90.9	Very high	76 Å²	76	92.7 Å²	92.7	41%	0.406	45%	0.451	S	S	.	.	H	α-helix	trans	-55.7	-45.3	174.6	-69.3	-15.5	0	0	0	111.1	N163 K164 C170 M171	N163-D167 PolarHBondContact O-N 3.29Å; K164-D167 IonicContact NZ-OD2 3.37Å; K164-D167 PolarHBondContact NZ-OD2 3.05Å; K164-D167 PolarHBondContact O-N 3.43Å; D167-C170 WeakPolarHBondContact O-CB 3.36Å; D167-C170 PolarHBondContact O-N 2.9Å; D167-M171 WeakPolarHBondContact O-CG 3.49Å; D167-M171 PolarHBondContact O-N 3.48Å
168	L	92.9	Very high	90.9	Very high	87 Å²	87	94.8 Å²	94.8	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-62.2	-45.8	178.6	-175.4	66.2	0	0	0	112.1	K164 V166 C170 M171 Q172	K164-L168 VanDerWaalsContact O-CB 3.24Å; K164-L168 WeakPolarHBondContact O-CB 3.32Å; K164-L168 PolarHBondContact O-N 2.94Å; V166-L168 VanDerWaalsContact C-N 3.29Å; V166-L168 PolarHBondContact O-N 3.06Å; L168-C170 VanDerWaalsContact C-N 3.32Å; L168-C170 PolarHBondContact O-N 3.33Å; L168-M171 HydrophobicContact CB-CE 4.45Å; L168-M171 HydrophobicContact CD1-CE 4Å; L168-M171 PolarHBondContact O-N 3.27Å; L168-Q172 WeakPolarHBondContact O-CG 3.5Å; L168-Q172 PolarHBondContact O-N 3.27Å
169	R	94.5	Very high	91	Very high	128 Å²	128	94.3 Å²	94.3	48%	0.483	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-39.7	175.4	-72.2	177.7	-162.2	109.1	4.7	111.4	E165 V166 Q172 L173	E165-R169 WeakPolarHBondContact O-CB 3.43Å; E165-R169 VanDerWaalsContact O-CG 3.26Å; E165-R169 WeakPolarHBondContact O-CG 3.34Å; E165-R169 PolarHBondContact O-N 3.05Å; E165-R169 IonicContact OE2-CZ 3.98Å; E165-R169 IonicContact OE2-NH1 3.75Å; E165-R169 IonicContact OE2-NH2 3.65Å; E165-R169 PolarHBondContact OE2-NH2 3.41Å; V166-R169 PolarHBondContact O-N 3.4Å; R169-Q172 PolarHBondContact O-N 3.12Å; R169-L173 WeakPolarHBondContact O-CG 3.28Å; R169-L173 PolarHBondContact O-N 3.2Å
170	C	93.2	Very high	91.2	Very high	74 Å²	74	99.8 Å²	99.8	50%	0.5	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-43	174.2	-72	0	0	0	0	111.9	V166 D167 L168 L173 D174	V166-C170 PolarHBondContact O-N 3.24Å; V166-C170 PolarHBondContact O-SG 3.31Å; D167-C170 WeakPolarHBondContact O-CB 3.36Å; D167-C170 PolarHBondContact O-N 2.9Å; L168-C170 VanDerWaalsContact C-N 3.32Å; L168-C170 PolarHBondContact O-N 3.33Å; C170-L173 PolarHBondContact O-N 3.44Å; C170-D174 PolarHBondContact O-N 3.46Å
171	M	90.3	Very high	91.1	Very high	110 Å²	110	104.5 Å²	104.5	54%	0.542	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-41.1	174.9	-70.9	-173.9	-65	0	0	112.1	D167 L168 D174 L175	D167-M171 WeakPolarHBondContact O-CG 3.49Å; D167-M171 PolarHBondContact O-N 3.48Å; L168-M171 HydrophobicContact CB-CE 4.45Å; L168-M171 HydrophobicContact CD1-CE 4Å; L168-M171 PolarHBondContact O-N 3.27Å; M171-D174 PolarHBondContact O-N 3.08Å; M171-L175 WeakPolarHBondContact O-CG 3.47Å; M171-L175 PolarHBondContact O-N 3.48Å
172	Q	92.2	Very high	90.8	Very high	100 Å²	100	101.2 Å²	101.2	47%	0.467	49%	0.493	S	S	.	.	H	α-helix	trans	-60	-48.1	174.8	-75.7	175.5	-19.6	0	0	111.4	L168 R169 D174 L175 E176	L168-Q172 WeakPolarHBondContact O-CG 3.5Å; L168-Q172 PolarHBondContact O-N 3.27Å; R169-Q172 PolarHBondContact O-N 3.12Å; Q172-D174 PolarHBondContact O-N 2.9Å; Q172-L175 PolarHBondContact O-N 2.9Å; Q172-E176 WeakPolarHBondContact O-CG 3.3Å; Q172-E176 PolarHBondContact O-N 3.36Å
173	L	94.2	Very high	90.8	Very high	107 Å²	107	99.8 Å²	99.8	56%	0.56	49%	0.493	S	S	*	.	H	α-helix	trans	-61.8	-40	177.3	-72.4	170.7	0	0	0	112.8	R169 C170 E176 Q177	R169-L173 WeakPolarHBondContact O-CG 3.28Å; R169-L173 PolarHBondContact O-N 3.2Å; C170-L173 PolarHBondContact O-N 3.44Å; L173-E176 PolarHBondContact O-N 3.12Å; L173-Q177 WeakPolarHBondContact O-CB 3.45Å; L173-Q177 PolarHBondContact O-N 2.98Å
174	D	88.5	Confident	90.9	Very high	72 Å²	72	99.5 Å²	99.5	39%	0.385	49%	0.492	S	S	.	.	H	α-helix	trans	-64.6	-40.6	175	176.9	65.1	0	0	0	111.7	C170 M171 Q172 Q177 K178	C170-D174 PolarHBondContact O-N 3.46Å; M171-D174 PolarHBondContact O-N 3.08Å; Q172-D174 PolarHBondContact O-N 2.9Å; D174-Q177 PolarHBondContact O-N 3.36Å; D174-K178 WeakPolarHBondContact O-CB 3.42Å; D174-K178 VanDerWaalsContact O-CG 3.3Å; D174-K178 WeakPolarHBondContact O-CG 3.45Å; D174-K178 PolarHBondContact O-N 3.4Å; D174-K178 IonicContact OD1-NZ 3.87Å; D174-K178 WeakPolarHBondContact OD2-CE 3.39Å; D174-K178 IonicContact OD2-NZ 3.11Å; D174-K178 PolarHBondContact OD2-NZ 3.25Å
175	L	88.8	Confident	90.7	Very high	100 Å²	100	96.8 Å²	96.8	52%	0.524	49%	0.489	S	S	.	.	H	α-helix	trans	-65.2	-45.6	174.6	-73	173.8	0	0	0	112	M171 Q172 Q177 K178 L179	M171-L175 WeakPolarHBondContact O-CG 3.47Å; M171-L175 PolarHBondContact O-N 3.48Å; Q172-L175 PolarHBondContact O-N 2.9Å; L175-Q177 VanDerWaalsContact C-N 3.31Å; L175-Q177 PolarHBondContact O-N 3.35Å; L175-K178 PolarHBondContact O-N 3.41Å; L175-L179 WeakPolarHBondContact O-CB 3.34Å; L175-L179 WeakPolarHBondContact O-CG 3.21Å; L175-L179 PolarHBondContact O-N 2.63Å
176	E	93.1	Very high	90.4	Very high	119 Å²	119	98.7 Å²	98.7	56%	0.556	50%	0.5	S	S	*	.	H	α-helix	trans	-59.1	-42.3	175.1	-74.4	175.4	178.4	0	0	111.6	Q172 L173 L179 K180	Q172-E176 WeakPolarHBondContact O-CG 3.3Å; Q172-E176 PolarHBondContact O-N 3.36Å; L173-E176 PolarHBondContact O-N 3.12Å; E176-L179 PolarHBondContact O-N 2.94Å; E176-K180 WeakPolarHBondContact O-CB 3.41Å; E176-K180 PolarHBondContact O-N 3.39Å
177	Q	90.5	Very high	90.4	Very high	125 Å²	125	97.3 Å²	97.3	58%	0.584	50%	0.497	S	S	*	.	H	α-helix	trans	-62.9	-43.6	175.7	-174.1	176.2	8.7	0	0	111.7	L173 D174 L175 K180 L181	L173-Q177 WeakPolarHBondContact O-CB 3.45Å; L173-Q177 PolarHBondContact O-N 2.98Å; D174-Q177 PolarHBondContact O-N 3.36Å; L175-Q177 VanDerWaalsContact C-N 3.31Å; L175-Q177 PolarHBondContact O-N 3.35Å; Q177-K180 PolarHBondContact O-N 3.37Å; Q177-L181 WeakPolarHBondContact O-CG 3.32Å; Q177-L181 PolarHBondContact O-N 2.94Å
178	K	86.5	Confident	90.4	Very high	102 Å²	102	102.6 Å²	102.6	44%	0.443	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-42.5	176.1	-75	167.4	177.6	167.6	0	112.1	D174 L175 L181 N182	D174-K178 WeakPolarHBondContact O-CB 3.42Å; D174-K178 VanDerWaalsContact O-CG 3.3Å; D174-K178 WeakPolarHBondContact O-CG 3.45Å; D174-K178 PolarHBondContact O-N 3.4Å; D174-K178 IonicContact OD1-NZ 3.87Å; D174-K178 WeakPolarHBondContact OD2-CE 3.39Å; D174-K178 IonicContact OD2-NZ 3.11Å; D174-K178 PolarHBondContact OD2-NZ 3.25Å; L175-K178 PolarHBondContact O-N 3.41Å; K178-L181 PolarHBondContact O-N 3.05Å; K178-N182 PolarHBondContact O-N 3.21Å
179	L	89.2	Confident	90.2	Very high	106 Å²	106	102.1 Å²	102.1	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-59.1	-48.6	174.8	-74.6	171.5	0	0	0	110.9	L175 E176 L181 N182 E183	L175-L179 WeakPolarHBondContact O-CB 3.34Å; L175-L179 WeakPolarHBondContact O-CG 3.21Å; L175-L179 PolarHBondContact O-N 2.63Å; E176-L179 PolarHBondContact O-N 2.94Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 3.31Å; L179-N182 WeakPolarHBondContact O-CB 3.29Å; L179-N182 PolarHBondContact O-N 2.98Å; L179-N182 VanDerWaalsContact O-N 3.08Å; L179-E183 WeakPolarHBondContact O-CG 3.5Å; L179-E183 PolarHBondContact O-N 2.9Å
180	K	92.3	Very high	90	Very high	136 Å²	136	101.9 Å²	101.9	59%	0.591	51%	0.513	S	S	*	.	H	α-helix	trans	-61.1	-37.5	176.7	-172.2	172.8	-174.3	171.8	0	112.9	E176 Q177 N184	E176-K180 WeakPolarHBondContact O-CB 3.41Å; E176-K180 PolarHBondContact O-N 3.39Å; Q177-K180 PolarHBondContact O-N 3.37Å; K180-N184 WeakPolarHBondContact O-CB 3.31Å; K180-N184 VanDerWaalsContact O-CG 3.3Å; K180-N184 PolarHBondContact O-N 3.44Å; K180-N184 PolarHBondContact O-ND2 3.44Å
181	L	87.8	Confident	90	Very high	105 Å²	105	101.3 Å²	101.3	55%	0.55	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-41.3	174	-74	172.6	0	0	0	111.6	Q177 K178 L179 N184 A185	Q177-L181 WeakPolarHBondContact O-CG 3.32Å; Q177-L181 PolarHBondContact O-N 2.94Å; K178-L181 PolarHBondContact O-N 3.05Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 3.31Å; L181-N184 PolarHBondContact O-N 3.04Å; L181-A185 WeakPolarHBondContact O-CB 3.46Å; L181-A185 PolarHBondContact O-N 3.21Å
182	N	85.8	Confident	89.9	Confident	99 Å²	99	98.9 Å²	98.9	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-45.3	175.7	-70.9	-10.7	0	0	0	111.6	K178 L179 N184 A185 I186	K178-N182 PolarHBondContact O-N 3.21Å; L179-N182 WeakPolarHBondContact O-CB 3.29Å; L179-N182 PolarHBondContact O-N 2.98Å; L179-N182 VanDerWaalsContact O-N 3.08Å; N182-N184 VanDerWaalsContact C-N 3.34Å; N182-N184 PolarHBondContact O-N 3.4Å; N182-A185 WeakPolarHBondContact O-CB 3.43Å; N182-A185 PolarHBondContact O-N 3.47Å; N182-A185 VanDerWaalsContact O-N 3.12Å; N182-I186 VanDerWaalsContact O-CG1 3.31Å; N182-I186 WeakPolarHBondContact O-CG1 3.15Å; N182-I186 PolarHBondContact O-N 2.95Å
183	E	91.8	Very high	89.7	Confident	127 Å²	127	99.6 Å²	99.6	59%	0.593	51%	0.506	S	S	*	.	H	α-helix	trans	-57.7	-45.4	175.4	-72.1	172.4	168.6	0	0	111.8	L179 A185 I186 A187	L179-E183 WeakPolarHBondContact O-CG 3.5Å; L179-E183 PolarHBondContact O-N 2.9Å; E183-A185 VanDerWaalsContact C-N 3.33Å; E183-A185 PolarHBondContact O-N 3.45Å; E183-I186 PolarHBondContact O-N 3.41Å; E183-A187 PolarHBondContact O-N 3.31Å
184	N	89.9	Confident	89.6	Confident	81 Å²	81	101.5 Å²	101.5	43%	0.433	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-38.5	175.2	-74.7	-49.5	0	0	0	112.4	K180 L181 N182 A187 R188	K180-N184 WeakPolarHBondContact O-CB 3.31Å; K180-N184 VanDerWaalsContact O-CG 3.3Å; K180-N184 PolarHBondContact O-N 3.44Å; K180-N184 PolarHBondContact O-ND2 3.44Å; L181-N184 PolarHBondContact O-N 3.04Å; N182-N184 VanDerWaalsContact C-N 3.34Å; N182-N184 PolarHBondContact O-N 3.4Å; N184-A187 PolarHBondContact O-N 2.98Å; N184-R188 WeakPolarHBondContact O-CG 3.33Å; N184-R188 PolarHBondContact O-N 3.31Å
185	A	85.8	Confident	89.7	Confident	47 Å²	47	101.1 Å²	101.1	39%	0.388	51%	0.513	S	S	.	.	H	α-helix	trans	-65.8	-42.5	175.6	0	0	0	0	0	111.4	L181 N182 E183 R188 L189	L181-A185 WeakPolarHBondContact O-CB 3.46Å; L181-A185 PolarHBondContact O-N 3.21Å; N182-A185 WeakPolarHBondContact O-CB 3.43Å; N182-A185 PolarHBondContact O-N 3.47Å; N182-A185 VanDerWaalsContact O-N 3.12Å; E183-A185 VanDerWaalsContact C-N 3.33Å; E183-A185 PolarHBondContact O-N 3.45Å; A185-R188 WeakPolarHBondContact O-CB 3.37Å; A185-R188 PolarHBondContact O-N 2.92Å; A185-L189 WeakPolarHBondContact O-CG 3.46Å; A185-L189 PolarHBondContact O-N 3.45Å
186	I	88.2	Confident	89.7	Confident	93 Å²	93	98.7 Å²	98.7	48%	0.477	50%	0.502	S	S	.	.	H	α-helix	trans	-60.1	-46.6	174.4	-68.8	165.1	0	0	0	110.4	N182 E183 R188 L189 Q190	N182-I186 VanDerWaalsContact O-CG1 3.31Å; N182-I186 WeakPolarHBondContact O-CG1 3.15Å; N182-I186 PolarHBondContact O-N 2.95Å; E183-I186 PolarHBondContact O-N 3.41Å; I186-R188 VanDerWaalsContact C-N 3.3Å; I186-R188 PolarHBondContact O-N 3.07Å; I186-L189 PolarHBondContact O-N 3.35Å; I186-L189 VanDerWaalsContact O-N 3.12Å; I186-Q190 HydrophobicContact CG2-CG 4.4Å; I186-Q190 WeakPolarHBondContact O-CG 3.27Å; I186-Q190 PolarHBondContact O-N 3.39Å
187	A	92.8	Very high	89.7	Confident	50 Å²	50	97.6 Å²	97.6	41%	0.413	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-39.2	177.6	0	0	0	0	0	112.2	E183 N184 Q190 A191	E183-A187 PolarHBondContact O-N 3.31Å; N184-A187 PolarHBondContact O-N 2.98Å; A187-Q190 PolarHBondContact O-N 3.49Å; A187-A191 WeakPolarHBondContact O-CB 3.46Å; A187-A191 PolarHBondContact O-N 2.9Å
188	R	89.6	Confident	89.8	Confident	186 Å²	186	95.4 Å²	95.4	70%	0.702	49%	0.494	S	S	*	.	H	α-helix	trans	-65.1	-41.1	173.8	-72.9	174.8	-178	-176.7	2.9	112.3	N184 A185 I186 A191 N192	N184-R188 WeakPolarHBondContact O-CG 3.33Å; N184-R188 PolarHBondContact O-N 3.31Å; A185-R188 WeakPolarHBondContact O-CB 3.37Å; A185-R188 PolarHBondContact O-N 2.92Å; I186-R188 VanDerWaalsContact C-N 3.3Å; I186-R188 PolarHBondContact O-N 3.07Å; R188-A191 PolarHBondContact O-N 2.85Å; R188-N192 WeakPolarHBondContact O-CB 3.35Å; R188-N192 PolarHBondContact O-N 3.21Å
189	L	88.7	Confident	90.1	Very high	78 Å²	78	93.2 Å²	93.2	41%	0.408	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-38.9	175.4	-71.9	171.6	0	0	0	111.7	A185 I186 N192 H193 T337 V339	A185-L189 WeakPolarHBondContact O-CG 3.46Å; A185-L189 PolarHBondContact O-N 3.45Å; I186-L189 PolarHBondContact O-N 3.35Å; I186-L189 VanDerWaalsContact O-N 3.12Å; L189-N192 PolarHBondContact O-N 2.95Å; L189-H193 WeakPolarHBondContact O-CB 3.49Å; L189-H193 PolarHBondContact O-N 3.13Å; L189-T337 HydrophobicContact CD2-CG2 3.68Å; L189-V339 HydrophobicContact CD2-CG2 3.96Å
190	Q	91.8	Very high	90.2	Very high	123 Å²	123	90.6 Å²	90.6	58%	0.575	48%	0.48	S	S	*	.	H	α-helix	trans	-65.4	-39.8	174.2	-71.6	174.7	-20.4	0	0	112.2	I186 A187 H193 K194	I186-Q190 HydrophobicContact CG2-CG 4.4Å; I186-Q190 WeakPolarHBondContact O-CG 3.27Å; I186-Q190 PolarHBondContact O-N 3.39Å; A187-Q190 PolarHBondContact O-N 3.49Å; Q190-H193 PolarHBondContact O-N 3.48Å; Q190-K194 PolarHBondContact O-N 2.82Å; Q190-K194 VanDerWaalsContact O-N 3.16Å
191	A	91.4	Very high	90.3	Very high	61 Å²	61	87.1 Å²	87.1	50%	0.504	47%	0.473	S	S	.	.	H	α-helix	trans	-65.4	-42.8	173	0	0	0	0	0	111.6	A187 R188 K194 S195	A187-A191 WeakPolarHBondContact O-CB 3.46Å; A187-A191 PolarHBondContact O-N 2.9Å; R188-A191 PolarHBondContact O-N 2.85Å; A191-K194 PolarHBondContact O-N 3.12Å; A191-S195 PolarHBondContact O-N 3.36Å
192	N	89	Confident	90.6	Very high	60 Å²	60	87.8 Å²	87.8	32%	0.321	47%	0.473	S	S	.	.	H	α-helix	trans	-61.4	-43.5	174.7	179.6	-112.4	0	0	0	111.6	R188 L189 K194 S195 V196 T337	R188-N192 WeakPolarHBondContact O-CB 3.35Å; R188-N192 PolarHBondContact O-N 3.21Å; L189-N192 PolarHBondContact O-N 2.95Å; N192-K194 VanDerWaalsContact C-N 3.35Å; N192-K194 PolarHBondContact O-N 3.5Å; N192-S195 WeakPolarHBondContact O-CB 3.32Å; N192-S195 PolarHBondContact O-N 2.97Å; N192-S195 VanDerWaalsContact O-N 3.12Å; N192-V196 WeakPolarHBondContact O-CG2 3.49Å; N192-V196 PolarHBondContact O-N 2.89Å; N192-T337 WeakPolarHBondContact OD1-CG2 3.34Å; N192-T337 PolarHBondContact OD1-OG1 2.87Å
193	H	88.3	Confident	90.9	Very high	115 Å²	115	88 Å²	88	53%	0.532	48%	0.478	S	S	.	.	H	α-helix	trans	-54.8	-48.1	174.2	172.5	-89.9	0	0	0	111.9	L189 Q190 S195 V196 L197	L189-H193 WeakPolarHBondContact O-CB 3.49Å; L189-H193 PolarHBondContact O-N 3.13Å; Q190-H193 PolarHBondContact O-N 3.48Å; H193-S195 PolarHBondContact O-N 3.32Å; H193-V196 PolarHBondContact O-N 3.05Å; H193-L197 VanDerWaalsContact CE1-CD1 3.5Å; H193-L197 WeakPolarHBondContact CE1-CD1 3.38Å; H193-L197 WeakPolarHBondContact O-CG 3.45Å; H193-L197 PolarHBondContact O-N 3.02Å; H193-L197 VanDerWaalsContact O-N 3.09Å
194	K	91.6	Very high	91.1	Very high	146 Å²	146	87.8 Å²	87.8	64%	0.635	48%	0.475	S	S	*	.	H	α-helix	trans	-61.9	-43.1	175.1	-68.5	178.4	-178.1	-178.7	0	112	Q190 A191 N192 V196 L197 V198	Q190-K194 PolarHBondContact O-N 2.82Å; Q190-K194 VanDerWaalsContact O-N 3.16Å; A191-K194 PolarHBondContact O-N 3.12Å; N192-K194 VanDerWaalsContact C-N 3.35Å; N192-K194 PolarHBondContact O-N 3.5Å; K194-V196 PolarHBondContact O-N 3.46Å; K194-L197 PolarHBondContact O-N 2.71Å; K194-V198 WeakPolarHBondContact O-CG2 3.48Å; K194-V198 PolarHBondContact O-N 3.36Å
195	S	91.2	Very high	91.4	Very high	64 Å²	64	88 Å²	88	45%	0.448	48%	0.479	S	S	.	.	H	α-helix	trans	-60.7	-43.9	177.2	-171.6	0	0	0	0	112	A191 N192 H193 L197 V198 S199	A191-S195 PolarHBondContact O-N 3.36Å; N192-S195 WeakPolarHBondContact O-CB 3.32Å; N192-S195 PolarHBondContact O-N 2.97Å; N192-S195 VanDerWaalsContact O-N 3.12Å; H193-S195 PolarHBondContact O-N 3.32Å; S195-L197 VanDerWaalsContact C-N 3.34Å; S195-L197 PolarHBondContact O-N 3.01Å; S195-V198 PolarHBondContact O-N 3.47Å; S195-S199 PolarHBondContact O-N 3.29Å; S195-S199 PolarHBondContact O-OG 3.08Å
196	V	89.4	Confident	91.9	Very high	50 Å²	50	89.5 Å²	89.5	30%	0.303	48%	0.483	S	S	.	.	H	α-helix	trans	-60.7	-44.8	176.9	170.2	0	0	0	0	110.4	N192 H193 K194 V198 S199 V200 I335	N192-V196 WeakPolarHBondContact O-CG2 3.49Å; N192-V196 PolarHBondContact O-N 2.89Å; H193-V196 PolarHBondContact O-N 3.05Å; K194-V196 PolarHBondContact O-N 3.46Å; V196-V198 VanDerWaalsContact C-N 3.33Å; V196-V198 PolarHBondContact O-N 2.9Å; V196-S199 PolarHBondContact O-N 3.36Å; V196-V200 HydrophobicContact CG1-CG2 4.16Å; V196-V200 WeakPolarHBondContact O-CB 3.45Å; V196-V200 VanDerWaalsContact O-CG2 3.27Å; V196-V200 WeakPolarHBondContact O-CG2 3.44Å; V196-V200 PolarHBondContact O-N 3.37Å; V196-I335 HydrophobicContact CG1-CG2 4.45Å
197	L	92	Very high	92.2	Very high	95 Å²	95	87.1 Å²	87.1	50%	0.497	48%	0.477	S	S	.	.	H	α-helix	trans	-59.5	-42.8	176.9	-71.1	177.3	0	0	0	112.4	H193 K194 S195 S201	H193-L197 VanDerWaalsContact CE1-CD1 3.5Å; H193-L197 WeakPolarHBondContact CE1-CD1 3.38Å; H193-L197 WeakPolarHBondContact O-CG 3.45Å; H193-L197 PolarHBondContact O-N 3.02Å; H193-L197 VanDerWaalsContact O-N 3.09Å; K194-L197 PolarHBondContact O-N 2.71Å; S195-L197 VanDerWaalsContact C-N 3.34Å; S195-L197 PolarHBondContact O-N 3.01Å; L197-S201 VanDerWaalsContact O-CB 3.3Å; L197-S201 WeakPolarHBondContact O-CB 3.29Å; L197-S201 PolarHBondContact O-N 2.94Å; L197-S201 VanDerWaalsContact O-N 3.09Å; L197-S201 PolarHBondContact O-OG 3.31Å
198	V	93.5	Very high	92.3	Very high	80 Å²	80	91.1 Å²	91.1	49%	0.485	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-53.6	177.5	173.9	0	0	0	0	110.6	K194 S195 V196 V200 S201 E202	K194-V198 WeakPolarHBondContact O-CG2 3.48Å; K194-V198 PolarHBondContact O-N 3.36Å; S195-V198 PolarHBondContact O-N 3.47Å; V196-V198 VanDerWaalsContact C-N 3.33Å; V196-V198 PolarHBondContact O-N 2.9Å; V198-V200 PolarHBondContact O-N 3.3Å; V198-S201 WeakPolarHBondContact O-CA 3.46Å; V198-S201 WeakPolarHBondContact O-CB 3.34Å; V198-S201 PolarHBondContact O-N 3.44Å; V198-E202 HydrophobicContact CG1-CG 4.42Å; V198-E202 WeakPolarHBondContact CG1-OE1 3.38Å; V198-E202 WeakPolarHBondContact O-CG 3.39Å; V198-E202 PolarHBondContact O-N 3.47Å
199	S	91	Very high	92.7	Very high	55 Å²	55	87.5 Å²	87.5	39%	0.385	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-40.2	-177.7	-60.1	0	0	0	0	112.9	S195 V196 S201 E202 V203	S195-S199 PolarHBondContact O-N 3.29Å; S195-S199 PolarHBondContact O-OG 3.08Å; V196-S199 PolarHBondContact O-N 3.36Å; S199-S201 VanDerWaalsContact C-N 3.32Å; S199-S201 PolarHBondContact O-N 3.29Å; S199-E202 PolarHBondContact O-N 2.86Å; S199-V203 WeakPolarHBondContact O-CG2 3.33Å; S199-V203 PolarHBondContact O-N 2.75Å; S199-V203 VanDerWaalsContact O-N 3.16Å
200	V	91.5	Very high	93	Very high	52 Å²	52	88.7 Å²	88.7	32%	0.315	48%	0.48	S	S	.	.	H	α-helix	trans	-65.4	-37.8	174.4	170.8	0	0	0	0	110.9	V196 V198 V203 K204	V196-V200 HydrophobicContact CG1-CG2 4.16Å; V196-V200 WeakPolarHBondContact O-CB 3.45Å; V196-V200 VanDerWaalsContact O-CG2 3.27Å; V196-V200 WeakPolarHBondContact O-CG2 3.44Å; V196-V200 PolarHBondContact O-N 3.37Å; V198-V200 PolarHBondContact O-N 3.3Å; V200-V203 PolarHBondContact O-N 2.86Å; V200-K204 HydrophobicContact CG1-CD 4.34Å; V200-K204 WeakPolarHBondContact O-CG 3.15Å; V200-K204 PolarHBondContact O-N 2.97Å
201	S	94.1	Very high	93.2	Very high	63 Å²	63	87.4 Å²	87.4	44%	0.441	47%	0.473	S	S	.	.	H	α-helix	trans	-67.8	-39.3	177.4	-58.8	0	0	0	0	112.1	L197 V198 S199 V203 K204 V205	L197-S201 VanDerWaalsContact O-CB 3.3Å; L197-S201 WeakPolarHBondContact O-CB 3.29Å; L197-S201 PolarHBondContact O-N 2.94Å; L197-S201 VanDerWaalsContact O-N 3.09Å; L197-S201 PolarHBondContact O-OG 3.31Å; V198-S201 WeakPolarHBondContact O-CA 3.46Å; V198-S201 WeakPolarHBondContact O-CB 3.34Å; V198-S201 PolarHBondContact O-N 3.44Å; S199-S201 VanDerWaalsContact C-N 3.32Å; S199-S201 PolarHBondContact O-N 3.29Å; S201-V203 PolarHBondContact O-N 3.33Å; S201-K204 WeakPolarHBondContact O-CB 3.48Å; S201-K204 PolarHBondContact O-N 3.13Å; S201-V205 WeakPolarHBondContact O-CG2 3.48Å; S201-V205 PolarHBondContact O-N 3.12Å
202	E	94.4	Very high	93.4	Very high	119 Å²	119	86.2 Å²	86.2	56%	0.556	47%	0.467	S	S	*	.	H	α-helix	trans	-58.2	-46.4	173.6	-70.9	169.8	174.5	0	0	111.4	V198 S199 K204 V205 V206	V198-E202 HydrophobicContact CG1-CG 4.42Å; V198-E202 WeakPolarHBondContact CG1-OE1 3.38Å; V198-E202 WeakPolarHBondContact O-CG 3.39Å; V198-E202 PolarHBondContact O-N 3.47Å; S199-E202 PolarHBondContact O-N 2.86Å; E202-K204 VanDerWaalsContact C-N 3.35Å; E202-K204 PolarHBondContact O-N 2.88Å; E202-V205 PolarHBondContact O-N 2.89Å; E202-V206 WeakPolarHBondContact O-CG2 3.41Å; E202-V206 PolarHBondContact O-N 2.82Å; E202-V206 VanDerWaalsContact O-N 3.13Å
203	V	93.5	Very high	93.8	Very high	102 Å²	102	88 Å²	88	62%	0.618	47%	0.474	S	S	*	.	H	α-helix	trans	-65.4	-37.5	176.8	176.8	0	0	0	0	111.7	S199 V200 S201 V206 A207	S199-V203 WeakPolarHBondContact O-CG2 3.33Å; S199-V203 PolarHBondContact O-N 2.75Å; S199-V203 VanDerWaalsContact O-N 3.16Å; V200-V203 PolarHBondContact O-N 2.86Å; S201-V203 PolarHBondContact O-N 3.33Å; V203-V206 PolarHBondContact O-N 2.81Å; V203-A207 PolarHBondContact O-N 3.03Å
204	K	95.3	Very high	94.1	Very high	124 Å²	124	84.9 Å²	84.9	54%	0.539	46%	0.46	S	S	.	.	H	α-helix	trans	-61	-43.4	174.3	-76.8	175.4	178.2	-179.1	0	112	V200 S201 E202 V206 A207 E208	V200-K204 HydrophobicContact CG1-CD 4.34Å; V200-K204 WeakPolarHBondContact O-CG 3.15Å; V200-K204 PolarHBondContact O-N 2.97Å; S201-K204 WeakPolarHBondContact O-CB 3.48Å; S201-K204 PolarHBondContact O-N 3.13Å; E202-K204 VanDerWaalsContact C-N 3.35Å; E202-K204 PolarHBondContact O-N 2.88Å; K204-V206 VanDerWaalsContact C-N 3.34Å; K204-V206 PolarHBondContact O-N 2.69Å; K204-A207 WeakPolarHBondContact O-CB 3.4Å; K204-A207 PolarHBondContact O-N 2.8Å; K204-E208 WeakPolarHBondContact O-CG 3.45Å; K204-E208 PolarHBondContact O-N 3.18Å
205	V	96.6	Very high	94.3	Very high	86 Å²	86	82.2 Å²	82.2	52%	0.521	45%	0.453	S	S	.	.	H	α-helix	trans	-60.9	-44	176.6	171.8	0	0	0	0	110.9	S201 E202 A207 E208 E209	S201-V205 WeakPolarHBondContact O-CG2 3.48Å; S201-V205 PolarHBondContact O-N 3.12Å; E202-V205 PolarHBondContact O-N 2.89Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 PolarHBondContact O-N 3.28Å; V205-E208 PolarHBondContact O-N 3.23Å; V205-E209 WeakPolarHBondContact O-CB 3.08Å; V205-E209 PolarHBondContact O-N 2.8Å
206	V	95.5	Very high	94.6	Very high	78 Å²	78	81.8 Å²	81.8	47%	0.473	45%	0.453	S	S	.	.	H	α-helix	trans	-61.8	-41.6	175.5	175.5	0	0	0	0	111.2	E202 V203 K204 E209 K210	E202-V206 WeakPolarHBondContact O-CG2 3.41Å; E202-V206 PolarHBondContact O-N 2.82Å; E202-V206 VanDerWaalsContact O-N 3.13Å; V203-V206 PolarHBondContact O-N 2.81Å; K204-V206 VanDerWaalsContact C-N 3.34Å; K204-V206 PolarHBondContact O-N 2.69Å; V206-E209 PolarHBondContact O-N 3.36Å; V206-K210 HydrophobicContact CG1-CG 4.44Å; V206-K210 WeakPolarHBondContact O-CB 3.29Å; V206-K210 VanDerWaalsContact O-CG 3.29Å; V206-K210 WeakPolarHBondContact O-CG 3.3Å; V206-K210 PolarHBondContact O-N 3.02Å
207	A	94.1	Very high	94.9	Very high	42 Å²	42	82.1 Å²	82.1	35%	0.347	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-47.4	175.9	0	0	0	0	0	111.3	V203 K204 V205 E209 K210 F211	V203-A207 PolarHBondContact O-N 3.03Å; K204-A207 WeakPolarHBondContact O-CB 3.4Å; K204-A207 PolarHBondContact O-N 2.8Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 PolarHBondContact O-N 3.28Å; A207-E209 PolarHBondContact O-N 2.96Å; A207-K210 PolarHBondContact O-N 3.07Å; A207-F211 WeakPolarHBondContact O-CD2 3.35Å; A207-F211 PolarHBondContact O-N 3.34Å
208	E	96.4	Very high	95	Very high	135 Å²	135	80.4 Å²	80.4	63%	0.631	45%	0.454	S	S	*	.	H	α-helix	trans	-59.6	-43.9	177	-73.7	174.4	177.8	0	0	112.2	K204 V205 F211 G212	K204-E208 WeakPolarHBondContact O-CG 3.45Å; K204-E208 PolarHBondContact O-N 3.18Å; V205-E208 PolarHBondContact O-N 3.23Å; E208-F211 PolarHBondContact O-N 3.21Å; E208-G212 PolarHBondContact O-N 2.74Å
209	E	97.1	Very high	95.2	Very high	110 Å²	110	84 Å²	84	51%	0.514	46%	0.459	S	S	.	.	H	α-helix	trans	-59.2	-48.7	175.5	-174.7	-176	-179.2	0	0	111.1	V205 V206 A207 G212 E213	V205-E209 WeakPolarHBondContact O-CB 3.08Å; V205-E209 PolarHBondContact O-N 2.8Å; V206-E209 PolarHBondContact O-N 3.36Å; A207-E209 PolarHBondContact O-N 2.96Å; E209-G212 WeakPolarHBondContact O-CA 3.41Å; E209-G212 PolarHBondContact O-N 3.18Å; E209-G212 VanDerWaalsContact O-N 3.12Å; E209-E213 PolarHBondContact O-N 3.47Å
210	K	95.6	Very high	95.5	Very high	103 Å²	103	88.1 Å²	88.1	45%	0.448	47%	0.47	S	S	.	.	H	α-helix	trans	-68.5	-38.4	-178.9	-66.8	-66.8	160.7	-145.3	0	113.2	V206 A207 G212 E213 L214	V206-K210 HydrophobicContact CG1-CG 4.44Å; V206-K210 WeakPolarHBondContact O-CB 3.29Å; V206-K210 VanDerWaalsContact O-CG 3.29Å; V206-K210 WeakPolarHBondContact O-CG 3.3Å; V206-K210 PolarHBondContact O-N 3.02Å; A207-K210 PolarHBondContact O-N 3.07Å; K210-G212 VanDerWaalsContact C-N 3.29Å; K210-E213 VanDerWaalsContact NZ-CD 3.27Å; K210-E213 IonicContact NZ-OE1 2.73Å; K210-E213 PolarHBondContact NZ-OE1 2.94Å; K210-E213 IonicContact NZ-OE2 4Å; K210-E213 PolarHBondContact NZ-OE2 2.98Å; K210-E213 PolarHBondContact O-N 3.21Å; K210-L214 WeakPolarHBondContact O-CB 3.13Å; K210-L214 PolarHBondContact O-N 3.44Å
211	F	95.2	Very high	95.6	Very high	95 Å²	95	88.1 Å²	88.1	42%	0.417	48%	0.475	S	S	.	.	H	α-helix	trans	-68.2	-31.1	171.2	-81.3	-72.2	0	0	0	111.7	A207 E208 L214 L215 Y320	A207-F211 WeakPolarHBondContact O-CD2 3.35Å; A207-F211 PolarHBondContact O-N 3.34Å; E208-F211 PolarHBondContact O-N 3.21Å; F211-L214 HydrophobicContact CD1-CD2 4.07Å; F211-L214 HydrophobicContact CE1-CD2 4.35Å; F211-L214 PolarHBondContact O-N 3.49Å; F211-L215 WeakPolarHBondContact O-CB 3.27Å; F211-L215 VanDerWaalsContact O-CG 3.28Å; F211-L215 WeakPolarHBondContact O-CG 3.01Å; F211-L215 PolarHBondContact O-N 3.42Å; F211-Y320 HydrophobicContact CZ-CD1 4.05Å; F211-Y320 HydrophobicContact CZ-CE1 4.25Å
212	G	96.5	Very high	95.7	Very high	37 Å²	37	91.1 Å²	91.1	38%	0.381	48%	0.483	S	S	.	.	H	α-helix	trans	-61.5	-49.7	170.7	0	0	0	0	0	112.9	E208 E209 K210 L214 L215 A216	E208-G212 PolarHBondContact O-N 2.74Å; E209-G212 WeakPolarHBondContact O-CA 3.41Å; E209-G212 PolarHBondContact O-N 3.18Å; E209-G212 VanDerWaalsContact O-N 3.12Å; K210-G212 VanDerWaalsContact C-N 3.29Å; G212-L214 VanDerWaalsContact C-N 3.32Å; G212-L214 PolarHBondContact O-N 3.16Å; G212-L215 PolarHBondContact O-N 3.29Å; G212-A216 PolarHBondContact O-N 2.97Å
213	E	96.3	Very high	95.9	Very high	98 Å²	98	88 Å²	88	46%	0.458	48%	0.477	S	S	.	.	H	α-helix	trans	-56.5	-45.4	173.6	-72.9	174	-156.6	0	0	111.5	E209 K210 A216 A217	E209-E213 PolarHBondContact O-N 3.47Å; K210-E213 VanDerWaalsContact NZ-CD 3.27Å; K210-E213 IonicContact NZ-OE1 2.73Å; K210-E213 PolarHBondContact NZ-OE1 2.94Å; K210-E213 IonicContact NZ-OE2 4Å; K210-E213 PolarHBondContact NZ-OE2 2.98Å; K210-E213 PolarHBondContact O-N 3.21Å; E213-A216 PolarHBondContact O-N 3.47Å; E213-A217 PolarHBondContact O-N 3.47Å
214	L	95.3	Very high	96	Very high	48 Å²	48	87.7 Å²	87.7	25%	0.251	47%	0.472	S	S	.	.	H	α-helix	trans	-61.4	-47.6	177.8	176.7	67	0	0	0	111.9	K210 F211 G212 A216 A217 V218 L317	K210-L214 WeakPolarHBondContact O-CB 3.13Å; K210-L214 PolarHBondContact O-N 3.44Å; F211-L214 HydrophobicContact CD1-CD2 4.07Å; F211-L214 HydrophobicContact CE1-CD2 4.35Å; F211-L214 PolarHBondContact O-N 3.49Å; G212-L214 VanDerWaalsContact C-N 3.32Å; G212-L214 PolarHBondContact O-N 3.16Å; L214-A216 VanDerWaalsContact C-N 3.3Å; L214-A216 PolarHBondContact O-N 3.21Å; L214-A217 PolarHBondContact O-N 2.89Å; L214-V218 HydrophobicContact CD1-CG2 4.41Å; L214-V218 WeakPolarHBondContact O-CG2 3.36Å; L214-V218 PolarHBondContact O-N 2.93Å; L214-L317 HydrophobicContact CD2-CD1 4.24Å; L214-L317 HydrophobicContact CD2-CD2 3.38Å; L214-L317 HydrophobicContact CD2-CG 4.45Å
215	L	95.7	Very high	96	Very high	91 Å²	91	84.5 Å²	84.5	48%	0.476	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-37.7	178	-73.4	171.6	0	0	0	111.7	F211 G212 V218 R219	F211-L215 WeakPolarHBondContact O-CB 3.27Å; F211-L215 VanDerWaalsContact O-CG 3.28Å; F211-L215 WeakPolarHBondContact O-CG 3.01Å; F211-L215 PolarHBondContact O-N 3.42Å; G212-L215 PolarHBondContact O-N 3.29Å; L215-V218 PolarHBondContact O-N 2.79Å; L215-R219 WeakPolarHBondContact O-CB 3.44Å; L215-R219 VanDerWaalsContact O-CG 3.32Å; L215-R219 WeakPolarHBondContact O-CG 3.31Å; L215-R219 PolarHBondContact O-N 3.1Å
216	A	97.2	Very high	96	Very high	55 Å²	55	85 Å²	85	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-64	-43.2	174.4	0	0	0	0	0	111.7	G212 E213 L214 R219 K220	G212-A216 PolarHBondContact O-N 2.97Å; E213-A216 PolarHBondContact O-N 3.47Å; L214-A216 VanDerWaalsContact C-N 3.3Å; L214-A216 PolarHBondContact O-N 3.21Å; A216-R219 PolarHBondContact O-N 3.2Å; A216-K220 WeakPolarHBondContact O-CB 3.13Å; A216-K220 PolarHBondContact O-N 2.77Å
217	A	95.6	Very high	96.1	Very high	57 Å²	57	84.7 Å²	84.7	47%	0.471	46%	0.459	S	S	.	.	H	α-helix	trans	-63	-42.7	175.7	0	0	0	0	0	112.2	E213 L214 K220 A221	E213-A217 PolarHBondContact O-N 3.47Å; L214-A217 PolarHBondContact O-N 2.89Å; A217-K220 PolarHBondContact O-N 3.2Å; A217-A221 WeakPolarHBondContact O-CB 3.27Å; A217-A221 PolarHBondContact O-N 3.26Å
218	V	95.4	Very high	96.1	Very high	59 Å²	59	86.9 Å²	86.9	36%	0.358	46%	0.46	S	S	.	.	H	α-helix	trans	-62.7	-45.3	176	171	0	0	0	0	111.3	L214 L215 K220 A221 Q222 L313	L214-V218 HydrophobicContact CD1-CG2 4.41Å; L214-V218 WeakPolarHBondContact O-CG2 3.36Å; L214-V218 PolarHBondContact O-N 2.93Å; L215-V218 PolarHBondContact O-N 2.79Å; V218-K220 PolarHBondContact O-N 3.16Å; V218-A221 PolarHBondContact O-N 3.5Å; V218-Q222 WeakPolarHBondContact O-CB 3.31Å; V218-Q222 PolarHBondContact O-N 3.27Å; V218-L313 HydrophobicContact CG2-CD2 3.92Å
219	R	96.8	Very high	96	Very high	156 Å²	156	83.1 Å²	83.1	59%	0.589	44%	0.444	S	S	*	.	H	α-helix	trans	-61.9	-42.3	176.4	-74.3	-179.3	-171.7	110.6	-1.7	112.1	L215 A216 Q222 A223	L215-R219 WeakPolarHBondContact O-CB 3.44Å; L215-R219 VanDerWaalsContact O-CG 3.32Å; L215-R219 WeakPolarHBondContact O-CG 3.31Å; L215-R219 PolarHBondContact O-N 3.1Å; A216-R219 PolarHBondContact O-N 3.2Å; R219-Q222 WeakPolarHBondContact O-CB 3.2Å; R219-Q222 PolarHBondContact O-N 2.88Å; R219-A223 PolarHBondContact O-N 3.29Å
