A0A087YSM5_POEFO Loading...

Sulfotransferase

Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the transfer of sulfate to position 6 of non-reducing N-acetylglucosamine (GlcNAc) residues within keratan-like structures on N-linked glycans and within mucin-associated glycans that can ultimately serve as SELL ligands. SELL ligands are present in high endothelial cells (HEVs) and play a central role in lymphocyte homing at sites of inflammation. Participates in biosynthesis of the SELL ligand sialyl 6-sulfo Lewis X and in lymphocyte homing to Peyer patches. Has no activity toward O-linked sugars. Its substrate specificity may be influenced by its subcellular location. Sulfates GlcNAc residues at terminal, non-reducing ends of oligosaccharide chains.

AlphaFold DB , UniProt , Accession A0A087YSM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 465 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	30.5	Very low	248 Å²	248	186.5 Å²	186.5	100%	1.222	90%	0.896	S	S	*	*				0	146.3	0	-74.5	179	178	0	0	108.9
2	R	31	Very low	30.3	Very low	256 Å²	256	185.1 Å²	185.1	97%	0.966	90%	0.896	S	S	*	*			trans	-25	146.5	179.2	-57.8	167.6	-171.4	176.6	1.5	115.3
3	G	30.1	Very low	30.3	Very low	77 Å²	77	181.6 Å²	181.6	79%	0.794	89%	0.893	S	S	*	*			cis	-179.4	165.1	10.9	0	0	0	0	0	110.4
4	K	32.1	Very low	30.1	Very low	211 Å²	211	174.7 Å²	174.7	92%	0.917	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-56.7	152.3	-157.7	-73.8	164.9	175.8	-179.9	0	119.8
5	Q	30.4	Very low	30.2	Very low	193 Å²	193	172.1 Å²	172.1	90%	0.902	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-69.4	152.4	177.8	-79.3	163.8	-45.8	0	0	115.6
6	Y	29.6	Very low	30.1	Very low	214 Å²	214	174.3 Å²	174.3	84%	0.839	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-78.8	140.2	168.4	-85.6	-103.1	0	0	0	112.4
7	H	30.7	Very low	29.9	Very low	192 Å²	192	173.6 Å²	173.6	89%	0.889	87%	0.867	S	S	*	*			trans	-155.6	122.5	142.7	-89.6	-60.2	0	0	0	109.7
8	Q	31.5	Very low	29.9	Very low	176 Å²	176	174.6 Å²	174.6	82%	0.822	87%	0.865	S	S	*	*			trans	-98.5	149	165.6	-92.1	-178.7	-20.6	0	0	109.4
9	P	29.5	Very low	30	Very low	127 Å²	127	173.1 Å²	173.1	83%	0.825	86%	0.86	S	S	*	*				-140.6	158.5	113.9	31.7	-15.2	0	0	0	115.4
10	L	29.8	Very low	30.1	Very low	150 Å²	150	169.5 Å²	169.5	79%	0.785	86%	0.86	S	S	*	*			trans	-48.3	143.4	177.9	-91.5	75.7	0	0	0	115.8
11	K	26.9	Very low	30	Very low	207 Å²	207	164.6 Å²	164.6	90%	0.9	85%	0.851	S	S	*	*			trans	-142.5	125	139.3	-92	-176.9	-179.7	176.4	0	110.1
12	L	28.1	Very low	29.8	Very low	170 Å²	170	163.6 Å²	163.6	89%	0.89	84%	0.841	S	S	*	*			trans	-100	124.1	174.2	-133.6	92.8	0	0	0	108.4
13	T	30.7	Very low	29.6	Very low	140 Å²	140	154.6 Å²	154.6	86%	0.859	83%	0.828	S	S	*	*			trans	-132.6	145.4	169.4	30.4	0	0	0	0	110.6
14	A	28	Very low	29.7	Very low	85 Å²	85	162.9 Å²	162.9	70%	0.702	84%	0.835	S	S	*	*			trans	-73.5	157.1	-167.9	0	0	0	0	0	114.6
15	P	30.4	Very low	29.5	Very low	136 Å²	136	162.8 Å²	162.8	88%	0.883	84%	0.835	S	S	*	*			trans	-105	103	173.1	31	-17	0	0	0	112
16	W	29	Very low	29.6	Very low	207 Å²	207	161.7 Å²	161.7	78%	0.784	83%	0.834	S	S	*	*			trans	-124.8	147.8	144.6	54.9	-76.3	0	0	0	107.2
17	E	27.3	Very low	29.5	Very low	163 Å²	163	161 Å²	161	76%	0.762	84%	0.835	S	S	*	*			trans	84	106.2	-173.4	-68	177.1	167.6	0	0	117.6
18	K	30.5	Very low	29.5	Very low	191 Å²	191	158.1 Å²	158.1	83%	0.83	83%	0.832	S	S	*	*				-135.9	112.4	127.4	-80.9	-158	176	-173.3	0	110.8
19	D	31.4	Very low	29.3	Very low	145 Å²	145	159.6 Å²	159.6	78%	0.775	83%	0.831	S	S	*	*			trans	82	119.4	130.4	-54.4	-28.7	0	0	0	121.2
20	A	30.7	Very low	29.4	Very low	102 Å²	102	164.3 Å²	164.3	84%	0.843	83%	0.832	S	S	*	*			trans	-79.2	145.7	176.7	0	0	0	0	0	113.1
21	G	28.5	Very low	29.4	Very low	67 Å²	67	163.5 Å²	163.5	69%	0.691	83%	0.829	S	S	*	*			trans	83	116.6	132	0	0	0	0	0	119
22	F	29	Very low	29.7	Very low	226 Å²	226	161.8 Å²	161.8	99%	0.991	82%	0.824	S	S	*	*				-166.1	139.4	118.9	-111.8	-82.4	0	0	0	109.9
23	G	28.1	Very low	30	Very low	68 Å²	68	159.6 Å²	159.6	70%	0.701	82%	0.818	S	S	*	*			trans	-92.1	162.1	-164.7	0	0	0	0	0	117.7
24	R	31.9	Very low	30.4	Very low	250 Å²	250	162.4 Å²	162.4	94%	0.943	82%	0.818	S	S	*	*			trans	62.5	113.5	152.7	-68.7	-176.5	-179.8	177.1	1.1	119.8
25	K	28.4	Very low	31	Very low	210 Å²	210	165.4 Å²	165.4	91%	0.913	82%	0.821	S	S	*	*				-155.6	122.5	122.7	-103.2	174.5	-169.7	-179.1	0	110.2
26	L	30.9	Very low	31.7	Very low	170 Å²	170	166.2 Å²	166.2	89%	0.89	82%	0.816	S	S	*	*			trans	-76.6	123.5	174.8	-141.6	89.6	0	0	0	108.6
27	K	29	Very low	32.6	Very low	198 Å²	198	159.5 Å²	159.5	86%	0.861	81%	0.805	S	S	*	*			trans	-122.7	111.1	164.2	-96.7	-174.8	176.7	-179.8	0	108.8
28	T	29.3	Very low	33.8	Very low	133 Å²	133	157.6 Å²	157.6	82%	0.816	80%	0.796	S	S	*	*			trans	-68.9	118.4	169.2	25.4	0	0	0	0	109.6
29	Y	27.4	Very low	35	Very low	207 Å²	207	153.3 Å²	153.3	81%	0.812	79%	0.787	S	S	*	*			trans	-107.1	108.8	169.7	-134	-92.8	0	0	0	108.9
30	R	31.7	Very low	36.1	Very low	225 Å²	225	148.7 Å²	148.7	85%	0.849	77%	0.774	S	S	*	*			trans	-93	100.4	178.5	-157.1	-178.4	-166.2	-177.9	3.6	107.2
31	N	29.5	Very low	37.4	Very low	134 Å²	134	148.6 Å²	148.6	72%	0.717	76%	0.758	S	S	*	*			trans	-90.7	115	174.2	-98.2	-5.9	0	0	0	110.4	T33	N31-T33 PolarHBondContact O-N 3.29Å
32	H	33.5	Very low	38.8	Very low	171 Å²	171	149.2 Å²	149.2	79%	0.792	75%	0.748	S	S	*	*			trans	-78.3	105.3	165.2	-88.5	-75	0	0	0	109.7
33	T	34.7	Very low	40.1	Very low	123 Å²	123	145 Å²	145	76%	0.755	73%	0.734	S	S	*	*			trans	-94.7	106.3	161.9	25.6	0	0	0	0	109.8	N31 I35	N31-T33 PolarHBondContact O-N 3.29Å; T33-I35 PolarHBondContact O-N 2.76Å
34	K	38.5	Very low	41.5	Very low	199 Å²	199	149.3 Å²	149.3	87%	0.865	73%	0.733	S	S	*	*			trans	-66.9	109.9	162.2	-83.3	179.6	174.5	177.4	0	108.4	I36	K34-I36 PolarHBondContact O-N 2.78Å
35	I	41.7	Very low	43	Very low	148 Å²	148	140.7 Å²	140.7	76%	0.759	71%	0.708	S	S	*	*			trans	-89	100.6	167	-61.3	174.5	0	0	0	107	T33 A37	T33-I35 PolarHBondContact O-N 2.76Å; I35-A37 HydrophobicContact CG2-CB 4.13Å; I35-A37 PolarHBondContact O-N 3.09Å
36	I	45.1	Very low	44.4	Very low	153 Å²	153	135.6 Å²	135.6	79%	0.785	69%	0.69	S	S	*	*			trans	-81.8	92.5	159.7	-60.4	174.6	0	0	0	105.7	K34 Q38	K34-I36 PolarHBondContact O-N 2.78Å; I36-Q38 PolarHBondContact O-N 2.72Å
37	A	48.3	Very low	46	Very low	66 Å²	66	136.8 Å²	136.8	55%	0.545	68%	0.683	S	S	.	*			trans	-76	104.7	172.5	0	0	0	0	0	108.5	I35 P39	I35-A37 HydrophobicContact CG2-CB 4.13Å; I35-A37 PolarHBondContact O-N 3.09Å; A37-P39 WeakPolarHBondContact O-CD 3.42Å
38	Q	52.6	Low	47.9	Very low	123 Å²	123	136.5 Å²	136.5	58%	0.575	68%	0.676	S	S	*	*			trans	-70.2	110.7	165.5	-73.3	-168.2	-3.8	0	0	108.9	I36 G40 I41	I36-Q38 PolarHBondContact O-N 2.72Å; Q38-G40 PolarHBondContact O-N 3.21Å; Q38-G40 VanDerWaalsContact O-N 3.16Å; Q38-I41 HydrophobicContact CB-CD1 4.42Å; Q38-I41 PolarHBondContact O-N 3.14Å; Q38-I41 VanDerWaalsContact OE1-CD1 3.3Å
39	P	54.4	Low	49.9	Very low	101 Å²	101	136.6 Å²	136.6	66%	0.656	67%	0.666	S	S	*	*	H	α-helix	trans	-63.7	-27.7	-170.9	-20.3	32.9	0	0	0	113.2	A37 I41 M43	A37-P39 WeakPolarHBondContact O-CD 3.42Å; P39-I41 PolarHBondContact O-N 3.4Å; P39-M43 WeakPolarHBondContact O-CG 3.38Å; P39-M43 PolarHBondContact O-N 3.49Å
40	G	55.9	Low	52.1	Low	48 Å²	48	136.2 Å²	136.2	50%	0.495	66%	0.663	S	S	.	*	H	α-helix	trans	-70	-28.8	-176.8	0	0	0	0	0	115.2	Q38 K44	Q38-G40 PolarHBondContact O-N 3.21Å; Q38-G40 VanDerWaalsContact O-N 3.16Å; G40-K44 PolarHBondContact O-N 2.88Å
41	I	57.9	Low	54.4	Low	100 Å²	100	130.3 Å²	130.3	51%	0.513	65%	0.647	S	S	.	*	H	α-helix	trans	-82.5	-40.9	-178.8	-62.7	176.4	0	0	0	110.5	Q38 P39 M43 K44 V45	Q38-I41 HydrophobicContact CB-CD1 4.42Å; Q38-I41 PolarHBondContact O-N 3.14Å; Q38-I41 VanDerWaalsContact OE1-CD1 3.3Å; P39-I41 PolarHBondContact O-N 3.4Å; I41-M43 VanDerWaalsContact C-N 3.35Å; I41-M43 PolarHBondContact O-N 2.8Å; I41-K44 PolarHBondContact O-N 3.18Å; I41-V45 WeakPolarHBondContact O-CG2 3.37Å; I41-V45 PolarHBondContact O-N 2.87Å
42	V	57	Low	57	Low	80 Å²	80	128.7 Å²	128.7	49%	0.485	64%	0.642	S	S	.	*	H	α-helix	trans	-63	-42.2	178	-179.9	0	0	0	0	110.9	K44 V45 L46	V42-K44 PolarHBondContact O-N 3.28Å; V42-V45 PolarHBondContact O-N 3.21Å; V42-L46 HydrophobicContact CG1-CD1 3.96Å; V42-L46 HydrophobicContact CG1-CG 4.46Å; V42-L46 WeakPolarHBondContact O-CB 3.47Å; V42-L46 WeakPolarHBondContact O-CG 3.4Å; V42-L46 PolarHBondContact O-N 3.47Å
43	M	55.9	Low	59.4	Low	138 Å²	138	126.5 Å²	126.5	68%	0.68	64%	0.635	S	S	*	*	H	α-helix	trans	-62.3	-40.1	175	-77.7	-85.7	-84.1	0	0	112.8	P39 I41 R47	P39-M43 WeakPolarHBondContact O-CG 3.38Å; P39-M43 PolarHBondContact O-N 3.49Å; I41-M43 VanDerWaalsContact C-N 3.35Å; I41-M43 PolarHBondContact O-N 2.8Å; M43-R47 WeakPolarHBondContact O-CB 3.29Å; M43-R47 PolarHBondContact O-N 3.37Å
44	K	57.9	Low	61.9	Low	158 Å²	158	128 Å²	128	69%	0.687	63%	0.631	S	S	*	*	H	α-helix	trans	-66.6	-39.2	176.4	-80.7	-180	179.6	176.7	0	112.6	G40 I41 V42 R47 R48	G40-K44 PolarHBondContact O-N 2.88Å; I41-K44 PolarHBondContact O-N 3.18Å; V42-K44 PolarHBondContact O-N 3.28Å; K44-R47 PolarHBondContact O-N 3.13Å; K44-R48 PolarHBondContact O-N 2.85Å
45	V	62.5	Low	64.3	Low	70 Å²	70	124.4 Å²	124.4	42%	0.424	62%	0.619	S	S	.	*	H	α-helix	trans	-69.7	-41.3	177.8	174.3	0	0	0	0	111.4	I41 V42 R48 K49	I41-V45 WeakPolarHBondContact O-CG2 3.37Å; I41-V45 PolarHBondContact O-N 2.87Å; V42-V45 PolarHBondContact O-N 3.21Å; V45-R48 PolarHBondContact O-N 3.11Å; V45-K49 HydrophobicContact CG1-CD 4.42Å; V45-K49 WeakPolarHBondContact O-CG 3.36Å; V45-K49 PolarHBondContact O-N 3.22Å
46	L	58.2	Low	66.6	Low	103 Å²	103	120 Å²	120	54%	0.539	61%	0.605	S	S	.	*	H	α-helix	trans	-64.3	-39.7	175.1	-71.9	171.3	0	0	0	111.7	V42 K49 R50	V42-L46 HydrophobicContact CG1-CD1 3.96Å; V42-L46 HydrophobicContact CG1-CG 4.46Å; V42-L46 WeakPolarHBondContact O-CB 3.47Å; V42-L46 WeakPolarHBondContact O-CG 3.4Å; V42-L46 PolarHBondContact O-N 3.47Å; L46-K49 PolarHBondContact O-N 3.12Å; L46-R50 WeakPolarHBondContact O-CB 3.3Å; L46-R50 PolarHBondContact O-N 3.33Å
47	R	65	Low	68.8	Low	195 Å²	195	119.5 Å²	119.5	74%	0.736	59%	0.594	S	S	*	*	H	α-helix	trans	-64.5	-42.1	176.3	-146.9	173	-172	-176.6	1.7	111.9	M43 K44 R50 I51	M43-R47 WeakPolarHBondContact O-CB 3.29Å; M43-R47 PolarHBondContact O-N 3.37Å; K44-R47 PolarHBondContact O-N 3.13Å; R47-R50 PolarHBondContact O-N 2.99Å; R47-I51 WeakPolarHBondContact O-CD1 3.43Å; R47-I51 VanDerWaalsContact O-CG1 3.26Å; R47-I51 WeakPolarHBondContact O-CG1 3.29Å; R47-I51 PolarHBondContact O-N 2.83Å
48	R	68.1	Low	71	Confident	191 Å²	191	122.2 Å²	122.2	72%	0.721	59%	0.594	S	S	*	*	H	α-helix	trans	-63.7	-43.4	173.9	-77.3	-177.9	178	-177.5	-0.7	112.5	K44 V45 R50 I51 V52	K44-R48 PolarHBondContact O-N 2.85Å; V45-R48 PolarHBondContact O-N 3.11Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 3.46Å; R48-I51 PolarHBondContact O-N 3.04Å; R48-V52 WeakPolarHBondContact O-CG2 3.32Å; R48-V52 PolarHBondContact O-N 3.02Å
49	K	71.5	Confident	72.9	Confident	136 Å²	136	121.8 Å²	121.8	59%	0.591	60%	0.595	S	S	*	*	H	α-helix	trans	-64	-37.4	176.2	-74.3	-175.4	176.8	-173.8	0	112.4	V45 L46 V52 L53	V45-K49 HydrophobicContact CG1-CD 4.42Å; V45-K49 WeakPolarHBondContact O-CG 3.36Å; V45-K49 PolarHBondContact O-N 3.22Å; L46-K49 PolarHBondContact O-N 3.12Å; K49-V52 PolarHBondContact O-N 2.92Å; K49-L53 WeakPolarHBondContact O-CB 3.33Å; K49-L53 PolarHBondContact O-N 3.35Å
50	R	74.3	Confident	74.7	Confident	199 Å²	199	122 Å²	122	75%	0.751	59%	0.59	S	S	*	*	H	α-helix	trans	-65.6	-40.8	175.4	-147.1	177.6	-162.8	-179.9	4.2	111.6	L46 R47 R48 L53 F54	L46-R50 WeakPolarHBondContact O-CB 3.3Å; L46-R50 PolarHBondContact O-N 3.33Å; R47-R50 PolarHBondContact O-N 2.99Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 3.46Å; R50-L53 PolarHBondContact O-N 3.06Å; R50-F54 WeakPolarHBondContact O-CB 3.44Å; R50-F54 PolarHBondContact O-N 3.36Å
51	I	80.4	Confident	76.5	Confident	101 Å²	101	123.2 Å²	123.2	52%	0.518	59%	0.585	S	S	.	*	H	α-helix	trans	-63.2	-45.3	174.4	-67.8	162.9	0	0	0	110.9	R47 R48 L53 F54 M55	R47-I51 WeakPolarHBondContact O-CD1 3.43Å; R47-I51 VanDerWaalsContact O-CG1 3.26Å; R47-I51 WeakPolarHBondContact O-CG1 3.29Å; R47-I51 PolarHBondContact O-N 2.83Å; R48-I51 PolarHBondContact O-N 3.04Å; I51-L53 PolarHBondContact O-N 3.47Å; I51-F54 PolarHBondContact O-N 2.96Å; I51-M55 HydrophobicContact CG2-CG 4.37Å; I51-M55 VanDerWaalsContact O-CG 3.31Å; I51-M55 WeakPolarHBondContact O-CG 3.46Å; I51-M55 PolarHBondContact O-N 2.85Å
52	V	83.8	Confident	78.1	Confident	100 Å²	100	121.4 Å²	121.4	61%	0.606	58%	0.578	S	S	*	*	H	α-helix	trans	-62.7	-42.5	178.1	172.4	0	0	0	0	111.6	R48 K49 F54 M55 A56	R48-V52 WeakPolarHBondContact O-CG2 3.32Å; R48-V52 PolarHBondContact O-N 3.02Å; K49-V52 PolarHBondContact O-N 2.92Å; V52-F54 VanDerWaalsContact C-N 3.34Å; V52-F54 PolarHBondContact O-N 2.89Å; V52-M55 PolarHBondContact O-N 3.44Å; V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 3.33Å
53	L	84.5	Confident	79.8	Confident	125 Å²	125	122.3 Å²	122.3	65%	0.654	58%	0.58	S	S	*	*	H	α-helix	trans	-62.4	-40.8	174.3	-88.3	160.3	0	0	0	112.1	K49 R50 I51 A56 Y57	K49-L53 WeakPolarHBondContact O-CB 3.33Å; K49-L53 PolarHBondContact O-N 3.35Å; R50-L53 PolarHBondContact O-N 3.06Å; I51-L53 PolarHBondContact O-N 3.47Å; L53-A56 PolarHBondContact O-N 2.94Å; L53-Y57 WeakPolarHBondContact O-CB 3.44Å; L53-Y57 PolarHBondContact O-N 3.48Å
54	F	87	Confident	81.4	Confident	154 Å²	154	118.8 Å²	118.8	68%	0.675	57%	0.566	S	S	*	*	H	α-helix	trans	-65.8	-42.8	177.9	-141.4	-88.2	0	0	0	111.7	R50 I51 V52 Y57 F58	R50-F54 WeakPolarHBondContact O-CB 3.44Å; R50-F54 PolarHBondContact O-N 3.36Å; I51-F54 PolarHBondContact O-N 2.96Å; V52-F54 VanDerWaalsContact C-N 3.34Å; V52-F54 PolarHBondContact O-N 2.89Å; F54-Y57 PolarHBondContact O-N 3.43Å; F54-F58 WeakPolarHBondContact O-CB 3.36Å; F54-F58 PolarHBondContact O-N 3.49Å
55	M	89.3	Confident	82.9	Confident	124 Å²	124	117.3 Å²	117.3	61%	0.611	56%	0.563	S	S	*	*	H	α-helix	trans	-64.4	-40.8	175.6	-70.2	-63.7	-70	0	0	111.9	I51 V52 F58 L59	I51-M55 HydrophobicContact CG2-CG 4.37Å; I51-M55 VanDerWaalsContact O-CG 3.31Å; I51-M55 WeakPolarHBondContact O-CG 3.46Å; I51-M55 PolarHBondContact O-N 2.85Å; V52-M55 PolarHBondContact O-N 3.44Å; M55-F58 PolarHBondContact O-N 3.1Å; M55-L59 WeakPolarHBondContact O-CB 3.44Å; M55-L59 PolarHBondContact O-N 2.85Å
56	A	88.3	Confident	84.1	Confident	56 Å²	56	119.1 Å²	119.1	46%	0.463	57%	0.57	S	S	.	*	H	α-helix	trans	-65.5	-41.5	176.4	0	0	0	0	0	112.1	V52 L53 L59 L60	V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 3.33Å; L53-A56 PolarHBondContact O-N 2.94Å; A56-L59 PolarHBondContact O-N 3.48Å; A56-L60 WeakPolarHBondContact O-CB 3.36Å; A56-L60 PolarHBondContact O-N 3.43Å
57	Y	92.4	Very high	85.2	Confident	141 Å²	141	119.8 Å²	119.8	55%	0.553	57%	0.574	S	S	*	*	H	α-helix	trans	-66.1	-41.6	175.6	-177.1	-104.2	0	0	0	112	L53 F54 L60 L61	L53-Y57 WeakPolarHBondContact O-CB 3.44Å; L53-Y57 PolarHBondContact O-N 3.48Å; F54-Y57 PolarHBondContact O-N 3.43Å; Y57-L60 WeakPolarHBondContact O-CB 3.49Å; Y57-L60 PolarHBondContact O-N 2.52Å; Y57-L61 HydrophobicContact CD1-CD1 3.83Å; Y57-L61 HydrophobicContact CE1-CD1 3.32Å; Y57-L61 HydrophobicContact CE1-CG 4.13Å; Y57-L61 PolarHBondContact O-N 2.95Å
58	F	93.2	Very high	86	Confident	124 Å²	124	115.9 Å²	115.9	54%	0.544	57%	0.567	S	S	.	*	H	α-helix	trans	-62.9	-44	175.2	-172.9	-96.4	0	0	0	111.7	F54 M55 L60 L61 V62	F54-F58 WeakPolarHBondContact O-CB 3.36Å; F54-F58 PolarHBondContact O-N 3.49Å; M55-F58 PolarHBondContact O-N 3.1Å; F58-L60 VanDerWaalsContact C-N 3.31Å; F58-L60 PolarHBondContact O-N 3.15Å; F58-L61 PolarHBondContact O-N 3.16Å; F58-V62 HydrophobicContact CD1-CG2 4.05Å; F58-V62 HydrophobicContact CE1-CG2 3.69Å; F58-V62 HydrophobicContact CZ-CG2 4.06Å; F58-V62 WeakPolarHBondContact O-CG2 3.47Å; F58-V62 PolarHBondContact O-N 3.08Å
59	L	92.9	Very high	86.4	Confident	113 Å²	113	109.4 Å²	109.4	59%	0.592	56%	0.555	S	S	*	*	H	α-helix	trans	-60.9	-41.5	175.6	-160.9	94.8	0	0	0	111.5	M55 A56 V62 L63	M55-L59 WeakPolarHBondContact O-CB 3.44Å; M55-L59 PolarHBondContact O-N 2.85Å; A56-L59 PolarHBondContact O-N 3.48Å; L59-V62 PolarHBondContact O-N 3.1Å; L59-L63 HydrophobicContact CD2-CD1 4.19Å; L59-L63 HydrophobicContact CG-CD1 4.35Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.24Å; L59-L63 PolarHBondContact O-N 3.1Å
60	L	92.5	Very high	86.6	Confident	106 Å²	106	107.9 Å²	107.9	56%	0.555	55%	0.553	S	S	*	*	H	α-helix	trans	-61.7	-44.2	176.2	-167.3	79.2	0	0	0	111.3	A56 Y57 F58 L63 T64	A56-L60 WeakPolarHBondContact O-CB 3.36Å; A56-L60 PolarHBondContact O-N 3.43Å; Y57-L60 WeakPolarHBondContact O-CB 3.49Å; Y57-L60 PolarHBondContact O-N 2.52Å; F58-L60 VanDerWaalsContact C-N 3.31Å; F58-L60 PolarHBondContact O-N 3.15Å; L60-L63 PolarHBondContact O-N 3.36Å; L60-T64 WeakPolarHBondContact O-CG2 3.41Å; L60-T64 PolarHBondContact O-N 2.84Å; L60-T64 PolarHBondContact O-OG1 3.29Å
61	L	92.9	Very high	86.5	Confident	74 Å²	74	105.2 Å²	105.2	39%	0.387	54%	0.544	S	S	.	.	H	α-helix	trans	-63	-42.2	175.9	-83.5	171.1	0	0	0	112.5	Y57 F58 L63 T64 M65	Y57-L61 HydrophobicContact CD1-CD1 3.83Å; Y57-L61 HydrophobicContact CE1-CD1 3.32Å; Y57-L61 HydrophobicContact CE1-CG 4.13Å; Y57-L61 PolarHBondContact O-N 2.95Å; F58-L61 PolarHBondContact O-N 3.16Å; L61-L63 VanDerWaalsContact C-N 3.35Å; L61-T64 WeakPolarHBondContact CA-OG1 3.44Å; L61-T64 PolarHBondContact O-N 3.35Å; L61-T64 PolarHBondContact O-OG1 2.86Å; L61-M65 WeakPolarHBondContact O-CB 3.45Å; L61-M65 WeakPolarHBondContact O-CG 3.22Å; L61-M65 PolarHBondContact O-N 3.48Å
62	V	92.9	Very high	86	Confident	61 Å²	61	107.4 Å²	107.4	37%	0.37	55%	0.55	S	S	.	.	H	α-helix	trans	-63.7	-43.4	176.7	172.1	0	0	0	0	110.5	F58 L59 M65 L66	F58-V62 HydrophobicContact CD1-CG2 4.05Å; F58-V62 HydrophobicContact CE1-CG2 3.69Å; F58-V62 HydrophobicContact CZ-CG2 4.06Å; F58-V62 WeakPolarHBondContact O-CG2 3.47Å; F58-V62 PolarHBondContact O-N 3.08Å; L59-V62 PolarHBondContact O-N 3.1Å; V62-M65 PolarHBondContact O-N 3.08Å; V62-L66 HydrophobicContact CG1-CD1 3.98Å; V62-L66 HydrophobicContact CG1-CG 4.47Å; V62-L66 WeakPolarHBondContact O-CB 3.37Å; V62-L66 WeakPolarHBondContact O-CG 3.27Å; V62-L66 PolarHBondContact O-N 2.96Å
63	L	92.4	Very high	84.5	Confident	100 Å²	100	112.8 Å²	112.8	52%	0.524	56%	0.559	S	S	.	*	H	α-helix	trans	-65.1	-40.2	177.8	-72.5	169.9	0	0	0	112.3	L59 L60 L61 N67	L59-L63 HydrophobicContact CD2-CD1 4.19Å; L59-L63 HydrophobicContact CG-CD1 4.35Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.24Å; L59-L63 PolarHBondContact O-N 3.1Å; L60-L63 PolarHBondContact O-N 3.36Å; L61-L63 VanDerWaalsContact C-N 3.35Å; L63-N67 WeakPolarHBondContact O-CB 3.45Å; L63-N67 PolarHBondContact O-N 2.72Å
64	T	89.1	Confident	83.1	Confident	64 Å²	64	111.8 Å²	111.8	39%	0.393	56%	0.558	S	S	.	*	H	α-helix	trans	-68.6	-38.6	176.1	54.5	0	0	0	0	111.8	L60 L61 N67 L68	L60-T64 WeakPolarHBondContact O-CG2 3.41Å; L60-T64 PolarHBondContact O-N 2.84Å; L60-T64 PolarHBondContact O-OG1 3.29Å; L61-T64 WeakPolarHBondContact CA-OG1 3.44Å; L61-T64 PolarHBondContact O-N 3.35Å; L61-T64 PolarHBondContact O-OG1 2.86Å; T64-N67 PolarHBondContact O-N 3.49Å; T64-L68 WeakPolarHBondContact O-CD1 3.34Å; T64-L68 PolarHBondContact O-N 2.74Å
65	M	89.3	Confident	81.4	Confident	127 Å²	127	111.4 Å²	111.4	63%	0.626	56%	0.557	S	S	*	*	H	α-helix	trans	-66.1	-40.9	175.4	-69.8	-66.8	-91.5	0	0	112.1	L61 V62 N67 L68 A69	L61-M65 WeakPolarHBondContact O-CB 3.45Å; L61-M65 WeakPolarHBondContact O-CG 3.22Å; L61-M65 PolarHBondContact O-N 3.48Å; V62-M65 PolarHBondContact O-N 3.08Å; M65-N67 VanDerWaalsContact C-N 3.32Å; M65-N67 PolarHBondContact O-N 3.31Å; M65-L68 PolarHBondContact O-N 2.89Å; M65-A69 WeakPolarHBondContact O-CB 3.11Å; M65-A69 PolarHBondContact O-N 2.62Å
66	L	88.8	Confident	79.1	Confident	108 Å²	108	112.2 Å²	112.2	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-62.4	-39.8	172.6	-76.3	169.1	0	0	0	111.7	V62 A69 N70	V62-L66 HydrophobicContact CG1-CD1 3.98Å; V62-L66 HydrophobicContact CG1-CG 4.47Å; V62-L66 WeakPolarHBondContact O-CB 3.37Å; V62-L66 WeakPolarHBondContact O-CG 3.27Å; V62-L66 PolarHBondContact O-N 2.96Å; L66-A69 PolarHBondContact O-N 3.49Å; L66-N70 WeakPolarHBondContact O-CB 3.17Å; L66-N70 PolarHBondContact O-N 3.42Å
67	N	81.6	Confident	76.9	Confident	116 Å²	116	114.9 Å²	114.9	62%	0.62	57%	0.572	S	S	*	*	H	α-helix	trans	-68.8	-38.3	177.7	-145.5	-3.3	0	0	0	111.6	L63 T64 M65 N70 Y71	L63-N67 WeakPolarHBondContact O-CB 3.45Å; L63-N67 PolarHBondContact O-N 2.72Å; T64-N67 PolarHBondContact O-N 3.49Å; M65-N67 VanDerWaalsContact C-N 3.32Å; M65-N67 PolarHBondContact O-N 3.31Å; N67-N70 PolarHBondContact O-N 3.4Å; N67-Y71 WeakPolarHBondContact O-CB 3.3Å; N67-Y71 PolarHBondContact O-N 3.46Å
68	L	80.9	Confident	74.5	Confident	113 Å²	113	116.8 Å²	116.8	59%	0.592	59%	0.585	S	S	*	*	H	α-helix	trans	-66.1	-40.2	172	-102.4	89.9	0	0	0	112.3	T64 M65 N70 Y71 K72	T64-L68 WeakPolarHBondContact O-CD1 3.34Å; T64-L68 PolarHBondContact O-N 2.74Å; M65-L68 PolarHBondContact O-N 2.89Å; L68-N70 VanDerWaalsContact C-N 3.34Å; L68-Y71 PolarHBondContact O-N 3.43Å; L68-K72 WeakPolarHBondContact O-CB 3.46Å; L68-K72 PolarHBondContact O-N 2.82Å
69	A	76.8	Confident	71.9	Confident	56 Å²	56	119 Å²	119	46%	0.463	60%	0.597	S	S	.	*	H	α-helix	trans	-63	-42.3	176	0	0	0	0	0	111	M65 L66 K72 W73	M65-A69 WeakPolarHBondContact O-CB 3.11Å; M65-A69 PolarHBondContact O-N 2.62Å; L66-A69 PolarHBondContact O-N 3.49Å; A69-K72 PolarHBondContact O-N 3.09Å; A69-W73 WeakPolarHBondContact O-CB 3.13Å; A69-W73 PolarHBondContact O-N 3.47Å
70	N	74.6	Confident	69.1	Low	104 Å²	104	119 Å²	119	56%	0.556	61%	0.605	S	S	*	*	H	α-helix	trans	-66.5	-37.9	175.4	-155.3	22.5	0	0	0	112	L66 N67 L68 K72 W73 T74	L66-N70 WeakPolarHBondContact O-CB 3.17Å; L66-N70 PolarHBondContact O-N 3.42Å; N67-N70 PolarHBondContact O-N 3.4Å; L68-N70 VanDerWaalsContact C-N 3.34Å; N70-K72 VanDerWaalsContact C-N 3.34Å; N70-W73 PolarHBondContact O-N 3.35Å; N70-T74 WeakPolarHBondContact O-CG2 3.48Å; N70-T74 PolarHBondContact O-N 3.48Å; N70-T74 VanDerWaalsContact O-N 3.15Å; N70-T74 PolarHBondContact O-OG1 3.09Å
71	Y	72.5	Confident	66.6	Low	142 Å²	142	121.1 Å²	121.1	56%	0.557	62%	0.617	S	S	*	*	H	α-helix	trans	-64.9	-35.9	172.5	-179.1	-100.7	0	0	0	112.6	N67 L68 T74 K75	N67-Y71 WeakPolarHBondContact O-CB 3.3Å; N67-Y71 PolarHBondContact O-N 3.46Å; L68-Y71 PolarHBondContact O-N 3.43Å; Y71-T74 PolarHBondContact O-OG1 2.83Å; Y71-T74 VanDerWaalsContact O-OG1 3.1Å; Y71-K75 PolarHBondContact OH-NZ 3.34Å
72	K	69.9	Low	64	Low	148 Å²	148	126.2 Å²	126.2	64%	0.643	64%	0.639	S	S	*	*	H	α-helix	trans	-72	-40.8	176.2	-163.7	179.1	179.7	-173	0	111.7	L68 A69 N70 T74 K75	L68-K72 WeakPolarHBondContact O-CB 3.46Å; L68-K72 PolarHBondContact O-N 2.82Å; A69-K72 PolarHBondContact O-N 3.09Å; N70-K72 VanDerWaalsContact C-N 3.34Å; K72-T74 VanDerWaalsContact C-N 3.3Å; K72-T74 PolarHBondContact O-N 2.8Å; K72-K75 PolarHBondContact O-N 2.7Å
73	W	52	Low	61.3	Low	213 Å²	213	132.7 Å²	132.7	81%	0.807	67%	0.665	S	S	*	*	H	α-helix	trans	-64.5	-32.9	178.6	-157.6	-67.9	0	0	0	112.9	A69 N70 K75	A69-W73 WeakPolarHBondContact O-CB 3.13Å; A69-W73 PolarHBondContact O-N 3.47Å; N70-W73 PolarHBondContact O-N 3.35Å; W73-K75 VanDerWaalsContact C-N 3.29Å; W73-K75 PolarHBondContact O-N 2.79Å
74	T	56.5	Low	58.4	Low	103 Å²	103	136.9 Å²	136.9	63%	0.632	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-6.6	-179.7	46	0	0	0	0	114.3	N70 Y71 K72	N70-T74 WeakPolarHBondContact O-CG2 3.48Å; N70-T74 PolarHBondContact O-N 3.48Å; N70-T74 VanDerWaalsContact O-N 3.15Å; N70-T74 PolarHBondContact O-OG1 3.09Å; Y71-T74 PolarHBondContact O-OG1 2.83Å; Y71-T74 VanDerWaalsContact O-OG1 3.1Å; K72-T74 VanDerWaalsContact C-N 3.3Å; K72-T74 PolarHBondContact O-N 2.8Å
75	K	50.4	Low	55.7	Low	147 Å²	147	145 Å²	145	64%	0.639	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-5.6	-177.5	-94.4	-160.5	173	-176.2	0	115.9	Y71 K72 W73	Y71-K75 PolarHBondContact OH-NZ 3.34Å; K72-K75 PolarHBondContact O-N 2.7Å; W73-K75 VanDerWaalsContact C-N 3.29Å; W73-K75 PolarHBondContact O-N 2.79Å
76	E	41.8	Very low	53.2	Low	141 Å²	141	144.4 Å²	144.4	66%	0.659	72%	0.716	S	S	*	*	S	Bend	trans	-77.7	124.6	167.2	-76.1	-164.2	176.6	0	0	109.8	Q78	E76-Q78 PolarHBondContact O-N 3.06Å
77	P	41.1	Very low	50.4	Low	112 Å²	112	144.6 Å²	144.6	73%	0.727	72%	0.722	S	S	*	*			trans	-64.4	120.2	171.8	26	-29.4	0	0	0	107.8	Q79	P77-Q79 VanDerWaalsContact C-N 3.33Å; P77-Q79 PolarHBondContact O-N 3.18Å
78	Q	42.8	Very low	48.4	Very low	180 Å²	180	145.5 Å²	145.5	84%	0.841	73%	0.732	S	S	*	*			trans	-61.5	99.5	169.2	-76.8	-166.3	-35.6	0	0	108.7	E76 C80	E76-Q78 PolarHBondContact O-N 3.06Å; Q78-C80 PolarHBondContact O-N 2.94Å; Q78-C80 VanDerWaalsContact O-N 3.17Å
79	Q	38.8	Very low	46	Very low	170 Å²	170	150.2 Å²	150.2	79%	0.794	74%	0.743	S	S	*	*			trans	-76.8	99.1	172.9	-150.5	158.7	-2.2	0	0	106.9	P77 N81	P77-Q79 VanDerWaalsContact C-N 3.33Å; P77-Q79 PolarHBondContact O-N 3.18Å; Q79-N81 VanDerWaalsContact C-N 3.33Å; Q79-N81 PolarHBondContact O-N 2.68Å
80	C	34.2	Very low	44.3	Very low	113 Å²	113	156.7 Å²	156.7	76%	0.764	76%	0.764	S	S	*	*			trans	-68.1	87.2	176.4	-73.2	0	0	0	0	110.6	Q78 H82	Q78-C80 PolarHBondContact O-N 2.94Å; Q78-C80 VanDerWaalsContact O-N 3.17Å; C80-H82 PolarHBondContact O-N 2.93Å
81	N	40.3	Very low	42.3	Very low	151 Å²	151	156.2 Å²	156.2	81%	0.807	77%	0.768	S	S	*	*			trans	-89.6	80.9	161.7	-87.2	-8.7	0	0	0	109.2	Q79	Q79-N81 VanDerWaalsContact C-N 3.33Å; Q79-N81 PolarHBondContact O-N 2.68Å
82	H	37.8	Very low	40.8	Very low	181 Å²	181	161.2 Å²	161.2	84%	0.838	79%	0.786	S	S	*	*			trans	-104.5	112.5	156.3	-93.9	-68.9	0	0	0	108.4	C80 M84	C80-H82 PolarHBondContact O-N 2.93Å; H82-M84 PolarHBondContact O-N 3.08Å
83	Q	35.2	Very low	39.5	Very low	197 Å²	197	158.2 Å²	158.2	92%	0.921	78%	0.784	S	S	*	*			trans	-58	106.6	165	-108.6	172.2	-31.5	0	0	108.6	R85	Q83-R85 PolarHBondContact O-N 2.83Å
84	M	32	Very low	39	Very low	188 Å²	188	153 Å²	153	93%	0.926	77%	0.772	S	S	*	*			trans	-66.8	109.6	166.2	-95.2	-172.8	158.5	0	0	108.4	H82 S86	H82-M84 PolarHBondContact O-N 3.08Å; M84-S86 PolarHBondContact O-N 3.39Å
85	R	32.4	Very low	38.4	Very low	236 Å²	236	154 Å²	154	89%	0.891	77%	0.772	S	S	*	*			trans	-65.9	115	154.9	-91.2	-179.1	172.1	175.8	-2.6	107	Q83 T87	Q83-R85 PolarHBondContact O-N 2.83Å; R85-T87 PolarHBondContact O-N 3.14Å
86	S	36.6	Very low	38.2	Very low	113 Å²	113	156.2 Å²	156.2	79%	0.79	78%	0.777	S	S	*	*			trans	-62.7	104.7	169.8	-177	0	0	0	0	108.8	M84	M84-S86 PolarHBondContact O-N 3.39Å
87	T	31.1	Very low	38.1	Very low	113 Å²	113	158.1 Å²	158.1	69%	0.693	78%	0.783	S	S	*	*			trans	-112.8	119.1	158.7	34.4	0	0	0	0	107.8	R85 Y89	R85-T87 PolarHBondContact O-N 3.14Å; T87-Y89 VanDerWaalsContact C-N 3.31Å; T87-Y89 PolarHBondContact O-N 3Å
88	T	38.5	Very low	38.2	Very low	135 Å²	135	160.2 Å²	160.2	83%	0.828	79%	0.787	S	S	*	*			trans	-66.8	84.9	-179.9	-26.7	0	0	0	0	109.7
89	Y	29.8	Very low	38.3	Very low	212 Å²	212	161.1 Å²	161.1	83%	0.831	78%	0.784	S	S	*	*			trans	-92.6	100.3	167	-113.3	-92.5	0	0	0	108.6	T87 S91	T87-Y89 VanDerWaalsContact C-N 3.31Å; T87-Y89 PolarHBondContact O-N 3Å; Y89-S91 PolarHBondContact O-N 3.01Å
90	Q	42.3	Very low	38.1	Very low	192 Å²	192	163 Å²	163	90%	0.897	78%	0.784	S	S	*	*			trans	-67.7	83.2	164.4	-82.5	-179.5	-26.6	0	0	109
91	S	32.7	Very low	38.2	Very low	93 Å²	93	162.6 Å²	162.6	65%	0.65	78%	0.78	S	S	*	*			trans	-89.8	97.2	155.6	-170.1	0	0	0	0	106.8	Y89 S93	Y89-S91 PolarHBondContact O-N 3.01Å; S91-S93 PolarHBondContact O-N 2.86Å
92	R	41.1	Very low	38.4	Very low	247 Å²	247	159.7 Å²	159.7	93%	0.932	77%	0.772	S	S	*	*			trans	-64.7	84.3	155.8	-94.8	-176.8	167.5	177.6	-2.4	106.3	D94	R92-D94 PolarHBondContact O-N 3.14Å; R92-D94 VanDerWaalsContact O-N 3.09Å
93	S	41.3	Very low	38.8	Very low	86 Å²	86	159.9 Å²	159.9	60%	0.601	78%	0.778	S	S	*	*			trans	-66.8	103.9	163.4	40.3	0	0	0	0	106.6	S91 I95	S91-S93 PolarHBondContact O-N 2.86Å; S93-I95 VanDerWaalsContact C-N 3.26Å; S93-I95 PolarHBondContact O-N 2.84Å
94	D	41.5	Very low	39.7	Very low	102 Å²	102	153.8 Å²	153.8	55%	0.545	76%	0.761	S	S	.	*			trans	-68.2	91.3	172.1	-143.5	-18.6	0	0	0	107.2	R92 R96 F97	R92-D94 PolarHBondContact O-N 3.14Å; R92-D94 VanDerWaalsContact O-N 3.09Å; D94-R96 PolarHBondContact O-N 2.97Å; D94-R96 IonicContact OD1-CZ 3.58Å; D94-R96 IonicContact OD1-NE 2.72Å; D94-R96 PolarHBondContact OD1-NE 2.94Å; D94-R96 IonicContact OD1-NH2 3.99Å; D94-R96 PolarHBondContact OD1-NH2 3.34Å; D94-R96 VanDerWaalsContact OD1-NH2 3.09Å; D94-R96 IonicContact OD2-NE 3.54Å; D94-R96 IonicContact OD2-NH2 3.97Å; D94-F97 PolarHBondContact O-N 3.26Å
95	I	45.7	Very low	41.2	Very low	124 Å²	124	151.6 Å²	151.6	64%	0.636	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-56.2	-11.1	179.6	-66.9	169.8	0	0	0	111.8	S93 F97 L98	S93-I95 VanDerWaalsContact C-N 3.26Å; S93-I95 PolarHBondContact O-N 2.84Å; I95-F97 PolarHBondContact O-N 3.37Å; I95-F97 VanDerWaalsContact O-N 3.16Å; I95-L98 PolarHBondContact O-N 3.28Å
96	R	45.2	Very low	43.5	Very low	195 Å²	195	147.9 Å²	147.9	74%	0.736	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-61.2	-17.4	174.7	-79.6	179.9	-83.7	-165.6	-4.2	114.9	D94	D94-R96 PolarHBondContact O-N 2.97Å; D94-R96 IonicContact OD1-CZ 3.58Å; D94-R96 IonicContact OD1-NE 2.72Å; D94-R96 PolarHBondContact OD1-NE 2.94Å; D94-R96 IonicContact OD1-NH2 3.99Å; D94-R96 PolarHBondContact OD1-NH2 3.34Å; D94-R96 VanDerWaalsContact OD1-NH2 3.09Å; D94-R96 IonicContact OD2-NE 3.54Å; D94-R96 IonicContact OD2-NH2 3.97Å
97	F	40.6	Very low	46.1	Very low	181 Å²	181	145.1 Å²	145.1	79%	0.794	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-80.9	-19.2	175.5	-143.3	-90.3	0	0	0	114.1	D94 I95 Y99	D94-F97 PolarHBondContact O-N 3.26Å; I95-F97 PolarHBondContact O-N 3.37Å; I95-F97 VanDerWaalsContact O-N 3.16Å; F97-Y99 VanDerWaalsContact C-N 3.31Å
98	L	43.4	Very low	49.1	Very low	155 Å²	155	140.6 Å²	140.6	81%	0.812	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-6.9	175.6	-67.9	176.5	0	0	0	113.4	I95	I95-L98 PolarHBondContact O-N 3.28Å
99	Y	43.5	Very low	52	Low	200 Å²	200	134.3 Å²	134.3	78%	0.784	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	55.9	174	-109.6	-92.6	0	0	0	109	F97 P101	F97-Y99 VanDerWaalsContact C-N 3.31Å; Y99-P101 WeakPolarHBondContact O-CD 3.18Å
100	R	34.7	Very low	55.3	Low	210 Å²	210	124.2 Å²	124.2	79%	0.792	60%	0.602	S	S	*	*			trans	-71.7	109	152.4	-147.9	176.3	-164.4	-178.6	4.4	104.4	S102	R100-S102 PolarHBondContact O-N 3.02Å
101	P	37.2	Very low	58	Low	104 Å²	104	115.1 Å²	115.1	68%	0.675	56%	0.559	S	S	*	*			trans	-65.1	103.2	169	9.1	6.1	0	0	0	103.2	Y99 L103	Y99-P101 WeakPolarHBondContact O-CD 3.18Å; P101-L103 PolarHBondContact O-N 3.21Å; P101-L103 VanDerWaalsContact O-N 3.11Å
102	S	44.1	Very low	61.1	Low	90 Å²	90	110.7 Å²	110.7	63%	0.629	53%	0.528	S	S	*	.			trans	-53.1	127	157.3	61.4	0	0	0	0	104.2	R100 A104	R100-S102 PolarHBondContact O-N 3.02Å; S102-A104 PolarHBondContact O-N 2.99Å; S102-A104 WeakPolarHBondContact OG-CB 3.43Å
103	L	46.4	Very low	63.9	Low	185 Å²	185	99.1 Å²	99.1	97%	0.969	48%	0.484	S	S	*	.			trans	-62.3	52.2	152.2	-79.4	152.8	0	0	0	107.2	P101 K105	P101-L103 PolarHBondContact O-N 3.21Å; P101-L103 VanDerWaalsContact O-N 3.11Å; L103-K105 VanDerWaalsContact C-N 3.28Å; L103-K105 PolarHBondContact O-N 3.07Å
104	A	53.5	Low	66.5	Low	68 Å²	68	95.3 Å²	95.3	56%	0.562	46%	0.458	S	S	*	.			trans	-65.5	101.1	174.7	0	0	0	0	0	103.9	S102 K106	S102-A104 PolarHBondContact O-N 2.99Å; S102-A104 WeakPolarHBondContact OG-CB 3.43Å; A104-K106 PolarHBondContact O-N 2.84Å
105	K	63.7	Low	69	Low	143 Å²	143	91.5 Å²	91.5	62%	0.622	44%	0.438	S	S	*	.			trans	-41.9	114.8	164.9	-166.5	175.8	179	-163.7	0	106.7	L103 R107 N240	L103-K105 VanDerWaalsContact C-N 3.28Å; L103-K105 PolarHBondContact O-N 3.07Å; K105-R107 PolarHBondContact O-N 3.32Å; K105-N240 WeakPolarHBondContact CD-OD1 3.29Å; K105-N240 WeakPolarHBondContact CE-OD1 3.32Å; K105-N240 PolarHBondContact NZ-ND2 3.25Å; K105-N240 PolarHBondContact NZ-OD1 2.91Å; K105-N240 VanDerWaalsContact NZ-OD1 3.09Å
106	K	80.9	Confident	71.4	Confident	157 Å²	157	86.1 Å²	86.1	68%	0.683	41%	0.41	S	S	*	.			trans	-55.4	107.8	-173.9	-170.5	175	178.2	179	0	107.9	A104 D265	A104-K106 PolarHBondContact O-N 2.84Å; K106-D265 HydrophobicContact CG-CB 4.36Å
107	R	91.6	Very high	73.7	Confident	55 Å²	55	79 Å²	79	21%	0.208	38%	0.383	C	S	.	.			trans	-81.8	145	-179.3	-69.5	-170.1	-178.7	131.7	11.7	109.4	K105 L109 C169 L237 Y239 N240	K105-R107 PolarHBondContact O-N 3.32Å; R107-L109 HydrophobicContact CB-CD2 4.02Å; R107-C169 PolarHBondContact NH1-SG 3.14Å; R107-L237 PolarHBondContact NH2-O 2.89Å; R107-Y239 WeakPolarHBondContact CD-O 3.05Å; R107-Y239 PolarHBondContact NE-O 3.03Å; R107-Y239 VanDerWaalsContact NE-O 3.1Å; R107-N240 CarbonylContact C-O 3.53Å; R107-N240 WeakPolarHBondContact CA-O 3.46Å; R107-N240 WeakPolarHBondContact CB-O 3.07Å
108	Q	94.5	Very high	76.3	Confident	18 Å²	18	70.4 Å²	70.4	8%	0.084	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.8	169	-174.1	169.5	-29.3	0	0	110.3	I110 N240 T241 I242 A378 N379	Q108-I110 HydrophobicContact CG-CG1 4.43Å; Q108-N240 PolarHBondContact N-O 3.35Å; Q108-T241 WeakPolarHBondContact O-CA 3.25Å; Q108-I242 PolarHBondContact O-N 2.89Å; Q108-A378 VanDerWaalsContact CD-O 3.31Å; Q108-A378 VanDerWaalsContact NE2-CA 3.31Å; Q108-A378 PolarHBondContact NE2-O 2.95Å; Q108-A378 PolarHBondContact OE1-O 3.06Å; Q108-N379 VanDerWaalsContact OE1-CB 3.27Å; Q108-N379 PolarHBondContact OE1-ND2 3.45Å
109	L	98.3	Very high	78.7	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133	-176.2	-48.6	172.7	0	0	0	108.7	R107 Y167 I242 L264 D265 L266 K267	R107-L109 HydrophobicContact CB-CD2 4.02Å; L109-Y167 HydrophobicContact CB-CD1 3.81Å; L109-Y167 HydrophobicContact CB-CE1 3.86Å; L109-Y167 HydrophobicContact CB-CG 4.2Å; L109-Y167 HydrophobicContact CD1-CD1 4.25Å; L109-Y167 HydrophobicContact CD1-CD2 4.33Å; L109-Y167 HydrophobicContact CD1-CG 3.91Å; L109-Y167 HydrophobicContact CD2-CD1 3.69Å; L109-Y167 HydrophobicContact CD2-CE1 4.47Å; L109-Y167 HydrophobicContact CD2-CG 4.1Å; L109-Y167 HydrophobicContact CG-CD1 4.11Å; L109-Y167 HydrophobicContact CG-CG 4.28Å; L109-I242 HydrophobicContact CD2-CB 4.07Å; L109-I242 HydrophobicContact CD2-CD1 4.05Å; L109-I242 HydrophobicContact CD2-CG1 4.35Å; L109-L264 HydrophobicContact CD1-CB 3.88Å; L109-L264 HydrophobicContact CD1-CD2 3.44Å; L109-L264 VanDerWaalsContact CD1-CD2 3.44Å; L109-L264 HydrophobicContact CD1-CG 4.21Å; L109-D265 PolarHBondContact N-O 2.98Å; L109-D265 VanDerWaalsContact N-O 3.08Å; L109-L266 HydrophobicContact CB-CB 4.43Å; L109-L266 HydrophobicContact CB-CD1 3.99Å; L109-L266 WeakPolarHBondContact O-CA 3.5Å; L109-K267 PolarHBondContact O-N 3.32Å
110	I	98.8	Very high	81.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.4	-177.6	-62	170.7	0	0	0	109.3	Q108 V112 Y167 T241 I242 V243 I244 K267 I269 A378	Q108-I110 HydrophobicContact CG-CG1 4.43Å; I110-V112 HydrophobicContact CG2-CG2 4.45Å; I110-Y167 PolarHBondContact O-OH 2.84Å; I110-Y167 VanDerWaalsContact O-OH 3.13Å; I110-T241 HydrophobicContact CD1-CG2 4.27Å; I110-I242 PolarHBondContact N-O 2.99Å; I110-V243 HydrophobicContact CB-CG1 4.49Å; I110-V243 HydrophobicContact CB-CG2 3.99Å; I110-V243 HydrophobicContact CD1-CG2 4.04Å; I110-V243 HydrophobicContact CG2-CG1 4.32Å; I110-V243 HydrophobicContact CG2-CG2 4.45Å; I110-V243 WeakPolarHBondContact O-CA 3.46Å; I110-I244 PolarHBondContact O-N 3.48Å; I110-K267 WeakPolarHBondContact CA-O 3.37Å; I110-I269 HydrophobicContact CG2-CD1 3.64Å; I110-I269 HydrophobicContact CG2-CG1 4.04Å; I110-A378 HydrophobicContact CD1-CB 3.38Å
