A0A087YHF2_POEFO Loading...

[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial

Mitochondrial enzyme that catalyzes the dephosphorylation and concomitant reactivation of the alpha subunit of the E1 component of the pyruvate dehydrogenase complex (PDC), thereby stimulating the conversion of pyruvate into acetyl-CoA.

AlphaFold DB , UniProt , Accession A0A087YHF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 523 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	23.3	Very low	29.4	Very low	243 Å²	243	157.2 Å²	157.2	100%	1.197	86%	0.856	S	S	*	*				0	158.4	0	-86.5	-171.4	170.9	0	0	109.1
2	P	44.5	Very low	29.5	Very low	119 Å²	119	154.2 Å²	154.2	77%	0.773	85%	0.85	S	S	*	*			trans	-101.4	172.2	-155.8	39.2	-36.9	0	0	0	114.3
3	V	27.6	Very low	29.4	Very low	137 Å²	137	161.5 Å²	161.5	83%	0.83	86%	0.857	S	S	*	*			trans	-161.3	147.2	139.2	130.3	0	0	0	0	110.7
4	T	31.1	Very low	29.3	Very low	112 Å²	112	156.9 Å²	156.9	69%	0.687	85%	0.853	S	S	*	*			trans	-26.7	135.4	176.1	52	0	0	0	0	117.2
5	S	29.9	Very low	29.1	Very low	98 Å²	98	159.1 Å²	159.1	69%	0.685	85%	0.852	S	S	*	*				70.1	111	53.5	85.6	0	0	0	0	116
6	Q	29.5	Very low	28.8	Very low	191 Å²	191	157.8 Å²	157.8	89%	0.893	85%	0.85	S	S	*	*			trans	178.2	125.2	139.8	-105.6	179.4	49.1	0	0	111.6
7	L	28.5	Very low	28.6	Very low	179 Å²	179	159.8 Å²	159.8	94%	0.937	85%	0.85	S	S	*	*			trans	-171.3	134	130.5	-106.3	164.4	0	0	0	110.1
8	L	28.3	Very low	28.4	Very low	159 Å²	159	156.3 Å²	156.3	83%	0.832	85%	0.847	S	S	*	*			trans	-138	133.4	-173.8	-112.2	172.4	0	0	0	109.7
9	R	27.3	Very low	28.3	Very low	246 Å²	246	154.4 Å²	154.4	93%	0.928	85%	0.847	S	S	*	*			trans	137	140.8	146.3	-77.6	164.6	-176.3	-152.8	0.8	111.9
10	G	24.9	Very low	28.2	Very low	73 Å²	73	152.4 Å²	152.4	75%	0.753	84%	0.844	S	S	*	*			trans	162.1	5.6	162.4	0	0	0	0	0	121.7
11	L	29	Very low	28.1	Very low	172 Å²	172	153.4 Å²	153.4	90%	0.901	85%	0.847	S	S	*	*			trans	-131.7	141.8	177.8	-73.4	175.9	0	0	0	114
12	P	30	Very low	28.3	Very low	121 Å²	121	149.3 Å²	149.3	79%	0.786	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-85	159.1	-177.8	34.6	-35.6	0	0	0	113.6
13	R	27.9	Very low	27.6	Very low	250 Å²	250	149.1 Å²	149.1	94%	0.943	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-79.3	129.3	179.6	-70.5	170.8	164.1	170.3	-7.7	112.5
14	A	28.7	Very low	27.4	Very low	97 Å²	97	149 Å²	149	80%	0.802	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-92.4	156.6	151.5	0	0	0	0	0	110.2
15	K	26.1	Very low	27.3	Very low	190 Å²	190	151.9 Å²	151.9	83%	0.826	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-93.2	128.7	-175.5	-65.9	178.5	-177.9	175.3	0	111.5
16	V	24.7	Very low	27.1	Very low	137 Å²	137	156.3 Å²	156.3	83%	0.83	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-82.3	130.1	161.7	177.8	0	0	0	0	108.4
17	F	25.7	Very low	26.9	Very low	192 Å²	192	155.8 Å²	155.8	84%	0.842	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-101.9	126.8	159.9	-93.6	-82.6	0	0	0	108.4
18	A	24.1	Very low	26.9	Very low	97 Å²	97	155.5 Å²	155.5	80%	0.802	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-100.1	138	172.6	0	0	0	0	0	109.7