220	K	96.9	Very high	95.9	Very high	140 Å²	140	83.3 Å²	83.3	61%	0.609	45%	0.445	S	S	*	.	H	α-helix	trans	-61.8	-49.2	176	-176.2	-179.4	177.2	-177.9	0	111.1	A216 A217 V218 Q222 A223 D224	A216-K220 WeakPolarHBondContact O-CB 3.13Å; A216-K220 PolarHBondContact O-N 2.77Å; A217-K220 PolarHBondContact O-N 3.2Å; V218-K220 PolarHBondContact O-N 3.16Å; K220-Q222 VanDerWaalsContact C-N 3.28Å; K220-Q222 PolarHBondContact O-N 2.87Å; K220-A223 WeakPolarHBondContact O-CB 3.09Å; K220-A223 PolarHBondContact O-N 3.03Å; K220-A223 VanDerWaalsContact O-N 3.12Å; K220-D224 VanDerWaalsContact O-CG 3.31Å; K220-D224 PolarHBondContact O-N 3.11Å
221	A	95.1	Very high	95.8	Very high	52 Å²	52	84 Å²	84	43%	0.43	45%	0.45	S	S	.	.	H	α-helix	trans	-59.8	-39.4	177.5	0	0	0	0	0	112.1	A217 V218 D224 V225	A217-A221 WeakPolarHBondContact O-CB 3.27Å; A217-A221 PolarHBondContact O-N 3.26Å; V218-A221 PolarHBondContact O-N 3.5Å; A221-D224 PolarHBondContact O-N 3.07Å; A221-V225 VanDerWaalsContact O-CG2 3.28Å; A221-V225 WeakPolarHBondContact O-CG2 3.21Å; A221-V225 PolarHBondContact O-N 3.21Å
222	Q	95.9	Very high	95.5	Very high	127 Å²	127	84.6 Å²	84.6	59%	0.593	45%	0.453	S	S	*	.	H	α-helix	trans	-60.4	-48.7	173.4	-176.1	-177.1	15.7	0	0	111.2	V218 R219 K220 D224 V225 M226	V218-Q222 WeakPolarHBondContact O-CB 3.31Å; V218-Q222 PolarHBondContact O-N 3.27Å; R219-Q222 WeakPolarHBondContact O-CB 3.2Å; R219-Q222 PolarHBondContact O-N 2.88Å; K220-Q222 VanDerWaalsContact C-N 3.28Å; K220-Q222 PolarHBondContact O-N 2.87Å; Q222-D224 PolarHBondContact O-N 3.25Å; Q222-V225 PolarHBondContact O-N 3.18Å; Q222-M226 VanDerWaalsContact O-CG 3.3Å; Q222-M226 WeakPolarHBondContact O-CG 3.4Å; Q222-M226 PolarHBondContact O-N 3.27Å
223	A	97.3	Very high	95.3	Very high	52 Å²	52	88.6 Å²	88.6	43%	0.43	46%	0.461	S	S	.	.	H	α-helix	trans	-59.9	-45.1	177.9	0	0	0	0	0	112	R219 K220 V225 M226 V227	R219-A223 PolarHBondContact O-N 3.29Å; K220-A223 WeakPolarHBondContact O-CB 3.09Å; K220-A223 PolarHBondContact O-N 3.03Å; K220-A223 VanDerWaalsContact O-N 3.12Å; A223-V225 VanDerWaalsContact C-N 3.33Å; A223-V225 PolarHBondContact O-N 3.26Å; A223-M226 PolarHBondContact O-N 2.83Å; A223-V227 WeakPolarHBondContact O-CG2 3.41Å; A223-V227 PolarHBondContact O-N 3.01Å
224	D	96.4	Very high	95.1	Very high	96 Å²	96	88.8 Å²	88.8	51%	0.513	46%	0.462	S	S	.	.	H	α-helix	trans	-60.7	-41.4	178.1	-67	-18.7	0	0	0	111.6	K220 A221 Q222 F228	K220-D224 VanDerWaalsContact O-CG 3.31Å; K220-D224 PolarHBondContact O-N 3.11Å; A221-D224 PolarHBondContact O-N 3.07Å; Q222-D224 PolarHBondContact O-N 3.25Å; D224-F228 WeakPolarHBondContact O-CB 3.17Å; D224-F228 PolarHBondContact O-N 3.01Å
225	V	95.6	Very high	94.7	Very high	58 Å²	58	89.2 Å²	89.2	35%	0.352	47%	0.472	S	S	.	.	H	α-helix	trans	-65.6	-39.9	175.6	170.3	0	0	0	0	111.6	A221 Q222 A223 F228 L229 I306	A221-V225 VanDerWaalsContact O-CG2 3.28Å; A221-V225 WeakPolarHBondContact O-CG2 3.21Å; A221-V225 PolarHBondContact O-N 3.21Å; Q222-V225 PolarHBondContact O-N 3.18Å; A223-V225 VanDerWaalsContact C-N 3.33Å; A223-V225 PolarHBondContact O-N 3.26Å; V225-F228 PolarHBondContact O-N 2.98Å; V225-L229 HydrophobicContact CG1-CD1 4.32Å; V225-L229 WeakPolarHBondContact O-CG 3.27Å; V225-L229 PolarHBondContact O-N 3.04Å; V225-I306 HydrophobicContact CG1-CD1 3.9Å; V225-I306 HydrophobicContact CG1-CG1 4.28Å
226	M	96.6	Very high	94.2	Very high	95 Å²	95	86.4 Å²	86.4	47%	0.468	46%	0.462	S	S	.	.	H	α-helix	trans	-65.1	-46.4	177.5	-67.6	-55.2	-62.8	0	0	111.6	Q222 A223 F228 L229 E230	Q222-M226 VanDerWaalsContact O-CG 3.3Å; Q222-M226 WeakPolarHBondContact O-CG 3.4Å; Q222-M226 PolarHBondContact O-N 3.27Å; A223-M226 PolarHBondContact O-N 2.83Å; M226-F228 VanDerWaalsContact C-N 3.31Å; M226-F228 PolarHBondContact O-N 2.65Å; M226-L229 PolarHBondContact O-N 2.86Å; M226-L229 VanDerWaalsContact O-N 3.11Å; M226-L229 HydrophobicContact SD-CD1 4.48Å; M226-E230 WeakPolarHBondContact O-CG 3.46Å; M226-E230 PolarHBondContact O-N 3.22Å
227	V	96.9	Very high	93.9	Very high	73 Å²	73	87.4 Å²	87.4	44%	0.442	46%	0.46	S	S	.	.	H	α-helix	trans	-59.1	-43.5	175.1	172.3	0	0	0	0	110.8	A223 L229 E230 E231	A223-V227 WeakPolarHBondContact O-CG2 3.41Å; A223-V227 PolarHBondContact O-N 3.01Å; V227-L229 VanDerWaalsContact C-N 3.31Å; V227-L229 PolarHBondContact O-N 2.85Å; V227-E230 PolarHBondContact O-N 2.85Å; V227-E231 HydrophobicContact CG1-CG 4.44Å; V227-E231 WeakPolarHBondContact O-CG 3.21Å; V227-E231 PolarHBondContact O-N 2.88Å
228	F	95.3	Very high	93.3	Very high	87 Å²	87	88.8 Å²	88.8	38%	0.382	46%	0.459	S	S	.	.	H	α-helix	trans	-57.8	-42.9	175.4	174.6	-91	0	0	0	112.2	D224 V225 M226 K232 I302	D224-F228 WeakPolarHBondContact O-CB 3.17Å; D224-F228 PolarHBondContact O-N 3.01Å; V225-F228 PolarHBondContact O-N 2.98Å; M226-F228 VanDerWaalsContact C-N 3.31Å; M226-F228 PolarHBondContact O-N 2.65Å; F228-K232 HydrophobicContact CD1-CG 4.37Å; F228-K232 HydrophobicContact CE1-CG 3.98Å; F228-K232 HydrophobicContact CE2-CG 4.46Å; F228-K232 HydrophobicContact CZ-CD 4.42Å; F228-K232 VanDerWaalsContact CZ-CE 3.49Å; F228-K232 HydrophobicContact CZ-CG 4.04Å; F228-K232 WeakPolarHBondContact O-CG 3.44Å; F228-K232 PolarHBondContact O-N 3.31Å; F228-K232 VanDerWaalsContact O-N 3.12Å; F228-I302 HydrophobicContact CE1-CD1 4.17Å
229	L	93.8	Very high	92.8	Very high	56 Å²	56	92.1 Å²	92.1	29%	0.293	47%	0.471	S	S	.	.	H	α-helix	trans	-65.7	-42.8	178.1	-70.1	173.2	0	0	0	111.7	V225 M226 V227 K232 E233 I302	V225-L229 HydrophobicContact CG1-CD1 4.32Å; V225-L229 WeakPolarHBondContact O-CG 3.27Å; V225-L229 PolarHBondContact O-N 3.04Å; M226-L229 PolarHBondContact O-N 2.86Å; M226-L229 VanDerWaalsContact O-N 3.11Å; M226-L229 HydrophobicContact SD-CD1 4.48Å; V227-L229 VanDerWaalsContact C-N 3.31Å; V227-L229 PolarHBondContact O-N 2.85Å; L229-K232 PolarHBondContact O-N 3.17Å; L229-E233 WeakPolarHBondContact O-CB 3.34Å; L229-E233 PolarHBondContact O-N 3.11Å; L229-I302 HydrophobicContact CD2-CG2 3.94Å
230	E	95.5	Very high	92.1	Very high	115 Å²	115	88.9 Å²	88.9	54%	0.537	47%	0.468	S	S	.	.	H	α-helix	trans	-61.3	-43.5	176.4	-71.4	172.8	-175.6	0	0	111.8	M226 V227 K232 E233 Q234	M226-E230 WeakPolarHBondContact O-CG 3.46Å; M226-E230 PolarHBondContact O-N 3.22Å; V227-E230 PolarHBondContact O-N 2.85Å; E230-K232 PolarHBondContact O-N 2.8Å; E230-E233 PolarHBondContact O-N 2.87Å; E230-Q234 WeakPolarHBondContact O-CB 3.43Å; E230-Q234 PolarHBondContact O-N 3.41Å
231	E	92.3	Very high	91.7	Very high	117 Å²	117	86.2 Å²	86.2	55%	0.547	46%	0.461	S	S	.	.	H	α-helix	trans	-61.6	-42.6	175.5	-73.6	179.9	171.6	0	0	112.1	V227 A235	V227-E231 HydrophobicContact CG1-CG 4.44Å; V227-E231 WeakPolarHBondContact O-CG 3.21Å; V227-E231 PolarHBondContact O-N 2.88Å; E231-A235 VanDerWaalsContact O-CB 3.29Å; E231-A235 WeakPolarHBondContact O-CB 3.47Å; E231-A235 PolarHBondContact O-N 2.83Å
232	K	89.9	Confident	90.9	Very high	108 Å²	108	87.6 Å²	87.6	47%	0.47	47%	0.467	S	S	.	.	H	α-helix	trans	-68.8	-37.7	177.4	-65.7	-45.3	174.4	-158.9	0	112.1	F228 L229 E230 A236	F228-K232 HydrophobicContact CD1-CG 4.37Å; F228-K232 HydrophobicContact CE1-CG 3.98Å; F228-K232 HydrophobicContact CE2-CG 4.46Å; F228-K232 HydrophobicContact CZ-CD 4.42Å; F228-K232 VanDerWaalsContact CZ-CE 3.49Å; F228-K232 HydrophobicContact CZ-CG 4.04Å; F228-K232 WeakPolarHBondContact O-CG 3.44Å; F228-K232 PolarHBondContact O-N 3.31Å; F228-K232 VanDerWaalsContact O-N 3.12Å; L229-K232 PolarHBondContact O-N 3.17Å; E230-K232 PolarHBondContact O-N 2.8Å; K232-A236 WeakPolarHBondContact O-CB 3.33Å; K232-A236 PolarHBondContact O-N 2.81Å
233	E	91	Very high	90.4	Very high	120 Å²	120	85 Å²	85	56%	0.561	46%	0.457	S	S	*	.	H	α-helix	trans	-60.4	-53.9	173.3	179.6	179.1	177.5	0	0	110.6	L229 E230 A235 A236 L237	L229-E233 WeakPolarHBondContact O-CB 3.34Å; L229-E233 PolarHBondContact O-N 3.11Å; E230-E233 PolarHBondContact O-N 2.87Å; E233-A235 VanDerWaalsContact C-N 3.33Å; E233-A235 PolarHBondContact O-N 2.83Å; E233-A236 PolarHBondContact O-N 3.2Å; E233-A236 VanDerWaalsContact O-N 3.12Å; E233-L237 HydrophobicContact CG-CD1 3.96Å; E233-L237 HydrophobicContact CG-CG 4.4Å; E233-L237 WeakPolarHBondContact O-CG 3.3Å; E233-L237 PolarHBondContact O-N 3.09Å
234	Q	91.9	Very high	90	Very high	102 Å²	102	87.7 Å²	87.7	48%	0.477	46%	0.459	S	S	.	.	H	α-helix	trans	-61.7	-40.6	-178.8	-171.5	61.2	47	0	0	112	E230 L237 N238	E230-Q234 WeakPolarHBondContact O-CB 3.43Å; E230-Q234 PolarHBondContact O-N 3.41Å; Q234-L237 PolarHBondContact O-N 3.18Å; Q234-N238 PolarHBondContact NE2-OD1 3.02Å; Q234-N238 WeakPolarHBondContact O-CB 3.48Å; Q234-N238 PolarHBondContact O-N 3.42Å; Q234-N238 PolarHBondContact O-ND2 3.29Å
235	A	87	Confident	89.6	Confident	57 Å²	57	87.3 Å²	87.3	47%	0.471	46%	0.46	S	S	.	.	H	α-helix	trans	-62.1	-42.7	175.2	0	0	0	0	0	112.1	E231 E233 Q239	E231-A235 VanDerWaalsContact O-CB 3.29Å; E231-A235 WeakPolarHBondContact O-CB 3.47Å; E231-A235 PolarHBondContact O-N 2.83Å; E233-A235 VanDerWaalsContact C-N 3.33Å; E233-A235 PolarHBondContact O-N 2.83Å; A235-Q239 WeakPolarHBondContact O-CB 3.4Å; A235-Q239 PolarHBondContact O-N 3.07Å
236	A	86.1	Confident	89.1	Confident	32 Å²	32	89.6 Å²	89.6	26%	0.264	47%	0.467	S	S	.	.	H	α-helix	trans	-65.8	-42.9	176.6	0	0	0	0	0	111.9	K232 E233 Q239 V240	K232-A236 WeakPolarHBondContact O-CB 3.33Å; K232-A236 PolarHBondContact O-N 2.81Å; E233-A236 PolarHBondContact O-N 3.2Å; E233-A236 VanDerWaalsContact O-N 3.12Å; A236-Q239 WeakPolarHBondContact O-CB 3.19Å; A236-Q239 PolarHBondContact O-N 2.99Å; A236-V240 WeakPolarHBondContact O-CG2 3.38Å; A236-V240 PolarHBondContact O-N 3.33Å
237	L	89.7	Confident	88.7	Confident	76 Å²	76	87.5 Å²	87.5	40%	0.398	46%	0.457	S	S	.	.	H	α-helix	trans	-64.6	-42.8	176.8	-70.8	175.6	0	0	0	112.1	E233 Q234 Q239 V240 N241	E233-L237 HydrophobicContact CG-CD1 3.96Å; E233-L237 HydrophobicContact CG-CG 4.4Å; E233-L237 WeakPolarHBondContact O-CG 3.3Å; E233-L237 PolarHBondContact O-N 3.09Å; Q234-L237 PolarHBondContact O-N 3.18Å; L237-Q239 VanDerWaalsContact C-N 3.31Å; L237-Q239 PolarHBondContact O-N 3.09Å; L237-V240 PolarHBondContact O-N 3.36Å; L237-N241 WeakPolarHBondContact O-CB 3.28Å; L237-N241 PolarHBondContact O-N 2.91Å; L237-N241 PolarHBondContact O-ND2 3.44Å
238	N	84.9	Confident	88.4	Confident	86 Å²	86	88.5 Å²	88.5	46%	0.46	46%	0.457	S	S	.	.	H	α-helix	trans	-60.2	-42.1	174.8	-73.2	-14.3	0	0	0	111.4	Q234 N241 S242	Q234-N238 PolarHBondContact NE2-OD1 3.02Å; Q234-N238 WeakPolarHBondContact O-CB 3.48Å; Q234-N238 PolarHBondContact O-N 3.42Å; Q234-N238 PolarHBondContact O-ND2 3.29Å; N238-N241 PolarHBondContact O-N 2.67Å; N238-S242 WeakPolarHBondContact O-CB 3.39Å; N238-S242 PolarHBondContact O-N 3.15Å
239	Q	83.7	Confident	88.1	Confident	129 Å²	129	89.5 Å²	89.5	60%	0.603	46%	0.462	S	S	*	.	H	α-helix	trans	-62.8	-45.8	175.7	-173.4	178.1	14.4	0	0	111.6	A235 A236 L237 N241 S242 I243	A235-Q239 WeakPolarHBondContact O-CB 3.4Å; A235-Q239 PolarHBondContact O-N 3.07Å; A236-Q239 WeakPolarHBondContact O-CB 3.19Å; A236-Q239 PolarHBondContact O-N 2.99Å; L237-Q239 VanDerWaalsContact C-N 3.31Å; L237-Q239 PolarHBondContact O-N 3.09Å; Q239-N241 PolarHBondContact O-N 3.42Å; Q239-S242 PolarHBondContact O-N 2.9Å; Q239-I243 HydrophobicContact CG-CD1 3.98Å; Q239-I243 VanDerWaalsContact O-CG1 3.29Å; Q239-I243 WeakPolarHBondContact O-CG1 3.28Å; Q239-I243 PolarHBondContact O-N 3.38Å
240	V	83.4	Confident	87.7	Confident	88 Å²	88	90.5 Å²	90.5	53%	0.533	46%	0.462	S	S	.	.	H	α-helix	trans	-59.3	-46.4	176.2	168.8	0	0	0	0	111	A236 L237 I243 K244	A236-V240 WeakPolarHBondContact O-CG2 3.38Å; A236-V240 PolarHBondContact O-N 3.33Å; L237-V240 PolarHBondContact O-N 3.36Å; V240-I243 PolarHBondContact O-N 2.95Å; V240-K244 VanDerWaalsContact O-CB 3.31Å; V240-K244 WeakPolarHBondContact O-CB 3.36Å; V240-K244 PolarHBondContact O-N 2.77Å
241	N	88.1	Confident	87.3	Confident	84 Å²	84	88.6 Å²	88.6	45%	0.449	46%	0.462	S	S	.	.	H	α-helix	trans	-64.1	-42.5	179.4	-74.6	-30.4	0	0	0	112	L237 N238 Q239 K244 T245	L237-N241 WeakPolarHBondContact O-CB 3.28Å; L237-N241 PolarHBondContact O-N 2.91Å; L237-N241 PolarHBondContact O-ND2 3.44Å; N238-N241 PolarHBondContact O-N 2.67Å; Q239-N241 PolarHBondContact O-N 3.42Å; N241-K244 PolarHBondContact O-N 3.11Å; N241-T245 PolarHBondContact O-N 3.08Å; N241-T245 PolarHBondContact O-OG1 3.18Å; N241-T245 VanDerWaalsContact O-OG1 3.07Å
242	S	78.1	Confident	87.2	Confident	82 Å²	82	88.3 Å²	88.3	57%	0.573	46%	0.463	S	S	*	.	H	α-helix	trans	-61.5	-44.8	176.1	-179.8	0	0	0	0	112.1	N238 Q239 H246	N238-S242 WeakPolarHBondContact O-CB 3.39Å; N238-S242 PolarHBondContact O-N 3.15Å; Q239-S242 PolarHBondContact O-N 2.9Å; S242-H246 WeakPolarHBondContact O-CB 3.42Å; S242-H246 PolarHBondContact O-N 2.71Å
243	I	84.7	Confident	87.1	Confident	71 Å²	71	86.9 Å²	86.9	36%	0.364	46%	0.458	S	S	.	.	H	α-helix	trans	-62.8	-45	175.3	-67	167.1	0	0	0	110.3	Q239 V240 H246 L247	Q239-I243 HydrophobicContact CG-CD1 3.98Å; Q239-I243 VanDerWaalsContact O-CG1 3.29Å; Q239-I243 WeakPolarHBondContact O-CG1 3.28Å; Q239-I243 PolarHBondContact O-N 3.38Å; V240-I243 PolarHBondContact O-N 2.95Å; I243-H246 PolarHBondContact O-N 2.72Å; I243-L247 HydrophobicContact CG2-CD1 3.79Å; I243-L247 HydrophobicContact CG2-CG 4.34Å; I243-L247 VanDerWaalsContact O-CG 3.3Å; I243-L247 WeakPolarHBondContact O-CG 3.24Å; I243-L247 PolarHBondContact O-N 2.83Å
244	K	88.3	Confident	86.9	Confident	110 Å²	110	87 Å²	87	48%	0.478	46%	0.46	S	S	.	.	H	α-helix	trans	-57.7	-52.6	177.4	177	-175.7	167.2	-175	0	111.4	V240 N241 H246 L247 E248	V240-K244 VanDerWaalsContact O-CB 3.31Å; V240-K244 WeakPolarHBondContact O-CB 3.36Å; V240-K244 PolarHBondContact O-N 2.77Å; N241-K244 PolarHBondContact O-N 3.11Å; K244-H246 VanDerWaalsContact C-N 3.28Å; K244-H246 PolarHBondContact O-N 2.92Å; K244-L247 PolarHBondContact O-N 3.28Å; K244-L247 VanDerWaalsContact O-N 3.12Å; K244-E248 WeakPolarHBondContact CE-OE1 3.42Å; K244-E248 HydrophobicContact CG-CG 4.34Å; K244-E248 IonicContact NZ-OE1 3.15Å; K244-E248 WeakPolarHBondContact O-CG 3.46Å; K244-E248 PolarHBondContact O-N 2.9Å
245	T	89.7	Confident	86.8	Confident	88 Å²	88	85.9 Å²	85.9	54%	0.54	46%	0.455	S	S	.	.	H	α-helix	trans	-59.5	-38.8	179.3	-59.3	0	0	0	0	111.9	N241 H249	N241-T245 PolarHBondContact O-N 3.08Å; N241-T245 PolarHBondContact O-OG1 3.18Å; N241-T245 VanDerWaalsContact O-OG1 3.07Å; T245-H249 WeakPolarHBondContact O-CB 3.23Å; T245-H249 PolarHBondContact O-N 3.01Å
246	H	84.6	Confident	86.9	Confident	106 Å²	106	88.8 Å²	88.8	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-64.4	-43.4	175.3	-179.7	72.2	0	0	0	112.4	S242 I243 K244 H249 R250	S242-H246 WeakPolarHBondContact O-CB 3.42Å; S242-H246 PolarHBondContact O-N 2.71Å; I243-H246 PolarHBondContact O-N 2.72Å; K244-H246 VanDerWaalsContact C-N 3.28Å; K244-H246 PolarHBondContact O-N 2.92Å; H246-H249 PolarHBondContact O-N 2.83Å; H246-R250 WeakPolarHBondContact NE2-CD 3.5Å; H246-R250 PolarHBondContact O-N 2.71Å
247	L	87.4	Confident	86.8	Confident	51 Å²	51	90.5 Å²	90.5	27%	0.267	47%	0.467	S	S	.	.	H	α-helix	trans	-68.8	-38.7	178	-67.8	170.9	0	0	0	112.3	I243 K244 R250 S251 P289 I291	I243-L247 HydrophobicContact CG2-CD1 3.79Å; I243-L247 HydrophobicContact CG2-CG 4.34Å; I243-L247 VanDerWaalsContact O-CG 3.3Å; I243-L247 WeakPolarHBondContact O-CG 3.24Å; I243-L247 PolarHBondContact O-N 2.83Å; K244-L247 PolarHBondContact O-N 3.28Å; K244-L247 VanDerWaalsContact O-N 3.12Å; L247-R250 PolarHBondContact O-N 2.92Å; L247-S251 WeakPolarHBondContact O-CB 3.41Å; L247-S251 PolarHBondContact O-N 3.26Å; L247-P289 HydrophobicContact CD2-CB 4.38Å; L247-P289 HydrophobicContact CD2-CG 3.51Å; L247-I291 HydrophobicContact CD1-CD1 3.42Å; L247-I291 VanDerWaalsContact CD1-CD1 3.42Å; L247-I291 HydrophobicContact CD1-CG1 4.44Å
248	E	91.6	Very high	86.7	Confident	93 Å²	93	91.3 Å²	91.3	44%	0.435	47%	0.467	S	S	.	.	H	α-helix	trans	-61.1	-44.2	173.2	-74	172.5	156.4	0	0	111.1	K244 S251 L252	K244-E248 WeakPolarHBondContact CE-OE1 3.42Å; K244-E248 HydrophobicContact CG-CG 4.34Å; K244-E248 IonicContact NZ-OE1 3.15Å; K244-E248 WeakPolarHBondContact O-CG 3.46Å; K244-E248 PolarHBondContact O-N 2.9Å; E248-S251 WeakPolarHBondContact O-CB 3.48Å; E248-S251 PolarHBondContact O-N 2.77Å; E248-L252 WeakPolarHBondContact O-CG 3.38Å; E248-L252 PolarHBondContact O-N 2.88Å
249	H	88.3	Confident	87	Confident	108 Å²	108	92.4 Å²	92.4	50%	0.5	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-46.7	174.9	-179.2	63.1	0	0	0	112.2	T245 H246 S251 L252 E253	T245-H249 WeakPolarHBondContact O-CB 3.23Å; T245-H249 PolarHBondContact O-N 3.01Å; H246-H249 PolarHBondContact O-N 2.83Å; H249-S251 VanDerWaalsContact C-N 3.3Å; H249-S251 PolarHBondContact O-N 2.79Å; H249-L252 PolarHBondContact O-N 3.4Å; H249-E253 PolarHBondContact O-N 2.93Å
250	R	85.5	Confident	87.1	Confident	78 Å²	78	89.5 Å²	89.5	29%	0.294	46%	0.456	S	S	.	.	H	α-helix	trans	-61.4	-38.7	174.8	-74.8	-169.8	77.9	174.1	1.3	111.9	H246 L247 L252 E253 M254 A287	H246-R250 WeakPolarHBondContact NE2-CD 3.5Å; H246-R250 PolarHBondContact O-N 2.71Å; L247-R250 PolarHBondContact O-N 2.92Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-L252 PolarHBondContact O-N 2.98Å; R250-E253 PolarHBondContact O-N 3.23Å; R250-M254 WeakPolarHBondContact O-CB 3.37Å; R250-M254 WeakPolarHBondContact O-CG 3.49Å; R250-M254 PolarHBondContact O-N 3.32Å; R250-A287 PolarHBondContact NH2-O 2.91Å
251	S	87.1	Confident	87.2	Confident	74 Å²	74	90 Å²	90	52%	0.517	46%	0.455	S	S	.	.	H	α-helix	trans	-61.4	-41	175.8	-169.2	0	0	0	0	111.7	L247 E248 H249 M254 E255	L247-S251 WeakPolarHBondContact O-CB 3.41Å; L247-S251 PolarHBondContact O-N 3.26Å; E248-S251 WeakPolarHBondContact O-CB 3.48Å; E248-S251 PolarHBondContact O-N 2.77Å; H249-S251 VanDerWaalsContact C-N 3.3Å; H249-S251 PolarHBondContact O-N 2.79Å; S251-M254 PolarHBondContact O-N 2.82Å; S251-E255 WeakPolarHBondContact O-CB 3.28Å; S251-E255 PolarHBondContact O-N 2.82Å
252	L	91.3	Very high	87.3	Confident	112 Å²	112	91.1 Å²	91.1	59%	0.586	46%	0.458	S	S	*	.	H	α-helix	trans	-65.4	-43.2	175.9	-72.9	167.3	0	0	0	112.1	E248 H249 R250 E255 K256	E248-L252 WeakPolarHBondContact O-CG 3.38Å; E248-L252 PolarHBondContact O-N 2.88Å; H249-L252 PolarHBondContact O-N 3.4Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-L252 PolarHBondContact O-N 2.98Å; L252-E255 PolarHBondContact O-N 2.89Å; L252-K256 WeakPolarHBondContact O-CG 3.39Å; L252-K256 PolarHBondContact O-N 2.81Å
253	E	87.5	Confident	87.8	Confident	78 Å²	78	92.2 Å²	92.2	36%	0.364	45%	0.45	S	S	.	.	H	α-helix	trans	-65.5	-38.4	176.3	-68.3	-60.4	117.5	0	0	112.2	H249 R250 K256 S257	H249-E253 PolarHBondContact O-N 2.93Å; R250-E253 PolarHBondContact O-N 3.23Å; E253-K256 PolarHBondContact O-N 3Å; E253-K256 IonicContact OE1-NZ 3.76Å; E253-K256 PolarHBondContact OE1-NZ 3.18Å; E253-S257 WeakPolarHBondContact O-CB 3.36Å; E253-S257 PolarHBondContact O-N 2.83Å; E253-S257 PolarHBondContact O-OG 2.73Å
254	M	85.5	Confident	87.9	Confident	122 Å²	122	89 Å²	89	60%	0.601	43%	0.433	S	S	*	.	H	α-helix	trans	-66.9	-39.2	174.1	-71.3	178	79.3	0	0	111.9	R250 S251 S257 K258	R250-M254 WeakPolarHBondContact O-CB 3.37Å; R250-M254 WeakPolarHBondContact O-CG 3.49Å; R250-M254 PolarHBondContact O-N 3.32Å; S251-M254 PolarHBondContact O-N 2.82Å; M254-S257 PolarHBondContact O-N 2.89Å; M254-K258 WeakPolarHBondContact O-CB 3.17Å; M254-K258 PolarHBondContact O-N 2.85Å
255	E	90	Very high	87.8	Confident	78 Å²	78	87.7 Å²	87.7	36%	0.364	44%	0.443	S	S	.	.	H	α-helix	trans	-66.1	-40.2	176	-167.8	64	-148.2	0	0	111.6	S251 L252 S257 K258 Q259	S251-E255 WeakPolarHBondContact O-CB 3.28Å; S251-E255 PolarHBondContact O-N 2.82Å; L252-E255 PolarHBondContact O-N 2.89Å; E255-S257 VanDerWaalsContact C-N 3.34Å; E255-S257 PolarHBondContact O-N 3.32Å; E255-K258 WeakPolarHBondContact O-CB 3.32Å; E255-K258 PolarHBondContact O-N 2.84Å; E255-K258 IonicContact OE1-NZ 3.84Å; E255-K258 PolarHBondContact OE1-NZ 3.16Å; E255-K258 IonicContact OE2-NZ 3.41Å; E255-Q259 WeakPolarHBondContact O-CG 3.34Å; E255-Q259 PolarHBondContact O-N 3.4Å
256	K	89.1	Confident	87.8	Confident	118 Å²	118	87.4 Å²	87.4	51%	0.513	45%	0.449	S	S	.	.	H	α-helix	trans	-59.9	-44.7	171.8	-70.8	173.5	-171.5	168.1	0	111.7	L252 E253 K258 Q259 E260	L252-K256 WeakPolarHBondContact O-CG 3.39Å; L252-K256 PolarHBondContact O-N 2.81Å; E253-K256 PolarHBondContact O-N 3Å; E253-K256 IonicContact OE1-NZ 3.76Å; E253-K256 PolarHBondContact OE1-NZ 3.18Å; K256-K258 VanDerWaalsContact C-N 3.31Å; K256-K258 PolarHBondContact O-N 3.15Å; K256-Q259 PolarHBondContact O-N 3.3Å; K256-E260 PolarHBondContact O-N 3.37Å
257	S	84.7	Confident	88	Confident	68 Å²	68	84.2 Å²	84.2	48%	0.476	44%	0.435	S	S	.	.	H	α-helix	trans	-63.7	-38.4	178.4	-58.3	0	0	0	0	111.6	E253 M254 E255 E260 L261	E253-S257 WeakPolarHBondContact O-CB 3.36Å; E253-S257 PolarHBondContact O-N 2.83Å; E253-S257 PolarHBondContact O-OG 2.73Å; M254-S257 PolarHBondContact O-N 2.89Å; E255-S257 VanDerWaalsContact C-N 3.34Å; E255-S257 PolarHBondContact O-N 3.32Å; S257-E260 PolarHBondContact O-N 3.5Å; S257-L261 WeakPolarHBondContact O-CG 3.36Å; S257-L261 PolarHBondContact O-N 3.47Å
258	K	88.2	Confident	87.9	Confident	93 Å²	93	87.6 Å²	87.6	40%	0.404	46%	0.463	S	S	.	.	H	α-helix	trans	-64.5	-45.6	173.6	175.7	-174.3	154.5	-140.1	0	112.1	M254 E255 K256 E260 L261 E262	M254-K258 WeakPolarHBondContact O-CB 3.17Å; M254-K258 PolarHBondContact O-N 2.85Å; E255-K258 WeakPolarHBondContact O-CB 3.32Å; E255-K258 PolarHBondContact O-N 2.84Å; E255-K258 IonicContact OE1-NZ 3.84Å; E255-K258 PolarHBondContact OE1-NZ 3.16Å; E255-K258 IonicContact OE2-NZ 3.41Å; K256-K258 VanDerWaalsContact C-N 3.31Å; K256-K258 PolarHBondContact O-N 3.15Å; K258-E260 VanDerWaalsContact C-N 3.28Å; K258-E260 PolarHBondContact O-N 3.41Å; K258-L261 WeakPolarHBondContact O-CB 3.29Å; K258-L261 PolarHBondContact O-N 2.9Å; K258-E262 WeakPolarHBondContact CE-OE1 3.41Å; K258-E262 WeakPolarHBondContact O-CG 3.37Å; K258-E262 PolarHBondContact O-N 3.27Å
259	Q	90	Very high	87.9	Confident	110 Å²	110	86.9 Å²	86.9	51%	0.514	46%	0.462	S	S	.	.	H	α-helix	trans	-61.4	-38	176.6	-73.2	174.2	0.4	0	0	112	E255 K256 E262 R263	E255-Q259 WeakPolarHBondContact O-CG 3.34Å; E255-Q259 PolarHBondContact O-N 3.4Å; K256-Q259 PolarHBondContact O-N 3.3Å; Q259-E262 PolarHBondContact O-N 3.29Å; Q259-R263 WeakPolarHBondContact O-CB 3.24Å; Q259-R263 PolarHBondContact O-N 3.32Å
260	E	85.6	Confident	87.9	Confident	68 Å²	68	86.6 Å²	86.6	32%	0.318	47%	0.468	S	S	.	.	H	α-helix	trans	-66.4	-40.4	174.9	-176.7	59.8	-171.2	0	0	111.7	K256 S257 K258 R263 L264	K256-E260 PolarHBondContact O-N 3.37Å; S257-E260 PolarHBondContact O-N 3.5Å; K258-E260 VanDerWaalsContact C-N 3.28Å; K258-E260 PolarHBondContact O-N 3.41Å; E260-R263 WeakPolarHBondContact O-CB 3.17Å; E260-R263 PolarHBondContact O-N 3.27Å; E260-R263 IonicContact OE1-CZ 2.84Å; E260-R263 IonicContact OE1-NE 2.83Å; E260-R263 PolarHBondContact OE1-NE 3.09Å; E260-R263 IonicContact OE1-NH2 2.69Å; E260-R263 PolarHBondContact OE1-NH2 3.35Å; E260-R263 IonicContact OE2-CZ 2.8Å; E260-R263 IonicContact OE2-NE 3.29Å; E260-R263 PolarHBondContact OE2-NE 3.24Å; E260-R263 IonicContact OE2-NH2 2.7Å; E260-L264 HydrophobicContact CG-CD1 4.48Å; E260-L264 VanDerWaalsContact O-CG 3.24Å; E260-L264 WeakPolarHBondContact O-CG 3.42Å; E260-L264 PolarHBondContact O-N 3.49Å
261	L	86.6	Confident	88	Confident	98 Å²	98	87.2 Å²	87.2	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-60.6	-43.6	172.1	-75.7	166.9	0	0	0	112.4	S257 K258 L264 A265 L280	S257-L261 WeakPolarHBondContact O-CG 3.36Å; S257-L261 PolarHBondContact O-N 3.47Å; K258-L261 WeakPolarHBondContact O-CB 3.29Å; K258-L261 PolarHBondContact O-N 2.9Å; L261-L264 PolarHBondContact O-N 2.82Å; L261-A265 WeakPolarHBondContact O-CB 3.3Å; L261-A265 PolarHBondContact O-N 3.07Å; L261-L280 HydrophobicContact CD2-CD2 3.33Å; L261-L280 HydrophobicContact CG-CD2 4.02Å
262	E	89	Confident	88.1	Confident	108 Å²	108	87.8 Å²	87.8	51%	0.505	48%	0.477	S	S	.	.	H	α-helix	trans	-63.6	-41.5	175.7	-72.2	172.7	174.7	0	0	111.6	K258 Q259 A265 A266	K258-E262 WeakPolarHBondContact CE-OE1 3.41Å; K258-E262 WeakPolarHBondContact O-CG 3.37Å; K258-E262 PolarHBondContact O-N 3.27Å; Q259-E262 PolarHBondContact O-N 3.29Å; E262-A265 PolarHBondContact O-N 3.49Å; E262-A266 PolarHBondContact O-N 3.12Å; E262-A266 VanDerWaalsContact O-N 3.16Å
263	R	88.7	Confident	88	Confident	105 Å²	105	85.8 Å²	85.8	40%	0.396	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-45.7	174.6	-171.5	-164.7	71.8	82.5	-4.8	111.4	Q259 E260 A265 A266 E276	Q259-R263 WeakPolarHBondContact O-CB 3.24Å; Q259-R263 PolarHBondContact O-N 3.32Å; E260-R263 WeakPolarHBondContact O-CB 3.17Å; E260-R263 PolarHBondContact O-N 3.27Å; E260-R263 IonicContact OE1-CZ 2.84Å; E260-R263 IonicContact OE1-NE 2.83Å; E260-R263 PolarHBondContact OE1-NE 3.09Å; E260-R263 IonicContact OE1-NH2 2.69Å; E260-R263 PolarHBondContact OE1-NH2 3.35Å; E260-R263 IonicContact OE2-CZ 2.8Å; E260-R263 IonicContact OE2-NE 3.29Å; E260-R263 PolarHBondContact OE2-NE 3.24Å; E260-R263 IonicContact OE2-NH2 2.7Å; R263-A265 VanDerWaalsContact C-N 3.35Å; R263-A266 PolarHBondContact O-N 2.93Å; R263-E276 IonicContact CZ-OE2 3.37Å; R263-E276 IonicContact NH2-OE2 3.79Å; R263-E276 PolarHBondContact NH2-OE2 2.82Å
264	L	87.4	Confident	88.1	Confident	4 Å²	4	86.4 Å²	86.4	2%	0.021	47%	0.47	C	S	.	.	H	α-helix	trans	-62.1	-42	176.8	-70.3	171.6	0	0	0	111.7	E260 L261 A266 I267 F273 E276 L280	E260-L264 HydrophobicContact CG-CD1 4.48Å; E260-L264 VanDerWaalsContact O-CG 3.24Å; E260-L264 WeakPolarHBondContact O-CG 3.42Å; E260-L264 PolarHBondContact O-N 3.49Å; L261-L264 PolarHBondContact O-N 2.82Å; L264-A266 PolarHBondContact O-N 3.21Å; L264-I267 HydrophobicContact CD2-CD1 4.02Å; L264-I267 PolarHBondContact O-N 2.68Å; L264-F273 WeakPolarHBondContact O-CD2 3.47Å; L264-E276 HydrophobicContact CD2-CB 3.25Å; L264-E276 HydrophobicContact CD2-CG 4.29Å; L264-L280 HydrophobicContact CD1-CB 4.06Å; L264-L280 HydrophobicContact CD1-CD2 3.43Å; L264-L280 VanDerWaalsContact CD1-CD2 3.43Å; L264-L280 HydrophobicContact CD1-CG 4.27Å
265	A	86.2	Confident	88.1	Confident	82 Å²	82	85.6 Å²	85.6	68%	0.678	46%	0.464	S	S	*	.	H	α-helix	trans	-64.5	-25	178.1	0	0	0	0	0	113.3	L261 E262 R263	L261-A265 WeakPolarHBondContact O-CB 3.3Å; L261-A265 PolarHBondContact O-N 3.07Å; E262-A265 PolarHBondContact O-N 3.49Å; R263-A265 VanDerWaalsContact C-N 3.35Å
266	A	89.6	Confident	87.9	Confident	82 Å²	82	84 Å²	84	68%	0.678	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-6.8	178.3	0	0	0	0	0	114.4	E262 R263 L264 S268	E262-A266 PolarHBondContact O-N 3.12Å; E262-A266 VanDerWaalsContact O-N 3.16Å; R263-A266 PolarHBondContact O-N 2.93Å; L264-A266 PolarHBondContact O-N 3.21Å; A266-S268 PolarHBondContact O-N 3.2Å
267	I	88.8	Confident	87.7	Confident	38 Å²	38	83.4 Å²	83.4	20%	0.195	45%	0.452	C	S	.	.			trans	-72.9	113.2	-178.9	-59.9	175	0	0	0	110	L264 N269 L272 F273 E276	L264-I267 HydrophobicContact CD2-CD1 4.02Å; L264-I267 PolarHBondContact O-N 2.68Å; I267-N269 HydrophobicContact CG2-CB 4.4Å; I267-N269 WeakPolarHBondContact CG2-O 3.45Å; I267-L272 HydrophobicContact CG2-CB 3.88Å; I267-F273 HydrophobicContact CB-CB 4.32Å; I267-F273 HydrophobicContact CG2-CB 4.1Å; I267-E276 HydrophobicContact CD1-CB 4.37Å; I267-E276 HydrophobicContact CD1-CG 4.28Å
268	S	85.9	Confident	87.6	Confident	123 Å²	123	83.9 Å²	83.9	86%	0.86	46%	0.455	S	S	*	.			trans	-77.8	-24.2	178.2	58.5	0	0	0	0	114.1	A266 T270	A266-S268 PolarHBondContact O-N 3.2Å; S268-T270 PolarHBondContact O-N 3.2Å
269	N	90.5	Very high	87.3	Confident	77 Å²	77	85.8 Å²	85.8	41%	0.412	46%	0.463	S	S	.	.			trans	-81.3	115.7	179.9	-178.7	-53	0	0	0	110.6	I267 V271 L272 F273	I267-N269 HydrophobicContact CG2-CB 4.4Å; I267-N269 WeakPolarHBondContact CG2-O 3.45Å; N269-V271 VanDerWaalsContact C-N 3.31Å; N269-V271 PolarHBondContact O-N 2.77Å; N269-V271 WeakPolarHBondContact OD1-CB 3.49Å; N269-V271 PolarHBondContact OD1-N 3.25Å; N269-L272 HydrophobicContact CB-CB 4.1Å; N269-L272 HydrophobicContact CB-CD1 3.91Å; N269-L272 HydrophobicContact CB-CG 4.15Å; N269-L272 PolarHBondContact O-N 3.23Å; N269-L272 PolarHBondContact OD1-N 3.08Å; N269-F273 WeakPolarHBondContact O-CB 3.5Å; N269-F273 PolarHBondContact O-N 2.79Å
270	T	88.4	Confident	86.7	Confident	102 Å²	102	83 Å²	83	63%	0.626	45%	0.451	S	S	*	.	H	α-helix	trans	-58.8	-37.7	-176.7	-47.7	0	0	0	0	113.5	S268 L274	S268-T270 PolarHBondContact O-N 3.2Å; T270-L274 HydrophobicContact CG2-CD1 4.29Å; T270-L274 VanDerWaalsContact O-CG 3.29Å; T270-L274 WeakPolarHBondContact O-CG 3.4Å; T270-L274 PolarHBondContact O-N 3.05Å
271	V	88.4	Confident	86.1	Confident	92 Å²	92	86 Å²	86	56%	0.558	46%	0.464	S	S	*	.	H	α-helix	trans	-69.4	-49.1	-179.3	-179	0	0	0	0	110.1	N269 F273 L274 E275	N269-V271 VanDerWaalsContact C-N 3.31Å; N269-V271 PolarHBondContact O-N 2.77Å; N269-V271 WeakPolarHBondContact OD1-CB 3.49Å; N269-V271 PolarHBondContact OD1-N 3.25Å; V271-F273 VanDerWaalsContact C-N 3.33Å; V271-F273 PolarHBondContact O-N 3.44Å; V271-L274 PolarHBondContact O-N 3.45Å; V271-E275 WeakPolarHBondContact O-CG 3.13Å; V271-E275 PolarHBondContact O-N 3.28Å
272	L	88.2	Confident	85.1	Confident	85 Å²	85	90.3 Å²	90.3	45%	0.445	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-40.6	178.3	-68.9	176.3	0	0	0	111.9	I267 N269 L274 E275 E276	I267-L272 HydrophobicContact CG2-CB 3.88Å; N269-L272 HydrophobicContact CB-CB 4.1Å; N269-L272 HydrophobicContact CB-CD1 3.91Å; N269-L272 HydrophobicContact CB-CG 4.15Å; N269-L272 PolarHBondContact O-N 3.23Å; N269-L272 PolarHBondContact OD1-N 3.08Å; L272-L274 PolarHBondContact O-N 3.04Å; L272-E275 PolarHBondContact O-N 3.42Å; L272-E276 WeakPolarHBondContact O-CB 3.26Å; L272-E276 VanDerWaalsContact O-CG 3.24Å; L272-E276 WeakPolarHBondContact O-CG 3.44Å; L272-E276 PolarHBondContact O-N 3.09Å