111	Y	98.9	Very high	84.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.1	166.4	-167.5	-115.6	0	0	0	110.3	L113 M140 L163 Y167 I244 G246 I249 L255 K267 V268 I269	Y111-L113 HydrophobicContact CD1-CB 3.76Å; Y111-L113 HydrophobicContact CD1-CD1 4.4Å; Y111-L113 HydrophobicContact CE1-CB 3.81Å; Y111-L113 HydrophobicContact CE1-CD1 3.72Å; Y111-L113 HydrophobicContact CE1-CG 4.38Å; Y111-L113 PolarHBondContact O-N 3.4Å; Y111-M140 HydrophobicContact CE2-CE 3.71Å; Y111-M140 VanDerWaalsContact OH-CE 3.27Å; Y111-M140 WeakPolarHBondContact OH-CE 3.2Å; Y111-L163 HydrophobicContact CD2-CD1 3.86Å; Y111-L163 HydrophobicContact CD2-CD2 3.91Å; Y111-L163 HydrophobicContact CE2-CD1 4.06Å; Y111-L163 HydrophobicContact CE2-CD2 4.2Å; Y111-L163 HydrophobicContact CG-CD2 4.31Å; Y111-Y167 VanDerWaalsContact CA-OH 3.32Å; Y111-Y167 WeakPolarHBondContact CA-OH 3.35Å; Y111-Y167 VanDerWaalsContact CB-OH 3.29Å; Y111-Y167 WeakPolarHBondContact CB-OH 3.48Å; Y111-Y167 PolarHBondContact N-OH 3.16Å; Y111-I244 HydrophobicContact CD2-CB 4.3Å; Y111-I244 HydrophobicContact CD2-CG2 4.32Å; Y111-I244 WeakPolarHBondContact CD2-O 3.44Å; Y111-I244 HydrophobicContact CE2-CG2 4.25Å; Y111-G246 WeakPolarHBondContact OH-CA 3.14Å; Y111-I249 HydrophobicContact CE1-CB 3.92Å; Y111-I249 HydrophobicContact CE1-CG1 4.14Å; Y111-I249 HydrophobicContact CE1-CG2 4.38Å; Y111-I249 VanDerWaalsContact OH-CB 3.28Å; Y111-I249 WeakPolarHBondContact OH-CB 3.32Å; Y111-I249 WeakPolarHBondContact OH-CG1 3.49Å; Y111-L255 HydrophobicContact CD1-CD1 3.66Å; Y111-L255 HydrophobicContact CE1-CD1 4.27Å; Y111-L255 HydrophobicContact CG-CD1 4.31Å; Y111-K267 PolarHBondContact N-O 3.08Å; Y111-V268 WeakPolarHBondContact O-CA 3.37Å; Y111-I269 PolarHBondContact O-N 2.73Å
112	V	98.8	Very high	86.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	94.8	166.4	179.5	0	0	0	0	107.7	I110 F123 F127 V243 I244 K245 G246 I269	I110-V112 HydrophobicContact CG2-CG2 4.45Å; V112-F123 HydrophobicContact CG1-CD1 3.65Å; V112-F123 HydrophobicContact CG1-CE1 3.77Å; V112-F123 HydrophobicContact CG2-CD1 4.41Å; V112-F123 HydrophobicContact CG2-CE1 4.1Å; V112-F127 HydrophobicContact CG2-CD2 4.3Å; V112-F127 HydrophobicContact CG2-CE2 3.95Å; V112-V243 HydrophobicContact CG2-CG1 3.99Å; V112-I244 PolarHBondContact N-O 3.38Å; V112-K245 HydrophobicContact CB-CB 4.24Å; V112-K245 HydrophobicContact CB-CG 4.29Å; V112-K245 HydrophobicContact CG1-CG 4.29Å; V112-G246 PolarHBondContact O-N 3.39Å; V112-G246 VanDerWaalsContact O-O 3.11Å; V112-I269 CarbonylContact C-O 3.54Å; V112-I269 WeakPolarHBondContact CA-O 3.33Å
113	L	98.7	Very high	89.5	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.5	175.6	176.8	65.7	0	0	0	109.2	Y111 I249 V252 V268 I269 H270 L271 T340	Y111-L113 HydrophobicContact CD1-CB 3.76Å; Y111-L113 HydrophobicContact CD1-CD1 4.4Å; Y111-L113 HydrophobicContact CE1-CB 3.81Å; Y111-L113 HydrophobicContact CE1-CD1 3.72Å; Y111-L113 HydrophobicContact CE1-CG 4.38Å; Y111-L113 PolarHBondContact O-N 3.4Å; L113-I249 HydrophobicContact CD1-CB 4.19Å; L113-I249 HydrophobicContact CD1-CG2 4.05Å; L113-I249 VanDerWaalsContact CD1-O 3.25Å; L113-I249 WeakPolarHBondContact CD1-O 3.33Å; L113-V252 HydrophobicContact CD2-CB 3.99Å; L113-V252 HydrophobicContact CD2-CG2 4.36Å; L113-V268 HydrophobicContact CB-CG1 3.79Å; L113-V268 HydrophobicContact CD2-CG1 4.19Å; L113-I269 PolarHBondContact N-O 3.26Å; L113-H270 HydrophobicContact CD2-CB 4.49Å; L113-H270 CarbonylContact O-C 3.07Å; L113-H270 VanDerWaalsContact O-CA 3.31Å; L113-H270 WeakPolarHBondContact O-CA 3.37Å; L113-H270 PolarHBondContact O-CD2 2.67Å; L113-L271 PolarHBondContact O-N 2.66Å; L113-T340 HydrophobicContact CD2-CG2 3.96Å
114	T	97.6	Very high	91.9	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.043	14%	0.144	C	C	.	.			trans	-165.7	-174.6	174.6	-165.6	0	0	0	0	110.5	S118 G246 V247 L271	T114-S118 WeakPolarHBondContact OG1-CB 3.45Å; T114-S118 PolarHBondContact OG1-OG 3.37Å; T114-G246 PolarHBondContact N-O 3.22Å; T114-V247 HydrophobicContact CG2-CG1 3.74Å; T114-V247 WeakPolarHBondContact O-CA 3.48Å; T114-L271 WeakPolarHBondContact CB-O 3.2Å; T114-L271 PolarHBondContact OG1-O 3.27Å
115	T	93.8	Very high	94	Very high	21 Å²	21	25.3 Å²	25.3	13%	0.129	12%	0.118	C	C	.	.			trans	-115.4	164.9	172.8	179.6	0	0	0	0	110.6	S118 I333	T115-S118 WeakPolarHBondContact O-CB 3.33Å; T115-S118 PolarHBondContact O-OG 2.9Å; T115-I333 HydrophobicContact CG2-CG2 3.96Å; T115-I333 WeakPolarHBondContact OG1-CG2 3.22Å
116	W	94.4	Very high	95.7	Very high	11 Å²	11	18.5 Å²	18.5	4%	0.042	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	144.6	174.7	-56.8	-104	0	0	0	110.7	S118 W144 V247 R248 L250 L289 E292 V296	W116-S118 PolarHBondContact O-N 3.03Å; W116-W144 HydrophobicContact CH2-CE3 4.39Å; W116-W144 AromaticContact CH2-CH2 3.36Å; W116-W144 HydrophobicContact CH2-CH2 3.36Å; W116-W144 AromaticContact CH2-CZ2 3.88Å; W116-W144 HydrophobicContact CH2-CZ2 3.88Å; W116-W144 AromaticContact CH2-CZ3 3.68Å; W116-W144 HydrophobicContact CH2-CZ3 3.68Å; W116-W144 HydrophobicContact CZ2-CE3 4.17Å; W116-W144 AromaticContact CZ2-CH2 3.96Å; W116-W144 HydrophobicContact CZ2-CH2 3.96Å; W116-W144 HydrophobicContact CZ2-CZ2 4.42Å; W116-W144 AromaticContact CZ2-CZ3 3.83Å; W116-W144 HydrophobicContact CZ2-CZ3 3.83Å; W116-W144 HydrophobicContact CZ3-CH2 4.37Å; W116-V247 HydrophobicContact CD2-CB 4.07Å; W116-V247 HydrophobicContact CD2-CG2 3.92Å; W116-V247 HydrophobicContact CG-CB 4.19Å; W116-V247 HydrophobicContact CG-CG2 4Å; W116-V247 WeakPolarHBondContact CH2-O 3.22Å; W116-V247 HydrophobicContact CZ2-CG2 4.09Å; W116-V247 WeakPolarHBondContact CZ3-O 3.42Å; W116-R248 HydrophobicContact CH2-CG 3.86Å; W116-R248 HydrophobicContact CZ2-CG 3.42Å; W116-R248 VanDerWaalsContact CZ2-CG 3.42Å; W116-L250 HydrophobicContact CH2-CD2 4.48Å; W116-L250 HydrophobicContact CZ3-CD2 4.14Å; W116-L289 HydrophobicContact CG-CD2 4.34Å; W116-E292 HydrophobicContact CZ2-CB 4.34Å; W116-E292 HydrophobicContact CZ2-CG 4Å; W116-V296 HydrophobicContact CH2-CG2 4.41Å; W116-V296 HydrophobicContact CZ3-CG2 4.24Å
117	R	94.6	Very high	96.5	Very high	45 Å²	45	11 Å²	11	17%	0.17	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	12.2	174.4	-47.9	-54.5	-61	168.3	-1.9	115.5	G119 R273 V278 S281 R282 S285 L289 P403	R117-G119 PolarHBondContact O-N 3Å; R117-R273 PolarHBondContact O-NH1 3.08Å; R117-R273 VanDerWaalsContact O-NH1 3.12Å; R117-V278 HydrophobicContact CB-CG1 4.42Å; R117-S281 VanDerWaalsContact CZ-OG 3.28Å; R117-S281 PolarHBondContact NE-OG 3.04Å; R117-S281 PolarHBondContact NH2-OG 2.98Å; R117-R282 HydrophobicContact CB-CG 4.18Å; R117-R282 HydrophobicContact CG-CG 3.75Å; R117-S285 PolarHBondContact NE-OG 2.93Å; R117-S285 PolarHBondContact NH2-OG 3.16Å; R117-L289 HydrophobicContact CG-CD1 3.84Å; R117-P403 PolarHBondContact NH1-O 3.46Å; R117-P403 PolarHBondContact NH2-O 3.45Å
118	S	95.1	Very high	96.8	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.007	5%	0.047	C	C	.	.	S	Bend	trans	-73.6	-1.2	172.4	62.2	0	0	0	0	115.3	T114 T115 W116 S120 R273 Y360	T114-S118 WeakPolarHBondContact OG1-CB 3.45Å; T114-S118 PolarHBondContact OG1-OG 3.37Å; T115-S118 WeakPolarHBondContact O-CB 3.33Å; T115-S118 PolarHBondContact O-OG 2.9Å; W116-S118 PolarHBondContact O-N 3.03Å; S118-S120 WeakPolarHBondContact OG-CB 3.02Å; S118-S120 PolarHBondContact OG-N 3.46Å; S118-R273 VanDerWaalsContact O-CD 3.3Å; S118-R273 WeakPolarHBondContact O-CD 3.45Å; S118-Y360 WeakPolarHBondContact O-CD2 3.47Å
119	G	94.9	Very high	96.9	Very high	14 Å²	14	7.8 Å²	7.8	14%	0.144	4%	0.043	C	C	.	.	S	Bend	trans	88	6.1	-168.9	0	0	0	0	0	113.8	R117 S121 F122 F123	R117-G119 PolarHBondContact O-N 3Å; G119-S121 PolarHBondContact O-N 2.61Å; G119-S121 VanDerWaalsContact O-N 3.14Å; G119-F122 PolarHBondContact O-N 3.46Å; G119-F122 VanDerWaalsContact O-N 3.13Å; G119-F123 PolarHBondContact O-N 3.24Å; G119-F123 VanDerWaalsContact O-N 3.17Å
120	S	95.8	Very high	96.9	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.021	4%	0.044	C	C	.	.	H	α-helix	trans	-60.4	-22.2	-177.7	63	0	0	0	0	116	S118 G124 K245 L271	S118-S120 WeakPolarHBondContact OG-CB 3.02Å; S118-S120 PolarHBondContact OG-N 3.46Å; S120-G124 PolarHBondContact O-N 3.34Å; S120-K245 VanDerWaalsContact C-CE 3.49Å; S120-K245 VanDerWaalsContact O-CE 3.25Å; S120-K245 WeakPolarHBondContact O-CE 3.31Å; S120-K245 WeakPolarHBondContact OG-CE 3.21Å; S120-K245 PolarHBondContact OG-NZ 2.85Å; S120-K245 VanDerWaalsContact OG-NZ 3.13Å; S120-L271 VanDerWaalsContact CA-CD2 3.46Å
121	S	94.9	Very high	96.7	Very high	26 Å²	26	9.6 Å²	9.6	18%	0.182	6%	0.055	C	C	.	.	H	α-helix	trans	-65.9	-47.2	173.8	-53	0	0	0	0	111.3	G119 G124 E125 Y137	G119-S121 PolarHBondContact O-N 2.61Å; G119-S121 VanDerWaalsContact O-N 3.14Å; S121-G124 PolarHBondContact O-N 3.02Å; S121-E125 PolarHBondContact O-N 3.19Å; S121-Y137 WeakPolarHBondContact CB-OH 3.21Å; S121-Y137 PolarHBondContact OG-OH 2.94Å
122	F	96.3	Very high	96.5	Very high	18 Å²	18	15 Å²	15	8%	0.079	8%	0.08	C	C	.	.	H	α-helix	trans	-64.8	-45.3	173.5	165	-119.2	0	0	0	111.3	G119 G124 E125 L126 Y360 L363 M393 T394 V406	G119-F122 PolarHBondContact O-N 3.46Å; G119-F122 VanDerWaalsContact O-N 3.13Å; F122-G124 VanDerWaalsContact C-N 3.27Å; F122-G124 PolarHBondContact O-N 3.38Å; F122-E125 WeakPolarHBondContact O-CB 3.08Å; F122-E125 PolarHBondContact O-N 3.05Å; F122-L126 HydrophobicContact CE2-CD2 3.92Å; F122-L126 HydrophobicContact CZ-CD2 3.95Å; F122-L126 HydrophobicContact CZ-CG 4.49Å; F122-L126 PolarHBondContact O-N 2.01Å; F122-Y360 HydrophobicContact CD1-CE2 4.38Å; F122-L363 HydrophobicContact CD1-CD2 4.1Å; F122-L363 HydrophobicContact CE1-CD2 3.84Å; F122-L363 HydrophobicContact CE1-CG 4.15Å; F122-M393 HydrophobicContact CD2-CB 3.88Å; F122-M393 HydrophobicContact CE2-CB 3.39Å; F122-M393 HydrophobicContact CE2-CG 4.16Å; F122-M393 HydrophobicContact CZ-CB 4.2Å; F122-T394 HydrophobicContact CD1-CG2 4.42Å; F122-T394 HydrophobicContact CE1-CG2 3.48Å; F122-T394 VanDerWaalsContact CE1-CG2 3.48Å; F122-T394 HydrophobicContact CE2-CG2 4.43Å; F122-T394 HydrophobicContact CZ-CG2 3.5Å; F122-T394 VanDerWaalsContact CZ-CG2 3.5Å; F122-V406 HydrophobicContact CB-CG1 4.43Å
123	F	98.1	Very high	96.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.6	-36.9	178.5	-170.3	-101.5	0	0	0	112.8	V112 G119 E125 L126 F127 I269 L271 V358 L363 V374	V112-F123 HydrophobicContact CG1-CD1 3.65Å; V112-F123 HydrophobicContact CG1-CE1 3.77Å; V112-F123 HydrophobicContact CG2-CD1 4.41Å; V112-F123 HydrophobicContact CG2-CE1 4.1Å; G119-F123 PolarHBondContact O-N 3.24Å; G119-F123 VanDerWaalsContact O-N 3.17Å; F123-E125 VanDerWaalsContact C-N 3.34Å; F123-L126 HydrophobicContact CD2-CD1 3.87Å; F123-L126 HydrophobicContact CE2-CD1 4.28Å; F123-L126 VanDerWaalsContact O-CB 3.31Å; F123-L126 WeakPolarHBondContact O-CB 3.31Å; F123-L126 PolarHBondContact O-N 3.2Å; F123-F127 HydrophobicContact CD1-CE2 4.25Å; F123-F127 AromaticContact CE1-CE2 3.72Å; F123-F127 HydrophobicContact CE1-CE2 3.72Å; F123-F127 HydrophobicContact CZ-CE2 4.15Å; F123-I269 HydrophobicContact CE1-CG2 3.85Å; F123-I269 HydrophobicContact CZ-CG2 3.75Å; F123-L271 HydrophobicContact CB-CD2 3.69Å; F123-L271 HydrophobicContact CD1-CB 4.44Å; F123-L271 HydrophobicContact CD1-CD2 4.26Å; F123-L271 HydrophobicContact CD2-CD1 4.09Å; F123-L271 HydrophobicContact CE2-CD1 4.43Å; F123-L271 HydrophobicContact CG-CD1 4.17Å; F123-L271 HydrophobicContact CG-CD2 3.96Å; F123-V358 HydrophobicContact CE2-CG1 4.03Å; F123-V358 HydrophobicContact CZ-CG1 4.49Å; F123-V358 HydrophobicContact CZ-CG2 4.29Å; F123-L363 HydrophobicContact CB-CD2 4.5Å; F123-L363 HydrophobicContact CD2-CD2 3.6Å; F123-L363 HydrophobicContact CE2-CD2 4.35Å; F123-V374 HydrophobicContact CE2-CG1 4.4Å; F123-V374 HydrophobicContact CE2-CG2 4.11Å; F123-V374 HydrophobicContact CZ-CG1 3.91Å; F123-V374 HydrophobicContact CZ-CG2 4.04Å
124	G	97.8	Very high	96.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.7	-35.9	173.7	0	0	0	0	0	113	S120 S121 F122 L126 F127 N128	S120-G124 PolarHBondContact O-N 3.34Å; S121-G124 PolarHBondContact O-N 3.02Å; F122-G124 VanDerWaalsContact C-N 3.27Å; F122-G124 PolarHBondContact O-N 3.38Å; G124-L126 PolarHBondContact O-N 2.95Å; G124-F127 PolarHBondContact O-N 3.18Å; G124-N128 PolarHBondContact O-N 3.33Å
125	E	97.6	Very high	96.5	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.019	8%	0.079	C	C	.	.	H	α-helix	trans	-60.1	-32.6	174.5	-70.4	-56.3	141.9	0	0	112.1	S121 F122 F123 F127 N128 Q129 M215 F389 V406	S121-E125 PolarHBondContact O-N 3.19Å; F122-E125 WeakPolarHBondContact O-CB 3.08Å; F122-E125 PolarHBondContact O-N 3.05Å; F123-E125 VanDerWaalsContact C-N 3.34Å; E125-F127 PolarHBondContact O-N 2.93Å; E125-N128 PolarHBondContact O-N 2.86Å; E125-N128 VanDerWaalsContact O-N 3.16Å; E125-N128 PolarHBondContact OE1-ND2 2.95Å; E125-N128 PolarHBondContact OE2-ND2 2.8Å; E125-Q129 VanDerWaalsContact O-CG 3.25Å; E125-Q129 WeakPolarHBondContact O-CG 3.46Å; E125-Q129 PolarHBondContact O-N 2.86Å; E125-Q129 PolarHBondContact OE2-NE2 2.92Å; E125-M215 HydrophobicContact CB-SD 4.43Å; E125-M215 HydrophobicContact CG-CE 4.05Å; E125-M215 HydrophobicContact CG-SD 3.78Å; E125-F389 HydrophobicContact CB-CE1 4.03Å; E125-F389 HydrophobicContact CB-CZ 4.04Å; E125-V406 HydrophobicContact CG-CG1 4.39Å
126	L	98	Very high	96.7	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-57	-27.3	174.6	-55.8	178.1	0	0	0	112.4	F122 F123 G124 L363 L371 Y375 F389 A390	F122-L126 HydrophobicContact CE2-CD2 3.92Å; F122-L126 HydrophobicContact CZ-CD2 3.95Å; F122-L126 HydrophobicContact CZ-CG 4.49Å; F122-L126 PolarHBondContact O-N 2.01Å; F123-L126 HydrophobicContact CD2-CD1 3.87Å; F123-L126 HydrophobicContact CE2-CD1 4.28Å; F123-L126 VanDerWaalsContact O-CB 3.31Å; F123-L126 WeakPolarHBondContact O-CB 3.31Å; F123-L126 PolarHBondContact O-N 3.2Å; G124-L126 PolarHBondContact O-N 2.95Å; L126-L363 HydrophobicContact CD1-CD1 3.99Å; L126-L371 HydrophobicContact CB-CD1 4.11Å; L126-L371 HydrophobicContact CD1-CD1 4.21Å; L126-L371 HydrophobicContact CD2-CD1 4.33Å; L126-L371 HydrophobicContact CG-CD1 4.45Å; L126-Y375 PolarHBondContact O-OH 3.18Å; L126-F389 HydrophobicContact CD2-CD1 4.42Å; L126-F389 HydrophobicContact CD2-CE1 4.46Å; L126-A390 HydrophobicContact CD2-CB 3.82Å
127	F	98.4	Very high	96.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-94.3	-37.2	173.8	-65.7	-77.6	0	0	0	112.7	V112 F123 G124 E125 Q129 N130 V133 F135 V243 I269 V374 Y375 A378 L380	V112-F127 HydrophobicContact CG2-CD2 4.3Å; V112-F127 HydrophobicContact CG2-CE2 3.95Å; F123-F127 HydrophobicContact CD1-CE2 4.25Å; F123-F127 AromaticContact CE1-CE2 3.72Å; F123-F127 HydrophobicContact CE1-CE2 3.72Å; F123-F127 HydrophobicContact CZ-CE2 4.15Å; G124-F127 PolarHBondContact O-N 3.18Å; E125-F127 PolarHBondContact O-N 2.93Å; F127-Q129 PolarHBondContact O-N 3.29Å; F127-N130 WeakPolarHBondContact O-CB 3.29Å; F127-N130 PolarHBondContact O-N 3.49Å; F127-V133 HydrophobicContact CB-CG1 4.32Å; F127-F135 HydrophobicContact CB-CD2 3.99Å; F127-F135 HydrophobicContact CB-CE2 4.35Å; F127-V243 HydrophobicContact CB-CB 4.3Å; F127-V243 HydrophobicContact CB-CG1 4Å; F127-V243 HydrophobicContact CB-CG2 4.32Å; F127-V243 HydrophobicContact CD1-CG1 4.21Å; F127-V243 HydrophobicContact CD1-CG2 3.76Å; F127-V243 HydrophobicContact CD2-CG1 4.03Å; F127-V243 HydrophobicContact CE1-CG2 4.31Å; F127-V243 HydrophobicContact CG-CB 4.39Å; F127-V243 HydrophobicContact CG-CG1 3.81Å; F127-V243 HydrophobicContact CG-CG2 4.13Å; F127-I269 HydrophobicContact CE2-CD1 4.47Å; F127-I269 HydrophobicContact CZ-CD1 3.72Å; F127-V374 HydrophobicContact CE1-CG1 4.34Å; F127-V374 HydrophobicContact CE2-CG1 4.23Å; F127-V374 HydrophobicContact CZ-CG1 3.53Å; F127-Y375 HydrophobicContact CD1-CE1 4.4Å; F127-Y375 HydrophobicContact CE1-CE1 4.32Å; F127-A378 HydrophobicContact CE1-CB 4.32Å; F127-L380 HydrophobicContact CD1-CD1 4.01Å; F127-L380 HydrophobicContact CE1-CD1 4.06Å
128	N	97.8	Very high	97	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.021	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-26.8	178	-166.4	39.8	0	0	0	112.7	G124 E125 N130 F135 L195 K197	G124-N128 PolarHBondContact O-N 3.33Å; E125-N128 PolarHBondContact O-N 2.86Å; E125-N128 VanDerWaalsContact O-N 3.16Å; E125-N128 PolarHBondContact OE1-ND2 2.95Å; E125-N128 PolarHBondContact OE2-ND2 2.8Å; N128-N130 VanDerWaalsContact C-N 3.33Å; N128-F135 HydrophobicContact CB-CD1 3.62Å; N128-F135 HydrophobicContact CB-CE1 3.94Å; N128-F135 HydrophobicContact CB-CG 4.06Å; N128-F135 WeakPolarHBondContact OD1-CD1 3.45Å; N128-L195 PolarHBondContact ND2-O 3.42Å; N128-K197 WeakPolarHBondContact O-CB 3.37Å; N128-K197 PolarHBondContact OD1-N 2.99Å
129	Q	96.9	Very high	97.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.1	176.4	-61.6	-41.2	-51.9	0	0	114.4	E125 F127 V213 G214 F389	E125-Q129 VanDerWaalsContact O-CG 3.25Å; E125-Q129 WeakPolarHBondContact O-CG 3.46Å; E125-Q129 PolarHBondContact O-N 2.86Å; E125-Q129 PolarHBondContact OE2-NE2 2.92Å; F127-Q129 PolarHBondContact O-N 3.29Å; Q129-V213 HydrophobicContact CB-CG1 4.17Å; Q129-V213 HydrophobicContact CG-CG1 4.35Å; Q129-G214 PolarHBondContact OE1-O 3.31Å; Q129-F389 HydrophobicContact CG-CD1 4.01Å; Q129-F389 HydrophobicContact CG-CD2 4.42Å; Q129-F389 HydrophobicContact CG-CE1 3.64Å; Q129-F389 HydrophobicContact CG-CE2 4.09Å; Q129-F389 HydrophobicContact CG-CG 4.38Å; Q129-F389 HydrophobicContact CG-CZ 3.68Å
130	N	97.1	Very high	97.2	Very high	6 Å²	6	13.7 Å²	13.7	3%	0.032	7%	0.07	C	C	.	.			trans	-92.9	120.1	-179.6	-170.1	-47.7	0	0	0	110.8	F127 N128 E132 V133 Y375 I386	F127-N130 WeakPolarHBondContact O-CB 3.29Å; F127-N130 PolarHBondContact O-N 3.49Å; N128-N130 VanDerWaalsContact C-N 3.33Å; N130-E132 PolarHBondContact O-N 3.17Å; N130-E132 VanDerWaalsContact O-N 3.16Å; N130-E132 WeakPolarHBondContact OD1-CB 3.33Å; N130-E132 PolarHBondContact OD1-N 2.6Å; N130-V133 HydrophobicContact CB-CB 4.27Å; N130-V133 HydrophobicContact CB-CG2 3.88Å; N130-V133 PolarHBondContact O-N 2.85Å; N130-V133 VanDerWaalsContact O-N 3.15Å; N130-Y375 WeakPolarHBondContact ND2-CE2 3.31Å; N130-I386 HydrophobicContact CB-CD1 4.26Å
131	P	95.5	Very high	97.2	Very high	37 Å²	37	17 Å²	17	24%	0.24	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.6	-176.3	27.2	-35.3	0	0	0	114.9	K210 Y239	P131-K210 HydrophobicContact CB-CG 4.24Å; P131-Y239 WeakPolarHBondContact O-CE1 3.35Å
132	E	95.3	Very high	97.2	Very high	112 Å²	112	16.6 Å²	16.6	52%	0.523	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.2	177.6	-57.5	-172.3	105.8	0	0	113	N130 Y239	N130-E132 PolarHBondContact O-N 3.17Å; N130-E132 VanDerWaalsContact O-N 3.16Å; N130-E132 WeakPolarHBondContact OD1-CB 3.33Å; N130-E132 PolarHBondContact OD1-N 2.6Å; E132-Y239 WeakPolarHBondContact O-CD1 3.12Å
133	V	97.7	Very high	97.2	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.024	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124	-175.7	175.2	0	0	0	0	111.2	F127 N130 F135 Y239 T241 V243 L380	F127-V133 HydrophobicContact CB-CG1 4.32Å; N130-V133 HydrophobicContact CB-CB 4.27Å; N130-V133 HydrophobicContact CB-CG2 3.88Å; N130-V133 PolarHBondContact O-N 2.85Å; N130-V133 VanDerWaalsContact O-N 3.15Å; V133-F135 HydrophobicContact CG1-CB 4.22Å; V133-F135 PolarHBondContact O-N 3.17Å; V133-Y239 VanDerWaalsContact C-CD1 3.41Å; V133-T241 HydrophobicContact CG2-CG2 4.15Å; V133-V243 HydrophobicContact CG1-CB 3.69Å; V133-V243 HydrophobicContact CG1-CG2 3.41Å; V133-V243 VanDerWaalsContact CG1-CG2 3.41Å; V133-V243 HydrophobicContact CG2-CG2 4.42Å; V133-L380 HydrophobicContact CG2-CD1 3.68Å; V133-L380 HydrophobicContact CG2-CD2 4Å
134	F	98.1	Very high	97	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.009	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	102	162.7	-171	-94.5	0	0	0	108.9	L136 V198 L232 C236 Y239 T241 I242 V243	F134-L136 HydrophobicContact CD1-CG 4.28Å; F134-L136 HydrophobicContact CE1-CD1 4.09Å; F134-L136 HydrophobicContact CE1-CD2 3.74Å; F134-L136 HydrophobicContact CE1-CG 3.78Å; F134-L136 HydrophobicContact CZ-CD2 4.2Å; F134-V198 HydrophobicContact CD2-CG1 4.02Å; F134-V198 HydrophobicContact CD2-CG2 4.35Å; F134-V198 HydrophobicContact CE2-CG1 3.93Å; F134-L232 HydrophobicContact CE2-CD1 3.68Å; F134-L232 HydrophobicContact CE2-CG 4.39Å; F134-L232 HydrophobicContact CZ-CD1 3.75Å; F134-L232 HydrophobicContact CZ-CG 4.03Å; F134-C236 HydrophobicContact CD1-CB 4.15Å; F134-C236 HydrophobicContact CD2-CB 3.92Å; F134-C236 HydrophobicContact CE1-CB 3.87Å; F134-C236 HydrophobicContact CE2-CB 3.63Å; F134-C236 HydrophobicContact CG-CB 4.17Å; F134-C236 HydrophobicContact CZ-CB 3.6Å; F134-Y239 HydrophobicContact CB-CD1 3.97Å; F134-Y239 HydrophobicContact CB-CD2 3.97Å; F134-Y239 HydrophobicContact CB-CG 3.64Å; F134-Y239 HydrophobicContact CD2-CD2 4.01Å; F134-Y239 HydrophobicContact CD2-CE2 4.16Å; F134-Y239 HydrophobicContact CG-CD2 4.45Å; F134-Y239 VanDerWaalsContact N-CD1 3.26Å; F134-T241 PolarHBondContact N-O 2.86Å; F134-I242 HydrophobicContact CB-CG1 4.3Å; F134-I242 HydrophobicContact CD1-CG2 4.31Å; F134-I242 WeakPolarHBondContact O-CA 3.46Å; F134-V243 PolarHBondContact O-N 3.18Å
135	F	98.3	Very high	96.8	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.009	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.8	-175.5	-179.4	-108.8	0	0	0	111.7	F127 N128 V133 Y137 N196 V243 K245	F127-F135 HydrophobicContact CB-CD2 3.99Å; F127-F135 HydrophobicContact CB-CE2 4.35Å; N128-F135 HydrophobicContact CB-CD1 3.62Å; N128-F135 HydrophobicContact CB-CE1 3.94Å; N128-F135 HydrophobicContact CB-CG 4.06Å; N128-F135 WeakPolarHBondContact OD1-CD1 3.45Å; V133-F135 HydrophobicContact CG1-CB 4.22Å; V133-F135 PolarHBondContact O-N 3.17Å; F135-Y137 AromaticContact CE1-CD2 3.9Å; F135-Y137 HydrophobicContact CE1-CD2 3.9Å; F135-Y137 HydrophobicContact CE1-CG 4.43Å; F135-Y137 HydrophobicContact CZ-CD2 4.01Å; F135-N196 PolarHBondContact O-ND2 3.17Å; F135-V243 CarbonylContact C-O 2.73Å; F135-V243 WeakPolarHBondContact CA-O 3.21Å; F135-V243 HydrophobicContact CD2-CB 4.12Å; F135-V243 HydrophobicContact CD2-CG1 3.97Å; F135-V243 HydrophobicContact CE2-CG1 4.23Å; F135-K245 HydrophobicContact CE2-CB 3.77Å; F135-K245 HydrophobicContact CZ-CB 3.86Å
136	L	98.3	Very high	96.5	Very high	9 Å²	9	21.2 Å²	21.2	5%	0.047	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.6	168.3	-65.5	176.6	0	0	0	111.3	F134 P139 L166 V243 I244 K245	F134-L136 HydrophobicContact CD1-CG 4.28Å; F134-L136 HydrophobicContact CE1-CD1 4.09Å; F134-L136 HydrophobicContact CE1-CD2 3.74Å; F134-L136 HydrophobicContact CE1-CG 3.78Å; F134-L136 HydrophobicContact CZ-CD2 4.2Å; L136-P139 HydrophobicContact CB-CG 4.36Å; L136-L166 HydrophobicContact CD1-CB 4.31Å; L136-L166 HydrophobicContact CD1-CD1 4.2Å; L136-L166 HydrophobicContact CD1-CD2 4.19Å; L136-L166 HydrophobicContact CD1-CG 4.47Å; L136-V243 PolarHBondContact N-O 3.49Å; L136-I244 HydrophobicContact CB-CG1 4.21Å; L136-I244 HydrophobicContact CD1-CD1 4.15Å; L136-I244 HydrophobicContact CD1-CG1 4.24Å; L136-K245 PolarHBondContact O-N 3.01Å
137	Y	97.7	Very high	96.3	Very high	39 Å²	39	24.8 Å²	24.8	15%	0.153	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	103.3	-176.8	-168	-84.8	0	0	0	111.5	S121 F135 F191 K245	S121-Y137 WeakPolarHBondContact CB-OH 3.21Å; S121-Y137 PolarHBondContact OG-OH 2.94Å; F135-Y137 AromaticContact CE1-CD2 3.9Å; F135-Y137 HydrophobicContact CE1-CD2 3.9Å; F135-Y137 HydrophobicContact CE1-CG 4.43Å; F135-Y137 HydrophobicContact CZ-CD2 4.01Å; Y137-F191 AromaticContact CD1-CD1 3.92Å; Y137-F191 HydrophobicContact CD1-CD1 3.92Å; Y137-F191 AromaticContact CD1-CE1 3.83Å; Y137-F191 HydrophobicContact CD1-CE1 3.83Å; Y137-F191 HydrophobicContact CE1-CD1 4.31Å; Y137-F191 AromaticContact CE1-CE1 3.73Å; Y137-F191 HydrophobicContact CE1-CE1 3.73Å; Y137-K245 HydrophobicContact CD2-CD 4.28Å; Y137-K245 HydrophobicContact CE2-CD 4.17Å; Y137-K245 VanDerWaalsContact CZ-NZ 3.33Å; Y137-K245 PolarHBondContact OH-NZ 2.99Å; Y137-K245 VanDerWaalsContact OH-NZ 3.11Å
138	E	97.4	Very high	95.9	Very high	14 Å²	14	28.8 Å²	28.8	7%	0.065	13%	0.132	C	C	.	.			trans	48.7	52.9	174	-56.8	-177.4	-164.5	0	0	116.1	M140 W141 F191 K245 V247 R248	E138-M140 VanDerWaalsContact C-N 3.25Å; E138-M140 PolarHBondContact O-N 2.9Å; E138-M140 VanDerWaalsContact O-N 3.15Å; E138-W141 VanDerWaalsContact O-CB 3.24Å; E138-W141 WeakPolarHBondContact O-CB 3.25Å; E138-W141 PolarHBondContact O-N 3.17Å; E138-F191 HydrophobicContact CB-CD1 3.84Å; E138-F191 HydrophobicContact CB-CE1 3.96Å; E138-K245 WeakPolarHBondContact CA-O 3.31Å; E138-K245 HydrophobicContact CG-CD 3.65Å; E138-K245 PolarHBondContact N-O 3.32Å; E138-K245 IonicContact OE1-NZ 2.72Å; E138-K245 PolarHBondContact OE1-NZ 3.31Å; E138-V247 VanDerWaalsContact CD-CG2 3.48Å; E138-V247 HydrophobicContact CG-CG1 4.46Å; E138-V247 HydrophobicContact CG-CG2 4.12Å; E138-V247 WeakPolarHBondContact OE2-CG2 3.45Å; E138-R248 IonicContact OE2-CZ 3Å; E138-R248 IonicContact OE2-NH1 3.3Å; E138-R248 PolarHBondContact OE2-NH1 3.16Å; E138-R248 IonicContact OE2-NH2 3.32Å
139	P	97.1	Very high	95.5	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.032	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.1	-173.5	21.8	-30.4	0	0	0	114.2	L136 W141 H142 M162 L166 F174 I244	L136-P139 HydrophobicContact CB-CG 4.36Å; P139-W141 PolarHBondContact O-N 2.93Å; P139-H142 PolarHBondContact O-CD2 2.88Å; P139-H142 PolarHBondContact O-N 3.27Å; P139-M162 HydrophobicContact CB-SD 4.37Å; P139-L166 HydrophobicContact CB-CD1 3.58Å; P139-L166 HydrophobicContact CG-CD1 3.45Å; P139-L166 VanDerWaalsContact CG-CD1 3.45Å; P139-F174 HydrophobicContact CB-CE1 3.87Å; P139-F174 HydrophobicContact CB-CZ 3.64Å; P139-I244 HydrophobicContact CG-CG2 3.65Å
140	M	96.9	Very high	95.1	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-3.4	175.8	-64.3	74.9	80.1	0	0	113.8	Y111 E138 H142 I143 W144 A159 M162 R248 I249	Y111-M140 HydrophobicContact CE2-CE 3.71Å; Y111-M140 VanDerWaalsContact OH-CE 3.27Å; Y111-M140 WeakPolarHBondContact OH-CE 3.2Å; E138-M140 VanDerWaalsContact C-N 3.25Å; E138-M140 PolarHBondContact O-N 2.9Å; E138-M140 VanDerWaalsContact O-N 3.15Å; M140-H142 PolarHBondContact O-N 3.16Å; M140-I143 HydrophobicContact CB-CD1 4.33Å; M140-I143 HydrophobicContact CG-CD1 4.12Å; M140-I143 PolarHBondContact O-N 2.73Å; M140-W144 PolarHBondContact O-N 2.9Å; M140-A159 HydrophobicContact CB-CB 4.46Å; M140-A159 HydrophobicContact CG-CB 3.83Å; M140-M162 HydrophobicContact CG-SD 4.16Å; M140-M162 HydrophobicContact SD-SD 4.49Å; M140-R248 HydrophobicContact CB-CB 4.08Å; M140-R248 WeakPolarHBondContact O-CD 3.22Å; M140-I249 HydrophobicContact CE-CG1 4.19Å
141	W	96.1	Very high	94.9	Very high	73 Å²	73	34.5 Å²	34.5	28%	0.277	17%	0.171	S	C	.	.	H	α-helix	trans	-52.3	-41.1	167.2	-178.5	96	0	0	0	111.6	E138 P139 I143 W144 Q145 F191 R248	E138-W141 VanDerWaalsContact O-CB 3.24Å; E138-W141 WeakPolarHBondContact O-CB 3.25Å; E138-W141 PolarHBondContact O-N 3.17Å; P139-W141 PolarHBondContact O-N 2.93Å; W141-I143 PolarHBondContact O-N 3.08Å; W141-W144 PolarHBondContact O-N 2.95Å; W141-Q145 HydrophobicContact CD2-CG 3.6Å; W141-Q145 HydrophobicContact CE3-CG 3.81Å; W141-Q145 HydrophobicContact CG-CG 4.36Å; W141-Q145 HydrophobicContact CH2-CB 4.49Å; W141-Q145 HydrophobicContact CH2-CG 3.62Å; W141-Q145 HydrophobicContact CZ2-CG 3.39Å; W141-Q145 HydrophobicContact CZ3-CB 4.45Å; W141-Q145 HydrophobicContact CZ3-CG 3.81Å; W141-Q145 WeakPolarHBondContact O-CG 3.39Å; W141-Q145 PolarHBondContact O-N 2.91Å; W141-F191 HydrophobicContact CB-CB 3.98Å; W141-F191 HydrophobicContact CB-CD1 3.84Å; W141-F191 HydrophobicContact CB-CD2 4.2Å; W141-F191 HydrophobicContact CB-CE1 4.36Å; W141-F191 HydrophobicContact CB-CG 3.74Å; W141-F191 AromaticContact CD1-CD2 3.78Å; W141-F191 AromaticContact CD1-CE2 3.57Å; W141-F191 AromaticContact CD1-CZ 3.72Å; W141-F191 HydrophobicContact CD2-CB 4.25Å; W141-F191 AromaticContact CD2-CD2 3.49Å; W141-F191 HydrophobicContact CD2-CD2 3.49Å; W141-F191 VanDerWaalsContact CD2-CD2 3.49Å; W141-F191 AromaticContact CD2-CE2 3.98Å; W141-F191 HydrophobicContact CD2-CE2 3.98Å; W141-F191 AromaticContact CD2-CG 3.91Å; W141-F191 HydrophobicContact CD2-CG 3.91Å; W141-F191 AromaticContact CE2-CD2 3.68Å; W141-F191 AromaticContact CE2-CE2 3.76Å; W141-F191 HydrophobicContact CE3-CB 4.13Å; W141-F191 AromaticContact CE3-CD2 3.94Å; W141-F191 HydrophobicContact CE3-CD2 3.94Å; W141-F191 HydrophobicContact CE3-CG 4.26Å; W141-F191 HydrophobicContact CG-CB 4.21Å; W141-F191 HydrophobicContact CG-CD1 4.03Å; W141-F191 AromaticContact CG-CD2 3.6Å; W141-F191 HydrophobicContact CG-CD2 3.6Å; W141-F191 HydrophobicContact CG-CE1 4.28Å; W141-F191 AromaticContact CG-CE2 3.91Å; W141-F191 HydrophobicContact CG-CE2 3.91Å; W141-F191 AromaticContact CG-CG 3.67Å; W141-F191 HydrophobicContact CG-CG 3.67Å; W141-F191 HydrophobicContact CG-CZ 4.23Å; W141-F191 HydrophobicContact CZ2-CD2 4.27Å; W141-F191 HydrophobicContact CZ2-CE2 4.38Å; W141-F191 HydrophobicContact CZ3-CD2 4.5Å; W141-F191 AromaticContact NE1-CD2 3.9Å; W141-F191 AromaticContact NE1-CE2 3.56Å; W141-R248 VanDerWaalsContact CD1-NH2 3.29Å
142	H	95.4	Very high	94.8	Very high	18 Å²	18	32.8 Å²	32.8	8%	0.083	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-42.1	-179.1	-69.6	-65.7	0	0	0	112.7	P139 M140 W144 Q145 K146 F174 F185 G189 F191	P139-H142 PolarHBondContact O-CD2 2.88Å; P139-H142 PolarHBondContact O-N 3.27Å; M140-H142 PolarHBondContact O-N 3.16Å; H142-W144 PolarHBondContact O-N 3.13Å; H142-Q145 PolarHBondContact O-N 2.82Å; H142-K146 VanDerWaalsContact O-CB 3.23Å; H142-K146 WeakPolarHBondContact O-CB 3.1Å; H142-K146 PolarHBondContact O-N 3.19Å; H142-F174 HydrophobicContact CB-CD1 4.45Å; H142-F174 AromaticContact CD2-CD1 3.65Å; H142-F174 AromaticContact CD2-CE1 3.61Å; H142-F185 AromaticContact CE1-CE2 3.84Å; H142-F185 AromaticContact CE1-CZ 3.73Å; H142-F185 AromaticContact NE2-CZ 3.65Å; H142-G189 PolarHBondContact CE1-O 2.82Å; H142-G189 PolarHBondContact NE2-O 3.46Å; H142-F191 PolarHBondContact NE2-N 3.25Å
143	I	95.5	Very high	94.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-50.3	174.8	-56.4	-179.7	0	0	0	110.2	M140 W141 Q145 K146 L147 A158 A159 M162 Y177	M140-I143 HydrophobicContact CB-CD1 4.33Å; M140-I143 HydrophobicContact CG-CD1 4.12Å; M140-I143 PolarHBondContact O-N 2.73Å; W141-I143 PolarHBondContact O-N 3.08Å; I143-Q145 VanDerWaalsContact C-N 3.33Å; I143-Q145 PolarHBondContact O-N 3.14Å; I143-K146 PolarHBondContact O-N 3Å; I143-L147 HydrophobicContact CG2-CD1 3.79Å; I143-L147 HydrophobicContact CG2-CG 4.43Å; I143-L147 WeakPolarHBondContact O-CB 3.37Å; I143-L147 PolarHBondContact O-N 3.33Å; I143-A158 HydrophobicContact CD1-CB 4.35Å; I143-A158 WeakPolarHBondContact CD1-O 3.35Å; I143-A158 HydrophobicContact CG2-CB 4.12Å; I143-A159 HydrophobicContact CD1-CB 4.36Å; I143-M162 HydrophobicContact CD1-CB 3.84Å; I143-M162 HydrophobicContact CD1-CE 3.81Å; I143-M162 HydrophobicContact CD1-CG 4.4Å; I143-M162 HydrophobicContact CD1-SD 3.74Å; I143-M162 HydrophobicContact CG1-CE 3.59Å; I143-M162 HydrophobicContact CG1-SD 3.98Å; I143-Y177 HydrophobicContact CB-CE1 4.28Å; I143-Y177 HydrophobicContact CD1-CE2 4.32Å; I143-Y177 HydrophobicContact CG1-CD1 4.23Å; I143-Y177 HydrophobicContact CG1-CD2 4.13Å; I143-Y177 HydrophobicContact CG1-CE1 3.89Å; I143-Y177 HydrophobicContact CG1-CE2 3.79Å; I143-Y177 HydrophobicContact CG1-CG 4.34Å; I143-Y177 HydrophobicContact CG2-CE1 4.18Å
144	W	94.4	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-33.3	-176.2	-83.3	54.5	0	0	0	113.2	W116 M140 W141 H142 A152 L155 R248 E292 Q295 V296	W116-W144 HydrophobicContact CH2-CE3 4.39Å; W116-W144 AromaticContact CH2-CH2 3.36Å; W116-W144 HydrophobicContact CH2-CH2 3.36Å; W116-W144 AromaticContact CH2-CZ2 3.88Å; W116-W144 HydrophobicContact CH2-CZ2 3.88Å; W116-W144 AromaticContact CH2-CZ3 3.68Å; W116-W144 HydrophobicContact CH2-CZ3 3.68Å; W116-W144 HydrophobicContact CZ2-CE3 4.17Å; W116-W144 AromaticContact CZ2-CH2 3.96Å; W116-W144 HydrophobicContact CZ2-CH2 3.96Å; W116-W144 HydrophobicContact CZ2-CZ2 4.42Å; W116-W144 AromaticContact CZ2-CZ3 3.83Å; W116-W144 HydrophobicContact CZ2-CZ3 3.83Å; W116-W144 HydrophobicContact CZ3-CH2 4.37Å; M140-W144 PolarHBondContact O-N 2.9Å; W141-W144 PolarHBondContact O-N 2.95Å; H142-W144 PolarHBondContact O-N 3.13Å; W144-A152 HydrophobicContact CH2-CB 3.28Å; W144-A152 HydrophobicContact CZ2-CB 3.74Å; W144-A152 HydrophobicContact CZ3-CB 4.17Å; W144-L155 HydrophobicContact CD2-CD1 4Å; W144-L155 HydrophobicContact CG-CD1 3.89Å; W144-R248 VanDerWaalsContact CD1-CD 3.49Å; W144-R248 HydrophobicContact CD2-CG 3.83Å; W144-R248 HydrophobicContact CE3-CG 4.5Å; W144-R248 VanDerWaalsContact CG-CD 3.49Å; W144-R248 HydrophobicContact CG-CG 4.02Å; W144-R248 HydrophobicContact CZ2-CB 4.19Å; W144-R248 HydrophobicContact CZ2-CG 4.06Å; W144-E292 HydrophobicContact CE3-CG 4.21Å; W144-E292 HydrophobicContact CZ3-CB 4.43Å; W144-E292 HydrophobicContact CZ3-CG 4.41Å; W144-Q295 HydrophobicContact CE3-CB 4.3Å; W144-Q295 HydrophobicContact CZ3-CB 3.9Å; W144-Q295 PolarHBondContact O-NE2 2.96Å; W144-V296 HydrophobicContact CH2-CG2 3.95Å; W144-V296 HydrophobicContact CZ3-CG2 4.16Å
145	Q	92.9	Very high	94.4	Very high	40 Å²	40	33.3 Å²	33.3	19%	0.187	17%	0.174	C	C	.	.	H	α-helix	trans	-74.4	-42.4	174.1	-65.1	-46.3	-50.8	0	0	111.9	W141 H142 I143 R291 E292	W141-Q145 HydrophobicContact CD2-CG 3.6Å; W141-Q145 HydrophobicContact CE3-CG 3.81Å; W141-Q145 HydrophobicContact CG-CG 4.36Å; W141-Q145 HydrophobicContact CH2-CB 4.49Å; W141-Q145 HydrophobicContact CH2-CG 3.62Å; W141-Q145 HydrophobicContact CZ2-CG 3.39Å; W141-Q145 HydrophobicContact CZ3-CB 4.45Å; W141-Q145 HydrophobicContact CZ3-CG 3.81Å; W141-Q145 WeakPolarHBondContact O-CG 3.39Å; W141-Q145 PolarHBondContact O-N 2.91Å; H142-Q145 PolarHBondContact O-N 2.82Å; I143-Q145 VanDerWaalsContact C-N 3.33Å; I143-Q145 PolarHBondContact O-N 3.14Å; Q145-R291 VanDerWaalsContact OE1-NH1 3.14Å; Q145-E292 PolarHBondContact NE2-OE1 3.21Å
146	K	92.8	Very high	94.4	Very high	78 Å²	78	34 Å²	34	34%	0.339	18%	0.177	S	C	.	.	H	α-helix	trans	-69.9	-40.2	-175.7	-176.9	66.2	-178.4	-164.2	0	112.6	H142 I143 Y177 N178	H142-K146 VanDerWaalsContact O-CB 3.23Å; H142-K146 WeakPolarHBondContact O-CB 3.1Å; H142-K146 PolarHBondContact O-N 3.19Å; I143-K146 PolarHBondContact O-N 3Å; K146-Y177 HydrophobicContact CB-CD1 4.07Å; K146-Y177 HydrophobicContact CG-CD1 4.13Å; K146-N178 PolarHBondContact NZ-O 2.99Å
147	L	92.3	Very high	94.3	Very high	76 Å²	76	34.9 Å²	34.9	40%	0.398	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	12.5	-174.3	-57.8	-177	0	0	0	113.3	I143 G150 L155 Y177	I143-L147 HydrophobicContact CG2-CD1 3.79Å; I143-L147 HydrophobicContact CG2-CG 4.43Å; I143-L147 WeakPolarHBondContact O-CB 3.37Å; I143-L147 PolarHBondContact O-N 3.33Å; L147-G150 WeakPolarHBondContact O-CA 3.1Å; L147-G150 PolarHBondContact O-N 3.3Å; L147-L155 HydrophobicContact CB-CD2 3.77Å; L147-L155 HydrophobicContact CD1-CD2 3.75Å; L147-L155 HydrophobicContact CG-CD2 4.42Å; L147-Y177 HydrophobicContact CD1-CE1 4.24Å
148	Y	90	Very high	94.2	Very high	84 Å²	84	34.2 Å²	34.2	33%	0.329	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	135.9	170.9	-178.9	-95.8	0	0	0	110.4	R291 Q295	Y148-R291 HydrophobicContact CD2-CB 4.46Å; Y148-R291 HydrophobicContact CE2-CB 4.29Å; Y148-R291 HydrophobicContact CE2-CG 4.33Å; Y148-Q295 HydrophobicContact CD2-CG 3.74Å; Y148-Q295 VanDerWaalsContact CD2-NE2 3.35Å; Y148-Q295 HydrophobicContact CE2-CG 4.09Å