19	S	27	Very low	27	Very low	121 Å²	121	153.8 Å²	153.8	85%	0.846	84%	0.837	S	S	*	*			trans	-116.2	141.5	163.6	48.8	0	0	0	0	108.9
20	S	26.8	Very low	26.9	Very low	113 Å²	113	150.6 Å²	150.6	79%	0.79	83%	0.832	S	S	*	*			trans	-84.1	134.7	-165.6	49.9	0	0	0	0	113.7
21	L	25.7	Very low	27	Very low	174 Å²	174	155.7 Å²	155.7	91%	0.911	84%	0.841	S	S	*	*			trans	-69.7	143.7	160.8	-68.3	165.4	0	0	0	110.7
22	L	28	Very low	26.7	Very low	158 Å²	158	150.9 Å²	150.9	83%	0.827	83%	0.833	S	S	*	*			trans	-134.6	139	162.4	-81.4	173.2	0	0	0	109
23	P	28.3	Very low	26.5	Very low	114 Å²	114	150.8 Å²	150.8	74%	0.74	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-89.1	136.4	-174.3	33.7	-33.6	0	0	0	112.7
24	C	24.4	Very low	26.6	Very low	136 Å²	136	146.7 Å²	146.7	92%	0.919	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-84.1	134.8	164.4	-69.5	0	0	0	0	110.4
25	Q	27.8	Very low	26.6	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-96.2	143.5	177.5	-67.9	-179.8	-30.2	0	0	111.2
26	H	26.4	Very low	26.7	Very low	191 Å²	191	143.5 Å²	143.5	88%	0.884	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-69.4	140.2	168.4	-80	-69.4	0	0	0	111.5
27	H	26.4	Very low	26.8	Very low	179 Å²	179	144 Å²	144	83%	0.829	83%	0.827	S	S	*	*			trans	-133.6	120.4	162.1	-92.6	19.2	0	0	0	110.3
28	Q	26.8	Very low	26.8	Very low	173 Å²	173	146 Å²	146	81%	0.808	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-93.3	139.3	163.7	-69.7	178.1	-35.4	0	0	109.3
29	P	30.6	Very low	26.9	Very low	124 Å²	124	144.6 Å²	144.6	81%	0.805	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-92.7	126.7	167.3	33.2	-29.2	0	0	0	111.6
30	H	25.6	Very low	27.3	Very low	178 Å²	178	145 Å²	145	82%	0.824	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.4	153.2	168.8	-83.1	-91.8	0	0	0	112.1
31	L	26.8	Very low	27.2	Very low	181 Å²	181	144.4 Å²	144.4	95%	0.948	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.2	144.2	167.2	-97	70.3	0	0	0	111.6
32	G	24.2	Very low	27.4	Very low	70 Å²	70	144.8 Å²	144.8	72%	0.722	82%	0.816	S	S	*	*			trans	-168.2	91.5	176.1	0	0	0	0	0	115.8
33	S	25.6	Very low	27.3	Very low	119 Å²	119	143.2 Å²	143.2	83%	0.832	81%	0.813	S	S	*	*			trans	23.7	131	151.9	56.5	0	0	0	0	122.8
34	L	29.8	Very low	27.2	Very low	165 Å²	165	149.4 Å²	149.4	86%	0.864	82%	0.822	S	S	*	*			trans	-62.8	163	161.7	-66.6	164.1	0	0	0	113.5
35	P	28.7	Very low	27.4	Very low	130 Å²	130	151.5 Å²	151.5	84%	0.844	82%	0.818	S	S	*	*				-134.4	173.5	106.2	38.6	-30.1	0	0	0	114.2
36	A	26.7	Very low	27.4	Very low	89 Å²	89	150.3 Å²	150.3	74%	0.736	82%	0.823	S	S	*	*			trans	-129.2	166.7	-175.8	0	0	0	0	0	112.3
37	L	27.2	Very low	27.5	Very low	149 Å²	149	150 Å²	150	78%	0.78	82%	0.822	S	S	*	*			trans	-174	137.4	149.9	-101.1	164.2	0	0	0	112.4
38	R	26.8	Very low	28.2	Very low	232 Å²	232	147.3 Å²	147.3	88%	0.875	82%	0.82	S	S	*	*			trans	21.9	133	153.7	-57.6	167.9	-165	-155.7	0.4	119
39	G	24.8	Very low	28.3	Very low	69 Å²	69	143.3 Å²	143.3	71%	0.711	82%	0.816	S	S	*	*			cis	89.1	163.1	23.8	0	0	0	0	0	112.3