273	F	90.8	Very high	83.7	Confident	70 Å²	70	90.5 Å²	90.5	31%	0.307	49%	0.487	S	S	.	.	H	α-helix	trans	-58.4	-48.2	175.5	170.2	-96.6	0	0	0	111.7	L264 I267 N269 V271 E276 Y277	L264-F273 WeakPolarHBondContact O-CD2 3.47Å; I267-F273 HydrophobicContact CB-CB 4.32Å; I267-F273 HydrophobicContact CG2-CB 4.1Å; N269-F273 WeakPolarHBondContact O-CB 3.5Å; N269-F273 PolarHBondContact O-N 2.79Å; V271-F273 VanDerWaalsContact C-N 3.33Å; V271-F273 PolarHBondContact O-N 3.44Å; F273-E276 PolarHBondContact O-N 3.24Å; F273-Y277 HydrophobicContact CZ-CD2 4.29Å; F273-Y277 HydrophobicContact CZ-CG 4.45Å; F273-Y277 WeakPolarHBondContact O-CB 3.43Å; F273-Y277 PolarHBondContact O-N 2.66Å
274	L	87.8	Confident	82	Confident	92 Å²	92	93.2 Å²	93.2	48%	0.482	50%	0.504	S	S	.	.	H	α-helix	trans	-65.9	-40.4	-178.3	-71.6	171.5	0	0	0	112.1	T270 V271 L272 C278	T270-L274 HydrophobicContact CG2-CD1 4.29Å; T270-L274 VanDerWaalsContact O-CG 3.29Å; T270-L274 WeakPolarHBondContact O-CG 3.4Å; T270-L274 PolarHBondContact O-N 3.05Å; V271-L274 PolarHBondContact O-N 3.45Å; L272-L274 PolarHBondContact O-N 3.04Å; L274-C278 WeakPolarHBondContact O-CB 3.38Å; L274-C278 PolarHBondContact O-N 3.11Å; L274-C278 VanDerWaalsContact O-N 3.08Å; L274-C278 PolarHBondContact O-SG 2.82Å
275	E	86.6	Confident	80.7	Confident	104 Å²	104	100.1 Å²	100.1	49%	0.486	54%	0.541	S	S	.	.	H	α-helix	trans	-61.5	-47.8	176.3	-74.3	-178.1	165.2	0	0	111.7	V271 L272 K279	V271-E275 WeakPolarHBondContact O-CG 3.13Å; V271-E275 PolarHBondContact O-N 3.28Å; L272-E275 PolarHBondContact O-N 3.42Å; E275-K279 WeakPolarHBondContact O-CG 3.44Å; E275-K279 PolarHBondContact O-N 2.92Å
276	E	85.3	Confident	79.1	Confident	46 Å²	46	102.2 Å²	102.2	22%	0.215	55%	0.546	C	S	.	.	H	α-helix	trans	-73.1	-39.4	-177.6	-65	-73.3	111.9	0	0	112.1	R263 L264 I267 L272 F273 C278 K279 L280	R263-E276 IonicContact CZ-OE2 3.37Å; R263-E276 IonicContact NH2-OE2 3.79Å; R263-E276 PolarHBondContact NH2-OE2 2.82Å; L264-E276 HydrophobicContact CD2-CB 3.25Å; L264-E276 HydrophobicContact CD2-CG 4.29Å; I267-E276 HydrophobicContact CD1-CB 4.37Å; I267-E276 HydrophobicContact CD1-CG 4.28Å; L272-E276 WeakPolarHBondContact O-CB 3.26Å; L272-E276 VanDerWaalsContact O-CG 3.24Å; L272-E276 WeakPolarHBondContact O-CG 3.44Å; L272-E276 PolarHBondContact O-N 3.09Å; F273-E276 PolarHBondContact O-N 3.24Å; E276-C278 VanDerWaalsContact C-N 3.34Å; E276-C278 PolarHBondContact O-N 3.37Å; E276-K279 WeakPolarHBondContact O-CB 3.5Å; E276-K279 PolarHBondContact O-N 2.87Å; E276-K279 VanDerWaalsContact O-N 3.12Å; E276-K279 IonicContact OE1-NZ 3.29Å; E276-K279 PolarHBondContact OE1-NZ 2.73Å; E276-L280 PolarHBondContact O-N 3.11Å
277	Y	84.9	Confident	77.6	Confident	104 Å²	104	101.2 Å²	101.2	41%	0.408	54%	0.537	S	S	.	.	H	α-helix	trans	-59.9	-41.8	174	177.9	-95.7	0	0	0	112.2	F273 K279 L280 K281	F273-Y277 HydrophobicContact CZ-CD2 4.29Å; F273-Y277 HydrophobicContact CZ-CG 4.45Å; F273-Y277 WeakPolarHBondContact O-CB 3.43Å; F273-Y277 PolarHBondContact O-N 2.66Å; Y277-K279 PolarHBondContact O-N 3.29Å; Y277-L280 PolarHBondContact O-N 3.2Å; Y277-L280 VanDerWaalsContact O-N 3.17Å; Y277-K281 HydrophobicContact CE1-CD 4.31Å; Y277-K281 PolarHBondContact O-N 2.89Å; Y277-K281 VanDerWaalsContact O-N 3.13Å
278	C	83	Confident	76.2	Confident	79 Å²	79	104.8 Å²	104.8	53%	0.534	57%	0.566	S	S	.	*	H	α-helix	trans	-65.1	-26.5	177.1	-71.7	0	0	0	0	113	L274 E276	L274-C278 WeakPolarHBondContact O-CB 3.38Å; L274-C278 PolarHBondContact O-N 3.11Å; L274-C278 VanDerWaalsContact O-N 3.08Å; L274-C278 PolarHBondContact O-SG 2.82Å; E276-C278 VanDerWaalsContact C-N 3.34Å; E276-C278 PolarHBondContact O-N 3.37Å
279	K	81.1	Confident	75.1	Confident	132 Å²	132	102.4 Å²	102.4	57%	0.574	55%	0.547	S	S	*	.	H	α-helix	trans	-71.6	-42	172.4	-66.1	171.4	-170.7	168.5	0	111.1	E275 E276 Y277	E275-K279 WeakPolarHBondContact O-CG 3.44Å; E275-K279 PolarHBondContact O-N 2.92Å; E276-K279 WeakPolarHBondContact O-CB 3.5Å; E276-K279 PolarHBondContact O-N 2.87Å; E276-K279 VanDerWaalsContact O-N 3.12Å; E276-K279 IonicContact OE1-NZ 3.29Å; E276-K279 PolarHBondContact OE1-NZ 2.73Å; Y277-K279 PolarHBondContact O-N 3.29Å
280	L	78.7	Confident	73.4	Confident	51 Å²	51	104.6 Å²	104.6	27%	0.267	57%	0.568	S	S	.	*	H	α-helix	trans	-70	-39.9	-176.1	-174.4	69.3	0	0	0	113.6	L261 L264 E276 Y277 K282 T283	L261-L280 HydrophobicContact CD2-CD2 3.33Å; L261-L280 HydrophobicContact CG-CD2 4.02Å; L264-L280 HydrophobicContact CD1-CB 4.06Å; L264-L280 HydrophobicContact CD1-CD2 3.43Å; L264-L280 VanDerWaalsContact CD1-CD2 3.43Å; L264-L280 HydrophobicContact CD1-CG 4.27Å; E276-L280 PolarHBondContact O-N 3.11Å; Y277-L280 PolarHBondContact O-N 3.2Å; Y277-L280 VanDerWaalsContact O-N 3.17Å; L280-K282 PolarHBondContact O-N 2.97Å; L280-T283 PolarHBondContact O-N 3.04Å
281	K	72	Confident	72.5	Confident	133 Å²	133	104.8 Å²	104.8	58%	0.578	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-13.5	-175	-170.8	171.8	179.2	177.3	0	114.3	Y277 T283	Y277-K281 HydrophobicContact CE1-CD 4.31Å; Y277-K281 PolarHBondContact O-N 2.89Å; Y277-K281 VanDerWaalsContact O-N 3.13Å; K281-T283 PolarHBondContact O-N 2.96Å
282	K	66.3	Low	71.5	Confident	187 Å²	187	109.3 Å²	109.3	81%	0.813	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-3.9	176	-65	-176.3	-179	179.2	0	113.6	L280	L280-K282 PolarHBondContact O-N 2.97Å
283	T	58.3	Low	70.6	Confident	113 Å²	113	112.3 Å²	112.3	69%	0.693	59%	0.588	S	S	*	*			trans	-124.6	68.7	-173	-32.7	0	0	0	0	110.3	L280 K281	L280-T283 PolarHBondContact O-N 3.04Å; K281-T283 PolarHBondContact O-N 2.96Å
284	E	54.9	Low	69.5	Low	162 Å²	162	110 Å²	110	76%	0.757	58%	0.584	S	S	*	*			trans	-103.9	109.2	166.8	-85.7	-175.2	169.9	0	0	109.3
285	D	58.2	Low	68.7	Low	148 Å²	148	110 Å²	110	79%	0.791	58%	0.584	S	S	*	*			trans	-124	104.8	164.9	-157.1	0.3	0	0	0	108
286	T	53	Low	68	Low	127 Å²	127	113.6 Å²	113.6	78%	0.779	60%	0.597	S	S	*	*			trans	-115.7	88.7	-171.4	35	0	0	0	0	110.5
287	A	58.9	Low	67.5	Low	60 Å²	60	116.4 Å²	116.4	50%	0.496	61%	0.614	S	S	.	*			trans	-144	109.9	164.8	0	0	0	0	0	110.9	R250	R250-A287 PolarHBondContact NH2-O 2.91Å
288	S	59.8	Low	67.1	Low	114 Å²	114	118.9 Å²	118.9	80%	0.797	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-82.8	126.6	170.7	-55.1	0	0	0	0	109.9
289	P	62.1	Low	67.3	Low	73 Å²	73	119.1 Å²	119.1	47%	0.474	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-74.5	136.1	179.3	27.8	-30.9	0	0	0	111.7	L247	L247-P289 HydrophobicContact CD2-CB 4.38Å; L247-P289 HydrophobicContact CD2-CG 3.51Å
290	S	55.7	Low	67.6	Low	122 Å²	122	116.1 Å²	116.1	85%	0.853	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-97.6	133.2	164.3	64.3	0	0	0	0	110.3
291	I	68	Low	68.1	Low	107 Å²	107	115.4 Å²	115.4	55%	0.549	62%	0.623	S	S	.	*			trans	-109.6	128.8	-177.2	-53.7	168.7	0	0	0	109.8	L247	L247-I291 HydrophobicContact CD1-CD1 3.42Å; L247-I291 VanDerWaalsContact CD1-CD1 3.42Å; L247-I291 HydrophobicContact CD1-CG1 4.44Å
292	Y	67.3	Low	69	Low	187 Å²	187	111.2 Å²	111.2	73%	0.733	61%	0.607	S	S	*	*			trans	-112.5	130.6	173.9	177.8	-102.1	0	0	0	111.1
293	I	69.3	Low	70.3	Confident	148 Å²	148	111 Å²	111	76%	0.759	60%	0.601	S	S	*	*			trans	-110.3	96.1	179.8	-55.4	174	0	0	0	109.3
294	G	67.5	Low	71.9	Confident	21 Å²	21	112.1 Å²	112.1	22%	0.216	60%	0.596	C	S	.	*			trans	-101	29.3	-175.7	0	0	0	0	0	115.9
295	L	71.6	Confident	73.8	Confident	92 Å²	92	109 Å²	109	48%	0.482	59%	0.588	S	S	.	*	H	α-helix	trans	-71.3	-34.8	-171.6	-171.9	65.3	0	0	0	113.2	D297 K298 L299	L295-D297 PolarHBondContact O-N 2.77Å; L295-K298 PolarHBondContact O-N 2.85Å; L295-L299 HydrophobicContact CD1-CD1 4.45Å; L295-L299 HydrophobicContact CD1-CG 4.36Å; L295-L299 HydrophobicContact CD2-CD1 4.18Å; L295-L299 HydrophobicContact CG-CD1 3.85Å; L295-L299 HydrophobicContact CG-CG 4.18Å; L295-L299 WeakPolarHBondContact O-CG 3.28Å; L295-L299 PolarHBondContact O-N 2.78Å; L295-L299 VanDerWaalsContact O-N 3.08Å
296	K	72.4	Confident	75.5	Confident	179 Å²	179	105 Å²	105	78%	0.778	57%	0.566	S	S	*	*	H	α-helix	trans	-62	-43.2	-172.7	-168.3	175.9	-179.9	-179.6	0	112.8	L299 S300	K296-L299 PolarHBondContact O-N 3.44Å; K296-S300 PolarHBondContact O-N 2.84Å
297	D	74.1	Confident	77.4	Confident	105 Å²	105	102.1 Å²	102.1	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-67.4	-40.2	-178.4	-58.1	-27	0	0	0	111.2	L295 S300 G301	L295-D297 PolarHBondContact O-N 2.77Å; D297-S300 PolarHBondContact O-N 2.64Å; D297-S300 PolarHBondContact O-OG 3.29Å; D297-G301 PolarHBondContact O-N 2.81Å
298	K	77.9	Confident	79.1	Confident	157 Å²	157	102.8 Å²	102.8	68%	0.683	54%	0.543	S	S	*	.	H	α-helix	trans	-64.4	-43.4	177.3	-64.5	-176.3	179.9	-177.8	0	111.9	L295 S300 G301 I302	L295-K298 PolarHBondContact O-N 2.85Å; K298-S300 VanDerWaalsContact C-N 3.29Å; K298-S300 PolarHBondContact O-N 3.11Å; K298-G301 PolarHBondContact O-N 2.86Å; K298-I302 PolarHBondContact O-N 3.24Å
299	L	86.4	Confident	80.7	Confident	83 Å²	83	100.8 Å²	100.8	44%	0.435	53%	0.529	S	S	.	.	H	α-helix	trans	-67	-30.6	177.3	-69.5	177.2	0	0	0	112.5	L295 K296 I302 R303	L295-L299 HydrophobicContact CD1-CD1 4.45Å; L295-L299 HydrophobicContact CD1-CG 4.36Å; L295-L299 HydrophobicContact CD2-CD1 4.18Å; L295-L299 HydrophobicContact CG-CD1 3.85Å; L295-L299 HydrophobicContact CG-CG 4.18Å; L295-L299 WeakPolarHBondContact O-CG 3.28Å; L295-L299 PolarHBondContact O-N 2.78Å; L295-L299 VanDerWaalsContact O-N 3.08Å; K296-L299 PolarHBondContact O-N 3.44Å; L299-I302 HydrophobicContact CD2-CD1 4.46Å; L299-I302 PolarHBondContact O-N 3.46Å; L299-R303 WeakPolarHBondContact O-CB 3.42Å; L299-R303 PolarHBondContact O-N 3.29Å
300	S	86.8	Confident	82.1	Confident	69 Å²	69	100.7 Å²	100.7	48%	0.483	53%	0.528	S	S	.	.	H	α-helix	trans	-63.8	-40.6	175.3	80	0	0	0	0	112.1	K296 D297 K298 R303 K304	K296-S300 PolarHBondContact O-N 2.84Å; D297-S300 PolarHBondContact O-N 2.64Å; D297-S300 PolarHBondContact O-OG 3.29Å; K298-S300 VanDerWaalsContact C-N 3.29Å; K298-S300 PolarHBondContact O-N 3.11Å; S300-R303 PolarHBondContact O-N 2.93Å; S300-K304 WeakPolarHBondContact O-CB 3.31Å; S300-K304 PolarHBondContact O-N 3.05Å
301	G	89.6	Confident	83.9	Confident	37 Å²	37	99.3 Å²	99.3	38%	0.381	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-45.9	175.5	0	0	0	0	0	112.4	D297 K298 K304 V305	D297-G301 PolarHBondContact O-N 2.81Å; K298-G301 PolarHBondContact O-N 2.86Å; G301-K304 PolarHBondContact O-N 2.76Å; G301-V305 WeakPolarHBondContact O-CG2 3.4Å; G301-V305 PolarHBondContact O-N 2.77Å; G301-V305 VanDerWaalsContact O-N 3.1Å
302	I	91.1	Very high	85.1	Confident	45 Å²	45	99 Å²	99	23%	0.231	51%	0.51	C	S	.	.	H	α-helix	trans	-62.2	-46.2	177.6	-63.2	167.1	0	0	0	110.7	F228 L229 K298 L299 K304 V305 I306	F228-I302 HydrophobicContact CE1-CD1 4.17Å; L229-I302 HydrophobicContact CD2-CG2 3.94Å; K298-I302 PolarHBondContact O-N 3.24Å; L299-I302 HydrophobicContact CD2-CD1 4.46Å; L299-I302 PolarHBondContact O-N 3.46Å; I302-K304 VanDerWaalsContact C-N 3.32Å; I302-K304 PolarHBondContact O-N 3.15Å; I302-V305 PolarHBondContact O-N 3.39Å; I302-I306 HydrophobicContact CG2-CD1 3.95Å; I302-I306 WeakPolarHBondContact O-CG1 3.26Å; I302-I306 PolarHBondContact O-N 3.07Å; I302-I306 VanDerWaalsContact O-N 3.09Å
303	R	92.7	Very high	86.3	Confident	182 Å²	182	93.2 Å²	93.2	69%	0.687	49%	0.491	S	S	*	.	H	α-helix	trans	-56.6	-46.3	176.8	-177.8	-175	-59.7	-115.7	-3.5	111.5	L299 S300 V305 I306 T307	L299-R303 WeakPolarHBondContact O-CB 3.42Å; L299-R303 PolarHBondContact O-N 3.29Å; S300-R303 PolarHBondContact O-N 2.93Å; R303-V305 PolarHBondContact O-N 2.99Å; R303-I306 PolarHBondContact O-N 3.25Å; R303-T307 PolarHBondContact O-N 3.4Å; R303-T307 PolarHBondContact O-OG1 2.9Å
304	K	93.2	Very high	87.4	Confident	137 Å²	137	89.9 Å²	89.9	60%	0.596	47%	0.474	S	S	*	.	H	α-helix	trans	-59	-47.6	179	-176.3	179	178.6	-175.9	0	111.6	S300 G301 I302 I306 T307 D308	S300-K304 WeakPolarHBondContact O-CB 3.31Å; S300-K304 PolarHBondContact O-N 3.05Å; G301-K304 PolarHBondContact O-N 2.76Å; I302-K304 VanDerWaalsContact C-N 3.32Å; I302-K304 PolarHBondContact O-N 3.15Å; K304-I306 VanDerWaalsContact C-N 3.3Å; K304-I306 PolarHBondContact O-N 3.43Å; K304-T307 PolarHBondContact O-N 3.34Å; K304-D308 WeakPolarHBondContact CE-OD2 3.46Å; K304-D308 WeakPolarHBondContact CG-OD2 3.2Å; K304-D308 WeakPolarHBondContact O-CB 3.44Å; K304-D308 VanDerWaalsContact O-CG 3.3Å; K304-D308 PolarHBondContact O-N 2.91Å
305	V	93.6	Very high	88.5	Confident	95 Å²	95	94.5 Å²	94.5	58%	0.576	49%	0.49	S	S	*	.	H	α-helix	trans	-57.9	-43.5	177.9	173.2	0	0	0	0	111.3	G301 I302 R303 S309	G301-V305 WeakPolarHBondContact O-CG2 3.4Å; G301-V305 PolarHBondContact O-N 2.77Å; G301-V305 VanDerWaalsContact O-N 3.1Å; I302-V305 PolarHBondContact O-N 3.39Å; R303-V305 PolarHBondContact O-N 2.99Å; V305-S309 VanDerWaalsContact O-CB 3.23Å; V305-S309 WeakPolarHBondContact O-CB 3.42Å; V305-S309 PolarHBondContact O-N 2.78Å; V305-S309 VanDerWaalsContact O-N 3.09Å; V305-S309 PolarHBondContact O-OG 2.86Å
306	I	93.5	Very high	89.5	Confident	65 Å²	65	94.3 Å²	94.3	33%	0.333	49%	0.489	S	S	.	.	H	α-helix	trans	-62.6	-52.8	177.4	-64.5	166.3	0	0	0	110.3	V225 I302 R303 K304 S309 T310	V225-I306 HydrophobicContact CG1-CD1 3.9Å; V225-I306 HydrophobicContact CG1-CG1 4.28Å; I302-I306 HydrophobicContact CG2-CD1 3.95Å; I302-I306 WeakPolarHBondContact O-CG1 3.26Å; I302-I306 PolarHBondContact O-N 3.07Å; I302-I306 VanDerWaalsContact O-N 3.09Å; R303-I306 PolarHBondContact O-N 3.25Å; K304-I306 VanDerWaalsContact C-N 3.3Å; K304-I306 PolarHBondContact O-N 3.43Å; I306-S309 PolarHBondContact O-N 2.94Å; I306-T310 PolarHBondContact O-N 3.37Å; I306-T310 PolarHBondContact O-OG1 3.06Å
307	T	94.2	Very high	90.4	Very high	67 Å²	67	88.7 Å²	88.7	41%	0.411	47%	0.467	S	S	.	.	H	α-helix	trans	-61.4	-48.7	-177.4	-58.4	0	0	0	0	112.5	R303 K304 S309 T310 L311	R303-T307 PolarHBondContact O-N 3.4Å; R303-T307 PolarHBondContact O-OG1 2.9Å; K304-T307 PolarHBondContact O-N 3.34Å; T307-S309 VanDerWaalsContact C-N 3.33Å; T307-S309 PolarHBondContact O-N 3.12Å; T307-T310 PolarHBondContact O-N 3.26Å; T307-L311 HydrophobicContact CG2-CD1 4Å; T307-L311 HydrophobicContact CG2-CG 4.45Å; T307-L311 WeakPolarHBondContact O-CG 3.38Å; T307-L311 PolarHBondContact O-N 2.95Å
308	D	94.5	Very high	91.2	Very high	73 Å²	73	90 Å²	90	39%	0.39	47%	0.47	S	S	.	.	H	α-helix	trans	-62.7	-41.4	-179.3	-68.1	-8.2	0	0	0	110.6	K304 N312	K304-D308 WeakPolarHBondContact CE-OD2 3.46Å; K304-D308 WeakPolarHBondContact CG-OD2 3.2Å; K304-D308 WeakPolarHBondContact O-CB 3.44Å; K304-D308 VanDerWaalsContact O-CG 3.3Å; K304-D308 PolarHBondContact O-N 2.91Å; D308-N312 PolarHBondContact O-N 3.2Å; D308-N312 PolarHBondContact O-ND2 3.32Å
309	S	92.7	Very high	91.8	Very high	72 Å²	72	83.6 Å²	83.6	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-66.6	-41.9	178.6	-56.2	0	0	0	0	112.2	V305 I306 T307 L313	V305-S309 VanDerWaalsContact O-CB 3.23Å; V305-S309 WeakPolarHBondContact O-CB 3.42Å; V305-S309 PolarHBondContact O-N 2.78Å; V305-S309 VanDerWaalsContact O-N 3.09Å; V305-S309 PolarHBondContact O-OG 2.86Å; I306-S309 PolarHBondContact O-N 2.94Å; T307-S309 VanDerWaalsContact C-N 3.33Å; T307-S309 PolarHBondContact O-N 3.12Å; S309-L313 PolarHBondContact O-N 2.85Å
310	T	92.4	Very high	91.9	Very high	72 Å²	72	84.8 Å²	84.8	44%	0.442	44%	0.444	S	S	.	.	H	α-helix	trans	-67.7	-41.2	178.9	-55.9	0	0	0	0	112.2	I306 T307 N312 L313 I314	I306-T310 PolarHBondContact O-N 3.37Å; I306-T310 PolarHBondContact O-OG1 3.06Å; T307-T310 PolarHBondContact O-N 3.26Å; T310-N312 PolarHBondContact O-N 2.88Å; T310-L313 PolarHBondContact O-N 3.35Å; T310-I314 HydrophobicContact CG2-CD1 4.05Å; T310-I314 WeakPolarHBondContact O-CG1 3.41Å; T310-I314 PolarHBondContact O-N 2.85Å
311	L	93.8	Very high	91.8	Very high	92 Å²	92	88.6 Å²	88.6	48%	0.482	45%	0.452	S	S	.	.	H	α-helix	trans	-61.7	-43	178	-75.8	173.4	0	0	0	112.2	T307 L313 I314 Q315	T307-L311 HydrophobicContact CG2-CD1 4Å; T307-L311 HydrophobicContact CG2-CG 4.45Å; T307-L311 WeakPolarHBondContact O-CG 3.38Å; T307-L311 PolarHBondContact O-N 2.95Å; L311-L313 VanDerWaalsContact C-N 3.3Å; L311-L313 PolarHBondContact O-N 2.84Å; L311-I314 PolarHBondContact O-N 3.49Å; L311-Q315 WeakPolarHBondContact O-CG 3.49Å; L311-Q315 PolarHBondContact O-N 3.45Å
312	N	92.6	Very high	91.7	Very high	102 Å²	102	93.2 Å²	93.2	55%	0.545	46%	0.464	S	S	.	.	H	α-helix	trans	-60.8	-38.9	176.4	-75.3	-53.1	0	0	0	112.2	D308 T310 L316	D308-N312 PolarHBondContact O-N 3.2Å; D308-N312 PolarHBondContact O-ND2 3.32Å; T310-N312 PolarHBondContact O-N 2.88Å; N312-L316 PolarHBondContact O-N 2.86Å; N312-L316 VanDerWaalsContact O-N 3.12Å
313	L	92.3	Very high	91.5	Very high	65 Å²	65	96.3 Å²	96.3	34%	0.34	48%	0.476	S	S	.	.	H	α-helix	trans	-66.7	-43.1	176.9	-173.9	66.4	0	0	0	111.6	V218 S309 T310 L311 L316 L317	V218-L313 HydrophobicContact CG2-CD2 3.92Å; S309-L313 PolarHBondContact O-N 2.85Å; T310-L313 PolarHBondContact O-N 3.35Å; L311-L313 VanDerWaalsContact C-N 3.3Å; L311-L313 PolarHBondContact O-N 2.84Å; L313-L316 WeakPolarHBondContact O-CB 3.43Å; L313-L316 PolarHBondContact O-N 3.14Å; L313-L317 HydrophobicContact CG-CD1 4.39Å; L313-L317 WeakPolarHBondContact O-CG 3.23Å; L313-L317 PolarHBondContact O-N 2.93Å; L313-L317 VanDerWaalsContact O-N 3.08Å
314	I	91.6	Very high	91.1	Very high	77 Å²	77	93 Å²	93	40%	0.395	47%	0.471	S	S	.	.	H	α-helix	trans	-60	-48.8	178.1	-68.7	168.5	0	0	0	110.6	T310 L311 L316 L317 E318	T310-I314 HydrophobicContact CG2-CD1 4.05Å; T310-I314 WeakPolarHBondContact O-CG1 3.41Å; T310-I314 PolarHBondContact O-N 2.85Å; L311-I314 PolarHBondContact O-N 3.49Å; I314-L316 VanDerWaalsContact C-N 3.28Å; I314-L316 PolarHBondContact O-N 3.1Å; I314-L317 PolarHBondContact O-N 3.14Å; I314-E318 HydrophobicContact CG2-CG 4.36Å; I314-E318 WeakPolarHBondContact O-CG 3.4Å; I314-E318 PolarHBondContact O-N 2.86Å
315	Q	91.7	Very high	90.6	Very high	118 Å²	118	91.2 Å²	91.2	55%	0.551	47%	0.465	S	S	*	.	H	α-helix	trans	-59.2	-39.4	177.9	-71.9	177.2	-13.4	0	0	112.4	L311 L317 E318 S319	L311-Q315 WeakPolarHBondContact O-CG 3.49Å; L311-Q315 PolarHBondContact O-N 3.45Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; Q315-L317 PolarHBondContact O-N 2.88Å; Q315-E318 PolarHBondContact O-N 2.9Å; Q315-S319 PolarHBondContact O-N 3.5Å
316	L	92.1	Very high	90	Very high	88 Å²	88	93 Å²	93	46%	0.461	47%	0.467	S	S	.	.	H	α-helix	trans	-62	-41.6	175.5	-179.1	62.9	0	0	0	111.5	N312 L313 I314 S319 Y320	N312-L316 PolarHBondContact O-N 2.86Å; N312-L316 VanDerWaalsContact O-N 3.12Å; L313-L316 WeakPolarHBondContact O-CB 3.43Å; L313-L316 PolarHBondContact O-N 3.14Å; I314-L316 VanDerWaalsContact C-N 3.28Å; I314-L316 PolarHBondContact O-N 3.1Å; L316-S319 PolarHBondContact O-N 3.15Å; L316-S319 PolarHBondContact O-OG 2.98Å; L316-Y320 WeakPolarHBondContact O-CD2 3.18Å
317	L	91.1	Very high	89.2	Confident	61 Å²	61	94.9 Å²	94.9	32%	0.319	47%	0.473	S	S	.	.	H	α-helix	trans	-70	-38.3	179.1	-63.5	174.5	0	0	0	112.5	L214 L313 I314 Q315 S319 Y320	L214-L317 HydrophobicContact CD2-CD1 4.24Å; L214-L317 HydrophobicContact CD2-CD2 3.38Å; L214-L317 HydrophobicContact CD2-CG 4.45Å; L313-L317 HydrophobicContact CG-CD1 4.39Å; L313-L317 WeakPolarHBondContact O-CG 3.23Å; L313-L317 PolarHBondContact O-N 2.93Å; L313-L317 VanDerWaalsContact O-N 3.08Å; I314-L317 PolarHBondContact O-N 3.14Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; Q315-L317 PolarHBondContact O-N 2.88Å; L317-S319 PolarHBondContact O-N 3.07Å; L317-Y320 HydrophobicContact CD2-CE2 4.4Å; L317-Y320 PolarHBondContact O-N 3.04Å
318	E	90.6	Very high	88.2	Confident	134 Å²	134	94.6 Å²	94.6	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-61.4	-31.6	175.1	-71.3	175.1	159.9	0	0	112	I314 Q315 Y320	I314-E318 HydrophobicContact CG2-CG 4.36Å; I314-E318 WeakPolarHBondContact O-CG 3.4Å; I314-E318 PolarHBondContact O-N 2.86Å; Q315-E318 PolarHBondContact O-N 2.9Å; E318-Y320 PolarHBondContact O-N 2.77Å
319	S	91.6	Very high	87	Confident	22 Å²	22	100.9 Å²	100.9	15%	0.154	49%	0.492	C	S	.	.	H	α-helix	trans	-67.3	-14.6	178.7	79.3	0	0	0	0	115.3	Q315 L316 L317 K321 E322 K323	Q315-S319 PolarHBondContact O-N 3.5Å; L316-S319 PolarHBondContact O-N 3.15Å; L316-S319 PolarHBondContact O-OG 2.98Å; L317-S319 PolarHBondContact O-N 3.07Å; S319-K321 PolarHBondContact O-N 2.75Å; S319-E322 PolarHBondContact O-N 2.9Å; S319-K323 WeakPolarHBondContact O-CG 3.41Å; S319-K323 PolarHBondContact O-N 2.84Å; S319-K323 WeakPolarHBondContact OG-CE 3.29Å; S319-K323 PolarHBondContact OG-NZ 3.37Å
320	Y	87.8	Confident	85.8	Confident	107 Å²	107	102.7 Å²	102.7	42%	0.42	49%	0.492	S	S	.	.	H	α-helix	trans	-63	-41.3	-174.9	-88.6	-124.1	0	0	0	112.3	F211 L316 L317 E318 K323 L324	F211-Y320 HydrophobicContact CZ-CD1 4.05Å; F211-Y320 HydrophobicContact CZ-CE1 4.25Å; L316-Y320 WeakPolarHBondContact O-CD2 3.18Å; L317-Y320 HydrophobicContact CD2-CE2 4.4Å; L317-Y320 PolarHBondContact O-N 3.04Å; E318-Y320 PolarHBondContact O-N 2.77Å; Y320-K323 PolarHBondContact O-N 2.88Å; Y320-L324 WeakPolarHBondContact O-CG 3.24Å; Y320-L324 PolarHBondContact O-N 3.18Å
321	K	85.9	Confident	84.2	Confident	149 Å²	149	104.1 Å²	104.1	65%	0.648	49%	0.494	S	S	*	.	H	α-helix	trans	-64.9	-44.3	-179.4	-175.7	179.7	178.4	-177.3	0	111.3	S319 L324 Q325	S319-K321 PolarHBondContact O-N 2.75Å; K321-L324 PolarHBondContact O-N 2.92Å; K321-Q325 VanDerWaalsContact O-CG 3.3Å; K321-Q325 WeakPolarHBondContact O-CG 3.49Å; K321-Q325 PolarHBondContact O-N 3.14Å
322	E	87.5	Confident	82.6	Confident	135 Å²	135	107.3 Å²	107.3	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-63.7	-43.4	179	-64.7	178	169.5	0	0	111.2	S319 L324 Q325 E326	S319-E322 PolarHBondContact O-N 2.9Å; E322-L324 PolarHBondContact O-N 3.27Å; E322-Q325 PolarHBondContact O-N 2.92Å; E322-E326 WeakPolarHBondContact O-CB 3.38Å; E322-E326 PolarHBondContact O-N 2.97Å
323	K	86.6	Confident	81	Confident	110 Å²	110	107 Å²	107	48%	0.478	50%	0.498	S	S	.	.	H	α-helix	trans	-60.6	-42.2	175.3	-73.7	169.2	178.2	160.8	0	112.7	S319 Y320 E326 F327	S319-K323 WeakPolarHBondContact O-CG 3.41Å; S319-K323 PolarHBondContact O-N 2.84Å; S319-K323 WeakPolarHBondContact OG-CE 3.29Å; S319-K323 PolarHBondContact OG-NZ 3.37Å; Y320-K323 PolarHBondContact O-N 2.88Å; K323-E326 PolarHBondContact O-N 3.12Å; K323-F327 WeakPolarHBondContact O-CB 3.35Å; K323-F327 PolarHBondContact O-N 3.49Å
324	L	84.6	Confident	79.5	Confident	113 Å²	113	107.9 Å²	107.9	59%	0.592	50%	0.503	S	S	*	.	H	α-helix	trans	-66	-40.7	175.4	-72.7	171.9	0	0	0	111.6	Y320 K321 E322 F327 S328	Y320-L324 WeakPolarHBondContact O-CG 3.24Å; Y320-L324 PolarHBondContact O-N 3.18Å; K321-L324 PolarHBondContact O-N 2.92Å; E322-L324 PolarHBondContact O-N 3.27Å; L324-F327 PolarHBondContact O-N 3.3Å; L324-S328 PolarHBondContact O-N 3.39Å; L324-S328 PolarHBondContact O-OG 3.35Å; L324-S328 VanDerWaalsContact O-OG 3.05Å
325	Q	81.6	Confident	78.4	Confident	99 Å²	99	110.5 Å²	110.5	46%	0.463	52%	0.517	S	S	.	.	H	α-helix	trans	-65.9	-38.1	176.8	-74.2	176.6	-34.8	0	0	112.6	K321 E322 S328 R329	K321-Q325 VanDerWaalsContact O-CG 3.3Å; K321-Q325 WeakPolarHBondContact O-CG 3.49Å; K321-Q325 PolarHBondContact O-N 3.14Å; E322-Q325 PolarHBondContact O-N 2.92Å; Q325-S328 PolarHBondContact O-N 3.07Å; Q325-R329 WeakPolarHBondContact O-CG 3.47Å; Q325-R329 PolarHBondContact O-N 3Å
326	E	82.3	Confident	77.3	Confident	132 Å²	132	109.6 Å²	109.6	62%	0.617	51%	0.508	S	S	*	.	H	α-helix	trans	-64.6	-45.8	173.7	-173.4	172	-157.5	0	0	110.8	E322 K323 S328 R329	E322-E326 WeakPolarHBondContact O-CB 3.38Å; E322-E326 PolarHBondContact O-N 2.97Å; K323-E326 PolarHBondContact O-N 3.12Å; E326-S328 VanDerWaalsContact C-N 3.33Å; E326-S328 PolarHBondContact O-N 3.13Å; E326-R329 WeakPolarHBondContact O-CB 3.24Å; E326-R329 PolarHBondContact O-N 2.97Å; E326-R329 VanDerWaalsContact O-N 3.13Å
327	F	76.8	Confident	76.4	Confident	104 Å²	104	108.8 Å²	108.8	46%	0.456	51%	0.507	S	S	.	.	H	α-helix	trans	-59.8	-39.8	175.4	-172	-103	0	0	0	112.6	K323 L324 R329 E330 Y333	K323-F327 WeakPolarHBondContact O-CB 3.35Å; K323-F327 PolarHBondContact O-N 3.49Å; L324-F327 PolarHBondContact O-N 3.3Å; F327-R329 VanDerWaalsContact C-N 3.29Å; F327-R329 PolarHBondContact O-N 3.2Å; F327-E330 PolarHBondContact O-N 3.42Å; F327-Y333 HydrophobicContact CD1-CD2 4.22Å; F327-Y333 HydrophobicContact CD1-CG 4.13Å; F327-Y333 AromaticContact CD2-CD2 3.99Å; F327-Y333 HydrophobicContact CD2-CD2 3.99Å; F327-Y333 HydrophobicContact CD2-CE2 4.22Å; F327-Y333 VanDerWaalsContact CE1-CB 3.5Å; F327-Y333 AromaticContact CE1-CD1 3.86Å; F327-Y333 HydrophobicContact CE1-CD1 3.86Å; F327-Y333 AromaticContact CE1-CD2 3.79Å; F327-Y333 HydrophobicContact CE1-CD2 3.79Å; F327-Y333 HydrophobicContact CE1-CE2 4.5Å; F327-Y333 AromaticContact CE1-CG 3.42Å; F327-Y333 HydrophobicContact CE1-CG 3.42Å; F327-Y333 VanDerWaalsContact CE1-CG 3.42Å; F327-Y333 HydrophobicContact CE2-CD1 4.34Å; F327-Y333 AromaticContact CE2-CD2 3.52Å; F327-Y333 HydrophobicContact CE2-CD2 3.52Å; F327-Y333 HydrophobicContact CE2-CE1 4.35Å; F327-Y333 AromaticContact CE2-CE2 3.52Å; F327-Y333 HydrophobicContact CE2-CE2 3.52Å; F327-Y333 AromaticContact CE2-CG 3.96Å; F327-Y333 HydrophobicContact CE2-CG 3.96Å; F327-Y333 AromaticContact CE2-CZ 3.96Å; F327-Y333 HydrophobicContact CG-CD2 4.32Å; F327-Y333 AromaticContact CZ-CD1 3.5Å; F327-Y333 HydrophobicContact CZ-CD1 3.5Å; F327-Y333 AromaticContact CZ-CD2 3.41Å; F327-Y333 HydrophobicContact CZ-CD2 3.41Å; F327-Y333 VanDerWaalsContact CZ-CD2 3.41Å; F327-Y333 AromaticContact CZ-CE1 3.79Å; F327-Y333 HydrophobicContact CZ-CE1 3.79Å; F327-Y333 AromaticContact CZ-CE2 3.69Å; F327-Y333 HydrophobicContact CZ-CE2 3.69Å; F327-Y333 AromaticContact CZ-CG 3.32Å; F327-Y333 HydrophobicContact CZ-CG 3.32Å; F327-Y333 AromaticContact CZ-CZ 3.88Å
328	S	72.4	Confident	75.1	Confident	62 Å²	62	113 Å²	113	43%	0.434	53%	0.526	S	S	.	.	H	α-helix	trans	-70.9	-16.2	177.2	-61.6	0	0	0	0	114.6	L324 Q325 E326 E330	L324-S328 PolarHBondContact O-N 3.39Å; L324-S328 PolarHBondContact O-OG 3.35Å; L324-S328 VanDerWaalsContact O-OG 3.05Å; Q325-S328 PolarHBondContact O-N 3.07Å; E326-S328 VanDerWaalsContact C-N 3.33Å; E326-S328 PolarHBondContact O-N 3.13Å; S328-E330 VanDerWaalsContact C-N 3.26Å
329	R	69.5	Low	73.7	Confident	204 Å²	204	109.6 Å²	109.6	77%	0.77	51%	0.513	S	S	*	.	H	α-helix	trans	-72.9	-23.4	175.6	-73	172.2	-171.5	-178.7	3.6	112.3	Q325 E326 F327 E331	Q325-R329 WeakPolarHBondContact O-CG 3.47Å; Q325-R329 PolarHBondContact O-N 3Å; E326-R329 WeakPolarHBondContact O-CB 3.24Å; E326-R329 PolarHBondContact O-N 2.97Å; E326-R329 VanDerWaalsContact O-N 3.13Å; F327-R329 VanDerWaalsContact C-N 3.29Å; F327-R329 PolarHBondContact O-N 3.2Å; R329-E331 PolarHBondContact O-N 2.77Å
330	E	67.5	Low	72.3	Confident	110 Å²	110	112.4 Å²	112.4	51%	0.514	53%	0.533	S	S	.	.	S	Bend	trans	-73	114.2	173	-63.2	-176.1	175.9	0	0	108	F327 S328 E332 Y333	F327-E330 PolarHBondContact O-N 3.42Å; S328-E330 VanDerWaalsContact C-N 3.26Å; E330-E332 PolarHBondContact O-N 2.9Å; E330-Y333 HydrophobicContact CB-CD2 3.9Å; E330-Y333 HydrophobicContact CB-CE2 4.28Å; E330-Y333 PolarHBondContact O-N 2.95Å; E330-Y333 VanDerWaalsContact OE2-CE2 3.32Å; E330-Y333 WeakPolarHBondContact OE2-CE2 3.26Å
331	E	58.4	Low	70.7	Confident	103 Å²	103	108.2 Å²	108.2	48%	0.481	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-15.1	-173.3	-77.4	-161.3	-167.5	0	0	114.6	R329 Y333 R336 K517	R329-E331 PolarHBondContact O-N 2.77Å; E331-Y333 VanDerWaalsContact C-N 3.33Å; E331-R336 PolarHBondContact O-NH2 2.79Å; E331-R336 IonicContact OE2-CZ 2.63Å; E331-R336 IonicContact OE2-NH1 3.78Å; E331-R336 IonicContact OE2-NH2 2.71Å; E331-R336 PolarHBondContact OE2-NH2 3.43Å; E331-R336 VanDerWaalsContact OE2-NH2 3.08Å; E331-K517 IonicContact OE1-NZ 2.86Å; E331-K517 PolarHBondContact OE1-NZ 3.41Å
332	E	59.3	Low	69.2	Low	159 Å²	159	108.8 Å²	108.8	74%	0.743	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.3	177.4	-168.7	169.6	172.8	0	0	112.9	E330	E330-E332 PolarHBondContact O-N 2.9Å
333	Y	59.2	Low	67.5	Low	94 Å²	94	103.9 Å²	103.9	37%	0.369	51%	0.508	S	S	.	.	S	Bend	trans	-115	2.6	-173	-52.9	-60	0	0	0	114.4	F327 E330 E331	F327-Y333 HydrophobicContact CD1-CD2 4.22Å; F327-Y333 HydrophobicContact CD1-CG 4.13Å; F327-Y333 AromaticContact CD2-CD2 3.99Å; F327-Y333 HydrophobicContact CD2-CD2 3.99Å; F327-Y333 HydrophobicContact CD2-CE2 4.22Å; F327-Y333 VanDerWaalsContact CE1-CB 3.5Å; F327-Y333 AromaticContact CE1-CD1 3.86Å; F327-Y333 HydrophobicContact CE1-CD1 3.86Å; F327-Y333 AromaticContact CE1-CD2 3.79Å; F327-Y333 HydrophobicContact CE1-CD2 3.79Å; F327-Y333 HydrophobicContact CE1-CE2 4.5Å; F327-Y333 AromaticContact CE1-CG 3.42Å; F327-Y333 HydrophobicContact CE1-CG 3.42Å; F327-Y333 VanDerWaalsContact CE1-CG 3.42Å; F327-Y333 HydrophobicContact CE2-CD1 4.34Å; F327-Y333 AromaticContact CE2-CD2 3.52Å; F327-Y333 HydrophobicContact CE2-CD2 3.52Å; F327-Y333 HydrophobicContact CE2-CE1 4.35Å; F327-Y333 AromaticContact CE2-CE2 3.52Å; F327-Y333 HydrophobicContact CE2-CE2 3.52Å; F327-Y333 AromaticContact CE2-CG 3.96Å; F327-Y333 HydrophobicContact CE2-CG 3.96Å; F327-Y333 AromaticContact CE2-CZ 3.96Å; F327-Y333 HydrophobicContact CG-CD2 4.32Å; F327-Y333 AromaticContact CZ-CD1 3.5Å; F327-Y333 HydrophobicContact CZ-CD1 3.5Å; F327-Y333 AromaticContact CZ-CD2 3.41Å; F327-Y333 HydrophobicContact CZ-CD2 3.41Å; F327-Y333 VanDerWaalsContact CZ-CD2 3.41Å; F327-Y333 AromaticContact CZ-CE1 3.79Å; F327-Y333 HydrophobicContact CZ-CE1 3.79Å; F327-Y333 AromaticContact CZ-CE2 3.69Å; F327-Y333 HydrophobicContact CZ-CE2 3.69Å; F327-Y333 AromaticContact CZ-CG 3.32Å; F327-Y333 HydrophobicContact CZ-CG 3.32Å; F327-Y333 AromaticContact CZ-CZ 3.88Å; E330-Y333 HydrophobicContact CB-CD2 3.9Å; E330-Y333 HydrophobicContact CB-CE2 4.28Å; E330-Y333 PolarHBondContact O-N 2.95Å; E330-Y333 VanDerWaalsContact OE2-CE2 3.32Å; E330-Y333 WeakPolarHBondContact OE2-CE2 3.26Å; E331-Y333 VanDerWaalsContact C-N 3.33Å