149	P	89.5	Confident	94.2	Very high	64 Å²	64	33.5 Å²	33.5	42%	0.416	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	cis	-100.3	37	12.2	40.8	-37.4	0	0	0	115.3	R298	P149-R298 PolarHBondContact O-NE 3.37Å
150	G	89.3	Confident	94.3	Very high	21 Å²	21	36.9 Å²	36.9	22%	0.216	20%	0.2	C	C	.	.			trans	-51.3	145.3	171.2	0	0	0	0	0	112.3	L147 Q295	L147-G150 WeakPolarHBondContact O-CA 3.1Å; L147-G150 PolarHBondContact O-N 3.3Å; G150-Q295 VanDerWaalsContact O-CG 3.23Å; G150-Q295 WeakPolarHBondContact O-CG 3.43Å; G150-Q295 PolarHBondContact O-OE1 3.45Å
151	D	92.5	Very high	94.3	Very high	46 Å²	46	40.8 Å²	40.8	25%	0.246	22%	0.221	C	C	.	.			trans	-79.7	153.7	179.3	80.4	93.8	0	0	0	111	V153 S154 L155 R298 S299	D151-V153 PolarHBondContact O-N 3.43Å; D151-V153 VanDerWaalsContact O-N 3.09Å; D151-V153 WeakPolarHBondContact OD1-CB 3.26Å; D151-V153 PolarHBondContact OD1-N 3.17Å; D151-V153 VanDerWaalsContact OD1-N 3.07Å; D151-S154 PolarHBondContact O-N 2.97Å; D151-S154 PolarHBondContact O-OG 3.37Å; D151-S154 PolarHBondContact OD1-N 2.96Å; D151-S154 VanDerWaalsContact OD2-CB 3.23Å; D151-S154 WeakPolarHBondContact OD2-CB 3.45Å; D151-S154 PolarHBondContact OD2-OG 2.85Å; D151-L155 WeakPolarHBondContact O-CG 3.05Å; D151-L155 PolarHBondContact O-N 2.96Å; D151-R298 HydrophobicContact CB-CB 3.93Å; D151-S299 WeakPolarHBondContact CB-OG 3.34Å; D151-S299 PolarHBondContact OD1-OG 2.87Å
152	A	93.8	Very high	94.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.8	-171.8	0	0	0	0	0	114.9	W144 Q156 L250 Q295 V296 S299	W144-A152 HydrophobicContact CH2-CB 3.28Å; W144-A152 HydrophobicContact CZ2-CB 3.74Å; W144-A152 HydrophobicContact CZ3-CB 4.17Å; A152-Q156 PolarHBondContact O-NE2 3.05Å; A152-L250 HydrophobicContact CB-CD1 3.83Å; A152-Q295 PolarHBondContact N-O 3.31Å; A152-Q295 VanDerWaalsContact N-O 3.11Å; A152-V296 HydrophobicContact CB-CB 4.48Å; A152-V296 HydrophobicContact CB-CG2 3.98Å; A152-S299 PolarHBondContact N-OG 3.21Å
153	V	93	Very high	94.5	Very high	45 Å²	45	36.5 Å²	36.5	27%	0.273	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-37.2	-175.5	174.9	0	0	0	0	111.2	D151 L155 Q156 L250 S299	D151-V153 PolarHBondContact O-N 3.43Å; D151-V153 VanDerWaalsContact O-N 3.09Å; D151-V153 WeakPolarHBondContact OD1-CB 3.26Å; D151-V153 PolarHBondContact OD1-N 3.17Å; D151-V153 VanDerWaalsContact OD1-N 3.07Å; V153-L155 PolarHBondContact O-N 2.92Å; V153-Q156 WeakPolarHBondContact O-CB 3Å; V153-Q156 VanDerWaalsContact O-CG 3.24Å; V153-Q156 WeakPolarHBondContact O-CG 2.99Å; V153-Q156 PolarHBondContact O-N 2.04Å; V153-L250 HydrophobicContact CG2-CD1 4.45Å; V153-S299 PolarHBondContact N-OG 2.97Å
154	S	94.5	Very high	94.6	Very high	76 Å²	76	38 Å²	38	53%	0.531	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.1	175.4	56.5	0	0	0	0	113	D151 Q156	D151-S154 PolarHBondContact O-N 2.97Å; D151-S154 PolarHBondContact O-OG 3.37Å; D151-S154 PolarHBondContact OD1-N 2.96Å; D151-S154 VanDerWaalsContact OD2-CB 3.23Å; D151-S154 WeakPolarHBondContact OD2-CB 3.45Å; D151-S154 PolarHBondContact OD2-OG 2.85Å; S154-Q156 VanDerWaalsContact C-N 3.3Å; S154-Q156 PolarHBondContact O-N 2.98Å
155	L	95.7	Very high	94.7	Very high	9 Å²	9	39.4 Å²	39.4	5%	0.047	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.7	179.3	-59.4	-177	0	0	0	114.8	W144 L147 D151 V153 G157 A158 A159	W144-L155 HydrophobicContact CD2-CD1 4Å; W144-L155 HydrophobicContact CG-CD1 3.89Å; L147-L155 HydrophobicContact CB-CD2 3.77Å; L147-L155 HydrophobicContact CD1-CD2 3.75Å; L147-L155 HydrophobicContact CG-CD2 4.42Å; D151-L155 WeakPolarHBondContact O-CG 3.05Å; D151-L155 PolarHBondContact O-N 2.96Å; V153-L155 PolarHBondContact O-N 2.92Å; L155-G157 VanDerWaalsContact C-N 3.35Å; L155-G157 PolarHBondContact O-N 3.19Å; L155-A158 PolarHBondContact O-N 3.44Å; L155-A159 WeakPolarHBondContact O-CB 3.35Å; L155-A159 PolarHBondContact O-N 2.87Å
156	Q	96.6	Very high	95	Very high	15 Å²	15	37.5 Å²	37.5	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-35.7	-172.6	-63.7	-58.9	-69.4	0	0	113.2	A152 V153 S154 A159 R160 R248 I249 V254	A152-Q156 PolarHBondContact O-NE2 3.05Å; V153-Q156 WeakPolarHBondContact O-CB 3Å; V153-Q156 VanDerWaalsContact O-CG 3.24Å; V153-Q156 WeakPolarHBondContact O-CG 2.99Å; V153-Q156 PolarHBondContact O-N 2.04Å; S154-Q156 VanDerWaalsContact C-N 3.3Å; S154-Q156 PolarHBondContact O-N 2.98Å; Q156-A159 PolarHBondContact O-N 2.85Å; Q156-R160 WeakPolarHBondContact O-CB 3.34Å; Q156-R160 PolarHBondContact O-N 3.23Å; Q156-R248 PolarHBondContact NE2-O 3.27Å; Q156-I249 VanDerWaalsContact OE1-CA 3.28Å; Q156-V254 HydrophobicContact CB-CG1 4.13Å; Q156-V254 HydrophobicContact CB-CG2 3.93Å; Q156-V254 HydrophobicContact CG-CG2 4.26Å
157	G	96.5	Very high	95.2	Very high	28 Å²	28	34 Å²	34	29%	0.289	20%	0.2	S	C	.	.	H	α-helix	trans	-63.1	-52.5	177.1	0	0	0	0	0	112.2	L155 A159 R160 D161	L155-G157 VanDerWaalsContact C-N 3.35Å; L155-G157 PolarHBondContact O-N 3.19Å; G157-A159 VanDerWaalsContact C-N 3.26Å; G157-A159 PolarHBondContact O-N 2.93Å; G157-R160 WeakPolarHBondContact O-CB 3.48Å; G157-R160 PolarHBondContact O-N 3.41Å; G157-R160 VanDerWaalsContact O-N 3.12Å; G157-D161 VanDerWaalsContact O-CG 3.25Å; G157-D161 PolarHBondContact O-N 2.97Å
158	A	96.9	Very high	95.3	Very high	25 Å²	25	35 Å²	35	21%	0.207	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-37.7	176.4	0	0	0	0	0	112.4	I143 L155 D161 M162	I143-A158 HydrophobicContact CD1-CB 4.35Å; I143-A158 WeakPolarHBondContact CD1-O 3.35Å; I143-A158 HydrophobicContact CG2-CB 4.12Å; L155-A158 PolarHBondContact O-N 3.44Å; A158-D161 PolarHBondContact O-N 3Å; A158-M162 WeakPolarHBondContact O-CB 3.46Å; A158-M162 PolarHBondContact O-N 3.18Å
159	A	97.4	Very high	95.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-39.9	176.6	0	0	0	0	0	112.6	M140 I143 L155 Q156 G157 L163 I249	M140-A159 HydrophobicContact CB-CB 4.46Å; M140-A159 HydrophobicContact CG-CB 3.83Å; I143-A159 HydrophobicContact CD1-CB 4.36Å; L155-A159 WeakPolarHBondContact O-CB 3.35Å; L155-A159 PolarHBondContact O-N 2.87Å; Q156-A159 PolarHBondContact O-N 2.85Å; G157-A159 VanDerWaalsContact C-N 3.26Å; G157-A159 PolarHBondContact O-N 2.93Å; A159-L163 WeakPolarHBondContact O-CB 3.38Å; A159-L163 PolarHBondContact O-N 2.82Å; A159-L163 VanDerWaalsContact O-N 3.08Å; A159-I249 HydrophobicContact CB-CD1 3.45Å; A159-I249 VanDerWaalsContact CB-CD1 3.45Å; A159-I249 HydrophobicContact CB-CG1 4.45Å
160	R	97.9	Very high	96	Very high	75 Å²	75	31 Å²	31	28%	0.283	18%	0.18	S	C	.	.	H	α-helix	trans	-63.9	-45	173.4	-180	-160.7	64	-150.5	-6	111.4	Q156 G157 L163 S164 V254 L258	Q156-R160 WeakPolarHBondContact O-CB 3.34Å; Q156-R160 PolarHBondContact O-N 3.23Å; G157-R160 WeakPolarHBondContact O-CB 3.48Å; G157-R160 PolarHBondContact O-N 3.41Å; G157-R160 VanDerWaalsContact O-N 3.12Å; R160-L163 WeakPolarHBondContact O-CB 3.32Å; R160-L163 PolarHBondContact O-N 2.7Å; R160-L163 VanDerWaalsContact O-N 3.15Å; R160-S164 PolarHBondContact O-N 2.94Å; R160-V254 HydrophobicContact CB-CG1 3.88Å; R160-V254 VanDerWaalsContact CD-O 3.23Å; R160-V254 WeakPolarHBondContact CD-O 3.24Å; R160-V254 HydrophobicContact CG-CG1 4.44Å; R160-V254 WeakPolarHBondContact CG-O 3.42Å; R160-L258 HydrophobicContact CG-CD1 3.41Å; R160-L258 VanDerWaalsContact CG-CD1 3.41Å; R160-L258 HydrophobicContact CG-CD2 4.48Å
161	D	97.3	Very high	96.4	Very high	83 Å²	83	30.1 Å²	30.1	44%	0.444	17%	0.17	S	C	.	.	H	α-helix	trans	-68	-41.5	-176.5	-60.1	-14.6	0	0	0	110.8	G157 A158 L163 S164 S165	G157-D161 VanDerWaalsContact O-CG 3.25Å; G157-D161 PolarHBondContact O-N 2.97Å; A158-D161 PolarHBondContact O-N 3Å; D161-L163 VanDerWaalsContact C-N 3.31Å; D161-L163 PolarHBondContact O-N 2.84Å; D161-S164 WeakPolarHBondContact O-CB 3.43Å; D161-S164 PolarHBondContact O-N 3.38Å; D161-S165 PolarHBondContact O-N 3.48Å; D161-S165 VanDerWaalsContact O-N 3.15Å
162	M	97.9	Very high	96.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-57.4	-44.5	169.3	174.3	177	-76.7	0	0	111.6	P139 M140 I143 A158 S164 S165 L166 V173 F174 Y177	P139-M162 HydrophobicContact CB-SD 4.37Å; M140-M162 HydrophobicContact CG-SD 4.16Å; M140-M162 HydrophobicContact SD-SD 4.49Å; I143-M162 HydrophobicContact CD1-CB 3.84Å; I143-M162 HydrophobicContact CD1-CE 3.81Å; I143-M162 HydrophobicContact CD1-CG 4.4Å; I143-M162 HydrophobicContact CD1-SD 3.74Å; I143-M162 HydrophobicContact CG1-CE 3.59Å; I143-M162 HydrophobicContact CG1-SD 3.98Å; A158-M162 WeakPolarHBondContact O-CB 3.46Å; A158-M162 PolarHBondContact O-N 3.18Å; M162-S164 VanDerWaalsContact C-N 3.27Å; M162-S164 PolarHBondContact O-N 2.96Å; M162-S165 PolarHBondContact O-N 3.31Å; M162-L166 HydrophobicContact CG-CD1 3.71Å; M162-L166 HydrophobicContact CG-CG 4.07Å; M162-L166 VanDerWaalsContact O-CG 3.23Å; M162-L166 WeakPolarHBondContact O-CG 3.4Å; M162-L166 PolarHBondContact O-N 3.3Å; M162-L166 HydrophobicContact SD-CD1 4.31Å; M162-V173 HydrophobicContact CB-CG2 4.23Å; M162-V173 HydrophobicContact CE-CG1 4.47Å; M162-V173 HydrophobicContact CE-CG2 4.39Å; M162-V173 HydrophobicContact CG-CG1 4.11Å; M162-V173 HydrophobicContact CG-CG2 4.33Å; M162-F174 HydrophobicContact CE-CD1 4.05Å; M162-F174 HydrophobicContact CE-CE1 4.02Å; M162-F174 HydrophobicContact SD-CE1 4.04Å; M162-Y177 HydrophobicContact CE-CD2 3.39Å; M162-Y177 HydrophobicContact CE-CE2 3.33Å; M162-Y177 HydrophobicContact CE-CG 4.49Å
163	L	98.1	Very high	96.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-38.5	179.1	-170.3	67.7	0	0	0	112	Y111 A159 R160 D161 L166 Y167 I244 L255 L258	Y111-L163 HydrophobicContact CD2-CD1 3.86Å; Y111-L163 HydrophobicContact CD2-CD2 3.91Å; Y111-L163 HydrophobicContact CE2-CD1 4.06Å; Y111-L163 HydrophobicContact CE2-CD2 4.2Å; Y111-L163 HydrophobicContact CG-CD2 4.31Å; A159-L163 WeakPolarHBondContact O-CB 3.38Å; A159-L163 PolarHBondContact O-N 2.82Å; A159-L163 VanDerWaalsContact O-N 3.08Å; R160-L163 WeakPolarHBondContact O-CB 3.32Å; R160-L163 PolarHBondContact O-N 2.7Å; R160-L163 VanDerWaalsContact O-N 3.15Å; D161-L163 VanDerWaalsContact C-N 3.31Å; D161-L163 PolarHBondContact O-N 2.84Å; L163-L166 PolarHBondContact O-N 3.36Å; L163-Y167 HydrophobicContact CD1-CD2 4.22Å; L163-Y167 HydrophobicContact CD1-CE2 3.58Å; L163-Y167 HydrophobicContact CD2-CE2 3.8Å; L163-Y167 HydrophobicContact CG-CD2 3.87Å; L163-Y167 HydrophobicContact CG-CE2 3.39Å; L163-Y167 VanDerWaalsContact O-CD2 3.26Å; L163-Y167 WeakPolarHBondContact O-CD2 3.3Å; L163-Y167 PolarHBondContact O-N 2.83Å; L163-Y167 VanDerWaalsContact O-N 3.08Å; L163-I244 HydrophobicContact CD1-CB 4.04Å; L163-I244 HydrophobicContact CD1-CD1 3.6Å; L163-I244 HydrophobicContact CD1-CG1 4.37Å; L163-I244 HydrophobicContact CD1-CG2 3.87Å; L163-L255 HydrophobicContact CD2-CD2 3.56Å; L163-L258 HydrophobicContact CB-CD2 4.01Å; L163-L258 HydrophobicContact CD2-CD2 3.84Å; L163-L258 HydrophobicContact CG-CD2 3.91Å
164	S	97.1	Very high	96.6	Very high	32 Å²	32	28.6 Å²	28.6	22%	0.224	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-43.6	176.1	-169.6	0	0	0	0	112.6	R160 D161 M162 R168	R160-S164 PolarHBondContact O-N 2.94Å; D161-S164 WeakPolarHBondContact O-CB 3.43Å; D161-S164 PolarHBondContact O-N 3.38Å; M162-S164 VanDerWaalsContact C-N 3.27Å; M162-S164 PolarHBondContact O-N 2.96Å; S164-R168 PolarHBondContact O-NH1 3.07Å; S164-R168 VanDerWaalsContact O-NH1 3.08Å; S164-R168 PolarHBondContact OG-NH1 3.35Å; S164-R168 VanDerWaalsContact OG-NH1 3.12Å
165	S	97.4	Very high	96.4	Very high	29 Å²	29	30.9 Å²	30.9	20%	0.203	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-47.7	174.1	-67.1	0	0	0	0	111.7	D161 M162 Y167 R168 C169 D170	D161-S165 PolarHBondContact O-N 3.48Å; D161-S165 VanDerWaalsContact O-N 3.15Å; M162-S165 PolarHBondContact O-N 3.31Å; S165-Y167 VanDerWaalsContact C-N 3.33Å; S165-Y167 PolarHBondContact O-N 3.15Å; S165-R168 CarbonylContact O-C 3.54Å; S165-R168 WeakPolarHBondContact O-CA 3.37Å; S165-R168 WeakPolarHBondContact O-CB 3.41Å; S165-R168 PolarHBondContact O-N 3.22Å; S165-C169 PolarHBondContact O-N 3.05Å; S165-D170 CarbonylContact C-O 3.59Å; S165-D170 PolarHBondContact O-N 3.28Å
166	L	97.9	Very high	96.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-36.8	-176.3	-65.7	176.6	0	0	0	112.9	L136 P139 M162 L163 R168 C169 L171 V173 F174 I244	L136-L166 HydrophobicContact CD1-CB 4.31Å; L136-L166 HydrophobicContact CD1-CD1 4.2Å; L136-L166 HydrophobicContact CD1-CD2 4.19Å; L136-L166 HydrophobicContact CD1-CG 4.47Å; P139-L166 HydrophobicContact CB-CD1 3.58Å; P139-L166 HydrophobicContact CG-CD1 3.45Å; P139-L166 VanDerWaalsContact CG-CD1 3.45Å; M162-L166 HydrophobicContact CG-CD1 3.71Å; M162-L166 HydrophobicContact CG-CG 4.07Å; M162-L166 VanDerWaalsContact O-CG 3.23Å; M162-L166 WeakPolarHBondContact O-CG 3.4Å; M162-L166 PolarHBondContact O-N 3.3Å; M162-L166 HydrophobicContact SD-CD1 4.31Å; L163-L166 PolarHBondContact O-N 3.36Å; L166-R168 PolarHBondContact O-N 2.97Å; L166-C169 PolarHBondContact O-N 2.99Å; L166-L171 HydrophobicContact CD2-CD2 3.56Å; L166-V173 HydrophobicContact CD2-CG1 3.99Å; L166-V173 HydrophobicContact CG-CG1 4.37Å; L166-F174 HydrophobicContact CD1-CZ 4.18Å; L166-F174 HydrophobicContact CD2-CD2 4.48Å; L166-F174 HydrophobicContact CD2-CE2 3.51Å; L166-F174 HydrophobicContact CD2-CZ 3.69Å; L166-I244 HydrophobicContact CB-CD1 3.63Å; L166-I244 HydrophobicContact CD1-CD1 4.21Å
167	Y	97.4	Very high	95.8	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-18.5	174.9	-75.8	-44.4	0	0	0	114.1	L109 I110 Y111 L163 S165 C169 I242 I244 L258 L266	L109-Y167 HydrophobicContact CB-CD1 3.81Å; L109-Y167 HydrophobicContact CB-CE1 3.86Å; L109-Y167 HydrophobicContact CB-CG 4.2Å; L109-Y167 HydrophobicContact CD1-CD1 4.25Å; L109-Y167 HydrophobicContact CD1-CD2 4.33Å; L109-Y167 HydrophobicContact CD1-CG 3.91Å; L109-Y167 HydrophobicContact CD2-CD1 3.69Å; L109-Y167 HydrophobicContact CD2-CE1 4.47Å; L109-Y167 HydrophobicContact CD2-CG 4.1Å; L109-Y167 HydrophobicContact CG-CD1 4.11Å; L109-Y167 HydrophobicContact CG-CG 4.28Å; I110-Y167 PolarHBondContact O-OH 2.84Å; I110-Y167 VanDerWaalsContact O-OH 3.13Å; Y111-Y167 VanDerWaalsContact CA-OH 3.32Å; Y111-Y167 WeakPolarHBondContact CA-OH 3.35Å; Y111-Y167 VanDerWaalsContact CB-OH 3.29Å; Y111-Y167 WeakPolarHBondContact CB-OH 3.48Å; Y111-Y167 PolarHBondContact N-OH 3.16Å; L163-Y167 HydrophobicContact CD1-CD2 4.22Å; L163-Y167 HydrophobicContact CD1-CE2 3.58Å; L163-Y167 HydrophobicContact CD2-CE2 3.8Å; L163-Y167 HydrophobicContact CG-CD2 3.87Å; L163-Y167 HydrophobicContact CG-CE2 3.39Å; L163-Y167 VanDerWaalsContact O-CD2 3.26Å; L163-Y167 WeakPolarHBondContact O-CD2 3.3Å; L163-Y167 PolarHBondContact O-N 2.83Å; L163-Y167 VanDerWaalsContact O-N 3.08Å; S165-Y167 VanDerWaalsContact C-N 3.33Å; S165-Y167 PolarHBondContact O-N 3.15Å; Y167-C169 VanDerWaalsContact C-N 3.29Å; Y167-I242 HydrophobicContact CD1-CB 4.21Å; Y167-I242 HydrophobicContact CD1-CG2 3.84Å; Y167-I242 HydrophobicContact CE1-CG2 4.08Å; Y167-I244 HydrophobicContact CD1-CD1 3.83Å; Y167-I244 HydrophobicContact CD1-CG1 4.38Å; Y167-I244 HydrophobicContact CE1-CB 4.32Å; Y167-I244 HydrophobicContact CE1-CD1 3.6Å; Y167-I244 HydrophobicContact CE1-CG1 3.77Å; Y167-I244 HydrophobicContact CG-CD1 4.42Å; Y167-L258 HydrophobicContact CD2-CD2 4.49Å; Y167-L266 HydrophobicContact CE2-CD1 3.59Å; Y167-L266 HydrophobicContact CE2-CD2 4.11Å; Y167-L266 HydrophobicContact CE2-CG 4.47Å; Y167-L266 WeakPolarHBondContact OH-CD1 3.38Å
168	R	95.7	Very high	95.3	Very high	97 Å²	97	38.5 Å²	38.5	37%	0.366	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	6.9	170.9	-70.4	173.5	175.1	70.7	3.3	112.8	S164 S165 L166 D170 D261 S263	S164-R168 PolarHBondContact O-NH1 3.07Å; S164-R168 VanDerWaalsContact O-NH1 3.08Å; S164-R168 PolarHBondContact OG-NH1 3.35Å; S164-R168 VanDerWaalsContact OG-NH1 3.12Å; S165-R168 CarbonylContact O-C 3.54Å; S165-R168 WeakPolarHBondContact O-CA 3.37Å; S165-R168 WeakPolarHBondContact O-CB 3.41Å; S165-R168 PolarHBondContact O-N 3.22Å; L166-R168 PolarHBondContact O-N 2.97Å; R168-D170 PolarHBondContact O-N 3.19Å; R168-D261 IonicContact CZ-OD2 2.79Å; R168-D261 IonicContact NH2-OD2 3.65Å; R168-D261 PolarHBondContact NH2-OD2 3.4Å; R168-S263 PolarHBondContact NH2-OG 2.59Å
169	C	97.1	Very high	94.3	Very high	5 Å²	5	41 Å²	41	3%	0.034	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	29.1	-171.1	-59.3	0	0	0	0	113.1	R107 S165 L166 Y167 E233 C236 L237	R107-C169 PolarHBondContact NH1-SG 3.14Å; S165-C169 PolarHBondContact O-N 3.05Å; L166-C169 PolarHBondContact O-N 2.99Å; Y167-C169 VanDerWaalsContact C-N 3.29Å; C169-E233 WeakPolarHBondContact O-CB 3.35Å; C169-E233 WeakPolarHBondContact O-CG 3.43Å; C169-C236 HydrophobicContact CB-CB 3.65Å; C169-C236 WeakPolarHBondContact CB-SG 3.47Å; C169-C236 WeakPolarHBondContact SG-CB 3.37Å; C169-C236 CovalentContact SG-SG 2.04Å; C169-C236 PolarHBondContact SG-SG 3.33Å; C169-L237 HydrophobicContact CB-CD2 3.88Å; C169-L237 HydrophobicContact CB-CG 4.14Å
170	D	96.7	Very high	93	Very high	60 Å²	60	46.8 Å²	46.8	32%	0.321	25%	0.252	S	S	.	.			trans	-91.4	98.7	169.4	174.3	16.6	0	0	0	108.8	S165 R168 S172	S165-D170 CarbonylContact C-O 3.59Å; S165-D170 PolarHBondContact O-N 3.28Å; R168-D170 PolarHBondContact O-N 3.19Å; D170-S172 VanDerWaalsContact OD1-CB 3.25Å; D170-S172 WeakPolarHBondContact OD1-CB 3.46Å; D170-S172 PolarHBondContact OD1-N 3.09Å; D170-S172 VanDerWaalsContact OD1-N 3.1Å; D170-S172 PolarHBondContact OD1-OG 3.12Å
171	L	96.3	Very high	91.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	28%	0.283	C	S	.	.			trans	-90.5	-8.9	178.9	-62.1	170.4	0	0	0	111.3	L166 V173 F174 L229 L232 E233	L166-L171 HydrophobicContact CD2-CD2 3.56Å; L171-V173 PolarHBondContact O-N 3.02Å; L171-V173 VanDerWaalsContact O-N 3.08Å; L171-F174 HydrophobicContact CB-CD2 4.26Å; L171-F174 HydrophobicContact CB-CE2 4.46Å; L171-F174 HydrophobicContact CD2-CD2 4.29Å; L171-F174 HydrophobicContact CD2-CE2 3.65Å; L171-F174 WeakPolarHBondContact O-CD2 3.43Å; L171-F174 PolarHBondContact O-N 3.46Å; L171-F174 VanDerWaalsContact O-N 3.09Å; L171-L229 HydrophobicContact CB-CB 4.26Å; L171-L229 HydrophobicContact CB-CD1 4.48Å; L171-L229 HydrophobicContact CB-CD2 4.21Å; L171-L229 WeakPolarHBondContact O-CD1 3.2Å; L171-L232 HydrophobicContact CD1-CB 3.77Å; L171-L232 HydrophobicContact CD1-CD2 3.7Å; L171-L232 HydrophobicContact CD1-CG 3.5Å; L171-L232 VanDerWaalsContact CD1-CG 3.5Å; L171-E233 WeakPolarHBondContact CA-OE1 3.26Å; L171-E233 HydrophobicContact CB-CG 3.69Å; L171-E233 WeakPolarHBondContact CB-OE1 3.39Å; L171-E233 HydrophobicContact CD1-CB 4.47Å; L171-E233 HydrophobicContact CD1-CG 3.64Å; L171-E233 HydrophobicContact CG-CG 3.71Å; L171-E233 PolarHBondContact N-OE1 3.26Å
172	S	93.7	Very high	90.3	Very high	47 Å²	47	45.2 Å²	45.2	33%	0.329	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-57.6	-23.9	175.3	79.9	0	0	0	0	112.6	D170 F174 Q175 E233	D170-S172 VanDerWaalsContact OD1-CB 3.25Å; D170-S172 WeakPolarHBondContact OD1-CB 3.46Å; D170-S172 PolarHBondContact OD1-N 3.09Å; D170-S172 VanDerWaalsContact OD1-N 3.1Å; D170-S172 PolarHBondContact OD1-OG 3.12Å; S172-F174 PolarHBondContact O-N 2.85Å; S172-Q175 WeakPolarHBondContact O-CB 3.46Å; S172-Q175 VanDerWaalsContact O-CG 3.24Å; S172-Q175 WeakPolarHBondContact O-CG 3.47Å; S172-Q175 PolarHBondContact O-N 3.39Å; S172-E233 PolarHBondContact N-OE1 3.39Å; S172-E233 VanDerWaalsContact N-OE1 3.13Å
173	V	95.2	Very high	89.3	Confident	11 Å²	11	54.7 Å²	54.7	7%	0.067	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-52.6	-27.8	173.7	71.2	0	0	0	0	113.8	M162 L166 L171 Q175 L176 Y177	M162-V173 HydrophobicContact CB-CG2 4.23Å; M162-V173 HydrophobicContact CE-CG1 4.47Å; M162-V173 HydrophobicContact CE-CG2 4.39Å; M162-V173 HydrophobicContact CG-CG1 4.11Å; M162-V173 HydrophobicContact CG-CG2 4.33Å; L166-V173 HydrophobicContact CD2-CG1 3.99Å; L166-V173 HydrophobicContact CG-CG1 4.37Å; L171-V173 PolarHBondContact O-N 3.02Å; L171-V173 VanDerWaalsContact O-N 3.08Å; V173-Q175 PolarHBondContact O-N 3.12Å; V173-L176 HydrophobicContact CG2-CD1 4.21Å; V173-L176 WeakPolarHBondContact O-CB 3.34Å; V173-L176 PolarHBondContact O-N 3.26Å; V173-Y177 HydrophobicContact CG2-CE2 4.48Å; V173-Y177 WeakPolarHBondContact O-CD2 3.05Å
174	F	94.4	Very high	88.5	Confident	1 Å²	1	61.8 Å²	61.8	0%	0.004	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-65.9	-23.8	175.5	-69.8	-64.5	0	0	0	113.3	P139 H142 M162 L166 L171 S172 L176 Y177 N178 F185 L190 L229	P139-F174 HydrophobicContact CB-CE1 3.87Å; P139-F174 HydrophobicContact CB-CZ 3.64Å; H142-F174 HydrophobicContact CB-CD1 4.45Å; H142-F174 AromaticContact CD2-CD1 3.65Å; H142-F174 AromaticContact CD2-CE1 3.61Å; M162-F174 HydrophobicContact CE-CD1 4.05Å; M162-F174 HydrophobicContact CE-CE1 4.02Å; M162-F174 HydrophobicContact SD-CE1 4.04Å; L166-F174 HydrophobicContact CD1-CZ 4.18Å; L166-F174 HydrophobicContact CD2-CD2 4.48Å; L166-F174 HydrophobicContact CD2-CE2 3.51Å; L166-F174 HydrophobicContact CD2-CZ 3.69Å; L171-F174 HydrophobicContact CB-CD2 4.26Å; L171-F174 HydrophobicContact CB-CE2 4.46Å; L171-F174 HydrophobicContact CD2-CD2 4.29Å; L171-F174 HydrophobicContact CD2-CE2 3.65Å; L171-F174 WeakPolarHBondContact O-CD2 3.43Å; L171-F174 PolarHBondContact O-N 3.46Å; L171-F174 VanDerWaalsContact O-N 3.09Å; S172-F174 PolarHBondContact O-N 2.85Å; F174-L176 PolarHBondContact O-N 2.02Å; F174-Y177 PolarHBondContact O-N 3.28Å; F174-Y177 VanDerWaalsContact O-N 3.1Å; F174-N178 PolarHBondContact O-N 2.84Å; F174-F185 HydrophobicContact CB-CD1 4Å; F174-F185 HydrophobicContact CB-CD2 4.15Å; F174-F185 HydrophobicContact CB-CE1 3.89Å; F174-F185 HydrophobicContact CB-CE2 4.04Å; F174-F185 HydrophobicContact CB-CG 4.12Å; F174-F185 HydrophobicContact CB-CZ 3.9Å; F174-F185 HydrophobicContact CD1-CZ 4.2Å; F174-F185 HydrophobicContact CD2-CE1 4.38Å; F174-F185 HydrophobicContact CG-CE1 4.05Å; F174-F185 HydrophobicContact CG-CZ 4.03Å; F174-L190 HydrophobicContact CD1-CD2 4.08Å; F174-L190 HydrophobicContact CD2-CD2 3.4Å; F174-L190 HydrophobicContact CE1-CD2 3.9Å; F174-L190 HydrophobicContact CE2-CD2 3.16Å; F174-L190 HydrophobicContact CG-CD2 3.87Å; F174-L190 HydrophobicContact CZ-CD2 3.44Å; F174-L190 VanDerWaalsContact CZ-CD2 3.44Å; F174-L229 HydrophobicContact CB-CD1 4.38Å
175	Q	90.8	Very high	88.1	Confident	124 Å²	124	61.6 Å²	61.6	58%	0.579	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-63.6	-32.1	178.7	-60.7	178.2	15.8	0	0	111.9	S172 V173 Y177 N178	S172-Q175 WeakPolarHBondContact O-CB 3.46Å; S172-Q175 VanDerWaalsContact O-CG 3.24Å; S172-Q175 WeakPolarHBondContact O-CG 3.47Å; S172-Q175 PolarHBondContact O-N 3.39Å; V173-Q175 PolarHBondContact O-N 3.12Å; Q175-Y177 PolarHBondContact O-N 3.3Å; Q175-N178 WeakPolarHBondContact O-CB 3.45Å; Q175-N178 PolarHBondContact O-N 2.96Å; Q175-N178 VanDerWaalsContact O-N 3.16Å
176	L	90.6	Very high	87.9	Confident	126 Å²	126	62.2 Å²	62.2	66%	0.66	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26.3	175.9	-60.6	177.3	0	0	0	112.8	V173 F174	V173-L176 HydrophobicContact CG2-CD1 4.21Å; V173-L176 WeakPolarHBondContact O-CB 3.34Å; V173-L176 PolarHBondContact O-N 3.26Å; F174-L176 PolarHBondContact O-N 2.02Å
177	Y	89.9	Confident	87.7	Confident	37 Å²	37	62.2 Å²	62.2	15%	0.145	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-107.6	9.3	-176.9	-53.2	-73.5	0	0	0	112.9	I143 K146 L147 M162 V173 F174 Q175	I143-Y177 HydrophobicContact CB-CE1 4.28Å; I143-Y177 HydrophobicContact CD1-CE2 4.32Å; I143-Y177 HydrophobicContact CG1-CD1 4.23Å; I143-Y177 HydrophobicContact CG1-CD2 4.13Å; I143-Y177 HydrophobicContact CG1-CE1 3.89Å; I143-Y177 HydrophobicContact CG1-CE2 3.79Å; I143-Y177 HydrophobicContact CG1-CG 4.34Å; I143-Y177 HydrophobicContact CG2-CE1 4.18Å; K146-Y177 HydrophobicContact CB-CD1 4.07Å; K146-Y177 HydrophobicContact CG-CD1 4.13Å; L147-Y177 HydrophobicContact CD1-CE1 4.24Å; M162-Y177 HydrophobicContact CE-CD2 3.39Å; M162-Y177 HydrophobicContact CE-CE2 3.33Å; M162-Y177 HydrophobicContact CE-CG 4.49Å; V173-Y177 HydrophobicContact CG2-CE2 4.48Å; V173-Y177 WeakPolarHBondContact O-CD2 3.05Å; F174-Y177 PolarHBondContact O-N 3.28Å; F174-Y177 VanDerWaalsContact O-N 3.1Å; Q175-Y177 PolarHBondContact O-N 3.3Å
178	N	84.7	Confident	87.5	Confident	49 Å²	49	64 Å²	64	26%	0.262	37%	0.365	S	S	.	.	S	Bend	trans	-71.8	158.8	172.6	-159.9	11.4	0	0	0	111.2	K146 F174 Q175 K183	K146-N178 PolarHBondContact NZ-O 2.99Å; F174-N178 PolarHBondContact O-N 2.84Å; Q175-N178 WeakPolarHBondContact O-CB 3.45Å; Q175-N178 PolarHBondContact O-N 2.96Å; Q175-N178 VanDerWaalsContact O-N 3.16Å; N178-K183 PolarHBondContact ND2-O 3.05Å
179	S	77.6	Confident	87.4	Confident	77 Å²	77	61 Å²	61	54%	0.538	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-75.9	139	173.4	-69.7	0	0	0	0	110.5	G181 G182	S179-G181 PolarHBondContact O-N 2.96Å; S179-G182 PolarHBondContact O-N 3.07Å
180	P	69.5	Low	87.3	Confident	123 Å²	123	61.5 Å²	61.5	80%	0.799	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	130.8	172.2	-22.1	33	0	0	0	110.1	G182	P180-G182 PolarHBondContact O-N 3.39Å
181	G	68.8	Low	87.2	Confident	91 Å²	91	61.7 Å²	61.7	94%	0.938	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	7.8	-175.1	0	0	0	0	0	115.1	S179	S179-G181 PolarHBondContact O-N 2.96Å
182	G	69.4	Low	87.1	Confident	34 Å²	34	62.5 Å²	62.5	35%	0.351	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-70.5	155.6	173.4	0	0	0	0	0	112.4	S179 P180	S179-G182 PolarHBondContact O-N 3.07Å; P180-G182 PolarHBondContact O-N 3.39Å
183	K	76.6	Confident	87.2	Confident	199 Å²	199	60.4 Å²	60.4	87%	0.865	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-57.2	155.7	168.5	-67.1	-176.6	178.8	-177.6	0	110.1	N178 F185	N178-K183 PolarHBondContact ND2-O 3.05Å; K183-F185 PolarHBondContact O-N 2.91Å
184	N	81.3	Confident	87.3	Confident	149 Å²	149	61.4 Å²	61.4	80%	0.797	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-52	134.8	173.1	-72.9	-15	0	0	0	110.3	T186	N184-T186 PolarHBondContact O-N 3.14Å
185	F	88.4	Confident	87.3	Confident	29 Å²	29	64.4 Å²	64.4	13%	0.127	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-65.7	130.6	178.9	-161.9	-73.8	0	0	0	109	H142 F174 K183 G189 L190 L229	H142-F185 AromaticContact CE1-CE2 3.84Å; H142-F185 AromaticContact CE1-CZ 3.73Å; H142-F185 AromaticContact NE2-CZ 3.65Å; F174-F185 HydrophobicContact CB-CD1 4Å; F174-F185 HydrophobicContact CB-CD2 4.15Å; F174-F185 HydrophobicContact CB-CE1 3.89Å; F174-F185 HydrophobicContact CB-CE2 4.04Å; F174-F185 HydrophobicContact CB-CG 4.12Å; F174-F185 HydrophobicContact CB-CZ 3.9Å; F174-F185 HydrophobicContact CD1-CZ 4.2Å; F174-F185 HydrophobicContact CD2-CE1 4.38Å; F174-F185 HydrophobicContact CG-CE1 4.05Å; F174-F185 HydrophobicContact CG-CZ 4.03Å; K183-F185 PolarHBondContact O-N 2.91Å; F185-G189 VanDerWaalsContact CZ-C 3.45Å; F185-G189 VanDerWaalsContact CZ-O 3.31Å; F185-G189 WeakPolarHBondContact CZ-O 3.38Å; F185-L190 HydrophobicContact CE1-CD2 3.44Å; F185-L190 VanDerWaalsContact CE1-CD2 3.44Å; F185-L190 HydrophobicContact CE1-CG 3.86Å; F185-L190 HydrophobicContact CZ-CD2 3.85Å; F185-L190 HydrophobicContact CZ-CG 4.44Å; F185-L229 HydrophobicContact CB-CD1 4.09Å; F185-L229 HydrophobicContact CD1-CD1 3.7Å; F185-L229 HydrophobicContact CD1-CD2 3.79Å; F185-L229 HydrophobicContact CD1-CG 3.99Å; F185-L229 HydrophobicContact CE1-CD2 4.14Å; F185-L229 HydrophobicContact CG-CD1 4.25Å
186	T	93.3	Very high	87.6	Confident	41 Å²	41	58.9 Å²	58.9	25%	0.252	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-119.7	169.2	-177.3	57.9	0	0	0	0	110.9	N184 L188 G189 P226 Q227	N184-T186 PolarHBondContact O-N 3.14Å; T186-L188 PolarHBondContact O-N 3.43Å; T186-G189 WeakPolarHBondContact O-CA 3.2Å; T186-G189 PolarHBondContact O-N 2.92Å; T186-P226 HydrophobicContact CG2-CB 3.93Å; T186-Q227 CarbonylContact C-O 3.55Å; T186-Q227 VanDerWaalsContact CA-O 3.27Å; T186-Q227 WeakPolarHBondContact CA-O 3.46Å; T186-Q227 WeakPolarHBondContact CB-O 3.33Å
187	S	93.6	Very high	87.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.007	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-52	-40.1	175.6	61.4	0	0	0	0	112.8	G189 L190 A193 Q227	S187-G189 VanDerWaalsContact C-N 3.27Å; S187-G189 PolarHBondContact O-N 3.35Å; S187-L190 WeakPolarHBondContact O-CB 3.4Å; S187-L190 WeakPolarHBondContact O-CG 3.48Å; S187-L190 PolarHBondContact O-N 3.41Å; S187-A193 VanDerWaalsContact O-CB 3.22Å; S187-A193 WeakPolarHBondContact O-CB 3.39Å; S187-Q227 PolarHBondContact N-O 2.84Å; S187-Q227 WeakPolarHBondContact OG-CB 3.44Å; S187-Q227 PolarHBondContact OG-N 3.01Å; S187-Q227 VanDerWaalsContact OG-N 3.09Å
188	L	93.8	Very high	88.2	Confident	43 Å²	43	51.9 Å²	51.9	23%	0.225	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-74.8	-12.9	177.9	-65.6	-177.4	0	0	0	114	T186 L190 A193 V199 C224 P226	T186-L188 PolarHBondContact O-N 3.43Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-A193 HydrophobicContact CD2-CB 4.44Å; L188-V199 HydrophobicContact CD2-CG1 3.97Å; L188-C224 WeakPolarHBondContact CD1-O 3.42Å; L188-P226 HydrophobicContact CD1-CB 4.34Å; L188-P226 HydrophobicContact CD1-CG 4.15Å
189	G	93.1	Very high	88.8	Confident	33 Å²	33	49.7 Å²	49.7	34%	0.34	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-76	-15.3	171.2	0	0	0	0	0	113.3	H142 F185 T186 S187	H142-G189 PolarHBondContact CE1-O 2.82Å; H142-G189 PolarHBondContact NE2-O 3.46Å; F185-G189 VanDerWaalsContact CZ-C 3.45Å; F185-G189 VanDerWaalsContact CZ-O 3.31Å; F185-G189 WeakPolarHBondContact CZ-O 3.38Å; T186-G189 WeakPolarHBondContact O-CA 3.2Å; T186-G189 PolarHBondContact O-N 2.92Å; S187-G189 VanDerWaalsContact C-N 3.27Å; S187-G189 PolarHBondContact O-N 3.35Å
190	L	94.8	Very high	89.7	Confident	15 Å²	15	46 Å²	46	8%	0.079	28%	0.284	C	S	.	.	S	Bend	trans	-65.7	141.6	176.3	-62.3	173.7	0	0	0	110.8	F174 F185 S187 L188 G192 A193 L232	F174-L190 HydrophobicContact CD1-CD2 4.08Å; F174-L190 HydrophobicContact CD2-CD2 3.4Å; F174-L190 HydrophobicContact CE1-CD2 3.9Å; F174-L190 HydrophobicContact CE2-CD2 3.16Å; F174-L190 HydrophobicContact CG-CD2 3.87Å; F174-L190 HydrophobicContact CZ-CD2 3.44Å; F174-L190 VanDerWaalsContact CZ-CD2 3.44Å; F185-L190 HydrophobicContact CE1-CD2 3.44Å; F185-L190 VanDerWaalsContact CE1-CD2 3.44Å; F185-L190 HydrophobicContact CE1-CG 3.86Å; F185-L190 HydrophobicContact CZ-CD2 3.85Å; F185-L190 HydrophobicContact CZ-CG 4.44Å; S187-L190 WeakPolarHBondContact O-CB 3.4Å; S187-L190 WeakPolarHBondContact O-CG 3.48Å; S187-L190 PolarHBondContact O-N 3.41Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L190-G192 PolarHBondContact O-N 3.3Å; L190-A193 HydrophobicContact CB-CB 4.1Å; L190-A193 WeakPolarHBondContact O-CB 3.41Å; L190-A193 PolarHBondContact O-N 3.06Å; L190-L232 HydrophobicContact CD1-CD2 3.33Å
191	F	95.4	Very high	91	Very high	64 Å²	64	40.2 Å²	40.2	28%	0.281	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	128.6	178	-176.9	-105.8	0	0	0	109.1	Y137 E138 W141 H142 A193	Y137-F191 AromaticContact CD1-CD1 3.92Å; Y137-F191 HydrophobicContact CD1-CD1 3.92Å; Y137-F191 AromaticContact CD1-CE1 3.83Å; Y137-F191 HydrophobicContact CD1-CE1 3.83Å; Y137-F191 HydrophobicContact CE1-CD1 4.31Å; Y137-F191 AromaticContact CE1-CE1 3.73Å; Y137-F191 HydrophobicContact CE1-CE1 3.73Å; E138-F191 HydrophobicContact CB-CD1 3.84Å; E138-F191 HydrophobicContact CB-CE1 3.96Å; W141-F191 HydrophobicContact CB-CB 3.98Å; W141-F191 HydrophobicContact CB-CD1 3.84Å; W141-F191 HydrophobicContact CB-CD2 4.2Å; W141-F191 HydrophobicContact CB-CE1 4.36Å; W141-F191 HydrophobicContact CB-CG 3.74Å; W141-F191 AromaticContact CD1-CD2 3.78Å; W141-F191 AromaticContact CD1-CE2 3.57Å; W141-F191 AromaticContact CD1-CZ 3.72Å; W141-F191 HydrophobicContact CD2-CB 4.25Å; W141-F191 AromaticContact CD2-CD2 3.49Å; W141-F191 HydrophobicContact CD2-CD2 3.49Å; W141-F191 VanDerWaalsContact CD2-CD2 3.49Å; W141-F191 AromaticContact CD2-CE2 3.98Å; W141-F191 HydrophobicContact CD2-CE2 3.98Å; W141-F191 AromaticContact CD2-CG 3.91Å; W141-F191 HydrophobicContact CD2-CG 3.91Å; W141-F191 AromaticContact CE2-CD2 3.68Å; W141-F191 AromaticContact CE2-CE2 3.76Å; W141-F191 HydrophobicContact CE3-CB 4.13Å; W141-F191 AromaticContact CE3-CD2 3.94Å; W141-F191 HydrophobicContact CE3-CD2 3.94Å; W141-F191 HydrophobicContact CE3-CG 4.26Å; W141-F191 HydrophobicContact CG-CB 4.21Å; W141-F191 HydrophobicContact CG-CD1 4.03Å; W141-F191 AromaticContact CG-CD2 3.6Å; W141-F191 HydrophobicContact CG-CD2 3.6Å; W141-F191 HydrophobicContact CG-CE1 4.28Å; W141-F191 AromaticContact CG-CE2 3.91Å; W141-F191 HydrophobicContact CG-CE2 3.91Å; W141-F191 AromaticContact CG-CG 3.67Å; W141-F191 HydrophobicContact CG-CG 3.67Å; W141-F191 HydrophobicContact CG-CZ 4.23Å; W141-F191 HydrophobicContact CZ2-CD2 4.27Å; W141-F191 HydrophobicContact CZ2-CE2 4.38Å; W141-F191 HydrophobicContact CZ3-CD2 4.5Å; W141-F191 AromaticContact NE1-CD2 3.9Å; W141-F191 AromaticContact NE1-CE2 3.56Å; H142-F191 PolarHBondContact NE2-N 3.25Å; F191-A193 VanDerWaalsContact C-N 3.27Å; F191-A193 PolarHBondContact O-N 2.88Å
192	G	94.9	Very high	92.2	Very high	18 Å²	18	44.5 Å²	44.5	19%	0.186	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	7.8	-175.3	0	0	0	0	0	115.5	L190 T194 L195 N196	L190-G192 PolarHBondContact O-N 3.3Å; G192-T194 PolarHBondContact O-N 3.04Å; G192-L195 PolarHBondContact O-N 3.01Å; G192-N196 PolarHBondContact O-N 3.09Å
193	A	95.8	Very high	93.3	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.033	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-52.3	-40.3	-178.9	0	0	0	0	0	113.6	S187 L188 L190 F191 L195 N196 V199 C200	S187-A193 VanDerWaalsContact O-CB 3.22Å; S187-A193 WeakPolarHBondContact O-CB 3.39Å; L188-A193 HydrophobicContact CD2-CB 4.44Å; L190-A193 HydrophobicContact CB-CB 4.1Å; L190-A193 WeakPolarHBondContact O-CB 3.41Å; L190-A193 PolarHBondContact O-N 3.06Å; F191-A193 VanDerWaalsContact C-N 3.27Å; F191-A193 PolarHBondContact O-N 2.88Å; A193-L195 PolarHBondContact O-N 2.7Å; A193-L195 VanDerWaalsContact O-N 3.12Å; A193-N196 VanDerWaalsContact O-CB 3.32Å; A193-N196 WeakPolarHBondContact O-CB 3.48Å; A193-N196 PolarHBondContact O-N 3.15Å; A193-V199 HydrophobicContact CB-CG1 4.39Å; A193-C200 PolarHBondContact O-SG 2.79Å
194	T	96	Very high	94.2	Very high	31 Å²	31	36.6 Å²	36.6	19%	0.19	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-71.9	-4.6	-177.7	62.1	0	0	0	0	114	G192 V216 C221 K222	G192-T194 PolarHBondContact O-N 3.04Å; T194-V216 WeakPolarHBondContact O-CG1 3.09Å; T194-C221 WeakPolarHBondContact O-CB 3.45Å; T194-K222 HydrophobicContact CG2-CG 3.66Å
195	L	95.6	Very high	95	Very high	64 Å²	64	29.9 Å²	29.9	34%	0.335	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-114.3	-0.4	174.4	-61.8	175	0	0	0	111.4	N128 G192 A193 D218	N128-L195 PolarHBondContact ND2-O 3.42Å; G192-L195 PolarHBondContact O-N 3.01Å; A193-L195 PolarHBondContact O-N 2.7Å; A193-L195 VanDerWaalsContact O-N 3.12Å; L195-D218 HydrophobicContact CD2-CB 3.88Å
196	N	96.7	Very high	95.3	Very high	8 Å²	8	34 Å²	34	4%	0.043	19%	0.194	C	C	.	.			trans	-86.6	123.6	-173.7	-176.8	-77.6	0	0	0	110.7	F135 G192 A193 V198 V199 C200	F135-N196 PolarHBondContact O-ND2 3.17Å; G192-N196 PolarHBondContact O-N 3.09Å; A193-N196 VanDerWaalsContact O-CB 3.32Å; A193-N196 WeakPolarHBondContact O-CB 3.48Å; A193-N196 PolarHBondContact O-N 3.15Å; N196-V198 VanDerWaalsContact C-N 3.31Å; N196-V198 PolarHBondContact O-N 2.89Å; N196-V198 WeakPolarHBondContact OD1-CA 3.31Å; N196-V198 WeakPolarHBondContact OD1-CB 3.01Å; N196-V198 PolarHBondContact OD1-N 3.5Å; N196-V199 HydrophobicContact CB-CB 4.09Å; N196-V199 HydrophobicContact CB-CG2 4.08Å; N196-V199 PolarHBondContact O-N 3.48Å; N196-V199 PolarHBondContact OD1-N 2.88Å; N196-C200 VanDerWaalsContact O-CB 3.31Å; N196-C200 WeakPolarHBondContact O-CB 3.36Å; N196-C200 PolarHBondContact O-N 2.9Å; N196-C200 PolarHBondContact O-SG 2.84Å