40	P	36.2	Very low	28.5	Very low	129 Å²	129	141.5 Å²	141.5	84%	0.838	82%	0.82	S	S	*	*			cis	-110	-139.4	-6.3	41.4	-25.2	0	0	0	109.5
41	S	25.6	Very low	28.6	Very low	100 Å²	100	143.8 Å²	143.8	70%	0.699	82%	0.822	S	S	*	*			cis	-167.4	142.2	-6.3	41.9	0	0	0	0	110.2
42	Q	28.7	Very low	28.7	Very low	182 Å²	182	140.3 Å²	140.3	85%	0.85	81%	0.811	S	S	*	*			trans	-171.7	148	137.9	-108.4	-176.6	32.5	0	0	111.8
43	T	26.3	Very low	28.8	Very low	125 Å²	125	147.2 Å²	147.2	77%	0.767	82%	0.817	S	S	*	*			trans	-125.2	127.6	-179.5	49.6	0	0	0	0	111.2
44	W	27.1	Very low	29.1	Very low	245 Å²	245	150.1 Å²	150.1	93%	0.928	82%	0.817	S	S	*	*			trans	-142.6	145.2	159.6	-82.7	100.9	0	0	0	110.6
45	Q	27.4	Very low	29.2	Very low	179 Å²	179	148.1 Å²	148.1	84%	0.836	81%	0.812	S	S	*	*			trans	-96.3	143.9	-176.4	-62.4	169.3	-32.7	0	0	111.1
46	T	27.9	Very low	29.5	Very low	147 Å²	147	147 Å²	147	90%	0.902	81%	0.808	S	S	*	*			trans	-175.6	145.3	136	15.4	0	0	0	0	111.6
47	H	28.2	Very low	30.1	Very low	186 Å²	186	147.8 Å²	147.8	86%	0.861	81%	0.808	S	S	*	*			trans	-91.9	176.9	162.8	-60.3	-80.7	0	0	0	109.4
48	P	41.6	Very low	30.7	Very low	122 Å²	122	143.9 Å²	143.9	79%	0.792	80%	0.797	S	S	*	*			cis	-128	164.6	-9.5	39.3	-25.3	0	0	0	114.2
49	A	29.3	Very low	31.3	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	79%	0.792	S	S	*	*			trans	-172.9	120.8	143.3	0	0	0	0	0	110.9	R51	A49-R51 PolarHBondContact O-N 3.17Å
50	G	33.8	Very low	32.3	Very low	86 Å²	86	143.4 Å²	143.4	89%	0.887	79%	0.79	S	S	*	*			trans	-75.8	88.9	169.1	0	0	0	0	0	110.9	C52	G50-C52 PolarHBondContact O-N 3.13Å; G50-C52 VanDerWaalsContact O-N 3.1Å
51	R	28.7	Very low	33	Very low	226 Å²	226	143 Å²	143	85%	0.853	78%	0.781	S	S	*	*			trans	-72.4	101.4	167.2	-75.6	-169.6	177.5	-168.8	-0.4	108.8	A49 Y53	A49-R51 PolarHBondContact O-N 3.17Å; R51-Y53 PolarHBondContact O-N 3.45Å; R51-Y53 VanDerWaalsContact O-N 3.13Å
52	C	27.4	Very low	34.9	Very low	109 Å²	109	147.7 Å²	147.7	74%	0.736	78%	0.784	S	S	*	*			trans	-55.1	116.9	163.6	179.9	0	0	0	0	108.1	G50 Q54	G50-C52 PolarHBondContact O-N 3.13Å; G50-C52 VanDerWaalsContact O-N 3.1Å; C52-Q54 VanDerWaalsContact C-N 3.32Å; C52-Q54 PolarHBondContact O-N 2.99Å
53	Y	27.5	Very low	37.5	Very low	215 Å²	215	142.7 Å²	142.7	84%	0.843	76%	0.763	S	S	*	*			trans	-68.3	98.7	163.5	-80.3	-93.1	0	0	0	106.8	R51 T55	R51-Y53 PolarHBondContact O-N 3.45Å; R51-Y53 VanDerWaalsContact O-N 3.13Å; Y53-T55 PolarHBondContact O-N 2.73Å
54	Q	31.2	Very low	40.5	Very low	179 Å²	179	137.9 Å²	137.9	84%	0.836	73%	0.732	S	S	*	*			trans	-60.8	96.8	159.7	-75.3	-177.2	-36.2	0	0	106.9	C52 S56	C52-Q54 VanDerWaalsContact C-N 3.32Å; C52-Q54 PolarHBondContact O-N 2.99Å; Q54-S56 VanDerWaalsContact C-N 3.26Å; Q54-S56 PolarHBondContact O-N 3.42Å
55	T	32.8	Very low	43.5	Very low	123 Å²	123	129.5 Å²	129.5	76%	0.755	71%	0.708	S	S	*	*			trans	-58.2	98.5	157.2	48	0	0	0	0	106.4	Y53 S57	Y53-T55 PolarHBondContact O-N 2.73Å; T55-S57 PolarHBondContact O-N 3.2Å