334	D	60.7	Low	65.6	Low	84 Å²	84	104.5 Å²	104.5	45%	0.449	51%	0.513	S	S	.	.			trans	-69.1	131.5	174.9	-171.2	28.3	0	0	0	111	R336	D334-R336 VanDerWaalsContact C-N 3.3Å; D334-R336 PolarHBondContact O-N 2.96Å
335	I	68.3	Low	63.7	Low	132 Å²	132	109.7 Å²	109.7	68%	0.677	53%	0.525	S	S	*	.			trans	-81.8	81.3	-178.1	-54.2	175.6	0	0	0	108.1	V196	V196-I335 HydrophobicContact CG1-CG2 4.45Å
336	R	69.1	Low	61.9	Low	99 Å²	99	110.9 Å²	110.9	37%	0.374	53%	0.528	S	S	.	.			trans	-126.4	137.3	-179.4	60.9	-177.7	175.2	173.5	-3.8	112.6	E331 D334 Q338	E331-R336 PolarHBondContact O-NH2 2.79Å; E331-R336 IonicContact OE2-CZ 2.63Å; E331-R336 IonicContact OE2-NH1 3.78Å; E331-R336 IonicContact OE2-NH2 2.71Å; E331-R336 PolarHBondContact OE2-NH2 3.43Å; E331-R336 VanDerWaalsContact OE2-NH2 3.08Å; D334-R336 VanDerWaalsContact C-N 3.3Å; D334-R336 PolarHBondContact O-N 2.96Å; R336-Q338 HydrophobicContact CG-CG 4.32Å; R336-Q338 PolarHBondContact O-N 3.4Å
337	T	73	Confident	60.1	Low	72 Å²	72	111.2 Å²	111.2	44%	0.442	53%	0.525	S	S	.	.			trans	-84.5	109.2	169.9	-56.9	0	0	0	0	108.7	L189 N192 V339	L189-T337 HydrophobicContact CD2-CG2 3.68Å; N192-T337 WeakPolarHBondContact OD1-CG2 3.34Å; N192-T337 PolarHBondContact OD1-OG1 2.87Å; T337-V339 HydrophobicContact CG2-CG2 4.36Å
338	Q	64.5	Low	58.6	Low	150 Å²	150	112.5 Å²	112.5	70%	0.701	53%	0.526	S	S	*	.			trans	-86.7	119.6	175.7	-65.9	-175.4	3.6	0	0	110.4	R336	R336-Q338 HydrophobicContact CG-CG 4.32Å; R336-Q338 PolarHBondContact O-N 3.4Å
339	V	61.6	Low	57.4	Low	61 Å²	61	115.2 Å²	115.2	37%	0.37	54%	0.541	S	S	.	.			trans	-110.9	119.7	170.4	175.5	0	0	0	0	107.6	L189 T337 Y417	L189-V339 HydrophobicContact CD2-CG2 3.96Å; T337-V339 HydrophobicContact CG2-CG2 4.36Å; V339-Y417 VanDerWaalsContact CB-OH 3.26Å; V339-Y417 WeakPolarHBondContact CB-OH 3.47Å; V339-Y417 HydrophobicContact CG1-CE1 4.41Å
340	S	61	Low	56.7	Low	82 Å²	82	109.8 Å²	109.8	57%	0.573	53%	0.534	S	S	*	.			trans	-115.1	135.6	173.8	75.5	0	0	0	0	108.8	I342 R348	S340-I342 PolarHBondContact O-N 2.87Å; S340-R348 PolarHBondContact OG-NH2 3.12Å
341	A	54.6	Low	56.6	Low	18 Å²	18	109.4 Å²	109.4	15%	0.149	53%	0.531	C	S	.	.			trans	-66.3	126.9	175.8	0	0	0	0	0	109.1	V343 R348 L418	A341-V343 HydrophobicContact CB-CG2 3.38Å; A341-V343 PolarHBondContact O-N 3.48Å; A341-R348 PolarHBondContact O-NE 3.26Å; A341-R348 PolarHBondContact O-NH2 3.43Å; A341-L418 HydrophobicContact CB-CB 3.78Å; A341-L418 HydrophobicContact CB-CD1 4Å; A341-L418 HydrophobicContact CB-CD2 3.75Å; A341-L418 HydrophobicContact CB-CG 4.01Å
342	I	55.4	Low	57.7	Low	161 Å²	161	109.4 Å²	109.4	83%	0.826	54%	0.54	S	S	*	.			trans	-72.9	73	167	-54.2	174.4	0	0	0	106.8	S340	S340-I342 PolarHBondContact O-N 2.87Å
343	V	50.5	Low	58.9	Low	33 Å²	33	105.5 Å²	105.5	20%	0.2	52%	0.521	C	S	.	.			trans	-81.7	126.8	175.8	-172.8	0	0	0	0	106.8	A341 R345 Y347 R348	A341-V343 HydrophobicContact CB-CG2 3.38Å; A341-V343 PolarHBondContact O-N 3.48Å; V343-R345 PolarHBondContact O-N 2.86Å; V343-Y347 VanDerWaalsContact CG1-CB 3.49Å; V343-Y347 HydrophobicContact CG1-CD2 4.11Å; V343-Y347 HydrophobicContact CG1-CG 4.29Å; V343-R348 HydrophobicContact CB-CB 4.35Å; V343-R348 HydrophobicContact CB-CG 4Å; V343-R348 HydrophobicContact CG1-CB 4.5Å
344	Q	48	Very low	60.3	Low	122 Å²	122	101.4 Å²	101.4	57%	0.57	51%	0.506	S	S	*	.			trans	-48.3	135.8	171.7	-71.5	-178.2	-19.6	0	0	109.4	K346 Y347	Q344-K346 HydrophobicContact CB-CG 4.03Å; Q344-K346 PolarHBondContact O-N 3.32Å; Q344-Y347 HydrophobicContact CB-CD2 4.1Å; Q344-Y347 HydrophobicContact CB-CE2 4.29Å; Q344-Y347 PolarHBondContact O-N 3.17Å
345	R	44.4	Very low	61.6	Low	223 Å²	223	107.8 Å²	107.8	84%	0.842	52%	0.524	S	S	*	.	H	α-helix	trans	-45.7	-34.1	-173.7	-138.1	179	-153.9	132.6	1.9	113.4	V343 Y347 R348	V343-R345 PolarHBondContact O-N 2.86Å; R345-Y347 PolarHBondContact O-N 3.08Å; R345-R348 PolarHBondContact O-N 2.85Å
346	K	43	Very low	62.5	Low	123 Å²	123	104.7 Å²	104.7	54%	0.535	51%	0.512	S	S	.	.	H	α-helix	trans	-60	-21	176.9	59.3	166.6	166.7	167	0	115.6	Q344 S350	Q344-K346 HydrophobicContact CB-CG 4.03Å; Q344-K346 PolarHBondContact O-N 3.32Å; K346-S350 PolarHBondContact O-OG 2.89Å
347	Y	45	Very low	63.5	Low	140 Å²	140	102.3 Å²	102.3	55%	0.549	50%	0.502	S	S	.	.	H	α-helix	trans	-110.7	-6.5	176.6	-43.2	-76.5	0	0	0	113.4	V343 Q344 R345	V343-Y347 VanDerWaalsContact CG1-CB 3.49Å; V343-Y347 HydrophobicContact CG1-CD2 4.11Å; V343-Y347 HydrophobicContact CG1-CG 4.29Å; Q344-Y347 HydrophobicContact CB-CD2 4.1Å; Q344-Y347 HydrophobicContact CB-CE2 4.29Å; Q344-Y347 PolarHBondContact O-N 3.17Å; R345-Y347 PolarHBondContact O-N 3.08Å
348	R	46.1	Very low	64.3	Low	130 Å²	130	104.5 Å²	104.5	49%	0.491	51%	0.512	S	S	.	.	H	α-helix	trans	-91.2	-13.5	-174.1	-134.4	177.4	-164.8	-151.9	5.7	113.9	S340 A341 V343 R345	S340-R348 PolarHBondContact OG-NH2 3.12Å; A341-R348 PolarHBondContact O-NE 3.26Å; A341-R348 PolarHBondContact O-NH2 3.43Å; V343-R348 HydrophobicContact CB-CB 4.35Å; V343-R348 HydrophobicContact CB-CG 4Å; V343-R348 HydrophobicContact CG1-CB 4.5Å; R345-R348 PolarHBondContact O-N 2.85Å
349	T	46.5	Very low	65.5	Low	120 Å²	120	100.8 Å²	100.8	74%	0.736	49%	0.494	S	S	*	.	S	Bend	trans	-150.7	16	-167.1	8.2	0	0	0	0	118.1
350	S	54.3	Low	67	Low	89 Å²	89	98 Å²	98	62%	0.622	48%	0.477	S	S	*	.			trans	-143.7	-7	-173.5	58.1	0	0	0	0	118.9	K346 P352	K346-S350 PolarHBondContact O-OG 2.89Å; S350-P352 WeakPolarHBondContact O-CD 3.3Å
351	K	66.6	Low	68.4	Low	102 Å²	102	96.1 Å²	96.1	44%	0.443	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-82.5	122.3	176.4	-74.4	-163.9	174.6	-167.4	0	110.4	R420	K351-R420 PolarHBondContact O-NH1 3.47Å; K351-R420 PolarHBondContact O-NH2 3.43Å
352	P	81.1	Confident	70.1	Confident	104 Å²	104	101.3 Å²	101.3	68%	0.675	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-56.7	158.6	176.1	24.9	-32.8	0	0	0	110.8	S350 R420	S350-P352 WeakPolarHBondContact O-CD 3.3Å; P352-R420 PolarHBondContact O-NH1 2.98Å
353	E	85	Confident	71.8	Confident	76 Å²	76	95.3 Å²	95.3	36%	0.355	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-65.8	131.4	170.1	-69.8	-61.2	160.8	0	0	109	R420 Y490 N492	E353-R420 IonicContact OE1-NH2 3.84Å; E353-Y490 VanDerWaalsContact OE2-CE1 3.24Å; E353-Y490 WeakPolarHBondContact OE2-CE1 3.33Å; E353-Y490 PolarHBondContact OE2-OH 3.45Å; E353-N492 PolarHBondContact OE1-ND2 3.42Å
354	P	88	Confident	73.8	Confident	8 Å²	8	96.3 Å²	96.3	5%	0.052	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-61.2	142.8	178.7	26.7	-34.9	0	0	0	110.8	E359 F360 Y363 Y490	P354-E359 WeakPolarHBondContact CA-OE2 3.5Å; P354-E359 HydrophobicContact CB-CB 3.55Å; P354-F360 HydrophobicContact CB-CD1 3.99Å; P354-F360 HydrophobicContact CB-CD2 4.08Å; P354-F360 HydrophobicContact CB-CE1 4.06Å; P354-F360 HydrophobicContact CB-CE2 4.13Å; P354-F360 HydrophobicContact CB-CG 3.99Å; P354-F360 HydrophobicContact CB-CZ 4.1Å; P354-F360 HydrophobicContact CG-CD1 3.53Å; P354-F360 HydrophobicContact CG-CD2 4.45Å; P354-F360 HydrophobicContact CG-CE1 3.39Å; P354-F360 HydrophobicContact CG-CE2 4.32Å; P354-F360 HydrophobicContact CG-CG 4.07Å; P354-F360 HydrophobicContact CG-CZ 3.79Å; P354-F360 WeakPolarHBondContact O-CZ 3.5Å; P354-Y363 HydrophobicContact CB-CE2 4.42Å; P354-Y363 HydrophobicContact CG-CD2 4.38Å; P354-Y363 HydrophobicContact CG-CE2 4.13Å; P354-Y490 WeakPolarHBondContact CD-OH 3.29Å; P354-Y490 HydrophobicContact CG-CD2 4.45Å; P354-Y490 HydrophobicContact CG-CE1 4.28Å; P354-Y490 HydrophobicContact CG-CE2 3.92Å
355	R	87.5	Confident	75.9	Confident	219 Å²	219	91.5 Å²	91.5	83%	0.826	44%	0.44	S	S	*	.			trans	-121.5	-29.3	-178.6	-62.9	-175.8	178.8	-170.4	-1.3	112.8	E359	R355-E359 PolarHBondContact N-OE2 2.66Å
356	T	88.3	Confident	78	Confident	67 Å²	67	85.7 Å²	85.7	41%	0.411	43%	0.426	S	S	.	.	S	Bend	trans	-107.7	155.6	178.2	66.5	0	0	0	0	110.3	D358 E359 F360	T356-D358 PolarHBondContact O-N 3.25Å; T356-E359 WeakPolarHBondContact O-CB 3.36Å; T356-E359 PolarHBondContact O-N 2.84Å; T356-E359 WeakPolarHBondContact OG1-CG 3.49Å; T356-E359 PolarHBondContact OG1-N 3.07Å; T356-F360 WeakPolarHBondContact O-CD2 3.46Å; T356-F360 PolarHBondContact O-N 3.02Å
357	R	90	Very high	80.4	Confident	48 Å²	48	79.9 Å²	79.9	18%	0.181	40%	0.4	C	S	.	.	H	α-helix	trans	-53	-42.3	176.4	-172.7	176.4	-178.8	-101	1.4	111.5	E359 F360 L361 E424 M508	R357-E359 VanDerWaalsContact C-N 3.27Å; R357-E359 PolarHBondContact O-N 3.16Å; R357-F360 WeakPolarHBondContact O-CA 3.43Å; R357-F360 WeakPolarHBondContact O-CB 3.39Å; R357-F360 PolarHBondContact O-N 2.83Å; R357-L361 HydrophobicContact CG-CD1 4.22Å; R357-L361 HydrophobicContact CG-CG 4.26Å; R357-L361 VanDerWaalsContact O-CG 3.29Å; R357-L361 WeakPolarHBondContact O-CG 3.34Å; R357-L361 PolarHBondContact O-N 3.43Å; R357-E424 IonicContact CZ-OE1 2.8Å; R357-E424 IonicContact CZ-OE2 3.56Å; R357-E424 IonicContact NE-OE1 3.92Å; R357-E424 PolarHBondContact NE-OE1 3.46Å; R357-E424 IonicContact NE-OE2 3.42Å; R357-E424 IonicContact NH2-OE1 3.91Å; R357-E424 PolarHBondContact NH2-OE1 3.45Å; R357-E424 IonicContact NH2-OE2 3.56Å; R357-E424 PolarHBondContact NH2-OE2 2.97Å; R357-M508 HydrophobicContact CB-SD 4.41Å
358	D	88.3	Confident	82.8	Confident	119 Å²	119	74.1 Å²	74.1	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-59.9	-35	177.3	-62.4	-27.2	0	0	0	113.3	T356	T356-D358 PolarHBondContact O-N 3.25Å
359	E	91.4	Very high	85.3	Confident	72 Å²	72	67.9 Å²	67.9	34%	0.336	36%	0.356	S	S	.	.	H	α-helix	trans	-72.7	-36.8	174.4	-68.8	175	173.4	0	0	111.8	P354 R355 T356 R357 Q362 Y363	P354-E359 WeakPolarHBondContact CA-OE2 3.5Å; P354-E359 HydrophobicContact CB-CB 3.55Å; R355-E359 PolarHBondContact N-OE2 2.66Å; T356-E359 WeakPolarHBondContact O-CB 3.36Å; T356-E359 PolarHBondContact O-N 2.84Å; T356-E359 WeakPolarHBondContact OG1-CG 3.49Å; T356-E359 PolarHBondContact OG1-N 3.07Å; R357-E359 VanDerWaalsContact C-N 3.27Å; R357-E359 PolarHBondContact O-N 3.16Å; E359-Q362 WeakPolarHBondContact O-CB 3.45Å; E359-Q362 PolarHBondContact O-N 2.79Å; E359-Y363 WeakPolarHBondContact O-CD2 3.41Å
360	F	91.9	Very high	87.7	Confident	1 Å²	1	63.5 Å²	63.5	0%	0.004	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-39.9	173.4	-77.2	-76.5	0	0	0	112.3	P354 T356 R357 Q362 Y363 Y422 Y490 Y501 M508	P354-F360 HydrophobicContact CB-CD1 3.99Å; P354-F360 HydrophobicContact CB-CD2 4.08Å; P354-F360 HydrophobicContact CB-CE1 4.06Å; P354-F360 HydrophobicContact CB-CE2 4.13Å; P354-F360 HydrophobicContact CB-CG 3.99Å; P354-F360 HydrophobicContact CB-CZ 4.1Å; P354-F360 HydrophobicContact CG-CD1 3.53Å; P354-F360 HydrophobicContact CG-CD2 4.45Å; P354-F360 HydrophobicContact CG-CE1 3.39Å; P354-F360 HydrophobicContact CG-CE2 4.32Å; P354-F360 HydrophobicContact CG-CG 4.07Å; P354-F360 HydrophobicContact CG-CZ 3.79Å; P354-F360 WeakPolarHBondContact O-CZ 3.5Å; T356-F360 WeakPolarHBondContact O-CD2 3.46Å; T356-F360 PolarHBondContact O-N 3.02Å; R357-F360 WeakPolarHBondContact O-CA 3.43Å; R357-F360 WeakPolarHBondContact O-CB 3.39Å; R357-F360 PolarHBondContact O-N 2.83Å; F360-Q362 PolarHBondContact O-N 3.08Å; F360-Q362 VanDerWaalsContact O-N 3.15Å; F360-Y363 WeakPolarHBondContact O-CA 3.5Å; F360-Y363 WeakPolarHBondContact O-CB 3.47Å; F360-Y363 PolarHBondContact O-N 3.07Å; F360-Y422 HydrophobicContact CB-CD1 3.94Å; F360-Y422 HydrophobicContact CB-CD2 3.87Å; F360-Y422 HydrophobicContact CB-CE1 4Å; F360-Y422 HydrophobicContact CB-CE2 3.92Å; F360-Y422 HydrophobicContact CB-CG 3.86Å; F360-Y422 AromaticContact CD1-CD2 3.79Å; F360-Y422 HydrophobicContact CD1-CD2 3.79Å; F360-Y422 HydrophobicContact CD1-CE2 4.03Å; F360-Y422 HydrophobicContact CD1-CG 4.42Å; F360-Y422 HydrophobicContact CG-CD2 4.12Å; F360-Y422 HydrophobicContact CG-CE2 4.07Å; F360-Y422 WeakPolarHBondContact O-CB 3.38Å; F360-Y490 AromaticContact CD1-CD2 3.73Å; F360-Y490 HydrophobicContact CD1-CD2 3.73Å; F360-Y490 HydrophobicContact CD1-CE2 4.37Å; F360-Y490 AromaticContact CD1-CG 3.82Å; F360-Y490 HydrophobicContact CD1-CG 3.82Å; F360-Y490 AromaticContact CE1-CD1 3.9Å; F360-Y490 HydrophobicContact CE1-CD1 3.9Å; F360-Y490 AromaticContact CE1-CD2 3.89Å; F360-Y490 HydrophobicContact CE1-CD2 3.89Å; F360-Y490 HydrophobicContact CE1-CE1 4.47Å; F360-Y490 HydrophobicContact CE1-CE2 4.48Å; F360-Y490 AromaticContact CE1-CG 3.55Å; F360-Y490 HydrophobicContact CE1-CG 3.55Å; F360-Y501 HydrophobicContact CE1-CD2 4.36Å; F360-Y501 AromaticContact CE1-CE2 3.69Å; F360-Y501 HydrophobicContact CE1-CE2 3.69Å; F360-Y501 HydrophobicContact CE2-CE1 4.46Å; F360-Y501 HydrophobicContact CE2-CE2 4.48Å; F360-Y501 HydrophobicContact CZ-CD2 4.25Å; F360-Y501 HydrophobicContact CZ-CE1 4.01Å; F360-Y501 AromaticContact CZ-CE2 3.55Å; F360-Y501 HydrophobicContact CZ-CE2 3.55Å; F360-Y501 AromaticContact CZ-CZ 3.43Å; F360-Y501 VanDerWaalsContact CZ-CZ 3.43Å; F360-M508 HydrophobicContact CB-CE 4.5Å; F360-M508 HydrophobicContact CD1-CE 4.27Å; F360-M508 HydrophobicContact CD2-CE 3.46Å; F360-M508 VanDerWaalsContact CD2-CE 3.46Å; F360-M508 HydrophobicContact CD2-SD 3.36Å; F360-M508 WeakPolarHBondContact CD2-SD 3.39Å; F360-M508 HydrophobicContact CE1-CE 4.4Å; F360-M508 HydrophobicContact CE2-CE 3.64Å; F360-M508 HydrophobicContact CE2-SD 3.54Å; F360-M508 VanDerWaalsContact CE2-SD 3.54Å; F360-M508 HydrophobicContact CG-CE 3.83Å; F360-M508 HydrophobicContact CG-SD 4.25Å; F360-M508 HydrophobicContact CZ-CE 4.13Å
361	L	91.5	Very high	89.7	Confident	44 Å²	44	61 Å²	61	23%	0.23	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-19.8	179.4	-71.1	175.6	0	0	0	113.2	R357 Y363 A364 Y422 L540	R357-L361 HydrophobicContact CG-CD1 4.22Å; R357-L361 HydrophobicContact CG-CG 4.26Å; R357-L361 VanDerWaalsContact O-CG 3.29Å; R357-L361 WeakPolarHBondContact O-CG 3.34Å; R357-L361 PolarHBondContact O-N 3.43Å; L361-Y363 PolarHBondContact O-N 3.16Å; L361-Y363 VanDerWaalsContact O-N 3.17Å; L361-A364 WeakPolarHBondContact O-CB 3.42Å; L361-A364 PolarHBondContact O-N 2.8Å; L361-A364 VanDerWaalsContact O-N 3.08Å; L361-Y422 HydrophobicContact CD2-CD1 4.31Å; L361-Y422 HydrophobicContact CD2-CE1 4.14Å; L361-L540 HydrophobicContact CD2-CB 3.91Å; L361-L540 HydrophobicContact CD2-CD1 4.21Å; L361-L540 HydrophobicContact CD2-CD2 3.93Å; L361-L540 HydrophobicContact CD2-CG 4.24Å
362	Q	89.9	Confident	91	Very high	127 Å²	127	59.7 Å²	59.7	59%	0.593	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.5	170.3	-61.8	178.6	34.9	0	0	113.3	E359 F360	E359-Q362 WeakPolarHBondContact O-CB 3.45Å; E359-Q362 PolarHBondContact O-N 2.79Å; F360-Q362 PolarHBondContact O-N 3.08Å; F360-Q362 VanDerWaalsContact O-N 3.15Å
363	Y	91.1	Very high	91.8	Very high	35 Å²	35	55 Å²	55	14%	0.137	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	10.9	177.9	-53.8	-70	0	0	0	112.2	P354 E359 F360 L361 C365 R420 Y421 Y422 Y490	P354-Y363 HydrophobicContact CB-CE2 4.42Å; P354-Y363 HydrophobicContact CG-CD2 4.38Å; P354-Y363 HydrophobicContact CG-CE2 4.13Å; E359-Y363 WeakPolarHBondContact O-CD2 3.41Å; F360-Y363 WeakPolarHBondContact O-CA 3.5Å; F360-Y363 WeakPolarHBondContact O-CB 3.47Å; F360-Y363 PolarHBondContact O-N 3.07Å; L361-Y363 PolarHBondContact O-N 3.16Å; L361-Y363 VanDerWaalsContact O-N 3.17Å; Y363-C365 PolarHBondContact O-N 3.41Å; Y363-R420 HydrophobicContact CD1-CB 3.46Å; Y363-R420 VanDerWaalsContact CD1-CB 3.46Å; Y363-R420 HydrophobicContact CE1-CB 3.77Å; Y363-R420 HydrophobicContact CE1-CG 4.38Å; Y363-R420 HydrophobicContact CG-CB 3.95Å; Y363-R420 PolarHBondContact OH-NH1 2.85Å; Y363-Y421 CarbonylContact O-C 3.5Å; Y363-Y421 WeakPolarHBondContact O-CA 3.43Å; Y363-Y422 PolarHBondContact O-N 3.38Å; Y363-Y490 AromaticContact CD2-CE2 3.94Å; Y363-Y490 HydrophobicContact CD2-CE2 3.94Å; Y363-Y490 HydrophobicContact CE2-CE2 4.43Å; Y363-Y490 HydrophobicContact CG-CE2 4.29Å
364	A	92.2	Very high	92.3	Very high	53 Å²	53	51.3 Å²	51.3	44%	0.438	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-46	127.4	176.4	0	0	0	0	0	111.9	L361 Y422 L540	L361-A364 WeakPolarHBondContact O-CB 3.42Å; L361-A364 PolarHBondContact O-N 2.8Å; L361-A364 VanDerWaalsContact O-N 3.08Å; A364-Y422 CarbonylContact C-O 3.47Å; A364-Y422 VanDerWaalsContact CA-O 3.31Å; A364-Y422 WeakPolarHBondContact CA-O 3.26Å; A364-L540 HydrophobicContact CB-CD1 3.29Å
365	C	91	Very high	92.7	Very high	22 Å²	22	51.5 Å²	51.5	15%	0.149	26%	0.26	C	S	.	.			trans	-122.5	137.4	168.2	60.3	0	0	0	0	110.8	Y363 I367 Y421 Y422	Y363-C365 PolarHBondContact O-N 3.41Å; C365-I367 HydrophobicContact CB-CG2 4.49Å; C365-I367 PolarHBondContact O-N 2.84Å; C365-Y421 HydrophobicContact CB-CD1 3.9Å; C365-Y422 PolarHBondContact N-O 2.79Å; C365-Y422 PolarHBondContact SG-O 3.46Å
366	D	89.4	Confident	93.2	Very high	100 Å²	100	43.6 Å²	43.6	54%	0.535	23%	0.23	S	C	.	.			trans	-84.1	112.1	174	-166.7	27.9	0	0	0	109.4	R385	D366-R385 IonicContact OD1-CZ 3.87Å; D366-R385 IonicContact OD1-NH1 3.9Å; D366-R385 PolarHBondContact OD1-NH1 2.98Å; D366-R385 IonicContact OD1-NH2 3.42Å; D366-R385 PolarHBondContact OD1-NH2 2.82Å; D366-R385 IonicContact OD2-CZ 3.59Å; D366-R385 IonicContact OD2-NH2 3.08Å; D366-R385 PolarHBondContact OD2-NH2 3.43Å
367	I	93.7	Very high	93.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.222	C	C	.	.			trans	-117.4	149.1	-179	62.9	156.4	0	0	0	111.1	C365 Q414 L416 F423 A524 F526 I537	C365-I367 HydrophobicContact CB-CG2 4.49Å; C365-I367 PolarHBondContact O-N 2.84Å; I367-Q414 HydrophobicContact CG2-CB 4.32Å; I367-L416 HydrophobicContact CG2-CD2 4.4Å; I367-F423 HydrophobicContact CD1-CB 4.09Å; I367-F423 HydrophobicContact CD1-CD1 4.02Å; I367-F423 HydrophobicContact CD1-CD2 3.32Å; I367-F423 HydrophobicContact CD1-CE1 4.27Å; I367-F423 HydrophobicContact CD1-CE2 3.6Å; I367-F423 HydrophobicContact CD1-CG 3.54Å; I367-F423 HydrophobicContact CD1-CZ 4.06Å; I367-F423 HydrophobicContact CG1-CB 4.07Å; I367-F423 HydrophobicContact CG1-CD2 4.19Å; I367-F423 HydrophobicContact CG1-CG 4.07Å; I367-A524 HydrophobicContact CD1-CB 4.03Å; I367-F526 HydrophobicContact CD1-CZ 4.45Å; I367-I537 HydrophobicContact CD1-CD1 4.13Å; I367-I537 HydrophobicContact CD1-CG1 4.43Å; I367-I537 HydrophobicContact CD1-CG2 4.44Å; I367-I537 HydrophobicContact CG1-CD1 4.09Å; I367-I537 HydrophobicContact CG1-CG2 3.84Å
368	T	96	Very high	93.9	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.117	21%	0.213	C	C	.	.			trans	-134	152.5	177.3	51.8	0	0	0	0	109.6	S412 Q413 Q414	T368-S412 CarbonylContact O-C 3.54Å; T368-S412 WeakPolarHBondContact O-CA 3.34Å; T368-Q413 PolarHBondContact O-N 3.19Å; T368-Q413 PolarHBondContact OG1-OE1 3Å; T368-Q414 PolarHBondContact O-OE1 2.82Å; T368-Q414 PolarHBondContact OG1-NE2 2.86Å; T368-Q414 PolarHBondContact OG1-OE1 3.13Å
369	F	97.6	Very high	94.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-68.3	138.6	172.4	-62.7	-61.7	0	0	0	110.6	P371 L380 N384 R385 V387 V410 F526 I535 I537	F369-P371 VanDerWaalsContact O-CD 3.28Å; F369-P371 WeakPolarHBondContact O-CD 3.36Å; F369-L380 HydrophobicContact CB-CD1 4.14Å; F369-L380 HydrophobicContact CB-CD2 3.62Å; F369-L380 HydrophobicContact CD2-CD2 3.98Å; F369-L380 HydrophobicContact CG-CD2 3.96Å; F369-N384 HydrophobicContact CB-CB 4.37Å; F369-N384 WeakPolarHBondContact CB-O 3.5Å; F369-N384 WeakPolarHBondContact CD2-O 3.5Å; F369-N384 PolarHBondContact N-O 2.63Å; F369-N384 WeakPolarHBondContact O-CB 3.43Å; F369-R385 VanDerWaalsContact CE2-C 3.47Å; F369-R385 WeakPolarHBondContact CE2-O 3.35Å; F369-V387 HydrophobicContact CD1-CG1 4.44Å; F369-V387 HydrophobicContact CD2-CB 4.06Å; F369-V387 HydrophobicContact CD2-CG1 4.31Å; F369-V387 HydrophobicContact CE1-CB 4.5Å; F369-V387 HydrophobicContact CE1-CG1 3.84Å; F369-V387 HydrophobicContact CE2-CB 3.86Å; F369-V387 HydrophobicContact CE2-CG1 3.71Å; F369-V387 HydrophobicContact CZ-CB 4.11Å; F369-V387 HydrophobicContact CZ-CG1 3.46Å; F369-V387 VanDerWaalsContact CZ-CG1 3.46Å; F369-V410 HydrophobicContact CB-CG2 4Å; F369-V410 HydrophobicContact CD1-CG1 3.76Å; F369-V410 HydrophobicContact CD1-CG2 4.26Å; F369-V410 HydrophobicContact CE1-CG1 4.15Å; F369-V410 HydrophobicContact CG-CG1 4.45Å; F369-V410 HydrophobicContact CG-CG2 4.47Å; F369-F526 AromaticContact CD1-CD2 3.85Å; F369-F526 HydrophobicContact CD1-CD2 3.85Å; F369-F526 HydrophobicContact CD1-CE2 4.01Å; F369-F526 HydrophobicContact CE1-CB 4.36Å; F369-F526 HydrophobicContact CE1-CD1 4.22Å; F369-F526 AromaticContact CE1-CD2 3.38Å; F369-F526 HydrophobicContact CE1-CD2 3.38Å; F369-F526 HydrophobicContact CE1-CE1 4.35Å; F369-F526 AromaticContact CE1-CE2 3.53Å; F369-F526 HydrophobicContact CE1-CE2 3.53Å; F369-F526 AromaticContact CE1-CG 3.72Å; F369-F526 HydrophobicContact CE1-CG 3.72Å; F369-F526 HydrophobicContact CE1-CZ 4.02Å; F369-I535 HydrophobicContact CZ-CG2 4.24Å; F369-I537 HydrophobicContact CD1-CD1 4.14Å; F369-I537 HydrophobicContact CD2-CD1 4.05Å; F369-I537 HydrophobicContact CE1-CD1 3.92Å; F369-I537 HydrophobicContact CE1-CG1 4.26Å; F369-I537 HydrophobicContact CE2-CD1 3.82Å; F369-I537 HydrophobicContact CE2-CG1 3.98Å; F369-I537 HydrophobicContact CG-CD1 4.19Å; F369-I537 HydrophobicContact CZ-CD1 3.75Å; F369-I537 HydrophobicContact CZ-CG1 3.73Å
370	D	96.6	Very high	94.6	Very high	27 Å²	27	38.5 Å²	38.5	14%	0.144	19%	0.193	C	C	.	.			trans	-84.3	109.1	176.4	-174.8	-10.3	0	0	0	110.4	D372 T373 A374 L411 Q413	D370-D372 PolarHBondContact O-N 2.74Å; D370-D372 WeakPolarHBondContact OD1-CB 3.43Å; D370-D372 PolarHBondContact OD1-N 3.37Å; D370-T373 HydrophobicContact CB-CG2 4.07Å; D370-T373 PolarHBondContact O-N 2.91Å; D370-T373 VanDerWaalsContact O-N 3.12Å; D370-T373 PolarHBondContact O-OG1 2.83Å; D370-T373 WeakPolarHBondContact OD2-CG2 3.16Å; D370-A374 PolarHBondContact O-N 2.84Å; D370-L411 WeakPolarHBondContact CB-O 3.49Å; D370-L411 PolarHBondContact N-O 2.96Å; D370-Q413 HydrophobicContact CB-CB 4.23Å
371	P	96.2	Very high	94.8	Very high	38 Å²	38	41.5 Å²	41.5	25%	0.247	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.2	179.2	27.2	-35.3	0	0	0	113.5	F369 T373 L380 R403	F369-P371 VanDerWaalsContact O-CD 3.28Å; F369-P371 WeakPolarHBondContact O-CD 3.36Å; P371-T373 VanDerWaalsContact C-N 3.3Å; P371-T373 PolarHBondContact O-N 3.44Å; P371-L380 HydrophobicContact CB-CD1 3.86Å; P371-R403 PolarHBondContact O-NH1 3.45Å
372	D	95.3	Very high	94.9	Very high	74 Å²	74	44 Å²	44	40%	0.396	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.4	-179.7	-67.2	-15.8	0	0	0	112.1	D370 L400 S402 R403	D370-D372 PolarHBondContact O-N 2.74Å; D370-D372 WeakPolarHBondContact OD1-CB 3.43Å; D370-D372 PolarHBondContact OD1-N 3.37Å; D372-L400 HydrophobicContact CB-CD1 3.58Å; D372-L400 VanDerWaalsContact CG-CD1 3.43Å; D372-L400 WeakPolarHBondContact OD1-CD1 3.48Å; D372-S402 PolarHBondContact O-OG 3.35Å; D372-R403 WeakPolarHBondContact O-CA 3.35Å; D372-R403 WeakPolarHBondContact O-CB 3.26Å; D372-R403 PolarHBondContact O-N 2.82Å
373	T	96.4	Very high	95	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.025	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-23.8	179.3	69	0	0	0	0	113.4	D370 P371 H375 F404 L411	D370-T373 HydrophobicContact CB-CG2 4.07Å; D370-T373 PolarHBondContact O-N 2.91Å; D370-T373 VanDerWaalsContact O-N 3.12Å; D370-T373 PolarHBondContact O-OG1 2.83Å; D370-T373 WeakPolarHBondContact OD2-CG2 3.16Å; P371-T373 VanDerWaalsContact C-N 3.3Å; P371-T373 PolarHBondContact O-N 3.44Å; T373-H375 PolarHBondContact O-N 3.14Å; T373-F404 VanDerWaalsContact O-CD2 3.29Å; T373-F404 WeakPolarHBondContact O-CD2 3.31Å; T373-F404 PolarHBondContact O-N 2.94Å; T373-L411 HydrophobicContact CG2-CB 4.25Å; T373-L411 HydrophobicContact CG2-CG 4.39Å; T373-L411 PolarHBondContact OG1-N 2.87Å
374	A	96.8	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.			trans	-60	127	-170.9	0	0	0	0	0	113	D370 L380 Y397 R403 V410	D370-A374 PolarHBondContact O-N 2.84Å; A374-L380 HydrophobicContact CB-CD1 4.22Å; A374-L380 HydrophobicContact CB-CG 4.39Å; A374-Y397 HydrophobicContact CB-CE2 4.28Å; A374-R403 VanDerWaalsContact O-CG 3.28Å; A374-R403 WeakPolarHBondContact O-CG 3.29Å; A374-R403 PolarHBondContact O-NH1 2.84Å; A374-V410 HydrophobicContact CB-CB 4.19Å; A374-V410 HydrophobicContact CB-CG2 3.77Å
375	H	96.6	Very high	95.4	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.051	23%	0.225	C	C	.	.			trans	-58.6	147.2	172.9	-179.1	-78	0	0	0	112	T373 Y377 L378 F404 L405 W407 Q409	T373-H375 PolarHBondContact O-N 3.14Å; H375-Y377 VanDerWaalsContact C-N 3.29Å; H375-Y377 AromaticContact CE1-CD2 3.38Å; H375-Y377 WeakPolarHBondContact CE1-CD2 3.47Å; H375-Y377 AromaticContact CE1-CG 3.76Å; H375-Y377 AromaticContact ND1-CD2 4Å; H375-Y377 PolarHBondContact ND1-N 3.43Å; H375-Y377 PolarHBondContact O-N 2.71Å; H375-Y377 VanDerWaalsContact O-N 3.15Å; H375-L378 HydrophobicContact CB-CD1 4.23Å; H375-L378 HydrophobicContact CB-CG 4.17Å; H375-L378 WeakPolarHBondContact O-CB 3.33Å; H375-L378 PolarHBondContact O-N 3.32Å; H375-F404 WeakPolarHBondContact CA-O 3.31Å; H375-F404 HydrophobicContact CB-CB 4.27Å; H375-F404 PolarHBondContact CD2-O 3.35Å; H375-L405 PolarHBondContact CD2-O 2.92Å; H375-L405 PolarHBondContact NE2-O 2.99Å; H375-W407 PolarHBondContact CD2-O 2.86Å; H375-W407 VanDerWaalsContact CD2-O 3.29Å; H375-Q409 PolarHBondContact N-O 3.02Å
376	R	96.4	Very high	95.7	Very high	54 Å²	54	48 Å²	48	20%	0.204	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.1	-174.3	-71.8	174.4	169.7	-93.6	-2.9	115.3	L378 E394 H395 D399	R376-L378 VanDerWaalsContact C-N 3.3Å; R376-L378 PolarHBondContact O-N 3.44Å; R376-E394 HydrophobicContact CB-CB 4.32Å; R376-E394 HydrophobicContact CB-CG 4.24Å; R376-E394 IonicContact NH1-OE2 2.99Å; R376-E394 CarbonylContact O-C 3.59Å; R376-E394 WeakPolarHBondContact O-CA 3.44Å; R376-H395 PolarHBondContact O-CD2 3.48Å; R376-H395 PolarHBondContact O-N 3.42Å; R376-D399 IonicContact CZ-OD1 3.56Å; R376-D399 IonicContact NE-OD1 3.91Å; R376-D399 IonicContact NH2-OD1 3.67Å; R376-D399 PolarHBondContact NH2-OD1 3.38Å; R376-D399 IonicContact NH2-OD2 2.69Å; R376-D399 PolarHBondContact NH2-OD2 2.73Å
377	Y	97	Very high	96.1	Very high	58 Å²	58	43.3 Å²	43.3	23%	0.227	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.5	174.1	-62.9	-36.2	0	0	0	115.6	H375 T390 T391 P392 E394	H375-Y377 VanDerWaalsContact C-N 3.29Å; H375-Y377 AromaticContact CE1-CD2 3.38Å; H375-Y377 WeakPolarHBondContact CE1-CD2 3.47Å; H375-Y377 AromaticContact CE1-CG 3.76Å; H375-Y377 AromaticContact ND1-CD2 4Å; H375-Y377 PolarHBondContact ND1-N 3.43Å; H375-Y377 PolarHBondContact O-N 2.71Å; H375-Y377 VanDerWaalsContact O-N 3.15Å; Y377-T390 PolarHBondContact O-N 3.21Å; Y377-T390 PolarHBondContact O-OG1 2.99Å; Y377-T391 WeakPolarHBondContact CB-OG1 3.21Å; Y377-T391 HydrophobicContact CD2-CG2 4.25Å; Y377-T391 WeakPolarHBondContact CD2-OG1 3.19Å; Y377-T391 HydrophobicContact CE2-CG2 4.42Å; Y377-P392 VanDerWaalsContact CE1-O 3.26Å; Y377-P392 WeakPolarHBondContact CE1-O 3.49Å; Y377-E394 HydrophobicContact CD1-CG 3.65Å; Y377-E394 HydrophobicContact CE1-CB 4.48Å; Y377-E394 HydrophobicContact CE1-CG 3.26Å
378	L	97.3	Very high	96.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.8	175.5	-62.1	-175.7	0	0	0	109.3	H375 R376 V387 T388 N389 H395 Y397 R408 Q409 V410 L528	H375-L378 HydrophobicContact CB-CD1 4.23Å; H375-L378 HydrophobicContact CB-CG 4.17Å; H375-L378 WeakPolarHBondContact O-CB 3.33Å; H375-L378 PolarHBondContact O-N 3.32Å; R376-L378 VanDerWaalsContact C-N 3.3Å; R376-L378 PolarHBondContact O-N 3.44Å; L378-V387 HydrophobicContact CB-CG2 3.8Å; L378-V387 HydrophobicContact CD1-CG2 3.99Å; L378-V387 HydrophobicContact CD2-CG2 4.26Å; L378-V387 HydrophobicContact CG-CG2 4.24Å; L378-T388 WeakPolarHBondContact CA-O 3.38Å; L378-N389 HydrophobicContact CD2-CB 4.01Å; L378-H395 PolarHBondContact O-CD2 2.87Å; L378-H395 VanDerWaalsContact O-CD2 3.25Å; L378-Y397 VanDerWaalsContact O-CE2 3.26Å; L378-Y397 WeakPolarHBondContact O-CE2 3.38Å; L378-Y397 PolarHBondContact O-OH 3.37Å; L378-R408 HydrophobicContact CD2-CB 4.15Å; L378-R408 HydrophobicContact CG-CB 4.49Å; L378-Q409 WeakPolarHBondContact CD1-O 3.42Å; L378-V410 HydrophobicContact CD1-CB 4.02Å; L378-V410 HydrophobicContact CD1-CG1 4.13Å; L378-L528 HydrophobicContact CD1-CD1 4.27Å; L378-L528 HydrophobicContact CD2-CB 4.1Å; L378-L528 HydrophobicContact CD2-CD1 3.98Å
379	R	97	Very high	96.3	Very high	121 Å²	121	43.4 Å²	43.4	46%	0.457	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.7	173.2	-166.2	179.4	-179.7	-179	-0.7	109.6	Q381 V387 T388 T390 H395	R379-Q381 HydrophobicContact CG-CG 4.03Å; R379-V387 WeakPolarHBondContact O-CA 3.49Å; R379-T388 PolarHBondContact N-O 3.21Å; R379-T388 PolarHBondContact O-N 2.87Å; R379-T390 HydrophobicContact CB-CG2 3.94Å; R379-H395 VanDerWaalsContact CB-NE2 3.34Å; R379-H395 WeakPolarHBondContact CB-NE2 3.27Å; R379-H395 VanDerWaalsContact CG-CE1 3.47Å; R379-H395 WeakPolarHBondContact CG-CE1 3.41Å
380	L	96.7	Very high	96.2	Very high	20 Å²	20	44.8 Å²	44.8	11%	0.105	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	137.9	166.8	-59	-176.8	0	0	0	111	F369 P371 A374 N384 K386 V387 Y397 V410	F369-L380 HydrophobicContact CB-CD1 4.14Å; F369-L380 HydrophobicContact CB-CD2 3.62Å; F369-L380 HydrophobicContact CD2-CD2 3.98Å; F369-L380 HydrophobicContact CG-CD2 3.96Å; P371-L380 HydrophobicContact CB-CD1 3.86Å; A374-L380 HydrophobicContact CB-CD1 4.22Å; A374-L380 HydrophobicContact CB-CG 4.39Å; L380-N384 WeakPolarHBondContact CB-OD1 3.28Å; L380-K386 CarbonylContact C-O 3.56Å; L380-K386 WeakPolarHBondContact CA-O 3.35Å; L380-V387 HydrophobicContact CD2-CB 3.78Å; L380-V387 HydrophobicContact CD2-CG2 3.81Å; L380-Y397 PolarHBondContact N-OH 3.39Å; L380-Y397 VanDerWaalsContact N-OH 3.16Å; L380-V410 HydrophobicContact CD2-CG2 4.47Å