197	K	96.2	Very high	95.5	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.03	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-37.7	-174.7	-162.4	71.6	169.3	-166.3	0	112.6	N128 S201 R209 V212 G214 V216	N128-K197 WeakPolarHBondContact O-CB 3.37Å; N128-K197 PolarHBondContact OD1-N 2.99Å; K197-S201 WeakPolarHBondContact O-CB 3.43Å; K197-S201 PolarHBondContact O-N 2.78Å; K197-S201 PolarHBondContact O-OG 2.82Å; K197-R209 WeakPolarHBondContact CE-O 3.34Å; K197-V212 WeakPolarHBondContact CE-O 3.3Å; K197-V212 PolarHBondContact NZ-O 3.35Å; K197-G214 PolarHBondContact NZ-O 3.39Å; K197-V216 HydrophobicContact CD-CG2 3.75Å
198	V	96.1	Very high	95.6	Very high	9 Å²	9	36 Å²	36	6%	0.055	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-49.3	179.2	179	0	0	0	0	110.9	F134 N196 C200 S201 L204 L232 E235 Y239	F134-V198 HydrophobicContact CD2-CG1 4.02Å; F134-V198 HydrophobicContact CD2-CG2 4.35Å; F134-V198 HydrophobicContact CE2-CG1 3.93Å; N196-V198 VanDerWaalsContact C-N 3.31Å; N196-V198 PolarHBondContact O-N 2.89Å; N196-V198 WeakPolarHBondContact OD1-CA 3.31Å; N196-V198 WeakPolarHBondContact OD1-CB 3.01Å; N196-V198 PolarHBondContact OD1-N 3.5Å; V198-C200 VanDerWaalsContact C-N 3.27Å; V198-C200 PolarHBondContact O-N 3.23Å; V198-S201 PolarHBondContact O-N 3.08Å; V198-L204 HydrophobicContact CG1-CD1 4.36Å; V198-L232 HydrophobicContact CG1-CD1 4.47Å; V198-E235 HydrophobicContact CG1-CG 3.9Å; V198-Y239 HydrophobicContact CG2-CE1 4.47Å
199	V	97	Very high	95.7	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-35.5	180	176.1	0	0	0	0	111.8	L188 A193 N196 S201 L232	L188-V199 HydrophobicContact CD2-CG1 3.97Å; A193-V199 HydrophobicContact CB-CG1 4.39Å; N196-V199 HydrophobicContact CB-CB 4.09Å; N196-V199 HydrophobicContact CB-CG2 4.08Å; N196-V199 PolarHBondContact O-N 3.48Å; N196-V199 PolarHBondContact OD1-N 2.88Å; V199-S201 VanDerWaalsContact C-N 3.34Å; V199-L232 HydrophobicContact CG2-CD1 4.2Å; V199-L232 HydrophobicContact CG2-CD2 4.35Å
200	C	97.5	Very high	95.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	2.1	-177.6	-54.1	0	0	0	0	113.9	A193 N196 V198 Y208 V216 C221	A193-C200 PolarHBondContact O-SG 2.79Å; N196-C200 VanDerWaalsContact O-CB 3.31Å; N196-C200 WeakPolarHBondContact O-CB 3.36Å; N196-C200 PolarHBondContact O-N 2.9Å; N196-C200 PolarHBondContact O-SG 2.84Å; V198-C200 VanDerWaalsContact C-N 3.27Å; V198-C200 PolarHBondContact O-N 3.23Å; C200-Y208 HydrophobicContact CB-CD2 3.91Å; C200-Y208 WeakPolarHBondContact O-CB 3.33Å; C200-Y208 PolarHBondContact O-N 3.33Å; C200-Y208 VanDerWaalsContact O-N 3.09Å; C200-V216 HydrophobicContact CB-CG1 3.99Å; C200-V216 HydrophobicContact CB-CG2 4.45Å; C200-C221 HydrophobicContact CB-CB 3.78Å; C200-C221 WeakPolarHBondContact CB-SG 3.39Å; C200-C221 WeakPolarHBondContact SG-CB 3.32Å; C200-C221 CovalentContact SG-SG 2.02Å; C200-C221 PolarHBondContact SG-SG 3.12Å
201	S	96.8	Very high	95.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.007	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-120.9	165.8	-178.9	-54.9	0	0	0	0	113	K197 V198 V199 L204 C205 Y208	K197-S201 WeakPolarHBondContact O-CB 3.43Å; K197-S201 PolarHBondContact O-N 2.78Å; K197-S201 PolarHBondContact O-OG 2.82Å; V198-S201 PolarHBondContact O-N 3.08Å; V199-S201 VanDerWaalsContact C-N 3.34Å; S201-L204 PolarHBondContact O-N 3.1Å; S201-C205 CarbonylContact C-O 3.13Å; S201-C205 WeakPolarHBondContact CA-O 3.31Å; S201-C205 PolarHBondContact O-N 3.3Å; S201-Y208 VanDerWaalsContact CA-O 3.3Å; S201-Y208 WeakPolarHBondContact CA-O 3.32Å; S201-Y208 WeakPolarHBondContact CB-O 3.27Å; S201-Y208 WeakPolarHBondContact OG-CB 3.21Å; S201-Y208 PolarHBondContact OG-O 2.88Å
202	Y	93.2	Very high	95.6	Very high	180 Å²	180	47.8 Å²	47.8	71%	0.706	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	140.6	-179	-178.7	-86.5	0	0	0	110.1	C205	Y202-C205 WeakPolarHBondContact CA-O 3.01Å; Y202-C205 PolarHBondContact N-O 2.94Å
203	P	93.3	Very high	95.6	Very high	60 Å²	60	48.3 Å²	48.3	39%	0.39	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87	-6.4	8.2	34.7	-36.2	0	0	0	115.4
204	L	95.6	Very high	95.5	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-33.6	-173.8	-60.2	175.5	0	0	0	112.4	V198 S201 Q227 L231 L232 E235	V198-L204 HydrophobicContact CG1-CD1 4.36Å; S201-L204 PolarHBondContact O-N 3.1Å; L204-Q227 HydrophobicContact CB-CG 4.18Å; L204-Q227 HydrophobicContact CD2-CB 4.24Å; L204-Q227 HydrophobicContact CD2-CG 4.05Å; L204-Q227 PolarHBondContact O-NE2 3.4Å; L204-L231 HydrophobicContact CD2-CB 4.06Å; L204-L232 HydrophobicContact CD1-CD1 3.45Å; L204-L232 VanDerWaalsContact CD1-CD1 3.45Å; L204-E235 HydrophobicContact CD1-CB 4.47Å; L204-E235 HydrophobicContact CD1-CG 4.42Å
205	C	96.9	Very high	95.4	Very high	8 Å²	8	50.8 Å²	50.8	5%	0.054	26%	0.262	C	S	.	.			trans	-153.2	141	175.1	-176.6	0	0	0	0	112.7	S201 Y202 A207 C224	S201-C205 CarbonylContact C-O 3.13Å; S201-C205 WeakPolarHBondContact CA-O 3.31Å; S201-C205 PolarHBondContact O-N 3.3Å; Y202-C205 WeakPolarHBondContact CA-O 3.01Å; Y202-C205 PolarHBondContact N-O 2.94Å; C205-A207 VanDerWaalsContact C-N 3.29Å; C205-A207 PolarHBondContact O-N 3.02Å; C205-A207 VanDerWaalsContact SG-CB 3.55Å; C205-A207 PolarHBondContact SG-N 2.92Å; C205-C224 HydrophobicContact CB-CB 3.61Å; C205-C224 WeakPolarHBondContact CB-SG 3.38Å; C205-C224 WeakPolarHBondContact SG-CB 3.37Å; C205-C224 CovalentContact SG-SG 2.01Å; C205-C224 PolarHBondContact SG-SG 2.56Å
206	S	96.1	Very high	95.4	Very high	116 Å²	116	48 Å²	48	81%	0.811	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	5.3	179.1	53.8	0	0	0	0	115	Y208	S206-Y208 PolarHBondContact O-N 3.08Å
207	A	96.8	Very high	95.3	Very high	38 Å²	38	51.1 Å²	51.1	31%	0.314	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-31.6	-173.7	0	0	0	0	0	113.8	C205 V220	C205-A207 VanDerWaalsContact C-N 3.29Å; C205-A207 PolarHBondContact O-N 3.02Å; C205-A207 VanDerWaalsContact SG-CB 3.55Å; C205-A207 PolarHBondContact SG-N 2.92Å; A207-V220 HydrophobicContact CB-CG1 3.97Å
208	Y	96.6	Very high	95.2	Very high	47 Å²	47	53.3 Å²	53.3	18%	0.184	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-135.9	164.9	-178.5	-68.4	-89.8	0	0	0	111.5	C200 S201 S206 V216 D217 V220	C200-Y208 HydrophobicContact CB-CD2 3.91Å; C200-Y208 WeakPolarHBondContact O-CB 3.33Å; C200-Y208 PolarHBondContact O-N 3.33Å; C200-Y208 VanDerWaalsContact O-N 3.09Å; S201-Y208 VanDerWaalsContact CA-O 3.3Å; S201-Y208 WeakPolarHBondContact CA-O 3.32Å; S201-Y208 WeakPolarHBondContact CB-O 3.27Å; S201-Y208 WeakPolarHBondContact OG-CB 3.21Å; S201-Y208 PolarHBondContact OG-O 2.88Å; S206-Y208 PolarHBondContact O-N 3.08Å; Y208-V216 HydrophobicContact CD2-CG1 4.26Å; Y208-V216 HydrophobicContact CE2-CG1 3.81Å; Y208-D217 VanDerWaalsContact OH-CB 3.26Å; Y208-D217 WeakPolarHBondContact OH-CB 3.16Å; Y208-D217 PolarHBondContact OH-N 3.4Å; Y208-V220 HydrophobicContact CE2-CB 4.13Å; Y208-V220 HydrophobicContact CE2-CG1 3.89Å
209	R	94.7	Very high	95.2	Very high	162 Å²	162	60 Å²	60	61%	0.611	31%	0.306	S	S	*	.			trans	-110.6	133.8	169.2	-69.5	-169.1	-61.6	164.9	-3.3	108.8	K197 E211 V212	K197-R209 WeakPolarHBondContact CE-O 3.34Å; R209-E211 VanDerWaalsContact C-N 3.31Å; R209-E211 WeakPolarHBondContact CB-OE1 3.34Å; R209-E211 WeakPolarHBondContact CD-OE1 3.39Å; R209-E211 IonicContact NE-OE1 2.93Å; R209-E211 IonicContact NH1-OE1 2.73Å; R209-E211 PolarHBondContact O-N 2.98Å; R209-V212 HydrophobicContact CB-CB 4.44Å; R209-V212 HydrophobicContact CB-CG2 3.9Å; R209-V212 PolarHBondContact O-N 3.15Å
210	K	92.8	Very high	95.2	Very high	78 Å²	78	62.5 Å²	62.5	34%	0.339	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-32.6	-172.9	63.6	176.4	-178.6	176.5	0	112.6	P131 V212	P131-K210 HydrophobicContact CB-CG 4.24Å; K210-V212 VanDerWaalsContact C-N 3.31Å; K210-V212 PolarHBondContact O-N 2.95Å
211	E	93.2	Very high	95.1	Very high	96 Å²	96	62.5 Å²	62.5	45%	0.449	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.3	-178.8	65.2	-82.1	-171.4	0	0	113.5	R209 V213	R209-E211 VanDerWaalsContact C-N 3.31Å; R209-E211 WeakPolarHBondContact CB-OE1 3.34Å; R209-E211 WeakPolarHBondContact CD-OE1 3.39Å; R209-E211 IonicContact NE-OE1 2.93Å; R209-E211 IonicContact NH1-OE1 2.73Å; R209-E211 PolarHBondContact O-N 2.98Å; E211-V213 PolarHBondContact O-N 3.24Å
212	V	95.1	Very high	95.1	Very high	65 Å²	65	68.3 Å²	68.3	39%	0.394	35%	0.346	S	S	.	.	S	Bend	trans	-88.1	110.8	179.6	-179.5	0	0	0	0	109.5	K197 R209 K210 G214	K197-V212 WeakPolarHBondContact CE-O 3.3Å; K197-V212 PolarHBondContact NZ-O 3.35Å; R209-V212 HydrophobicContact CB-CB 4.44Å; R209-V212 HydrophobicContact CB-CG2 3.9Å; R209-V212 PolarHBondContact O-N 3.15Å; K210-V212 VanDerWaalsContact C-N 3.31Å; K210-V212 PolarHBondContact O-N 2.95Å; V212-G214 PolarHBondContact O-N 3.19Å
213	V	96	Very high	95.2	Very high	30 Å²	30	68.1 Å²	68.1	18%	0.182	35%	0.349	C	S	.	.			trans	-64.3	127.6	175.4	176.3	0	0	0	0	110.3	Q129 E211 D385 I386 F389	Q129-V213 HydrophobicContact CB-CG1 4.17Å; Q129-V213 HydrophobicContact CG-CG1 4.35Å; E211-V213 PolarHBondContact O-N 3.24Å; V213-D385 HydrophobicContact CB-CB 3.97Å; V213-D385 HydrophobicContact CG2-CB 3.74Å; V213-I386 HydrophobicContact CG2-CG1 3.67Å; V213-F389 HydrophobicContact CG1-CB 3.6Å; V213-F389 HydrophobicContact CG1-CD2 4.06Å; V213-F389 HydrophobicContact CG1-CG 3.89Å
214	G	94.2	Very high	95.3	Very high	23 Å²	23	65.7 Å²	65.7	24%	0.237	33%	0.333	C	S	.	.	S	Bend	trans	159.7	143.8	177.5	0	0	0	0	0	112.5	Q129 K197 V212 V216	Q129-G214 PolarHBondContact OE1-O 3.31Å; K197-G214 PolarHBondContact NZ-O 3.39Å; V212-G214 PolarHBondContact O-N 3.19Å; G214-V216 PolarHBondContact O-N 3.16Å
215	M	93.9	Very high	95.3	Very high	63 Å²	63	68.7 Å²	68.7	31%	0.31	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-53.1	137.9	178.7	-68.7	-62.8	-65.7	0	0	111.2	E125 F389 M393 V406	E125-M215 HydrophobicContact CB-SD 4.43Å; E125-M215 HydrophobicContact CG-CE 4.05Å; E125-M215 HydrophobicContact CG-SD 3.78Å; M215-F389 HydrophobicContact CG-CE2 3.99Å; M215-F389 HydrophobicContact CG-CZ 4.32Å; M215-F389 HydrophobicContact SD-CE2 4.03Å; M215-F389 HydrophobicContact SD-CZ 3.74Å; M215-M393 HydrophobicContact CG-CE 4.43Å; M215-M393 HydrophobicContact CG-SD 4.37Å; M215-M393 HydrophobicContact SD-CE 4.14Å; M215-V406 HydrophobicContact CE-CB 4.01Å; M215-V406 HydrophobicContact CE-CG1 4.04Å
216	V	95.6	Very high	95.1	Very high	7 Å²	7	72.3 Å²	72.3	4%	0.042	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-77.4	130.1	169.4	175.5	0	0	0	0	108.8	T194 K197 C200 Y208 G214 C221	T194-V216 WeakPolarHBondContact O-CG1 3.09Å; K197-V216 HydrophobicContact CD-CG2 3.75Å; C200-V216 HydrophobicContact CB-CG1 3.99Å; C200-V216 HydrophobicContact CB-CG2 4.45Å; Y208-V216 HydrophobicContact CD2-CG1 4.26Å; Y208-V216 HydrophobicContact CE2-CG1 3.81Å; G214-V216 PolarHBondContact O-N 3.16Å; V216-C221 HydrophobicContact CG1-CB 3.81Å
217	D	94.6	Very high	95.1	Very high	72 Å²	72	68.7 Å²	68.7	39%	0.385	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-81.5	120.6	169.6	-173.5	-30.5	0	0	0	108.9	Y208 K219 V220 C221	Y208-D217 VanDerWaalsContact OH-CB 3.26Å; Y208-D217 WeakPolarHBondContact OH-CB 3.16Å; Y208-D217 PolarHBondContact OH-N 3.4Å; D217-K219 PolarHBondContact O-N 3.45Å; D217-K219 WeakPolarHBondContact OD1-CB 3.2Å; D217-K219 PolarHBondContact OD1-N 3.14Å; D217-V220 HydrophobicContact CB-CB 4.22Å; D217-V220 HydrophobicContact CB-CG2 3.86Å; D217-V220 PolarHBondContact O-N 3.18Å; D217-V220 VanDerWaalsContact O-N 3.12Å; D217-C221 PolarHBondContact O-N 3.41Å
218	D	94.1	Very high	95	Very high	54 Å²	54	69.6 Å²	69.6	29%	0.289	35%	0.35	S	S	.	.	H	α-helix	trans	-60.6	-33	-178	83.7	-42.8	0	0	0	112.3	L195 V220 K222	L195-D218 HydrophobicContact CD2-CB 3.88Å; D218-V220 VanDerWaalsContact C-N 3.32Å; D218-K222 VanDerWaalsContact O-CB 3.26Å; D218-K222 WeakPolarHBondContact O-CB 3.26Å; D218-K222 VanDerWaalsContact O-CD 3.3Å; D218-K222 WeakPolarHBondContact O-CD 3.45Å; D218-K222 WeakPolarHBondContact O-CG 3.5Å; D218-K222 PolarHBondContact O-N 3.01Å; D218-K222 IonicContact OD2-NZ 3.84Å; D218-K222 PolarHBondContact OD2-NZ 3.13Å
219	K	95	Very high	94.9	Very high	150 Å²	150	67.9 Å²	67.9	65%	0.652	34%	0.344	S	S	*	.	H	α-helix	trans	-71.1	-31.1	179.6	-60.8	179.1	-174.7	171.5	0	112	D217	D217-K219 PolarHBondContact O-N 3.45Å; D217-K219 WeakPolarHBondContact OD1-CB 3.2Å; D217-K219 PolarHBondContact OD1-N 3.14Å
220	V	96.5	Very high	94.9	Very high	56 Å²	56	68.3 Å²	68.3	34%	0.339	35%	0.346	S	S	.	.	H	α-helix	trans	-76.2	-51.5	176.7	-179.1	0	0	0	0	109	A207 Y208 D217 D218 K222 K223	A207-V220 HydrophobicContact CB-CG1 3.97Å; Y208-V220 HydrophobicContact CE2-CB 4.13Å; Y208-V220 HydrophobicContact CE2-CG1 3.89Å; D217-V220 HydrophobicContact CB-CB 4.22Å; D217-V220 HydrophobicContact CB-CG2 3.86Å; D217-V220 PolarHBondContact O-N 3.18Å; D217-V220 VanDerWaalsContact O-N 3.12Å; D218-V220 VanDerWaalsContact C-N 3.32Å; V220-K222 VanDerWaalsContact C-N 3.29Å; V220-K222 PolarHBondContact O-N 3.13Å; V220-K223 WeakPolarHBondContact O-CB 3.4Å; V220-K223 PolarHBondContact O-N 2.82Å
221	C	96.4	Very high	95.1	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67.3	-27.3	-177.6	-174.3	0	0	0	0	113.6	T194 C200 V216 D217 K223 C224	T194-C221 WeakPolarHBondContact O-CB 3.45Å; C200-C221 HydrophobicContact CB-CB 3.78Å; C200-C221 WeakPolarHBondContact CB-SG 3.39Å; C200-C221 WeakPolarHBondContact SG-CB 3.32Å; C200-C221 CovalentContact SG-SG 2.02Å; C200-C221 PolarHBondContact SG-SG 3.12Å; V216-C221 HydrophobicContact CG1-CB 3.81Å; D217-C221 PolarHBondContact O-N 3.41Å; C221-K223 PolarHBondContact O-N 2.76Å; C221-K223 VanDerWaalsContact O-N 3.07Å; C221-C224 WeakPolarHBondContact O-CB 3.44Å; C221-C224 PolarHBondContact O-N 3.1Å; C221-C224 PolarHBondContact O-SG 3.31Å
222	K	95.8	Very high	95.3	Very high	122 Å²	122	63.4 Å²	63.4	53%	0.53	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.9	171.5	-83.2	167.2	-178.2	164.5	0	114.3	T194 D218 V220 C224	T194-K222 HydrophobicContact CG2-CG 3.66Å; D218-K222 VanDerWaalsContact O-CB 3.26Å; D218-K222 WeakPolarHBondContact O-CB 3.26Å; D218-K222 VanDerWaalsContact O-CD 3.3Å; D218-K222 WeakPolarHBondContact O-CD 3.45Å; D218-K222 WeakPolarHBondContact O-CG 3.5Å; D218-K222 PolarHBondContact O-N 3.01Å; D218-K222 IonicContact OD2-NZ 3.84Å; D218-K222 PolarHBondContact OD2-NZ 3.13Å; V220-K222 VanDerWaalsContact C-N 3.29Å; V220-K222 PolarHBondContact O-N 3.13Å; K222-C224 VanDerWaalsContact C-N 3.34Å
223	K	96.4	Very high	95.4	Very high	177 Å²	177	62.3 Å²	62.3	77%	0.77	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.2	176.3	-58.5	177.6	-177.5	179.9	0	113	V220 C221	V220-K223 WeakPolarHBondContact O-CB 3.4Å; V220-K223 PolarHBondContact O-N 2.82Å; C221-K223 PolarHBondContact O-N 2.76Å; C221-K223 VanDerWaalsContact O-N 3.07Å
224	C	96.1	Very high	95.4	Very high	8 Å²	8	64.6 Å²	64.6	5%	0.054	33%	0.326	C	S	.	.	S	Bend	trans	-63	146	175.2	-64.9	0	0	0	0	110.9	L188 C205 C221 K222	L188-C224 WeakPolarHBondContact CD1-O 3.42Å; C205-C224 HydrophobicContact CB-CB 3.61Å; C205-C224 WeakPolarHBondContact CB-SG 3.38Å; C205-C224 WeakPolarHBondContact SG-CB 3.37Å; C205-C224 CovalentContact SG-SG 2.01Å; C205-C224 PolarHBondContact SG-SG 2.56Å; C221-C224 WeakPolarHBondContact O-CB 3.44Å; C221-C224 PolarHBondContact O-N 3.1Å; C221-C224 PolarHBondContact O-SG 3.31Å; K222-C224 VanDerWaalsContact C-N 3.34Å
225	P	94.3	Very high	95.5	Very high	71 Å²	71	63.9 Å²	63.9	46%	0.461	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-65.6	136.9	172.6	26.2	-32.6	0	0	0	110.6	Q227	P225-Q227 PolarHBondContact O-N 3.12Å
226	P	93.6	Very high	95.7	Very high	84 Å²	84	60.9 Å²	60.9	55%	0.545	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-61.6	124.1	171.2	-16.9	28.2	0	0	0	110.3	T186 L188	T186-P226 HydrophobicContact CG2-CB 3.93Å; L188-P226 HydrophobicContact CD1-CB 4.34Å; L188-P226 HydrophobicContact CD1-CG 4.15Å
227	Q	95.6	Very high	95.7	Very high	40 Å²	40	65 Å²	65	19%	0.187	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-98.1	154.1	177.8	-58.5	-63.7	-14.9	0	0	111	T186 S187 L204 P225 L231	T186-Q227 CarbonylContact C-O 3.55Å; T186-Q227 VanDerWaalsContact CA-O 3.27Å; T186-Q227 WeakPolarHBondContact CA-O 3.46Å; T186-Q227 WeakPolarHBondContact CB-O 3.33Å; S187-Q227 PolarHBondContact N-O 2.84Å; S187-Q227 WeakPolarHBondContact OG-CB 3.44Å; S187-Q227 PolarHBondContact OG-N 3.01Å; S187-Q227 VanDerWaalsContact OG-N 3.09Å; L204-Q227 HydrophobicContact CB-CG 4.18Å; L204-Q227 HydrophobicContact CD2-CB 4.24Å; L204-Q227 HydrophobicContact CD2-CG 4.05Å; L204-Q227 PolarHBondContact O-NE2 3.4Å; P225-Q227 PolarHBondContact O-N 3.12Å; Q227-L231 HydrophobicContact CB-CD1 4.45Å; Q227-L231 VanDerWaalsContact OE1-CD1 3.31Å
228	S	94.6	Very high	95.8	Very high	57 Å²	57	68 Å²	68	40%	0.399	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-64.6	151.6	171.5	72.2	0	0	0	0	110.4	R230 L231 L232	S228-R230 PolarHBondContact O-N 2.73Å; S228-L231 PolarHBondContact O-N 3.11Å; S228-L231 WeakPolarHBondContact OG-CG 3.46Å; S228-L231 PolarHBondContact OG-N 2.65Å; S228-L232 PolarHBondContact O-N 3.09Å
229	L	94.6	Very high	95.9	Very high	11 Å²	11	66 Å²	66	6%	0.058	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-38.1	173.8	-73.1	179.7	0	0	0	111.4	L171 F174 F185 L231 L232 E233	L171-L229 HydrophobicContact CB-CB 4.26Å; L171-L229 HydrophobicContact CB-CD1 4.48Å; L171-L229 HydrophobicContact CB-CD2 4.21Å; L171-L229 WeakPolarHBondContact O-CD1 3.2Å; F174-L229 HydrophobicContact CB-CD1 4.38Å; F185-L229 HydrophobicContact CB-CD1 4.09Å; F185-L229 HydrophobicContact CD1-CD1 3.7Å; F185-L229 HydrophobicContact CD1-CD2 3.79Å; F185-L229 HydrophobicContact CD1-CG 3.99Å; F185-L229 HydrophobicContact CE1-CD2 4.14Å; F185-L229 HydrophobicContact CG-CD1 4.25Å; L229-L231 VanDerWaalsContact C-N 3.33Å; L229-L231 PolarHBondContact O-N 3.39Å; L229-L232 CarbonylContact O-C 3.52Å; L229-L232 WeakPolarHBondContact O-CA 3.43Å; L229-L232 WeakPolarHBondContact O-CB 3.31Å; L229-L232 PolarHBondContact O-N 2.87Å; L229-E233 WeakPolarHBondContact O-CG 3.29Å; L229-E233 PolarHBondContact O-N 3.18Å
230	R	95.2	Very high	95.9	Very high	170 Å²	170	62.3 Å²	62.3	64%	0.642	31%	0.308	S	S	*	.	H	α-helix	trans	-53.9	-44.3	176.6	-179.3	178.7	168.1	165.1	1.9	113.4	S228 L232 E233 E234	S228-R230 PolarHBondContact O-N 2.73Å; R230-L232 VanDerWaalsContact C-N 3.26Å; R230-L232 PolarHBondContact O-N 2.74Å; R230-E233 WeakPolarHBondContact CA-OE2 3.41Å; R230-E233 WeakPolarHBondContact O-CB 3.45Å; R230-E233 PolarHBondContact O-N 3.06Å; R230-E234 IonicContact CZ-OE1 2.65Å; R230-E234 IonicContact NE-OE1 2.7Å; R230-E234 PolarHBondContact NE-OE1 3.23Å; R230-E234 IonicContact NH2-OE1 2.71Å; R230-E234 WeakPolarHBondContact O-CG 3.41Å; R230-E234 PolarHBondContact O-N 2.9Å
231	L	96.3	Very high	95.9	Very high	71 Å²	71	60.3 Å²	60.3	37%	0.372	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-35	176.9	-73.2	173.4	0	0	0	112	L204 Q227 S228 L229 E235	L204-L231 HydrophobicContact CD2-CB 4.06Å; Q227-L231 HydrophobicContact CB-CD1 4.45Å; Q227-L231 VanDerWaalsContact OE1-CD1 3.31Å; S228-L231 PolarHBondContact O-N 3.11Å; S228-L231 WeakPolarHBondContact OG-CG 3.46Å; S228-L231 PolarHBondContact OG-N 2.65Å; L229-L231 VanDerWaalsContact C-N 3.33Å; L229-L231 PolarHBondContact O-N 3.39Å; L231-E235 PolarHBondContact O-N 3.43Å
232	L	96.8	Very high	96	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-73.6	-32.4	175.2	-176.7	61.7	0	0	0	112.2	F134 L171 L190 V198 V199 L204 S228 L229 R230 E235 C236	F134-L232 HydrophobicContact CE2-CD1 3.68Å; F134-L232 HydrophobicContact CE2-CG 4.39Å; F134-L232 HydrophobicContact CZ-CD1 3.75Å; F134-L232 HydrophobicContact CZ-CG 4.03Å; L171-L232 HydrophobicContact CD1-CB 3.77Å; L171-L232 HydrophobicContact CD1-CD2 3.7Å; L171-L232 HydrophobicContact CD1-CG 3.5Å; L171-L232 VanDerWaalsContact CD1-CG 3.5Å; L190-L232 HydrophobicContact CD1-CD2 3.33Å; V198-L232 HydrophobicContact CG1-CD1 4.47Å; V199-L232 HydrophobicContact CG2-CD1 4.2Å; V199-L232 HydrophobicContact CG2-CD2 4.35Å; L204-L232 HydrophobicContact CD1-CD1 3.45Å; L204-L232 VanDerWaalsContact CD1-CD1 3.45Å; S228-L232 PolarHBondContact O-N 3.09Å; L229-L232 CarbonylContact O-C 3.52Å; L229-L232 WeakPolarHBondContact O-CA 3.43Å; L229-L232 WeakPolarHBondContact O-CB 3.31Å; L229-L232 PolarHBondContact O-N 2.87Å; R230-L232 VanDerWaalsContact C-N 3.26Å; R230-L232 PolarHBondContact O-N 2.74Å; L232-E235 PolarHBondContact O-N 3.36Å; L232-C236 VanDerWaalsContact O-CB 3.31Å; L232-C236 WeakPolarHBondContact O-CB 3.42Å; L232-C236 PolarHBondContact O-N 2.71Å
233	E	97.5	Very high	96.1	Very high	41 Å²	41	54.5 Å²	54.5	19%	0.192	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-47.9	171.4	-63	173.4	156.8	0	0	110.2	C169 L171 S172 L229 R230 E235 C236 L237	C169-E233 WeakPolarHBondContact O-CB 3.35Å; C169-E233 WeakPolarHBondContact O-CG 3.43Å; L171-E233 WeakPolarHBondContact CA-OE1 3.26Å; L171-E233 HydrophobicContact CB-CG 3.69Å; L171-E233 WeakPolarHBondContact CB-OE1 3.39Å; L171-E233 HydrophobicContact CD1-CB 4.47Å; L171-E233 HydrophobicContact CD1-CG 3.64Å; L171-E233 HydrophobicContact CG-CG 3.71Å; L171-E233 PolarHBondContact N-OE1 3.26Å; S172-E233 PolarHBondContact N-OE1 3.39Å; S172-E233 VanDerWaalsContact N-OE1 3.13Å; L229-E233 WeakPolarHBondContact O-CG 3.29Å; L229-E233 PolarHBondContact O-N 3.18Å; R230-E233 WeakPolarHBondContact CA-OE2 3.41Å; R230-E233 WeakPolarHBondContact O-CB 3.45Å; R230-E233 PolarHBondContact O-N 3.06Å; E233-E235 VanDerWaalsContact C-N 3.28Å; E233-E235 PolarHBondContact O-N 3.27Å; E233-C236 WeakPolarHBondContact O-CB 3.41Å; E233-C236 PolarHBondContact O-N 3.3Å; E233-C236 VanDerWaalsContact O-N 3.14Å; E233-L237 VanDerWaalsContact O-CG 3.29Å; E233-L237 WeakPolarHBondContact O-CG 3.3Å; E233-L237 PolarHBondContact O-N 3.3Å
234	E	97	Very high	96.3	Very high	79 Å²	79	46 Å²	46	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-58.8	-38.7	175.6	-72.3	170.8	-170.2	0	0	111.9	R230	R230-E234 IonicContact CZ-OE1 2.65Å; R230-E234 IonicContact NE-OE1 2.7Å; R230-E234 PolarHBondContact NE-OE1 3.23Å; R230-E234 IonicContact NH2-OE1 2.71Å; R230-E234 WeakPolarHBondContact O-CG 3.41Å; R230-E234 PolarHBondContact O-N 2.9Å
235	E	96.6	Very high	96.4	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-68.9	-45.6	172.9	-172.6	58.1	-156.7	0	0	111.9	V198 L204 L231 L232 E233 L237 K238 Y239	V198-E235 HydrophobicContact CG1-CG 3.9Å; L204-E235 HydrophobicContact CD1-CB 4.47Å; L204-E235 HydrophobicContact CD1-CG 4.42Å; L231-E235 PolarHBondContact O-N 3.43Å; L232-E235 PolarHBondContact O-N 3.36Å; E233-E235 VanDerWaalsContact C-N 3.28Å; E233-E235 PolarHBondContact O-N 3.27Å; E235-L237 PolarHBondContact O-N 3.45Å; E235-K238 WeakPolarHBondContact O-CB 3.25Å; E235-K238 PolarHBondContact O-N 3.47Å; E235-K238 VanDerWaalsContact O-N 3.1Å; E235-K238 WeakPolarHBondContact OE2-CD 3.38Å; E235-K238 WeakPolarHBondContact OE2-CE 3.32Å; E235-K238 IonicContact OE2-NZ 3.84Å; E235-K238 PolarHBondContact OE2-NZ 3.29Å; E235-Y239 HydrophobicContact CG-CE2 4.08Å; E235-Y239 WeakPolarHBondContact O-CD2 3.38Å; E235-Y239 WeakPolarHBondContact O-CE2 3.35Å; E235-Y239 WeakPolarHBondContact OE1-CE2 3.47Å; E235-Y239 PolarHBondContact OE1-OH 3.3Å
236	C	97.5	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-54.3	-40	175.7	178.5	0	0	0	0	112	F134 C169 L232 E233 K238 Y239	F134-C236 HydrophobicContact CD1-CB 4.15Å; F134-C236 HydrophobicContact CD2-CB 3.92Å; F134-C236 HydrophobicContact CE1-CB 3.87Å; F134-C236 HydrophobicContact CE2-CB 3.63Å; F134-C236 HydrophobicContact CG-CB 4.17Å; F134-C236 HydrophobicContact CZ-CB 3.6Å; C169-C236 HydrophobicContact CB-CB 3.65Å; C169-C236 WeakPolarHBondContact CB-SG 3.47Å; C169-C236 WeakPolarHBondContact SG-CB 3.37Å; C169-C236 CovalentContact SG-SG 2.04Å; C169-C236 PolarHBondContact SG-SG 3.33Å; L232-C236 VanDerWaalsContact O-CB 3.31Å; L232-C236 WeakPolarHBondContact O-CB 3.42Å; L232-C236 PolarHBondContact O-N 2.71Å; E233-C236 WeakPolarHBondContact O-CB 3.41Å; E233-C236 PolarHBondContact O-N 3.3Å; E233-C236 VanDerWaalsContact O-N 3.14Å; C236-K238 PolarHBondContact O-N 3.26Å; C236-K238 VanDerWaalsContact O-N 3.1Å; C236-Y239 PolarHBondContact O-N 2.88Å; C236-Y239 VanDerWaalsContact O-N 3.08Å
237	L	96.4	Very high	96.7	Very high	94 Å²	94	38.3 Å²	38.3	49%	0.492	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.1	-177.8	-71.9	172.5	0	0	0	113.7	R107 C169 E233 E235 Y239	R107-L237 PolarHBondContact NH2-O 2.89Å; C169-L237 HydrophobicContact CB-CD2 3.88Å; C169-L237 HydrophobicContact CB-CG 4.14Å; E233-L237 VanDerWaalsContact O-CG 3.29Å; E233-L237 WeakPolarHBondContact O-CG 3.3Å; E233-L237 PolarHBondContact O-N 3.3Å; E235-L237 PolarHBondContact O-N 3.45Å; L237-Y239 VanDerWaalsContact C-N 3.34Å
238	K	95.8	Very high	96.8	Very high	133 Å²	133	36.7 Å²	36.7	58%	0.578	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.3	178.5	-58.7	173.7	-168.4	166.5	0	113.3	E235 C236	E235-K238 WeakPolarHBondContact O-CB 3.25Å; E235-K238 PolarHBondContact O-N 3.47Å; E235-K238 VanDerWaalsContact O-N 3.1Å; E235-K238 WeakPolarHBondContact OE2-CD 3.38Å; E235-K238 WeakPolarHBondContact OE2-CE 3.32Å; E235-K238 IonicContact OE2-NZ 3.84Å; E235-K238 PolarHBondContact OE2-NZ 3.29Å; C236-K238 PolarHBondContact O-N 3.26Å; C236-K238 VanDerWaalsContact O-N 3.1Å
239	Y	95.9	Very high	96.9	Very high	12 Å²	12	34 Å²	34	5%	0.047	16%	0.157	C	C	.	.			trans	-88.3	139.6	-176.9	-68.9	-105.2	0	0	0	111	R107 P131 E132 V133 F134 V198 E235 C236 L237	R107-Y239 WeakPolarHBondContact CD-O 3.05Å; R107-Y239 PolarHBondContact NE-O 3.03Å; R107-Y239 VanDerWaalsContact NE-O 3.1Å; P131-Y239 WeakPolarHBondContact O-CE1 3.35Å; E132-Y239 WeakPolarHBondContact O-CD1 3.12Å; V133-Y239 VanDerWaalsContact C-CD1 3.41Å; F134-Y239 HydrophobicContact CB-CD1 3.97Å; F134-Y239 HydrophobicContact CB-CD2 3.97Å; F134-Y239 HydrophobicContact CB-CG 3.64Å; F134-Y239 HydrophobicContact CD2-CD2 4.01Å; F134-Y239 HydrophobicContact CD2-CE2 4.16Å; F134-Y239 HydrophobicContact CG-CD2 4.45Å; F134-Y239 VanDerWaalsContact N-CD1 3.26Å; V198-Y239 HydrophobicContact CG2-CE1 4.47Å; E235-Y239 HydrophobicContact CG-CE2 4.08Å; E235-Y239 WeakPolarHBondContact O-CD2 3.38Å; E235-Y239 WeakPolarHBondContact O-CE2 3.35Å; E235-Y239 WeakPolarHBondContact OE1-CE2 3.47Å; E235-Y239 PolarHBondContact OE1-OH 3.3Å; C236-Y239 PolarHBondContact O-N 2.88Å; C236-Y239 VanDerWaalsContact O-N 3.08Å; L237-Y239 VanDerWaalsContact C-N 3.34Å
240	N	94.6	Very high	97	Very high	73 Å²	73	34.2 Å²	34.2	39%	0.39	16%	0.158	S	C	.	.	S	Bend	trans	-88.2	-18.4	172.7	-57.4	-49.5	0	0	0	111.9	K105 R107 Q108	K105-N240 WeakPolarHBondContact CD-OD1 3.29Å; K105-N240 WeakPolarHBondContact CE-OD1 3.32Å; K105-N240 PolarHBondContact NZ-ND2 3.25Å; K105-N240 PolarHBondContact NZ-OD1 2.91Å; K105-N240 VanDerWaalsContact NZ-OD1 3.09Å; R107-N240 CarbonylContact C-O 3.53Å; R107-N240 WeakPolarHBondContact CA-O 3.46Å; R107-N240 WeakPolarHBondContact CB-O 3.07Å; Q108-N240 PolarHBondContact N-O 3.35Å
241	T	97.3	Very high	97	Very high	14 Å²	14	27.1 Å²	27.1	9%	0.086	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.1	-179.1	-56.8	0	0	0	0	110.6	Q108 I110 V133 F134 V243 L380	Q108-T241 WeakPolarHBondContact O-CA 3.25Å; I110-T241 HydrophobicContact CD1-CG2 4.27Å; V133-T241 HydrophobicContact CG2-CG2 4.15Å; F134-T241 PolarHBondContact N-O 2.86Å; T241-V243 HydrophobicContact CG2-CG2 4.2Å; T241-L380 HydrophobicContact CG2-CD2 4.25Å
242	I	98.4	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.3	175.4	-58.8	172.9	0	0	0	108.5	Q108 L109 I110 F134 Y167 I244	Q108-I242 PolarHBondContact O-N 2.89Å; L109-I242 HydrophobicContact CD2-CB 4.07Å; L109-I242 HydrophobicContact CD2-CD1 4.05Å; L109-I242 HydrophobicContact CD2-CG1 4.35Å; I110-I242 PolarHBondContact N-O 2.99Å; F134-I242 HydrophobicContact CB-CG1 4.3Å; F134-I242 HydrophobicContact CD1-CG2 4.31Å; F134-I242 WeakPolarHBondContact O-CA 3.46Å; Y167-I242 HydrophobicContact CD1-CB 4.21Å; Y167-I242 HydrophobicContact CD1-CG2 3.84Å; Y167-I242 HydrophobicContact CE1-CG2 4.08Å; I242-I244 HydrophobicContact CG2-CD1 4.36Å; I242-I244 HydrophobicContact CG2-CG1 4.07Å
243	V	98.8	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.7	177	179.5	0	0	0	0	109.1	I110 V112 F127 V133 F134 F135 L136 T241	I110-V243 HydrophobicContact CB-CG1 4.49Å; I110-V243 HydrophobicContact CB-CG2 3.99Å; I110-V243 HydrophobicContact CD1-CG2 4.04Å; I110-V243 HydrophobicContact CG2-CG1 4.32Å; I110-V243 HydrophobicContact CG2-CG2 4.45Å; I110-V243 WeakPolarHBondContact O-CA 3.46Å; V112-V243 HydrophobicContact CG2-CG1 3.99Å; F127-V243 HydrophobicContact CB-CB 4.3Å; F127-V243 HydrophobicContact CB-CG1 4Å; F127-V243 HydrophobicContact CB-CG2 4.32Å; F127-V243 HydrophobicContact CD1-CG1 4.21Å; F127-V243 HydrophobicContact CD1-CG2 3.76Å; F127-V243 HydrophobicContact CD2-CG1 4.03Å; F127-V243 HydrophobicContact CE1-CG2 4.31Å; F127-V243 HydrophobicContact CG-CB 4.39Å; F127-V243 HydrophobicContact CG-CG1 3.81Å; F127-V243 HydrophobicContact CG-CG2 4.13Å; V133-V243 HydrophobicContact CG1-CB 3.69Å; V133-V243 HydrophobicContact CG1-CG2 3.41Å; V133-V243 VanDerWaalsContact CG1-CG2 3.41Å; V133-V243 HydrophobicContact CG2-CG2 4.42Å; F134-V243 PolarHBondContact O-N 3.18Å; F135-V243 CarbonylContact C-O 2.73Å; F135-V243 WeakPolarHBondContact CA-O 3.21Å; F135-V243 HydrophobicContact CD2-CB 4.12Å; F135-V243 HydrophobicContact CD2-CG1 3.97Å; F135-V243 HydrophobicContact CE2-CG1 4.23Å; L136-V243 PolarHBondContact N-O 3.49Å; T241-V243 HydrophobicContact CG2-CG2 4.2Å
244	I	98.8	Very high	97.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.7	175.2	-58.3	-178.7	0	0	0	108.2	I110 Y111 V112 L136 P139 L163 L166 Y167 I242	I110-I244 PolarHBondContact O-N 3.48Å; Y111-I244 HydrophobicContact CD2-CB 4.3Å; Y111-I244 HydrophobicContact CD2-CG2 4.32Å; Y111-I244 WeakPolarHBondContact CD2-O 3.44Å; Y111-I244 HydrophobicContact CE2-CG2 4.25Å; V112-I244 PolarHBondContact N-O 3.38Å; L136-I244 HydrophobicContact CB-CG1 4.21Å; L136-I244 HydrophobicContact CD1-CD1 4.15Å; L136-I244 HydrophobicContact CD1-CG1 4.24Å; P139-I244 HydrophobicContact CG-CG2 3.65Å; L163-I244 HydrophobicContact CD1-CB 4.04Å; L163-I244 HydrophobicContact CD1-CD1 3.6Å; L163-I244 HydrophobicContact CD1-CG1 4.37Å; L163-I244 HydrophobicContact CD1-CG2 3.87Å; L166-I244 HydrophobicContact CB-CD1 3.63Å; L166-I244 HydrophobicContact CD1-CD1 4.21Å; Y167-I244 HydrophobicContact CD1-CD1 3.83Å; Y167-I244 HydrophobicContact CD1-CG1 4.38Å; Y167-I244 HydrophobicContact CE1-CB 4.32Å; Y167-I244 HydrophobicContact CE1-CD1 3.6Å; Y167-I244 HydrophobicContact CE1-CG1 3.77Å; Y167-I244 HydrophobicContact CG-CD1 4.42Å; I242-I244 HydrophobicContact CG2-CD1 4.36Å; I242-I244 HydrophobicContact CG2-CG1 4.07Å
245	K	98.6	Very high	97.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.9	173.6	178.5	-97.7	-172.3	160.8	0	109.9	V112 S120 F135 L136 Y137 E138	V112-K245 HydrophobicContact CB-CB 4.24Å; V112-K245 HydrophobicContact CB-CG 4.29Å; V112-K245 HydrophobicContact CG1-CG 4.29Å; S120-K245 VanDerWaalsContact C-CE 3.49Å; S120-K245 VanDerWaalsContact O-CE 3.25Å; S120-K245 WeakPolarHBondContact O-CE 3.31Å; S120-K245 WeakPolarHBondContact OG-CE 3.21Å; S120-K245 PolarHBondContact OG-NZ 2.85Å; S120-K245 VanDerWaalsContact OG-NZ 3.13Å; F135-K245 HydrophobicContact CE2-CB 3.77Å; F135-K245 HydrophobicContact CZ-CB 3.86Å; L136-K245 PolarHBondContact O-N 3.01Å; Y137-K245 HydrophobicContact CD2-CD 4.28Å; Y137-K245 HydrophobicContact CE2-CD 4.17Å; Y137-K245 VanDerWaalsContact CZ-NZ 3.33Å; Y137-K245 PolarHBondContact OH-NZ 2.99Å; Y137-K245 VanDerWaalsContact OH-NZ 3.11Å; E138-K245 WeakPolarHBondContact CA-O 3.31Å; E138-K245 HydrophobicContact CG-CD 3.65Å; E138-K245 PolarHBondContact N-O 3.32Å; E138-K245 IonicContact OE1-NZ 2.72Å; E138-K245 PolarHBondContact OE1-NZ 3.31Å
246	G	97.8	Very high	97.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.1	-177.6	0	0	0	0	0	113.5	Y111 V112 T114	Y111-G246 WeakPolarHBondContact OH-CA 3.14Å; V112-G246 PolarHBondContact O-N 3.39Å; V112-G246 VanDerWaalsContact O-O 3.11Å; T114-G246 PolarHBondContact N-O 3.22Å
247	V	97.4	Very high	97.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.137	C	C	.	.	S	Bend	trans	-114.6	3.2	177.4	-61.8	0	0	0	0	112.7	T114 W116 E138	T114-V247 HydrophobicContact CG2-CG1 3.74Å; T114-V247 WeakPolarHBondContact O-CA 3.48Å; W116-V247 HydrophobicContact CD2-CB 4.07Å; W116-V247 HydrophobicContact CD2-CG2 3.92Å; W116-V247 HydrophobicContact CG-CB 4.19Å; W116-V247 HydrophobicContact CG-CG2 4Å; W116-V247 WeakPolarHBondContact CH2-O 3.22Å; W116-V247 HydrophobicContact CZ2-CG2 4.09Å; W116-V247 WeakPolarHBondContact CZ3-O 3.42Å; E138-V247 VanDerWaalsContact CD-CG2 3.48Å; E138-V247 HydrophobicContact CG-CG1 4.46Å; E138-V247 HydrophobicContact CG-CG2 4.12Å; E138-V247 WeakPolarHBondContact OE2-CG2 3.45Å
248	R	97	Very high	97.4	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.019	12%	0.115	C	C	.	.	S	Bend	trans	-116.7	-10.1	-165.8	-78	170.8	-176.6	86.3	11.9	114	W116 E138 M140 W141 W144 Q156 E292	W116-R248 HydrophobicContact CH2-CG 3.86Å; W116-R248 HydrophobicContact CZ2-CG 3.42Å; W116-R248 VanDerWaalsContact CZ2-CG 3.42Å; E138-R248 IonicContact OE2-CZ 3Å; E138-R248 IonicContact OE2-NH1 3.3Å; E138-R248 PolarHBondContact OE2-NH1 3.16Å; E138-R248 IonicContact OE2-NH2 3.32Å; M140-R248 HydrophobicContact CB-CB 4.08Å; M140-R248 WeakPolarHBondContact O-CD 3.22Å; W141-R248 VanDerWaalsContact CD1-NH2 3.29Å; W144-R248 VanDerWaalsContact CD1-CD 3.49Å; W144-R248 HydrophobicContact CD2-CG 3.83Å; W144-R248 HydrophobicContact CE3-CG 4.5Å; W144-R248 VanDerWaalsContact CG-CD 3.49Å; W144-R248 HydrophobicContact CG-CG 4.02Å; W144-R248 HydrophobicContact CZ2-CB 4.19Å; W144-R248 HydrophobicContact CZ2-CG 4.06Å; Q156-R248 PolarHBondContact NE2-O 3.27Å; R248-E292 IonicContact NH2-OE1 3.48Å; R248-E292 PolarHBondContact NH2-OE1 2.98Å
249	I	97.3	Very high	97.4	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	9%	0.089	C	C	.	.			trans	-85.5	122	160.5	-62.5	-69.9	0	0	0	106.1	Y111 L113 M140 Q156 A159 D251 V254 L255	Y111-I249 HydrophobicContact CE1-CB 3.92Å; Y111-I249 HydrophobicContact CE1-CG1 4.14Å; Y111-I249 HydrophobicContact CE1-CG2 4.38Å; Y111-I249 VanDerWaalsContact OH-CB 3.28Å; Y111-I249 WeakPolarHBondContact OH-CB 3.32Å; Y111-I249 WeakPolarHBondContact OH-CG1 3.49Å; L113-I249 HydrophobicContact CD1-CB 4.19Å; L113-I249 HydrophobicContact CD1-CG2 4.05Å; L113-I249 VanDerWaalsContact CD1-O 3.25Å; L113-I249 WeakPolarHBondContact CD1-O 3.33Å; M140-I249 HydrophobicContact CE-CG1 4.19Å; Q156-I249 VanDerWaalsContact OE1-CA 3.28Å; A159-I249 HydrophobicContact CB-CD1 3.45Å; A159-I249 VanDerWaalsContact CB-CD1 3.45Å; A159-I249 HydrophobicContact CB-CG1 4.45Å; I249-D251 WeakPolarHBondContact CG2-O 3.34Å; I249-V254 HydrophobicContact CD1-CG1 3.96Å; I249-V254 HydrophobicContact CG2-CB 4.19Å; I249-V254 HydrophobicContact CG2-CG1 4.43Å; I249-L255 HydrophobicContact CG2-CD2 4.27Å; I249-L255 HydrophobicContact CG2-CG 4.38Å
250	L	95.8	Very high	97.5	Very high	16 Å²	16	20.8 Å²	20.8	8%	0.084	11%	0.114	C	C	.	.			trans	-96.6	-23	-171.8	-59.2	-174.9	0	0	0	113	W116 A152 V153 R336	W116-L250 HydrophobicContact CH2-CD2 4.48Å; W116-L250 HydrophobicContact CZ3-CD2 4.14Å; A152-L250 HydrophobicContact CB-CD1 3.83Å; V153-L250 HydrophobicContact CG2-CD1 4.45Å; L250-R336 HydrophobicContact CB-CB 3.98Å; L250-R336 HydrophobicContact CB-CG 4.02Å; L250-R336 HydrophobicContact CD1-CG 4.38Å; L250-R336 WeakPolarHBondContact O-CB 3.41Å