56	S	34.2	Very low	46.3	Very low	108 Å²	108	124 Å²	124	76%	0.755	69%	0.688	S	S	*	*			trans	-63.8	91.5	170.4	52.6	0	0	0	0	107.1	Q54 A58	Q54-S56 VanDerWaalsContact C-N 3.26Å; Q54-S56 PolarHBondContact O-N 3.42Å; S56-A58 PolarHBondContact O-N 2.75Å
57	S	39.2	Very low	49.2	Very low	104 Å²	104	121.4 Å²	121.4	73%	0.727	67%	0.673	S	S	*	*			trans	-73	53.2	176.2	60.4	0	0	0	0	110.2	T55 L59	T55-S57 PolarHBondContact O-N 3.2Å; S57-L59 PolarHBondContact O-N 2.73Å
58	A	39.9	Very low	52.3	Low	67 Å²	67	116.9 Å²	116.9	55%	0.554	65%	0.653	S	S	*	*			trans	-74.9	54.9	167.4	0	0	0	0	0	109.2	S56 H60	S56-A58 PolarHBondContact O-N 2.75Å; A58-H60 PolarHBondContact O-N 2.68Å; A58-H60 PolarHBondContact O-ND1 3.26Å
59	L	40.3	Very low	54.7	Low	146 Å²	146	111 Å²	111	76%	0.764	62%	0.615	S	S	*	*			trans	-52.3	100.3	148.6	-86.9	161	0	0	0	105.2	S57 N61	S57-L59 PolarHBondContact O-N 2.73Å; L59-N61 PolarHBondContact O-N 3.46Å
60	H	44.7	Very low	57.6	Low	145 Å²	145	108.9 Å²	108.9	67%	0.671	59%	0.591	S	S	*	*			trans	-68.7	94.4	170.4	-78.7	61.2	0	0	0	105.3	A58 Y62	A58-H60 PolarHBondContact O-N 2.68Å; A58-H60 PolarHBondContact O-ND1 3.26Å; H60-Y62 HydrophobicContact CB-CE2 4.42Å; H60-Y62 WeakPolarHBondContact O-CD2 3.4Å; H60-Y62 WeakPolarHBondContact O-CE2 3.38Å; H60-Y62 PolarHBondContact O-N 2.95Å
61	N	50.5	Low	60.5	Low	122 Å²	122	109 Å²	109	65%	0.652	58%	0.578	S	S	*	*			trans	-59.8	107.2	171.5	-75.3	-7.9	0	0	0	106.7	L59 I63	L59-N61 PolarHBondContact O-N 3.46Å; N61-I63 HydrophobicContact CB-CD1 4.01Å; N61-I63 HydrophobicContact CB-CG1 4.12Å; N61-I63 PolarHBondContact O-N 3.17Å
62	Y	65.2	Low	63.6	Low	197 Å²	197	101.3 Å²	101.3	77%	0.773	55%	0.553	S	S	*	*			trans	-72.5	49.9	175.4	-71.7	-90.2	0	0	0	111	H60 L64 S488	H60-Y62 HydrophobicContact CB-CE2 4.42Å; H60-Y62 WeakPolarHBondContact O-CD2 3.4Å; H60-Y62 WeakPolarHBondContact O-CE2 3.38Å; H60-Y62 PolarHBondContact O-N 2.95Å; Y62-L64 PolarHBondContact O-N 3.38Å; Y62-S488 PolarHBondContact O-OG 3.34Å
63	I	85.1	Confident	66.8	Low	78 Å²	78	96.1 Å²	96.1	40%	0.4	52%	0.519	S	S	.	.			trans	-85.6	104.3	171.5	-61.9	171	0	0	0	106.3	N61 T65 S484	N61-I63 HydrophobicContact CB-CD1 4.01Å; N61-I63 HydrophobicContact CB-CG1 4.12Å; N61-I63 PolarHBondContact O-N 3.17Å; I63-T65 PolarHBondContact O-N 3.14Å; I63-S484 VanDerWaalsContact CA-OG 3.3Å; I63-S484 WeakPolarHBondContact CA-OG 3.48Å
64	L	88.9	Confident	70.1	Confident	24 Å²	24	88.7 Å²	88.7	13%	0.126	49%	0.491	C	S	.	.			trans	-56	132.2	170.3	-63.4	166.6	0	0	0	109	Y62 Q68 V69 I72 H480 S484 L487 S488	Y62-L64 PolarHBondContact O-N 3.38Å; L64-Q68 HydrophobicContact CB-CB 4.14Å; L64-Q68 HydrophobicContact CD2-CB 4.06Å; L64-V69 HydrophobicContact CB-CG2 3.69Å; L64-V69 HydrophobicContact CD1-CG2 4.26Å; L64-I72 HydrophobicContact CD1-CD1 3.72Å; L64-I72 HydrophobicContact CD2-CD1 4.39Å; L64-H480 PolarHBondContact O-CE1 3.31Å; L64-H480 PolarHBondContact O-NE2 3.06Å; L64-S484 PolarHBondContact N-OG 2.87Å; L64-L487 HydrophobicContact CD1-CB 3.8Å; L64-S488 WeakPolarHBondContact CD1-OG 3.38Å; L64-S488 WeakPolarHBondContact CG-OG 3.36Å