381	Q	95.2	Very high	96.1	Very high	64 Å²	64	44.7 Å²	44.7	30%	0.299	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	170.4	-176.5	-55.8	179.9	-94.4	0	0	109.2	R379 D383 N384 R385 K386 T388	R379-Q381 HydrophobicContact CG-CG 4.03Å; Q381-D383 PolarHBondContact O-N 3.08Å; Q381-N384 PolarHBondContact O-N 3.34Å; Q381-R385 PolarHBondContact O-N 3.27Å; Q381-K386 HydrophobicContact CB-CB 4.23Å; Q381-K386 PolarHBondContact N-O 2.84Å; Q381-K386 PolarHBondContact O-N 2.84Å; Q381-T388 PolarHBondContact OE1-OG1 3.2Å; Q381-T388 VanDerWaalsContact OE1-OG1 3.07Å
382	E	93.7	Very high	95.9	Very high	95 Å²	95	47.3 Å²	47.3	44%	0.444	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	55.6	174.4	-61.4	170.2	-159.8	0	0	111.7	N384 R385 K386 R536	E382-N384 VanDerWaalsContact C-N 3.26Å; E382-N384 PolarHBondContact O-N 2.96Å; E382-R385 HydrophobicContact CB-CB 4.44Å; E382-R385 WeakPolarHBondContact O-CB 3.38Å; E382-R385 WeakPolarHBondContact O-CG 3.35Å; E382-R385 PolarHBondContact O-N 2.87Å; E382-K386 HydrophobicContact CB-CB 4.14Å; E382-K386 VanDerWaalsContact CD-CD 3.44Å; E382-K386 HydrophobicContact CG-CB 4.23Å; E382-K386 HydrophobicContact CG-CD 4.37Å; E382-K386 WeakPolarHBondContact OE1-CD 3.35Å; E382-K386 IonicContact OE1-NZ 2.8Å; E382-K386 PolarHBondContact OE1-NZ 2.95Å; E382-K386 VanDerWaalsContact OE1-NZ 3.08Å; E382-R536 WeakPolarHBondContact OE2-CD 3.48Å
383	D	93	Very high	95.8	Very high	153 Å²	153	52.9 Å²	52.9	82%	0.818	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	43.9	-177.2	-58.7	-29.6	0	0	0	113.7	Q381 R385	Q381-D383 PolarHBondContact O-N 3.08Å; D383-R385 VanDerWaalsContact C-N 3.25Å; D383-R385 PolarHBondContact O-N 3.2Å
384	N	95.3	Very high	95.7	Very high	50 Å²	50	57.8 Å²	57.8	27%	0.267	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	27.4	-175.5	-54.7	-34.5	0	0	0	114	F369 L380 Q381 E382	F369-N384 HydrophobicContact CB-CB 4.37Å; F369-N384 WeakPolarHBondContact CB-O 3.5Å; F369-N384 WeakPolarHBondContact CD2-O 3.5Å; F369-N384 PolarHBondContact N-O 2.63Å; F369-N384 WeakPolarHBondContact O-CB 3.43Å; L380-N384 WeakPolarHBondContact CB-OD1 3.28Å; Q381-N384 PolarHBondContact O-N 3.34Å; E382-N384 VanDerWaalsContact C-N 3.26Å; E382-N384 PolarHBondContact O-N 2.96Å
385	R	96	Very high	95.6	Very high	61 Å²	61	59.5 Å²	59.5	23%	0.23	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-8.7	170.3	-62.7	-174.7	178.5	-92.1	-5.6	113.6	D366 F369 Q381 E382 D383 R536 I537	D366-R385 IonicContact OD1-CZ 3.87Å; D366-R385 IonicContact OD1-NH1 3.9Å; D366-R385 PolarHBondContact OD1-NH1 2.98Å; D366-R385 IonicContact OD1-NH2 3.42Å; D366-R385 PolarHBondContact OD1-NH2 2.82Å; D366-R385 IonicContact OD2-CZ 3.59Å; D366-R385 IonicContact OD2-NH2 3.08Å; D366-R385 PolarHBondContact OD2-NH2 3.43Å; F369-R385 VanDerWaalsContact CE2-C 3.47Å; F369-R385 WeakPolarHBondContact CE2-O 3.35Å; Q381-R385 PolarHBondContact O-N 3.27Å; E382-R385 HydrophobicContact CB-CB 4.44Å; E382-R385 WeakPolarHBondContact O-CB 3.38Å; E382-R385 WeakPolarHBondContact O-CG 3.35Å; E382-R385 PolarHBondContact O-N 2.87Å; D383-R385 VanDerWaalsContact C-N 3.25Å; D383-R385 PolarHBondContact O-N 3.2Å; R385-R536 CarbonylContact O-C 3.59Å; R385-R536 WeakPolarHBondContact O-CA 3.34Å; R385-I537 HydrophobicContact CB-CB 4.42Å; R385-I537 PolarHBondContact O-N 2.97Å
386	K	97.2	Very high	95.5	Very high	59 Å²	59	65.1 Å²	65.1	26%	0.257	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.8	175.8	-175.8	171.9	179.1	172	0	111.9	L380 Q381 E382 I535 R536	L380-K386 CarbonylContact C-O 3.56Å; L380-K386 WeakPolarHBondContact CA-O 3.35Å; Q381-K386 HydrophobicContact CB-CB 4.23Å; Q381-K386 PolarHBondContact N-O 2.84Å; Q381-K386 PolarHBondContact O-N 2.84Å; E382-K386 HydrophobicContact CB-CB 4.14Å; E382-K386 VanDerWaalsContact CD-CD 3.44Å; E382-K386 HydrophobicContact CG-CB 4.23Å; E382-K386 HydrophobicContact CG-CD 4.37Å; E382-K386 WeakPolarHBondContact OE1-CD 3.35Å; E382-K386 IonicContact OE1-NZ 2.8Å; E382-K386 PolarHBondContact OE1-NZ 2.95Å; E382-K386 VanDerWaalsContact OE1-NZ 3.08Å; K386-I535 WeakPolarHBondContact CA-O 3.12Å; K386-R536 HydrophobicContact CB-CB 4.49Å; K386-R536 HydrophobicContact CB-CG 4.29Å; K386-R536 HydrophobicContact CG-CB 4.36Å
387	V	97.8	Very high	95.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.4	174.3	63.9	0	0	0	0	110.2	F369 L378 R379 L380 V410 L528 A534 I535	F369-V387 HydrophobicContact CD1-CG1 4.44Å; F369-V387 HydrophobicContact CD2-CB 4.06Å; F369-V387 HydrophobicContact CD2-CG1 4.31Å; F369-V387 HydrophobicContact CE1-CB 4.5Å; F369-V387 HydrophobicContact CE1-CG1 3.84Å; F369-V387 HydrophobicContact CE2-CB 3.86Å; F369-V387 HydrophobicContact CE2-CG1 3.71Å; F369-V387 HydrophobicContact CZ-CB 4.11Å; F369-V387 HydrophobicContact CZ-CG1 3.46Å; F369-V387 VanDerWaalsContact CZ-CG1 3.46Å; L378-V387 HydrophobicContact CB-CG2 3.8Å; L378-V387 HydrophobicContact CD1-CG2 3.99Å; L378-V387 HydrophobicContact CD2-CG2 4.26Å; L378-V387 HydrophobicContact CG-CG2 4.24Å; R379-V387 WeakPolarHBondContact O-CA 3.49Å; L380-V387 HydrophobicContact CD2-CB 3.78Å; L380-V387 HydrophobicContact CD2-CG2 3.81Å; V387-V410 HydrophobicContact CB-CG1 4.45Å; V387-V410 HydrophobicContact CG1-CG1 4.25Å; V387-V410 HydrophobicContact CG2-CG1 4.13Å; V387-L528 HydrophobicContact CG1-CD1 3.7Å; V387-L528 HydrophobicContact CG1-CD2 4.2Å; V387-L528 HydrophobicContact CG2-CD1 4.04Å; V387-A534 CarbonylContact O-C 3.52Å; V387-A534 WeakPolarHBondContact O-CA 3.37Å; V387-A534 WeakPolarHBondContact O-CB 3.32Å; V387-I535 HydrophobicContact CG1-CB 3.92Å; V387-I535 PolarHBondContact N-O 2.88Å; V387-I535 PolarHBondContact O-N 3.38Å
388	T	97.7	Very high	95.1	Very high	22 Å²	22	65.3 Å²	65.3	14%	0.135	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.8	178.8	-54.1	0	0	0	0	110.1	L378 R379 Q381 T390 N533 A534	L378-T388 WeakPolarHBondContact CA-O 3.38Å; R379-T388 PolarHBondContact N-O 3.21Å; R379-T388 PolarHBondContact O-N 2.87Å; Q381-T388 PolarHBondContact OE1-OG1 3.2Å; Q381-T388 VanDerWaalsContact OE1-OG1 3.07Å; T388-T390 HydrophobicContact CG2-CG2 4.42Å; T388-T390 PolarHBondContact O-N 2.9Å; T388-N533 WeakPolarHBondContact CA-O 3.41Å; T388-A534 HydrophobicContact CG2-CB 4.29Å
389	N	97.1	Very high	94.8	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	113.7	172.2	-179.4	-13.1	0	0	0	111	L378 T391 R408 L528 K530 E532 N533	L378-N389 HydrophobicContact CD2-CB 4.01Å; N389-T391 VanDerWaalsContact OD1-CB 3.28Å; N389-T391 WeakPolarHBondContact OD1-CB 3.48Å; N389-T391 PolarHBondContact OD1-N 3.44Å; N389-T391 PolarHBondContact OD1-OG1 3.44Å; N389-R408 WeakPolarHBondContact ND2-CD 3.39Å; N389-L528 HydrophobicContact CB-CB 3.91Å; N389-L528 PolarHBondContact ND2-O 3.24Å; N389-K530 VanDerWaalsContact CB-O 3.31Å; N389-K530 WeakPolarHBondContact CB-O 3.06Å; N389-K530 PolarHBondContact ND2-O 3.21Å; N389-K530 VanDerWaalsContact ND2-O 3.09Å; N389-E532 PolarHBondContact O-N 3.48Å; N389-N533 PolarHBondContact N-O 3.48Å
390	T	96.1	Very high	94.7	Very high	28 Å²	28	68.3 Å²	68.3	17%	0.172	35%	0.35	C	S	.	.			trans	-106.2	20.6	-178	59.5	0	0	0	0	113.7	Y377 R379 T388 W393 H395	Y377-T390 PolarHBondContact O-N 3.21Å; Y377-T390 PolarHBondContact O-OG1 2.99Å; R379-T390 HydrophobicContact CB-CG2 3.94Å; T388-T390 HydrophobicContact CG2-CG2 4.42Å; T388-T390 PolarHBondContact O-N 2.9Å; T390-W393 WeakPolarHBondContact O-CB 3.37Å; T390-W393 PolarHBondContact O-N 3.21Å; T390-W393 PolarHBondContact OG1-O 3.01Å; T390-H395 PolarHBondContact OG1-NE2 2.97Å
391	T	92.9	Very high	94.4	Very high	26 Å²	26	72.4 Å²	72.4	16%	0.16	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	132.3	179.7	-62.3	0	0	0	0	110.9	Y377 N389 R408 K531	Y377-T391 WeakPolarHBondContact CB-OG1 3.21Å; Y377-T391 HydrophobicContact CD2-CG2 4.25Å; Y377-T391 WeakPolarHBondContact CD2-OG1 3.19Å; Y377-T391 HydrophobicContact CE2-CG2 4.42Å; N389-T391 VanDerWaalsContact OD1-CB 3.28Å; N389-T391 WeakPolarHBondContact OD1-CB 3.48Å; N389-T391 PolarHBondContact OD1-N 3.44Å; N389-T391 PolarHBondContact OD1-OG1 3.44Å; T391-R408 PolarHBondContact OG1-NE 3.31Å; T391-K531 WeakPolarHBondContact O-CD 3.4Å; T391-K531 WeakPolarHBondContact O-CG 3.44Å
392	P	93.2	Very high	94.3	Very high	93 Å²	93	71.3 Å²	71.3	60%	0.604	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.6	18.7	7.1	38.6	-35.4	0	0	0	115	Y377 E394	Y377-P392 VanDerWaalsContact CE1-O 3.26Å; Y377-P392 WeakPolarHBondContact CE1-O 3.49Å; P392-E394 PolarHBondContact O-N 3.39Å
393	W	93.3	Very high	94.4	Very high	190 Å²	190	67.4 Å²	67.4	72%	0.72	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-79.7	119.4	-179.8	-60.8	100.9	0	0	0	111.8	T390	T390-W393 WeakPolarHBondContact O-CB 3.37Å; T390-W393 PolarHBondContact O-N 3.21Å; T390-W393 PolarHBondContact OG1-O 3.01Å
394	E	94.6	Very high	94.5	Very high	108 Å²	108	60.2 Å²	60.2	51%	0.505	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-85.6	139	174.6	-62.1	-171.3	-165.1	0	0	111.9	R376 Y377 P392	R376-E394 HydrophobicContact CB-CB 4.32Å; R376-E394 HydrophobicContact CB-CG 4.24Å; R376-E394 IonicContact NH1-OE2 2.99Å; R376-E394 CarbonylContact O-C 3.59Å; R376-E394 WeakPolarHBondContact O-CA 3.44Å; Y377-E394 HydrophobicContact CD1-CG 3.65Å; Y377-E394 HydrophobicContact CE1-CB 4.48Å; Y377-E394 HydrophobicContact CE1-CG 3.26Å; P392-E394 PolarHBondContact O-N 3.39Å
395	H	94.2	Very high	94.3	Very high	36 Å²	36	62.8 Å²	62.8	17%	0.167	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-92.9	146.2	171.8	-65.7	-73.5	0	0	0	110.5	R376 L378 R379 T390 Y397	R376-H395 PolarHBondContact O-CD2 3.48Å; R376-H395 PolarHBondContact O-N 3.42Å; L378-H395 PolarHBondContact O-CD2 2.87Å; L378-H395 VanDerWaalsContact O-CD2 3.25Å; R379-H395 VanDerWaalsContact CB-NE2 3.34Å; R379-H395 WeakPolarHBondContact CB-NE2 3.27Å; R379-H395 VanDerWaalsContact CG-CE1 3.47Å; R379-H395 WeakPolarHBondContact CG-CE1 3.41Å; T390-H395 PolarHBondContact OG1-NE2 2.97Å; H395-Y397 HydrophobicContact CB-CD2 3.94Å; H395-Y397 HydrophobicContact CB-CE2 3.65Å; H395-Y397 PolarHBondContact O-N 2.94Å
396	P	93.1	Very high	94.1	Very high	128 Å²	128	63.5 Å²	63.5	83%	0.831	34%	0.338	S	S	*	.			trans	-77.8	56.8	-173.3	34.8	-38.1	0	0	0	111.9
397	Y	93.9	Very high	93.9	Very high	41 Å²	41	63.5 Å²	63.5	16%	0.161	34%	0.337	C	S	.	.			trans	-80.4	145.6	175.5	-63	-53.4	0	0	0	111.7	A374 L378 L380 H395	A374-Y397 HydrophobicContact CB-CE2 4.28Å; L378-Y397 VanDerWaalsContact O-CE2 3.26Å; L378-Y397 WeakPolarHBondContact O-CE2 3.38Å; L378-Y397 PolarHBondContact O-OH 3.37Å; L380-Y397 PolarHBondContact N-OH 3.39Å; L380-Y397 VanDerWaalsContact N-OH 3.16Å; H395-Y397 HydrophobicContact CB-CD2 3.94Å; H395-Y397 HydrophobicContact CB-CE2 3.65Å; H395-Y397 PolarHBondContact O-N 2.94Å
398	P	92.7	Very high	93.7	Very high	76 Å²	76	67.3 Å²	67.3	49%	0.494	35%	0.351	S	S	.	.			trans	-66.4	147.5	177.5	27.1	-34.2	0	0	0	111.5	L400 R403	P398-L400 HydrophobicContact CB-CG 4.45Å; P398-L400 HydrophobicContact CG-CD1 4.17Å; P398-L400 HydrophobicContact CG-CG 4.27Å; P398-L400 PolarHBondContact O-N 3.24Å; P398-R403 VanDerWaalsContact O-CZ 3.24Å; P398-R403 PolarHBondContact O-NE 3.27Å; P398-R403 PolarHBondContact O-NH2 2.9Å
399	D	90.9	Very high	93.7	Very high	125 Å²	125	66.3 Å²	66.3	67%	0.668	35%	0.345	S	S	*	.			trans	-71.7	109.8	173	-77	-51.8	0	0	0	110.4	R376	R376-D399 IonicContact CZ-OD1 3.56Å; R376-D399 IonicContact NE-OD1 3.91Å; R376-D399 IonicContact NH2-OD1 3.67Å; R376-D399 PolarHBondContact NH2-OD1 3.38Å; R376-D399 IonicContact NH2-OD2 2.69Å; R376-D399 PolarHBondContact NH2-OD2 2.73Å
400	L	93.4	Very high	93.7	Very high	59 Å²	59	66.3 Å²	66.3	31%	0.309	35%	0.345	S	S	.	.			trans	-125.9	144.3	-179.8	-64.2	176.4	0	0	0	110	D372 P398 S402 R403	D372-L400 HydrophobicContact CB-CD1 3.58Å; D372-L400 VanDerWaalsContact CG-CD1 3.43Å; D372-L400 WeakPolarHBondContact OD1-CD1 3.48Å; P398-L400 HydrophobicContact CB-CG 4.45Å; P398-L400 HydrophobicContact CG-CD1 4.17Å; P398-L400 HydrophobicContact CG-CG 4.27Å; P398-L400 PolarHBondContact O-N 3.24Å; L400-S402 PolarHBondContact O-N 3.47Å; L400-S402 VanDerWaalsContact O-N 3.13Å; L400-R403 WeakPolarHBondContact O-CB 3.45Å; L400-R403 PolarHBondContact O-N 2.87Å
401	P	91.8	Very high	93.8	Very high	105 Å²	105	65.1 Å²	65.1	68%	0.682	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.7	175.4	-24.9	34.2	0	0	0	114.2	R403	P401-R403 VanDerWaalsContact C-N 3.35Å
402	S	93	Very high	94	Very high	41 Å²	41	63.9 Å²	63.9	29%	0.287	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-15.5	178.7	45.7	0	0	0	0	114.2	D372 L400	D372-S402 PolarHBondContact O-OG 3.35Å; L400-S402 PolarHBondContact O-N 3.47Å; L400-S402 VanDerWaalsContact O-N 3.13Å
403	R	95.1	Very high	94.1	Very high	13 Å²	13	64.8 Å²	64.8	5%	0.049	33%	0.326	C	S	.	.	S	Bend	trans	-76.9	130.3	-174.4	-170.4	173.9	-54.2	-60.8	-13.2	111.6	P371 D372 A374 P398 L400 P401 L405	P371-R403 PolarHBondContact O-NH1 3.45Å; D372-R403 WeakPolarHBondContact O-CA 3.35Å; D372-R403 WeakPolarHBondContact O-CB 3.26Å; D372-R403 PolarHBondContact O-N 2.82Å; A374-R403 VanDerWaalsContact O-CG 3.28Å; A374-R403 WeakPolarHBondContact O-CG 3.29Å; A374-R403 PolarHBondContact O-NH1 2.84Å; P398-R403 VanDerWaalsContact O-CZ 3.24Å; P398-R403 PolarHBondContact O-NE 3.27Å; P398-R403 PolarHBondContact O-NH2 2.9Å; L400-R403 WeakPolarHBondContact O-CB 3.45Å; L400-R403 PolarHBondContact O-N 2.87Å; P401-R403 VanDerWaalsContact C-N 3.35Å; R403-L405 PolarHBondContact O-N 3.31Å
404	F	95	Very high	94.1	Very high	3 Å²	3	58.6 Å²	58.6	1%	0.013	31%	0.305	C	S	.	.			trans	-67.1	126.1	170.7	-70.9	-74	0	0	0	111.1	T373 H375 W407 Q409 L411 I441 R443	T373-F404 VanDerWaalsContact O-CD2 3.29Å; T373-F404 WeakPolarHBondContact O-CD2 3.31Å; T373-F404 PolarHBondContact O-N 2.94Å; H375-F404 WeakPolarHBondContact CA-O 3.31Å; H375-F404 HydrophobicContact CB-CB 4.27Å; H375-F404 PolarHBondContact CD2-O 3.35Å; F404-W407 WeakPolarHBondContact CB-O 3.44Å; F404-Q409 HydrophobicContact CB-CB 4.38Å; F404-Q409 HydrophobicContact CD1-CB 4.18Å; F404-Q409 HydrophobicContact CD2-CB 3.48Å; F404-Q409 VanDerWaalsContact CD2-CB 3.48Å; F404-Q409 WeakPolarHBondContact CD2-O 3.49Å; F404-Q409 HydrophobicContact CE1-CB 4.28Å; F404-Q409 VanDerWaalsContact CE1-NE2 3.28Å; F404-Q409 HydrophobicContact CE2-CB 3.56Å; F404-Q409 HydrophobicContact CG-CB 3.78Å; F404-Q409 HydrophobicContact CZ-CB 3.97Å; F404-L411 HydrophobicContact CE2-CD2 3.99Å; F404-L411 HydrophobicContact CE2-CG 3.94Å; F404-L411 HydrophobicContact CZ-CD2 4.14Å; F404-L411 HydrophobicContact CZ-CG 4.34Å; F404-I441 HydrophobicContact CE1-CD1 4.38Å; F404-I441 HydrophobicContact CE1-CG2 4.04Å; F404-I441 HydrophobicContact CZ-CD1 4.5Å; F404-I441 HydrophobicContact CZ-CG2 3.8Å; F404-R443 WeakPolarHBondContact CA-O 3.08Å; F404-R443 VanDerWaalsContact CE1-CD 3.48Å
405	L	92.4	Very high	94	Very high	104 Å²	104	56 Å²	56	55%	0.545	30%	0.299	S	S	.	.	S	Bend	trans	-96.5	-37.3	-174.8	-173.5	64	0	0	0	113.6	H375 R403 R443	H375-L405 PolarHBondContact CD2-O 2.92Å; H375-L405 PolarHBondContact NE2-O 2.99Å; R403-L405 PolarHBondContact O-N 3.31Å; L405-R443 PolarHBondContact N-O 3.49Å
406	H	90.3	Very high	93.9	Very high	75 Å²	75	54.3 Å²	54.3	35%	0.347	29%	0.291	S	S	.	.	S	Bend	trans	-106.7	-52.8	-173.9	-171	82.3	0	0	0	112.3	E446	H406-E446 HydrophobicContact CB-CG 4.44Å; H406-E446 IonicContact CE1-OE1 2.75Å; H406-E446 PolarHBondContact CE1-OE1 3.1Å; H406-E446 IonicContact CE1-OE2 3.37Å; H406-E446 WeakPolarHBondContact ND1-CG 3.38Å; H406-E446 IonicContact ND1-OE1 3.08Å; H406-E446 PolarHBondContact ND1-OE1 3.22Å; H406-E446 VanDerWaalsContact ND1-OE1 3.08Å
407	W	92.4	Very high	93.8	Very high	60 Å²	60	50.2 Å²	50.2	23%	0.227	26%	0.26	C	S	.	.	S	Bend	trans	-83.4	133.2	-179.5	-61.8	107.8	0	0	0	110.7	H375 F404 Q409 E446 E447 C451 W527	H375-W407 PolarHBondContact CD2-O 2.86Å; H375-W407 VanDerWaalsContact CD2-O 3.29Å; F404-W407 WeakPolarHBondContact CB-O 3.44Å; W407-Q409 HydrophobicContact CB-CG 3.89Å; W407-Q409 VanDerWaalsContact CB-NE2 3.29Å; W407-Q409 PolarHBondContact O-N 3.48Å; W407-E446 WeakPolarHBondContact CZ2-O 3.44Å; W407-E447 PolarHBondContact NE1-O 3.01Å; W407-C451 HydrophobicContact CD2-CB 3.9Å; W407-C451 HydrophobicContact CE3-CB 4.48Å; W407-C451 HydrophobicContact CG-CB 3.95Å; W407-W527 HydrophobicContact CE3-CH2 4.14Å; W407-W527 AromaticContact CE3-CZ2 3.59Å; W407-W527 HydrophobicContact CE3-CZ2 3.59Å; W407-W527 AromaticContact CZ3-CH2 3.94Å; W407-W527 HydrophobicContact CZ3-CH2 3.94Å; W407-W527 AromaticContact CZ3-CZ2 3.61Å; W407-W527 HydrophobicContact CZ3-CZ2 3.61Å
408	R	95.4	Very high	93.3	Very high	80 Å²	80	50 Å²	50	30%	0.302	26%	0.261	S	S	.	.			trans	-73.7	62	-177.8	-58.5	173.4	-168.9	114.3	13.1	111.7	L378 N389 T391 L528 S529	L378-R408 HydrophobicContact CD2-CB 4.15Å; L378-R408 HydrophobicContact CG-CB 4.49Å; N389-R408 WeakPolarHBondContact ND2-CD 3.39Å; T391-R408 PolarHBondContact OG1-NE 3.31Å; R408-L528 WeakPolarHBondContact CB-O 3.37Å; R408-L528 PolarHBondContact O-N 3.47Å; R408-L528 VanDerWaalsContact O-N 3.11Å; R408-S529 PolarHBondContact NH1-O 3.41Å
409	Q	97.1	Very high	93	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	156.7	-171.9	-66.7	179.4	122.9	0	0	111.9	H375 L378 F404 W407 S450 F526 W527	H375-Q409 PolarHBondContact N-O 3.02Å; L378-Q409 WeakPolarHBondContact CD1-O 3.42Å; F404-Q409 HydrophobicContact CB-CB 4.38Å; F404-Q409 HydrophobicContact CD1-CB 4.18Å; F404-Q409 HydrophobicContact CD2-CB 3.48Å; F404-Q409 VanDerWaalsContact CD2-CB 3.48Å; F404-Q409 WeakPolarHBondContact CD2-O 3.49Å; F404-Q409 HydrophobicContact CE1-CB 4.28Å; F404-Q409 VanDerWaalsContact CE1-NE2 3.28Å; F404-Q409 HydrophobicContact CE2-CB 3.56Å; F404-Q409 HydrophobicContact CG-CB 3.78Å; F404-Q409 HydrophobicContact CZ-CB 3.97Å; W407-Q409 HydrophobicContact CB-CG 3.89Å; W407-Q409 VanDerWaalsContact CB-NE2 3.29Å; W407-Q409 PolarHBondContact O-N 3.48Å; Q409-S450 PolarHBondContact NE2-O 3.49Å; Q409-F526 CarbonylContact C-O 3.55Å; Q409-F526 WeakPolarHBondContact CA-O 3.44Å; Q409-W527 HydrophobicContact CG-CB 3.82Å; Q409-W527 HydrophobicContact CG-CG 3.95Å
410	V	97.4	Very high	93	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	146	170.6	62.3	0	0	0	0	108.8	F369 A374 L378 L380 V387 F526	F369-V410 HydrophobicContact CB-CG2 4Å; F369-V410 HydrophobicContact CD1-CG1 3.76Å; F369-V410 HydrophobicContact CD1-CG2 4.26Å; F369-V410 HydrophobicContact CE1-CG1 4.15Å; F369-V410 HydrophobicContact CG-CG1 4.45Å; F369-V410 HydrophobicContact CG-CG2 4.47Å; A374-V410 HydrophobicContact CB-CB 4.19Å; A374-V410 HydrophobicContact CB-CG2 3.77Å; L378-V410 HydrophobicContact CD1-CB 4.02Å; L378-V410 HydrophobicContact CD1-CG1 4.13Å; L380-V410 HydrophobicContact CD2-CG2 4.47Å; V387-V410 HydrophobicContact CB-CG1 4.45Å; V387-V410 HydrophobicContact CG1-CG1 4.25Å; V387-V410 HydrophobicContact CG2-CG1 4.13Å; V410-F526 HydrophobicContact CG1-CB 3.95Å; V410-F526 HydrophobicContact CG1-CD2 4.44Å; V410-F526 PolarHBondContact N-O 3.2Å; V410-F526 PolarHBondContact O-N 3.16Å
411	L	97.6	Very high	93	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	166.7	174	-57.3	-168.8	0	0	0	111.5	D370 T373 F404 T437 A524 A525	D370-L411 WeakPolarHBondContact CB-O 3.49Å; D370-L411 PolarHBondContact N-O 2.96Å; T373-L411 HydrophobicContact CG2-CB 4.25Å; T373-L411 HydrophobicContact CG2-CG 4.39Å; T373-L411 PolarHBondContact OG1-N 2.87Å; F404-L411 HydrophobicContact CE2-CD2 3.99Å; F404-L411 HydrophobicContact CE2-CG 3.94Å; F404-L411 HydrophobicContact CZ-CD2 4.14Å; F404-L411 HydrophobicContact CZ-CG 4.34Å; L411-T437 HydrophobicContact CD1-CG2 4.17Å; L411-T437 HydrophobicContact CD2-CG2 3.52Å; L411-A524 CarbonylContact C-O 3.56Å; L411-A524 VanDerWaalsContact CA-O 3.24Å; L411-A524 WeakPolarHBondContact CA-O 3.3Å; L411-A525 HydrophobicContact CD2-CB 3.51Å
412	S	96.8	Very high	93.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	154	163.7	59.7	0	0	0	0	111.5	T368 Q414 Y523 A524	T368-S412 CarbonylContact O-C 3.54Å; T368-S412 WeakPolarHBondContact O-CA 3.34Å; S412-Q414 PolarHBondContact OG-O 3.22Å; S412-Y523 VanDerWaalsContact O-CD1 3.29Å; S412-Y523 WeakPolarHBondContact O-CD1 3.41Å; S412-A524 PolarHBondContact N-O 3.42Å; S412-A524 PolarHBondContact OG-N 3.46Å
413	Q	95	Very high	93.4	Very high	112 Å²	112	40.4 Å²	40.4	52%	0.523	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-39.2	172.3	-172.4	173.8	13.3	0	0	111.3	T368 D370	T368-Q413 PolarHBondContact O-N 3.19Å; T368-Q413 PolarHBondContact OG1-OE1 3Å; D370-Q413 HydrophobicContact CB-CB 4.23Å
414	Q	94.2	Very high	93.4	Very high	60 Å²	60	39.8 Å²	39.8	28%	0.28	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.5	-179.2	-58.9	75.9	5.4	0	0	110.1	I367 T368 S412 Y523	I367-Q414 HydrophobicContact CG2-CB 4.32Å; T368-Q414 PolarHBondContact O-OE1 2.82Å; T368-Q414 PolarHBondContact OG1-NE2 2.86Å; T368-Q414 PolarHBondContact OG1-OE1 3.13Å; S412-Q414 PolarHBondContact OG-O 3.22Å; Q414-Y523 WeakPolarHBondContact O-CD1 3.33Å
415	S	93.3	Very high	93.5	Very high	53 Å²	53	39.6 Å²	39.6	37%	0.371	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	136.3	168.7	60.7	0	0	0	0	110.7
416	L	92.1	Very high	93.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	108.1	171	-49.5	177.7	0	0	0	107.7	I367 Y421 F423 L436 V491 V522	I367-L416 HydrophobicContact CG2-CD2 4.4Å; L416-Y421 HydrophobicContact CB-CD2 3.82Å; L416-Y421 HydrophobicContact CB-CE2 4.09Å; L416-Y421 HydrophobicContact CB-CG 4.21Å; L416-Y421 HydrophobicContact CD2-CD1 3.84Å; L416-Y421 HydrophobicContact CD2-CD2 4.27Å; L416-Y421 HydrophobicContact CD2-CE1 4.32Å; L416-Y421 HydrophobicContact CD2-CG 3.78Å; L416-Y421 HydrophobicContact CG-CG 4.48Å; L416-F423 HydrophobicContact CD1-CD1 4.41Å; L416-F423 HydrophobicContact CD1-CE1 3.81Å; L416-L436 HydrophobicContact CD1-CD2 3.9Å; L416-V491 HydrophobicContact CD1-CG2 3.85Å; L416-V522 HydrophobicContact CB-CG2 4.17Å; L416-V522 PolarHBondContact N-O 3.24Å; L416-V522 VanDerWaalsContact O-CG2 3.29Å; L416-V522 WeakPolarHBondContact O-CG2 3.34Å; L416-V522 PolarHBondContact O-N 3.27Å
417	Y	89.2	Confident	93.9	Very high	42 Å²	42	33.6 Å²	33.6	17%	0.165	15%	0.153	C	C	.	.			trans	-148.2	140.5	-172.1	-168.4	-129.8	0	0	0	111.9	V339 H419 Y421 F493 P521	V339-Y417 VanDerWaalsContact CB-OH 3.26Å; V339-Y417 WeakPolarHBondContact CB-OH 3.47Å; V339-Y417 HydrophobicContact CG1-CE1 4.41Å; Y417-H419 PolarHBondContact O-N 2.97Å; Y417-Y421 VanDerWaalsContact N-CE2 3.27Å; Y417-Y421 PolarHBondContact N-OH 2.96Å; Y417-Y421 PolarHBondContact O-OH 3.26Å; Y417-F493 HydrophobicContact CD2-CD1 4.46Å; Y417-F493 HydrophobicContact CD2-CD2 4.2Å; Y417-F493 AromaticContact CD2-CE1 3.77Å; Y417-F493 HydrophobicContact CD2-CE1 3.77Å; Y417-F493 AromaticContact CD2-CE2 3.46Å; Y417-F493 HydrophobicContact CD2-CE2 3.46Å; Y417-F493 VanDerWaalsContact CD2-CE2 3.46Å; Y417-F493 AromaticContact CD2-CZ 3.24Å; Y417-F493 HydrophobicContact CD2-CZ 3.24Å; Y417-F493 AromaticContact CE2-CE1 3.66Å; Y417-F493 HydrophobicContact CE2-CE1 3.66Å; Y417-F493 AromaticContact CE2-CE2 3.95Å; Y417-F493 HydrophobicContact CE2-CE2 3.95Å; Y417-F493 AromaticContact CE2-CZ 3.24Å; Y417-F493 HydrophobicContact CE2-CZ 3.24Å; Y417-P521 HydrophobicContact CD1-CG 3.92Å; Y417-P521 VanDerWaalsContact CD2-CA 3.49Å; Y417-P521 HydrophobicContact CD2-CB 4.04Å; Y417-P521 HydrophobicContact CD2-CG 3.84Å; Y417-P521 HydrophobicContact CE1-CG 4.19Å; Y417-P521 HydrophobicContact CE2-CG 4.1Å; Y417-P521 HydrophobicContact CG-CB 3.97Å; Y417-P521 HydrophobicContact CG-CG 3.78Å
418	L	83.5	Confident	94	Very high	37 Å²	37	33.8 Å²	33.8	19%	0.194	16%	0.163	C	C	.	.	S	Bend	trans	65.6	-10.8	172.6	-61.9	172.2	0	0	0	118.4	A341 F493 P494	A341-L418 HydrophobicContact CB-CB 3.78Å; A341-L418 HydrophobicContact CB-CD1 4Å; A341-L418 HydrophobicContact CB-CD2 3.75Å; A341-L418 HydrophobicContact CB-CG 4.01Å; L418-F493 VanDerWaalsContact N-CD1 3.31Å; L418-P494 WeakPolarHBondContact O-CG 3.34Å
419	H	86.3	Confident	93.7	Very high	101 Å²	101	31.9 Å²	31.9	47%	0.468	17%	0.169	S	C	.	.	S	Bend	trans	-127.9	-175.2	-177	-57.5	-43.8	0	0	0	113.1	Y417 Y421 F493 P494	Y417-H419 PolarHBondContact O-N 2.97Å; H419-Y421 HydrophobicContact CB-CD2 4.49Å; H419-Y421 HydrophobicContact CB-CE1 4.47Å; H419-Y421 HydrophobicContact CB-CE2 3.73Å; H419-Y421 WeakPolarHBondContact O-CD2 3.01Å; H419-F493 WeakPolarHBondContact O-CB 3.45Å; H419-F493 PolarHBondContact O-N 3.5Å; H419-F493 VanDerWaalsContact O-N 3.15Å; H419-P494 WeakPolarHBondContact O-CD 3.45Å
420	R	91.4	Very high	93.4	Very high	59 Å²	59	32.6 Å²	32.6	22%	0.223	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.9	169.7	-69.7	173.9	178.5	-168.7	6.7	108.8	K351 P352 E353 Y363 Y490 V491 N492	K351-R420 PolarHBondContact O-NH1 3.47Å; K351-R420 PolarHBondContact O-NH2 3.43Å; P352-R420 PolarHBondContact O-NH1 2.98Å; E353-R420 IonicContact OE1-NH2 3.84Å; Y363-R420 HydrophobicContact CD1-CB 3.46Å; Y363-R420 VanDerWaalsContact CD1-CB 3.46Å; Y363-R420 HydrophobicContact CE1-CB 3.77Å; Y363-R420 HydrophobicContact CE1-CG 4.38Å; Y363-R420 HydrophobicContact CG-CB 3.95Å; Y363-R420 PolarHBondContact OH-NH1 2.85Å; R420-Y490 HydrophobicContact CB-CE2 4.21Å; R420-Y490 VanDerWaalsContact CD-OH 3.3Å; R420-Y490 WeakPolarHBondContact CD-OH 3.18Å; R420-V491 CarbonylContact C-O 3.45Å; R420-V491 WeakPolarHBondContact CA-O 3.26Å; R420-N492 HydrophobicContact CG-CB 4.09Å; R420-N492 PolarHBondContact NE-OD1 3.37Å
421	Y	94.2	Very high	93.1	Very high	41 Å²	41	32.7 Å²	32.7	16%	0.161	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	148.5	-175.5	-61	-82.6	0	0	0	110.6	Y363 C365 L416 Y417 H419 Y490 V491	Y363-Y421 CarbonylContact O-C 3.5Å; Y363-Y421 WeakPolarHBondContact O-CA 3.43Å; C365-Y421 HydrophobicContact CB-CD1 3.9Å; L416-Y421 HydrophobicContact CB-CD2 3.82Å; L416-Y421 HydrophobicContact CB-CE2 4.09Å; L416-Y421 HydrophobicContact CB-CG 4.21Å; L416-Y421 HydrophobicContact CD2-CD1 3.84Å; L416-Y421 HydrophobicContact CD2-CD2 4.27Å; L416-Y421 HydrophobicContact CD2-CE1 4.32Å; L416-Y421 HydrophobicContact CD2-CG 3.78Å; L416-Y421 HydrophobicContact CG-CG 4.48Å; Y417-Y421 VanDerWaalsContact N-CE2 3.27Å; Y417-Y421 PolarHBondContact N-OH 2.96Å; Y417-Y421 PolarHBondContact O-OH 3.26Å; H419-Y421 HydrophobicContact CB-CD2 4.49Å; H419-Y421 HydrophobicContact CB-CE1 4.47Å; H419-Y421 HydrophobicContact CB-CE2 3.73Å; H419-Y421 WeakPolarHBondContact O-CD2 3.01Å; Y421-Y490 WeakPolarHBondContact O-CA 3.42Å; Y421-Y490 WeakPolarHBondContact O-CD2 3.43Å; Y421-V491 PolarHBondContact N-O 3.38Å; Y421-V491 PolarHBondContact O-N 2.79Å
422	Y	95.7	Very high	93	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	134.2	175.5	-178.4	-106.4	0	0	0	110.4	F360 L361 Y363 A364 C365 E424 G488 I489 M508 L540	F360-Y422 HydrophobicContact CB-CD1 3.94Å; F360-Y422 HydrophobicContact CB-CD2 3.87Å; F360-Y422 HydrophobicContact CB-CE1 4Å; F360-Y422 HydrophobicContact CB-CE2 3.92Å; F360-Y422 HydrophobicContact CB-CG 3.86Å; F360-Y422 AromaticContact CD1-CD2 3.79Å; F360-Y422 HydrophobicContact CD1-CD2 3.79Å; F360-Y422 HydrophobicContact CD1-CE2 4.03Å; F360-Y422 HydrophobicContact CD1-CG 4.42Å; F360-Y422 HydrophobicContact CG-CD2 4.12Å; F360-Y422 HydrophobicContact CG-CE2 4.07Å; F360-Y422 WeakPolarHBondContact O-CB 3.38Å; L361-Y422 HydrophobicContact CD2-CD1 4.31Å; L361-Y422 HydrophobicContact CD2-CE1 4.14Å; Y363-Y422 PolarHBondContact O-N 3.38Å; A364-Y422 CarbonylContact C-O 3.47Å; A364-Y422 VanDerWaalsContact CA-O 3.31Å; A364-Y422 WeakPolarHBondContact CA-O 3.26Å; C365-Y422 PolarHBondContact N-O 2.79Å; C365-Y422 PolarHBondContact SG-O 3.46Å; Y422-E424 HydrophobicContact CE1-CG 3.69Å; Y422-E424 WeakPolarHBondContact CE1-OE1 3.09Å; Y422-E424 VanDerWaalsContact OH-CG 3.26Å; Y422-E424 WeakPolarHBondContact OH-CG 3.35Å; Y422-E424 PolarHBondContact OH-OE1 3.48Å; Y422-G488 WeakPolarHBondContact OH-CA 3.41Å; Y422-I489 VanDerWaalsContact CA-O 3.3Å; Y422-I489 WeakPolarHBondContact CA-O 3.25Å; Y422-I489 WeakPolarHBondContact CD2-O 3.28Å; Y422-M508 HydrophobicContact CE2-CE 3.64Å; Y422-M508 WeakPolarHBondContact OH-CE 3.48Å; Y422-L540 HydrophobicContact CD1-CD2 4.49Å; Y422-L540 HydrophobicContact CE1-CD2 4.25Å
423	F	96.5	Very high	93	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.1	171.6	61.9	-87.8	0	0	0	110	I367 L416 V425 I489 A524 F526	I367-F423 HydrophobicContact CD1-CB 4.09Å; I367-F423 HydrophobicContact CD1-CD1 4.02Å; I367-F423 HydrophobicContact CD1-CD2 3.32Å; I367-F423 HydrophobicContact CD1-CE1 4.27Å; I367-F423 HydrophobicContact CD1-CE2 3.6Å; I367-F423 HydrophobicContact CD1-CG 3.54Å; I367-F423 HydrophobicContact CD1-CZ 4.06Å; I367-F423 HydrophobicContact CG1-CB 4.07Å; I367-F423 HydrophobicContact CG1-CD2 4.19Å; I367-F423 HydrophobicContact CG1-CG 4.07Å; L416-F423 HydrophobicContact CD1-CD1 4.41Å; L416-F423 HydrophobicContact CD1-CE1 3.81Å; F423-V425 HydrophobicContact CD2-CG1 3.95Å; F423-V425 HydrophobicContact CE2-CG1 4.04Å; F423-I489 HydrophobicContact CD1-CB 4.24Å; F423-I489 HydrophobicContact CD2-CB 4.21Å; F423-I489 HydrophobicContact CD2-CD1 4Å; F423-I489 HydrophobicContact CD2-CG1 4.42Å; F423-I489 HydrophobicContact CE1-CB 3.77Å; F423-I489 HydrophobicContact CE1-CG2 3.69Å; F423-I489 HydrophobicContact CE2-CB 3.77Å; F423-I489 HydrophobicContact CE2-CD1 3.64Å; F423-I489 HydrophobicContact CE2-CG1 3.75Å; F423-I489 HydrophobicContact CE2-CG2 4.31Å; F423-I489 HydrophobicContact CG-CB 4.45Å; F423-I489 HydrophobicContact CZ-CB 3.53Å; F423-I489 HydrophobicContact CZ-CD1 4.27Å; F423-I489 HydrophobicContact CZ-CG1 3.85Å; F423-I489 HydrophobicContact CZ-CG2 3.57Å; F423-I489 PolarHBondContact N-O 2.72Å; F423-I489 VanDerWaalsContact N-O 3.11Å; F423-I489 PolarHBondContact O-N 3.21Å; F423-A524 HydrophobicContact CE1-CB 4.2Å; F423-A524 HydrophobicContact CE2-CB 4.13Å; F423-A524 HydrophobicContact CZ-CB 3.58Å; F423-F526 HydrophobicContact CE2-CZ 4.24Å