251	D	95.6	Very high	97.5	Very high	21 Å²	21	19.4 Å²	19.4	11%	0.112	11%	0.107	C	C	.	.			trans	-135.9	128.6	-174.5	-170.4	-25.4	0	0	0	109.8	I249 N253 V254 T340	I249-D251 WeakPolarHBondContact CG2-O 3.34Å; D251-N253 PolarHBondContact O-N 3.48Å; D251-N253 WeakPolarHBondContact OD1-CB 3.11Å; D251-N253 PolarHBondContact OD1-N 2.84Å; D251-N253 PolarHBondContact OD1-ND2 3.07Å; D251-V254 HydrophobicContact CB-CG2 4.24Å; D251-V254 VanDerWaalsContact O-CB 3.28Å; D251-V254 WeakPolarHBondContact O-CB 3.28Å; D251-V254 WeakPolarHBondContact O-CG2 3.47Å; D251-V254 PolarHBondContact O-N 2.92Å; D251-V254 VanDerWaalsContact O-N 3.1Å; D251-T340 WeakPolarHBondContact CA-OG1 3.24Å
252	V	98	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-58.2	-28.5	177.3	72.6	0	0	0	0	112.5	L113 V254 L255 V268 T340 T343 W350 L351 Y355	L113-V252 HydrophobicContact CD2-CB 3.99Å; L113-V252 HydrophobicContact CD2-CG2 4.36Å; V252-V254 PolarHBondContact O-N 3.42Å; V252-V254 VanDerWaalsContact O-N 3.16Å; V252-L255 WeakPolarHBondContact O-CB 3.39Å; V252-L255 PolarHBondContact O-N 3.28Å; V252-V268 HydrophobicContact CG2-CG1 4.39Å; V252-V268 HydrophobicContact CG2-CG2 4.48Å; V252-T340 HydrophobicContact CB-CG2 3.8Å; V252-T340 HydrophobicContact CG1-CG2 3.79Å; V252-T340 PolarHBondContact N-OG1 2.94Å; V252-T340 VanDerWaalsContact N-OG1 3.07Å; V252-T343 HydrophobicContact CG1-CG2 4.12Å; V252-W350 HydrophobicContact CG2-CZ3 4.48Å; V252-L351 HydrophobicContact CG2-CD1 4.08Å; V252-Y355 HydrophobicContact CG2-CD2 4.47Å
253	N	98	Very high	96.8	Very high	62 Å²	62	28.6 Å²	28.6	33%	0.332	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-63.2	-22.1	179.2	-62.3	-59.3	0	0	0	112.4	D251 L255 A256 T343	D251-N253 PolarHBondContact O-N 3.48Å; D251-N253 WeakPolarHBondContact OD1-CB 3.11Å; D251-N253 PolarHBondContact OD1-N 2.84Å; D251-N253 PolarHBondContact OD1-ND2 3.07Å; N253-L255 PolarHBondContact O-N 3.2Å; N253-A256 WeakPolarHBondContact O-CB 3.32Å; N253-A256 PolarHBondContact O-N 2.91Å; N253-T343 PolarHBondContact ND2-OG1 2.92Å; N253-T343 WeakPolarHBondContact OD1-CG2 3.34Å; N253-T343 PolarHBondContact OD1-OG1 2.02Å
254	V	98	Very high	96.5	Very high	30 Å²	30	29 Å²	29	18%	0.182	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-62.8	-26.4	172.8	175.4	0	0	0	0	111.5	Q156 R160 I249 D251 V252	Q156-V254 HydrophobicContact CB-CG1 4.13Å; Q156-V254 HydrophobicContact CB-CG2 3.93Å; Q156-V254 HydrophobicContact CG-CG2 4.26Å; R160-V254 HydrophobicContact CB-CG1 3.88Å; R160-V254 VanDerWaalsContact CD-O 3.23Å; R160-V254 WeakPolarHBondContact CD-O 3.24Å; R160-V254 HydrophobicContact CG-CG1 4.44Å; R160-V254 WeakPolarHBondContact CG-O 3.42Å; I249-V254 HydrophobicContact CD1-CG1 3.96Å; I249-V254 HydrophobicContact CG2-CB 4.19Å; I249-V254 HydrophobicContact CG2-CG1 4.43Å; D251-V254 HydrophobicContact CB-CG2 4.24Å; D251-V254 VanDerWaalsContact O-CB 3.28Å; D251-V254 WeakPolarHBondContact O-CB 3.28Å; D251-V254 WeakPolarHBondContact O-CG2 3.47Å; D251-V254 PolarHBondContact O-N 2.92Å; D251-V254 VanDerWaalsContact O-N 3.1Å; V252-V254 PolarHBondContact O-N 3.42Å; V252-V254 VanDerWaalsContact O-N 3.16Å
255	L	98.4	Very high	96.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-85.2	-9.1	-178.5	-55.2	179.1	0	0	0	113.3	Y111 L163 I249 V252 N253 P257 L258 M259 V268	Y111-L255 HydrophobicContact CD1-CD1 3.66Å; Y111-L255 HydrophobicContact CE1-CD1 4.27Å; Y111-L255 HydrophobicContact CG-CD1 4.31Å; L163-L255 HydrophobicContact CD2-CD2 3.56Å; I249-L255 HydrophobicContact CG2-CD2 4.27Å; I249-L255 HydrophobicContact CG2-CG 4.38Å; V252-L255 WeakPolarHBondContact O-CB 3.39Å; V252-L255 PolarHBondContact O-N 3.28Å; N253-L255 PolarHBondContact O-N 3.2Å; L255-P257 VanDerWaalsContact C-CD 3.49Å; L255-L258 PolarHBondContact O-N 3.16Å; L255-M259 HydrophobicContact CB-CG 4.29Å; L255-M259 HydrophobicContact CB-SD 4.2Å; L255-M259 WeakPolarHBondContact O-CG 3.23Å; L255-M259 PolarHBondContact O-N 2.94Å; L255-V268 HydrophobicContact CD1-CG2 3.71Å
256	A	98.1	Very high	96.2	Very high	15 Å²	15	30.8 Å²	30.8	12%	0.124	18%	0.18	C	C	.	.	H	α-helix	trans	-50.5	-46.8	-175.6	0	0	0	0	0	113.2	N253 L258 M259 E260 W350	N253-A256 WeakPolarHBondContact O-CB 3.32Å; N253-A256 PolarHBondContact O-N 2.91Å; A256-L258 VanDerWaalsContact C-N 3.25Å; A256-L258 PolarHBondContact O-N 3.18Å; A256-M259 PolarHBondContact O-N 3.24Å; A256-E260 WeakPolarHBondContact O-CB 3.46Å; A256-E260 WeakPolarHBondContact O-CG 3.49Å; A256-E260 PolarHBondContact O-N 2.88Å; A256-W350 HydrophobicContact CB-CD2 4.05Å; A256-W350 HydrophobicContact CB-CE3 4.38Å; A256-W350 HydrophobicContact CB-CH2 4.11Å; A256-W350 HydrophobicContact CB-CZ2 3.73Å; A256-W350 HydrophobicContact CB-CZ3 4.38Å
257	P	97.9	Very high	96.2	Very high	64 Å²	64	31.9 Å²	31.9	42%	0.416	19%	0.185	S	C	.	.	H	α-helix	trans	-60.9	-31.2	178.5	-24.1	35.6	0	0	0	114.1	L255 D261	L255-P257 VanDerWaalsContact C-CD 3.49Å; P257-D261 PolarHBondContact O-N 3.35Å
258	L	97.4	Very high	96.3	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-80.6	-28.9	177.6	-83.3	59.7	0	0	0	111.7	R160 L163 Y167 L255 A256 L264 L266	R160-L258 HydrophobicContact CG-CD1 3.41Å; R160-L258 VanDerWaalsContact CG-CD1 3.41Å; R160-L258 HydrophobicContact CG-CD2 4.48Å; L163-L258 HydrophobicContact CB-CD2 4.01Å; L163-L258 HydrophobicContact CD2-CD2 3.84Å; L163-L258 HydrophobicContact CG-CD2 3.91Å; Y167-L258 HydrophobicContact CD2-CD2 4.49Å; L255-L258 PolarHBondContact O-N 3.16Å; A256-L258 VanDerWaalsContact C-N 3.25Å; A256-L258 PolarHBondContact O-N 3.18Å; L258-L264 HydrophobicContact CB-CD1 4.13Å; L258-L264 HydrophobicContact CG-CD1 4.12Å; L258-L266 HydrophobicContact CB-CD2 3.88Å; L258-L266 HydrophobicContact CD2-CD2 4.49Å
259	M	97.4	Very high	96.4	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.02	18%	0.183	C	C	.	.	H	α-helix	trans	-82.9	-23.9	179.9	-64.3	-170.6	74	0	0	112.7	L255 A256 L266 V268 W350 L351 K354	L255-M259 HydrophobicContact CB-CG 4.29Å; L255-M259 HydrophobicContact CB-SD 4.2Å; L255-M259 WeakPolarHBondContact O-CG 3.23Å; L255-M259 PolarHBondContact O-N 2.94Å; A256-M259 PolarHBondContact O-N 3.24Å; M259-L266 HydrophobicContact CG-CB 4.25Å; M259-L266 HydrophobicContact CG-CD2 3.8Å; M259-L266 HydrophobicContact CG-CG 4.09Å; M259-V268 HydrophobicContact CE-CG2 4.01Å; M259-V268 HydrophobicContact SD-CG2 3.74Å; M259-W350 HydrophobicContact CB-CB 4.34Å; M259-W350 HydrophobicContact CB-CE3 3.85Å; M259-W350 HydrophobicContact CE-CE3 4.3Å; M259-W350 HydrophobicContact CG-CE3 4.25Å; M259-W350 HydrophobicContact SD-CE3 3.6Å; M259-W350 HydrophobicContact SD-CZ3 3.58Å; M259-W350 VanDerWaalsContact SD-CZ3 3.58Å; M259-L351 HydrophobicContact CE-CD1 3.7Å; M259-L351 HydrophobicContact SD-CD1 3.93Å; M259-K354 HydrophobicContact CE-CB 3.66Å; M259-K354 HydrophobicContact CE-CD 4.22Å; M259-K354 PolarHBondContact O-NZ 3.05Å
260	E	96.4	Very high	96.5	Very high	123 Å²	123	32 Å²	32	58%	0.575	19%	0.185	S	C	*	.	H	α-helix	trans	-83.6	-22.8	173.1	-71.7	177	156.1	0	0	113	A256 P262 W350	A256-E260 WeakPolarHBondContact O-CB 3.46Å; A256-E260 WeakPolarHBondContact O-CG 3.49Å; A256-E260 PolarHBondContact O-N 2.88Å; E260-P262 WeakPolarHBondContact O-CD 3.49Å; E260-W350 HydrophobicContact CG-CB 3.51Å; E260-W350 HydrophobicContact CG-CG 3.94Å
261	D	94.6	Very high	96.6	Very high	44 Å²	44	31.3 Å²	31.3	24%	0.235	18%	0.181	C	C	.	.			trans	-63.5	115.1	177.1	-179	-13.2	0	0	0	110.7	R168 P257 S263 L264	R168-D261 IonicContact CZ-OD2 2.79Å; R168-D261 IonicContact NH2-OD2 3.65Å; R168-D261 PolarHBondContact NH2-OD2 3.4Å; P257-D261 PolarHBondContact O-N 3.35Å; D261-S263 PolarHBondContact O-N 3.15Å; D261-S263 WeakPolarHBondContact OD1-CB 3.25Å; D261-S263 PolarHBondContact OD1-N 2.98Å; D261-S263 PolarHBondContact OD1-OG 2.98Å; D261-S263 PolarHBondContact OD2-OG 3.11Å; D261-L264 HydrophobicContact CB-CB 4.35Å; D261-L264 HydrophobicContact CB-CD1 4.07Å; D261-L264 HydrophobicContact CB-CG 4.2Å; D261-L264 PolarHBondContact O-N 3.49Å; D261-L264 VanDerWaalsContact O-O 3.09Å
262	P	91	Very high	96.7	Very high	126 Å²	126	30.7 Å²	30.7	82%	0.818	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.8	-176.4	29	-35.9	0	0	0	113.3	E260	E260-P262 WeakPolarHBondContact O-CD 3.49Å
263	S	89.9	Confident	96.7	Very high	80 Å²	80	32 Å²	32	56%	0.559	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-10	173.7	72.6	0	0	0	0	113	R168 D261	R168-S263 PolarHBondContact NH2-OG 2.59Å; D261-S263 PolarHBondContact O-N 3.15Å; D261-S263 WeakPolarHBondContact OD1-CB 3.25Å; D261-S263 PolarHBondContact OD1-N 2.98Å; D261-S263 PolarHBondContact OD1-OG 2.98Å; D261-S263 PolarHBondContact OD2-OG 3.11Å
264	L	92.7	Very high	96.7	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.047	17%	0.169	C	C	.	.			trans	-116.9	125.5	-179.4	-59.4	178.7	0	0	0	111.5	L109 L258 D261 L266	L109-L264 HydrophobicContact CD1-CB 3.88Å; L109-L264 HydrophobicContact CD1-CD2 3.44Å; L109-L264 VanDerWaalsContact CD1-CD2 3.44Å; L109-L264 HydrophobicContact CD1-CG 4.21Å; L258-L264 HydrophobicContact CB-CD1 4.13Å; L258-L264 HydrophobicContact CG-CD1 4.12Å; D261-L264 HydrophobicContact CB-CB 4.35Å; D261-L264 HydrophobicContact CB-CD1 4.07Å; D261-L264 HydrophobicContact CB-CG 4.2Å; D261-L264 PolarHBondContact O-N 3.49Å; D261-L264 VanDerWaalsContact O-O 3.09Å; L264-L266 PolarHBondContact O-N 2.85Å
265	D	93.9	Very high	96.7	Very high	37 Å²	37	28.3 Å²	28.3	20%	0.198	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	66.7	170	-164.5	22	0	0	0	110.7	K106 L109	K106-D265 HydrophobicContact CG-CB 4.36Å; L109-D265 PolarHBondContact N-O 2.98Å; L109-D265 VanDerWaalsContact N-O 3.08Å
266	L	97.8	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.1	-177	-178.6	58.5	0	0	0	112.3	L109 Y167 L258 M259 L264	L109-L266 HydrophobicContact CB-CB 4.43Å; L109-L266 HydrophobicContact CB-CD1 3.99Å; L109-L266 WeakPolarHBondContact O-CA 3.5Å; Y167-L266 HydrophobicContact CE2-CD1 3.59Å; Y167-L266 HydrophobicContact CE2-CD2 4.11Å; Y167-L266 HydrophobicContact CE2-CG 4.47Å; Y167-L266 WeakPolarHBondContact OH-CD1 3.38Å; L258-L266 HydrophobicContact CB-CD2 3.88Å; L258-L266 HydrophobicContact CD2-CD2 4.49Å; M259-L266 HydrophobicContact CG-CB 4.25Å; M259-L266 HydrophobicContact CG-CD2 3.8Å; M259-L266 HydrophobicContact CG-CG 4.09Å; L264-L266 PolarHBondContact O-N 2.85Å
267	K	98.5	Very high	96.6	Very high	24 Å²	24	27.7 Å²	27.7	10%	0.104	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.7	166.1	-64.5	177.2	180	173.7	0	110.6	L109 I110 Y111 K354 F377 N379	L109-K267 PolarHBondContact O-N 3.32Å; I110-K267 WeakPolarHBondContact CA-O 3.37Å; Y111-K267 PolarHBondContact N-O 3.08Å; K267-K354 CarbonylContact C-O 3.49Å; K267-K354 WeakPolarHBondContact CA-O 3.42Å; K267-F377 HydrophobicContact CB-CE1 3.91Å; K267-F377 HydrophobicContact CB-CZ 4.02Å; K267-F377 HydrophobicContact CD-CE1 4.21Å; K267-F377 HydrophobicContact CD-CZ 4.21Å; K267-F377 HydrophobicContact CG-CZ 4.34Å; K267-F377 PolarHBondContact NZ-O 2.62Å; K267-N379 PolarHBondContact NZ-ND2 3.1Å; K267-N379 VanDerWaalsContact NZ-ND2 3.13Å
268	V	98.8	Very high	96.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.1	178.1	-179.8	0	0	0	0	109.8	Y111 L113 V252 L255 M259 K354 Y355 M356	Y111-V268 WeakPolarHBondContact O-CA 3.37Å; L113-V268 HydrophobicContact CB-CG1 3.79Å; L113-V268 HydrophobicContact CD2-CG1 4.19Å; V252-V268 HydrophobicContact CG2-CG1 4.39Å; V252-V268 HydrophobicContact CG2-CG2 4.48Å; L255-V268 HydrophobicContact CD1-CG2 3.71Å; M259-V268 HydrophobicContact CE-CG2 4.01Å; M259-V268 HydrophobicContact SD-CG2 3.74Å; V268-K354 PolarHBondContact N-O 3.44Å; V268-Y355 HydrophobicContact CB-CD2 4.1Å; V268-Y355 HydrophobicContact CG1-CD2 3.98Å; V268-Y355 HydrophobicContact CG1-CE2 4.3Å; V268-Y355 WeakPolarHBondContact O-CA 3.24Å; V268-M356 PolarHBondContact O-N 2.89Å
269	I	98.9	Very high	96.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	109.7	168.6	-58.8	171.8	0	0	0	107.1	I110 Y111 V112 L113 F123 F127 L271 M356 V358 V374 F377	I110-I269 HydrophobicContact CG2-CD1 3.64Å; I110-I269 HydrophobicContact CG2-CG1 4.04Å; Y111-I269 PolarHBondContact O-N 2.73Å; V112-I269 CarbonylContact C-O 3.54Å; V112-I269 WeakPolarHBondContact CA-O 3.33Å; L113-I269 PolarHBondContact N-O 3.26Å; F123-I269 HydrophobicContact CE1-CG2 3.85Å; F123-I269 HydrophobicContact CZ-CG2 3.75Å; F127-I269 HydrophobicContact CE2-CD1 4.47Å; F127-I269 HydrophobicContact CZ-CD1 3.72Å; I269-L271 PolarHBondContact O-N 3.14Å; I269-M356 CarbonylContact C-O 3.51Å; I269-M356 WeakPolarHBondContact CA-O 3.4Å; I269-V358 HydrophobicContact CG2-CG2 3.76Å; I269-V374 HydrophobicContact CD1-CG1 4.08Å; I269-F377 HydrophobicContact CD1-CD1 4.1Å; I269-F377 HydrophobicContact CD1-CE1 4.41Å; I269-F377 HydrophobicContact CG1-CD1 3.75Å; I269-F377 HydrophobicContact CG1-CE1 3.65Å
270	H	98.7	Very high	96.4	Very high	9 Å²	9	24.6 Å²	24.6	4%	0.042	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	100.1	179.1	-172.3	-171.5	0	0	0	110.4	L113 V272 T340 Y355 M356 A357 V358	L113-H270 HydrophobicContact CD2-CB 4.49Å; L113-H270 CarbonylContact O-C 3.07Å; L113-H270 VanDerWaalsContact O-CA 3.31Å; L113-H270 WeakPolarHBondContact O-CA 3.37Å; L113-H270 PolarHBondContact O-CD2 2.67Å; H270-V272 WeakPolarHBondContact NE2-CG1 3.33Å; H270-V272 PolarHBondContact O-N 3.02Å; H270-T340 WeakPolarHBondContact ND1-CG2 3.27Å; H270-Y355 HydrophobicContact CB-CE2 3.53Å; H270-Y355 WeakPolarHBondContact CB-OH 3.44Å; H270-Y355 AromaticContact ND1-CZ 3.8Å; H270-Y355 PolarHBondContact ND1-OH 3.28Å; H270-M356 PolarHBondContact N-O 3.34Å; H270-A357 WeakPolarHBondContact O-CA 3.24Å; H270-V358 PolarHBondContact O-N 3.36Å
271	L	98.7	Very high	96.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	114.7	172.8	178.2	74.4	0	0	0	109.5	L113 T114 S120 F123 I269 V358	L113-L271 PolarHBondContact O-N 2.66Å; T114-L271 WeakPolarHBondContact CB-O 3.2Å; T114-L271 PolarHBondContact OG1-O 3.27Å; S120-L271 VanDerWaalsContact CA-CD2 3.46Å; F123-L271 HydrophobicContact CB-CD2 3.69Å; F123-L271 HydrophobicContact CD1-CB 4.44Å; F123-L271 HydrophobicContact CD1-CD2 4.26Å; F123-L271 HydrophobicContact CD2-CD1 4.09Å; F123-L271 HydrophobicContact CE2-CD1 4.43Å; F123-L271 HydrophobicContact CG-CD1 4.17Å; F123-L271 HydrophobicContact CG-CD2 3.96Å; I269-L271 PolarHBondContact O-N 3.14Å; L271-V358 WeakPolarHBondContact CA-O 3.46Å; L271-V358 HydrophobicContact CD1-CB 4.34Å; L271-V358 HydrophobicContact CD1-CG1 4.18Å
272	V	98.1	Very high	96.3	Very high	9 Å²	9	17.4 Å²	17.4	6%	0.055	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	155.4	177.4	-61.6	0	0	0	0	110.7	H270 V358 R359 Y360 L441	H270-V272 WeakPolarHBondContact NE2-CG1 3.33Å; H270-V272 PolarHBondContact O-N 3.02Å; V272-V358 WeakPolarHBondContact CG2-O 3.15Å; V272-V358 PolarHBondContact N-O 3.18Å; V272-R359 HydrophobicContact CG2-CB 4.21Å; V272-Y360 WeakPolarHBondContact O-CB 3.49Å; V272-Y360 PolarHBondContact O-N 3.38Å; V272-L441 HydrophobicContact CB-CD1 3.81Å; V272-L441 HydrophobicContact CB-CD2 4.28Å; V272-L441 HydrophobicContact CG1-CD1 4.02Å; V272-L441 HydrophobicContact CG1-CD2 4.2Å; V272-L441 HydrophobicContact CG2-CD1 4.07Å; V272-L441 HydrophobicContact CG2-CD2 3.8Å; V272-L441 HydrophobicContact CG2-CG 4.48Å
273	R	97.7	Very high	96.3	Very high	28 Å²	28	12.2 Å²	12.2	11%	0.106	7%	0.07	C	C	.	.			trans	-147.2	156.5	179.6	-176.2	174.9	-179.9	178.3	6.5	109.4	R117 S118 P275 A277 V278 Y360 E361 A414 Y443	R117-R273 PolarHBondContact O-NH1 3.08Å; R117-R273 VanDerWaalsContact O-NH1 3.12Å; S118-R273 VanDerWaalsContact O-CD 3.3Å; S118-R273 WeakPolarHBondContact O-CD 3.45Å; R273-P275 VanDerWaalsContact O-N 3.15Å; R273-A277 HydrophobicContact CG-CB 4.29Å; R273-V278 HydrophobicContact CB-CG2 3.97Å; R273-V278 HydrophobicContact CG-CG2 4.18Å; R273-Y360 HydrophobicContact CG-CD1 3.97Å; R273-Y360 HydrophobicContact CG-CG 4.23Å; R273-E361 WeakPolarHBondContact CG-OE1 3.45Å; R273-A414 PolarHBondContact NH2-O 3.4Å; R273-A414 VanDerWaalsContact NH2-O 3.09Å; R273-Y443 WeakPolarHBondContact CA-OH 3.39Å
274	D	98.2	Very high	96.3	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.027	7%	0.069	C	C	.	.			trans	-50.7	121.1	173	-173.1	-41.4	0	0	0	110.1	R276 A277 V278 E361 Y443	D274-R276 PolarHBondContact O-N 3.36Å; D274-R276 VanDerWaalsContact O-N 3.17Å; D274-R276 WeakPolarHBondContact OD1-CA 3.35Å; D274-R276 VanDerWaalsContact OD1-CB 3.22Å; D274-R276 WeakPolarHBondContact OD1-CB 3.23Å; D274-R276 IonicContact OD1-CZ 3.38Å; D274-R276 PolarHBondContact OD1-N 2.98Å; D274-R276 IonicContact OD1-NE 3.82Å; D274-R276 PolarHBondContact OD1-NE 3.36Å; D274-R276 IonicContact OD1-NH2 3.63Å; D274-R276 IonicContact OD2-CZ 3.81Å; D274-R276 IonicContact OD2-NE 3.95Å; D274-R276 PolarHBondContact OD2-NE 3.08Å; D274-R276 IonicContact OD2-NH2 2.7Å; D274-R276 PolarHBondContact OD2-NH2 2.93Å; D274-A277 HydrophobicContact CB-CB 4.05Å; D274-A277 WeakPolarHBondContact O-CA 3.28Å; D274-A277 WeakPolarHBondContact O-CB 3.27Å; D274-A277 PolarHBondContact O-N 2.97Å; D274-V278 PolarHBondContact O-N 3.11Å; D274-E361 WeakPolarHBondContact CB-OE1 3.39Å; D274-E361 PolarHBondContact N-OE1 3.24Å; D274-Y443 HydrophobicContact CB-CD1 3.95Å; D274-Y443 HydrophobicContact CB-CE1 3.75Å; D274-Y443 VanDerWaalsContact N-CZ 3.29Å; D274-Y443 PolarHBondContact N-OH 3.41Å; D274-Y443 VanDerWaalsContact N-OH 3.14Å
275	P	98	Very high	96.2	Very high	9 Å²	9	13.8 Å²	13.8	6%	0.058	7%	0.067	C	C	.	.	H	α-helix	trans	-62.5	-25.1	-175.9	24.5	-33.7	0	0	0	112.8	R273 V278 A279 M330 V430 C434 M438	R273-P275 VanDerWaalsContact O-N 3.15Å; P275-V278 PolarHBondContact O-N 3.25Å; P275-A279 WeakPolarHBondContact O-CB 3.41Å; P275-A279 PolarHBondContact O-N 2.71Å; P275-M330 HydrophobicContact CB-CE 3.82Å; P275-V430 HydrophobicContact CB-CG1 3.91Å; P275-V430 HydrophobicContact CG-CG1 4.39Å; P275-C434 HydrophobicContact CB-CB 3.87Å; P275-C434 HydrophobicContact CG-CB 3.71Å; P275-M438 HydrophobicContact CG-CG 3.54Å; P275-M438 HydrophobicContact CG-SD 3.76Å
276	R	97.8	Very high	95.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-71.2	-39.2	174.6	-57.9	165.3	-68.4	-165	1.4	110.6	D274 A279 N280 W418 L422 V430 E431 E444	D274-R276 PolarHBondContact O-N 3.36Å; D274-R276 VanDerWaalsContact O-N 3.17Å; D274-R276 WeakPolarHBondContact OD1-CA 3.35Å; D274-R276 VanDerWaalsContact OD1-CB 3.22Å; D274-R276 WeakPolarHBondContact OD1-CB 3.23Å; D274-R276 IonicContact OD1-CZ 3.38Å; D274-R276 PolarHBondContact OD1-N 2.98Å; D274-R276 IonicContact OD1-NE 3.82Å; D274-R276 PolarHBondContact OD1-NE 3.36Å; D274-R276 IonicContact OD1-NH2 3.63Å; D274-R276 IonicContact OD2-CZ 3.81Å; D274-R276 IonicContact OD2-NE 3.95Å; D274-R276 PolarHBondContact OD2-NE 3.08Å; D274-R276 IonicContact OD2-NH2 2.7Å; D274-R276 PolarHBondContact OD2-NH2 2.93Å; R276-A279 PolarHBondContact O-N 2.95Å; R276-N280 WeakPolarHBondContact O-CB 3.48Å; R276-N280 PolarHBondContact O-N 2.92Å; R276-W418 HydrophobicContact CB-CB 4.49Å; R276-W418 HydrophobicContact CB-CD2 3.57Å; R276-W418 HydrophobicContact CB-CE3 3.71Å; R276-W418 HydrophobicContact CB-CG 3.94Å; R276-W418 HydrophobicContact CB-CZ2 4.44Å; R276-W418 HydrophobicContact CB-CZ3 4.22Å; R276-W418 HydrophobicContact CG-CE3 4.38Å; R276-W418 HydrophobicContact CG-CZ3 4.44Å; R276-W418 VanDerWaalsContact NE-CH2 3.3Å; R276-W418 VanDerWaalsContact NE-CZ2 3.29Å; R276-L422 HydrophobicContact CB-CD1 4.33Å; R276-L422 WeakPolarHBondContact O-CD1 3.25Å; R276-V430 HydrophobicContact CG-CB 4.41Å; R276-V430 HydrophobicContact CG-CG1 3.99Å; R276-E431 WeakPolarHBondContact CD-OE1 3.19Å; R276-E431 HydrophobicContact CG-CG 4.43Å; R276-E431 IonicContact CZ-OE1 2.8Å; R276-E431 IonicContact NE-OE1 3Å; R276-E431 IonicContact NH1-OE1 3.09Å; R276-E431 PolarHBondContact NH1-OE1 3.09Å; R276-E444 PolarHBondContact NH1-O 2.92Å; R276-E444 PolarHBondContact NH2-O 3.49Å; R276-E444 VanDerWaalsContact NH2-O 3.13Å
277	A	97.1	Very high	95.4	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-64.1	-41.7	172.1	0	0	0	0	0	111.7	R273 D274 S281 W418	R273-A277 HydrophobicContact CG-CB 4.29Å; D274-A277 HydrophobicContact CB-CB 4.05Å; D274-A277 WeakPolarHBondContact O-CA 3.28Å; D274-A277 WeakPolarHBondContact O-CB 3.27Å; D274-A277 PolarHBondContact O-N 2.97Å; A277-S281 VanDerWaalsContact O-CB 3.31Å; A277-S281 WeakPolarHBondContact O-CB 3.44Å; A277-S281 PolarHBondContact O-N 3.12Å; A277-W418 HydrophobicContact CB-CG 4.41Å
278	V	97.1	Very high	95	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.018	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-50.6	173.7	175.9	0	0	0	0	110.2	R117 R273 D274 P275 N280 S281 R282 M330	R117-V278 HydrophobicContact CB-CG1 4.42Å; R273-V278 HydrophobicContact CB-CG2 3.97Å; R273-V278 HydrophobicContact CG-CG2 4.18Å; D274-V278 PolarHBondContact O-N 3.11Å; P275-V278 PolarHBondContact O-N 3.25Å; V278-N280 PolarHBondContact O-N 3.31Å; V278-S281 CarbonylContact O-C 3.57Å; V278-S281 WeakPolarHBondContact O-CB 3.32Å; V278-S281 PolarHBondContact O-N 3.3Å; V278-S281 VanDerWaalsContact O-N 3.14Å; V278-R282 HydrophobicContact CG1-CG 4.28Å; V278-R282 WeakPolarHBondContact O-CG 3.24Å; V278-R282 PolarHBondContact O-N 3.13Å; V278-M330 HydrophobicContact CB-CE 4.16Å; V278-M330 HydrophobicContact CB-SD 4.49Å; V278-M330 HydrophobicContact CG1-CE 3.99Å; V278-M330 HydrophobicContact CG1-SD 3.84Å
279	A	96.2	Very high	94.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.3	-48.6	179.6	0	0	0	0	0	112.5	P275 R276 S281 R282 I283 M330 V430	P275-A279 WeakPolarHBondContact O-CB 3.41Å; P275-A279 PolarHBondContact O-N 2.71Å; R276-A279 PolarHBondContact O-N 2.95Å; A279-S281 VanDerWaalsContact C-N 3.28Å; A279-S281 PolarHBondContact O-N 3.31Å; A279-R282 PolarHBondContact O-N 2.97Å; A279-R282 VanDerWaalsContact O-N 3.13Å; A279-I283 WeakPolarHBondContact O-CG1 3.46Å; A279-I283 PolarHBondContact O-N 2.97Å; A279-M330 HydrophobicContact CB-CG 4.12Å; A279-M330 HydrophobicContact CB-SD 4.47Å; A279-V430 HydrophobicContact CB-CG1 4.41Å; A279-V430 HydrophobicContact CB-CG2 3.61Å
280	N	95	Very high	94.2	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-55	-45.2	174.6	-179.1	29.4	0	0	0	111.8	R276 V278 I283 K284 W418 V421 L422	R276-N280 WeakPolarHBondContact O-CB 3.48Å; R276-N280 PolarHBondContact O-N 2.92Å; V278-N280 PolarHBondContact O-N 3.31Å; N280-I283 PolarHBondContact O-N 3.15Å; N280-K284 WeakPolarHBondContact O-CG 3.47Å; N280-K284 PolarHBondContact O-N 3.34Å; N280-K284 VanDerWaalsContact O-N 3.15Å; N280-K284 WeakPolarHBondContact OD1-CE 3.49Å; N280-W418 HydrophobicContact CB-CB 3.77Å; N280-W418 WeakPolarHBondContact ND2-CA 3.42Å; N280-W418 PolarHBondContact ND2-N 2.84Å; N280-V421 WeakPolarHBondContact OD1-CG1 3.45Å; N280-L422 HydrophobicContact CB-CD1 4.13Å; N280-L422 HydrophobicContact CB-CD2 3.95Å; N280-L422 HydrophobicContact CB-CG 4Å
281	S	94	Very high	93.8	Very high	16 Å²	16	31 Å²	31	11%	0.112	15%	0.152	C	C	.	.	H	α-helix	trans	-68.1	-34.9	179.4	-167.8	0	0	0	0	112.4	R117 A277 V278 A279 S285	R117-S281 VanDerWaalsContact CZ-OG 3.28Å; R117-S281 PolarHBondContact NE-OG 3.04Å; R117-S281 PolarHBondContact NH2-OG 2.98Å; A277-S281 VanDerWaalsContact O-CB 3.31Å; A277-S281 WeakPolarHBondContact O-CB 3.44Å; A277-S281 PolarHBondContact O-N 3.12Å; V278-S281 CarbonylContact O-C 3.57Å; V278-S281 WeakPolarHBondContact O-CB 3.32Å; V278-S281 PolarHBondContact O-N 3.3Å; V278-S281 VanDerWaalsContact O-N 3.14Å; A279-S281 VanDerWaalsContact C-N 3.28Å; A279-S281 PolarHBondContact O-N 3.31Å; S281-S285 WeakPolarHBondContact O-CB 3.24Å; S281-S285 PolarHBondContact O-N 3.08Å; S281-S285 VanDerWaalsContact O-N 3.11Å; S281-S285 PolarHBondContact O-OG 2.87Å; S281-S285 VanDerWaalsContact O-OG 3.06Å
282	R	93.4	Very high	93.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-43.5	173.9	-69.2	-177.8	83.5	87.9	2.3	112.1	R117 V278 A279 K284 S285 R286 L289 N293	R117-R282 HydrophobicContact CB-CG 4.18Å; R117-R282 HydrophobicContact CG-CG 3.75Å; V278-R282 HydrophobicContact CG1-CG 4.28Å; V278-R282 WeakPolarHBondContact O-CG 3.24Å; V278-R282 PolarHBondContact O-N 3.13Å; A279-R282 PolarHBondContact O-N 2.97Å; A279-R282 VanDerWaalsContact O-N 3.13Å; R282-K284 VanDerWaalsContact C-N 3.32Å; R282-K284 PolarHBondContact O-N 2.95Å; R282-S285 CarbonylContact O-C 3.12Å; R282-S285 VanDerWaalsContact O-C 3.28Å; R282-S285 WeakPolarHBondContact O-CA 3.19Å; R282-S285 PolarHBondContact O-N 3.45Å; R282-R286 WeakPolarHBondContact O-CA 3.46Å; R282-R286 PolarHBondContact O-N 2.86Å; R282-L289 HydrophobicContact CB-CD1 4.39Å; R282-L289 HydrophobicContact CG-CD1 4.17Å; R282-N293 PolarHBondContact NE-OD1 2.73Å; R282-N293 PolarHBondContact NH2-OD1 2.76Å
283	I	91.6	Very high	93.2	Very high	17 Å²	17	31.1 Å²	31.1	9%	0.087	15%	0.152	C	C	.	.	H	α-helix	trans	-57	-46.9	175.8	-71.6	164.7	0	0	0	110.4	A279 N280 S285 R286 I327 L422	A279-I283 WeakPolarHBondContact O-CG1 3.46Å; A279-I283 PolarHBondContact O-N 2.97Å; N280-I283 PolarHBondContact O-N 3.15Å; I283-S285 PolarHBondContact O-N 3.39Å; I283-R286 WeakPolarHBondContact O-CB 3.46Å; I283-R286 WeakPolarHBondContact O-CD 3.31Å; I283-R286 WeakPolarHBondContact O-CG 3.42Å; I283-R286 PolarHBondContact O-N 3.23Å; I283-I327 HydrophobicContact CD1-CD1 3.97Å; I283-I327 HydrophobicContact CD1-CG1 3.91Å; I283-I327 HydrophobicContact CG1-CG1 4.31Å; I283-L422 HydrophobicContact CD1-CD2 3.79Å
284	K	90.4	Very high	92.8	Very high	121 Å²	121	32.1 Å²	32.1	53%	0.526	16%	0.159	S	C	.	.	H	α-helix	trans	-62.3	-30.4	175.2	-69	178.2	-177.9	-177.4	0	112.9	N280 R282	N280-K284 WeakPolarHBondContact O-CG 3.47Å; N280-K284 PolarHBondContact O-N 3.34Å; N280-K284 VanDerWaalsContact O-N 3.15Å; N280-K284 WeakPolarHBondContact OD1-CE 3.49Å; R282-K284 VanDerWaalsContact C-N 3.32Å; R282-K284 PolarHBondContact O-N 2.95Å
285	S	90.5	Very high	92.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	7.7	-179	-62.4	0	0	0	0	114.7	R117 S281 R282 I283 H287 G288 L289 P403	R117-S285 PolarHBondContact NE-OG 2.93Å; R117-S285 PolarHBondContact NH2-OG 3.16Å; S281-S285 WeakPolarHBondContact O-CB 3.24Å; S281-S285 PolarHBondContact O-N 3.08Å; S281-S285 VanDerWaalsContact O-N 3.11Å; S281-S285 PolarHBondContact O-OG 2.87Å; S281-S285 VanDerWaalsContact O-OG 3.06Å; R282-S285 CarbonylContact O-C 3.12Å; R282-S285 VanDerWaalsContact O-C 3.28Å; R282-S285 WeakPolarHBondContact O-CA 3.19Å; R282-S285 PolarHBondContact O-N 3.45Å; I283-S285 PolarHBondContact O-N 3.39Å; S285-H287 VanDerWaalsContact C-N 3.28Å; S285-H287 PolarHBondContact O-N 3.23Å; S285-H287 VanDerWaalsContact O-N 3.07Å; S285-G288 PolarHBondContact O-N 3.37Å; S285-L289 PolarHBondContact O-N 3.1Å; S285-L289 VanDerWaalsContact O-N 3.17Å; S285-P403 WeakPolarHBondContact OG-CB 3.42Å
286	R	87.9	Confident	92.4	Very high	49 Å²	49	31.4 Å²	31.4	19%	0.185	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-53.5	-38.1	-164.7	67.5	-167.5	-175	-110.8	-12.7	115.1	R282 I283 L289 I290 S322 D323 S326	R282-R286 WeakPolarHBondContact O-CA 3.46Å; R282-R286 PolarHBondContact O-N 2.86Å; I283-R286 WeakPolarHBondContact O-CB 3.46Å; I283-R286 WeakPolarHBondContact O-CD 3.31Å; I283-R286 WeakPolarHBondContact O-CG 3.42Å; I283-R286 PolarHBondContact O-N 3.23Å; R286-L289 PolarHBondContact O-N 3.34Å; R286-I290 PolarHBondContact O-N 3.4Å; R286-I290 VanDerWaalsContact O-N 3.12Å; R286-S322 WeakPolarHBondContact CD-OG 3.49Å; R286-S322 PolarHBondContact NE-OG 2.82Å; R286-S322 VanDerWaalsContact NE-OG 3.09Å; R286-D323 WeakPolarHBondContact CD-OD1 3.42Å; R286-D323 IonicContact CZ-OD1 3.67Å; R286-D323 IonicContact NE-OD1 3.44Å; R286-D323 IonicContact NH1-OD1 3.73Å; R286-D323 PolarHBondContact NH1-OD1 2.99Å; R286-S326 WeakPolarHBondContact CB-OG 3.45Å
287	H	87.8	Confident	92.1	Very high	143 Å²	143	32.6 Å²	32.6	66%	0.662	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-66.4	-38.8	179	-60.7	108.4	0	0	0	112.3	S285 L289	S285-H287 VanDerWaalsContact C-N 3.28Å; S285-H287 PolarHBondContact O-N 3.23Å; S285-H287 VanDerWaalsContact O-N 3.07Å; H287-L289 VanDerWaalsContact C-N 3.33Å
288	G	89.1	Confident	91.8	Very high	44 Å²	44	39.6 Å²	39.6	45%	0.454	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-83.2	-7.4	178.5	0	0	0	0	0	114.3	S285	S285-G288 PolarHBondContact O-N 3.37Å
289	L	90.9	Very high	91.6	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-114.4	11	177.2	-66.9	179.3	0	0	0	112.7	W116 R117 R282 S285 R286 H287 R291 E292 N293 F404	W116-L289 HydrophobicContact CG-CD2 4.34Å; R117-L289 HydrophobicContact CG-CD1 3.84Å; R282-L289 HydrophobicContact CB-CD1 4.39Å; R282-L289 HydrophobicContact CG-CD1 4.17Å; S285-L289 PolarHBondContact O-N 3.1Å; S285-L289 VanDerWaalsContact O-N 3.17Å; R286-L289 PolarHBondContact O-N 3.34Å; H287-L289 VanDerWaalsContact C-N 3.33Å; L289-R291 VanDerWaalsContact C-N 3.35Å; L289-R291 PolarHBondContact O-N 3.41Å; L289-E292 PolarHBondContact O-N 3.16Å; L289-N293 VanDerWaalsContact O-CB 3.25Å; L289-N293 WeakPolarHBondContact O-CB 3.26Å; L289-N293 VanDerWaalsContact O-CG 3.24Å; L289-N293 PolarHBondContact O-N 3.45Å; L289-N293 PolarHBondContact O-ND2 2.94Å; L289-F404 HydrophobicContact CD2-CE1 3.99Å; L289-F404 HydrophobicContact CD2-CZ 4.07Å; L289-F404 HydrophobicContact CG-CE1 4.26Å; L289-F404 HydrophobicContact CG-CZ 3.97Å
290	I	89.4	Confident	91.3	Very high	70 Å²	70	41.8 Å²	41.8	36%	0.359	20%	0.199	S	C	.	.	H	α-helix	trans	-59.5	-45.2	-170.7	-173.3	60.2	0	0	0	112.1	R286 N293 L294	R286-I290 PolarHBondContact O-N 3.4Å; R286-I290 VanDerWaalsContact O-N 3.12Å; I290-N293 PolarHBondContact O-N 3.05Å; I290-L294 HydrophobicContact CD1-CD1 4.43Å; I290-L294 HydrophobicContact CD1-CG 4.49Å; I290-L294 HydrophobicContact CG1-CD1 4.27Å; I290-L294 VanDerWaalsContact O-CG 3.25Å; I290-L294 WeakPolarHBondContact O-CG 3.46Å; I290-L294 PolarHBondContact O-N 2.87Å
291	R	90.9	Very high	90.8	Very high	122 Å²	122	45.3 Å²	45.3	46%	0.46	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-48.8	179.2	-72.9	-175.8	174.1	-169.8	-4.3	110.8	Q145 Y148 L289 N293 L294 Q295	Q145-R291 VanDerWaalsContact OE1-NH1 3.14Å; Y148-R291 HydrophobicContact CD2-CB 4.46Å; Y148-R291 HydrophobicContact CE2-CB 4.29Å; Y148-R291 HydrophobicContact CE2-CG 4.33Å; L289-R291 VanDerWaalsContact C-N 3.35Å; L289-R291 PolarHBondContact O-N 3.41Å; R291-N293 PolarHBondContact O-N 3.36Å; R291-L294 PolarHBondContact O-N 2.72Å; R291-Q295 WeakPolarHBondContact O-CG 3.39Å; R291-Q295 PolarHBondContact O-N 3.2Å
292	E	91.9	Very high	90.1	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-44.3	178.6	-70.6	83.3	172.3	0	0	111.9	W116 W144 Q145 R248 L289 L294 Q295 V296	W116-E292 HydrophobicContact CZ2-CB 4.34Å; W116-E292 HydrophobicContact CZ2-CG 4Å; W144-E292 HydrophobicContact CE3-CG 4.21Å; W144-E292 HydrophobicContact CZ3-CB 4.43Å; W144-E292 HydrophobicContact CZ3-CG 4.41Å; Q145-E292 PolarHBondContact NE2-OE1 3.21Å; R248-E292 IonicContact NH2-OE1 3.48Å; R248-E292 PolarHBondContact NH2-OE1 2.98Å; L289-E292 PolarHBondContact O-N 3.16Å; E292-L294 VanDerWaalsContact C-N 3.31Å; E292-L294 PolarHBondContact O-N 3.15Å; E292-Q295 PolarHBondContact O-N 3.36Å; E292-V296 WeakPolarHBondContact O-CB 3.43Å; E292-V296 VanDerWaalsContact O-CG2 3.26Å; E292-V296 WeakPolarHBondContact O-CG2 3.46Å; E292-V296 PolarHBondContact O-N 3.44Å
293	N	92.1	Very high	89.4	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-57	-45.9	175.2	-79.5	-24.1	0	0	0	110.8	R282 L289 I290 R291 V296 V297 H325 S326	R282-N293 PolarHBondContact NE-OD1 2.73Å; R282-N293 PolarHBondContact NH2-OD1 2.76Å; L289-N293 VanDerWaalsContact O-CB 3.25Å; L289-N293 WeakPolarHBondContact O-CB 3.26Å; L289-N293 VanDerWaalsContact O-CG 3.24Å; L289-N293 PolarHBondContact O-N 3.45Å; L289-N293 PolarHBondContact O-ND2 2.94Å; I290-N293 PolarHBondContact O-N 3.05Å; R291-N293 PolarHBondContact O-N 3.36Å; N293-V296 PolarHBondContact O-N 3.37Å; N293-V297 VanDerWaalsContact O-CB 3.3Å; N293-V297 WeakPolarHBondContact O-CB 3.36Å; N293-V297 WeakPolarHBondContact O-CG2 3.49Å; N293-V297 PolarHBondContact O-N 3.09Å; N293-H325 HydrophobicContact CB-CB 4.26Å; N293-S326 PolarHBondContact ND2-OG 3.08Å
294	L	90.6	Very high	88.7	Confident	48 Å²	48	62.9 Å²	62.9	25%	0.251	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-46.3	178.7	-69.3	170.7	0	0	0	111.8	I290 R291 E292 V296 V297 R298	I290-L294 HydrophobicContact CD1-CD1 4.43Å; I290-L294 HydrophobicContact CD1-CG 4.49Å; I290-L294 HydrophobicContact CG1-CD1 4.27Å; I290-L294 VanDerWaalsContact O-CG 3.25Å; I290-L294 WeakPolarHBondContact O-CG 3.46Å; I290-L294 PolarHBondContact O-N 2.87Å; R291-L294 PolarHBondContact O-N 2.72Å; E292-L294 VanDerWaalsContact C-N 3.31Å; E292-L294 PolarHBondContact O-N 3.15Å; L294-V296 VanDerWaalsContact C-N 3.32Å; L294-V296 PolarHBondContact O-N 3.46Å; L294-V297 PolarHBondContact O-N 3.05Å; L294-R298 WeakPolarHBondContact O-CG 3.37Å; L294-R298 PolarHBondContact O-N 3.3Å
295	Q	93.3	Very high	87.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-41.7	177.3	-67	-171.9	30.9	0	0	112.1	W144 Y148 G150 A152 R291 E292 R298	W144-Q295 HydrophobicContact CE3-CB 4.3Å; W144-Q295 HydrophobicContact CZ3-CB 3.9Å; W144-Q295 PolarHBondContact O-NE2 2.96Å; Y148-Q295 HydrophobicContact CD2-CG 3.74Å; Y148-Q295 VanDerWaalsContact CD2-NE2 3.35Å; Y148-Q295 HydrophobicContact CE2-CG 4.09Å; G150-Q295 VanDerWaalsContact O-CG 3.23Å; G150-Q295 WeakPolarHBondContact O-CG 3.43Å; G150-Q295 PolarHBondContact O-OE1 3.45Å; A152-Q295 PolarHBondContact N-O 3.31Å; A152-Q295 VanDerWaalsContact N-O 3.11Å; R291-Q295 WeakPolarHBondContact O-CG 3.39Å; R291-Q295 PolarHBondContact O-N 3.2Å; E292-Q295 PolarHBondContact O-N 3.36Å; Q295-R298 PolarHBondContact O-N 3.05Å
296	V	94	Very high	86.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67.1	-46.6	177.3	173.3	0	0	0	0	111.2	W116 W144 A152 E292 N293 L294 R298 S299 A329 V332 I333	W116-V296 HydrophobicContact CH2-CG2 4.41Å; W116-V296 HydrophobicContact CZ3-CG2 4.24Å; W144-V296 HydrophobicContact CH2-CG2 3.95Å; W144-V296 HydrophobicContact CZ3-CG2 4.16Å; A152-V296 HydrophobicContact CB-CB 4.48Å; A152-V296 HydrophobicContact CB-CG2 3.98Å; E292-V296 WeakPolarHBondContact O-CB 3.43Å; E292-V296 VanDerWaalsContact O-CG2 3.26Å; E292-V296 WeakPolarHBondContact O-CG2 3.46Å; E292-V296 PolarHBondContact O-N 3.44Å; N293-V296 PolarHBondContact O-N 3.37Å; L294-V296 VanDerWaalsContact C-N 3.32Å; L294-V296 PolarHBondContact O-N 3.46Å; V296-R298 PolarHBondContact O-N 3.09Å; V296-S299 WeakPolarHBondContact O-CB 3.29Å; V296-S299 PolarHBondContact O-N 3.33Å; V296-A329 HydrophobicContact CB-CB 4.22Å; V296-A329 HydrophobicContact CG1-CB 3.83Å; V296-V332 HydrophobicContact CG1-CB 3.75Å; V296-V332 HydrophobicContact CG1-CG1 4.05Å; V296-V332 HydrophobicContact CG1-CG2 4.42Å; V296-V332 WeakPolarHBondContact O-CG2 3.12Å; V296-I333 HydrophobicContact CG1-CG1 4.17Å
297	V	91.6	Very high	85.5	Confident	24 Å²	24	76.2 Å²	76.2	15%	0.145	36%	0.363	C	S	.	.	H	α-helix	trans	-63.2	-29.8	179.4	168.1	0	0	0	0	111.8	N293 L294 S299 R300 A329	N293-V297 VanDerWaalsContact O-CB 3.3Å; N293-V297 WeakPolarHBondContact O-CB 3.36Å; N293-V297 WeakPolarHBondContact O-CG2 3.49Å; N293-V297 PolarHBondContact O-N 3.09Å; L294-V297 PolarHBondContact O-N 3.05Å; V297-S299 PolarHBondContact O-N 3.17Å; V297-R300 VanDerWaalsContact O-CB 3.23Å; V297-R300 WeakPolarHBondContact O-CB 3.41Å; V297-R300 WeakPolarHBondContact O-CD 3.5Å; V297-R300 WeakPolarHBondContact O-CG 3.28Å; V297-R300 PolarHBondContact O-N 3.32Å; V297-A329 HydrophobicContact CG2-CB 4.22Å
298	R	91.3	Very high	84.1	Confident	150 Å²	150	74.5 Å²	74.5	57%	0.566	36%	0.364	S	S	*	.	H	α-helix	trans	-66.8	-22.9	174.3	-73.3	170.8	89.7	120.9	4.9	113.6	P149 D151 L294 Q295 V296 R300	P149-R298 PolarHBondContact O-NE 3.37Å; D151-R298 HydrophobicContact CB-CB 3.93Å; L294-R298 WeakPolarHBondContact O-CG 3.37Å; L294-R298 PolarHBondContact O-N 3.3Å; Q295-R298 PolarHBondContact O-N 3.05Å; V296-R298 PolarHBondContact O-N 3.09Å; R298-R300 PolarHBondContact O-N 2.76Å