65	T	88.9	Confident	73.2	Confident	69 Å²	69	82.7 Å²	82.7	42%	0.423	47%	0.472	S	S	.	.			trans	-66.4	155.4	171.4	61.5	0	0	0	0	110.4	I63 P67 Q68 V69	I63-T65 PolarHBondContact O-N 3.14Å; T65-P67 VanDerWaalsContact C-CD 3.47Å; T65-P67 VanDerWaalsContact C-N 3.29Å; T65-Q68 WeakPolarHBondContact O-CB 3.47Å; T65-Q68 PolarHBondContact O-N 3.48Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.42Å; T65-Q68 PolarHBondContact OG1-OE1 2.94Å; T65-V69 PolarHBondContact O-N 3.35Å
66	P	87.5	Confident	76.3	Confident	64 Å²	64	78.2 Å²	78.2	42%	0.416	44%	0.443	S	S	.	.	H	α-helix	trans	-51.6	-38.3	176.7	-25.9	33.7	0	0	0	114.7	Q68 V69 N70 F456	P66-Q68 PolarHBondContact O-N 3.24Å; P66-V69 PolarHBondContact O-N 2.92Å; P66-N70 WeakPolarHBondContact O-CB 3.47Å; P66-N70 PolarHBondContact O-N 3.03Å; P66-N70 PolarHBondContact O-ND2 2.57Å; P66-N70 PolarHBondContact O-OD1 2.61Å; P66-F456 HydrophobicContact CB-CE1 4.41Å
67	P	89	Confident	79.3	Confident	91 Å²	91	75.3 Å²	75.3	59%	0.591	42%	0.417	S	S	*	.	H	α-helix	trans	-62.6	-36.5	171.8	-25.7	36.8	0	0	0	114.5	T65 N70 S71	T65-P67 VanDerWaalsContact C-CD 3.47Å; T65-P67 VanDerWaalsContact C-N 3.29Å; P67-N70 PolarHBondContact O-N 3.1Å; P67-S71 WeakPolarHBondContact O-CB 3.14Å; P67-S71 PolarHBondContact O-N 2.9Å
68	Q	91.6	Very high	82.1	Confident	91 Å²	91	72.5 Å²	72.5	43%	0.425	39%	0.391	S	S	.	.	H	α-helix	trans	-70.1	-44.8	176.7	-70.4	166.8	-72	0	0	111.4	L64 T65 P66 N70 S71 I72	L64-Q68 HydrophobicContact CB-CB 4.14Å; L64-Q68 HydrophobicContact CD2-CB 4.06Å; T65-Q68 WeakPolarHBondContact O-CB 3.47Å; T65-Q68 PolarHBondContact O-N 3.48Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.42Å; T65-Q68 PolarHBondContact OG1-OE1 2.94Å; P66-Q68 PolarHBondContact O-N 3.24Å; Q68-N70 VanDerWaalsContact C-N 3.28Å; Q68-N70 PolarHBondContact O-N 2.68Å; Q68-S71 PolarHBondContact O-N 3.08Å; Q68-S71 VanDerWaalsContact O-N 3.14Å; Q68-I72 WeakPolarHBondContact O-CG1 3.47Å; Q68-I72 PolarHBondContact O-N 3.06Å
69	V	92.4	Very high	84.9	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-55.4	-45.4	172.5	164.6	0	0	0	0	110.8	L64 T65 P66 I72 L73 L483 L487	L64-V69 HydrophobicContact CB-CG2 3.69Å; L64-V69 HydrophobicContact CD1-CG2 4.26Å; T65-V69 PolarHBondContact O-N 3.35Å; P66-V69 PolarHBondContact O-N 2.92Å; V69-I72 PolarHBondContact O-N 2.91Å; V69-L73 HydrophobicContact CG1-CD1 3.94Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 2.83Å; V69-L483 HydrophobicContact CG1-CD2 3.51Å; V69-L483 HydrophobicContact CG1-CG 3.8Å; V69-L487 HydrophobicContact CB-CD1 4.43Å; V69-L487 HydrophobicContact CG1-CD1 3.91Å; V69-L487 HydrophobicContact CG2-CD1 4.37Å
70	N	91.1	Very high	87.6	Confident	43 Å²	43	66.8 Å²	66.8	23%	0.23	36%	0.355	C	S	.	.	H	α-helix	trans	-64.7	-39.9	176.6	-68.9	-7.2	0	0	0	112.3	P66 P67 Q68 I72 K74 F456 R467	P66-N70 WeakPolarHBondContact O-CB 3.47Å; P66-N70 PolarHBondContact O-N 3.03Å; P66-N70 PolarHBondContact O-ND2 2.57Å; P66-N70 PolarHBondContact O-OD1 2.61Å; P67-N70 PolarHBondContact O-N 3.1Å; Q68-N70 VanDerWaalsContact C-N 3.28Å; Q68-N70 PolarHBondContact O-N 2.68Å; N70-I72 VanDerWaalsContact C-N 3.31Å; N70-I72 PolarHBondContact O-N 2.91Å; N70-K74 VanDerWaalsContact O-CB 3.24Å; N70-K74 WeakPolarHBondContact O-CB 3.38Å; N70-K74 VanDerWaalsContact O-CG 3.28Å; N70-K74 WeakPolarHBondContact O-CG 3.39Å; N70-K74 PolarHBondContact O-N 2.69Å; N70-F456 WeakPolarHBondContact OD1-CD1 3.21Å; N70-R467 VanDerWaalsContact OD1-CZ 3.32Å; N70-R467 PolarHBondContact OD1-NH1 3.39Å; N70-R467 PolarHBondContact OD1-NH2 3.01Å