424	E	96.2	Very high	93.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.7	179.4	-70.4	178.4	-175.7	0	0	110.7	R357 Y422 R486 L487 V538 L540	R357-E424 IonicContact CZ-OE1 2.8Å; R357-E424 IonicContact CZ-OE2 3.56Å; R357-E424 IonicContact NE-OE1 3.92Å; R357-E424 PolarHBondContact NE-OE1 3.46Å; R357-E424 IonicContact NE-OE2 3.42Å; R357-E424 IonicContact NH2-OE1 3.91Å; R357-E424 PolarHBondContact NH2-OE1 3.45Å; R357-E424 IonicContact NH2-OE2 3.56Å; R357-E424 PolarHBondContact NH2-OE2 2.97Å; Y422-E424 HydrophobicContact CE1-CG 3.69Å; Y422-E424 WeakPolarHBondContact CE1-OE1 3.09Å; Y422-E424 VanDerWaalsContact OH-CG 3.26Å; Y422-E424 WeakPolarHBondContact OH-CG 3.35Å; Y422-E424 PolarHBondContact OH-OE1 3.48Å; E424-R486 HydrophobicContact CB-CG 4.47Å; E424-R486 WeakPolarHBondContact OE2-CD 3.48Å; E424-R486 IonicContact OE2-NH1 3.95Å; E424-L487 CarbonylContact C-O 3.57Å; E424-L487 VanDerWaalsContact CA-O 3.24Å; E424-L487 WeakPolarHBondContact CA-O 3.35Å; E424-V538 HydrophobicContact CB-CB 4.03Å; E424-V538 HydrophobicContact CB-CG2 4.42Å; E424-V538 PolarHBondContact O-N 3.08Å; E424-L540 HydrophobicContact CB-CD2 3.91Å; E424-L540 HydrophobicContact CG-CD2 3.77Å
425	V	96.7	Very high	93.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.5	173.5	-55.4	0	0	0	0	111.2	F423 L427 V434 R486 L487 I489 F526 I535 R536 I537	F423-V425 HydrophobicContact CD2-CG1 3.95Å; F423-V425 HydrophobicContact CE2-CG1 4.04Å; V425-L427 HydrophobicContact CG2-CD2 4.4Å; V425-V434 HydrophobicContact CG2-CG1 4.19Å; V425-V434 HydrophobicContact CG2-CG2 4.22Å; V425-R486 CarbonylContact O-C 3.52Å; V425-R486 WeakPolarHBondContact O-CA 3.49Å; V425-L487 HydrophobicContact CG2-CB 4.05Å; V425-L487 PolarHBondContact N-O 3.41Å; V425-L487 PolarHBondContact O-N 3.43Å; V425-I489 HydrophobicContact CG1-CD1 4.34Å; V425-I489 HydrophobicContact CG2-CD1 3.81Å; V425-F526 HydrophobicContact CG1-CE1 3.93Å; V425-F526 HydrophobicContact CG1-CZ 4.29Å; V425-I535 HydrophobicContact CB-CG2 4.04Å; V425-I535 HydrophobicContact CG1-CG2 4.48Å; V425-I535 HydrophobicContact CG2-CG2 4.42Å; V425-R536 CarbonylContact C-O 3.49Å; V425-R536 WeakPolarHBondContact CA-O 3.45Å; V425-I537 HydrophobicContact CG1-CG1 4.26Å
426	E	96.2	Very high	93.3	Very high	39 Å²	39	22.9 Å²	22.9	18%	0.182	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.5	177.1	-174.8	166.9	-148.2	0	0	109.9	R485 I535 R536 V538	E426-R485 WeakPolarHBondContact CA-O 3.29Å; E426-I535 WeakPolarHBondContact O-CA 3.32Å; E426-R536 HydrophobicContact CB-CB 4.48Å; E426-R536 PolarHBondContact N-O 3.17Å; E426-R536 PolarHBondContact O-N 3.09Å; E426-R536 IonicContact OE2-CZ 2.86Å; E426-R536 IonicContact OE2-NE 3.94Å; E426-R536 PolarHBondContact OE2-NE 3.29Å; E426-R536 IonicContact OE2-NH2 2.82Å; E426-R536 PolarHBondContact OE2-NH2 3.3Å; E426-V538 HydrophobicContact CB-CG2 3.95Å
427	L	95.6	Very high	93.4	Very high	14 Å²	14	22.8 Å²	22.8	7%	0.073	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.3	-177.9	-57.5	-173.4	0	0	0	111.1	V425 V434 W463 F468 R485 L487 I535	V425-L427 HydrophobicContact CG2-CD2 4.4Å; L427-V434 HydrophobicContact CD2-CG2 3.75Å; L427-W463 HydrophobicContact CD1-CB 4.01Å; L427-W463 HydrophobicContact CD1-CG 4.4Å; L427-F468 HydrophobicContact CD1-CE1 4.22Å; L427-R485 PolarHBondContact N-O 3.04Å; L427-L487 HydrophobicContact CD1-CD1 3.45Å; L427-L487 VanDerWaalsContact CD1-CD1 3.45Å; L427-L487 HydrophobicContact CD1-CG 4.21Å; L427-L487 HydrophobicContact CD2-CD1 4.37Å; L427-L487 HydrophobicContact CG-CD1 3.92Å; L427-L487 HydrophobicContact CG-CG 4.41Å; L427-I535 HydrophobicContact CD2-CD1 4.2Å; L427-I535 HydrophobicContact CD2-CG1 3.83Å; L427-I535 HydrophobicContact CD2-CG2 4.3Å
428	S	93.7	Very high	93.5	Very high	64 Å²	64	21.2 Å²	21.2	45%	0.448	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.4	170.1	-67.3	0	0	0	0	110.1	N533 A534	S428-N533 CarbonylContact O-C 3.51Å; S428-N533 VanDerWaalsContact O-CA 3.26Å; S428-N533 WeakPolarHBondContact O-CA 3.45Å; S428-A534 PolarHBondContact N-O 2.91Å; S428-A534 PolarHBondContact O-N 3.14Å
429	G	89.4	Confident	93.7	Very high	40 Å²	40	25.7 Å²	25.7	41%	0.412	14%	0.137	S	C	.	.	S	Bend	trans	88.6	162.6	-179.2	0	0	0	0	0	114.5	W463 N533	G429-W463 VanDerWaalsContact O-CD1 3.28Å; G429-N533 WeakPolarHBondContact CA-OD1 3.32Å
430	G	90.3	Very high	93.7	Very high	16 Å²	16	23.9 Å²	23.9	17%	0.165	15%	0.146	C	C	.	.	S	Bend	trans	-97.1	130.7	179.2	0	0	0	0	0	111.6	K530 N533	G430-K530 WeakPolarHBondContact O-CD 3.17Å; G430-K530 WeakPolarHBondContact O-CE 3.26Å; G430-K530 PolarHBondContact O-NZ 3.44Å; G430-N533 PolarHBondContact O-ND2 2.82Å
431	G	90.8	Very high	93.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.01	14%	0.136	C	C	.	.	S	Bend	trans	110.6	40.7	-176.9	0	0	0	0	0	112.7	W463 S529 N533	G431-W463 VanDerWaalsContact CA-O 3.28Å; G431-W463 WeakPolarHBondContact CA-O 3.26Å; G431-W463 PolarHBondContact N-O 3.19Å; G431-S529 WeakPolarHBondContact CA-OG 3.31Å; G431-S529 PolarHBondContact O-N 2.9Å; G431-S529 PolarHBondContact O-OG 3.35Å; G431-N533 PolarHBondContact O-ND2 3.46Å
432	T	95.5	Very high	93.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.2	177.7	47.4	0	0	0	0	109.7	H462 W463 W527 N533 I535	T432-H462 WeakPolarHBondContact O-CA 3.49Å; T432-W463 PolarHBondContact N-O 2.83Å; T432-W463 PolarHBondContact O-N 3.01Å; T432-W527 CarbonylContact C-O 3.37Å; T432-W527 WeakPolarHBondContact CA-O 3.42Å; T432-N533 HydrophobicContact CG2-CB 3.9Å; T432-I535 HydrophobicContact CG2-CD1 4.2Å; T432-I535 HydrophobicContact CG2-CG1 4.07Å
433	Y	96.5	Very high	93	Very high	20 Å²	20	23.8 Å²	23.8	8%	0.078	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139	171.8	-57.6	-122.9	0	0	0	109	I461 H462 W471 F526 W527	Y433-I461 CarbonylContact C-O 3.53Å; Y433-I461 VanDerWaalsContact CA-O 3.24Å; Y433-I461 WeakPolarHBondContact CA-O 3.24Å; Y433-H462 HydrophobicContact CD1-CB 3.52Å; Y433-H462 HydrophobicContact CD2-CB 4.31Å; Y433-H462 AromaticContact CD2-CD2 3.56Å; Y433-H462 HydrophobicContact CE1-CB 3.42Å; Y433-H462 VanDerWaalsContact CE1-CB 3.42Å; Y433-H462 AromaticContact CE1-CD2 3.99Å; Y433-H462 AromaticContact CE1-CG 3.59Å; Y433-H462 HydrophobicContact CE2-CB 4.22Å; Y433-H462 AromaticContact CE2-CD2 3.15Å; Y433-H462 WeakPolarHBondContact CE2-CD2 3.38Å; Y433-H462 AromaticContact CE2-CG 3.66Å; Y433-H462 AromaticContact CE2-NE2 3.6Å; Y433-H462 HydrophobicContact CG-CB 3.94Å; Y433-H462 AromaticContact CZ-CD2 3.36Å; Y433-H462 AromaticContact CZ-CE1 3.96Å; Y433-H462 AromaticContact CZ-CG 3.34Å; Y433-H462 AromaticContact CZ-ND1 3.75Å; Y433-H462 AromaticContact CZ-NE2 3.8Å; Y433-H462 PolarHBondContact OH-ND1 2.75Å; Y433-W471 AromaticContact CE1-CD1 3.99Å; Y433-W471 HydrophobicContact CE1-CG 4.3Å; Y433-F526 WeakPolarHBondContact O-CA 3.28Å; Y433-W527 AromaticContact CD1-CE3 3.74Å; Y433-W527 HydrophobicContact CD1-CE3 3.74Å; Y433-W527 HydrophobicContact CD1-CZ3 4.03Å; Y433-W527 HydrophobicContact CD2-CB 4.15Å; Y433-W527 AromaticContact CD2-CD2 3.7Å; Y433-W527 HydrophobicContact CD2-CD2 3.7Å; Y433-W527 AromaticContact CD2-CE3 3.32Å; Y433-W527 HydrophobicContact CD2-CE3 3.32Å; Y433-W527 HydrophobicContact CD2-CG 4.12Å; Y433-W527 AromaticContact CD2-CZ3 3.88Å; Y433-W527 HydrophobicContact CD2-CZ3 3.88Å; Y433-W527 AromaticContact CE1-CE3 3.84Å; Y433-W527 HydrophobicContact CE1-CE3 3.84Å; Y433-W527 AromaticContact CE1-CZ3 3.62Å; Y433-W527 HydrophobicContact CE1-CZ3 3.62Å; Y433-W527 AromaticContact CE2-CD2 3.95Å; Y433-W527 HydrophobicContact CE2-CD2 3.95Å; Y433-W527 AromaticContact CE2-CE3 3.43Å; Y433-W527 HydrophobicContact CE2-CE3 3.43Å; Y433-W527 VanDerWaalsContact CE2-CE3 3.43Å; Y433-W527 AromaticContact CE2-CH2 4Å; Y433-W527 HydrophobicContact CE2-CH2 4Å; Y433-W527 HydrophobicContact CE2-CZ2 4.46Å; Y433-W527 AromaticContact CE2-CZ3 3.47Å; Y433-W527 HydrophobicContact CE2-CZ3 3.47Å; Y433-W527 VanDerWaalsContact CE2-CZ3 3.47Å; Y433-W527 HydrophobicContact CG-CB 4.26Å; Y433-W527 HydrophobicContact CG-CD2 4.22Å; Y433-W527 AromaticContact CG-CE3 3.54Å; Y433-W527 HydrophobicContact CG-CE3 3.54Å; Y433-W527 HydrophobicContact CG-CZ3 4.19Å; Y433-W527 AromaticContact CZ-CE3 3.72Å; Y433-W527 AromaticContact CZ-CZ3 3.35Å; Y433-W527 PolarHBondContact N-O 3.2Å; Y433-W527 PolarHBondContact O-N 3.4Å
434	V	97.4	Very high	92.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.3	175.4	-177.8	0	0	0	0	108.1	V425 L427 S460 I461 L487 I489 F500 F526 I535	V425-V434 HydrophobicContact CG2-CG1 4.19Å; V425-V434 HydrophobicContact CG2-CG2 4.22Å; L427-V434 HydrophobicContact CD2-CG2 3.75Å; V434-S460 CarbonylContact O-C 3.52Å; V434-S460 VanDerWaalsContact O-CA 3.31Å; V434-S460 WeakPolarHBondContact O-CA 3.39Å; V434-I461 HydrophobicContact CB-CG1 4.44Å; V434-I461 PolarHBondContact N-O 2.79Å; V434-I461 WeakPolarHBondContact O-CG1 3.36Å; V434-I461 PolarHBondContact O-N 3.16Å; V434-L487 HydrophobicContact CG2-CD1 4.49Å; V434-I489 HydrophobicContact CG1-CD1 4.15Å; V434-I489 HydrophobicContact CG1-CG1 4.14Å; V434-F500 HydrophobicContact CG1-CE1 4.39Å; V434-F526 HydrophobicContact CB-CD1 4.47Å; V434-F526 HydrophobicContact CG1-CD1 4.09Å; V434-F526 HydrophobicContact CG1-CE1 3.76Å; V434-F526 HydrophobicContact CG2-CD1 4.12Å; V434-F526 HydrophobicContact CG2-CE1 4.42Å; V434-I535 HydrophobicContact CG2-CD1 4.16Å
435	G	96.4	Very high	91.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	-166.6	-175.7	0	0	0	0	0	114	W459 A524 A525	G435-W459 CarbonylContact C-O 3.58Å; G435-W459 WeakPolarHBondContact CA-O 3.37Å; G435-A524 WeakPolarHBondContact O-CA 3.35Å; G435-A525 PolarHBondContact N-O 3.07Å; G435-A525 PolarHBondContact O-N 3.21Å
436	L	96.3	Very high	91	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.9	168.4	-58.5	-175.5	0	0	0	109.8	L416 S458 W459 V491 L498 F518 V522 Y523 A524	L416-L436 HydrophobicContact CD1-CD2 3.9Å; L436-S458 VanDerWaalsContact O-CA 3.27Å; L436-S458 WeakPolarHBondContact O-CA 3.37Å; L436-W459 PolarHBondContact N-O 3.05Å; L436-W459 PolarHBondContact O-N 3.38Å; L436-V491 HydrophobicContact CD1-CB 4.39Å; L436-V491 HydrophobicContact CD1-CG1 3.82Å; L436-V491 HydrophobicContact CD1-CG2 3.66Å; L436-V491 HydrophobicContact CD2-CG2 4.37Å; L436-L498 HydrophobicContact CB-CD2 4.3Å; L436-L498 HydrophobicContact CD1-CD1 3.71Å; L436-L498 HydrophobicContact CD1-CD2 3.97Å; L436-L498 HydrophobicContact CD1-CG 4.31Å; L436-L498 HydrophobicContact CG-CD1 4Å; L436-L498 HydrophobicContact CG-CD2 3.93Å; L436-F518 HydrophobicContact CD1-CE1 4.39Å; L436-F518 HydrophobicContact CD1-CZ 4.37Å; L436-V522 HydrophobicContact CB-CB 4.36Å; L436-V522 HydrophobicContact CD1-CG2 3.92Å; L436-Y523 VanDerWaalsContact CA-O 3.28Å; L436-Y523 WeakPolarHBondContact CA-O 3.44Å; L436-A524 HydrophobicContact CD2-CB 4.3Å
437	T	94.1	Very high	90.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.2	170.9	-175.8	0	0	0	0	110.9	L411 I441 I452 S458 V522 Y523 A525	L411-T437 HydrophobicContact CD1-CG2 4.17Å; L411-T437 HydrophobicContact CD2-CG2 3.52Å; T437-I441 HydrophobicContact CG2-CG2 4.18Å; T437-I452 HydrophobicContact CG2-CG2 4.3Å; T437-S458 WeakPolarHBondContact CB-OG 3.34Å; T437-S458 PolarHBondContact OG1-OG 2.88Å; T437-V522 CarbonylContact O-C 3.45Å; T437-V522 WeakPolarHBondContact O-CA 3.41Å; T437-Y523 PolarHBondContact N-O 3.46Å; T437-Y523 PolarHBondContact O-N 3.03Å; T437-A525 HydrophobicContact CG2-CB 3.68Å
438	C	90.9	Very high	89.8	Confident	8 Å²	8	48.8 Å²	48.8	5%	0.054	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	154.6	165.3	-61	0	0	0	0	111.3	G440 I441 F457	C438-G440 PolarHBondContact O-N 3.03Å; C438-I441 PolarHBondContact O-N 3.04Å; C438-F457 HydrophobicContact CB-CD2 4.24Å
439	K	88.8	Confident	89.3	Confident	132 Å²	132	50 Å²	50	57%	0.574	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.3	177.8	-160.2	172.4	-174.5	172.8	0	112.8	I441 R443 Y523	K439-I441 PolarHBondContact O-N 3.35Å; K439-R443 PolarHBondContact O-NH2 3.28Å; K439-Y523 HydrophobicContact CB-CD2 4.09Å; K439-Y523 HydrophobicContact CB-CE2 3.64Å; K439-Y523 HydrophobicContact CD-CE2 4.15Å; K439-Y523 HydrophobicContact CG-CE2 4.11Å
440	G	85.4	Confident	89	Confident	63 Å²	63	48.1 Å²	48.1	65%	0.649	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	2.9	-178.5	0	0	0	0	0	116.2	C438 D442	C438-G440 PolarHBondContact O-N 3.03Å; G440-D442 PolarHBondContact O-N 2.81Å
441	I	88.3	Confident	89	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	24%	0.239	C	C	.	.			trans	-54.8	134.8	172.3	-169.2	171	0	0	0	110.7	F404 T437 C438 K439 R443 I452 F457	F404-I441 HydrophobicContact CE1-CD1 4.38Å; F404-I441 HydrophobicContact CE1-CG2 4.04Å; F404-I441 HydrophobicContact CZ-CD1 4.5Å; F404-I441 HydrophobicContact CZ-CG2 3.8Å; T437-I441 HydrophobicContact CG2-CG2 4.18Å; C438-I441 PolarHBondContact O-N 3.04Å; K439-I441 PolarHBondContact O-N 3.35Å; I441-R443 VanDerWaalsContact CG2-CZ 3.41Å; I441-R443 WeakPolarHBondContact O-CD 3.18Å; I441-R443 PolarHBondContact O-NE 3.16Å; I441-I452 HydrophobicContact CD1-CG2 3.85Å; I441-F457 HydrophobicContact CB-CE2 3.87Å; I441-F457 HydrophobicContact CG1-CE2 4.13Å
442	D	88.7	Confident	89	Confident	73 Å²	73	47.5 Å²	47.5	39%	0.39	24%	0.239	S	C	.	.			trans	-64.4	140.9	177.6	177.5	37.7	0	0	0	110.9	G440 K444 G445 S450	G440-D442 PolarHBondContact O-N 2.81Å; D442-K444 PolarHBondContact OD1-N 2.9Å; D442-G445 WeakPolarHBondContact OD2-CA 3.3Å; D442-G445 PolarHBondContact OD2-N 3.42Å; D442-S450 WeakPolarHBondContact O-CA 3.34Å; D442-S450 WeakPolarHBondContact O-CB 3.36Å; D442-S450 PolarHBondContact OD2-OG 2.84Å
443	R	89.8	Confident	88.7	Confident	21 Å²	21	47.9 Å²	47.9	8%	0.079	24%	0.241	C	C	.	.	S	Bend	trans	-106.3	-20.1	-172.2	-52.6	-56.9	172.4	142.8	3.8	113.3	F404 L405 K439 I441	F404-R443 WeakPolarHBondContact CA-O 3.08Å; F404-R443 VanDerWaalsContact CE1-CD 3.48Å; L405-R443 PolarHBondContact N-O 3.49Å; K439-R443 PolarHBondContact O-NH2 3.28Å; I441-R443 VanDerWaalsContact CG2-CZ 3.41Å; I441-R443 WeakPolarHBondContact O-CD 3.18Å; I441-R443 PolarHBondContact O-NE 3.16Å
444	K	85.2	Confident	88	Confident	136 Å²	136	47.3 Å²	47.3	59%	0.591	24%	0.242	S	C	*	.	S	Bend	trans	-110	-28.2	-165.9	-62.8	-175.2	-179.7	-178.2	0	114	D442	D442-K444 PolarHBondContact OD1-N 2.9Å
445	G	77.8	Confident	87.4	Confident	19 Å²	19	47.4 Å²	47.4	20%	0.196	24%	0.242	C	C	.	.			trans	-71.1	150.6	-177.3	0	0	0	0	0	114.7	D442 S450	D442-G445 WeakPolarHBondContact OD2-CA 3.3Å; D442-G445 PolarHBondContact OD2-N 3.42Å; G445-S450 WeakPolarHBondContact CA-OG 3.35Å; G445-S450 VanDerWaalsContact O-CB 3.28Å; G445-S450 WeakPolarHBondContact O-CB 3.5Å; G445-S450 PolarHBondContact O-OG 2.8Å
446	E	84	Confident	86.9	Confident	142 Å²	142	51.3 Å²	51.3	66%	0.664	27%	0.269	S	S	*	.	S	Bend	trans	-84	-5.7	165.3	-44	-162.4	146.9	0	0	111.7	H406 W407	H406-E446 HydrophobicContact CB-CG 4.44Å; H406-E446 IonicContact CE1-OE1 2.75Å; H406-E446 PolarHBondContact CE1-OE1 3.1Å; H406-E446 IonicContact CE1-OE2 3.37Å; H406-E446 WeakPolarHBondContact ND1-CG 3.38Å; H406-E446 IonicContact ND1-OE1 3.08Å; H406-E446 PolarHBondContact ND1-OE1 3.22Å; H406-E446 VanDerWaalsContact ND1-OE1 3.08Å; W407-E446 WeakPolarHBondContact CZ2-O 3.44Å
447	E	82.7	Confident	86.6	Confident	133 Å²	133	54.3 Å²	54.3	62%	0.621	28%	0.283	S	S	*	.	S	Bend	trans	-67.5	158.4	-178.9	-61.7	-176.2	-177.8	0	0	111.7	W407 N449 S450	W407-E447 PolarHBondContact NE1-O 3.01Å; E447-N449 PolarHBondContact O-N 2.95Å; E447-S450 PolarHBondContact O-N 3.05Å; E447-S450 VanDerWaalsContact O-N 3.1Å
448	R	83.1	Confident	86.5	Confident	149 Å²	149	54.3 Å²	54.3	56%	0.562	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-61.6	-25	176.7	-65.2	-163.2	177.1	-167.2	-3.2	112.8	S450 C451 G454 D474	R448-S450 PolarHBondContact O-N 3.18Å; R448-C451 PolarHBondContact O-N 3.39Å; R448-C451 PolarHBondContact O-SG 3.38Å; R448-G454 WeakPolarHBondContact O-CA 3.5Å; R448-D474 WeakPolarHBondContact CD-OD1 3.45Å; R448-D474 WeakPolarHBondContact CD-OD2 3.2Å; R448-D474 IonicContact CZ-OD1 3.54Å; R448-D474 IonicContact CZ-OD2 2.83Å; R448-D474 IonicContact NE-OD1 3.07Å; R448-D474 IonicContact NE-OD2 2.71Å; R448-D474 IonicContact NH1-OD1 2.73Å; R448-D474 PolarHBondContact NH1-OD1 3.35Å; R448-D474 IonicContact NH1-OD2 3.77Å; R448-D474 PolarHBondContact NH1-OD2 3.13Å
449	N	83.3	Confident	86.7	Confident	89 Å²	89	54.5 Å²	54.5	48%	0.476	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-63.7	-25.8	176.4	-82.6	-25.5	0	0	0	113.3	E447 C451 N455	E447-N449 PolarHBondContact O-N 2.95Å; N449-C451 VanDerWaalsContact C-N 3.33Å; N449-N455 PolarHBondContact O-ND2 3.07Å
450	S	85	Confident	87	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-86.3	-2.6	-178.8	-38	0	0	0	0	112.6	Q409 D442 G445 E447 R448	Q409-S450 PolarHBondContact NE2-O 3.49Å; D442-S450 WeakPolarHBondContact O-CA 3.34Å; D442-S450 WeakPolarHBondContact O-CB 3.36Å; D442-S450 PolarHBondContact OD2-OG 2.84Å; G445-S450 WeakPolarHBondContact CA-OG 3.35Å; G445-S450 VanDerWaalsContact O-CB 3.28Å; G445-S450 WeakPolarHBondContact O-CB 3.5Å; G445-S450 PolarHBondContact O-OG 2.8Å; E447-S450 PolarHBondContact O-N 3.05Å; E447-S450 VanDerWaalsContact O-N 3.1Å; R448-S450 PolarHBondContact O-N 3.18Å
451	C	88.7	Confident	87.6	Confident	4 Å²	4	45.3 Å²	45.3	3%	0.027	23%	0.225	C	C	.	.	S	Bend	trans	-111.7	148.2	174.3	74	0	0	0	0	112.3	W407 R448 N449 S453 G454 N455	W407-C451 HydrophobicContact CD2-CB 3.9Å; W407-C451 HydrophobicContact CE3-CB 4.48Å; W407-C451 HydrophobicContact CG-CB 3.95Å; R448-C451 PolarHBondContact O-N 3.39Å; R448-C451 PolarHBondContact O-SG 3.38Å; N449-C451 VanDerWaalsContact C-N 3.33Å; C451-S453 PolarHBondContact O-N 3.28Å; C451-S453 PolarHBondContact SG-OG 3.31Å; C451-G454 PolarHBondContact O-N 3.5Å; C451-N455 PolarHBondContact O-ND2 3.46Å; C451-N455 VanDerWaalsContact O-ND2 3.07Å
452	I	91.7	Very high	87.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-3.1	-175.9	60.1	174.1	0	0	0	115.2	T437 I441 S458 S460 A525 W527	T437-I452 HydrophobicContact CG2-CG2 4.3Å; I441-I452 HydrophobicContact CD1-CG2 3.85Å; I452-S458 WeakPolarHBondContact O-CB 3.43Å; I452-S460 PolarHBondContact O-OG 2.89Å; I452-A525 HydrophobicContact CD1-CB 4.26Å; I452-A525 HydrophobicContact CG2-CB 3.72Å; I452-W527 HydrophobicContact CD1-CB 4.23Å
453	S	88.1	Confident	88.2	Confident	8 Å²	8	44.3 Å²	44.3	6%	0.056	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-19.8	176.3	57.2	0	0	0	0	113.4	C451 D474	C451-S453 PolarHBondContact O-N 3.28Å; C451-S453 PolarHBondContact SG-OG 3.31Å; S453-D474 WeakPolarHBondContact O-CA 3.19Å; S453-D474 PolarHBondContact O-N 3.02Å
454	G	81.9	Confident	88.3	Confident	9 Å²	9	45.6 Å²	45.6	9%	0.093	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-5.3	-165.5	0	0	0	0	0	116.4	R448 C451	R448-G454 WeakPolarHBondContact O-CA 3.5Å; C451-G454 PolarHBondContact O-N 3.5Å
455	N	86.2	Confident	88.6	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.011	22%	0.215	C	C	.	.	S	Bend	trans	-114.5	166.5	-176.7	66.6	61.2	0	0	0	112.9	N449 C451 F457 S458 S473	N449-N455 PolarHBondContact O-ND2 3.07Å; C451-N455 PolarHBondContact O-ND2 3.46Å; C451-N455 VanDerWaalsContact O-ND2 3.07Å; N455-F457 HydrophobicContact CB-CD1 4.26Å; N455-F457 HydrophobicContact CB-CE1 3.79Å; N455-F457 HydrophobicContact CB-CE2 4.13Å; N455-F457 HydrophobicContact CB-CZ 3.71Å; N455-F457 VanDerWaalsContact CG-CZ 3.49Å; N455-F457 WeakPolarHBondContact OD1-CD2 3.37Å; N455-F457 VanDerWaalsContact OD1-CE2 3.31Å; N455-F457 WeakPolarHBondContact OD1-CE2 3.4Å; N455-F457 PolarHBondContact OD1-N 2.99Å; N455-S458 VanDerWaalsContact CG-OG 3.24Å; N455-S458 PolarHBondContact ND2-OG 3.26Å; N455-S458 WeakPolarHBondContact OD1-CB 3.39Å; N455-S458 PolarHBondContact OD1-N 3.42Å; N455-S458 PolarHBondContact OD1-OG 3.44Å; N455-S473 WeakPolarHBondContact O-CA 3.47Å; N455-S473 PolarHBondContact O-N 3.24Å
456	S	86	Confident	89.3	Confident	83 Å²	83	48.8 Å²	48.8	58%	0.58	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	0.3	-175.6	63.3	0	0	0	0	115.2	H472 S473	S456-H472 PolarHBondContact O-CE1 3.28Å; S456-S473 VanDerWaalsContact CA-OG 3.29Å; S456-S473 WeakPolarHBondContact CA-OG 3.44Å
457	F	88	Confident	89.7	Confident	64 Å²	64	46.3 Å²	46.3	28%	0.281	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	13.8	-179.2	52.9	-100.8	0	0	0	112.4	C438 I441 N455 W459	C438-F457 HydrophobicContact CB-CD2 4.24Å; I441-F457 HydrophobicContact CB-CE2 3.87Å; I441-F457 HydrophobicContact CG1-CE2 4.13Å; N455-F457 HydrophobicContact CB-CD1 4.26Å; N455-F457 HydrophobicContact CB-CE1 3.79Å; N455-F457 HydrophobicContact CB-CE2 4.13Å; N455-F457 HydrophobicContact CB-CZ 3.71Å; N455-F457 VanDerWaalsContact CG-CZ 3.49Å; N455-F457 WeakPolarHBondContact OD1-CD2 3.37Å; N455-F457 VanDerWaalsContact OD1-CE2 3.31Å; N455-F457 WeakPolarHBondContact OD1-CE2 3.4Å; N455-F457 PolarHBondContact OD1-N 2.99Å; F457-W459 WeakPolarHBondContact O-CZ3 3.33Å
458	S	92.1	Very high	90.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.5	173.3	-55.2	0	0	0	0	110.2	L436 T437 I452 N455 H472	L436-S458 VanDerWaalsContact O-CA 3.27Å; L436-S458 WeakPolarHBondContact O-CA 3.37Å; T437-S458 WeakPolarHBondContact CB-OG 3.34Å; T437-S458 PolarHBondContact OG1-OG 2.88Å; I452-S458 WeakPolarHBondContact O-CB 3.43Å; N455-S458 VanDerWaalsContact CG-OG 3.24Å; N455-S458 PolarHBondContact ND2-OG 3.26Å; N455-S458 WeakPolarHBondContact OD1-CB 3.39Å; N455-S458 PolarHBondContact OD1-N 3.42Å; N455-S458 PolarHBondContact OD1-OG 3.44Å; S458-H472 PolarHBondContact O-ND1 3.28Å
459	W	95.6	Very high	91	Very high	12 Å²	12	33 Å²	33	5%	0.045	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	120	176.6	-58.9	-93	0	0	0	107.6	G435 L436 F457 H472 L498 F514 C516 F518	G435-W459 CarbonylContact C-O 3.58Å; G435-W459 WeakPolarHBondContact CA-O 3.37Å; L436-W459 PolarHBondContact N-O 3.05Å; L436-W459 PolarHBondContact O-N 3.38Å; F457-W459 WeakPolarHBondContact O-CZ3 3.33Å; W459-H472 AromaticContact CD1-CE1 3.82Å; W459-H472 AromaticContact CD1-CG 3.69Å; W459-H472 AromaticContact CD1-ND1 3.3Å; W459-H472 VanDerWaalsContact CD1-ND1 3.3Å; W459-H472 AromaticContact CE2-CE1 3.69Å; W459-H472 AromaticContact CE2-ND1 3.81Å; W459-H472 AromaticContact CG-ND1 3.94Å; W459-H472 AromaticContact NE1-CE1 3.21Å; W459-H472 PolarHBondContact NE1-CE1 3.36Å; W459-H472 AromaticContact NE1-CG 3.82Å; W459-H472 AromaticContact NE1-ND1 3.21Å; W459-H472 PolarHBondContact NE1-ND1 2.92Å; W459-H472 AromaticContact NE1-NE2 3.83Å; W459-L498 HydrophobicContact CB-CD2 3.6Å; W459-L498 HydrophobicContact CG-CD2 4.44Å; W459-F514 HydrophobicContact CB-CD1 4.48Å; W459-F514 HydrophobicContact CB-CD2 4Å; W459-F514 HydrophobicContact CB-CE2 4.12Å; W459-F514 HydrophobicContact CB-CG 4.16Å; W459-F514 HydrophobicContact CB-CZ 4.41Å; W459-F514 AromaticContact CD1-CD1 3.7Å; W459-F514 AromaticContact CD1-CG 3.81Å; W459-F514 HydrophobicContact CG-CB 4.47Å; W459-F514 HydrophobicContact CG-CD1 4.47Å; W459-F514 HydrophobicContact CG-CG 4.3Å; W459-C516 HydrophobicContact CD2-CB 4.4Å; W459-C516 HydrophobicContact CH2-CB 4.4Å; W459-C516 HydrophobicContact CZ2-CB 3.97Å; W459-F518 HydrophobicContact CE3-CE1 4.11Å; W459-F518 HydrophobicContact CH2-CD1 4.15Å; W459-F518 HydrophobicContact CH2-CE1 4.31Å; W459-F518 AromaticContact CZ3-CD1 3.97Å; W459-F518 HydrophobicContact CZ3-CD1 3.97Å; W459-F518 AromaticContact CZ3-CE1 3.86Å; W459-F518 HydrophobicContact CZ3-CE1 3.86Å
460	S	96.4	Very high	91.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	156.1	-176.9	59.6	0	0	0	0	112.6	V434 I452 W471	V434-S460 CarbonylContact O-C 3.52Å; V434-S460 VanDerWaalsContact O-CA 3.31Å; V434-S460 WeakPolarHBondContact O-CA 3.39Å; I452-S460 PolarHBondContact O-OG 2.89Å; S460-W471 PolarHBondContact N-O 3.35Å; S460-W471 PolarHBondContact O-N 2.78Å
461	I	96.7	Very high	92.1	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.9	164.6	58.6	167.2	0	0	0	108.9	Y433 V434 F468 T469 L479 L487 F500 H512 F514	Y433-I461 CarbonylContact C-O 3.53Å; Y433-I461 VanDerWaalsContact CA-O 3.24Å; Y433-I461 WeakPolarHBondContact CA-O 3.24Å; V434-I461 HydrophobicContact CB-CG1 4.44Å; V434-I461 PolarHBondContact N-O 2.79Å; V434-I461 WeakPolarHBondContact O-CG1 3.36Å; V434-I461 PolarHBondContact O-N 3.16Å; I461-F468 HydrophobicContact CD1-CD1 4.33Å; I461-F468 HydrophobicContact CD1-CE1 4.35Å; I461-T469 CarbonylContact C-O 3.59Å; I461-T469 WeakPolarHBondContact CA-O 3.44Å; I461-L479 HydrophobicContact CG2-CD1 4.39Å; I461-L487 HydrophobicContact CD1-CD1 3.74Å; I461-L487 HydrophobicContact CD1-CD2 4.48Å; I461-F500 HydrophobicContact CD1-CB 3.8Å; I461-F500 HydrophobicContact CD1-CD1 3.35Å; I461-F500 HydrophobicContact CD1-CE1 4.03Å; I461-F500 HydrophobicContact CD1-CG 3.66Å; I461-F500 HydrophobicContact CG1-CD1 3.59Å; I461-F500 HydrophobicContact CG1-CE1 3.73Å; I461-F500 HydrophobicContact CG1-CG 4.01Å; I461-F500 HydrophobicContact CG1-CZ 4.28Å; I461-F500 HydrophobicContact CG2-CB 4.41Å; I461-F500 HydrophobicContact CG2-CD1 4.28Å; I461-F500 HydrophobicContact CG2-CD2 3.71Å; I461-F500 HydrophobicContact CG2-CE1 4.49Å; I461-F500 HydrophobicContact CG2-CE2 3.97Å; I461-F500 HydrophobicContact CG2-CG 3.87Å; I461-F500 HydrophobicContact CG2-CZ 4.34Å; I461-H512 HydrophobicContact CG2-CB 4.47Å; I461-F514 HydrophobicContact CG2-CE2 4.43Å
462	H	95.7	Very high	92.2	Very high	21 Å²	21	32.9 Å²	32.9	10%	0.097	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125	-179.1	165.8	-131.8	0	0	0	110.1	T432 Y433 F468 T469 W471	T432-H462 WeakPolarHBondContact O-CA 3.49Å; Y433-H462 HydrophobicContact CD1-CB 3.52Å; Y433-H462 HydrophobicContact CD2-CB 4.31Å; Y433-H462 AromaticContact CD2-CD2 3.56Å; Y433-H462 HydrophobicContact CE1-CB 3.42Å; Y433-H462 VanDerWaalsContact CE1-CB 3.42Å; Y433-H462 AromaticContact CE1-CD2 3.99Å; Y433-H462 AromaticContact CE1-CG 3.59Å; Y433-H462 HydrophobicContact CE2-CB 4.22Å; Y433-H462 AromaticContact CE2-CD2 3.15Å; Y433-H462 WeakPolarHBondContact CE2-CD2 3.38Å; Y433-H462 AromaticContact CE2-CG 3.66Å; Y433-H462 AromaticContact CE2-NE2 3.6Å; Y433-H462 HydrophobicContact CG-CB 3.94Å; Y433-H462 AromaticContact CZ-CD2 3.36Å; Y433-H462 AromaticContact CZ-CE1 3.96Å; Y433-H462 AromaticContact CZ-CG 3.34Å; Y433-H462 AromaticContact CZ-ND1 3.75Å; Y433-H462 AromaticContact CZ-NE2 3.8Å; Y433-H462 PolarHBondContact OH-ND1 2.75Å; H462-F468 CarbonylContact O-C 3.55Å; H462-F468 VanDerWaalsContact O-CA 3.3Å; H462-F468 WeakPolarHBondContact O-CA 3.29Å; H462-T469 WeakPolarHBondContact CB-OG1 3.48Å; H462-T469 PolarHBondContact N-O 3.17Å; H462-T469 PolarHBondContact ND1-OG1 2.79Å; H462-T469 VanDerWaalsContact ND1-OG1 3.16Å; H462-T469 PolarHBondContact O-N 3.27Å; H462-T469 PolarHBondContact O-OG1 3.5Å; H462-W471 AromaticContact ND1-NE1 3.9Å
463	W	95.1	Very high	92	Very high	34 Å²	34	35 Å²	35	13%	0.129	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.8	170.1	174.3	-118.7	0	0	0	109.5	L427 G429 G431 T432 G465 K466 E467 F468 P483	L427-W463 HydrophobicContact CD1-CB 4.01Å; L427-W463 HydrophobicContact CD1-CG 4.4Å; G429-W463 VanDerWaalsContact O-CD1 3.28Å; G431-W463 VanDerWaalsContact CA-O 3.28Å; G431-W463 WeakPolarHBondContact CA-O 3.26Å; G431-W463 PolarHBondContact N-O 3.19Å; T432-W463 PolarHBondContact N-O 2.83Å; T432-W463 PolarHBondContact O-N 3.01Å; W463-G465 VanDerWaalsContact CE2-CA 3.45Å; W463-G465 WeakPolarHBondContact CZ2-O 3.48Å; W463-K466 WeakPolarHBondContact CH2-O 3.17Å; W463-K466 WeakPolarHBondContact CZ3-O 3.42Å; W463-E467 VanDerWaalsContact CZ3-CA 3.48Å; W463-E467 VanDerWaalsContact CZ3-N 3.3Å; W463-F468 HydrophobicContact CB-CD1 3.98Å; W463-F468 HydrophobicContact CB-CE1 3.67Å; W463-F468 HydrophobicContact CB-CZ 4.39Å; W463-F468 HydrophobicContact CD2-CE1 4.33Å; W463-F468 HydrophobicContact CD2-CZ 4.26Å; W463-F468 HydrophobicContact CE3-CD1 4.05Å; W463-F468 AromaticContact CE3-CD2 3.8Å; W463-F468 HydrophobicContact CE3-CD2 3.8Å; W463-F468 AromaticContact CE3-CE1 3.99Å; W463-F468 HydrophobicContact CE3-CE1 3.99Å; W463-F468 AromaticContact CE3-CE2 3.74Å; W463-F468 HydrophobicContact CE3-CE2 3.74Å; W463-F468 AromaticContact CE3-CG 3.95Å; W463-F468 HydrophobicContact CE3-CG 3.95Å; W463-F468 AromaticContact CE3-CZ 3.83Å; W463-F468 HydrophobicContact CE3-CZ 3.83Å; W463-F468 HydrophobicContact CG-CE1 4.24Å; W463-F468 HydrophobicContact CZ3-CD2 4.08Å; W463-F468 HydrophobicContact CZ3-CE2 4.07Å; W463-P483 HydrophobicContact CH2-CB 3.59Å; W463-P483 HydrophobicContact CZ2-CB 4.22Å; W463-P483 HydrophobicContact CZ3-CB 4.13Å
464	N	92.1	Very high	92	Very high	48 Å²	48	37.8 Å²	37.8	26%	0.257	20%	0.2	S	C	.	.			trans	-87	-6.8	-178.4	69	14	0	0	0	113.8	K466 E467	N464-K466 WeakPolarHBondContact OD1-CA 3.41Å; N464-K466 PolarHBondContact OD1-N 3.43Å; N464-E467 PolarHBondContact N-O 3.31Å; N464-E467 PolarHBondContact OD1-N 3.36Å; N464-E467 PolarHBondContact OD1-O 3.06Å
465	G	90.9	Very high	92.4	Very high	38 Å²	38	41.3 Å²	41.3	39%	0.392	22%	0.22	S	C	.	.	S	Bend	trans	105.4	-7.4	-172.2	0	0	0	0	0	114.7	W463	W463-G465 VanDerWaalsContact CE2-CA 3.45Å; W463-G465 WeakPolarHBondContact CZ2-O 3.48Å
466	K	91.6	Very high	92.7	Very high	184 Å²	184	46.1 Å²	46.1	80%	0.8	24%	0.243	S	C	*	.	S	Bend	trans	-131	-43.8	178.8	-64.8	-176.4	179.3	-179.2	0	112.6	W463 N464	W463-K466 WeakPolarHBondContact CH2-O 3.17Å; W463-K466 WeakPolarHBondContact CZ3-O 3.42Å; N464-K466 WeakPolarHBondContact OD1-CA 3.41Å; N464-K466 PolarHBondContact OD1-N 3.43Å
467	E	93.4	Very high	93.1	Very high	91 Å²	91	45.3 Å²	45.3	43%	0.425	23%	0.234	S	C	.	.			trans	-143.9	162.8	-178.1	64.8	-171.3	173.2	0	0	111.3	W463 N464	W463-E467 VanDerWaalsContact CZ3-CA 3.48Å; W463-E467 VanDerWaalsContact CZ3-N 3.3Å; N464-E467 PolarHBondContact N-O 3.31Å; N464-E467 PolarHBondContact OD1-N 3.36Å; N464-E467 PolarHBondContact OD1-O 3.06Å