299	S	92.4	Very high	82.7	Confident	19 Å²	19	75.2 Å²	75.2	13%	0.133	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	6.2	176	-56.9	0	0	0	0	113.9	D151 A152 V153 V296 V297	D151-S299 WeakPolarHBondContact CB-OG 3.34Å; D151-S299 PolarHBondContact OD1-OG 2.87Å; A152-S299 PolarHBondContact N-OG 3.21Å; V153-S299 PolarHBondContact N-OG 2.97Å; V296-S299 WeakPolarHBondContact O-CB 3.29Å; V296-S299 PolarHBondContact O-N 3.33Å; V297-S299 PolarHBondContact O-N 3.17Å
300	R	89.9	Confident	81.2	Confident	29 Å²	29	78.2 Å²	78.2	11%	0.109	37%	0.373	C	S	.	.	S	Bend	trans	-61.5	144.3	174.5	-83.4	177.2	167.4	-172.4	-27.9	111.3	V297 R298 P302 G328 E331 V332	V297-R300 VanDerWaalsContact O-CB 3.23Å; V297-R300 WeakPolarHBondContact O-CB 3.41Å; V297-R300 WeakPolarHBondContact O-CD 3.5Å; V297-R300 WeakPolarHBondContact O-CG 3.28Å; V297-R300 PolarHBondContact O-N 3.32Å; R298-R300 PolarHBondContact O-N 2.76Å; R300-P302 WeakPolarHBondContact O-CD 3.22Å; R300-G328 PolarHBondContact NE-O 2.95Å; R300-G328 PolarHBondContact NH2-O 3.47Å; R300-G328 VanDerWaalsContact NH2-O 3.09Å; R300-E331 IonicContact CZ-OE2 3.08Å; R300-E331 IonicContact NE-OE2 2.85Å; R300-E331 PolarHBondContact NE-OE2 3.33Å; R300-E331 IonicContact NH2-OE2 3.69Å; R300-E331 PolarHBondContact NH2-OE2 3.1Å; R300-V332 HydrophobicContact CB-CG2 4.32Å; R300-V332 HydrophobicContact CG-CG2 3.58Å
301	D	83.6	Confident	79.4	Confident	81 Å²	81	80.2 Å²	80.2	43%	0.433	38%	0.384	S	S	.	.			trans	-66.9	117.9	173.6	-174.1	-13.5	0	0	0	109.9	K303 L304 R306	D301-K303 PolarHBondContact O-N 2.79Å; D301-K303 WeakPolarHBondContact OD1-CB 3.47Å; D301-K303 PolarHBondContact OD1-N 3.13Å; D301-L304 HydrophobicContact CB-CB 4.21Å; D301-L304 PolarHBondContact O-N 2.76Å; D301-R306 PolarHBondContact O-NH1 2.83Å; D301-R306 PolarHBondContact O-NH2 2.85Å
302	P	80	Confident	77.6	Confident	117 Å²	117	80.7 Å²	80.7	76%	0.76	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.9	179.1	28.3	-35.1	0	0	0	112.8	R300	R300-P302 WeakPolarHBondContact O-CD 3.22Å
303	K	77.7	Confident	75.5	Confident	191 Å²	191	83.3 Å²	83.3	83%	0.83	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-15.5	-177.3	-60	-178.6	179.5	-179.5	0	113.2	D301 R305	D301-K303 PolarHBondContact O-N 2.79Å; D301-K303 WeakPolarHBondContact OD1-CB 3.47Å; D301-K303 PolarHBondContact OD1-N 3.13Å; K303-R305 PolarHBondContact O-N 2.83Å
304	L	77.7	Confident	73.9	Confident	94 Å²	94	88.2 Å²	88.2	49%	0.492	46%	0.456	S	S	.	.	S	Bend	trans	-75	119.5	-178.9	-156.9	99.4	0	0	0	110.6	D301 R306	D301-L304 HydrophobicContact CB-CB 4.21Å; D301-L304 PolarHBondContact O-N 2.76Å; L304-R306 PolarHBondContact O-N 3.33Å; L304-R306 PolarHBondContact O-NH1 2.68Å
305	R	67.3	Low	71.9	Confident	241 Å²	241	94.7 Å²	94.7	91%	0.909	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-69.2	119.5	174.5	-171.1	175.3	-178.8	167.5	-0.4	109.4	K303	K303-R305 PolarHBondContact O-N 2.83Å
306	R	73.4	Confident	70.1	Confident	83 Å²	83	99.5 Å²	99.5	31%	0.313	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-97.6	130.2	179.3	-65.5	177.9	-177	73.4	19.1	109.9	D301 L304 P308 E331	D301-R306 PolarHBondContact O-NH1 2.83Å; D301-R306 PolarHBondContact O-NH2 2.85Å; L304-R306 PolarHBondContact O-N 3.33Å; L304-R306 PolarHBondContact O-NH1 2.68Å; R306-P308 WeakPolarHBondContact O-CD 3.36Å; R306-E331 IonicContact CZ-OE1 2.82Å; R306-E331 IonicContact NE-OE1 2.78Å; R306-E331 PolarHBondContact NE-OE1 3.34Å; R306-E331 IonicContact NE-OE2 3.25Å; R306-E331 PolarHBondContact NE-OE2 3.43Å; R306-E331 IonicContact NH2-OE1 3.18Å; R306-E331 PolarHBondContact NH2-OE1 3.39Å
307	I	60.5	Low	68.4	Low	129 Å²	129	104.5 Å²	104.5	66%	0.662	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-78	122.8	167.7	-54.9	175.2	0	0	0	106.7	F309	I307-F309 VanDerWaalsContact O-CD2 3.28Å; I307-F309 WeakPolarHBondContact O-CD2 3.5Å; I307-F309 PolarHBondContact O-N 3.5Å; I307-F309 VanDerWaalsContact O-N 3.12Å
308	P	59.3	Low	66.6	Low	107 Å²	107	113.2 Å²	113.2	70%	0.695	57%	0.574	S	S	*	*			trans	-64.3	113.5	172.4	-16.7	30.3	0	0	0	109	R306	R306-P308 WeakPolarHBondContact O-CD 3.36Å
309	F	58.6	Low	65	Low	59 Å²	59	112.4 Å²	112.4	26%	0.259	58%	0.575	S	S	.	*			trans	-82	-4.3	170.9	-71.9	-87.1	0	0	0	112.4	I307 Q429 D432	I307-F309 VanDerWaalsContact O-CD2 3.28Å; I307-F309 WeakPolarHBondContact O-CD2 3.5Å; I307-F309 PolarHBondContact O-N 3.5Å; I307-F309 VanDerWaalsContact O-N 3.12Å; F309-Q429 HydrophobicContact CB-CG 4.5Å; F309-Q429 HydrophobicContact CD1-CB 4.03Å; F309-Q429 HydrophobicContact CD1-CG 4.44Å; F309-Q429 HydrophobicContact CD2-CB 4.11Å; F309-Q429 HydrophobicContact CD2-CG 3.62Å; F309-Q429 HydrophobicContact CE1-CB 4.18Å; F309-Q429 HydrophobicContact CE2-CB 4.27Å; F309-Q429 HydrophobicContact CE2-CG 3.84Å; F309-Q429 HydrophobicContact CG-CB 3.99Å; F309-Q429 HydrophobicContact CG-CG 3.94Å; F309-Q429 HydrophobicContact CZ-CB 4.3Å; F309-Q429 HydrophobicContact CZ-CG 4.34Å; F309-D432 VanDerWaalsContact CZ-OD2 3.3Å; F309-D432 WeakPolarHBondContact CZ-OD2 3.44Å
310	V	59.3	Low	63.5	Low	66 Å²	66	114 Å²	114	40%	0.4	58%	0.582	S	S	.	*	S	Bend	trans	-93.4	127.6	174.3	-174.7	0	0	0	0	107.9	H314	V310-H314 HydrophobicContact CG1-CB 4.16Å
311	D	52.6	Low	62.1	Low	111 Å²	111	113.7 Å²	113.7	59%	0.594	59%	0.587	S	S	*	*			trans	-55.6	126.1	173.3	-173.1	-17.5	0	0	0	109.8	G313 H314	D311-G313 PolarHBondContact O-N 3.38Å; D311-G313 PolarHBondContact OD1-N 3.41Å; D311-G313 VanDerWaalsContact OD1-N 3.15Å; D311-H314 HydrophobicContact CB-CB 4.29Å; D311-H314 WeakPolarHBondContact O-CB 3.47Å; D311-H314 PolarHBondContact O-N 2.99Å
312	P	52	Low	61	Low	133 Å²	133	110.9 Å²	110.9	86%	0.864	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-24.4	178.8	-25.4	32.9	0	0	0	114.2
313	G	48.7	Very low	60.8	Low	67 Å²	67	106.3 Å²	106.3	69%	0.691	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.5	176.6	0	0	0	0	0	115.2	D311 K315	D311-G313 PolarHBondContact O-N 3.38Å; D311-G313 PolarHBondContact OD1-N 3.41Å; D311-G313 VanDerWaalsContact OD1-N 3.15Å; G313-K315 PolarHBondContact O-N 3.12Å
314	H	57.6	Low	60.7	Low	103 Å²	103	102 Å²	102	48%	0.477	52%	0.523	S	S	.	.			trans	-81.2	112.4	-176.5	-153.4	74.4	0	0	0	111.1	V310 D311 V316 D320	V310-H314 HydrophobicContact CG1-CB 4.16Å; D311-H314 HydrophobicContact CB-CB 4.29Å; D311-H314 WeakPolarHBondContact O-CB 3.47Å; D311-H314 PolarHBondContact O-N 2.99Å; H314-V316 PolarHBondContact O-N 3.29Å; H314-D320 IonicContact NE2-OD2 3.76Å
315	K	50.4	Low	60.9	Low	185 Å²	185	100.2 Å²	100.2	80%	0.804	51%	0.511	S	S	*	.			trans	-63.8	105.2	170.4	-70	-174.2	-179.3	179.2	0	108.7	G313 N317	G313-K315 PolarHBondContact O-N 3.12Å; K315-N317 PolarHBondContact O-N 3.49Å
316	V	54.8	Low	61.9	Low	100 Å²	100	88.7 Å²	88.7	61%	0.606	47%	0.468	S	S	*	.			trans	-58.3	105	178.7	-178.7	0	0	0	0	109.2	H314 D320	H314-V316 PolarHBondContact O-N 3.29Å; V316-D320 HydrophobicContact CG1-CB 4.35Å
317	N	57.8	Low	62.6	Low	106 Å²	106	85 Å²	85	57%	0.567	46%	0.455	S	S	*	.			trans	-77.4	160.4	169.5	-72.5	-41.3	0	0	0	109.3	K315 K319 D320 G321	K315-N317 PolarHBondContact O-N 3.49Å; N317-K319 PolarHBondContact O-N 3.36Å; N317-D320 WeakPolarHBondContact CB-OD2 3.33Å; N317-D320 PolarHBondContact N-OD2 3.4Å; N317-D320 VanDerWaalsContact N-OD2 3.07Å; N317-D320 PolarHBondContact O-N 3.12Å; N317-G321 PolarHBondContact O-N 2.7Å
318	K	54.8	Low	64	Low	206 Å²	206	78.9 Å²	78.9	90%	0.896	42%	0.423	S	S	*	.	H	α-helix	trans	-54.9	-27.5	178.9	-151.6	175.6	-174.4	176.8	0	112.9
319	K	57.3	Low	65.6	Low	134 Å²	134	73.8 Å²	73.8	58%	0.583	39%	0.39	S	S	*	.	H	α-helix	trans	-68.2	-45.7	174.5	-170.2	178.2	175.3	-174	0	111.8	N317 G321 S322 D323	N317-K319 PolarHBondContact O-N 3.36Å; K319-G321 PolarHBondContact O-N 3.19Å; K319-S322 PolarHBondContact O-N 3.4Å; K319-S322 PolarHBondContact O-OG 3.17Å; K319-D323 PolarHBondContact O-N 2.85Å
320	D	60.7	Low	67.4	Low	53 Å²	53	71.1 Å²	71.1	28%	0.283	38%	0.378	S	S	.	.	H	α-helix	trans	-69.8	-34.5	-176.9	-50	-37.9	0	0	0	111.7	H314 V316 N317 S322 D323 Y324	H314-D320 IonicContact NE2-OD2 3.76Å; V316-D320 HydrophobicContact CG1-CB 4.35Å; N317-D320 WeakPolarHBondContact CB-OD2 3.33Å; N317-D320 PolarHBondContact N-OD2 3.4Å; N317-D320 VanDerWaalsContact N-OD2 3.07Å; N317-D320 PolarHBondContact O-N 3.12Å; D320-S322 VanDerWaalsContact C-N 3.34Å; D320-S322 PolarHBondContact O-N 3.47Å; D320-D323 PolarHBondContact O-N 3.42Å; D320-Y324 WeakPolarHBondContact O-CB 3.46Å; D320-Y324 PolarHBondContact O-N 3Å
321	G	60.8	Low	69	Low	21 Å²	21	68.9 Å²	68.9	22%	0.216	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-35.5	174.1	0	0	0	0	0	113.8	N317 K319 Y324 H325	N317-G321 PolarHBondContact O-N 2.7Å; K319-G321 PolarHBondContact O-N 3.19Å; G321-Y324 WeakPolarHBondContact O-CB 3.27Å; G321-Y324 PolarHBondContact O-N 2.98Å; G321-H325 PolarHBondContact O-CD2 3Å; G321-H325 PolarHBondContact O-N 2.89Å
322	S	60.5	Low	71	Confident	22 Å²	22	63.9 Å²	63.9	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-75.6	-32.4	178	60.9	0	0	0	0	113.4	R286 K319 D320 S326	R286-S322 WeakPolarHBondContact CD-OG 3.49Å; R286-S322 PolarHBondContact NE-OG 2.82Å; R286-S322 VanDerWaalsContact NE-OG 3.09Å; K319-S322 PolarHBondContact O-N 3.4Å; K319-S322 PolarHBondContact O-OG 3.17Å; D320-S322 VanDerWaalsContact C-N 3.34Å; D320-S322 PolarHBondContact O-N 3.47Å; S322-S326 PolarHBondContact O-N 3.45Å; S322-S326 PolarHBondContact O-OG 3.05Å
323	D	75.3	Confident	73.1	Confident	21 Å²	21	57.8 Å²	57.8	11%	0.112	30%	0.297	C	S	.	.	H	α-helix	trans	-72.2	-35.5	172.8	-67.7	-6.1	0	0	0	110.2	R286 K319 D320 H325 S326 I327	R286-D323 WeakPolarHBondContact CD-OD1 3.42Å; R286-D323 IonicContact CZ-OD1 3.67Å; R286-D323 IonicContact NE-OD1 3.44Å; R286-D323 IonicContact NH1-OD1 3.73Å; R286-D323 PolarHBondContact NH1-OD1 2.99Å; K319-D323 PolarHBondContact O-N 2.85Å; D320-D323 PolarHBondContact O-N 3.42Å; D323-H325 PolarHBondContact O-N 3.07Å; D323-S326 WeakPolarHBondContact O-CB 3.36Å; D323-S326 PolarHBondContact O-N 3.04Å; D323-S326 VanDerWaalsContact O-N 3.12Å; D323-I327 PolarHBondContact O-N 3.39Å
324	Y	74.8	Confident	75.4	Confident	102 Å²	102	54.8 Å²	54.8	40%	0.4	27%	0.266	S	S	.	.	H	α-helix	trans	-57.3	-46.4	173.7	177.3	-97.8	0	0	0	112.8	D320 G321 S326 G328	D320-Y324 WeakPolarHBondContact O-CB 3.46Å; D320-Y324 PolarHBondContact O-N 3Å; G321-Y324 WeakPolarHBondContact O-CB 3.27Å; G321-Y324 PolarHBondContact O-N 2.98Å; Y324-S326 VanDerWaalsContact C-N 3.32Å; Y324-S326 PolarHBondContact O-N 2.84Å; Y324-G328 WeakPolarHBondContact O-CA 3.38Å; Y324-G328 PolarHBondContact O-N 3.19Å
325	H	82.4	Confident	77.2	Confident	55 Å²	55	52.8 Å²	52.8	26%	0.255	26%	0.258	S	S	.	.	H	α-helix	trans	-67.6	-33.6	175.7	-67.9	-57.6	0	0	0	112.8	N293 G321 D323 G328 A329	N293-H325 HydrophobicContact CB-CB 4.26Å; G321-H325 PolarHBondContact O-CD2 3Å; G321-H325 PolarHBondContact O-N 2.89Å; D323-H325 PolarHBondContact O-N 3.07Å; H325-G328 PolarHBondContact O-N 3.23Å; H325-A329 WeakPolarHBondContact O-CB 3.16Å; H325-A329 PolarHBondContact O-N 3.04Å
326	S	88.2	Confident	79.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.2	-45	-179.6	-60.5	0	0	0	0	112	R286 N293 S322 D323 Y324	R286-S326 WeakPolarHBondContact CB-OG 3.45Å; N293-S326 PolarHBondContact ND2-OG 3.08Å; S322-S326 PolarHBondContact O-N 3.45Å; S322-S326 PolarHBondContact O-OG 3.05Å; D323-S326 WeakPolarHBondContact O-CB 3.36Å; D323-S326 PolarHBondContact O-N 3.04Å; D323-S326 VanDerWaalsContact O-N 3.12Å; Y324-S326 VanDerWaalsContact C-N 3.32Å; Y324-S326 PolarHBondContact O-N 2.84Å
327	I	89.3	Confident	81.3	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-72.7	-39	173.6	-63.5	176.1	0	0	0	110.1	I283 D323 A329 M330 Q426 Q429 V430 Y433	I283-I327 HydrophobicContact CD1-CD1 3.97Å; I283-I327 HydrophobicContact CD1-CG1 3.91Å; I283-I327 HydrophobicContact CG1-CG1 4.31Å; D323-I327 PolarHBondContact O-N 3.39Å; I327-A329 VanDerWaalsContact C-N 3.25Å; I327-A329 PolarHBondContact O-N 2.99Å; I327-M330 WeakPolarHBondContact O-CA 3.31Å; I327-M330 WeakPolarHBondContact O-CB 3.47Å; I327-M330 WeakPolarHBondContact O-CG 3.43Å; I327-M330 PolarHBondContact O-N 3.14Å; I327-Q426 HydrophobicContact CD1-CB 3.96Å; I327-Q426 HydrophobicContact CD1-CG 3.62Å; I327-Q429 HydrophobicContact CG2-CG 3.89Å; I327-V430 HydrophobicContact CG2-CG2 4.1Å; I327-Y433 HydrophobicContact CG2-CE2 4.28Å
328	G	89.4	Confident	83.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-31.2	-178.9	0	0	0	0	0	113.9	R300 Y324 H325 M330 E331	R300-G328 PolarHBondContact NE-O 2.95Å; R300-G328 PolarHBondContact NH2-O 3.47Å; R300-G328 VanDerWaalsContact NH2-O 3.09Å; Y324-G328 WeakPolarHBondContact O-CA 3.38Å; Y324-G328 PolarHBondContact O-N 3.19Å; H325-G328 PolarHBondContact O-N 3.23Å; G328-M330 PolarHBondContact O-N 3.25Å; G328-E331 WeakPolarHBondContact O-CB 3.34Å; G328-E331 PolarHBondContact O-N 3.31Å
329	A	93.1	Very high	85.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-26.2	171	0	0	0	0	0	112.9	V296 V297 H325 I327 E331 V332 I333	V296-A329 HydrophobicContact CB-CB 4.22Å; V296-A329 HydrophobicContact CG1-CB 3.83Å; V297-A329 HydrophobicContact CG2-CB 4.22Å; H325-A329 WeakPolarHBondContact O-CB 3.16Å; H325-A329 PolarHBondContact O-N 3.04Å; I327-A329 VanDerWaalsContact C-N 3.25Å; I327-A329 PolarHBondContact O-N 2.99Å; A329-E331 VanDerWaalsContact C-N 3.26Å; A329-E331 PolarHBondContact O-N 3.38Å; A329-V332 PolarHBondContact O-N 2.84Å; A329-I333 HydrophobicContact CB-CD1 4.27Å; A329-I333 WeakPolarHBondContact O-CD1 3.34Å; A329-I333 VanDerWaalsContact O-CG1 3.28Å; A329-I333 WeakPolarHBondContact O-CG1 3.36Å; A329-I333 PolarHBondContact O-N 3.15Å
330	M	95.3	Very high	87.1	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-65.1	-28.6	178.5	-61.9	-58.9	-58.7	0	0	112.6	P275 V278 A279 I327 G328 V332 I333 C334 Y433	P275-M330 HydrophobicContact CB-CE 3.82Å; V278-M330 HydrophobicContact CB-CE 4.16Å; V278-M330 HydrophobicContact CB-SD 4.49Å; V278-M330 HydrophobicContact CG1-CE 3.99Å; V278-M330 HydrophobicContact CG1-SD 3.84Å; A279-M330 HydrophobicContact CB-CG 4.12Å; A279-M330 HydrophobicContact CB-SD 4.47Å; I327-M330 WeakPolarHBondContact O-CA 3.31Å; I327-M330 WeakPolarHBondContact O-CB 3.47Å; I327-M330 WeakPolarHBondContact O-CG 3.43Å; I327-M330 PolarHBondContact O-N 3.14Å; G328-M330 PolarHBondContact O-N 3.25Å; M330-V332 PolarHBondContact O-N 3.5Å; M330-I333 PolarHBondContact O-N 3.19Å; M330-I333 HydrophobicContact SD-CD1 4.23Å; M330-C334 WeakPolarHBondContact O-CB 3.39Å; M330-C334 PolarHBondContact O-N 2.84Å; M330-C334 PolarHBondContact O-SG 3.11Å; M330-Y433 HydrophobicContact CB-CD2 4.27Å
331	E	93.2	Very high	88.9	Confident	19 Å²	19	24.3 Å²	24.3	9%	0.089	12%	0.118	C	C	.	.	H	α-helix	trans	-55.2	-51.8	174.5	-175.5	-176	157.3	0	0	111	R300 R306 G328 A329 D335 Y433	R300-E331 IonicContact CZ-OE2 3.08Å; R300-E331 IonicContact NE-OE2 2.85Å; R300-E331 PolarHBondContact NE-OE2 3.33Å; R300-E331 IonicContact NH2-OE2 3.69Å; R300-E331 PolarHBondContact NH2-OE2 3.1Å; R306-E331 IonicContact CZ-OE1 2.82Å; R306-E331 IonicContact NE-OE1 2.78Å; R306-E331 PolarHBondContact NE-OE1 3.34Å; R306-E331 IonicContact NE-OE2 3.25Å; R306-E331 PolarHBondContact NE-OE2 3.43Å; R306-E331 IonicContact NH2-OE1 3.18Å; R306-E331 PolarHBondContact NH2-OE1 3.39Å; G328-E331 WeakPolarHBondContact O-CB 3.34Å; G328-E331 PolarHBondContact O-N 3.31Å; A329-E331 VanDerWaalsContact C-N 3.26Å; A329-E331 PolarHBondContact O-N 3.38Å; E331-D335 WeakPolarHBondContact O-CB 3.44Å; E331-D335 PolarHBondContact O-N 3.32Å; E331-Y433 HydrophobicContact CB-CD1 4.11Å; E331-Y433 HydrophobicContact CB-CD2 3.98Å; E331-Y433 HydrophobicContact CB-CE1 4.21Å; E331-Y433 HydrophobicContact CB-CE2 4.08Å; E331-Y433 HydrophobicContact CB-CG 4.01Å; E331-Y433 HydrophobicContact CG-CD1 4.14Å; E331-Y433 HydrophobicContact CG-CE1 4.19Å; E331-Y433 HydrophobicContact CG-CG 4.49Å
332	V	94.4	Very high	90.6	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-73.4	-42.2	-179.4	178.7	0	0	0	0	111	V296 R300 A329 M330 C334 D335 R336	V296-V332 HydrophobicContact CG1-CB 3.75Å; V296-V332 HydrophobicContact CG1-CG1 4.05Å; V296-V332 HydrophobicContact CG1-CG2 4.42Å; V296-V332 WeakPolarHBondContact O-CG2 3.12Å; R300-V332 HydrophobicContact CB-CG2 4.32Å; R300-V332 HydrophobicContact CG-CG2 3.58Å; A329-V332 PolarHBondContact O-N 2.84Å; M330-V332 PolarHBondContact O-N 3.5Å; V332-C334 VanDerWaalsContact C-N 3.32Å; V332-C334 PolarHBondContact O-N 3.06Å; V332-D335 PolarHBondContact O-N 3.42Å; V332-R336 HydrophobicContact CG1-CG 4.28Å; V332-R336 WeakPolarHBondContact O-CB 3.47Å; V332-R336 VanDerWaalsContact O-CG 3.24Å; V332-R336 WeakPolarHBondContact O-CG 3.05Å; V332-R336 PolarHBondContact O-N 2.95Å
333	I	96.1	Very high	92.4	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-44.9	179	-68.7	164.4	0	0	0	110.4	T115 V296 A329 M330 R336 T337	T115-I333 HydrophobicContact CG2-CG2 3.96Å; T115-I333 WeakPolarHBondContact OG1-CG2 3.22Å; V296-I333 HydrophobicContact CG1-CG1 4.17Å; A329-I333 HydrophobicContact CB-CD1 4.27Å; A329-I333 WeakPolarHBondContact O-CD1 3.34Å; A329-I333 VanDerWaalsContact O-CG1 3.28Å; A329-I333 WeakPolarHBondContact O-CG1 3.36Å; A329-I333 PolarHBondContact O-N 3.15Å; M330-I333 PolarHBondContact O-N 3.19Å; M330-I333 HydrophobicContact SD-CD1 4.23Å; I333-R336 PolarHBondContact O-N 3.13Å; I333-T337 VanDerWaalsContact O-CB 3.29Å; I333-T337 WeakPolarHBondContact O-CB 3.43Å; I333-T337 PolarHBondContact O-N 3.16Å; I333-T337 PolarHBondContact O-OG1 3.17Å
334	C	96.5	Very high	93.4	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.027	13%	0.134	C	C	.	.	H	α-helix	trans	-76.1	-32.5	-178.6	-73.4	0	0	0	0	113.4	M330 V332 S338 Y433 C434 S437	M330-C334 WeakPolarHBondContact O-CB 3.39Å; M330-C334 PolarHBondContact O-N 2.84Å; M330-C334 PolarHBondContact O-SG 3.11Å; V332-C334 VanDerWaalsContact C-N 3.32Å; V332-C334 PolarHBondContact O-N 3.06Å; C334-S338 VanDerWaalsContact O-CB 3.25Å; C334-S338 WeakPolarHBondContact O-CB 3.42Å; C334-S338 PolarHBondContact O-N 3.3Å; C334-S338 PolarHBondContact O-OG 3Å; C334-Y433 WeakPolarHBondContact CB-O 3.29Å; C334-C434 HydrophobicContact CB-CB 3.71Å; C334-C434 WeakPolarHBondContact CB-SG 3.42Å; C334-C434 WeakPolarHBondContact SG-CB 3.45Å; C334-C434 CovalentContact SG-SG 2.02Å; C334-C434 PolarHBondContact SG-SG 3.18Å; C334-S437 PolarHBondContact O-OG 2.94Å
335	D	95.4	Very high	94.5	Very high	60 Å²	60	28.4 Å²	28.4	32%	0.321	13%	0.131	S	C	.	.	H	α-helix	trans	-59.7	-50.3	168.5	170	71.5	0	0	0	110.8	E331 V332 T337 S338 R339	E331-D335 WeakPolarHBondContact O-CB 3.44Å; E331-D335 PolarHBondContact O-N 3.32Å; V332-D335 PolarHBondContact O-N 3.42Å; D335-T337 PolarHBondContact O-N 3.42Å; D335-S338 WeakPolarHBondContact O-CB 3.15Å; D335-S338 PolarHBondContact O-N 2.91Å; D335-S338 VanDerWaalsContact O-N 3.17Å; D335-R339 WeakPolarHBondContact O-CG 3.37Å; D335-R339 PolarHBondContact O-N 3.27Å; D335-R339 IonicContact OD1-NE 3.85Å; D335-R339 IonicContact OD1-NH2 3.35Å; D335-R339 IonicContact OD2-CZ 3.64Å; D335-R339 IonicContact OD2-NE 3.55Å; D335-R339 PolarHBondContact OD2-NE 2.95Å; D335-R339 VanDerWaalsContact OD2-NE 3.11Å; D335-R339 IonicContact OD2-NH2 3.11Å; D335-R339 PolarHBondContact OD2-NH2 3.44Å
336	R	95.8	Very high	95.1	Very high	39 Å²	39	31.9 Å²	31.9	15%	0.147	15%	0.151	C	C	.	.	H	α-helix	trans	-67.1	-38	-179.2	-64.1	-63.5	-171	-112.4	9.2	112.9	L250 V332 I333 S338 R339 T340	L250-R336 HydrophobicContact CB-CB 3.98Å; L250-R336 HydrophobicContact CB-CG 4.02Å; L250-R336 HydrophobicContact CD1-CG 4.38Å; L250-R336 WeakPolarHBondContact O-CB 3.41Å; V332-R336 HydrophobicContact CG1-CG 4.28Å; V332-R336 WeakPolarHBondContact O-CB 3.47Å; V332-R336 VanDerWaalsContact O-CG 3.24Å; V332-R336 WeakPolarHBondContact O-CG 3.05Å; V332-R336 PolarHBondContact O-N 2.95Å; I333-R336 PolarHBondContact O-N 3.13Å; R336-S338 VanDerWaalsContact C-N 3.35Å; R336-R339 VanDerWaalsContact NH1-NH2 3.17Å; R336-R339 PolarHBondContact O-N 3.06Å; R336-T340 PolarHBondContact O-N 3.01Å; R336-T340 PolarHBondContact O-OG1 2.69Å
337	T	96.8	Very high	95.6	Very high	23 Å²	23	34.5 Å²	34.5	14%	0.141	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-45.9	171	-56.9	0	0	0	0	110.2	I333 D335 R339 T340 L341	I333-T337 VanDerWaalsContact O-CB 3.29Å; I333-T337 WeakPolarHBondContact O-CB 3.43Å; I333-T337 PolarHBondContact O-N 3.16Å; I333-T337 PolarHBondContact O-OG1 3.17Å; D335-T337 PolarHBondContact O-N 3.42Å; T337-R339 VanDerWaalsContact C-N 3.29Å; T337-R339 PolarHBondContact O-N 3.13Å; T337-T340 WeakPolarHBondContact O-CB 3.44Å; T337-T340 PolarHBondContact O-N 2.75Å; T337-T340 VanDerWaalsContact O-N 3.09Å; T337-L341 HydrophobicContact CG2-CD1 3.87Å; T337-L341 HydrophobicContact CG2-CG 4.1Å; T337-L341 VanDerWaalsContact O-CG 3.24Å; T337-L341 WeakPolarHBondContact O-CG 3.38Å; T337-L341 PolarHBondContact O-N 3.3Å
338	S	96.6	Very high	96	Very high	13 Å²	13	36.3 Å²	36.3	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-59	-38.9	178.7	-62.7	0	0	0	0	112.6	C334 D335 R336 L341 R342 S437	C334-S338 VanDerWaalsContact O-CB 3.25Å; C334-S338 WeakPolarHBondContact O-CB 3.42Å; C334-S338 PolarHBondContact O-N 3.3Å; C334-S338 PolarHBondContact O-OG 3Å; D335-S338 WeakPolarHBondContact O-CB 3.15Å; D335-S338 PolarHBondContact O-N 2.91Å; D335-S338 VanDerWaalsContact O-N 3.17Å; R336-S338 VanDerWaalsContact C-N 3.35Å; S338-L341 PolarHBondContact O-N 3.11Å; S338-R342 WeakPolarHBondContact O-CB 3.25Å; S338-R342 PolarHBondContact O-N 3.1Å; S338-S437 WeakPolarHBondContact CA-OG 3.23Å; S338-S437 PolarHBondContact N-OG 3.34Å; S338-S437 PolarHBondContact OG-OG 3.33Å
339	R	96.6	Very high	96.4	Very high	109 Å²	109	39.7 Å²	39.7	41%	0.411	22%	0.216	S	C	.	.	H	α-helix	trans	-63.8	-47	173.3	-65.5	175.8	-166.9	-145.2	-5	111.9	D335 R336 T337 L341 R342 T343	D335-R339 WeakPolarHBondContact O-CG 3.37Å; D335-R339 PolarHBondContact O-N 3.27Å; D335-R339 IonicContact OD1-NE 3.85Å; D335-R339 IonicContact OD1-NH2 3.35Å; D335-R339 IonicContact OD2-CZ 3.64Å; D335-R339 IonicContact OD2-NE 3.55Å; D335-R339 PolarHBondContact OD2-NE 2.95Å; D335-R339 VanDerWaalsContact OD2-NE 3.11Å; D335-R339 IonicContact OD2-NH2 3.11Å; D335-R339 PolarHBondContact OD2-NH2 3.44Å; R336-R339 VanDerWaalsContact NH1-NH2 3.17Å; R336-R339 PolarHBondContact O-N 3.06Å; T337-R339 VanDerWaalsContact C-N 3.29Å; T337-R339 PolarHBondContact O-N 3.13Å; R339-L341 VanDerWaalsContact C-N 3.33Å; R339-L341 PolarHBondContact O-N 3.49Å; R339-R342 WeakPolarHBondContact O-CB 3.48Å; R339-R342 PolarHBondContact O-N 3.25Å; R339-T343 PolarHBondContact O-N 3.31Å; R339-T343 PolarHBondContact O-OG1 3.47Å
340	T	97.9	Very high	96.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-46.6	175.6	-68.2	0	0	0	0	111.7	L113 D251 V252 H270 R336 T337 R342 T343 A344 Y355	L113-T340 HydrophobicContact CD2-CG2 3.96Å; D251-T340 WeakPolarHBondContact CA-OG1 3.24Å; V252-T340 HydrophobicContact CB-CG2 3.8Å; V252-T340 HydrophobicContact CG1-CG2 3.79Å; V252-T340 PolarHBondContact N-OG1 2.94Å; V252-T340 VanDerWaalsContact N-OG1 3.07Å; H270-T340 WeakPolarHBondContact ND1-CG2 3.27Å; R336-T340 PolarHBondContact O-N 3.01Å; R336-T340 PolarHBondContact O-OG1 2.69Å; T337-T340 WeakPolarHBondContact O-CB 3.44Å; T337-T340 PolarHBondContact O-N 2.75Å; T337-T340 VanDerWaalsContact O-N 3.09Å; T340-R342 VanDerWaalsContact C-N 3.32Å; T340-R342 PolarHBondContact O-N 2.79Å; T340-T343 PolarHBondContact O-N 3.38Å; T340-A344 WeakPolarHBondContact O-CB 3.07Å; T340-A344 PolarHBondContact O-N 2.99Å; T340-Y355 HydrophobicContact CG2-CE2 4.48Å
341	L	97.6	Very high	96.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-37	179.5	-63.1	172.7	0	0	0	111.6	T337 S338 R339 A344 L345 V440 L441 L465	T337-L341 HydrophobicContact CG2-CD1 3.87Å; T337-L341 HydrophobicContact CG2-CG 4.1Å; T337-L341 VanDerWaalsContact O-CG 3.24Å; T337-L341 WeakPolarHBondContact O-CG 3.38Å; T337-L341 PolarHBondContact O-N 3.3Å; S338-L341 PolarHBondContact O-N 3.11Å; R339-L341 VanDerWaalsContact C-N 3.33Å; R339-L341 PolarHBondContact O-N 3.49Å; L341-A344 PolarHBondContact O-N 3.42Å; L341-L345 WeakPolarHBondContact O-CB 3.21Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.42Å; L341-L345 PolarHBondContact O-N 3.04Å; L341-V440 HydrophobicContact CB-CG1 4.19Å; L341-V440 HydrophobicContact CD1-CB 4.28Å; L341-V440 HydrophobicContact CD1-CG1 4.36Å; L341-L441 HydrophobicContact CD1-CD1 3.96Å; L341-L441 HydrophobicContact CD1-CD2 4.24Å; L341-L441 HydrophobicContact CD1-CG 3.85Å; L341-L441 HydrophobicContact CD2-CD1 4.44Å; L341-L441 HydrophobicContact CD2-CD2 3.62Å; L341-L441 HydrophobicContact CD2-CG 4.16Å; L341-L465 HydrophobicContact CD2-CD1 3.37Å
342	R	97.4	Very high	96.9	Very high	155 Å²	155	47.8 Å²	47.8	59%	0.585	25%	0.25	S	C	*	.	H	α-helix	trans	-62.5	-45.5	174.3	-173.9	-176.1	-60.5	176.9	0.7	111.8	S338 R339 T340 A344 L345 N346	S338-R342 WeakPolarHBondContact O-CB 3.25Å; S338-R342 PolarHBondContact O-N 3.1Å; R339-R342 WeakPolarHBondContact O-CB 3.48Å; R339-R342 PolarHBondContact O-N 3.25Å; T340-R342 VanDerWaalsContact C-N 3.32Å; T340-R342 PolarHBondContact O-N 2.79Å; R342-A344 VanDerWaalsContact C-N 3.32Å; R342-L345 PolarHBondContact O-N 3.42Å; R342-N346 PolarHBondContact O-N 3.31Å
343	T	97.9	Very high	97	Very high	21 Å²	21	50.8 Å²	50.8	13%	0.129	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-41.7	173.8	-57.2	0	0	0	0	110.5	V252 N253 R339 T340 L345 N346 P347 P348 W350 L351	V252-T343 HydrophobicContact CG1-CG2 4.12Å; N253-T343 PolarHBondContact ND2-OG1 2.92Å; N253-T343 WeakPolarHBondContact OD1-CG2 3.34Å; N253-T343 PolarHBondContact OD1-OG1 2.02Å; R339-T343 PolarHBondContact O-N 3.31Å; R339-T343 PolarHBondContact O-OG1 3.47Å; T340-T343 PolarHBondContact O-N 3.38Å; T343-L345 PolarHBondContact O-N 2.82Å; T343-N346 CarbonylContact O-C 3.55Å; T343-N346 PolarHBondContact O-N 3.31Å; T343-N346 VanDerWaalsContact O-O 3.08Å; T343-P347 WeakPolarHBondContact O-CA 3.04Å; T343-P348 HydrophobicContact CG2-CG 4.11Å; T343-W350 HydrophobicContact CG2-CH2 4.14Å; T343-W350 HydrophobicContact CG2-CZ2 4.23Å; T343-L351 HydrophobicContact CG2-CD2 3.72Å
344	A	97.2	Very high	97.1	Very high	12 Å²	12	53.1 Å²	53.1	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-33.3	-179.6	0	0	0	0	0	113.8	T340 L341 R342 N346 Y355 L465	T340-A344 WeakPolarHBondContact O-CB 3.07Å; T340-A344 PolarHBondContact O-N 2.99Å; L341-A344 PolarHBondContact O-N 3.42Å; R342-A344 VanDerWaalsContact C-N 3.32Å; A344-N346 VanDerWaalsContact C-N 3.35Å; A344-Y355 HydrophobicContact CB-CD1 3.94Å; A344-Y355 HydrophobicContact CB-CE1 3.41Å; A344-Y355 VanDerWaalsContact CB-CE1 3.41Å; A344-Y355 HydrophobicContact CB-CE2 4.21Å; A344-L465 HydrophobicContact CB-CD2 3.65Å
345	L	97.1	Very high	97.2	Very high	64 Å²	64	54.6 Å²	54.6	34%	0.335	30%	0.297	S	S	.	.	H	α-helix	trans	-68.8	-33.1	175.4	-77.1	168.4	0	0	0	112.5	L341 R342 T343 P347 V440 K464 L465	L341-L345 WeakPolarHBondContact O-CB 3.21Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.42Å; L341-L345 PolarHBondContact O-N 3.04Å; R342-L345 PolarHBondContact O-N 3.42Å; T343-L345 PolarHBondContact O-N 2.82Å; L345-P347 WeakPolarHBondContact O-CD 3.17Å; L345-V440 HydrophobicContact CD1-CG1 3.86Å; L345-V440 HydrophobicContact CD1-CG2 3.93Å; L345-V440 HydrophobicContact CD2-CG1 4.33Å; L345-V440 HydrophobicContact CG-CG1 4.24Å; L345-K464 HydrophobicContact CD2-CB 4.16Å; L345-K464 WeakPolarHBondContact CD2-O 3.38Å; L345-L465 HydrophobicContact CD2-CD2 3.84Å; L345-L465 HydrophobicContact CD2-CG 4.39Å; L345-L465 HydrophobicContact CG-CD2 3.88Å
346	N	96.4	Very high	97.3	Very high	128 Å²	128	53.4 Å²	53.4	68%	0.684	29%	0.29	S	S	*	.	S	Bend	trans	-125.2	71.5	177.2	-60.9	-75.9	0	0	0	109	R342 T343 A344	R342-N346 PolarHBondContact O-N 3.31Å; T343-N346 CarbonylContact O-C 3.55Å; T343-N346 PolarHBondContact O-N 3.31Å; T343-N346 VanDerWaalsContact O-O 3.08Å; A344-N346 VanDerWaalsContact C-N 3.35Å
347	P	97.3	Very high	97.4	Very high	56 Å²	56	52.9 Å²	52.9	36%	0.364	29%	0.294	S	S	.	.			trans	-68.8	126.1	-166.7	26.6	-33.5	0	0	0	111.2	T343 L345 L351 K352	T343-P347 WeakPolarHBondContact O-CA 3.04Å; L345-P347 WeakPolarHBondContact O-CD 3.17Å; P347-L351 HydrophobicContact CB-CB 4.18Å; P347-L351 HydrophobicContact CB-CD2 4.38Å; P347-L351 HydrophobicContact CB-CG 4.37Å; P347-K352 HydrophobicContact CB-CB 4.42Å
348	P	98	Very high	97.5	Very high	43 Å²	43	52.1 Å²	52.1	28%	0.279	29%	0.289	S	S	.	.			trans	-64.8	167.1	169.3	28.8	-35.5	0	0	0	110.9	T343 W350 L351 K352	T343-P348 HydrophobicContact CG2-CG 4.11Å; P348-W350 HydrophobicContact CB-CG 4.49Å; P348-W350 HydrophobicContact CG-CD2 3.83Å; P348-W350 HydrophobicContact CG-CG 4.24Å; P348-W350 HydrophobicContact CG-CH2 4.2Å; P348-W350 HydrophobicContact CG-CZ2 3.39Å; P348-W350 VanDerWaalsContact CG-NE1 3.29Å; P348-W350 PolarHBondContact O-N 3.49Å; P348-W350 VanDerWaalsContact O-N 3.14Å; P348-L351 HydrophobicContact CG-CB 4.05Å; P348-L351 PolarHBondContact O-N 3.38Å; P348-K352 PolarHBondContact O-N 3.35Å
349	G	97.9	Very high	97.5	Very high	72 Å²	72	53 Å²	53	74%	0.742	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.6	-175.7	0	0	0	0	0	114	L351	G349-L351 VanDerWaalsContact C-N 3.3Å; G349-L351 PolarHBondContact O-N 3.14Å
350	W	97.3	Very high	97.6	Very high	34 Å²	34	48.5 Å²	48.5	13%	0.129	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.3	178.1	58.4	-105	0	0	0	114.4	V252 A256 M259 E260 T343 P348	V252-W350 HydrophobicContact CG2-CZ3 4.48Å; A256-W350 HydrophobicContact CB-CD2 4.05Å; A256-W350 HydrophobicContact CB-CE3 4.38Å; A256-W350 HydrophobicContact CB-CH2 4.11Å; A256-W350 HydrophobicContact CB-CZ2 3.73Å; A256-W350 HydrophobicContact CB-CZ3 4.38Å; M259-W350 HydrophobicContact CB-CB 4.34Å; M259-W350 HydrophobicContact CB-CE3 3.85Å; M259-W350 HydrophobicContact CE-CE3 4.3Å; M259-W350 HydrophobicContact CG-CE3 4.25Å; M259-W350 HydrophobicContact SD-CE3 3.6Å; M259-W350 HydrophobicContact SD-CZ3 3.58Å; M259-W350 VanDerWaalsContact SD-CZ3 3.58Å; E260-W350 HydrophobicContact CG-CB 3.51Å; E260-W350 HydrophobicContact CG-CG 3.94Å; T343-W350 HydrophobicContact CG2-CH2 4.14Å; T343-W350 HydrophobicContact CG2-CZ2 4.23Å; P348-W350 HydrophobicContact CB-CG 4.49Å; P348-W350 HydrophobicContact CG-CD2 3.83Å; P348-W350 HydrophobicContact CG-CG 4.24Å; P348-W350 HydrophobicContact CG-CH2 4.2Å; P348-W350 HydrophobicContact CG-CZ2 3.39Å; P348-W350 VanDerWaalsContact CG-NE1 3.29Å; P348-W350 PolarHBondContact O-N 3.49Å; P348-W350 VanDerWaalsContact O-N 3.14Å
351	L	97.9	Very high	97.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-28.1	-178.5	-166.6	59.1	0	0	0	112.9	V252 M259 T343 P347 P348 G349 G353 K354 Y355	V252-L351 HydrophobicContact CG2-CD1 4.08Å; M259-L351 HydrophobicContact CE-CD1 3.7Å; M259-L351 HydrophobicContact SD-CD1 3.93Å; T343-L351 HydrophobicContact CG2-CD2 3.72Å; P347-L351 HydrophobicContact CB-CB 4.18Å; P347-L351 HydrophobicContact CB-CD2 4.38Å; P347-L351 HydrophobicContact CB-CG 4.37Å; P348-L351 HydrophobicContact CG-CB 4.05Å; P348-L351 PolarHBondContact O-N 3.38Å; G349-L351 VanDerWaalsContact C-N 3.3Å; G349-L351 PolarHBondContact O-N 3.14Å; L351-G353 PolarHBondContact O-N 3.2Å; L351-K354 PolarHBondContact O-N 3.16Å; L351-Y355 HydrophobicContact CD1-CD2 4.06Å; L351-Y355 HydrophobicContact CD1-CG 4.18Å; L351-Y355 HydrophobicContact CG-CG 4.41Å; L351-Y355 PolarHBondContact O-N 2.86Å
352	K	96.9	Very high	97.6	Very high	156 Å²	156	51.6 Å²	51.6	68%	0.678	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	125.3	-174.5	-170	176	-178.7	179.2	0	111.1	P347 P348 K354	P347-K352 HydrophobicContact CB-CB 4.42Å; P348-K352 PolarHBondContact O-N 3.35Å; K352-K354 PolarHBondContact O-N 3.46Å
353	G	96.1	Very high	97.6	Very high	69 Å²	69	44.2 Å²	44.2	71%	0.711	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-3.5	-177.1	0	0	0	0	0	115.4	L351	L351-G353 PolarHBondContact O-N 3.2Å
354	K	97.8	Very high	97.5	Very high	55 Å²	55	43.5 Å²	43.5	24%	0.239	26%	0.258	C	S	.	.	S	Bend	trans	-111.7	8.5	-179.4	-66.8	-179.2	172.2	-173	0	113.3	M259 K267 V268 L351 K352	M259-K354 HydrophobicContact CE-CB 3.66Å; M259-K354 HydrophobicContact CE-CD 4.22Å; M259-K354 PolarHBondContact O-NZ 3.05Å; K267-K354 CarbonylContact C-O 3.49Å; K267-K354 WeakPolarHBondContact CA-O 3.42Å; V268-K354 PolarHBondContact N-O 3.44Å; L351-K354 PolarHBondContact O-N 3.16Å; K352-K354 PolarHBondContact O-N 3.46Å
355	Y	98.5	Very high	97.4	Very high	35 Å²	35	48.8 Å²	48.8	14%	0.137	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.7	178.8	177.4	-86.2	0	0	0	111.9	V252 V268 H270 T340 A344 L351 A357	V252-Y355 HydrophobicContact CG2-CD2 4.47Å; V268-Y355 HydrophobicContact CB-CD2 4.1Å; V268-Y355 HydrophobicContact CG1-CD2 3.98Å; V268-Y355 HydrophobicContact CG1-CE2 4.3Å; V268-Y355 WeakPolarHBondContact O-CA 3.24Å; H270-Y355 HydrophobicContact CB-CE2 3.53Å; H270-Y355 WeakPolarHBondContact CB-OH 3.44Å; H270-Y355 AromaticContact ND1-CZ 3.8Å; H270-Y355 PolarHBondContact ND1-OH 3.28Å; T340-Y355 HydrophobicContact CG2-CE2 4.48Å; A344-Y355 HydrophobicContact CB-CD1 3.94Å; A344-Y355 HydrophobicContact CB-CE1 3.41Å; A344-Y355 VanDerWaalsContact CB-CE1 3.41Å; A344-Y355 HydrophobicContact CB-CE2 4.21Å; L351-Y355 HydrophobicContact CD1-CD2 4.06Å; L351-Y355 HydrophobicContact CD1-CG 4.18Å; L351-Y355 HydrophobicContact CG-CG 4.41Å; L351-Y355 PolarHBondContact O-N 2.86Å; Y355-A357 HydrophobicContact CE1-CB 4.01Å
356	M	98.3	Very high	97.4	Very high	34 Å²	34	49.4 Å²	49.4	17%	0.167	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.4	171.4	180	-174.7	-176.5	0	0	109.5	V268 I269 H270 V358 S373 V374 F377	V268-M356 PolarHBondContact O-N 2.89Å; I269-M356 CarbonylContact C-O 3.51Å; I269-M356 WeakPolarHBondContact CA-O 3.4Å; H270-M356 PolarHBondContact N-O 3.34Å; M356-V358 HydrophobicContact CE-CG2 3.94Å; M356-V358 HydrophobicContact CG-CG2 4.26Å; M356-V358 HydrophobicContact SD-CG2 4.16Å; M356-S373 WeakPolarHBondContact CE-OG 3.42Å; M356-V374 HydrophobicContact CE-CG2 4.07Å; M356-V374 HydrophobicContact SD-CG2 4.29Å; M356-F377 HydrophobicContact CB-CD1 3.84Å; M356-F377 HydrophobicContact CB-CD2 3.96Å; M356-F377 HydrophobicContact CB-CE1 3.79Å; M356-F377 HydrophobicContact CB-CE2 3.91Å; M356-F377 HydrophobicContact CB-CG 3.92Å; M356-F377 HydrophobicContact CB-CZ 3.82Å; M356-F377 HydrophobicContact CG-CG 4.46Å; M356-F377 HydrophobicContact SD-CB 3.69Å; M356-F377 HydrophobicContact SD-CD1 4.12Å; M356-F377 HydrophobicContact SD-CG 3.85Å
357	A	98.2	Very high	97.4	Very high	29 Å²	29	43.7 Å²	43.7	24%	0.24	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.4	167.4	0	0	0	0	0	110.5	H270 Y355 L465	H270-A357 WeakPolarHBondContact O-CA 3.24Å; Y355-A357 HydrophobicContact CE1-CB 4.01Å; A357-L465 HydrophobicContact CB-CB 4.19Å; A357-L465 HydrophobicContact CB-CD1 3.77Å
358	V	98.4	Very high	97.5	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.5	175.5	-178.6	0	0	0	0	108.1	F123 I269 H270 L271 V272 M356 T370 V374	F123-V358 HydrophobicContact CE2-CG1 4.03Å; F123-V358 HydrophobicContact CZ-CG1 4.49Å; F123-V358 HydrophobicContact CZ-CG2 4.29Å; I269-V358 HydrophobicContact CG2-CG2 3.76Å; H270-V358 PolarHBondContact O-N 3.36Å; L271-V358 WeakPolarHBondContact CA-O 3.46Å; L271-V358 HydrophobicContact CD1-CB 4.34Å; L271-V358 HydrophobicContact CD1-CG1 4.18Å; V272-V358 WeakPolarHBondContact CG2-O 3.15Å; V272-V358 PolarHBondContact N-O 3.18Å; M356-V358 HydrophobicContact CE-CG2 3.94Å; M356-V358 HydrophobicContact CG-CG2 4.26Å; M356-V358 HydrophobicContact SD-CG2 4.16Å; V358-T370 HydrophobicContact CG1-CG2 3.77Å; V358-V374 HydrophobicContact CG1-CG2 4.4Å; V358-V374 HydrophobicContact CG2-CG2 3.61Å