71	S	93.3	Very high	90.1	Very high	88 Å²	88	67.8 Å²	67.8	62%	0.615	36%	0.357	S	S	*	.	H	α-helix	trans	-67.1	-30	177.8	-167	0	0	0	0	113.3	P67 Q68	P67-S71 WeakPolarHBondContact O-CB 3.14Å; P67-S71 PolarHBondContact O-N 2.9Å; Q68-S71 PolarHBondContact O-N 3.08Å; Q68-S71 VanDerWaalsContact O-N 3.14Å
72	I	94.9	Very high	92.1	Very high	64 Å²	64	63.2 Å²	63.2	33%	0.328	33%	0.334	S	S	.	.	H	α-helix	trans	-74.8	-53.2	174.4	-66.2	163.7	0	0	0	110	L64 Q68 V69 N70 K74 A75 L101 L487	L64-I72 HydrophobicContact CD1-CD1 3.72Å; L64-I72 HydrophobicContact CD2-CD1 4.39Å; Q68-I72 WeakPolarHBondContact O-CG1 3.47Å; Q68-I72 PolarHBondContact O-N 3.06Å; V69-I72 PolarHBondContact O-N 2.91Å; N70-I72 VanDerWaalsContact C-N 3.31Å; N70-I72 PolarHBondContact O-N 2.91Å; I72-K74 PolarHBondContact O-N 3.1Å; I72-A75 VanDerWaalsContact O-CB 3.26Å; I72-A75 WeakPolarHBondContact O-CB 3.37Å; I72-A75 PolarHBondContact O-N 3.34Å; I72-A75 VanDerWaalsContact O-N 3.12Å; I72-L101 HydrophobicContact CG2-CD1 4.41Å; I72-L487 HydrophobicContact CD1-CB 4.34Å; I72-L487 HydrophobicContact CG2-CD1 4.43Å; I72-L487 HydrophobicContact CG2-CD2 4.02Å
73	L	95	Very high	93.2	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-30.7	-179.6	-69.8	172.5	0	0	0	112.7	V69 N99 T463 M466 R467 L483 L487	V69-L73 HydrophobicContact CG1-CD1 3.94Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 2.83Å; L73-N99 PolarHBondContact O-ND2 3.44Å; L73-T463 HydrophobicContact CB-CG2 4.14Å; L73-M466 HydrophobicContact CD2-CG 4.04Å; L73-M466 HydrophobicContact CD2-SD 4.06Å; L73-R467 HydrophobicContact CD1-CB 4.07Å; L73-R467 HydrophobicContact CD1-CG 4.05Å; L73-L483 HydrophobicContact CD1-CD1 4.32Å; L73-L483 HydrophobicContact CD1-CD2 4.22Å; L73-L487 HydrophobicContact CD1-CD1 4.3Å; L73-L487 HydrophobicContact CD2-CD1 4.1Å; L73-L487 HydrophobicContact CD2-CD2 4.28Å; L73-L487 HydrophobicContact CG-CD1 3.91Å
74	K	95.7	Very high	93.1	Very high	59 Å²	59	61.2 Å²	61.2	26%	0.257	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	1.1	178.2	-64	-165	168.3	-137.3	0	114.9	N70 I72 N76 E77 E457 T463	N70-K74 VanDerWaalsContact O-CB 3.24Å; N70-K74 WeakPolarHBondContact O-CB 3.38Å; N70-K74 VanDerWaalsContact O-CG 3.28Å; N70-K74 WeakPolarHBondContact O-CG 3.39Å; N70-K74 PolarHBondContact O-N 2.69Å; I72-K74 PolarHBondContact O-N 3.1Å; K74-N76 PolarHBondContact O-N 2.99Å; K74-E77 HydrophobicContact CB-CB 4.19Å; K74-E77 WeakPolarHBondContact CD-OE1 3.46Å; K74-E77 WeakPolarHBondContact CE-OE1 3.16Å; K74-E77 VanDerWaalsContact CE-OE2 3.3Å; K74-E77 WeakPolarHBondContact CE-OE2 3.38Å; K74-E77 HydrophobicContact CG-CB 4.48Å; K74-E77 WeakPolarHBondContact CG-OE2 3.34Å; K74-E77 IonicContact NZ-OE1 2.66Å; K74-E77 PolarHBondContact NZ-OE1 3.36Å; K74-E77 IonicContact NZ-OE2 3.17Å; K74-E77 PolarHBondContact NZ-OE2 3.35Å; K74-E77 WeakPolarHBondContact O-CB 3.41Å; K74-E77 PolarHBondContact O-N 3.15Å; K74-E457 PolarHBondContact NZ-O 3.49Å; K74-T463 HydrophobicContact CG-CG2 4.15Å