468	F	95.4	Very high	93.4	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	147.3	172.3	-72.6	-81.2	0	0	0	111	L427 I461 H462 W463 L479 V481 F484 L487 I511	L427-F468 HydrophobicContact CD1-CE1 4.22Å; I461-F468 HydrophobicContact CD1-CD1 4.33Å; I461-F468 HydrophobicContact CD1-CE1 4.35Å; H462-F468 CarbonylContact O-C 3.55Å; H462-F468 VanDerWaalsContact O-CA 3.3Å; H462-F468 WeakPolarHBondContact O-CA 3.29Å; W463-F468 HydrophobicContact CB-CD1 3.98Å; W463-F468 HydrophobicContact CB-CE1 3.67Å; W463-F468 HydrophobicContact CB-CZ 4.39Å; W463-F468 HydrophobicContact CD2-CE1 4.33Å; W463-F468 HydrophobicContact CD2-CZ 4.26Å; W463-F468 HydrophobicContact CE3-CD1 4.05Å; W463-F468 AromaticContact CE3-CD2 3.8Å; W463-F468 HydrophobicContact CE3-CD2 3.8Å; W463-F468 AromaticContact CE3-CE1 3.99Å; W463-F468 HydrophobicContact CE3-CE1 3.99Å; W463-F468 AromaticContact CE3-CE2 3.74Å; W463-F468 HydrophobicContact CE3-CE2 3.74Å; W463-F468 AromaticContact CE3-CG 3.95Å; W463-F468 HydrophobicContact CE3-CG 3.95Å; W463-F468 AromaticContact CE3-CZ 3.83Å; W463-F468 HydrophobicContact CE3-CZ 3.83Å; W463-F468 HydrophobicContact CG-CE1 4.24Å; W463-F468 HydrophobicContact CZ3-CD2 4.08Å; W463-F468 HydrophobicContact CZ3-CE2 4.07Å; F468-L479 HydrophobicContact CB-CB 4.1Å; F468-L479 HydrophobicContact CB-CD1 3.93Å; F468-L479 HydrophobicContact CB-CG 4.47Å; F468-L479 WeakPolarHBondContact O-CA 3.48Å; F468-L479 VanDerWaalsContact O-CB 3.27Å; F468-L479 WeakPolarHBondContact O-CB 3.34Å; F468-L479 PolarHBondContact O-N 3.21Å; F468-V481 HydrophobicContact CB-CG2 4.23Å; F468-V481 HydrophobicContact CD2-CG2 3.84Å; F468-V481 HydrophobicContact CG-CG2 4.45Å; F468-F484 HydrophobicContact CE2-CB 4.35Å; F468-F484 HydrophobicContact CE2-CD2 4.33Å; F468-F484 HydrophobicContact CZ-CB 4.46Å; F468-L487 HydrophobicContact CE1-CD1 4.15Å; F468-L487 HydrophobicContact CE1-CD2 4.21Å; F468-L487 HydrophobicContact CZ-CD2 3.88Å; F468-I511 HydrophobicContact CB-CG2 4.43Å; F468-I511 HydrophobicContact CE2-CD1 4.34Å; F468-I511 HydrophobicContact CG-CG2 4.43Å; F468-I511 HydrophobicContact CZ-CD1 4.47Å
469	T	96.2	Very high	93.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.2	173.9	53.5	0	0	0	0	108.3	I461 H462 W471 E476 T477	I461-T469 CarbonylContact C-O 3.59Å; I461-T469 WeakPolarHBondContact CA-O 3.44Å; H462-T469 WeakPolarHBondContact CB-OG1 3.48Å; H462-T469 PolarHBondContact N-O 3.17Å; H462-T469 PolarHBondContact ND1-OG1 2.79Å; H462-T469 VanDerWaalsContact ND1-OG1 3.16Å; H462-T469 PolarHBondContact O-N 3.27Å; H462-T469 PolarHBondContact O-OG1 3.5Å; T469-W471 PolarHBondContact OG1-NE1 2.64Å; T469-E476 HydrophobicContact CG2-CG 4.35Å; T469-E476 WeakPolarHBondContact CG2-OE1 3.47Å; T469-T477 CarbonylContact C-O 3.59Å; T469-T477 WeakPolarHBondContact CA-O 3.16Å
470	A	96.5	Very high	93.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	138.5	174.2	0	0	0	0	0	109.8	E476 T477 L479 F514	A470-E476 CarbonylContact O-C 3.47Å; A470-E476 WeakPolarHBondContact O-CA 3.45Å; A470-T477 PolarHBondContact N-O 2.7Å; A470-T477 PolarHBondContact O-N 2.74Å; A470-L479 HydrophobicContact CB-CD1 4.1Å; A470-L479 HydrophobicContact CB-CD2 4.04Å; A470-L479 HydrophobicContact CB-CG 4.27Å; A470-F514 HydrophobicContact CB-CE1 4.22Å; A470-F514 HydrophobicContact CB-CZ 3.73Å
471	W	95.2	Very high	92.8	Very high	34 Å²	34	58.4 Å²	58.4	13%	0.129	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.4	-177.5	-70.9	82.1	0	0	0	111	Y433 S460 H462 T469 T475 E476	Y433-W471 AromaticContact CE1-CD1 3.99Å; Y433-W471 HydrophobicContact CE1-CG 4.3Å; S460-W471 PolarHBondContact N-O 3.35Å; S460-W471 PolarHBondContact O-N 2.78Å; H462-W471 AromaticContact ND1-NE1 3.9Å; T469-W471 PolarHBondContact OG1-NE1 2.64Å; W471-T475 WeakPolarHBondContact CA-O 3.49Å; W471-E476 HydrophobicContact CD2-CB 4.2Å; W471-E476 HydrophobicContact CD2-CG 4.39Å; W471-E476 HydrophobicContact CE3-CB 4.17Å; W471-E476 HydrophobicContact CH2-CB 3.69Å; W471-E476 HydrophobicContact CH2-CG 4.04Å; W471-E476 HydrophobicContact CZ2-CB 3.69Å; W471-E476 HydrophobicContact CZ2-CG 3.52Å; W471-E476 HydrophobicContact CZ3-CB 3.93Å
472	H	91.1	Very high	92.4	Very high	56 Å²	56	61.2 Å²	61.2	26%	0.259	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	136.9	172.7	174.4	62.5	0	0	0	109.5	S456 S458 W459 D474 T475 F514	S456-H472 PolarHBondContact O-CE1 3.28Å; S458-H472 PolarHBondContact O-ND1 3.28Å; W459-H472 AromaticContact CD1-CE1 3.82Å; W459-H472 AromaticContact CD1-CG 3.69Å; W459-H472 AromaticContact CD1-ND1 3.3Å; W459-H472 VanDerWaalsContact CD1-ND1 3.3Å; W459-H472 AromaticContact CE2-CE1 3.69Å; W459-H472 AromaticContact CE2-ND1 3.81Å; W459-H472 AromaticContact CG-ND1 3.94Å; W459-H472 AromaticContact NE1-CE1 3.21Å; W459-H472 PolarHBondContact NE1-CE1 3.36Å; W459-H472 AromaticContact NE1-CG 3.82Å; W459-H472 AromaticContact NE1-ND1 3.21Å; W459-H472 PolarHBondContact NE1-ND1 2.92Å; W459-H472 AromaticContact NE1-NE2 3.83Å; H472-D474 VanDerWaalsContact C-N 3.26Å; H472-D474 PolarHBondContact O-N 2.88Å; H472-T475 PolarHBondContact N-O 2.86Å; H472-T475 VanDerWaalsContact O-CB 3.31Å; H472-T475 WeakPolarHBondContact O-CB 3.46Å; H472-T475 PolarHBondContact O-N 2.79Å; H472-F514 HydrophobicContact CB-CE1 4.02Å
473	S	88.4	Confident	92.2	Very high	46 Å²	46	64.1 Å²	64.1	32%	0.322	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	45.2	177.8	-59.7	0	0	0	0	113.3	N455 S456 T475	N455-S473 WeakPolarHBondContact O-CA 3.47Å; N455-S473 PolarHBondContact O-N 3.24Å; S456-S473 VanDerWaalsContact CA-OG 3.29Å; S456-S473 WeakPolarHBondContact CA-OG 3.44Å; S473-T475 PolarHBondContact O-N 3.36Å; S473-T475 PolarHBondContact O-OG1 2.81Å
474	D	86.8	Confident	92.1	Very high	66 Å²	66	63 Å²	63	35%	0.353	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	17	-179	-153.1	29.8	0	0	0	115.3	R448 S453 H472	R448-D474 WeakPolarHBondContact CD-OD1 3.45Å; R448-D474 WeakPolarHBondContact CD-OD2 3.2Å; R448-D474 IonicContact CZ-OD1 3.54Å; R448-D474 IonicContact CZ-OD2 2.83Å; R448-D474 IonicContact NE-OD1 3.07Å; R448-D474 IonicContact NE-OD2 2.71Å; R448-D474 IonicContact NH1-OD1 2.73Å; R448-D474 PolarHBondContact NH1-OD1 3.35Å; R448-D474 IonicContact NH1-OD2 3.77Å; R448-D474 PolarHBondContact NH1-OD2 3.13Å; S453-D474 WeakPolarHBondContact O-CA 3.19Å; S453-D474 PolarHBondContact O-N 3.02Å; H472-D474 VanDerWaalsContact C-N 3.26Å; H472-D474 PolarHBondContact O-N 2.88Å
475	T	90.7	Very high	92.1	Very high	83 Å²	83	69.5 Å²	69.5	51%	0.509	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.7	179.2	-56.1	0	0	0	0	110	W471 H472 S473	W471-T475 WeakPolarHBondContact CA-O 3.49Å; H472-T475 PolarHBondContact N-O 2.86Å; H472-T475 VanDerWaalsContact O-CB 3.31Å; H472-T475 WeakPolarHBondContact O-CB 3.46Å; H472-T475 PolarHBondContact O-N 2.79Å; S473-T475 PolarHBondContact O-N 3.36Å; S473-T475 PolarHBondContact O-OG1 2.81Å
476	E	93.8	Very high	92.3	Very high	104 Å²	104	68.4 Å²	68.4	49%	0.486	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.2	174.1	-175.5	175.4	-163.7	0	0	110.5	T469 A470 W471	T469-E476 HydrophobicContact CG2-CG 4.35Å; T469-E476 WeakPolarHBondContact CG2-OE1 3.47Å; A470-E476 CarbonylContact O-C 3.47Å; A470-E476 WeakPolarHBondContact O-CA 3.45Å; W471-E476 HydrophobicContact CD2-CB 4.2Å; W471-E476 HydrophobicContact CD2-CG 4.39Å; W471-E476 HydrophobicContact CE3-CB 4.17Å; W471-E476 HydrophobicContact CH2-CB 3.69Å; W471-E476 HydrophobicContact CH2-CG 4.04Å; W471-E476 HydrophobicContact CZ2-CB 3.69Å; W471-E476 HydrophobicContact CZ2-CG 3.52Å; W471-E476 HydrophobicContact CZ3-CB 3.93Å
477	T	94.1	Very high	92.5	Very high	66 Å²	66	59.6 Å²	59.6	41%	0.405	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	111.3	173.7	-57.5	0	0	0	0	109.7	T469 A470	T469-T477 CarbonylContact C-O 3.59Å; T469-T477 WeakPolarHBondContact CA-O 3.16Å; A470-T477 PolarHBondContact N-O 2.7Å; A470-T477 PolarHBondContact O-N 2.74Å
478	P	93.6	Very high	92.6	Very high	87 Å²	87	55.3 Å²	55.3	57%	0.565	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.4	-179.7	26.5	-32.9	0	0	0	111.7
479	L	93.5	Very high	92.7	Very high	14 Å²	14	55.3 Å²	55.3	7%	0.073	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.1	-177.7	-52	177.9	0	0	0	110.2	I461 F468 A470 V481 I511 H512	I461-L479 HydrophobicContact CG2-CD1 4.39Å; F468-L479 HydrophobicContact CB-CB 4.1Å; F468-L479 HydrophobicContact CB-CD1 3.93Å; F468-L479 HydrophobicContact CB-CG 4.47Å; F468-L479 WeakPolarHBondContact O-CA 3.48Å; F468-L479 VanDerWaalsContact O-CB 3.27Å; F468-L479 WeakPolarHBondContact O-CB 3.34Å; F468-L479 PolarHBondContact O-N 3.21Å; A470-L479 HydrophobicContact CB-CD1 4.1Å; A470-L479 HydrophobicContact CB-CD2 4.04Å; A470-L479 HydrophobicContact CB-CG 4.27Å; L479-V481 VanDerWaalsContact C-N 3.3Å; L479-V481 HydrophobicContact CB-CG2 4.21Å; L479-V481 PolarHBondContact O-N 3.46Å; L479-V481 VanDerWaalsContact O-N 3.12Å; L479-I511 HydrophobicContact CD1-CG2 3.74Å; L479-H512 HydrophobicContact CD1-CB 3.81Å; L479-H512 HydrophobicContact CD2-CB 4.26Å; L479-H512 WeakPolarHBondContact CD2-ND1 3.31Å
480	K	88.7	Confident	92.7	Very high	207 Å²	207	55.3 Å²	55.3	90%	0.9	29%	0.287	S	S	*	.			trans	-88.9	63.7	180	-63.2	-177.1	-178.7	179	0	111.3
481	V	90.2	Very high	92.7	Very high	42 Å²	42	55.2 Å²	55.2	26%	0.255	29%	0.287	S	S	.	.			trans	-121.6	157.5	-179.8	-64.4	0	0	0	0	111.1	F468 L479 I511	F468-V481 HydrophobicContact CB-CG2 4.23Å; F468-V481 HydrophobicContact CD2-CG2 3.84Å; F468-V481 HydrophobicContact CG-CG2 4.45Å; L479-V481 VanDerWaalsContact C-N 3.3Å; L479-V481 HydrophobicContact CB-CG2 4.21Å; L479-V481 PolarHBondContact O-N 3.46Å; L479-V481 VanDerWaalsContact O-N 3.12Å; V481-I511 HydrophobicContact CG2-CG1 4.36Å; V481-I511 HydrophobicContact CG2-CG2 4.03Å
482	S	88.4	Confident	92.6	Very high	61 Å²	61	53.9 Å²	53.9	43%	0.427	28%	0.282	S	S	.	.			trans	-62	154.3	174.6	45	0	0	0	0	111.9	F484	S482-F484 WeakPolarHBondContact O-CD2 3.25Å; S482-F484 VanDerWaalsContact O-CE2 3.29Å; S482-F484 WeakPolarHBondContact O-CE2 3.25Å; S482-F484 VanDerWaalsContact OG-CE2 3.27Å; S482-F484 WeakPolarHBondContact OG-CE2 3.42Å; S482-F484 WeakPolarHBondContact OG-CZ 3.32Å
483	P	91.4	Very high	92.5	Very high	83 Å²	83	52.2 Å²	52.2	54%	0.539	27%	0.274	S	S	.	.			trans	-65.6	135	173.2	27.6	-34.3	0	0	0	110.6	W463	W463-P483 HydrophobicContact CH2-CB 3.59Å; W463-P483 HydrophobicContact CZ2-CB 4.22Å; W463-P483 HydrophobicContact CZ3-CB 4.13Å
484	F	92.6	Very high	92.3	Very high	10 Å²	10	54.2 Å²	54.2	4%	0.044	29%	0.286	C	S	.	.			trans	-126.5	135	175.2	-67.5	-77.3	0	0	0	109.6	F468 S482 L487 E504 T509 I511	F468-F484 HydrophobicContact CE2-CB 4.35Å; F468-F484 HydrophobicContact CE2-CD2 4.33Å; F468-F484 HydrophobicContact CZ-CB 4.46Å; S482-F484 WeakPolarHBondContact O-CD2 3.25Å; S482-F484 VanDerWaalsContact O-CE2 3.29Å; S482-F484 WeakPolarHBondContact O-CE2 3.25Å; S482-F484 VanDerWaalsContact OG-CE2 3.27Å; S482-F484 WeakPolarHBondContact OG-CE2 3.42Å; S482-F484 WeakPolarHBondContact OG-CZ 3.32Å; F484-L487 HydrophobicContact CB-CD2 4.11Å; F484-E504 HydrophobicContact CD1-CG 4Å; F484-E504 HydrophobicContact CE1-CG 3.94Å; F484-T509 HydrophobicContact CE2-CG2 4.36Å; F484-T509 HydrophobicContact CZ-CG2 4.01Å; F484-I511 HydrophobicContact CD2-CD1 3.78Å; F484-I511 HydrophobicContact CD2-CG1 3.96Å; F484-I511 HydrophobicContact CE2-CD1 4.43Å; F484-I511 HydrophobicContact CE2-CG1 4.13Å; F484-I511 HydrophobicContact CG-CD1 4.44Å
485	R	92.5	Very high	92.2	Very high	185 Å²	185	53.1 Å²	53.1	70%	0.698	29%	0.29	S	S	*	.	S	Bend	trans	-82.5	-42.7	173.9	-69.3	-172	176.8	-150.8	0.8	111.8	E426 L427	E426-R485 WeakPolarHBondContact CA-O 3.29Å; L427-R485 PolarHBondContact N-O 3.04Å
486	R	95	Very high	92.2	Very high	14 Å²	14	49.9 Å²	49.9	5%	0.053	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.5	178.4	-169.6	177.8	-67.9	-168.7	2.3	110.1	E424 V425 V503 V538 E542 E543	E424-R486 HydrophobicContact CB-CG 4.47Å; E424-R486 WeakPolarHBondContact OE2-CD 3.48Å; E424-R486 IonicContact OE2-NH1 3.95Å; V425-R486 CarbonylContact O-C 3.52Å; V425-R486 WeakPolarHBondContact O-CA 3.49Å; R486-V503 HydrophobicContact CB-CB 4.37Å; R486-V503 HydrophobicContact CG-CB 4.17Å; R486-V503 PolarHBondContact O-N 3.24Å; R486-V538 HydrophobicContact CG-CG2 4.45Å; R486-E542 PolarHBondContact NH1-O 2.77Å; R486-E543 PolarHBondContact NH2-O 3.33Å
487	L	95.8	Very high	92.2	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.9	-180	-61.2	177.8	0	0	0	109.8	E424 V425 L427 V434 I461 F468 F484 I489 Y501 I511	E424-L487 CarbonylContact C-O 3.57Å; E424-L487 VanDerWaalsContact CA-O 3.24Å; E424-L487 WeakPolarHBondContact CA-O 3.35Å; V425-L487 HydrophobicContact CG2-CB 4.05Å; V425-L487 PolarHBondContact N-O 3.41Å; V425-L487 PolarHBondContact O-N 3.43Å; L427-L487 HydrophobicContact CD1-CD1 3.45Å; L427-L487 VanDerWaalsContact CD1-CD1 3.45Å; L427-L487 HydrophobicContact CD1-CG 4.21Å; L427-L487 HydrophobicContact CD2-CD1 4.37Å; L427-L487 HydrophobicContact CG-CD1 3.92Å; L427-L487 HydrophobicContact CG-CG 4.41Å; V434-L487 HydrophobicContact CG2-CD1 4.49Å; I461-L487 HydrophobicContact CD1-CD1 3.74Å; I461-L487 HydrophobicContact CD1-CD2 4.48Å; F468-L487 HydrophobicContact CE1-CD1 4.15Å; F468-L487 HydrophobicContact CE1-CD2 4.21Å; F468-L487 HydrophobicContact CZ-CD2 3.88Å; F484-L487 HydrophobicContact CB-CD2 4.11Å; L487-I489 HydrophobicContact CB-CD1 4.2Å; L487-I489 WeakPolarHBondContact O-CD1 3.09Å; L487-Y501 CarbonylContact C-O 3.56Å; L487-Y501 VanDerWaalsContact CA-O 3.23Å; L487-Y501 WeakPolarHBondContact CA-O 3.3Å; L487-I511 HydrophobicContact CD2-CD1 3.28Å
488	G	95.9	Very high	92.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.5	167.5	0	0	0	0	0	110.2	Y422 F500 Y501	Y422-G488 WeakPolarHBondContact OH-CA 3.41Å; G488-F500 WeakPolarHBondContact O-CA 3.5Å; G488-Y501 PolarHBondContact N-O 2.83Å; G488-Y501 PolarHBondContact O-N 2.81Å
489	I	97.2	Very high	92.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.2	178.7	-59.9	76.9	0	0	0	107.5	Y422 F423 V425 V434 L487 V491 L498 F500	Y422-I489 VanDerWaalsContact CA-O 3.3Å; Y422-I489 WeakPolarHBondContact CA-O 3.25Å; Y422-I489 WeakPolarHBondContact CD2-O 3.28Å; F423-I489 HydrophobicContact CD1-CB 4.24Å; F423-I489 HydrophobicContact CD2-CB 4.21Å; F423-I489 HydrophobicContact CD2-CD1 4Å; F423-I489 HydrophobicContact CD2-CG1 4.42Å; F423-I489 HydrophobicContact CE1-CB 3.77Å; F423-I489 HydrophobicContact CE1-CG2 3.69Å; F423-I489 HydrophobicContact CE2-CB 3.77Å; F423-I489 HydrophobicContact CE2-CD1 3.64Å; F423-I489 HydrophobicContact CE2-CG1 3.75Å; F423-I489 HydrophobicContact CE2-CG2 4.31Å; F423-I489 HydrophobicContact CG-CB 4.45Å; F423-I489 HydrophobicContact CZ-CB 3.53Å; F423-I489 HydrophobicContact CZ-CD1 4.27Å; F423-I489 HydrophobicContact CZ-CG1 3.85Å; F423-I489 HydrophobicContact CZ-CG2 3.57Å; F423-I489 PolarHBondContact N-O 2.72Å; F423-I489 VanDerWaalsContact N-O 3.11Å; F423-I489 PolarHBondContact O-N 3.21Å; V425-I489 HydrophobicContact CG1-CD1 4.34Å; V425-I489 HydrophobicContact CG2-CD1 3.81Å; V434-I489 HydrophobicContact CG1-CD1 4.15Å; V434-I489 HydrophobicContact CG1-CG1 4.14Å; L487-I489 HydrophobicContact CB-CD1 4.2Å; L487-I489 WeakPolarHBondContact O-CD1 3.09Å; I489-V491 HydrophobicContact CG2-CG2 4.35Å; I489-L498 HydrophobicContact CG2-CD1 3.7Å; I489-F500 HydrophobicContact CG1-CD1 3.87Å; I489-F500 HydrophobicContact CG1-CE1 3.89Å; I489-F500 HydrophobicContact CG2-CE1 4.27Å
490	Y	96.4	Very high	92.6	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129	176.4	174.9	-112.4	0	0	0	110.8	E353 P354 F360 Y363 R420 Y421 N492 S499	E353-Y490 VanDerWaalsContact OE2-CE1 3.24Å; E353-Y490 WeakPolarHBondContact OE2-CE1 3.33Å; E353-Y490 PolarHBondContact OE2-OH 3.45Å; P354-Y490 WeakPolarHBondContact CD-OH 3.29Å; P354-Y490 HydrophobicContact CG-CD2 4.45Å; P354-Y490 HydrophobicContact CG-CE1 4.28Å; P354-Y490 HydrophobicContact CG-CE2 3.92Å; F360-Y490 AromaticContact CD1-CD2 3.73Å; F360-Y490 HydrophobicContact CD1-CD2 3.73Å; F360-Y490 HydrophobicContact CD1-CE2 4.37Å; F360-Y490 AromaticContact CD1-CG 3.82Å; F360-Y490 HydrophobicContact CD1-CG 3.82Å; F360-Y490 AromaticContact CE1-CD1 3.9Å; F360-Y490 HydrophobicContact CE1-CD1 3.9Å; F360-Y490 AromaticContact CE1-CD2 3.89Å; F360-Y490 HydrophobicContact CE1-CD2 3.89Å; F360-Y490 HydrophobicContact CE1-CE1 4.47Å; F360-Y490 HydrophobicContact CE1-CE2 4.48Å; F360-Y490 AromaticContact CE1-CG 3.55Å; F360-Y490 HydrophobicContact CE1-CG 3.55Å; Y363-Y490 AromaticContact CD2-CE2 3.94Å; Y363-Y490 HydrophobicContact CD2-CE2 3.94Å; Y363-Y490 HydrophobicContact CE2-CE2 4.43Å; Y363-Y490 HydrophobicContact CG-CE2 4.29Å; R420-Y490 HydrophobicContact CB-CE2 4.21Å; R420-Y490 VanDerWaalsContact CD-OH 3.3Å; R420-Y490 WeakPolarHBondContact CD-OH 3.18Å; Y421-Y490 WeakPolarHBondContact O-CA 3.42Å; Y421-Y490 WeakPolarHBondContact O-CD2 3.43Å; Y490-N492 HydrophobicContact CE1-CB 3.87Å; Y490-S499 PolarHBondContact N-O 3.44Å; Y490-S499 PolarHBondContact O-N 3.35Å
491	V	95.1	Very high	93	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.9	179.7	-166.1	0	0	0	0	108	L416 R420 Y421 L436 I489 L498 F518	L416-V491 HydrophobicContact CD1-CG2 3.85Å; R420-V491 CarbonylContact C-O 3.45Å; R420-V491 WeakPolarHBondContact CA-O 3.26Å; Y421-V491 PolarHBondContact N-O 3.38Å; Y421-V491 PolarHBondContact O-N 2.79Å; L436-V491 HydrophobicContact CD1-CB 4.39Å; L436-V491 HydrophobicContact CD1-CG1 3.82Å; L436-V491 HydrophobicContact CD1-CG2 3.66Å; L436-V491 HydrophobicContact CD2-CG2 4.37Å; I489-V491 HydrophobicContact CG2-CG2 4.35Å; V491-L498 HydrophobicContact CG2-CD1 4.17Å; V491-F518 HydrophobicContact CG1-CE2 4.28Å; V491-F518 HydrophobicContact CG1-CZ 4.19Å
492	N	92.6	Very high	93.2	Very high	6 Å²	6	28 Å²	28	3%	0.032	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	85.9	167.7	177	8.9	0	0	0	108.1	E353 R420 Y490 P494 G495 G496 I497	E353-N492 PolarHBondContact OE1-ND2 3.42Å; R420-N492 HydrophobicContact CG-CB 4.09Å; R420-N492 PolarHBondContact NE-OD1 3.37Å; Y490-N492 HydrophobicContact CE1-CB 3.87Å; N492-P494 WeakPolarHBondContact OD1-CD 3.39Å; N492-G495 CarbonylContact O-C 3.46Å; N492-G495 PolarHBondContact O-N 2.62Å; N492-G495 PolarHBondContact OD1-N 2.7Å; N492-G495 VanDerWaalsContact OD1-N 3.09Å; N492-G496 PolarHBondContact O-N 3.25Å; N492-I497 HydrophobicContact CB-CB 4.21Å; N492-I497 PolarHBondContact N-O 3.05Å; N492-I497 PolarHBondContact O-N 2.8Å; N492-I497 VanDerWaalsContact O-N 3.07Å
493	F	89.3	Confident	93.5	Very high	21 Å²	21	25.4 Å²	25.4	9%	0.092	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-48.6	-175.5	-167.7	-77.5	0	0	0	112.2	Y417 L418 H419 G495 G496 F518 E520 V522	Y417-F493 HydrophobicContact CD2-CD1 4.46Å; Y417-F493 HydrophobicContact CD2-CD2 4.2Å; Y417-F493 AromaticContact CD2-CE1 3.77Å; Y417-F493 HydrophobicContact CD2-CE1 3.77Å; Y417-F493 AromaticContact CD2-CE2 3.46Å; Y417-F493 HydrophobicContact CD2-CE2 3.46Å; Y417-F493 VanDerWaalsContact CD2-CE2 3.46Å; Y417-F493 AromaticContact CD2-CZ 3.24Å; Y417-F493 HydrophobicContact CD2-CZ 3.24Å; Y417-F493 AromaticContact CE2-CE1 3.66Å; Y417-F493 HydrophobicContact CE2-CE1 3.66Å; Y417-F493 AromaticContact CE2-CE2 3.95Å; Y417-F493 HydrophobicContact CE2-CE2 3.95Å; Y417-F493 AromaticContact CE2-CZ 3.24Å; Y417-F493 HydrophobicContact CE2-CZ 3.24Å; L418-F493 VanDerWaalsContact N-CD1 3.31Å; H419-F493 WeakPolarHBondContact O-CB 3.45Å; H419-F493 PolarHBondContact O-N 3.5Å; H419-F493 VanDerWaalsContact O-N 3.15Å; F493-G495 VanDerWaalsContact C-N 3.27Å; F493-G495 PolarHBondContact O-N 3.26Å; F493-G496 PolarHBondContact O-N 3.28Å; F493-F518 HydrophobicContact CD2-CB 3.98Å; F493-F518 HydrophobicContact CD2-CD2 4.03Å; F493-F518 HydrophobicContact CD2-CG 4.02Å; F493-F518 HydrophobicContact CE1-CB 4.12Å; F493-F518 HydrophobicContact CE2-CB 3.43Å; F493-F518 VanDerWaalsContact CE2-CB 3.43Å; F493-F518 HydrophobicContact CE2-CD2 4.35Å; F493-F518 AromaticContact CE2-CG 3.9Å; F493-F518 HydrophobicContact CE2-CG 3.9Å; F493-F518 HydrophobicContact CG-CB 4.5Å; F493-F518 HydrophobicContact CG-CD2 4.29Å; F493-F518 HydrophobicContact CZ-CB 3.47Å; F493-F518 VanDerWaalsContact CZ-CB 3.47Å; F493-F518 HydrophobicContact CZ-CG 4.39Å; F493-E520 WeakPolarHBondContact CE2-O 3.43Å; F493-V522 HydrophobicContact CD2-CG2 4.41Å; F493-V522 HydrophobicContact CE2-CG2 4.47Å
494	P	84.9	Confident	93.4	Very high	87 Å²	87	25.9 Å²	25.9	57%	0.565	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.2	178	-21.4	34.3	0	0	0	113.9	L418 H419 N492	L418-P494 WeakPolarHBondContact O-CG 3.34Å; H419-P494 WeakPolarHBondContact O-CD 3.45Å; N492-P494 WeakPolarHBondContact OD1-CD 3.39Å
495	G	85.6	Confident	93	Very high	43 Å²	43	30.1 Å²	30.1	44%	0.443	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.7	177.9	0	0	0	0	0	114.2	N492 F493	N492-G495 CarbonylContact O-C 3.46Å; N492-G495 PolarHBondContact O-N 2.62Å; N492-G495 PolarHBondContact OD1-N 2.7Å; N492-G495 VanDerWaalsContact OD1-N 3.09Å; F493-G495 VanDerWaalsContact C-N 3.27Å; F493-G495 PolarHBondContact O-N 3.26Å
496	G	90.1	Very high	92.5	Very high	16 Å²	16	28 Å²	28	17%	0.165	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	39.1	-175.3	0	0	0	0	0	112.7	N492 F493 D515 C516	N492-G496 PolarHBondContact O-N 3.25Å; F493-G496 PolarHBondContact O-N 3.28Å; G496-D515 CarbonylContact O-C 3.54Å; G496-C516 CarbonylContact C-O 3.53Å; G496-C516 WeakPolarHBondContact CA-O 3.2Å; G496-C516 PolarHBondContact O-N 2.85Å
497	I	93.4	Very high	92.2	Very high	21 Å²	21	29.3 Å²	29.3	11%	0.108	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.5	-176.2	-65.9	164.5	0	0	0	110.3	N492 S499 K513	N492-I497 HydrophobicContact CB-CB 4.21Å; N492-I497 PolarHBondContact N-O 3.05Å; N492-I497 PolarHBondContact O-N 2.8Å; N492-I497 VanDerWaalsContact O-N 3.07Å; I497-S499 WeakPolarHBondContact CG2-OG 3.11Å; I497-K513 HydrophobicContact CG2-CD 4.16Å; I497-K513 VanDerWaalsContact CG2-CE 3.49Å; I497-K513 HydrophobicContact CG2-CG 4.04Å
498	L	96.5	Very high	91.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.4	164	170.2	60.8	0	0	0	108.5	L436 W459 I489 V491 F500 K513 F514 F518	L436-L498 HydrophobicContact CB-CD2 4.3Å; L436-L498 HydrophobicContact CD1-CD1 3.71Å; L436-L498 HydrophobicContact CD1-CD2 3.97Å; L436-L498 HydrophobicContact CD1-CG 4.31Å; L436-L498 HydrophobicContact CG-CD1 4Å; L436-L498 HydrophobicContact CG-CD2 3.93Å; W459-L498 HydrophobicContact CB-CD2 3.6Å; W459-L498 HydrophobicContact CG-CD2 4.44Å; I489-L498 HydrophobicContact CG2-CD1 3.7Å; V491-L498 HydrophobicContact CG2-CD1 4.17Å; L498-F500 HydrophobicContact CD1-CE2 4.06Å; L498-F500 HydrophobicContact CD1-CZ 4.08Å; L498-F500 HydrophobicContact CD2-CE2 3.59Å; L498-F500 HydrophobicContact CD2-CZ 3.73Å; L498-F500 HydrophobicContact CG-CD2 4.32Å; L498-F500 HydrophobicContact CG-CE2 3.56Å; L498-F500 HydrophobicContact CG-CZ 3.97Å; L498-K513 CarbonylContact O-C 3.57Å; L498-K513 WeakPolarHBondContact O-CA 3.2Å; L498-F514 HydrophobicContact CB-CB 4.33Å; L498-F514 HydrophobicContact CD2-CD2 4.08Å; L498-F514 HydrophobicContact CG-CD2 4.31Å; L498-F514 PolarHBondContact N-O 3.38Å; L498-F514 VanDerWaalsContact N-O 3.11Å; L498-F514 PolarHBondContact O-N 2.9Å; L498-F518 HydrophobicContact CB-CZ 4.28Å
499	S	96.9	Very high	91.8	Very high	3 Å²	3	34 Å²	34	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.5	179.8	-59.6	0	0	0	0	111.1	Y490 I497 Y501 H512	Y490-S499 PolarHBondContact N-O 3.44Å; Y490-S499 PolarHBondContact O-N 3.35Å; I497-S499 WeakPolarHBondContact CG2-OG 3.11Å; S499-Y501 VanDerWaalsContact CB-CE2 3.44Å; S499-H512 WeakPolarHBondContact CA-O 3.46Å
500	F	97.3	Very high	91.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.9	177.1	-63.9	-90.9	0	0	0	109.2	V434 I461 G488 I489 L498 I511 H512 F514	V434-F500 HydrophobicContact CG1-CE1 4.39Å; I461-F500 HydrophobicContact CD1-CB 3.8Å; I461-F500 HydrophobicContact CD1-CD1 3.35Å; I461-F500 HydrophobicContact CD1-CE1 4.03Å; I461-F500 HydrophobicContact CD1-CG 3.66Å; I461-F500 HydrophobicContact CG1-CD1 3.59Å; I461-F500 HydrophobicContact CG1-CE1 3.73Å; I461-F500 HydrophobicContact CG1-CG 4.01Å; I461-F500 HydrophobicContact CG1-CZ 4.28Å; I461-F500 HydrophobicContact CG2-CB 4.41Å; I461-F500 HydrophobicContact CG2-CD1 4.28Å; I461-F500 HydrophobicContact CG2-CD2 3.71Å; I461-F500 HydrophobicContact CG2-CE1 4.49Å; I461-F500 HydrophobicContact CG2-CE2 3.97Å; I461-F500 HydrophobicContact CG2-CG 3.87Å; I461-F500 HydrophobicContact CG2-CZ 4.34Å; G488-F500 WeakPolarHBondContact O-CA 3.5Å; I489-F500 HydrophobicContact CG1-CD1 3.87Å; I489-F500 HydrophobicContact CG1-CE1 3.89Å; I489-F500 HydrophobicContact CG2-CE1 4.27Å; L498-F500 HydrophobicContact CD1-CE2 4.06Å; L498-F500 HydrophobicContact CD1-CZ 4.08Å; L498-F500 HydrophobicContact CD2-CE2 3.59Å; L498-F500 HydrophobicContact CD2-CZ 3.73Å; L498-F500 HydrophobicContact CG-CD2 4.32Å; L498-F500 HydrophobicContact CG-CE2 3.56Å; L498-F500 HydrophobicContact CG-CZ 3.97Å; F500-I511 HydrophobicContact CB-CB 4.3Å; F500-I511 WeakPolarHBondContact O-CB 3.46Å; F500-I511 PolarHBondContact O-N 2.89Å; F500-H512 PolarHBondContact N-O 2.8Å; F500-H512 PolarHBondContact O-N 3.3Å; F500-F514 HydrophobicContact CD2-CD2 4.26Å; F500-F514 HydrophobicContact CD2-CE2 4.12Å; F500-F514 AromaticContact CE2-CD2 3.74Å; F500-F514 HydrophobicContact CE2-CD2 3.74Å; F500-F514 AromaticContact CE2-CE2 3.56Å; F500-F514 HydrophobicContact CE2-CE2 3.56Å
501	Y	96.1	Very high	91.7	Very high	35 Å²	35	38.3 Å²	38.3	14%	0.137	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.6	-178.9	-64.7	-93.9	0	0	0	110.4	F360 L487 G488 S499 M508 T509 L510	F360-Y501 HydrophobicContact CE1-CD2 4.36Å; F360-Y501 AromaticContact CE1-CE2 3.69Å; F360-Y501 HydrophobicContact CE1-CE2 3.69Å; F360-Y501 HydrophobicContact CE2-CE1 4.46Å; F360-Y501 HydrophobicContact CE2-CE2 4.48Å; F360-Y501 HydrophobicContact CZ-CD2 4.25Å; F360-Y501 HydrophobicContact CZ-CE1 4.01Å; F360-Y501 AromaticContact CZ-CE2 3.55Å; F360-Y501 HydrophobicContact CZ-CE2 3.55Å; F360-Y501 AromaticContact CZ-CZ 3.43Å; F360-Y501 VanDerWaalsContact CZ-CZ 3.43Å; L487-Y501 CarbonylContact C-O 3.56Å; L487-Y501 VanDerWaalsContact CA-O 3.23Å; L487-Y501 WeakPolarHBondContact CA-O 3.3Å; G488-Y501 PolarHBondContact N-O 2.83Å; G488-Y501 PolarHBondContact O-N 2.81Å; S499-Y501 VanDerWaalsContact CB-CE2 3.44Å; Y501-M508 VanDerWaalsContact CB-CE 3.41Å; Y501-M508 HydrophobicContact CD1-CE 4.03Å; Y501-M508 HydrophobicContact CD1-CG 3.91Å; Y501-M508 HydrophobicContact CD1-SD 4.49Å; Y501-M508 HydrophobicContact CD2-CE 3.67Å; Y501-M508 HydrophobicContact CE2-CE 4.43Å; Y501-M508 HydrophobicContact CG-CE 3.44Å; Y501-M508 VanDerWaalsContact CG-CE 3.44Å; Y501-M508 HydrophobicContact CG-CG 4.06Å; Y501-M508 HydrophobicContact CG-SD 4.42Å; Y501-T509 CarbonylContact C-O 3.57Å; Y501-T509 WeakPolarHBondContact CA-O 3.44Å; Y501-L510 HydrophobicContact CD1-CB 4.05Å; Y501-L510 HydrophobicContact CD1-CD1 4.08Å; Y501-L510 HydrophobicContact CE1-CB 3.84Å; Y501-L510 HydrophobicContact CE1-CD1 3.58Å; Y501-L510 HydrophobicContact CE1-CG 4.31Å; Y501-L510 HydrophobicContact CE2-CD1 4.18Å
502	G	95.2	Very high	91.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.9	162.8	0	0	0	0	0	109	M508 T509 I511	G502-M508 CarbonylContact O-C 3.39Å; G502-M508 WeakPolarHBondContact O-CA 3.48Å; G502-T509 PolarHBondContact N-O 2.82Å; G502-T509 PolarHBondContact O-N 3.38Å; G502-I511 VanDerWaalsContact N-CD1 3.3Å
503	V	93	Very high	91.9	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.3	-177.7	-176.9	0	0	0	0	108.9	R486 M508 P544	R486-V503 HydrophobicContact CB-CB 4.37Å; R486-V503 HydrophobicContact CG-CB 4.17Å; R486-V503 PolarHBondContact O-N 3.24Å; V503-M508 HydrophobicContact CG2-CE 4.36Å; V503-M508 HydrophobicContact CG2-CG 4.42Å; V503-P544 HydrophobicContact CG1-CG 3.95Å
504	E	90.3	Very high	92.2	Very high	93 Å²	93	44.4 Å²	44.4	44%	0.435	24%	0.244	S	C	.	.			trans	-114.7	174.8	170.8	-65.4	-178.5	156.3	0	0	109.1	F484 D506 A507	F484-E504 HydrophobicContact CD1-CG 4Å; F484-E504 HydrophobicContact CE1-CG 3.94Å; E504-D506 VanDerWaalsContact C-N 3.33Å; E504-D506 PolarHBondContact O-N 3.31Å; E504-A507 PolarHBondContact N-O 3.48Å
505	Y	83.1	Confident	92.6	Very high	99 Å²	99	46.3 Å²	46.3	39%	0.388	25%	0.25	S	C	.	.	S	Bend	trans	-55	-43.8	-172.9	-175.3	-101.7	0	0	0	113.8	E543 P544 K546	Y505-E543 HydrophobicContact CE2-CB 4.46Å; Y505-E543 VanDerWaalsContact CE2-OE2 3.27Å; Y505-E543 WeakPolarHBondContact CE2-OE2 3.42Å; Y505-E543 PolarHBondContact OH-OE2 3.4Å; Y505-P544 WeakPolarHBondContact CD2-O 3.38Å; Y505-K546 HydrophobicContact CD1-CG 4.39Å; Y505-K546 HydrophobicContact CD2-CB 4.25Å; Y505-K546 HydrophobicContact CG-CB 4.39Å; Y505-K546 HydrophobicContact CG-CG 4.4Å
506	D	82.1	Confident	92.8	Very high	141 Å²	141	44.7 Å²	44.7	75%	0.754	23%	0.231	S	C	*	.	S	Bend	trans	-121.7	2.4	-174.6	61.2	-16.3	0	0	0	113.7	E504	E504-D506 VanDerWaalsContact C-N 3.33Å; E504-D506 PolarHBondContact O-N 3.31Å
507	A	88.5	Confident	92.5	Very high	41 Å²	41	51.4 Å²	51.4	34%	0.339	26%	0.256	S	S	.	.			trans	-139.5	141.9	-175.1	0	0	0	0	0	112.5	E504	E504-A507 PolarHBondContact N-O 3.48Å
508	M	91.3	Very high	92	Very high	41 Å²	41	51.8 Å²	51.8	20%	0.202	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.8	171.3	-169.2	171.4	-174.5	0	0	108.6	R357 F360 Y422 Y501 G502 V503	R357-M508 HydrophobicContact CB-SD 4.41Å; F360-M508 HydrophobicContact CB-CE 4.5Å; F360-M508 HydrophobicContact CD1-CE 4.27Å; F360-M508 HydrophobicContact CD2-CE 3.46Å; F360-M508 VanDerWaalsContact CD2-CE 3.46Å; F360-M508 HydrophobicContact CD2-SD 3.36Å; F360-M508 WeakPolarHBondContact CD2-SD 3.39Å; F360-M508 HydrophobicContact CE1-CE 4.4Å; F360-M508 HydrophobicContact CE2-CE 3.64Å; F360-M508 HydrophobicContact CE2-SD 3.54Å; F360-M508 VanDerWaalsContact CE2-SD 3.54Å; F360-M508 HydrophobicContact CG-CE 3.83Å; F360-M508 HydrophobicContact CG-SD 4.25Å; F360-M508 HydrophobicContact CZ-CE 4.13Å; Y422-M508 HydrophobicContact CE2-CE 3.64Å; Y422-M508 WeakPolarHBondContact OH-CE 3.48Å; Y501-M508 VanDerWaalsContact CB-CE 3.41Å; Y501-M508 HydrophobicContact CD1-CE 4.03Å; Y501-M508 HydrophobicContact CD1-CG 3.91Å; Y501-M508 HydrophobicContact CD1-SD 4.49Å; Y501-M508 HydrophobicContact CD2-CE 3.67Å; Y501-M508 HydrophobicContact CE2-CE 4.43Å; Y501-M508 HydrophobicContact CG-CE 3.44Å; Y501-M508 VanDerWaalsContact CG-CE 3.44Å; Y501-M508 HydrophobicContact CG-CG 4.06Å; Y501-M508 HydrophobicContact CG-SD 4.42Å; G502-M508 CarbonylContact O-C 3.39Å; G502-M508 WeakPolarHBondContact O-CA 3.48Å; V503-M508 HydrophobicContact CG2-CE 4.36Å; V503-M508 HydrophobicContact CG2-CG 4.42Å