359	R	97.9	Very high	97.5	Very high	31 Å²	31	47.8 Å²	47.8	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.7	174.5	-177.1	165.6	67.5	179.1	7.7	110	V272 E361 D362 L363 L441 G442 Y443 T461	V272-R359 HydrophobicContact CG2-CB 4.21Å; R359-E361 HydrophobicContact CG-CB 4.18Å; R359-E361 WeakPolarHBondContact CG-OE2 3.35Å; R359-E361 PolarHBondContact O-N 3.5Å; R359-D362 HydrophobicContact CB-CB 4.42Å; R359-D362 WeakPolarHBondContact CB-OD2 3.48Å; R359-D362 IonicContact CZ-OD1 3.76Å; R359-D362 VanDerWaalsContact CZ-OD1 3.26Å; R359-D362 IonicContact CZ-OD2 3.4Å; R359-D362 VanDerWaalsContact NE-CG 3.33Å; R359-D362 IonicContact NE-OD1 2.76Å; R359-D362 PolarHBondContact NE-OD1 2.93Å; R359-D362 IonicContact NE-OD2 3.26Å; R359-D362 PolarHBondContact NE-OD2 3.41Å; R359-D362 VanDerWaalsContact NE-OD2 3.16Å; R359-D362 IonicContact NH2-OD1 3.87Å; R359-D362 PolarHBondContact NH2-OD1 3.33Å; R359-D362 IonicContact NH2-OD2 2.73Å; R359-D362 PolarHBondContact O-N 3.35Å; R359-D362 VanDerWaalsContact O-N 3.14Å; R359-L363 PolarHBondContact O-N 3.37Å; R359-L363 VanDerWaalsContact O-N 3.08Å; R359-L441 PolarHBondContact NH1-O 3.07Å; R359-G442 PolarHBondContact NH1-O 3.09Å; R359-Y443 WeakPolarHBondContact CD-OH 3.15Å; R359-Y443 HydrophobicContact CG-CE1 4.44Å; R359-Y443 WeakPolarHBondContact CG-OH 3.32Å; R359-T461 PolarHBondContact NH1-O 3.49Å
360	Y	98.1	Very high	97.5	Very high	15 Å²	15	45.3 Å²	45.3	6%	0.059	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-36.7	-176.9	179	-103.2	0	0	0	112.2	S118 F122 V272 R273 L363 V364 A415	S118-Y360 WeakPolarHBondContact O-CD2 3.47Å; F122-Y360 HydrophobicContact CD1-CE2 4.38Å; V272-Y360 WeakPolarHBondContact O-CB 3.49Å; V272-Y360 PolarHBondContact O-N 3.38Å; R273-Y360 HydrophobicContact CG-CD1 3.97Å; R273-Y360 HydrophobicContact CG-CG 4.23Å; Y360-L363 HydrophobicContact CD2-CD2 4.15Å; Y360-L363 HydrophobicContact CE2-CD2 4.43Å; Y360-L363 WeakPolarHBondContact O-CB 3.44Å; Y360-L363 PolarHBondContact O-N 2.9Å; Y360-V364 HydrophobicContact CD1-CG1 4.21Å; Y360-V364 HydrophobicContact CD2-CG1 4.23Å; Y360-V364 HydrophobicContact CE1-CG1 3.69Å; Y360-V364 HydrophobicContact CE2-CG1 3.69Å; Y360-V364 HydrophobicContact CG-CG1 4.47Å; Y360-V364 WeakPolarHBondContact O-CG1 3.26Å; Y360-V364 WeakPolarHBondContact O-CG2 3.46Å; Y360-V364 PolarHBondContact O-N 3.4Å; Y360-A415 HydrophobicContact CD1-CB 4.49Å; Y360-A415 HydrophobicContact CE1-CB 4.29Å
361	E	97.4	Very high	97.5	Very high	15 Å²	15	43.7 Å²	43.7	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-43.6	177.1	-66.9	71.3	-163	0	0	111.1	R273 D274 R359 L363 V364 E365 A415 Y443 L460	R273-E361 WeakPolarHBondContact CG-OE1 3.45Å; D274-E361 WeakPolarHBondContact CB-OE1 3.39Å; D274-E361 PolarHBondContact N-OE1 3.24Å; R359-E361 HydrophobicContact CG-CB 4.18Å; R359-E361 WeakPolarHBondContact CG-OE2 3.35Å; R359-E361 PolarHBondContact O-N 3.5Å; E361-L363 VanDerWaalsContact C-N 3.33Å; E361-L363 PolarHBondContact O-N 3.29Å; E361-V364 WeakPolarHBondContact O-CG2 3.28Å; E361-V364 PolarHBondContact O-N 2.92Å; E361-E365 VanDerWaalsContact O-CB 3.3Å; E361-E365 WeakPolarHBondContact O-CB 3.38Å; E361-E365 PolarHBondContact O-N 3.11Å; E361-A415 HydrophobicContact CG-CB 4.41Å; E361-Y443 PolarHBondContact OE2-OH 2.67Å; E361-Y443 VanDerWaalsContact OE2-OH 3.1Å; E361-L460 HydrophobicContact CB-CD1 3.73Å; E361-L460 HydrophobicContact CG-CD1 4.15Å; E361-L460 HydrophobicContact CG-CD2 4.34Å
362	D	96.8	Very high	97.6	Very high	52 Å²	52	49.4 Å²	49.4	28%	0.278	25%	0.25	S	C	.	.	H	α-helix	trans	-68.3	-34.3	176.6	-56.3	-15.8	0	0	0	111.6	R359 N366 T370	R359-D362 HydrophobicContact CB-CB 4.42Å; R359-D362 WeakPolarHBondContact CB-OD2 3.48Å; R359-D362 IonicContact CZ-OD1 3.76Å; R359-D362 VanDerWaalsContact CZ-OD1 3.26Å; R359-D362 IonicContact CZ-OD2 3.4Å; R359-D362 VanDerWaalsContact NE-CG 3.33Å; R359-D362 IonicContact NE-OD1 2.76Å; R359-D362 PolarHBondContact NE-OD1 2.93Å; R359-D362 IonicContact NE-OD2 3.26Å; R359-D362 PolarHBondContact NE-OD2 3.41Å; R359-D362 VanDerWaalsContact NE-OD2 3.16Å; R359-D362 IonicContact NH2-OD1 3.87Å; R359-D362 PolarHBondContact NH2-OD1 3.33Å; R359-D362 IonicContact NH2-OD2 2.73Å; R359-D362 PolarHBondContact O-N 3.35Å; R359-D362 VanDerWaalsContact O-N 3.14Å; D362-N366 PolarHBondContact O-N 2.94Å; D362-T370 PolarHBondContact O-OG1 2.78Å
363	L	97.6	Very high	97.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-46.8	173.7	171.7	69.5	0	0	0	111.7	F122 F123 L126 R359 Y360 E361 N366 P367 T370	F122-L363 HydrophobicContact CD1-CD2 4.1Å; F122-L363 HydrophobicContact CE1-CD2 3.84Å; F122-L363 HydrophobicContact CE1-CG 4.15Å; F123-L363 HydrophobicContact CB-CD2 4.5Å; F123-L363 HydrophobicContact CD2-CD2 3.6Å; F123-L363 HydrophobicContact CE2-CD2 4.35Å; L126-L363 HydrophobicContact CD1-CD1 3.99Å; R359-L363 PolarHBondContact O-N 3.37Å; R359-L363 VanDerWaalsContact O-N 3.08Å; Y360-L363 HydrophobicContact CD2-CD2 4.15Å; Y360-L363 HydrophobicContact CE2-CD2 4.43Å; Y360-L363 WeakPolarHBondContact O-CB 3.44Å; Y360-L363 PolarHBondContact O-N 2.9Å; E361-L363 VanDerWaalsContact C-N 3.33Å; E361-L363 PolarHBondContact O-N 3.29Å; L363-N366 CarbonylContact O-C 3.58Å; L363-P367 WeakPolarHBondContact O-CA 3.48Å; L363-P367 WeakPolarHBondContact O-CB 3.48Å; L363-P367 VanDerWaalsContact O-N 3.11Å; L363-T370 HydrophobicContact CB-CG2 3.9Å; L363-T370 HydrophobicContact CD1-CG2 3.76Å; L363-T370 HydrophobicContact CG-CG2 4.46Å
364	V	96.3	Very high	97.8	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-79.4	-27	-174.8	-60.6	0	0	0	0	112.7	Y360 E361 T394 A411 A415	Y360-V364 HydrophobicContact CD1-CG1 4.21Å; Y360-V364 HydrophobicContact CD2-CG1 4.23Å; Y360-V364 HydrophobicContact CE1-CG1 3.69Å; Y360-V364 HydrophobicContact CE2-CG1 3.69Å; Y360-V364 HydrophobicContact CG-CG1 4.47Å; Y360-V364 WeakPolarHBondContact O-CG1 3.26Å; Y360-V364 WeakPolarHBondContact O-CG2 3.46Å; Y360-V364 PolarHBondContact O-N 3.4Å; E361-V364 WeakPolarHBondContact O-CG2 3.28Å; E361-V364 PolarHBondContact O-N 2.92Å; V364-T394 HydrophobicContact CG1-CG2 4.31Å; V364-A411 HydrophobicContact CB-CB 3.69Å; V364-A411 HydrophobicContact CG1-CB 3.49Å; V364-A411 VanDerWaalsContact CG1-CB 3.49Å; V364-A415 HydrophobicContact CG2-CB 4.26Å
365	E	95.5	Very high	97.8	Very high	122 Å²	122	38.6 Å²	38.6	57%	0.57	19%	0.19	S	C	*	.	H	α-helix	trans	-75.7	-40.5	174.8	-169.2	177.2	-160.3	0	0	111.7	E361	E361-E365 VanDerWaalsContact O-CB 3.3Å; E361-E365 WeakPolarHBondContact O-CB 3.38Å; E361-E365 PolarHBondContact O-N 3.11Å
366	N	97.1	Very high	97.8	Very high	78 Å²	78	45.6 Å²	45.6	42%	0.417	22%	0.216	S	C	.	.	S	Bend	trans	-130.7	66.3	-177.4	-67.8	-86.4	0	0	0	111.8	D362 L363 V368 K369 T370	D362-N366 PolarHBondContact O-N 2.94Å; L363-N366 CarbonylContact O-C 3.58Å; N366-V368 PolarHBondContact O-N 3.18Å; N366-K369 HydrophobicContact CB-CB 4.18Å; N366-K369 PolarHBondContact O-N 3.4Å; N366-T370 WeakPolarHBondContact O-CB 3.38Å; N366-T370 PolarHBondContact O-N 2.94Å; N366-T370 PolarHBondContact O-OG1 3.43Å
367	P	97.3	Very high	97.8	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-45.9	-168.6	23	-35.4	0	0	0	114.2	L363 L371 A390 L391 T394	L363-P367 WeakPolarHBondContact O-CA 3.48Å; L363-P367 WeakPolarHBondContact O-CB 3.48Å; L363-P367 VanDerWaalsContact O-N 3.11Å; P367-L371 WeakPolarHBondContact O-CB 3.25Å; P367-L371 PolarHBondContact O-N 3.49Å; P367-A390 HydrophobicContact CB-CB 4.29Å; P367-L391 HydrophobicContact CG-CD2 3.59Å; P367-L391 HydrophobicContact CG-CG 4.23Å; P367-T394 HydrophobicContact CB-CG2 4.35Å
368	V	97.9	Very high	97.7	Very high	28 Å²	28	44.5 Å²	44.5	17%	0.17	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-44.7	-179.5	179.4	0	0	0	0	111.4	N366 T370 L371 R372 E387 L391	N366-V368 PolarHBondContact O-N 3.18Å; V368-T370 PolarHBondContact O-N 3Å; V368-L371 PolarHBondContact O-N 2.9Å; V368-R372 HydrophobicContact CG1-CG 4.43Å; V368-R372 WeakPolarHBondContact O-CB 3.39Å; V368-R372 WeakPolarHBondContact O-CG 3.4Å; V368-R372 PolarHBondContact O-N 3.49Å; V368-E387 HydrophobicContact CG1-CB 4.3Å; V368-E387 HydrophobicContact CG1-CG 4.03Å; V368-E387 HydrophobicContact CG2-CB 4.3Å; V368-L391 HydrophobicContact CG2-CD1 3.47Å; V368-L391 VanDerWaalsContact CG2-CD1 3.47Å; V368-L391 HydrophobicContact CG2-CD2 3.94Å; V368-L391 HydrophobicContact CG2-CG 3.5Å; V368-L391 VanDerWaalsContact CG2-CG 3.5Å
369	K	98	Very high	97.6	Very high	157 Å²	157	49.4 Å²	49.4	68%	0.683	23%	0.231	S	C	*	.	H	α-helix	trans	-61.3	-47.5	179.6	-176.9	-178.4	177.8	-178.7	0	110.9	N366 R372 S373	N366-K369 HydrophobicContact CB-CB 4.18Å; N366-K369 PolarHBondContact O-N 3.4Å; K369-R372 PolarHBondContact O-N 3.32Å; K369-S373 PolarHBondContact O-N 2.83Å; K369-S373 VanDerWaalsContact O-N 3.12Å
370	T	98.3	Very high	97.6	Very high	19 Å²	19	48.5 Å²	48.5	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-43.3	179.9	-59.5	0	0	0	0	111.3	V358 D362 L363 N366 V368 R372 S373 V374	V358-T370 HydrophobicContact CG1-CG2 3.77Å; D362-T370 PolarHBondContact O-OG1 2.78Å; L363-T370 HydrophobicContact CB-CG2 3.9Å; L363-T370 HydrophobicContact CD1-CG2 3.76Å; L363-T370 HydrophobicContact CG-CG2 4.46Å; N366-T370 WeakPolarHBondContact O-CB 3.38Å; N366-T370 PolarHBondContact O-N 2.94Å; N366-T370 PolarHBondContact O-OG1 3.43Å; V368-T370 PolarHBondContact O-N 3Å; T370-R372 PolarHBondContact O-N 3.35Å; T370-S373 PolarHBondContact O-N 3.35Å; T370-V374 HydrophobicContact CG2-CG2 4.39Å; T370-V374 WeakPolarHBondContact O-CB 3.43Å; T370-V374 WeakPolarHBondContact O-CG2 3.44Å; T370-V374 PolarHBondContact O-N 3.33Å
371	L	98.4	Very high	97.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.5	-51.5	174.2	173.9	69	0	0	0	111.6	L126 P367 V368 S373 V374 Y375 T382 I386 E387 A390	L126-L371 HydrophobicContact CB-CD1 4.11Å; L126-L371 HydrophobicContact CD1-CD1 4.21Å; L126-L371 HydrophobicContact CD2-CD1 4.33Å; L126-L371 HydrophobicContact CG-CD1 4.45Å; P367-L371 WeakPolarHBondContact O-CB 3.25Å; P367-L371 PolarHBondContact O-N 3.49Å; V368-L371 PolarHBondContact O-N 2.9Å; L371-S373 VanDerWaalsContact C-N 3.28Å; L371-S373 PolarHBondContact O-N 3.29Å; L371-V374 PolarHBondContact O-N 3.17Å; L371-Y375 HydrophobicContact CD1-CD1 3.54Å; L371-Y375 HydrophobicContact CD1-CE1 3.34Å; L371-Y375 HydrophobicContact CD1-CG 4.29Å; L371-Y375 HydrophobicContact CG-CD1 4.34Å; L371-Y375 HydrophobicContact CG-CE1 4.45Å; L371-Y375 WeakPolarHBondContact O-CB 3.45Å; L371-Y375 PolarHBondContact O-N 3.07Å; L371-T382 HydrophobicContact CD2-CG2 4.19Å; L371-T382 HydrophobicContact CG-CG2 3.99Å; L371-I386 HydrophobicContact CD1-CG2 4.25Å; L371-I386 HydrophobicContact CD2-CG2 3.81Å; L371-E387 HydrophobicContact CD2-CG 3.96Å; L371-A390 HydrophobicContact CD2-CB 4.03Å
372	R	98.4	Very high	97.2	Very high	122 Å²	122	54 Å²	54	46%	0.46	26%	0.264	S	S	.	.	H	α-helix	trans	-58.1	-40.3	178.3	-74.4	176.7	180	171.3	3.8	112.1	V368 K369 T370 R376 T382 E387	V368-R372 HydrophobicContact CG1-CG 4.43Å; V368-R372 WeakPolarHBondContact O-CB 3.39Å; V368-R372 WeakPolarHBondContact O-CG 3.4Å; V368-R372 PolarHBondContact O-N 3.49Å; K369-R372 PolarHBondContact O-N 3.32Å; T370-R372 PolarHBondContact O-N 3.35Å; R372-R376 VanDerWaalsContact O-CB 3.3Å; R372-R376 WeakPolarHBondContact O-CB 3.41Å; R372-R376 PolarHBondContact O-N 3.2Å; R372-T382 HydrophobicContact CG-CG2 4.13Å; R372-E387 IonicContact CZ-OE1 3.51Å; R372-E387 IonicContact CZ-OE2 3.45Å; R372-E387 IonicContact NE-OE1 3.26Å; R372-E387 PolarHBondContact NE-OE1 3.27Å; R372-E387 IonicContact NE-OE2 2.76Å; R372-E387 IonicContact NH2-OE1 3.16Å; R372-E387 PolarHBondContact NH2-OE1 2.97Å; R372-E387 IonicContact NH2-OE2 3.29Å; R372-E387 PolarHBondContact NH2-OE2 2.87Å
373	S	98.3	Very high	97.1	Very high	51 Å²	51	54.7 Å²	54.7	36%	0.357	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-44.6	176.7	-169.1	0	0	0	0	112.1	M356 K369 T370 L371 R376 F377	M356-S373 WeakPolarHBondContact CE-OG 3.42Å; K369-S373 PolarHBondContact O-N 2.83Å; K369-S373 VanDerWaalsContact O-N 3.12Å; T370-S373 PolarHBondContact O-N 3.35Å; L371-S373 VanDerWaalsContact C-N 3.28Å; L371-S373 PolarHBondContact O-N 3.29Å; S373-R376 PolarHBondContact O-N 3.33Å; S373-F377 PolarHBondContact O-N 2.83Å
374	V	98.6	Very high	97	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-45.8	178.7	165.6	0	0	0	0	111	F123 F127 I269 M356 V358 T370 L371 F377 A378	F123-V374 HydrophobicContact CE2-CG1 4.4Å; F123-V374 HydrophobicContact CE2-CG2 4.11Å; F123-V374 HydrophobicContact CZ-CG1 3.91Å; F123-V374 HydrophobicContact CZ-CG2 4.04Å; F127-V374 HydrophobicContact CE1-CG1 4.34Å; F127-V374 HydrophobicContact CE2-CG1 4.23Å; F127-V374 HydrophobicContact CZ-CG1 3.53Å; I269-V374 HydrophobicContact CD1-CG1 4.08Å; M356-V374 HydrophobicContact CE-CG2 4.07Å; M356-V374 HydrophobicContact SD-CG2 4.29Å; V358-V374 HydrophobicContact CG1-CG2 4.4Å; V358-V374 HydrophobicContact CG2-CG2 3.61Å; T370-V374 HydrophobicContact CG2-CG2 4.39Å; T370-V374 WeakPolarHBondContact O-CB 3.43Å; T370-V374 WeakPolarHBondContact O-CG2 3.44Å; T370-V374 PolarHBondContact O-N 3.33Å; L371-V374 PolarHBondContact O-N 3.17Å; V374-F377 PolarHBondContact O-N 3.4Å; V374-A378 VanDerWaalsContact O-CB 3.29Å; V374-A378 WeakPolarHBondContact O-CB 3.3Å; V374-A378 PolarHBondContact O-N 2.94Å
375	Y	98.4	Very high	97	Very high	1 Å²	1	65.4 Å²	65.4	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-64.5	-41.6	178.4	-92.3	42.3	0	0	0	111.9	L126 F127 N130 L371 F377 A378 N379 L380 T381 T382 I386	L126-Y375 PolarHBondContact O-OH 3.18Å; F127-Y375 HydrophobicContact CD1-CE1 4.4Å; F127-Y375 HydrophobicContact CE1-CE1 4.32Å; N130-Y375 WeakPolarHBondContact ND2-CE2 3.31Å; L371-Y375 HydrophobicContact CD1-CD1 3.54Å; L371-Y375 HydrophobicContact CD1-CE1 3.34Å; L371-Y375 HydrophobicContact CD1-CG 4.29Å; L371-Y375 HydrophobicContact CG-CD1 4.34Å; L371-Y375 HydrophobicContact CG-CE1 4.45Å; L371-Y375 WeakPolarHBondContact O-CB 3.45Å; L371-Y375 PolarHBondContact O-N 3.07Å; Y375-F377 PolarHBondContact O-N 3.12Å; Y375-A378 CarbonylContact O-C 3.14Å; Y375-A378 VanDerWaalsContact O-CA 3.32Å; Y375-A378 WeakPolarHBondContact O-CA 3.46Å; Y375-A378 WeakPolarHBondContact O-CB 3.4Å; Y375-A378 PolarHBondContact O-N 3.04Å; Y375-N379 PolarHBondContact O-N 3.39Å; Y375-L380 CarbonylContact C-O 3.52Å; Y375-L380 HydrophobicContact CD2-CB 3.66Å; Y375-L380 HydrophobicContact CE2-CB 4.19Å; Y375-L380 HydrophobicContact CG-CB 3.97Å; Y375-L380 PolarHBondContact O-N 3.27Å; Y375-T381 WeakPolarHBondContact CD2-O 3.35Å; Y375-T382 HydrophobicContact CD2-CG2 3.37Å; Y375-T382 HydrophobicContact CE2-CG2 4.03Å; Y375-T382 HydrophobicContact CG-CG2 3.71Å; Y375-I386 HydrophobicContact CE2-CD1 4.17Å; Y375-I386 HydrophobicContact CE2-CG2 4.34Å
376	R	98.2	Very high	97.1	Very high	181 Å²	181	59.6 Å²	59.6	68%	0.683	29%	0.293	S	S	*	.	H	α-helix	trans	-60.1	-45.8	174.3	-170.6	-172.1	-49.8	156	6.2	112.2	R372 S373 A378 N379	R372-R376 VanDerWaalsContact O-CB 3.3Å; R372-R376 WeakPolarHBondContact O-CB 3.41Å; R372-R376 PolarHBondContact O-N 3.2Å; S373-R376 PolarHBondContact O-N 3.33Å; R376-A378 PolarHBondContact O-N 3.43Å; R376-N379 PolarHBondContact O-N 3.44Å
377	F	98.1	Very high	97.1	Very high	40 Å²	40	57 Å²	57	18%	0.175	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-36.9	174.1	175.5	-100	0	0	0	111.6	K267 I269 M356 S373 V374 Y375 N379	K267-F377 HydrophobicContact CB-CE1 3.91Å; K267-F377 HydrophobicContact CB-CZ 4.02Å; K267-F377 HydrophobicContact CD-CE1 4.21Å; K267-F377 HydrophobicContact CD-CZ 4.21Å; K267-F377 HydrophobicContact CG-CZ 4.34Å; K267-F377 PolarHBondContact NZ-O 2.62Å; I269-F377 HydrophobicContact CD1-CD1 4.1Å; I269-F377 HydrophobicContact CD1-CE1 4.41Å; I269-F377 HydrophobicContact CG1-CD1 3.75Å; I269-F377 HydrophobicContact CG1-CE1 3.65Å; M356-F377 HydrophobicContact CB-CD1 3.84Å; M356-F377 HydrophobicContact CB-CD2 3.96Å; M356-F377 HydrophobicContact CB-CE1 3.79Å; M356-F377 HydrophobicContact CB-CE2 3.91Å; M356-F377 HydrophobicContact CB-CG 3.92Å; M356-F377 HydrophobicContact CB-CZ 3.82Å; M356-F377 HydrophobicContact CG-CG 4.46Å; M356-F377 HydrophobicContact SD-CB 3.69Å; M356-F377 HydrophobicContact SD-CD1 4.12Å; M356-F377 HydrophobicContact SD-CG 3.85Å; S373-F377 PolarHBondContact O-N 2.83Å; V374-F377 PolarHBondContact O-N 3.4Å; Y375-F377 PolarHBondContact O-N 3.12Å; F377-N379 VanDerWaalsContact C-N 3.29Å; F377-N379 PolarHBondContact O-N 2.91Å
378	A	97.3	Very high	97.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	7.6	174.3	0	0	0	0	0	114.5	Q108 I110 F127 V374 Y375 R376 L380	Q108-A378 VanDerWaalsContact CD-O 3.31Å; Q108-A378 VanDerWaalsContact NE2-CA 3.31Å; Q108-A378 PolarHBondContact NE2-O 2.95Å; Q108-A378 PolarHBondContact OE1-O 3.06Å; I110-A378 HydrophobicContact CD1-CB 3.38Å; F127-A378 HydrophobicContact CE1-CB 4.32Å; V374-A378 VanDerWaalsContact O-CB 3.29Å; V374-A378 WeakPolarHBondContact O-CB 3.3Å; V374-A378 PolarHBondContact O-N 2.94Å; Y375-A378 CarbonylContact O-C 3.14Å; Y375-A378 VanDerWaalsContact O-CA 3.32Å; Y375-A378 WeakPolarHBondContact O-CA 3.46Å; Y375-A378 WeakPolarHBondContact O-CB 3.4Å; Y375-A378 PolarHBondContact O-N 3.04Å; R376-A378 PolarHBondContact O-N 3.43Å; A378-L380 HydrophobicContact CB-CD1 4.06Å; A378-L380 HydrophobicContact CB-CG 4.1Å; A378-L380 PolarHBondContact O-N 3.23Å
379	N	96.7	Very high	97.1	Very high	109 Å²	109	57.7 Å²	57.7	58%	0.583	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	33.5	-173.9	-51.7	-32.6	0	0	0	114	Q108 K267 Y375 R376 F377	Q108-N379 VanDerWaalsContact OE1-CB 3.27Å; Q108-N379 PolarHBondContact OE1-ND2 3.45Å; K267-N379 PolarHBondContact NZ-ND2 3.1Å; K267-N379 VanDerWaalsContact NZ-ND2 3.13Å; Y375-N379 PolarHBondContact O-N 3.39Å; R376-N379 PolarHBondContact O-N 3.44Å; F377-N379 VanDerWaalsContact C-N 3.29Å; F377-N379 PolarHBondContact O-N 2.91Å
380	L	96.6	Very high	97	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.068	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-104	149.9	174.6	-65.8	174.1	0	0	0	109.3	F127 V133 T241 Y375 A378	F127-L380 HydrophobicContact CD1-CD1 4.01Å; F127-L380 HydrophobicContact CE1-CD1 4.06Å; V133-L380 HydrophobicContact CG2-CD1 3.68Å; V133-L380 HydrophobicContact CG2-CD2 4Å; T241-L380 HydrophobicContact CG2-CD2 4.25Å; Y375-L380 CarbonylContact C-O 3.52Å; Y375-L380 HydrophobicContact CD2-CB 3.66Å; Y375-L380 HydrophobicContact CE2-CB 4.19Å; Y375-L380 HydrophobicContact CG-CB 3.97Å; Y375-L380 PolarHBondContact O-N 3.27Å; A378-L380 HydrophobicContact CB-CD1 4.06Å; A378-L380 HydrophobicContact CB-CG 4.1Å; A378-L380 PolarHBondContact O-N 3.23Å
381	T	94.3	Very high	96.9	Very high	103 Å²	103	52.8 Å²	52.8	63%	0.632	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-93.7	135	172.5	50.6	0	0	0	0	110.5	Y375	Y375-T381 WeakPolarHBondContact CD2-O 3.35Å
382	T	93.1	Very high	96.8	Very high	41 Å²	41	57.8 Å²	57.8	25%	0.252	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-81.5	152.6	167.8	57.2	0	0	0	0	109.6	L371 R372 Y375 E387	L371-T382 HydrophobicContact CD2-CG2 4.19Å; L371-T382 HydrophobicContact CG-CG2 3.99Å; R372-T382 HydrophobicContact CG-CG2 4.13Å; Y375-T382 HydrophobicContact CD2-CG2 3.37Å; Y375-T382 HydrophobicContact CE2-CG2 4.03Å; Y375-T382 HydrophobicContact CG-CG2 3.71Å; T382-E387 WeakPolarHBondContact CB-OE1 3.46Å; T382-E387 PolarHBondContact OG1-OE1 3.3Å
383	N	94	Very high	96.6	Very high	68 Å²	68	52.8 Å²	52.8	36%	0.364	27%	0.272	S	S	.	.			trans	-125.9	170.6	166.3	67.2	23.9	0	0	0	109.1	D385 I386 E387	N383-D385 PolarHBondContact O-N 3.09Å; N383-D385 PolarHBondContact OD1-N 3.3Å; N383-I386 PolarHBondContact O-N 3.44Å; N383-I386 VanDerWaalsContact OD1-CG1 3.29Å; N383-I386 WeakPolarHBondContact OD1-CG1 3.44Å; N383-I386 PolarHBondContact OD1-N 3.05Å; N383-E387 WeakPolarHBondContact O-CG 3.38Å; N383-E387 PolarHBondContact O-N 3.25Å; N383-E387 VanDerWaalsContact O-N 3.14Å
384	H	96.8	Very high	96.4	Very high	139 Å²	139	50.6 Å²	50.6	64%	0.644	26%	0.256	S	S	*	.	H	α-helix	trans	-57.8	-37.5	-178.3	179.8	-89.2	0	0	0	112.7	E387 S388	H384-E387 PolarHBondContact O-N 2.69Å; H384-S388 PolarHBondContact CE1-OG 2.99Å; H384-S388 PolarHBondContact ND1-OG 3.48Å; H384-S388 VanDerWaalsContact O-CB 3.29Å; H384-S388 WeakPolarHBondContact O-CB 3.38Å; H384-S388 PolarHBondContact O-N 3.38Å; H384-S388 PolarHBondContact O-OG 2.94Å
385	D	96.9	Very high	96.1	Very high	92 Å²	92	54.8 Å²	54.8	49%	0.492	29%	0.285	S	S	.	.	H	α-helix	trans	-69.7	-41.3	-176.2	-62.3	-24.9	0	0	0	112.4	V213 N383 S388 F389	V213-D385 HydrophobicContact CB-CB 3.97Å; V213-D385 HydrophobicContact CG2-CB 3.74Å; N383-D385 PolarHBondContact O-N 3.09Å; N383-D385 PolarHBondContact OD1-N 3.3Å; D385-S388 PolarHBondContact O-N 3.2Å; D385-F389 VanDerWaalsContact O-CB 3.24Å; D385-F389 WeakPolarHBondContact O-CB 3.23Å; D385-F389 PolarHBondContact O-N 3.47Å
386	I	96.4	Very high	95.6	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-68.6	-38.8	176	-62	171.5	0	0	0	110.4	N130 V213 L371 Y375 N383 F389 A390	N130-I386 HydrophobicContact CB-CD1 4.26Å; V213-I386 HydrophobicContact CG2-CG1 3.67Å; L371-I386 HydrophobicContact CD1-CG2 4.25Å; L371-I386 HydrophobicContact CD2-CG2 3.81Å; Y375-I386 HydrophobicContact CE2-CD1 4.17Å; Y375-I386 HydrophobicContact CE2-CG2 4.34Å; N383-I386 PolarHBondContact O-N 3.44Å; N383-I386 VanDerWaalsContact OD1-CG1 3.29Å; N383-I386 WeakPolarHBondContact OD1-CG1 3.44Å; N383-I386 PolarHBondContact OD1-N 3.05Å; I386-F389 WeakPolarHBondContact O-CB 3.35Å; I386-F389 PolarHBondContact O-N 2.97Å; I386-A390 PolarHBondContact O-N 2.97Å
387	E	97.6	Very high	94.8	Very high	24 Å²	24	52.6 Å²	52.6	11%	0.112	30%	0.3	C	S	.	.	H	α-helix	trans	-64.7	-44	176	-69.8	-178.4	-179.4	0	0	111.6	V368 L371 R372 T382 N383 H384 F389 A390 L391	V368-E387 HydrophobicContact CG1-CB 4.3Å; V368-E387 HydrophobicContact CG1-CG 4.03Å; V368-E387 HydrophobicContact CG2-CB 4.3Å; L371-E387 HydrophobicContact CD2-CG 3.96Å; R372-E387 IonicContact CZ-OE1 3.51Å; R372-E387 IonicContact CZ-OE2 3.45Å; R372-E387 IonicContact NE-OE1 3.26Å; R372-E387 PolarHBondContact NE-OE1 3.27Å; R372-E387 IonicContact NE-OE2 2.76Å; R372-E387 IonicContact NH2-OE1 3.16Å; R372-E387 PolarHBondContact NH2-OE1 2.97Å; R372-E387 IonicContact NH2-OE2 3.29Å; R372-E387 PolarHBondContact NH2-OE2 2.87Å; T382-E387 WeakPolarHBondContact CB-OE1 3.46Å; T382-E387 PolarHBondContact OG1-OE1 3.3Å; N383-E387 WeakPolarHBondContact O-CG 3.38Å; N383-E387 PolarHBondContact O-N 3.25Å; N383-E387 VanDerWaalsContact O-N 3.14Å; H384-E387 PolarHBondContact O-N 2.69Å; E387-F389 VanDerWaalsContact C-N 3.34Å; E387-A390 PolarHBondContact O-N 3.11Å; E387-L391 PolarHBondContact O-N 2.63Å; E387-L391 VanDerWaalsContact O-N 3.08Å
388	S	97.4	Very high	94	Very high	31 Å²	31	53.7 Å²	53.7	22%	0.217	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-41.9	174.4	-62	0	0	0	0	111.4	H384 D385 A390 L391 N392	H384-S388 PolarHBondContact CE1-OG 2.99Å; H384-S388 PolarHBondContact ND1-OG 3.48Å; H384-S388 VanDerWaalsContact O-CB 3.29Å; H384-S388 WeakPolarHBondContact O-CB 3.38Å; H384-S388 PolarHBondContact O-N 3.38Å; H384-S388 PolarHBondContact O-OG 2.94Å; D385-S388 PolarHBondContact O-N 3.2Å; S388-A390 PolarHBondContact O-N 3.49Å; S388-L391 PolarHBondContact O-N 2.78Å; S388-N392 VanDerWaalsContact O-CB 3.27Å; S388-N392 WeakPolarHBondContact O-CB 3.37Å; S388-N392 PolarHBondContact O-N 3.49Å; S388-N392 PolarHBondContact O-ND2 3.27Å
389	F	96.8	Very high	92.5	Very high	19 Å²	19	59.4 Å²	59.4	8%	0.083	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-46.3	175	174.4	-95	0	0	0	112	E125 L126 Q129 V213 M215 D385 I386 E387 L391 N392 M393	E125-F389 HydrophobicContact CB-CE1 4.03Å; E125-F389 HydrophobicContact CB-CZ 4.04Å; L126-F389 HydrophobicContact CD2-CD1 4.42Å; L126-F389 HydrophobicContact CD2-CE1 4.46Å; Q129-F389 HydrophobicContact CG-CD1 4.01Å; Q129-F389 HydrophobicContact CG-CD2 4.42Å; Q129-F389 HydrophobicContact CG-CE1 3.64Å; Q129-F389 HydrophobicContact CG-CE2 4.09Å; Q129-F389 HydrophobicContact CG-CG 4.38Å; Q129-F389 HydrophobicContact CG-CZ 3.68Å; V213-F389 HydrophobicContact CG1-CB 3.6Å; V213-F389 HydrophobicContact CG1-CD2 4.06Å; V213-F389 HydrophobicContact CG1-CG 3.89Å; M215-F389 HydrophobicContact CG-CE2 3.99Å; M215-F389 HydrophobicContact CG-CZ 4.32Å; M215-F389 HydrophobicContact SD-CE2 4.03Å; M215-F389 HydrophobicContact SD-CZ 3.74Å; D385-F389 VanDerWaalsContact O-CB 3.24Å; D385-F389 WeakPolarHBondContact O-CB 3.23Å; D385-F389 PolarHBondContact O-N 3.47Å; I386-F389 WeakPolarHBondContact O-CB 3.35Å; I386-F389 PolarHBondContact O-N 2.97Å; E387-F389 VanDerWaalsContact C-N 3.34Å; F389-L391 PolarHBondContact O-N 3.35Å; F389-N392 PolarHBondContact O-N 3.41Å; F389-M393 HydrophobicContact CD1-CG 4.31Å; F389-M393 HydrophobicContact CD2-CG 4.08Å; F389-M393 HydrophobicContact CE1-CG 3.99Å; F389-M393 HydrophobicContact CE2-CG 3.73Å; F389-M393 HydrophobicContact CE2-SD 4.14Å; F389-M393 HydrophobicContact CG-CG 4.36Å; F389-M393 HydrophobicContact CZ-CG 3.69Å; F389-M393 HydrophobicContact CZ-SD 4.34Å; F389-M393 WeakPolarHBondContact O-CB 3.3Å; F389-M393 WeakPolarHBondContact O-CG 3.38Å; F389-M393 PolarHBondContact O-N 3.45Å
390	A	96.9	Very high	91.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.5	-42.4	177.7	0	0	0	0	0	112.5	L126 P367 L371 I386 E387 S388 T394	L126-A390 HydrophobicContact CD2-CB 3.82Å; P367-A390 HydrophobicContact CB-CB 4.29Å; L371-A390 HydrophobicContact CD2-CB 4.03Å; I386-A390 PolarHBondContact O-N 2.97Å; E387-A390 PolarHBondContact O-N 3.11Å; S388-A390 PolarHBondContact O-N 3.49Å; A390-T394 WeakPolarHBondContact O-CG2 3.19Å; A390-T394 PolarHBondContact O-N 3.45Å; A390-T394 PolarHBondContact O-OG1 3.31Å
391	L	96.3	Very high	89.7	Confident	72 Å²	72	61.8 Å²	61.8	38%	0.377	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-50.2	174.8	-78.1	165.1	0	0	0	112	P367 V368 E387 S388 F389 M393 T394 S395	P367-L391 HydrophobicContact CG-CD2 3.59Å; P367-L391 HydrophobicContact CG-CG 4.23Å; V368-L391 HydrophobicContact CG2-CD1 3.47Å; V368-L391 VanDerWaalsContact CG2-CD1 3.47Å; V368-L391 HydrophobicContact CG2-CD2 3.94Å; V368-L391 HydrophobicContact CG2-CG 3.5Å; V368-L391 VanDerWaalsContact CG2-CG 3.5Å; E387-L391 PolarHBondContact O-N 2.63Å; E387-L391 VanDerWaalsContact O-N 3.08Å; S388-L391 PolarHBondContact O-N 2.78Å; F389-L391 PolarHBondContact O-N 3.35Å; L391-M393 VanDerWaalsContact C-N 3.31Å; L391-M393 PolarHBondContact O-N 2.89Å; L391-T394 PolarHBondContact O-N 2.83Å; L391-T394 VanDerWaalsContact O-N 3.16Å; L391-T394 PolarHBondContact O-OG1 3.46Å; L391-S395 WeakPolarHBondContact O-CB 3.23Å; L391-S395 PolarHBondContact O-N 3.27Å; L391-S395 PolarHBondContact O-OG 3.48Å; L391-S395 VanDerWaalsContact O-OG 3.06Å
392	N	95.5	Very high	88.8	Confident	105 Å²	105	63.2 Å²	63.2	56%	0.561	38%	0.377	S	S	*	.	H	α-helix	trans	-63.9	-37.5	-176.9	-71.4	-16.9	0	0	0	111.5	S388 F389 T394 G396 S408	S388-N392 VanDerWaalsContact O-CB 3.27Å; S388-N392 WeakPolarHBondContact O-CB 3.37Å; S388-N392 PolarHBondContact O-N 3.49Å; S388-N392 PolarHBondContact O-ND2 3.27Å; F389-N392 PolarHBondContact O-N 3.41Å; N392-T394 VanDerWaalsContact C-N 3.29Å; N392-T394 PolarHBondContact O-N 3.12Å; N392-G396 PolarHBondContact O-N 2.9Å; N392-S408 PolarHBondContact O-OG 2.83Å
393	M	94.8	Very high	87.9	Confident	18 Å²	18	63.6 Å²	63.6	9%	0.089	38%	0.38	C	S	.	.	H	α-helix	trans	-70.3	-24	178.8	-72	-59.2	-67.5	0	0	113.6	F122 M215 F389 L391 V406 S408 R409	F122-M393 HydrophobicContact CD2-CB 3.88Å; F122-M393 HydrophobicContact CE2-CB 3.39Å; F122-M393 HydrophobicContact CE2-CG 4.16Å; F122-M393 HydrophobicContact CZ-CB 4.2Å; M215-M393 HydrophobicContact CG-CE 4.43Å; M215-M393 HydrophobicContact CG-SD 4.37Å; M215-M393 HydrophobicContact SD-CE 4.14Å; F389-M393 HydrophobicContact CD1-CG 4.31Å; F389-M393 HydrophobicContact CD2-CG 4.08Å; F389-M393 HydrophobicContact CE1-CG 3.99Å; F389-M393 HydrophobicContact CE2-CG 3.73Å; F389-M393 HydrophobicContact CE2-SD 4.14Å; F389-M393 HydrophobicContact CG-CG 4.36Å; F389-M393 HydrophobicContact CZ-CG 3.69Å; F389-M393 HydrophobicContact CZ-SD 4.34Å; F389-M393 WeakPolarHBondContact O-CB 3.3Å; F389-M393 WeakPolarHBondContact O-CG 3.38Å; F389-M393 PolarHBondContact O-N 3.45Å; L391-M393 VanDerWaalsContact C-N 3.31Å; L391-M393 PolarHBondContact O-N 2.89Å; M393-V406 HydrophobicContact CE-CG1 3.62Å; M393-S408 WeakPolarHBondContact O-CA 3.21Å; M393-R409 PolarHBondContact O-N 2.95Å
394	T	94.1	Very high	87.3	Confident	4 Å²	4	65.1 Å²	65.1	3%	0.025	38%	0.383	C	S	.	.	H	α-helix	trans	-98.8	-16.8	-178.8	50.5	0	0	0	0	114.4	F122 V364 P367 A390 L391 N392 R409 A411	F122-T394 HydrophobicContact CD1-CG2 4.42Å; F122-T394 HydrophobicContact CE1-CG2 3.48Å; F122-T394 VanDerWaalsContact CE1-CG2 3.48Å; F122-T394 HydrophobicContact CE2-CG2 4.43Å; F122-T394 HydrophobicContact CZ-CG2 3.5Å; F122-T394 VanDerWaalsContact CZ-CG2 3.5Å; V364-T394 HydrophobicContact CG1-CG2 4.31Å; P367-T394 HydrophobicContact CB-CG2 4.35Å; A390-T394 WeakPolarHBondContact O-CG2 3.19Å; A390-T394 PolarHBondContact O-N 3.45Å; A390-T394 PolarHBondContact O-OG1 3.31Å; L391-T394 PolarHBondContact O-N 2.83Å; L391-T394 VanDerWaalsContact O-N 3.16Å; L391-T394 PolarHBondContact O-OG1 3.46Å; N392-T394 VanDerWaalsContact C-N 3.29Å; N392-T394 PolarHBondContact O-N 3.12Å; T394-R409 CarbonylContact C-O 3.56Å; T394-A411 HydrophobicContact CG2-CB 4.05Å; T394-A411 PolarHBondContact O-N 3.32Å
395	S	91.9	Very high	86.6	Confident	90 Å²	90	62.2 Å²	62.2	63%	0.629	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	13	-176.2	-51.2	0	0	0	0	113.6	L391	L391-S395 WeakPolarHBondContact O-CB 3.23Å; L391-S395 PolarHBondContact O-N 3.27Å; L391-S395 PolarHBondContact O-OG 3.48Å; L391-S395 VanDerWaalsContact O-OG 3.06Å
396	G	87.9	Confident	86.1	Confident	15 Å²	15	59.4 Å²	59.4	16%	0.155	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	169.8	-176	0	0	0	0	0	115.8	N392 S408 R409 N410	N392-G396 PolarHBondContact O-N 2.9Å; G396-S408 WeakPolarHBondContact CA-OG 3.15Å; G396-R409 CarbonylContact O-C 3.56Å; G396-R409 VanDerWaalsContact O-CA 3.31Å; G396-R409 WeakPolarHBondContact O-CA 3.36Å; G396-N410 PolarHBondContact O-N 3.18Å
397	S	82.1	Confident	85.7	Confident	121 Å²	121	60.4 Å²	60.4	85%	0.846	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	-0.6	175.3	58.1	0	0	0	0	113.9	S399	S397-S399 PolarHBondContact O-N 3.4Å
398	S	80.3	Confident	85.3	Confident	63 Å²	63	60.8 Å²	60.8	44%	0.441	37%	0.37	S	S	.	.			trans	-70.1	131.7	-175	-52.3	0	0	0	0	111.1	S408 R409	S398-S408 WeakPolarHBondContact CA-O 3.25Å; S398-S408 WeakPolarHBondContact CB-O 3.09Å; S398-S408 PolarHBondContact N-O 3.27Å; S398-S408 PolarHBondContact OG-O 3.48Å; S398-R409 VanDerWaalsContact O-CB 3.31Å; S398-R409 WeakPolarHBondContact O-CB 3.32Å
399	S	66.9	Low	84.8	Confident	119 Å²	119	62.9 Å²	62.9	83%	0.832	37%	0.373	S	S	*	.			trans	-110	133.5	167	67.7	0	0	0	0	109.3	S397	S397-S399 PolarHBondContact O-N 3.4Å
400	S	68.7	Low	84.5	Confident	49 Å²	49	65.8 Å²	65.8	34%	0.343	39%	0.39	S	S	.	.			trans	-123.7	128.6	171.9	-172	0	0	0	0	109	K402	S400-K402 PolarHBondContact O-N 3.23Å; S400-K402 PolarHBondContact OG-N 3.27Å
401	S	64.7	Low	84.2	Confident	123 Å²	123	65.9 Å²	65.9	86%	0.86	39%	0.391	S	S	*	.	S	Bend	trans	-72.1	-15.7	171.3	58.7	0	0	0	0	112.2	P403	S401-P403 WeakPolarHBondContact O-CD 3.44Å
402	K	76.9	Confident	84	Confident	134 Å²	134	65.8 Å²	65.8	58%	0.583	39%	0.393	S	S	*	.	S	Bend	trans	-84.7	117.4	-179.6	-68.8	-178.6	177.5	-179.1	0	110.4	S400 F404 I405	S400-K402 PolarHBondContact O-N 3.23Å; S400-K402 PolarHBondContact OG-N 3.27Å; K402-F404 VanDerWaalsContact C-N 3.31Å; K402-F404 PolarHBondContact O-N 3.04Å; K402-F404 VanDerWaalsContact O-N 3.16Å; K402-I405 HydrophobicContact CB-CD1 3.68Å; K402-I405 HydrophobicContact CB-CG1 3.84Å; K402-I405 HydrophobicContact CD-CD1 3.53Å; K402-I405 HydrophobicContact CD-CG1 4.43Å; K402-I405 HydrophobicContact CG-CD1 4.2Å; K402-I405 PolarHBondContact O-N 2.75Å
403	P	72.4	Confident	83.8	Confident	49 Å²	49	67.2 Å²	67.2	32%	0.318	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.1	-166.9	13.7	-24.7	0	0	0	115.6	R117 S285 S401	R117-P403 PolarHBondContact NH1-O 3.46Å; R117-P403 PolarHBondContact NH2-O 3.45Å; S285-P403 WeakPolarHBondContact OG-CB 3.42Å; S401-P403 WeakPolarHBondContact O-CD 3.44Å
404	F	82.4	Confident	83.6	Confident	99 Å²	99	68 Å²	68	43%	0.434	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-1	-172.2	-60.6	-80.9	0	0	0	114.5	L289 K402	L289-F404 HydrophobicContact CD2-CE1 3.99Å; L289-F404 HydrophobicContact CD2-CZ 4.07Å; L289-F404 HydrophobicContact CG-CE1 4.26Å; L289-F404 HydrophobicContact CG-CZ 3.97Å; K402-F404 VanDerWaalsContact C-N 3.31Å; K402-F404 PolarHBondContact O-N 3.04Å; K402-F404 VanDerWaalsContact O-N 3.16Å
405	I	82.3	Confident	83.5	Confident	78 Å²	78	68.1 Å²	68.1	40%	0.4	41%	0.407	S	S	.	.			trans	-77.7	130.7	178.3	-64.5	-171.4	0	0	0	109.4	K402 R409	K402-I405 HydrophobicContact CB-CD1 3.68Å; K402-I405 HydrophobicContact CB-CG1 3.84Å; K402-I405 HydrophobicContact CD-CD1 3.53Å; K402-I405 HydrophobicContact CD-CG1 4.43Å; K402-I405 HydrophobicContact CG-CD1 4.2Å; K402-I405 PolarHBondContact O-N 2.75Å; I405-R409 PolarHBondContact O-NH2 3.38Å
406	V	86.1	Confident	83.7	Confident	34 Å²	34	65.7 Å²	65.7	21%	0.206	39%	0.39	C	S	.	.			trans	-81.5	127.2	166.9	-177.2	0	0	0	0	107.7	F122 E125 M215 M393	F122-V406 HydrophobicContact CB-CG1 4.43Å; E125-V406 HydrophobicContact CG-CG1 4.39Å; M215-V406 HydrophobicContact CE-CB 4.01Å; M215-V406 HydrophobicContact CE-CG1 4.04Å; M393-V406 HydrophobicContact CE-CG1 3.62Å
407	S	87.3	Confident	84	Confident	21 Å²	21	66.3 Å²	66.3	15%	0.147	39%	0.394	C	S	.	.			trans	-150.8	147.8	-178.8	66.1	0	0	0	0	109.8	R409	S407-R409 PolarHBondContact O-N 3.17Å; S407-R409 VanDerWaalsContact O-N 3.15Å; S407-R409 PolarHBondContact O-NE 3.09Å; S407-R409 PolarHBondContact OG-NE 2.9Å; S407-R409 PolarHBondContact OG-NH2 2.82Å
408	S	88.9	Confident	84.7	Confident	33 Å²	33	60.9 Å²	60.9	23%	0.231	36%	0.355	C	S	.	.			trans	-61.3	108.9	173.1	169	0	0	0	0	109.7	N392 M393 G396 S398	N392-S408 PolarHBondContact O-OG 2.83Å; M393-S408 WeakPolarHBondContact O-CA 3.21Å; G396-S408 WeakPolarHBondContact CA-OG 3.15Å; S398-S408 WeakPolarHBondContact CA-O 3.25Å; S398-S408 WeakPolarHBondContact CB-O 3.09Å; S398-S408 PolarHBondContact N-O 3.27Å; S398-S408 PolarHBondContact OG-O 3.48Å
409	R	88.1	Confident	85.5	Confident	74 Å²	74	58.7 Å²	58.7	28%	0.279	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.9	-174.4	73.8	-171.8	76.9	-177.7	1.3	109.8	M393 T394 G396 S398 I405 S407 A411	M393-R409 PolarHBondContact O-N 2.95Å; T394-R409 CarbonylContact C-O 3.56Å; G396-R409 CarbonylContact O-C 3.56Å; G396-R409 VanDerWaalsContact O-CA 3.31Å; G396-R409 WeakPolarHBondContact O-CA 3.36Å; S398-R409 VanDerWaalsContact O-CB 3.31Å; S398-R409 WeakPolarHBondContact O-CB 3.32Å; I405-R409 PolarHBondContact O-NH2 3.38Å; S407-R409 PolarHBondContact O-N 3.17Å; S407-R409 VanDerWaalsContact O-N 3.15Å; S407-R409 PolarHBondContact O-NE 3.09Å; S407-R409 PolarHBondContact OG-NE 2.9Å; S407-R409 PolarHBondContact OG-NH2 2.82Å; R409-A411 VanDerWaalsContact C-N 3.34Å; R409-A411 PolarHBondContact O-N 3.2Å
410	N	90.8	Very high	86.8	Confident	80 Å²	80	58.3 Å²	58.3	43%	0.428	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	96.3	170.5	-172.2	-40.1	0	0	0	109.4	G396 T412 Q413 A414	G396-N410 PolarHBondContact O-N 3.18Å; N410-T412 PolarHBondContact OD1-N 2.77Å; N410-Q413 HydrophobicContact CB-CB 4.21Å; N410-Q413 WeakPolarHBondContact OD1-CB 3.28Å; N410-Q413 PolarHBondContact OD1-N 3.45Å; N410-A414 PolarHBondContact O-N 2.85Å; N410-A414 VanDerWaalsContact O-N 3.12Å