75	A	96.3	Very high	92.5	Very high	53 Å²	53	66.8 Å²	66.8	44%	0.438	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.9	-176.5	0	0	0	0	0	114.5	I72 N181	I72-A75 VanDerWaalsContact O-CB 3.26Å; I72-A75 WeakPolarHBondContact O-CB 3.37Å; I72-A75 PolarHBondContact O-N 3.34Å; I72-A75 VanDerWaalsContact O-N 3.12Å; A75-N181 PolarHBondContact O-ND2 3.14Å
76	N	97.8	Very high	91.6	Very high	28 Å²	28	70.6 Å²	70.6	15%	0.15	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	15.3	176.7	-65.9	-50.8	0	0	0	112.9	K74 Y78 N99 Q100 R111 N181	K74-N76 PolarHBondContact O-N 2.99Å; N76-Y78 PolarHBondContact O-N 3.18Å; N76-N99 VanDerWaalsContact C-OD1 3.28Å; N76-N99 WeakPolarHBondContact CB-OD1 3.44Å; N76-N99 PolarHBondContact O-OD1 2.87Å; N76-Q100 HydrophobicContact CB-CB 4.27Å; N76-Q100 WeakPolarHBondContact CB-O 3.38Å; N76-Q100 PolarHBondContact ND2-O 2.74Å; N76-R111 PolarHBondContact O-NH1 3.3Å; N76-R111 PolarHBondContact O-NH2 3.26Å; N76-N181 PolarHBondContact OD1-ND2 3.35Å
77	E	97.9	Very high	90.7	Very high	47 Å²	47	70.4 Å²	70.4	22%	0.22	39%	0.39	C	S	.	.			trans	-63.6	120	-179	175.8	165.1	104.8	0	0	110.8	K74 N460 T463	K74-E77 HydrophobicContact CB-CB 4.19Å; K74-E77 WeakPolarHBondContact CD-OE1 3.46Å; K74-E77 WeakPolarHBondContact CE-OE1 3.16Å; K74-E77 VanDerWaalsContact CE-OE2 3.3Å; K74-E77 WeakPolarHBondContact CE-OE2 3.38Å; K74-E77 HydrophobicContact CG-CB 4.48Å; K74-E77 WeakPolarHBondContact CG-OE2 3.34Å; K74-E77 IonicContact NZ-OE1 2.66Å; K74-E77 PolarHBondContact NZ-OE1 3.36Å; K74-E77 IonicContact NZ-OE2 3.17Å; K74-E77 PolarHBondContact NZ-OE2 3.35Å; K74-E77 WeakPolarHBondContact O-CB 3.41Å; K74-E77 PolarHBondContact O-N 3.15Å; E77-N460 HydrophobicContact CG-CB 3.7Å; E77-N460 WeakPolarHBondContact OE2-CB 3.48Å; E77-T463 VanDerWaalsContact OE2-CB 3.23Å; E77-T463 WeakPolarHBondContact OE2-CB 3.48Å; E77-T463 WeakPolarHBondContact OE2-CG2 3.42Å; E77-T463 PolarHBondContact OE2-OG1 2.79Å
78	Y	98.6	Very high	89.8	Confident	45 Å²	45	73.3 Å²	73.3	18%	0.176	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.4	-179.9	-173.7	-100.5	0	0	0	111	N76 F80 F96 E97 S98 H177 K178 H179 N460	N76-Y78 PolarHBondContact O-N 3.18Å; Y78-F80 HydrophobicContact CE1-CB 4.03Å; Y78-F96 AromaticContact CD1-CE2 3.91Å; Y78-F96 HydrophobicContact CD1-CE2 3.91Å; Y78-F96 HydrophobicContact CD1-CZ 4.39Å; Y78-F96 AromaticContact CE1-CE2 3.82Å; Y78-F96 HydrophobicContact CE1-CE2 3.82Å; Y78-F96 AromaticContact CE1-CZ 3.82Å; Y78-F96 HydrophobicContact CE1-CZ 3.82Å; Y78-E97 CarbonylContact O-C 3.44Å; Y78-E97 WeakPolarHBondContact O-CA 3.22Å; Y78-S98 PolarHBondContact N-O 3.24Å; Y78-S98 PolarHBondContact O-N 2.86Å; Y78-H177 HydrophobicContact CE1-CB 4.43Å; Y78-H177 WeakPolarHBondContact CE1-O 3.3Å; Y78-H177 WeakPolarHBondContact OH-CA 3.47Å; Y78-K178 VanDerWaalsContact CE2-O 3.29Å; Y78-K178 WeakPolarHBondContact CE2-O 3.5Å; Y78-H179 HydrophobicContact CD2-CB 3.74Å; Y78-H179 AromaticContact CD2-CD2 3.97Å; Y78-H179 HydrophobicContact CE2-CB 4.45Å; Y78-H179 HydrophobicContact CG-CB 4.01Å; Y78-N460 PolarHBondContact O-ND2 3.05Å