509	T	93.6	Very high	91	Very high	58 Å²	58	55.2 Å²	55.2	36%	0.356	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.1	-173.6	-60.3	0	0	0	0	110	F484 Y501 G502 I511	F484-T509 HydrophobicContact CE2-CG2 4.36Å; F484-T509 HydrophobicContact CZ-CG2 4.01Å; Y501-T509 CarbonylContact C-O 3.57Å; Y501-T509 WeakPolarHBondContact CA-O 3.44Å; G502-T509 PolarHBondContact N-O 2.82Å; G502-T509 PolarHBondContact O-N 3.38Å; T509-I511 PolarHBondContact O-N 3.07Å
510	L	95.3	Very high	90.4	Very high	83 Å²	83	59.8 Å²	59.8	44%	0.435	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	120.7	174.5	-179.4	70.1	0	0	0	109.9	Y501 K513	Y501-L510 HydrophobicContact CD1-CB 4.05Å; Y501-L510 HydrophobicContact CD1-CD1 4.08Å; Y501-L510 HydrophobicContact CE1-CB 3.84Å; Y501-L510 HydrophobicContact CE1-CD1 3.58Å; Y501-L510 HydrophobicContact CE1-CG 4.31Å; Y501-L510 HydrophobicContact CE2-CD1 4.18Å; L510-K513 HydrophobicContact CD1-CB 4.49Å
511	I	95.7	Very high	90.1	Very high	10 Å²	10	61.9 Å²	61.9	5%	0.051	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-52.5	174.9	-69.5	167.6	0	0	0	109.9	F468 L479 V481 F484 L487 F500 G502 T509	F468-I511 HydrophobicContact CB-CG2 4.43Å; F468-I511 HydrophobicContact CE2-CD1 4.34Å; F468-I511 HydrophobicContact CG-CG2 4.43Å; F468-I511 HydrophobicContact CZ-CD1 4.47Å; L479-I511 HydrophobicContact CD1-CG2 3.74Å; V481-I511 HydrophobicContact CG2-CG1 4.36Å; V481-I511 HydrophobicContact CG2-CG2 4.03Å; F484-I511 HydrophobicContact CD2-CD1 3.78Å; F484-I511 HydrophobicContact CD2-CG1 3.96Å; F484-I511 HydrophobicContact CE2-CD1 4.43Å; F484-I511 HydrophobicContact CE2-CG1 4.13Å; F484-I511 HydrophobicContact CG-CD1 4.44Å; L487-I511 HydrophobicContact CD2-CD1 3.28Å; F500-I511 HydrophobicContact CB-CB 4.3Å; F500-I511 WeakPolarHBondContact O-CB 3.46Å; F500-I511 PolarHBondContact O-N 2.89Å; G502-I511 VanDerWaalsContact N-CD1 3.3Å; T509-I511 PolarHBondContact O-N 3.07Å
512	H	96.1	Very high	90	Very high	43 Å²	43	60.2 Å²	60.2	20%	0.199	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	153.7	-179.2	-166.9	66.8	0	0	0	111.5	I461 L479 S499 F500 F514	I461-H512 HydrophobicContact CG2-CB 4.47Å; L479-H512 HydrophobicContact CD1-CB 3.81Å; L479-H512 HydrophobicContact CD2-CB 4.26Å; L479-H512 WeakPolarHBondContact CD2-ND1 3.31Å; S499-H512 WeakPolarHBondContact CA-O 3.46Å; F500-H512 PolarHBondContact N-O 2.8Å; F500-H512 PolarHBondContact O-N 3.3Å; H512-F514 AromaticContact CD2-CD1 3.98Å; H512-F514 AromaticContact CD2-CD2 3.68Å; H512-F514 AromaticContact CD2-CE1 3.76Å; H512-F514 AromaticContact CD2-CE2 3.46Å; H512-F514 VanDerWaalsContact CD2-CE2 3.46Å; H512-F514 WeakPolarHBondContact CD2-CE2 3.31Å; H512-F514 AromaticContact CD2-CG 3.96Å; H512-F514 AromaticContact CD2-CZ 3.51Å; H512-F514 AromaticContact NE2-CD1 3.67Å; H512-F514 AromaticContact NE2-CE1 3.51Å; H512-F514 AromaticContact NE2-CZ 3.75Å
513	K	96.1	Very high	90	Very high	92 Å²	92	61.7 Å²	61.7	40%	0.4	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.1	174.9	175.9	-175.9	170.4	-160.9	0	109.1	I497 L498 L510 D515	I497-K513 HydrophobicContact CG2-CD 4.16Å; I497-K513 VanDerWaalsContact CG2-CE 3.49Å; I497-K513 HydrophobicContact CG2-CG 4.04Å; L498-K513 CarbonylContact O-C 3.57Å; L498-K513 WeakPolarHBondContact O-CA 3.2Å; L510-K513 HydrophobicContact CD1-CB 4.49Å; K513-D515 IonicContact NZ-OD1 2.9Å
514	F	95.6	Very high	90.2	Very high	20 Å²	20	61.3 Å²	61.3	9%	0.088	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.5	169.3	-64.4	-81.7	0	0	0	110.3	W459 I461 A470 H472 L498 F500 H512 C516	W459-F514 HydrophobicContact CB-CD1 4.48Å; W459-F514 HydrophobicContact CB-CD2 4Å; W459-F514 HydrophobicContact CB-CE2 4.12Å; W459-F514 HydrophobicContact CB-CG 4.16Å; W459-F514 HydrophobicContact CB-CZ 4.41Å; W459-F514 AromaticContact CD1-CD1 3.7Å; W459-F514 AromaticContact CD1-CG 3.81Å; W459-F514 HydrophobicContact CG-CB 4.47Å; W459-F514 HydrophobicContact CG-CD1 4.47Å; W459-F514 HydrophobicContact CG-CG 4.3Å; I461-F514 HydrophobicContact CG2-CE2 4.43Å; A470-F514 HydrophobicContact CB-CE1 4.22Å; A470-F514 HydrophobicContact CB-CZ 3.73Å; H472-F514 HydrophobicContact CB-CE1 4.02Å; L498-F514 HydrophobicContact CB-CB 4.33Å; L498-F514 HydrophobicContact CD2-CD2 4.08Å; L498-F514 HydrophobicContact CG-CD2 4.31Å; L498-F514 PolarHBondContact N-O 3.38Å; L498-F514 VanDerWaalsContact N-O 3.11Å; L498-F514 PolarHBondContact O-N 2.9Å; F500-F514 HydrophobicContact CD2-CD2 4.26Å; F500-F514 HydrophobicContact CD2-CE2 4.12Å; F500-F514 AromaticContact CE2-CD2 3.74Å; F500-F514 HydrophobicContact CE2-CD2 3.74Å; F500-F514 AromaticContact CE2-CE2 3.56Å; F500-F514 HydrophobicContact CE2-CE2 3.56Å; H512-F514 AromaticContact CD2-CD1 3.98Å; H512-F514 AromaticContact CD2-CD2 3.68Å; H512-F514 AromaticContact CD2-CE1 3.76Å; H512-F514 AromaticContact CD2-CE2 3.46Å; H512-F514 VanDerWaalsContact CD2-CE2 3.46Å; H512-F514 WeakPolarHBondContact CD2-CE2 3.31Å; H512-F514 AromaticContact CD2-CG 3.96Å; H512-F514 AromaticContact CD2-CZ 3.51Å; H512-F514 AromaticContact NE2-CD1 3.67Å; H512-F514 AromaticContact NE2-CE1 3.51Å; H512-F514 AromaticContact NE2-CZ 3.75Å; F514-C516 VanDerWaalsContact CB-SG 3.56Å
515	D	93.6	Very high	90.6	Very high	127 Å²	127	56.9 Å²	56.9	68%	0.679	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	108	161.9	-62.3	-55.1	0	0	0	107.6	G496 K513	G496-D515 CarbonylContact O-C 3.54Å; K513-D515 IonicContact NZ-OD1 2.9Å
516	C	88.8	Confident	91.2	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.061	27%	0.274	C	S	.	.			trans	-105.7	138.2	-170.2	-58.4	0	0	0	0	111.3	W459 G496 F514 F518	W459-C516 HydrophobicContact CD2-CB 4.4Å; W459-C516 HydrophobicContact CH2-CB 4.4Å; W459-C516 HydrophobicContact CZ2-CB 3.97Å; G496-C516 CarbonylContact C-O 3.53Å; G496-C516 WeakPolarHBondContact CA-O 3.2Å; G496-C516 PolarHBondContact O-N 2.85Å; F514-C516 VanDerWaalsContact CB-SG 3.56Å; C516-F518 HydrophobicContact CB-CD1 3.91Å; C516-F518 HydrophobicContact CB-CD2 4.05Å; C516-F518 HydrophobicContact CB-CE1 3.47Å; C516-F518 VanDerWaalsContact CB-CE1 3.47Å; C516-F518 HydrophobicContact CB-CE2 3.64Å; C516-F518 HydrophobicContact CB-CG 4.18Å; C516-F518 HydrophobicContact CB-CZ 3.32Å; C516-F518 PolarHBondContact O-N 3.46Å
517	K	84.5	Confident	91.9	Very high	157 Å²	157	46.8 Å²	46.8	68%	0.683	24%	0.243	S	C	*	.			trans	-95.6	75.3	168.7	-65.3	-169.9	178.7	-167.2	0	109.9	E331 S519	E331-K517 IonicContact OE1-NZ 2.86Å; E331-K517 PolarHBondContact OE1-NZ 3.41Å; K517-S519 PolarHBondContact O-N 3.25Å
518	F	82.9	Confident	92.3	Very high	28 Å²	28	44.8 Å²	44.8	12%	0.123	23%	0.226	C	C	.	.			trans	-69.7	118.6	178.4	-56.1	-58.5	0	0	0	111.2	L436 W459 V491 F493 L498 C516 V522	L436-F518 HydrophobicContact CD1-CE1 4.39Å; L436-F518 HydrophobicContact CD1-CZ 4.37Å; W459-F518 HydrophobicContact CE3-CE1 4.11Å; W459-F518 HydrophobicContact CH2-CD1 4.15Å; W459-F518 HydrophobicContact CH2-CE1 4.31Å; W459-F518 AromaticContact CZ3-CD1 3.97Å; W459-F518 HydrophobicContact CZ3-CD1 3.97Å; W459-F518 AromaticContact CZ3-CE1 3.86Å; W459-F518 HydrophobicContact CZ3-CE1 3.86Å; V491-F518 HydrophobicContact CG1-CE2 4.28Å; V491-F518 HydrophobicContact CG1-CZ 4.19Å; F493-F518 HydrophobicContact CD2-CB 3.98Å; F493-F518 HydrophobicContact CD2-CD2 4.03Å; F493-F518 HydrophobicContact CD2-CG 4.02Å; F493-F518 HydrophobicContact CE1-CB 4.12Å; F493-F518 HydrophobicContact CE2-CB 3.43Å; F493-F518 VanDerWaalsContact CE2-CB 3.43Å; F493-F518 HydrophobicContact CE2-CD2 4.35Å; F493-F518 AromaticContact CE2-CG 3.9Å; F493-F518 HydrophobicContact CE2-CG 3.9Å; F493-F518 HydrophobicContact CG-CB 4.5Å; F493-F518 HydrophobicContact CG-CD2 4.29Å; F493-F518 HydrophobicContact CZ-CB 3.47Å; F493-F518 VanDerWaalsContact CZ-CB 3.47Å; F493-F518 HydrophobicContact CZ-CG 4.39Å; L498-F518 HydrophobicContact CB-CZ 4.28Å; C516-F518 HydrophobicContact CB-CD1 3.91Å; C516-F518 HydrophobicContact CB-CD2 4.05Å; C516-F518 HydrophobicContact CB-CE1 3.47Å; C516-F518 VanDerWaalsContact CB-CE1 3.47Å; C516-F518 HydrophobicContact CB-CE2 3.64Å; C516-F518 HydrophobicContact CB-CG 4.18Å; C516-F518 HydrophobicContact CB-CZ 3.32Å; C516-F518 PolarHBondContact O-N 3.46Å; F518-V522 HydrophobicContact CD1-CG1 3.81Å; F518-V522 HydrophobicContact CD1-CG2 4.49Å; F518-V522 HydrophobicContact CE1-CG1 4.17Å; F518-V522 HydrophobicContact CE1-CG2 4.41Å
519	S	75.9	Confident	92.4	Very high	72 Å²	72	44.2 Å²	44.2	50%	0.503	23%	0.226	S	C	.	.			trans	-106.2	-27.8	174.4	51.8	0	0	0	0	112.9	K517	K517-S519 PolarHBondContact O-N 3.25Å
520	E	83.6	Confident	92.3	Very high	99 Å²	99	46.8 Å²	46.8	46%	0.463	23%	0.233	S	C	.	.	S	Bend	trans	-129	164.6	-171.2	-68.6	176.8	-162.1	0	0	111.1	F493 V522	F493-E520 WeakPolarHBondContact CE2-O 3.43Å; E520-V522 PolarHBondContact O-N 3.32Å
521	P	90.3	Very high	92.2	Very high	45 Å²	45	48.4 Å²	48.4	29%	0.292	24%	0.236	S	C	.	.			trans	-54.9	127.5	167.9	-22.8	33.1	0	0	0	111.6	Y417 Y523	Y417-P521 HydrophobicContact CD1-CG 3.92Å; Y417-P521 VanDerWaalsContact CD2-CA 3.49Å; Y417-P521 HydrophobicContact CD2-CB 4.04Å; Y417-P521 HydrophobicContact CD2-CG 3.84Å; Y417-P521 HydrophobicContact CE1-CG 4.19Å; Y417-P521 HydrophobicContact CE2-CG 4.1Å; Y417-P521 HydrophobicContact CG-CB 3.97Å; Y417-P521 HydrophobicContact CG-CG 3.78Å; P521-Y523 HydrophobicContact CB-CE2 4.42Å
522	V	93.7	Very high	92	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	153.2	177.5	-65.9	0	0	0	0	110.8	L416 L436 T437 F493 F518 E520	L416-V522 HydrophobicContact CB-CG2 4.17Å; L416-V522 PolarHBondContact N-O 3.24Å; L416-V522 VanDerWaalsContact O-CG2 3.29Å; L416-V522 WeakPolarHBondContact O-CG2 3.34Å; L416-V522 PolarHBondContact O-N 3.27Å; L436-V522 HydrophobicContact CB-CB 4.36Å; L436-V522 HydrophobicContact CD1-CG2 3.92Å; T437-V522 CarbonylContact O-C 3.45Å; T437-V522 WeakPolarHBondContact O-CA 3.41Å; F493-V522 HydrophobicContact CD2-CG2 4.41Å; F493-V522 HydrophobicContact CE2-CG2 4.47Å; F518-V522 HydrophobicContact CD1-CG1 3.81Å; F518-V522 HydrophobicContact CD1-CG2 4.49Å; F518-V522 HydrophobicContact CE1-CG1 4.17Å; F518-V522 HydrophobicContact CE1-CG2 4.41Å; E520-V522 PolarHBondContact O-N 3.32Å
523	Y	96.6	Very high	91.9	Very high	30 Å²	30	52.7 Å²	52.7	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.6	-178.4	-66.6	-98.2	0	0	0	108.5	S412 Q414 L436 T437 K439 P521 A525	S412-Y523 VanDerWaalsContact O-CD1 3.29Å; S412-Y523 WeakPolarHBondContact O-CD1 3.41Å; Q414-Y523 WeakPolarHBondContact O-CD1 3.33Å; L436-Y523 VanDerWaalsContact CA-O 3.28Å; L436-Y523 WeakPolarHBondContact CA-O 3.44Å; T437-Y523 PolarHBondContact N-O 3.46Å; T437-Y523 PolarHBondContact O-N 3.03Å; K439-Y523 HydrophobicContact CB-CD2 4.09Å; K439-Y523 HydrophobicContact CB-CE2 3.64Å; K439-Y523 HydrophobicContact CD-CE2 4.15Å; K439-Y523 HydrophobicContact CG-CE2 4.11Å; P521-Y523 HydrophobicContact CB-CE2 4.42Å; Y523-A525 PolarHBondContact O-N 2.88Å
524	A	97.1	Very high	91.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	135.1	170.6	0	0	0	0	0	108.6	I367 L411 S412 F423 G435 L436 F526	I367-A524 HydrophobicContact CD1-CB 4.03Å; L411-A524 CarbonylContact C-O 3.56Å; L411-A524 VanDerWaalsContact CA-O 3.24Å; L411-A524 WeakPolarHBondContact CA-O 3.3Å; S412-A524 PolarHBondContact N-O 3.42Å; S412-A524 PolarHBondContact OG-N 3.46Å; F423-A524 HydrophobicContact CE1-CB 4.2Å; F423-A524 HydrophobicContact CE2-CB 4.13Å; F423-A524 HydrophobicContact CZ-CB 3.58Å; G435-A524 WeakPolarHBondContact O-CA 3.35Å; L436-A524 HydrophobicContact CD2-CB 4.3Å; A524-F526 HydrophobicContact CB-CE2 3.62Å; A524-F526 HydrophobicContact CB-CZ 3.73Å
525	A	97.5	Very high	92	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.9	-169.7	0	0	0	0	0	110.3	L411 G435 T437 I452 Y523	L411-A525 HydrophobicContact CD2-CB 3.51Å; G435-A525 PolarHBondContact N-O 3.07Å; G435-A525 PolarHBondContact O-N 3.21Å; T437-A525 HydrophobicContact CG2-CB 3.68Å; I452-A525 HydrophobicContact CD1-CB 4.26Å; I452-A525 HydrophobicContact CG2-CB 3.72Å; Y523-A525 PolarHBondContact O-N 2.88Å
526	F	97.6	Very high	92.2	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.4	-168.8	-54.1	-87.3	0	0	0	109.6	I367 F369 Q409 V410 F423 V425 Y433 V434 A524 I535	I367-F526 HydrophobicContact CD1-CZ 4.45Å; F369-F526 AromaticContact CD1-CD2 3.85Å; F369-F526 HydrophobicContact CD1-CD2 3.85Å; F369-F526 HydrophobicContact CD1-CE2 4.01Å; F369-F526 HydrophobicContact CE1-CB 4.36Å; F369-F526 HydrophobicContact CE1-CD1 4.22Å; F369-F526 AromaticContact CE1-CD2 3.38Å; F369-F526 HydrophobicContact CE1-CD2 3.38Å; F369-F526 HydrophobicContact CE1-CE1 4.35Å; F369-F526 AromaticContact CE1-CE2 3.53Å; F369-F526 HydrophobicContact CE1-CE2 3.53Å; F369-F526 AromaticContact CE1-CG 3.72Å; F369-F526 HydrophobicContact CE1-CG 3.72Å; F369-F526 HydrophobicContact CE1-CZ 4.02Å; Q409-F526 CarbonylContact C-O 3.55Å; Q409-F526 WeakPolarHBondContact CA-O 3.44Å; V410-F526 HydrophobicContact CG1-CB 3.95Å; V410-F526 HydrophobicContact CG1-CD2 4.44Å; V410-F526 PolarHBondContact N-O 3.2Å; V410-F526 PolarHBondContact O-N 3.16Å; F423-F526 HydrophobicContact CE2-CZ 4.24Å; V425-F526 HydrophobicContact CG1-CE1 3.93Å; V425-F526 HydrophobicContact CG1-CZ 4.29Å; Y433-F526 WeakPolarHBondContact O-CA 3.28Å; V434-F526 HydrophobicContact CB-CD1 4.47Å; V434-F526 HydrophobicContact CG1-CD1 4.09Å; V434-F526 HydrophobicContact CG1-CE1 3.76Å; V434-F526 HydrophobicContact CG2-CD1 4.12Å; V434-F526 HydrophobicContact CG2-CE1 4.42Å; A524-F526 HydrophobicContact CB-CE2 3.62Å; A524-F526 HydrophobicContact CB-CZ 3.73Å; F526-I535 HydrophobicContact CB-CD1 4.07Å; F526-I535 HydrophobicContact CD1-CD1 4Å; F526-I535 HydrophobicContact CD1-CG2 3.98Å; F526-I535 HydrophobicContact CE1-CG2 4.21Å
527	W	96.4	Very high	92.5	Very high	26 Å²	26	43.4 Å²	43.4	10%	0.098	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.8	175.9	177.4	17.4	0	0	0	109.9	W407 Q409 T432 Y433 I452	W407-W527 HydrophobicContact CE3-CH2 4.14Å; W407-W527 AromaticContact CE3-CZ2 3.59Å; W407-W527 HydrophobicContact CE3-CZ2 3.59Å; W407-W527 AromaticContact CZ3-CH2 3.94Å; W407-W527 HydrophobicContact CZ3-CH2 3.94Å; W407-W527 AromaticContact CZ3-CZ2 3.61Å; W407-W527 HydrophobicContact CZ3-CZ2 3.61Å; Q409-W527 HydrophobicContact CG-CB 3.82Å; Q409-W527 HydrophobicContact CG-CG 3.95Å; T432-W527 CarbonylContact C-O 3.37Å; T432-W527 WeakPolarHBondContact CA-O 3.42Å; Y433-W527 AromaticContact CD1-CE3 3.74Å; Y433-W527 HydrophobicContact CD1-CE3 3.74Å; Y433-W527 HydrophobicContact CD1-CZ3 4.03Å; Y433-W527 HydrophobicContact CD2-CB 4.15Å; Y433-W527 AromaticContact CD2-CD2 3.7Å; Y433-W527 HydrophobicContact CD2-CD2 3.7Å; Y433-W527 AromaticContact CD2-CE3 3.32Å; Y433-W527 HydrophobicContact CD2-CE3 3.32Å; Y433-W527 HydrophobicContact CD2-CG 4.12Å; Y433-W527 AromaticContact CD2-CZ3 3.88Å; Y433-W527 HydrophobicContact CD2-CZ3 3.88Å; Y433-W527 AromaticContact CE1-CE3 3.84Å; Y433-W527 HydrophobicContact CE1-CE3 3.84Å; Y433-W527 AromaticContact CE1-CZ3 3.62Å; Y433-W527 HydrophobicContact CE1-CZ3 3.62Å; Y433-W527 AromaticContact CE2-CD2 3.95Å; Y433-W527 HydrophobicContact CE2-CD2 3.95Å; Y433-W527 AromaticContact CE2-CE3 3.43Å; Y433-W527 HydrophobicContact CE2-CE3 3.43Å; Y433-W527 VanDerWaalsContact CE2-CE3 3.43Å; Y433-W527 AromaticContact CE2-CH2 4Å; Y433-W527 HydrophobicContact CE2-CH2 4Å; Y433-W527 HydrophobicContact CE2-CZ2 4.46Å; Y433-W527 AromaticContact CE2-CZ3 3.47Å; Y433-W527 HydrophobicContact CE2-CZ3 3.47Å; Y433-W527 VanDerWaalsContact CE2-CZ3 3.47Å; Y433-W527 HydrophobicContact CG-CB 4.26Å; Y433-W527 HydrophobicContact CG-CD2 4.22Å; Y433-W527 AromaticContact CG-CE3 3.54Å; Y433-W527 HydrophobicContact CG-CE3 3.54Å; Y433-W527 HydrophobicContact CG-CZ3 4.19Å; Y433-W527 AromaticContact CZ-CE3 3.72Å; Y433-W527 AromaticContact CZ-CZ3 3.35Å; Y433-W527 PolarHBondContact N-O 3.2Å; Y433-W527 PolarHBondContact O-N 3.4Å; I452-W527 HydrophobicContact CD1-CB 4.23Å
528	L	96.8	Very high	92.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	95.2	178.6	-59.1	93.5	0	0	0	109.3	L378 V387 N389 R408 N533 I535	L378-L528 HydrophobicContact CD1-CD1 4.27Å; L378-L528 HydrophobicContact CD2-CB 4.1Å; L378-L528 HydrophobicContact CD2-CD1 3.98Å; V387-L528 HydrophobicContact CG1-CD1 3.7Å; V387-L528 HydrophobicContact CG1-CD2 4.2Å; V387-L528 HydrophobicContact CG2-CD1 4.04Å; N389-L528 HydrophobicContact CB-CB 3.91Å; N389-L528 PolarHBondContact ND2-O 3.24Å; R408-L528 WeakPolarHBondContact CB-O 3.37Å; R408-L528 PolarHBondContact O-N 3.47Å; R408-L528 VanDerWaalsContact O-N 3.11Å; L528-N533 HydrophobicContact CB-CB 4.41Å; L528-N533 HydrophobicContact CD2-CB 4.27Å; L528-N533 VanDerWaalsContact CD2-O 3.23Å; L528-N533 WeakPolarHBondContact CD2-O 3.28Å; L528-I535 HydrophobicContact CD1-CD1 4.18Å; L528-I535 HydrophobicContact CD2-CD1 4.31Å; L528-I535 HydrophobicContact CD2-CG1 4Å; L528-I535 HydrophobicContact CG-CD1 4.02Å; L528-I535 HydrophobicContact CG-CG1 4.27Å
529	S	92.7	Very high	93.1	Very high	28 Å²	28	39.1 Å²	39.1	20%	0.196	20%	0.195	C	C	.	.			trans	-73.1	-34.6	-171.1	65	0	0	0	0	113.7	R408 G431	R408-S529 PolarHBondContact NH1-O 3.41Å; G431-S529 WeakPolarHBondContact CA-OG 3.31Å; G431-S529 PolarHBondContact O-N 2.9Å; G431-S529 PolarHBondContact O-OG 3.35Å
530	K	92.2	Very high	93.5	Very high	113 Å²	113	37.2 Å²	37.2	49%	0.491	18%	0.179	S	C	.	.	S	Bend	trans	-108.7	152.7	-175.4	-51.8	-170.6	-165.3	156.9	0	112.5	N389 G430 N533	N389-K530 VanDerWaalsContact CB-O 3.31Å; N389-K530 WeakPolarHBondContact CB-O 3.06Å; N389-K530 PolarHBondContact ND2-O 3.21Å; N389-K530 VanDerWaalsContact ND2-O 3.09Å; G430-K530 WeakPolarHBondContact O-CD 3.17Å; G430-K530 WeakPolarHBondContact O-CE 3.26Å; G430-K530 PolarHBondContact O-NZ 3.44Å; K530-N533 WeakPolarHBondContact O-CB 3.18Å; K530-N533 PolarHBondContact O-N 2.96Å
531	K	92.2	Very high	93	Very high	116 Å²	116	35.9 Å²	35.9	50%	0.504	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	144.1	174.1	-174.2	-174	179.6	-126.4	0	110.3	T391 N533	T391-K531 WeakPolarHBondContact O-CD 3.4Å; T391-K531 WeakPolarHBondContact O-CG 3.44Å; K531-N533 PolarHBondContact O-N 3.43Å; K531-N533 VanDerWaalsContact O-N 3.08Å
532	E	91.4	Very high	92.2	Very high	134 Å²	134	37.6 Å²	37.6	63%	0.626	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	-2.5	178.5	-70.8	156.3	-145.5	0	0	115.5	N389	N389-E532 PolarHBondContact O-N 3.48Å
533	N	95	Very high	91.2	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.048	23%	0.225	C	C	.	.			trans	-63.8	141.1	166.9	-69.8	-0.8	0	0	0	109.6	T388 N389 S428 G429 G430 G431 T432 L528 K530 K531	T388-N533 WeakPolarHBondContact CA-O 3.41Å; N389-N533 PolarHBondContact N-O 3.48Å; S428-N533 CarbonylContact O-C 3.51Å; S428-N533 VanDerWaalsContact O-CA 3.26Å; S428-N533 WeakPolarHBondContact O-CA 3.45Å; G429-N533 WeakPolarHBondContact CA-OD1 3.32Å; G430-N533 PolarHBondContact O-ND2 2.82Å; G431-N533 PolarHBondContact O-ND2 3.46Å; T432-N533 HydrophobicContact CG2-CB 3.9Å; L528-N533 HydrophobicContact CB-CB 4.41Å; L528-N533 HydrophobicContact CD2-CB 4.27Å; L528-N533 VanDerWaalsContact CD2-O 3.23Å; L528-N533 WeakPolarHBondContact CD2-O 3.28Å; K530-N533 WeakPolarHBondContact O-CB 3.18Å; K530-N533 PolarHBondContact O-N 2.96Å; K531-N533 PolarHBondContact O-N 3.43Å; K531-N533 VanDerWaalsContact O-N 3.08Å
534	A	96.5	Very high	89.9	Confident	9 Å²	9	42.9 Å²	42.9	7%	0.074	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.6	176.5	0	0	0	0	0	111.8	V387 T388 S428	V387-A534 CarbonylContact O-C 3.52Å; V387-A534 WeakPolarHBondContact O-CA 3.37Å; V387-A534 WeakPolarHBondContact O-CB 3.32Å; T388-A534 HydrophobicContact CG2-CB 4.29Å; S428-A534 PolarHBondContact N-O 2.91Å; S428-A534 PolarHBondContact O-N 3.14Å
535	I	97.3	Very high	88.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129	171.6	-59.6	173.9	0	0	0	107.1	F369 K386 V387 V425 E426 L427 T432 V434 F526 L528	F369-I535 HydrophobicContact CZ-CG2 4.24Å; K386-I535 WeakPolarHBondContact CA-O 3.12Å; V387-I535 HydrophobicContact CG1-CB 3.92Å; V387-I535 PolarHBondContact N-O 2.88Å; V387-I535 PolarHBondContact O-N 3.38Å; V425-I535 HydrophobicContact CB-CG2 4.04Å; V425-I535 HydrophobicContact CG1-CG2 4.48Å; V425-I535 HydrophobicContact CG2-CG2 4.42Å; E426-I535 WeakPolarHBondContact O-CA 3.32Å; L427-I535 HydrophobicContact CD2-CD1 4.2Å; L427-I535 HydrophobicContact CD2-CG1 3.83Å; L427-I535 HydrophobicContact CD2-CG2 4.3Å; T432-I535 HydrophobicContact CG2-CD1 4.2Å; T432-I535 HydrophobicContact CG2-CG1 4.07Å; V434-I535 HydrophobicContact CG2-CD1 4.16Å; F526-I535 HydrophobicContact CB-CD1 4.07Å; F526-I535 HydrophobicContact CD1-CD1 4Å; F526-I535 HydrophobicContact CD1-CG2 3.98Å; F526-I535 HydrophobicContact CE1-CG2 4.21Å; L528-I535 HydrophobicContact CD1-CD1 4.18Å; L528-I535 HydrophobicContact CD2-CD1 4.31Å; L528-I535 HydrophobicContact CD2-CG1 4Å; L528-I535 HydrophobicContact CG-CD1 4.02Å; L528-I535 HydrophobicContact CG-CG1 4.27Å
536	R	96.7	Very high	86.3	Confident	41 Å²	41	57.4 Å²	57.4	16%	0.155	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.1	175.4	-172.4	-176.4	71.1	98	-4.1	109.6	E382 R385 K386 V425 E426 E542	E382-R536 WeakPolarHBondContact OE2-CD 3.48Å; R385-R536 CarbonylContact O-C 3.59Å; R385-R536 WeakPolarHBondContact O-CA 3.34Å; K386-R536 HydrophobicContact CB-CB 4.49Å; K386-R536 HydrophobicContact CB-CG 4.29Å; K386-R536 HydrophobicContact CG-CB 4.36Å; V425-R536 CarbonylContact C-O 3.49Å; V425-R536 WeakPolarHBondContact CA-O 3.45Å; E426-R536 HydrophobicContact CB-CB 4.48Å; E426-R536 PolarHBondContact N-O 3.17Å; E426-R536 PolarHBondContact O-N 3.09Å; E426-R536 IonicContact OE2-CZ 2.86Å; E426-R536 IonicContact OE2-NE 3.94Å; E426-R536 PolarHBondContact OE2-NE 3.29Å; E426-R536 IonicContact OE2-NH2 2.82Å; E426-R536 PolarHBondContact OE2-NH2 3.3Å; R536-E542 IonicContact CZ-OE2 3.75Å; R536-E542 VanDerWaalsContact CZ-OE2 3.29Å; R536-E542 IonicContact NH1-OE1 3.02Å; R536-E542 PolarHBondContact NH1-OE1 2.9Å; R536-E542 IonicContact NH1-OE2 2.64Å; R536-E542 PolarHBondContact NH1-OE2 2.85Å; R536-E542 IonicContact NH2-OE2 3.07Å; R536-E542 PolarHBondContact NH2-OE2 3.38Å
537	I	96.2	Very high	84.2	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.1	168.9	-60.5	166.2	0	0	0	106.8	I367 F369 R385 V425	I367-I537 HydrophobicContact CD1-CD1 4.13Å; I367-I537 HydrophobicContact CD1-CG1 4.43Å; I367-I537 HydrophobicContact CD1-CG2 4.44Å; I367-I537 HydrophobicContact CG1-CD1 4.09Å; I367-I537 HydrophobicContact CG1-CG2 3.84Å; F369-I537 HydrophobicContact CD1-CD1 4.14Å; F369-I537 HydrophobicContact CD2-CD1 4.05Å; F369-I537 HydrophobicContact CE1-CD1 3.92Å; F369-I537 HydrophobicContact CE1-CG1 4.26Å; F369-I537 HydrophobicContact CE2-CD1 3.82Å; F369-I537 HydrophobicContact CE2-CG1 3.98Å; F369-I537 HydrophobicContact CG-CD1 4.19Å; F369-I537 HydrophobicContact CZ-CD1 3.75Å; F369-I537 HydrophobicContact CZ-CG1 3.73Å; R385-I537 HydrophobicContact CB-CB 4.42Å; R385-I537 PolarHBondContact O-N 2.97Å; V425-I537 HydrophobicContact CG1-CG1 4.26Å
538	V	92.8	Very high	81.9	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.024	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-82.1	135.6	-173.1	179	0	0	0	0	109.3	E424 E426 R486 L540 E542	E424-V538 HydrophobicContact CB-CB 4.03Å; E424-V538 HydrophobicContact CB-CG2 4.42Å; E424-V538 PolarHBondContact O-N 3.08Å; E426-V538 HydrophobicContact CB-CG2 3.95Å; R486-V538 HydrophobicContact CG-CG2 4.45Å; V538-L540 PolarHBondContact O-N 3.44Å; V538-E542 HydrophobicContact CG1-CB 4.2Å
539	D	87.6	Confident	79.1	Confident	91 Å²	91	68.8 Å²	68.8	49%	0.487	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-68.9	122.5	164.7	-173.5	-21.1	0	0	0	107.8	G541 E542	D539-G541 PolarHBondContact O-N 2.89Å; D539-G541 PolarHBondContact OD1-N 3.49Å; D539-G541 VanDerWaalsContact OD1-N 3.14Å; D539-E542 HydrophobicContact CB-CG 4.24Å; D539-E542 VanDerWaalsContact O-CB 3.32Å; D539-E542 WeakPolarHBondContact O-CB 3.48Å; D539-E542 PolarHBondContact O-N 3.15Å
540	L	82.7	Confident	76.3	Confident	32 Å²	32	72.8 Å²	72.8	17%	0.168	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.1	-172	-65.8	172.1	0	0	0	113.3	L361 A364 Y422 E424 V538 E542	L361-L540 HydrophobicContact CD2-CB 3.91Å; L361-L540 HydrophobicContact CD2-CD1 4.21Å; L361-L540 HydrophobicContact CD2-CD2 3.93Å; L361-L540 HydrophobicContact CD2-CG 4.24Å; A364-L540 HydrophobicContact CB-CD1 3.29Å; Y422-L540 HydrophobicContact CD1-CD2 4.49Å; Y422-L540 HydrophobicContact CE1-CD2 4.25Å; E424-L540 HydrophobicContact CB-CD2 3.91Å; E424-L540 HydrophobicContact CG-CD2 3.77Å; V538-L540 PolarHBondContact O-N 3.44Å; L540-E542 VanDerWaalsContact C-N 3.33Å
541	G	73.2	Confident	73.6	Confident	71 Å²	71	72.6 Å²	72.6	73%	0.732	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.1	166.9	0	0	0	0	0	115	D539	D539-G541 PolarHBondContact O-N 2.89Å; D539-G541 PolarHBondContact OD1-N 3.49Å; D539-G541 VanDerWaalsContact OD1-N 3.14Å
542	E	74.4	Confident	71.1	Confident	80 Å²	80	73.2 Å²	73.2	37%	0.374	44%	0.44	S	S	.	.	S	Bend	trans	-79.9	116.9	178.2	-66.1	176.6	-176.7	0	0	111.3	R486 R536 V538 D539 L540	R486-E542 PolarHBondContact NH1-O 2.77Å; R536-E542 IonicContact CZ-OE2 3.75Å; R536-E542 VanDerWaalsContact CZ-OE2 3.29Å; R536-E542 IonicContact NH1-OE1 3.02Å; R536-E542 PolarHBondContact NH1-OE1 2.9Å; R536-E542 IonicContact NH1-OE2 2.64Å; R536-E542 PolarHBondContact NH1-OE2 2.85Å; R536-E542 IonicContact NH2-OE2 3.07Å; R536-E542 PolarHBondContact NH2-OE2 3.38Å; V538-E542 HydrophobicContact CG1-CB 4.2Å; D539-E542 HydrophobicContact CB-CG 4.24Å; D539-E542 VanDerWaalsContact O-CB 3.32Å; D539-E542 WeakPolarHBondContact O-CB 3.48Å; D539-E542 PolarHBondContact O-N 3.15Å; L540-E542 VanDerWaalsContact C-N 3.33Å
543	E	72.6	Confident	68.7	Low	130 Å²	130	75.5 Å²	75.5	61%	0.607	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-63.3	148.2	171.2	-69.9	-166.1	166.1	0	0	111.4	R486 Y505	R486-E543 PolarHBondContact NH2-O 3.33Å; Y505-E543 HydrophobicContact CE2-CB 4.46Å; Y505-E543 VanDerWaalsContact CE2-OE2 3.27Å; Y505-E543 WeakPolarHBondContact CE2-OE2 3.42Å; Y505-E543 PolarHBondContact OH-OE2 3.4Å
544	P	69.8	Low	66	Low	11 Å²	11	79.2 Å²	79.2	7%	0.071	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-60.3	150.1	171.8	-15.1	28.2	0	0	0	110.4	V503 Y505 K546	V503-P544 HydrophobicContact CG1-CG 3.95Å; Y505-P544 WeakPolarHBondContact CD2-O 3.38Å; P544-K546 PolarHBondContact O-N 3.17Å
545	E	66.8	Low	63.5	Low	155 Å²	155	82.9 Å²	82.9	72%	0.724	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-59.6	127	175.2	-71.2	-172.4	159.8	0	0	110.3
546	K	51.4	Low	61.6	Low	151 Å²	151	92.7 Å²	92.7	66%	0.657	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-65.3	131.8	171.6	-167.7	173.4	-174.4	171.6	0	108.2	Y505 P544 A548	Y505-K546 HydrophobicContact CD1-CG 4.39Å; Y505-K546 HydrophobicContact CD2-CB 4.25Å; Y505-K546 HydrophobicContact CG-CB 4.39Å; Y505-K546 HydrophobicContact CG-CG 4.4Å; P544-K546 PolarHBondContact O-N 3.17Å; K546-A548 PolarHBondContact O-N 3.48Å; K546-A548 VanDerWaalsContact O-N 3.14Å
547	P	53.6	Low	59.9	Low	100 Å²	100	95.3 Å²	95.3	65%	0.649	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-54.5	126.7	177.2	19.5	-30.1	0	0	0	109.4	G549	P547-G549 PolarHBondContact O-N 3.28Å
548	A	47.4	Very low	58	Low	101 Å²	101	100.1 Å²	100.1	84%	0.835	63%	0.629	S	S	*	*			trans	-58.2	108.8	174.6	0	0	0	0	0	107.8	K546 S550	K546-A548 PolarHBondContact O-N 3.48Å; K546-A548 VanDerWaalsContact O-N 3.14Å; A548-S550 PolarHBondContact O-N 2.7Å; A548-S550 VanDerWaalsContact O-N 3.11Å
549	G	39.5	Very low	56.1	Low	65 Å²	65	105.4 Å²	105.4	67%	0.67	66%	0.662	S	S	*	*			trans	-55	121.1	175.8	0	0	0	0	0	108.4	P547 S551	P547-G549 PolarHBondContact O-N 3.28Å; G549-S551 PolarHBondContact O-N 3.37Å
550	S	33.1	Very low	54.2	Low	112 Å²	112	106.3 Å²	106.3	78%	0.783	67%	0.673	S	S	*	*			trans	-60.8	89.5	174.6	57.2	0	0	0	0	109	A548 V552	A548-S550 PolarHBondContact O-N 2.7Å; A548-S550 VanDerWaalsContact O-N 3.11Å; S550-V552 PolarHBondContact O-N 2.8Å
551	S	36	Very low	52.4	Low	108 Å²	108	110.9 Å²	110.9	76%	0.755	70%	0.704	S	S	*	*			trans	-77.3	74.6	159.8	41.3	0	0	0	0	107	G549 E553	G549-S551 PolarHBondContact O-N 3.37Å; S551-E553 PolarHBondContact O-N 3Å; S551-E553 VanDerWaalsContact O-N 3.14Å
552	V	39.9	Very low	51	Low	130 Å²	130	113.6 Å²	113.6	79%	0.788	70%	0.702	S	S	*	*			trans	-79.4	76.1	151.5	-175.7	0	0	0	0	104.9	S550 A554	S550-V552 PolarHBondContact O-N 2.8Å; V552-A554 PolarHBondContact O-N 3.03Å
553	E	39.5	Very low	49.4	Very low	181 Å²	181	116 Å²	116	85%	0.846	73%	0.726	S	S	*	*			trans	-79.6	101.1	164.1	-156.7	167.8	-163.1	0	0	105.6	S551 A555	S551-E553 PolarHBondContact O-N 3Å; S551-E553 VanDerWaalsContact O-N 3.14Å; E553-A555 PolarHBondContact O-N 3Å; E553-A555 VanDerWaalsContact O-N 3.1Å
554	A	39.8	Very low	47.6	Very low	87 Å²	87	114.9 Å²	114.9	72%	0.719	74%	0.735	S	S	*	*			trans	-59.6	111	168.8	0	0	0	0	0	107.7	V552	V552-A554 PolarHBondContact O-N 3.03Å
555	A	42.7	Very low	45.7	Very low	86 Å²	86	123.6 Å²	123.6	71%	0.711	79%	0.79	S	S	*	*			trans	-62	146.2	159.8	0	0	0	0	0	108.5	E553	E553-A555 PolarHBondContact O-N 3Å; E553-A555 VanDerWaalsContact O-N 3.1Å
556	P	59.1	Low	43.8	Very low	207 Å²	207	120.7 Å²	120.7	100%	1.344	80%	0.796	S	S	*	*			trans	-58	0	-172	24.4	-34.9	0	0	0	114.5

Retrieved 556 of 556 residues in 1045 ms (Link to these results)

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