411	A	89.9	Confident	88	Confident	3 Å²	3	59.8 Å²	59.8	3%	0.025	33%	0.33	C	S	.	.	H	α-helix	trans	-76.6	-28.1	-169.3	0	0	0	0	0	111.8	V364 T394 R409 A414 A415	V364-A411 HydrophobicContact CB-CB 3.69Å; V364-A411 HydrophobicContact CG1-CB 3.49Å; V364-A411 VanDerWaalsContact CG1-CB 3.49Å; T394-A411 HydrophobicContact CG2-CB 4.05Å; T394-A411 PolarHBondContact O-N 3.32Å; R409-A411 VanDerWaalsContact C-N 3.34Å; R409-A411 PolarHBondContact O-N 3.2Å; A411-A414 CarbonylContact O-C 3.54Å; A411-A414 PolarHBondContact O-N 3.2Å; A411-A415 WeakPolarHBondContact O-CB 3.2Å; A411-A415 PolarHBondContact O-N 3.43Å
412	T	91.4	Very high	89.4	Confident	69 Å²	69	54.5 Å²	54.5	42%	0.423	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-45.7	173	-50.7	0	0	0	0	111.5	N410 A414 A415 S416	N410-T412 PolarHBondContact OD1-N 2.77Å; T412-A414 VanDerWaalsContact C-N 3.32Å; T412-A414 PolarHBondContact O-N 3.02Å; T412-A415 WeakPolarHBondContact O-CB 3.4Å; T412-A415 PolarHBondContact O-N 3.12Å; T412-S416 PolarHBondContact O-N 2.78Å; T412-S416 VanDerWaalsContact O-N 3.16Å; T412-S416 PolarHBondContact O-OG 3.25Å
413	Q	91.6	Very high	90.1	Very high	135 Å²	135	50.5 Å²	50.5	63%	0.631	28%	0.281	S	S	*	.	H	α-helix	trans	-62.3	-41.5	173.1	-173.6	-173.3	56.3	0	0	111.2	N410 A415 S416 A417	N410-Q413 HydrophobicContact CB-CB 4.21Å; N410-Q413 WeakPolarHBondContact OD1-CB 3.28Å; N410-Q413 PolarHBondContact OD1-N 3.45Å; Q413-A415 VanDerWaalsContact C-N 3.28Å; Q413-A415 PolarHBondContact O-N 3.07Å; Q413-S416 PolarHBondContact O-N 2.94Å; Q413-S416 PolarHBondContact O-OG 3.37Å; Q413-A417 WeakPolarHBondContact O-CB 3.35Å; Q413-A417 PolarHBondContact O-N 3.44Å
414	A	90.2	Very high	91.1	Very high	34 Å²	34	50.4 Å²	50.4	28%	0.281	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-30	176.7	0	0	0	0	0	112.9	R273 N410 A411 T412	R273-A414 PolarHBondContact NH2-O 3.4Å; R273-A414 VanDerWaalsContact NH2-O 3.09Å; N410-A414 PolarHBondContact O-N 2.85Å; N410-A414 VanDerWaalsContact O-N 3.12Å; A411-A414 CarbonylContact O-C 3.54Å; A411-A414 PolarHBondContact O-N 3.2Å; T412-A414 VanDerWaalsContact C-N 3.32Å; T412-A414 PolarHBondContact O-N 3.02Å
415	A	93.5	Very high	91.5	Very high	8 Å²	8	51.7 Å²	51.7	7%	0.066	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-43.4	175.1	0	0	0	0	0	111.7	Y360 E361 V364 A411 T412 Q413 W418	Y360-A415 HydrophobicContact CD1-CB 4.49Å; Y360-A415 HydrophobicContact CE1-CB 4.29Å; E361-A415 HydrophobicContact CG-CB 4.41Å; V364-A415 HydrophobicContact CG2-CB 4.26Å; A411-A415 WeakPolarHBondContact O-CB 3.2Å; A411-A415 PolarHBondContact O-N 3.43Å; T412-A415 WeakPolarHBondContact O-CB 3.4Å; T412-A415 PolarHBondContact O-N 3.12Å; Q413-A415 VanDerWaalsContact C-N 3.28Å; Q413-A415 PolarHBondContact O-N 3.07Å; A415-W418 VanDerWaalsContact O-CD1 3.29Å
416	S	95	Very high	92	Very high	38 Å²	38	50.1 Å²	50.1	27%	0.266	28%	0.276	S	S	.	.	H	α-helix	trans	-89.1	-5.5	-178.9	62.6	0	0	0	0	114.8	T412 Q413 W418 R419	T412-S416 PolarHBondContact O-N 2.78Å; T412-S416 VanDerWaalsContact O-N 3.16Å; T412-S416 PolarHBondContact O-OG 3.25Å; Q413-S416 PolarHBondContact O-N 2.94Å; Q413-S416 PolarHBondContact O-OG 3.37Å; S416-W418 PolarHBondContact O-N 3.2Å; S416-R419 WeakPolarHBondContact O-CB 3.23Å; S416-R419 VanDerWaalsContact O-CG 3.25Å; S416-R419 WeakPolarHBondContact O-CG 3.43Å; S416-R419 PolarHBondContact O-N 3.01Å
417	A	94.5	Very high	92.4	Very high	28 Å²	28	48.5 Å²	48.5	23%	0.231	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-21.5	-175.4	0	0	0	0	0	115.6	Q413 R419 V421	Q413-A417 WeakPolarHBondContact O-CB 3.35Å; Q413-A417 PolarHBondContact O-N 3.44Å; A417-R419 PolarHBondContact O-N 3.1Å; A417-V421 WeakPolarHBondContact O-CG2 3.42Å
418	W	96.6	Very high	92.7	Very high	7 Å²	7	51.9 Å²	51.9	3%	0.027	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-29.4	176.1	67.4	-93.9	0	0	0	112.7	R276 A277 N280 A415 S416 M420 V421 L422 I427 A452 L459	R276-W418 HydrophobicContact CB-CB 4.49Å; R276-W418 HydrophobicContact CB-CD2 3.57Å; R276-W418 HydrophobicContact CB-CE3 3.71Å; R276-W418 HydrophobicContact CB-CG 3.94Å; R276-W418 HydrophobicContact CB-CZ2 4.44Å; R276-W418 HydrophobicContact CB-CZ3 4.22Å; R276-W418 HydrophobicContact CG-CE3 4.38Å; R276-W418 HydrophobicContact CG-CZ3 4.44Å; R276-W418 VanDerWaalsContact NE-CH2 3.3Å; R276-W418 VanDerWaalsContact NE-CZ2 3.29Å; A277-W418 HydrophobicContact CB-CG 4.41Å; N280-W418 HydrophobicContact CB-CB 3.77Å; N280-W418 WeakPolarHBondContact ND2-CA 3.42Å; N280-W418 PolarHBondContact ND2-N 2.84Å; A415-W418 VanDerWaalsContact O-CD1 3.29Å; S416-W418 PolarHBondContact O-N 3.2Å; W418-M420 PolarHBondContact O-N 3.32Å; W418-V421 PolarHBondContact O-N 3.4Å; W418-L422 HydrophobicContact CB-CD1 4Å; W418-L422 HydrophobicContact CB-CG 4.2Å; W418-L422 PolarHBondContact O-N 3.28Å; W418-I427 HydrophobicContact CE3-CD1 4.11Å; W418-I427 HydrophobicContact CE3-CG1 4.12Å; W418-I427 HydrophobicContact CZ3-CD1 3.86Å; W418-I427 HydrophobicContact CZ3-CG1 4.05Å; W418-I427 HydrophobicContact CZ3-CG2 4.31Å; W418-A452 HydrophobicContact CZ3-CB 4.49Å; W418-L459 HydrophobicContact CH2-CD1 3.7Å; W418-L459 HydrophobicContact CZ2-CD1 3.88Å
419	R	96.9	Very high	92.9	Very high	17 Å²	17	51.2 Å²	51.2	6%	0.064	27%	0.271	C	S	.	.	H	α-helix	trans	-57.5	-34.2	-178	-68.6	-172.6	75.5	173.6	8.4	113.1	S416 A417 E451 A452 K453 D454 L455 K457	S416-R419 WeakPolarHBondContact O-CB 3.23Å; S416-R419 VanDerWaalsContact O-CG 3.25Å; S416-R419 WeakPolarHBondContact O-CG 3.43Å; S416-R419 PolarHBondContact O-N 3.01Å; A417-R419 PolarHBondContact O-N 3.1Å; R419-E451 PolarHBondContact NH2-O 3.42Å; R419-E451 VanDerWaalsContact NH2-O 3.08Å; R419-A452 WeakPolarHBondContact CB-O 3.41Å; R419-A452 WeakPolarHBondContact CG-O 3.47Å; R419-A452 PolarHBondContact NE-O 2.89Å; R419-A452 PolarHBondContact NH2-O 3.28Å; R419-K453 WeakPolarHBondContact O-CG 3.44Å; R419-D454 PolarHBondContact NH1-O 3.39Å; R419-D454 PolarHBondContact NH2-O 3.39Å; R419-L455 HydrophobicContact CB-CD2 3.98Å; R419-L455 HydrophobicContact CG-CD2 4.36Å; R419-K457 PolarHBondContact NH1-O 3.47Å; R419-K457 PolarHBondContact NH2-O 3.06Å
420	M	95.4	Very high	93.3	Very high	112 Å²	112	47.7 Å²	47.7	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-99.4	-16.5	-178.7	-61.5	-56.7	-70.1	0	0	113.8	W418 K453	W418-M420 PolarHBondContact O-N 3.32Å; M420-K453 HydrophobicContact SD-CB 3.86Å; M420-K453 HydrophobicContact SD-CD 4.44Å; M420-K453 HydrophobicContact SD-CG 3.79Å
421	V	93.5	Very high	93.6	Very high	79 Å²	79	44.2 Å²	44.2	48%	0.479	24%	0.239	S	C	.	.	H	α-helix	trans	-106.1	-39.7	-168.2	176	0	0	0	0	112.7	N280 A417 W418	N280-V421 WeakPolarHBondContact OD1-CG1 3.45Å; A417-V421 WeakPolarHBondContact O-CG2 3.42Å; W418-V421 PolarHBondContact O-N 3.4Å
422	L	93.3	Very high	93.8	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.068	26%	0.258	C	S	.	.	S	Bend	trans	-77.9	143.9	-178.1	-65.6	-175.3	0	0	0	111.2	R276 N280 I283 W418 Q426 I427	R276-L422 HydrophobicContact CB-CD1 4.33Å; R276-L422 WeakPolarHBondContact O-CD1 3.25Å; N280-L422 HydrophobicContact CB-CD1 4.13Å; N280-L422 HydrophobicContact CB-CD2 3.95Å; N280-L422 HydrophobicContact CB-CG 4Å; I283-L422 HydrophobicContact CD1-CD2 3.79Å; W418-L422 HydrophobicContact CB-CD1 4Å; W418-L422 HydrophobicContact CB-CG 4.2Å; W418-L422 PolarHBondContact O-N 3.28Å; L422-Q426 HydrophobicContact CB-CB 4.42Å; L422-I427 HydrophobicContact CB-CD1 4.11Å; L422-I427 HydrophobicContact CB-CG1 3.71Å; L422-I427 HydrophobicContact CD1-CG1 4.23Å
423	S	92.6	Very high	94	Very high	50 Å²	50	46.8 Å²	46.8	35%	0.35	25%	0.247	S	C	.	.			trans	-71.1	156.2	168.7	82.4	0	0	0	0	110.5	Q425 Q426 I427	S423-Q425 PolarHBondContact O-N 3.15Å; S423-Q425 PolarHBondContact OG-N 2.98Å; S423-Q426 PolarHBondContact O-N 2.92Å; S423-Q426 VanDerWaalsContact O-N 3.11Å; S423-Q426 WeakPolarHBondContact OG-CG 3.38Å; S423-Q426 PolarHBondContact OG-N 2.95Å; S423-I427 WeakPolarHBondContact O-CG1 3.46Å; S423-I427 PolarHBondContact O-N 2.85Å
424	I	92.8	Very high	94.3	Very high	47 Å²	47	40.4 Å²	40.4	24%	0.241	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-31.4	177.1	-170.5	57.2	0	0	0	112.4	I427 K428 V446 A449	I424-I427 PolarHBondContact O-N 3.04Å; I424-K428 HydrophobicContact CD1-CG 4.36Å; I424-K428 HydrophobicContact CG1-CD 4.3Å; I424-K428 HydrophobicContact CG1-CG 4.44Å; I424-K428 WeakPolarHBondContact O-CB 3.47Å; I424-K428 VanDerWaalsContact O-CG 3.31Å; I424-K428 WeakPolarHBondContact O-CG 3.4Å; I424-K428 PolarHBondContact O-N 3.47Å; I424-V446 HydrophobicContact CD1-CG2 4.33Å; I424-A449 HydrophobicContact CB-CB 4.25Å
425	Q	90.4	Very high	94.6	Very high	126 Å²	126	43.5 Å²	43.5	59%	0.589	23%	0.225	S	C	*	.	H	α-helix	trans	-66.1	-44.9	175.1	-69.1	171.5	-17.9	0	0	111.2	S423 I427 K428 Q429	S423-Q425 PolarHBondContact O-N 3.15Å; S423-Q425 PolarHBondContact OG-N 2.98Å; Q425-I427 VanDerWaalsContact C-N 3.34Å; Q425-K428 PolarHBondContact O-N 3.15Å; Q425-Q429 WeakPolarHBondContact O-CB 3.38Å; Q425-Q429 PolarHBondContact O-N 3.46Å
426	Q	92.3	Very high	94.7	Very high	44 Å²	44	46.1 Å²	46.1	21%	0.206	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-41.1	176	-68	174.2	-40.3	0	0	111.4	I327 L422 S423 V430	I327-Q426 HydrophobicContact CD1-CB 3.96Å; I327-Q426 HydrophobicContact CD1-CG 3.62Å; L422-Q426 HydrophobicContact CB-CB 4.42Å; S423-Q426 PolarHBondContact O-N 2.92Å; S423-Q426 VanDerWaalsContact O-N 3.11Å; S423-Q426 WeakPolarHBondContact OG-CG 3.38Å; S423-Q426 PolarHBondContact OG-N 2.95Å; Q426-V430 WeakPolarHBondContact O-CG2 3.35Å; Q426-V430 PolarHBondContact O-N 2.94Å; Q426-V430 VanDerWaalsContact O-N 3.1Å
427	I	95.1	Very high	94.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-54.2	176	-68.8	163.6	0	0	0	110.1	W418 L422 S423 I424 Q425 Q429 V430 E431 V446 A452	W418-I427 HydrophobicContact CE3-CD1 4.11Å; W418-I427 HydrophobicContact CE3-CG1 4.12Å; W418-I427 HydrophobicContact CZ3-CD1 3.86Å; W418-I427 HydrophobicContact CZ3-CG1 4.05Å; W418-I427 HydrophobicContact CZ3-CG2 4.31Å; L422-I427 HydrophobicContact CB-CD1 4.11Å; L422-I427 HydrophobicContact CB-CG1 3.71Å; L422-I427 HydrophobicContact CD1-CG1 4.23Å; S423-I427 WeakPolarHBondContact O-CG1 3.46Å; S423-I427 PolarHBondContact O-N 2.85Å; I424-I427 PolarHBondContact O-N 3.04Å; Q425-I427 VanDerWaalsContact C-N 3.34Å; I427-Q429 VanDerWaalsContact C-N 3.32Å; I427-Q429 PolarHBondContact O-N 3.24Å; I427-V430 PolarHBondContact O-N 3.3Å; I427-V430 VanDerWaalsContact O-N 3.14Å; I427-E431 HydrophobicContact CG2-CG 4.18Å; I427-E431 WeakPolarHBondContact CG2-OE1 3.36Å; I427-E431 WeakPolarHBondContact O-CG 3.36Å; I427-E431 PolarHBondContact O-N 2.91Å; I427-V446 HydrophobicContact CG2-CG2 3.54Å; I427-A452 HydrophobicContact CD1-CB 3.87Å
428	K	94.8	Very high	95	Very high	91 Å²	91	43.2 Å²	43.2	40%	0.396	21%	0.214	S	C	.	.	H	α-helix	trans	-58.1	-43.4	-179.9	-74.9	-178.7	176	-174.6	0	112.1	I424 Q425 V430 E431 D432 R447	I424-K428 HydrophobicContact CD1-CG 4.36Å; I424-K428 HydrophobicContact CG1-CD 4.3Å; I424-K428 HydrophobicContact CG1-CG 4.44Å; I424-K428 WeakPolarHBondContact O-CB 3.47Å; I424-K428 VanDerWaalsContact O-CG 3.31Å; I424-K428 WeakPolarHBondContact O-CG 3.4Å; I424-K428 PolarHBondContact O-N 3.47Å; Q425-K428 PolarHBondContact O-N 3.15Å; K428-V430 VanDerWaalsContact C-N 3.34Å; K428-V430 PolarHBondContact O-N 2.91Å; K428-E431 PolarHBondContact O-N 2.83Å; K428-D432 WeakPolarHBondContact O-CB 3.34Å; K428-D432 PolarHBondContact O-N 3.33Å; K428-R447 WeakPolarHBondContact CE-O 3.35Å; K428-R447 PolarHBondContact NZ-O 3.45Å
429	Q	92.6	Very high	95	Very high	19 Å²	19	45.5 Å²	45.5	9%	0.089	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-43.6	177.1	-177.2	173.5	23.2	0	0	112.4	F309 I327 Q425 I427 Y433	F309-Q429 HydrophobicContact CB-CG 4.5Å; F309-Q429 HydrophobicContact CD1-CB 4.03Å; F309-Q429 HydrophobicContact CD1-CG 4.44Å; F309-Q429 HydrophobicContact CD2-CB 4.11Å; F309-Q429 HydrophobicContact CD2-CG 3.62Å; F309-Q429 HydrophobicContact CE1-CB 4.18Å; F309-Q429 HydrophobicContact CE2-CB 4.27Å; F309-Q429 HydrophobicContact CE2-CG 3.84Å; F309-Q429 HydrophobicContact CG-CB 3.99Å; F309-Q429 HydrophobicContact CG-CG 3.94Å; F309-Q429 HydrophobicContact CZ-CB 4.3Å; F309-Q429 HydrophobicContact CZ-CG 4.34Å; I327-Q429 HydrophobicContact CG2-CG 3.89Å; Q425-Q429 WeakPolarHBondContact O-CB 3.38Å; Q425-Q429 PolarHBondContact O-N 3.46Å; I427-Q429 VanDerWaalsContact C-N 3.32Å; I427-Q429 PolarHBondContact O-N 3.24Å; Q429-Y433 HydrophobicContact CG-CD2 4.3Å; Q429-Y433 HydrophobicContact CG-CE2 3.66Å; Q429-Y433 PolarHBondContact NE2-OH 3.38Å; Q429-Y433 WeakPolarHBondContact O-CD2 3.35Å; Q429-Y433 VanDerWaalsContact O-CG 3.31Å; Q429-Y433 PolarHBondContact O-N 3.48Å
430	V	96.1	Very high	95.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-42.8	176.2	174.1	0	0	0	0	110.9	P275 R276 A279 I327 Q426 I427 K428 D432 Y433 C434	P275-V430 HydrophobicContact CB-CG1 3.91Å; P275-V430 HydrophobicContact CG-CG1 4.39Å; R276-V430 HydrophobicContact CG-CB 4.41Å; R276-V430 HydrophobicContact CG-CG1 3.99Å; A279-V430 HydrophobicContact CB-CG1 4.41Å; A279-V430 HydrophobicContact CB-CG2 3.61Å; I327-V430 HydrophobicContact CG2-CG2 4.1Å; Q426-V430 WeakPolarHBondContact O-CG2 3.35Å; Q426-V430 PolarHBondContact O-N 2.94Å; Q426-V430 VanDerWaalsContact O-N 3.1Å; I427-V430 PolarHBondContact O-N 3.3Å; I427-V430 VanDerWaalsContact O-N 3.14Å; K428-V430 VanDerWaalsContact C-N 3.34Å; K428-V430 PolarHBondContact O-N 2.91Å; V430-D432 VanDerWaalsContact C-N 3.31Å; V430-D432 PolarHBondContact O-N 2.85Å; V430-Y433 PolarHBondContact O-N 3.28Å; V430-C434 WeakPolarHBondContact O-CB 3.16Å; V430-C434 PolarHBondContact O-N 2.99Å; V430-C434 PolarHBondContact O-SG 3.36Å
431	E	97.2	Very high	95.2	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-38.6	177.6	-71	-175	173.5	0	0	112.2	R276 I427 K428 C434 H435 M438 R445 V446	R276-E431 WeakPolarHBondContact CD-OE1 3.19Å; R276-E431 HydrophobicContact CG-CG 4.43Å; R276-E431 IonicContact CZ-OE1 2.8Å; R276-E431 IonicContact NE-OE1 3Å; R276-E431 IonicContact NH1-OE1 3.09Å; R276-E431 PolarHBondContact NH1-OE1 3.09Å; I427-E431 HydrophobicContact CG2-CG 4.18Å; I427-E431 WeakPolarHBondContact CG2-OE1 3.36Å; I427-E431 WeakPolarHBondContact O-CG 3.36Å; I427-E431 PolarHBondContact O-N 2.91Å; K428-E431 PolarHBondContact O-N 2.83Å; E431-C434 CarbonylContact O-C 3.28Å; E431-C434 PolarHBondContact O-N 2.89Å; E431-H435 VanDerWaalsContact O-CA 3.24Å; E431-H435 WeakPolarHBondContact O-CA 3.36Å; E431-H435 VanDerWaalsContact O-CB 3.27Å; E431-H435 WeakPolarHBondContact O-CB 3.41Å; E431-H435 PolarHBondContact O-N 2.93Å; E431-M438 HydrophobicContact CB-SD 4.31Å; E431-M438 HydrophobicContact CG-CE 4Å; E431-M438 HydrophobicContact CG-SD 3.94Å; E431-R445 HydrophobicContact CB-CG 4.25Å; E431-R445 HydrophobicContact CG-CG 4.22Å; E431-R445 WeakPolarHBondContact OE1-CA 3.33Å; E431-R445 WeakPolarHBondContact OE2-CB 3.31Å; E431-V446 PolarHBondContact OE1-N 2.95Å; E431-V446 VanDerWaalsContact OE1-N 3.1Å; E431-V446 PolarHBondContact OE2-N 3.21Å
432	D	94.8	Very high	95.4	Very high	80 Å²	80	36.1 Å²	36.1	43%	0.428	18%	0.182	S	C	.	.	H	α-helix	trans	-64.9	-46.1	176.9	-70.2	-21.6	0	0	0	111.2	F309 K428 V430 C434 H435	F309-D432 VanDerWaalsContact CZ-OD2 3.3Å; F309-D432 WeakPolarHBondContact CZ-OD2 3.44Å; K428-D432 WeakPolarHBondContact O-CB 3.34Å; K428-D432 PolarHBondContact O-N 3.33Å; V430-D432 VanDerWaalsContact C-N 3.31Å; V430-D432 PolarHBondContact O-N 2.85Å; D432-C434 VanDerWaalsContact C-N 3.28Å; D432-C434 PolarHBondContact O-N 3.37Å; D432-H435 PolarHBondContact O-ND1 2.91Å
433	Y	95.3	Very high	95.6	Very high	46 Å²	46	35.8 Å²	35.8	18%	0.18	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-34.6	174.9	-66.6	-20.5	0	0	0	113	I327 M330 E331 C334 Q429 V430	I327-Y433 HydrophobicContact CG2-CE2 4.28Å; M330-Y433 HydrophobicContact CB-CD2 4.27Å; E331-Y433 HydrophobicContact CB-CD1 4.11Å; E331-Y433 HydrophobicContact CB-CD2 3.98Å; E331-Y433 HydrophobicContact CB-CE1 4.21Å; E331-Y433 HydrophobicContact CB-CE2 4.08Å; E331-Y433 HydrophobicContact CB-CG 4.01Å; E331-Y433 HydrophobicContact CG-CD1 4.14Å; E331-Y433 HydrophobicContact CG-CE1 4.19Å; E331-Y433 HydrophobicContact CG-CG 4.49Å; C334-Y433 WeakPolarHBondContact CB-O 3.29Å; Q429-Y433 HydrophobicContact CG-CD2 4.3Å; Q429-Y433 HydrophobicContact CG-CE2 3.66Å; Q429-Y433 PolarHBondContact NE2-OH 3.38Å; Q429-Y433 WeakPolarHBondContact O-CD2 3.35Å; Q429-Y433 VanDerWaalsContact O-CG 3.31Å; Q429-Y433 PolarHBondContact O-N 3.48Å; V430-Y433 PolarHBondContact O-N 3.28Å
434	C	97.3	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-111.5	6.3	-167.2	-51.9	0	0	0	0	114	P275 C334 V430 E431 D432 H436 S437 M438	P275-C434 HydrophobicContact CB-CB 3.87Å; P275-C434 HydrophobicContact CG-CB 3.71Å; C334-C434 HydrophobicContact CB-CB 3.71Å; C334-C434 WeakPolarHBondContact CB-SG 3.42Å; C334-C434 WeakPolarHBondContact SG-CB 3.45Å; C334-C434 CovalentContact SG-SG 2.02Å; C334-C434 PolarHBondContact SG-SG 3.18Å; V430-C434 WeakPolarHBondContact O-CB 3.16Å; V430-C434 PolarHBondContact O-N 2.99Å; V430-C434 PolarHBondContact O-SG 3.36Å; E431-C434 CarbonylContact O-C 3.28Å; E431-C434 PolarHBondContact O-N 2.89Å; D432-C434 VanDerWaalsContact C-N 3.28Å; D432-C434 PolarHBondContact O-N 3.37Å; C434-H436 VanDerWaalsContact C-N 3.27Å; C434-H436 PolarHBondContact O-N 2.94Å; C434-H436 VanDerWaalsContact O-N 3.13Å; C434-S437 PolarHBondContact O-N 3.18Å; C434-S437 VanDerWaalsContact O-N 3.09Å; C434-M438 HydrophobicContact CB-CG 4.17Å; C434-M438 HydrophobicContact CB-SD 4.25Å; C434-M438 WeakPolarHBondContact O-CB 3.38Å; C434-M438 WeakPolarHBondContact O-CG 3.38Å; C434-M438 PolarHBondContact O-N 3.35Å
435	H	96.4	Very high	96	Very high	99 Å²	99	42.3 Å²	42.3	46%	0.458	20%	0.198	S	C	.	.	H	α-helix	trans	-52.9	-42.3	-170.5	71.8	-82	0	0	0	112.9	E431 D432 M438 S439	E431-H435 VanDerWaalsContact O-CA 3.24Å; E431-H435 WeakPolarHBondContact O-CA 3.36Å; E431-H435 VanDerWaalsContact O-CB 3.27Å; E431-H435 WeakPolarHBondContact O-CB 3.41Å; E431-H435 PolarHBondContact O-N 2.93Å; D432-H435 PolarHBondContact O-ND1 2.91Å; H435-M438 PolarHBondContact O-N 3.41Å; H435-S439 WeakPolarHBondContact O-CB 3.37Å; H435-S439 PolarHBondContact O-N 3.22Å
436	H	95.9	Very high	96.3	Very high	63 Å²	63	36.5 Å²	36.5	29%	0.292	17%	0.171	S	C	.	.	H	α-helix	trans	-66.3	-51.3	179.9	-171.3	78.2	0	0	0	111.3	C434 M438 S439 V440	C434-H436 VanDerWaalsContact C-N 3.27Å; C434-H436 PolarHBondContact O-N 2.94Å; C434-H436 VanDerWaalsContact O-N 3.13Å; H436-M438 VanDerWaalsContact C-N 3.3Å; H436-M438 PolarHBondContact O-N 3.36Å; H436-S439 PolarHBondContact O-N 2.96Å; H436-S439 PolarHBondContact O-OG 3.3Å; H436-V440 PolarHBondContact O-N 3.42Å
437	S	96.8	Very high	96.4	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-57.4	-43.4	175.5	-69.9	0	0	0	0	111.9	C334 S338 C434 S439 V440 L441	C334-S437 PolarHBondContact O-OG 2.94Å; S338-S437 WeakPolarHBondContact CA-OG 3.23Å; S338-S437 PolarHBondContact N-OG 3.34Å; S338-S437 PolarHBondContact OG-OG 3.33Å; C434-S437 PolarHBondContact O-N 3.18Å; C434-S437 VanDerWaalsContact O-N 3.09Å; S437-S439 PolarHBondContact O-N 2.98Å; S437-V440 PolarHBondContact O-N 3.45Å; S437-L441 WeakPolarHBondContact O-CB 3.46Å; S437-L441 VanDerWaalsContact O-CG 3.26Å; S437-L441 WeakPolarHBondContact O-CG 3.47Å; S437-L441 PolarHBondContact O-N 2.94Å
438	M	98.2	Very high	96.4	Very high	1 Å²	1	48 Å²	48	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-44.4	177.5	-72.4	-179.9	70.5	0	0	112.4	P275 E431 C434 H435 H436 V440 L441 G442 Y443 R445	P275-M438 HydrophobicContact CG-CG 3.54Å; P275-M438 HydrophobicContact CG-SD 3.76Å; E431-M438 HydrophobicContact CB-SD 4.31Å; E431-M438 HydrophobicContact CG-CE 4Å; E431-M438 HydrophobicContact CG-SD 3.94Å; C434-M438 HydrophobicContact CB-CG 4.17Å; C434-M438 HydrophobicContact CB-SD 4.25Å; C434-M438 WeakPolarHBondContact O-CB 3.38Å; C434-M438 WeakPolarHBondContact O-CG 3.38Å; C434-M438 PolarHBondContact O-N 3.35Å; H435-M438 PolarHBondContact O-N 3.41Å; H436-M438 VanDerWaalsContact C-N 3.3Å; H436-M438 PolarHBondContact O-N 3.36Å; M438-V440 VanDerWaalsContact C-N 3.26Å; M438-V440 PolarHBondContact O-N 2.89Å; M438-L441 PolarHBondContact O-N 3.39Å; M438-G442 PolarHBondContact O-N 3.43Å; M438-Y443 HydrophobicContact CG-CD2 4.25Å; M438-Y443 PolarHBondContact O-N 2.91Å; M438-R445 HydrophobicContact CE-CG 4.1Å
439	S	97.4	Very high	96.4	Very high	55 Å²	55	45.6 Å²	45.6	39%	0.385	22%	0.218	S	C	.	.	H	α-helix	trans	-65.4	-26.3	179.8	77.8	0	0	0	0	114.2	H435 H436 S437 K464	H435-S439 WeakPolarHBondContact O-CB 3.37Å; H435-S439 PolarHBondContact O-N 3.22Å; H436-S439 PolarHBondContact O-N 2.96Å; H436-S439 PolarHBondContact O-OG 3.3Å; S437-S439 PolarHBondContact O-N 2.98Å; S439-K464 VanDerWaalsContact O-CE 3.22Å; S439-K464 WeakPolarHBondContact O-CE 3.18Å; S439-K464 PolarHBondContact O-NZ 3.26Å
440	V	97.7	Very high	96.5	Very high	4 Å²	4	47 Å²	47	2%	0.024	24%	0.238	C	C	.	.	H	α-helix	trans	-84.1	-40.3	177.1	173.7	0	0	0	0	110.7	L341 L345 H436 S437 M438 G442 K464 L465	L341-V440 HydrophobicContact CB-CG1 4.19Å; L341-V440 HydrophobicContact CD1-CB 4.28Å; L341-V440 HydrophobicContact CD1-CG1 4.36Å; L345-V440 HydrophobicContact CD1-CG1 3.86Å; L345-V440 HydrophobicContact CD1-CG2 3.93Å; L345-V440 HydrophobicContact CD2-CG1 4.33Å; L345-V440 HydrophobicContact CG-CG1 4.24Å; H436-V440 PolarHBondContact O-N 3.42Å; S437-V440 PolarHBondContact O-N 3.45Å; M438-V440 VanDerWaalsContact C-N 3.26Å; M438-V440 PolarHBondContact O-N 2.89Å; V440-G442 VanDerWaalsContact C-N 3.31Å; V440-G442 PolarHBondContact O-N 2.88Å; V440-K464 HydrophobicContact CG1-CB 4.4Å; V440-K464 PolarHBondContact O-N 3.28Å; V440-L465 HydrophobicContact CG1-CD1 4.41Å; V440-L465 HydrophobicContact CG1-CG 4.08Å
441	L	97.6	Very high	96.5	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-84.1	-4.1	-175.8	-64.4	178.2	0	0	0	114.2	V272 L341 R359 S437 M438 Y443 L465	V272-L441 HydrophobicContact CB-CD1 3.81Å; V272-L441 HydrophobicContact CB-CD2 4.28Å; V272-L441 HydrophobicContact CG1-CD1 4.02Å; V272-L441 HydrophobicContact CG1-CD2 4.2Å; V272-L441 HydrophobicContact CG2-CD1 4.07Å; V272-L441 HydrophobicContact CG2-CD2 3.8Å; V272-L441 HydrophobicContact CG2-CG 4.48Å; L341-L441 HydrophobicContact CD1-CD1 3.96Å; L341-L441 HydrophobicContact CD1-CD2 4.24Å; L341-L441 HydrophobicContact CD1-CG 3.85Å; L341-L441 HydrophobicContact CD2-CD1 4.44Å; L341-L441 HydrophobicContact CD2-CD2 3.62Å; L341-L441 HydrophobicContact CD2-CG 4.16Å; R359-L441 PolarHBondContact NH1-O 3.07Å; S437-L441 WeakPolarHBondContact O-CB 3.46Å; S437-L441 VanDerWaalsContact O-CG 3.26Å; S437-L441 WeakPolarHBondContact O-CG 3.47Å; S437-L441 PolarHBondContact O-N 2.94Å; M438-L441 PolarHBondContact O-N 3.39Å; L441-Y443 HydrophobicContact CB-CD2 3.74Å; L441-Y443 HydrophobicContact CB-CE2 3.46Å; L441-Y443 VanDerWaalsContact CB-CE2 3.46Å; L441-Y443 HydrophobicContact CD1-CE2 3.83Å; L441-Y443 HydrophobicContact CG-CE2 4.3Å; L441-L465 HydrophobicContact CD2-CD1 4.05Å
442	G	97.6	Very high	96.4	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	44.8	179.1	0	0	0	0	0	112.9	R359 M438 V440 L460 T461	R359-G442 PolarHBondContact NH1-O 3.09Å; M438-G442 PolarHBondContact O-N 3.43Å; V440-G442 VanDerWaalsContact C-N 3.31Å; V440-G442 PolarHBondContact O-N 2.88Å; G442-L460 CarbonylContact O-C 3.59Å; G442-L460 WeakPolarHBondContact O-CA 3.37Å; G442-T461 VanDerWaalsContact CA-OG1 3.28Å; G442-T461 WeakPolarHBondContact CA-OG1 3.42Å; G442-T461 PolarHBondContact O-N 3.47Å; G442-T461 PolarHBondContact O-OG1 3.16Å
443	Y	98.2	Very high	96.5	Very high	6 Å²	6	50.2 Å²	50.2	2%	0.024	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-106.2	119.7	170.3	-57.7	-63.1	0	0	0	110.5	R273 D274 R359 E361 M438 L441 L460	R273-Y443 WeakPolarHBondContact CA-OH 3.39Å; D274-Y443 HydrophobicContact CB-CD1 3.95Å; D274-Y443 HydrophobicContact CB-CE1 3.75Å; D274-Y443 VanDerWaalsContact N-CZ 3.29Å; D274-Y443 PolarHBondContact N-OH 3.41Å; D274-Y443 VanDerWaalsContact N-OH 3.14Å; R359-Y443 WeakPolarHBondContact CD-OH 3.15Å; R359-Y443 HydrophobicContact CG-CE1 4.44Å; R359-Y443 WeakPolarHBondContact CG-OH 3.32Å; E361-Y443 PolarHBondContact OE2-OH 2.67Å; E361-Y443 VanDerWaalsContact OE2-OH 3.1Å; M438-Y443 HydrophobicContact CG-CD2 4.25Å; M438-Y443 PolarHBondContact O-N 2.91Å; L441-Y443 HydrophobicContact CB-CD2 3.74Å; L441-Y443 HydrophobicContact CB-CE2 3.46Å; L441-Y443 VanDerWaalsContact CB-CE2 3.46Å; L441-Y443 HydrophobicContact CD1-CE2 3.83Å; L441-Y443 HydrophobicContact CG-CE2 4.3Å; Y443-L460 HydrophobicContact CD1-CD2 3.49Å; Y443-L460 VanDerWaalsContact CD1-CD2 3.49Å; Y443-L460 HydrophobicContact CE1-CD2 3.63Å
444	E	97.8	Very high	96.5	Very high	89 Å²	89	51.4 Å²	51.4	42%	0.416	26%	0.258	S	S	.	.			trans	-77.2	137.5	177.6	-67.1	-57.3	141.4	0	0	111.5	R276 L459 T461	R276-E444 PolarHBondContact NH1-O 2.92Å; R276-E444 PolarHBondContact NH2-O 3.49Å; R276-E444 VanDerWaalsContact NH2-O 3.13Å; E444-L459 HydrophobicContact CB-CB 4.31Å; E444-L459 HydrophobicContact CB-CD2 4.23Å; E444-L459 PolarHBondContact N-O 3.27Å; E444-T461 HydrophobicContact CG-CG2 3.86Å; E444-T461 WeakPolarHBondContact OE1-CG2 3.33Å; E444-T461 PolarHBondContact OE1-OG1 3.44Å
445	R	97.4	Very high	96.4	Very high	145 Å²	145	56.2 Å²	56.2	55%	0.547	28%	0.284	S	S	.	.			trans	-80.8	151.9	175.1	-70.7	-174.8	-68	174.4	-1.1	110.7	E431 M438	E431-R445 HydrophobicContact CB-CG 4.25Å; E431-R445 HydrophobicContact CG-CG 4.22Å; E431-R445 WeakPolarHBondContact OE1-CA 3.33Å; E431-R445 WeakPolarHBondContact OE2-CB 3.31Å; M438-R445 HydrophobicContact CE-CG 4.1Å
446	V	96.8	Very high	96.2	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.024	30%	0.298	C	S	.	.			trans	-114.3	138.5	-179.5	-57.5	0	0	0	0	111.5	I424 I427 E431 E451 A452 L459	I424-V446 HydrophobicContact CD1-CG2 4.33Å; I427-V446 HydrophobicContact CG2-CG2 3.54Å; E431-V446 PolarHBondContact OE1-N 2.95Å; E431-V446 VanDerWaalsContact OE1-N 3.1Å; E431-V446 PolarHBondContact OE2-N 3.21Å; V446-E451 WeakPolarHBondContact CA-OE2 3.47Å; V446-E451 HydrophobicContact CB-CB 4.38Å; V446-E451 HydrophobicContact CB-CG 4.08Å; V446-E451 HydrophobicContact CG1-CG 3.97Å; V446-A452 HydrophobicContact CB-CB 4.4Å; V446-A452 HydrophobicContact CG2-CB 3.89Å; V446-L459 HydrophobicContact CG1-CD1 3.59Å; V446-L459 HydrophobicContact CG1-CD2 3.92Å; V446-L459 HydrophobicContact CG1-CG 4.43Å
447	R	94	Very high	96.1	Very high	209 Å²	209	58.5 Å²	58.5	79%	0.789	31%	0.305	S	S	*	.	S	Bend	trans	-87.7	-36.1	-178.5	-64.5	-179.2	179.1	170.5	0.2	112.3	K428 E451	K428-R447 WeakPolarHBondContact CE-O 3.35Å; K428-R447 PolarHBondContact NZ-O 3.45Å; R447-E451 PolarHBondContact N-OE2 3.29Å
448	T	95.4	Very high	96	Very high	77 Å²	77	62.1 Å²	62.1	47%	0.472	33%	0.331	S	S	.	.	S	Bend	trans	-129.2	159.9	-172.5	71.5	0	0	0	0	111.8	G450 E451 A452	T448-G450 PolarHBondContact O-N 2.96Å; T448-G450 PolarHBondContact OG1-N 3.47Å; T448-E451 PolarHBondContact O-N 3.4Å; T448-E451 PolarHBondContact OG1-N 2.88Å; T448-A452 PolarHBondContact O-N 3.02Å; T448-A452 VanDerWaalsContact O-N 3.12Å
449	A	93.6	Very high	95.9	Very high	41 Å²	41	62.5 Å²	62.5	34%	0.339	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-29.8	173.2	0	0	0	0	0	112.4	I424 A452 K453	I424-A449 HydrophobicContact CB-CB 4.25Å; A449-A452 PolarHBondContact O-N 3.46Å; A449-K453 WeakPolarHBondContact O-CB 3.26Å; A449-K453 VanDerWaalsContact O-CG 3.27Å; A449-K453 WeakPolarHBondContact O-CG 3.47Å; A449-K453 PolarHBondContact O-N 2.93Å
450	G	95.9	Very high	95.9	Very high	49 Å²	49	62.3 Å²	62.3	51%	0.505	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-48.4	176	0	0	0	0	0	111.7	T448 A452 K453 D454	T448-G450 PolarHBondContact O-N 2.96Å; T448-G450 PolarHBondContact OG1-N 3.47Å; G450-A452 VanDerWaalsContact C-N 3.3Å; G450-A452 PolarHBondContact O-N 3.37Å; G450-K453 PolarHBondContact O-N 3.37Å; G450-K453 VanDerWaalsContact O-N 3.08Å; G450-D454 PolarHBondContact O-N 2.96Å
451	E	95.8	Very high	95.8	Very high	44 Å²	44	65 Å²	65	21%	0.206	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-41.2	175.4	-179.3	174	-149.3	0	0	111.8	R419 V446 R447 T448 K453 D454 K457	R419-E451 PolarHBondContact NH2-O 3.42Å; R419-E451 VanDerWaalsContact NH2-O 3.08Å; V446-E451 WeakPolarHBondContact CA-OE2 3.47Å; V446-E451 HydrophobicContact CB-CB 4.38Å; V446-E451 HydrophobicContact CB-CG 4.08Å; V446-E451 HydrophobicContact CG1-CG 3.97Å; R447-E451 PolarHBondContact N-OE2 3.29Å; T448-E451 PolarHBondContact O-N 3.4Å; T448-E451 PolarHBondContact OG1-N 2.88Å; E451-K453 VanDerWaalsContact C-N 3.28Å; E451-K453 PolarHBondContact O-N 3.4Å; E451-D454 PolarHBondContact O-N 2.96Å; E451-K457 IonicContact OE1-NZ 3.99Å; E451-K457 PolarHBondContact OE1-NZ 3.43Å
452	A	95.2	Very high	95.7	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.008	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-40	174.7	0	0	0	0	0	112	W418 R419 I427 V446 T448 A449 G450	W418-A452 HydrophobicContact CZ3-CB 4.49Å; R419-A452 WeakPolarHBondContact CB-O 3.41Å; R419-A452 WeakPolarHBondContact CG-O 3.47Å; R419-A452 PolarHBondContact NE-O 2.89Å; R419-A452 PolarHBondContact NH2-O 3.28Å; I427-A452 HydrophobicContact CD1-CB 3.87Å; V446-A452 HydrophobicContact CB-CB 4.4Å; V446-A452 HydrophobicContact CG2-CB 3.89Å; T448-A452 PolarHBondContact O-N 3.02Å; T448-A452 VanDerWaalsContact O-N 3.12Å; A449-A452 PolarHBondContact O-N 3.46Å; G450-A452 VanDerWaalsContact C-N 3.3Å; G450-A452 PolarHBondContact O-N 3.37Å
453	K	96.5	Very high	95.4	Very high	109 Å²	109	77.2 Å²	77.2	47%	0.474	39%	0.394	S	S	.	.	H	α-helix	trans	-85.9	-14.8	-174.7	-71.3	176.3	179.3	-176	0	114.8	R419 M420 A449 G450 E451 L455	R419-K453 WeakPolarHBondContact O-CG 3.44Å; M420-K453 HydrophobicContact SD-CB 3.86Å; M420-K453 HydrophobicContact SD-CD 4.44Å; M420-K453 HydrophobicContact SD-CG 3.79Å; A449-K453 WeakPolarHBondContact O-CB 3.26Å; A449-K453 VanDerWaalsContact O-CG 3.27Å; A449-K453 WeakPolarHBondContact O-CG 3.47Å; A449-K453 PolarHBondContact O-N 2.93Å; G450-K453 PolarHBondContact O-N 3.37Å; G450-K453 VanDerWaalsContact O-N 3.08Å; E451-K453 VanDerWaalsContact C-N 3.28Å; E451-K453 PolarHBondContact O-N 3.4Å; K453-L455 PolarHBondContact O-N 3.06Å
454	D	96	Very high	95.2	Very high	72 Å²	72	83.4 Å²	83.4	39%	0.385	42%	0.421	S	S	.	.			trans	-73.6	85.4	-178.4	-179.9	7.4	0	0	0	112.7	R419 G450 E451 S456 K457	R419-D454 PolarHBondContact NH1-O 3.39Å; R419-D454 PolarHBondContact NH2-O 3.39Å; G450-D454 PolarHBondContact O-N 2.96Å; E451-D454 PolarHBondContact O-N 2.96Å; D454-S456 PolarHBondContact O-N 3.49Å; D454-S456 VanDerWaalsContact O-N 3.08Å; D454-S456 WeakPolarHBondContact OD1-CB 3.42Å; D454-S456 PolarHBondContact OD1-N 2.99Å; D454-S456 VanDerWaalsContact OD1-N 3.11Å; D454-S456 PolarHBondContact OD1-OG 2.97Å; D454-K457 PolarHBondContact O-N 3.34Å; D454-K457 VanDerWaalsContact O-N 3.11Å
455	L	93.6	Very high	94.7	Very high	101 Å²	101	83.4 Å²	83.4	53%	0.529	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.1	-178.5	-59.7	-175.9	0	0	0	114.4	R419 K453 K457	R419-L455 HydrophobicContact CB-CD2 3.98Å; R419-L455 HydrophobicContact CG-CD2 4.36Å; K453-L455 PolarHBondContact O-N 3.06Å; L455-K457 VanDerWaalsContact C-N 3.33Å
456	S	93.6	Very high	94.5	Very high	110 Å²	110	80.4 Å²	80.4	77%	0.769	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-27.4	175.9	77.2	0	0	0	0	112.5	D454	D454-S456 PolarHBondContact O-N 3.49Å; D454-S456 VanDerWaalsContact O-N 3.08Å; D454-S456 WeakPolarHBondContact OD1-CB 3.42Å; D454-S456 PolarHBondContact OD1-N 2.99Å; D454-S456 VanDerWaalsContact OD1-N 3.11Å; D454-S456 PolarHBondContact OD1-OG 2.97Å
457	K	93.3	Very high	94.4	Very high	99 Å²	99	84.4 Å²	84.4	43%	0.43	44%	0.438	S	S	.	.	S	Bend	trans	-89.1	124.3	177	-172.8	-178.7	176.7	-173.7	0	110.8	R419 E451 D454 L455	R419-K457 PolarHBondContact NH1-O 3.47Å; R419-K457 PolarHBondContact NH2-O 3.06Å; E451-K457 IonicContact OE1-NZ 3.99Å; E451-K457 PolarHBondContact OE1-NZ 3.43Å; D454-K457 PolarHBondContact O-N 3.34Å; D454-K457 VanDerWaalsContact O-N 3.11Å; L455-K457 VanDerWaalsContact C-N 3.33Å
458	S	94.1	Very high	94.4	Very high	81 Å²	81	77.4 Å²	77.4	57%	0.566	42%	0.419	S	S	*	.			trans	-68.9	137.6	168.5	-177	0	0	0	0	110.6	L460	S458-L460 PolarHBondContact OG-N 3.23Å; S458-L460 VanDerWaalsContact OG-N 3.15Å
459	L	96.7	Very high	94.4	Very high	9 Å²	9	77.5 Å²	77.5	5%	0.047	42%	0.415	C	S	.	.			trans	-107.8	18.8	171	-61.2	177.5	0	0	0	111.5	W418 E444 V446	W418-L459 HydrophobicContact CH2-CD1 3.7Å; W418-L459 HydrophobicContact CZ2-CD1 3.88Å; E444-L459 HydrophobicContact CB-CB 4.31Å; E444-L459 HydrophobicContact CB-CD2 4.23Å; E444-L459 PolarHBondContact N-O 3.27Å; V446-L459 HydrophobicContact CG1-CD1 3.59Å; V446-L459 HydrophobicContact CG1-CD2 3.92Å; V446-L459 HydrophobicContact CG1-CG 4.43Å
460	L	96.4	Very high	94.4	Very high	51 Å²	51	79.8 Å²	79.8	27%	0.267	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-109.6	130.7	177.8	-56.5	-178.8	0	0	0	109.7	E361 G442 Y443 S458	E361-L460 HydrophobicContact CB-CD1 3.73Å; E361-L460 HydrophobicContact CG-CD1 4.15Å; E361-L460 HydrophobicContact CG-CD2 4.34Å; G442-L460 CarbonylContact O-C 3.59Å; G442-L460 WeakPolarHBondContact O-CA 3.37Å; Y443-L460 HydrophobicContact CD1-CD2 3.49Å; Y443-L460 VanDerWaalsContact CD1-CD2 3.49Å; Y443-L460 HydrophobicContact CE1-CD2 3.63Å; S458-L460 PolarHBondContact OG-N 3.23Å; S458-L460 VanDerWaalsContact OG-N 3.15Å
461	T	96.7	Very high	94.3	Very high	60 Å²	60	81.8 Å²	81.8	37%	0.368	41%	0.414	S	S	.	.			trans	-117.1	178.7	168.3	51	0	0	0	0	110	R359 G442 E444 S463	R359-T461 PolarHBondContact NH1-O 3.49Å; G442-T461 VanDerWaalsContact CA-OG1 3.28Å; G442-T461 WeakPolarHBondContact CA-OG1 3.42Å; G442-T461 PolarHBondContact O-N 3.47Å; G442-T461 PolarHBondContact O-OG1 3.16Å; E444-T461 HydrophobicContact CG-CG2 3.86Å; E444-T461 WeakPolarHBondContact OE1-CG2 3.33Å; E444-T461 PolarHBondContact OE1-OG1 3.44Å; T461-S463 PolarHBondContact O-N 3.36Å
462	R	94.3	Very high	94.2	Very high	231 Å²	231	84.5 Å²	84.5	87%	0.872	43%	0.429	S	S	*	.			trans	-66	130	178.7	-171.3	177.8	175.8	178.1	-0.3	109.9
463	S	93.3	Very high	94.2	Very high	34 Å²	34	90.9 Å²	90.9	24%	0.238	46%	0.462	C	S	.	.			trans	-60.7	143.5	169.8	169.8	0	0	0	0	110.7	T461 L465	T461-S463 PolarHBondContact O-N 3.36Å; S463-L465 VanDerWaalsContact C-N 3.33Å; S463-L465 PolarHBondContact OG-N 3.29Å; S463-L465 PolarHBondContact OG-O 3.5Å
464	K	93.2	Very high	94	Very high	136 Å²	136	89.4 Å²	89.4	59%	0.591	46%	0.461	S	S	*	.			trans	-84.6	-8.7	172.3	-60	-177.6	-175.4	168.1	0	113.2	L345 S439 V440	L345-K464 HydrophobicContact CD2-CB 4.16Å; L345-K464 WeakPolarHBondContact CD2-O 3.38Å; S439-K464 VanDerWaalsContact O-CE 3.22Å; S439-K464 WeakPolarHBondContact O-CE 3.18Å; S439-K464 PolarHBondContact O-NZ 3.26Å; V440-K464 HydrophobicContact CG1-CB 4.4Å; V440-K464 PolarHBondContact O-N 3.28Å
465	L	86.6	Confident	93.8	Very high	89 Å²	89	91 Å²	91	47%	0.466	47%	0.468	S	S	.	.			trans	-89.9	0	174.2	-73.4	176.1	0	0	0	113	L341 A344 L345 A357 V440 L441 S463	L341-L465 HydrophobicContact CD2-CD1 3.37Å; A344-L465 HydrophobicContact CB-CD2 3.65Å; L345-L465 HydrophobicContact CD2-CD2 3.84Å; L345-L465 HydrophobicContact CD2-CG 4.39Å; L345-L465 HydrophobicContact CG-CD2 3.88Å; A357-L465 HydrophobicContact CB-CB 4.19Å; A357-L465 HydrophobicContact CB-CD1 3.77Å; V440-L465 HydrophobicContact CG1-CD1 4.41Å; V440-L465 HydrophobicContact CG1-CG 4.08Å; L441-L465 HydrophobicContact CD2-CD1 4.05Å; S463-L465 VanDerWaalsContact C-N 3.33Å; S463-L465 PolarHBondContact OG-N 3.29Å; S463-L465 PolarHBondContact OG-O 3.5Å

Retrieved 465 of 465 residues in 1235 ms (Link to these results)

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