79	S	98.1	Very high	89	Confident	57 Å²	57	70.5 Å²	70.5	40%	0.399	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.4	173.1	-60.9	0	0	0	0	109.7	E97 N460	S79-E97 PolarHBondContact OG-OE1 2.8Å; S79-N460 PolarHBondContact OG-ND2 2.81Å
80	F	97.8	Very high	88.6	Confident	36 Å²	36	75.2 Å²	75.2	16%	0.158	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.2	173.3	172.9	-97.4	0	0	0	109.8	Y78 V82 G95 F96 M122 H177	Y78-F80 HydrophobicContact CE1-CB 4.03Å; F80-V82 HydrophobicContact CE1-CG2 3.9Å; F80-G95 CarbonylContact O-C 3.51Å; F80-G95 WeakPolarHBondContact O-CA 3.38Å; F80-F96 HydrophobicContact CB-CD1 3.98Å; F80-F96 HydrophobicContact CB-CE1 3.51Å; F80-F96 HydrophobicContact CB-CE2 4.17Å; F80-F96 HydrophobicContact CB-CG 4.48Å; F80-F96 HydrophobicContact CB-CZ 3.6Å; F80-F96 AromaticContact CD1-CD1 3.69Å; F80-F96 HydrophobicContact CD1-CD1 3.69Å; F80-F96 AromaticContact CD1-CE1 3.4Å; F80-F96 HydrophobicContact CD1-CE1 3.4Å; F80-F96 HydrophobicContact CD1-CZ 4.31Å; F80-F96 HydrophobicContact CE1-CE1 4.32Å; F80-F96 HydrophobicContact CG-CD1 4.23Å; F80-F96 AromaticContact CG-CE1 3.66Å; F80-F96 HydrophobicContact CG-CE1 3.66Å; F80-F96 HydrophobicContact CG-CZ 4.13Å; F80-F96 PolarHBondContact N-O 2.84Å; F80-F96 PolarHBondContact O-N 3.48Å; F80-M122 HydrophobicContact CE1-CE 4.14Å; F80-H177 HydrophobicContact CD2-CB 4.27Å; F80-H177 AromaticContact CD2-CG 3.95Å; F80-H177 AromaticContact CD2-ND1 3.77Å; F80-H177 AromaticContact CE2-CE1 3.5Å; F80-H177 VanDerWaalsContact CE2-CE1 3.5Å; F80-H177 WeakPolarHBondContact CE2-CE1 3.27Å; F80-H177 AromaticContact CE2-CG 3.91Å; F80-H177 AromaticContact CE2-ND1 3.38Å; F80-H177 WeakPolarHBondContact CE2-ND1 3.34Å; F80-H177 HydrophobicContact CG-CB 4.39Å; F80-H177 AromaticContact CZ-CE1 3.48Å; F80-H177 VanDerWaalsContact CZ-CE1 3.48Å; F80-H177 WeakPolarHBondContact CZ-CE1 3.24Å; F80-H177 AromaticContact CZ-ND1 3.81Å; F80-H177 AromaticContact CZ-NE2 3.67Å
81	K	96.1	Very high	88.7	Confident	167 Å²	167	74.7 Å²	74.7	73%	0.726	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	134.8	174.3	-65.6	-173.5	178.8	-176.8	0	109.1
82	V	93.4	Very high	88.7	Confident	25 Å²	25	70.7 Å²	70.7	15%	0.152	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-68	127.9	176.5	177.9	0	0	0	0	108.4	F80 V93 M94 M122	F80-V82 HydrophobicContact CE1-CG2 3.9Å; V82-V93 WeakPolarHBondContact CB-O 3.16Å; V82-V93 HydrophobicContact CG2-CB 4.35Å; V82-V93 HydrophobicContact CG2-CG1 4.15Å; V82-V93 VanDerWaalsContact CG2-O 3.24Å; V82-V93 WeakPolarHBondContact CG2-O 3.45Å; V82-M94 PolarHBondContact N-O 3Å; V82-M122 HydrophobicContact CG2-CE 3.73Å
83	P	87.5	Confident	88.8	Confident	102 Å²	102	67.7 Å²	67.7	66%	0.662	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-59.5	141.2	177.8	-25.3	35.1	0	0	0	112.6
84	E	84.4	Confident	88.8	Confident	131 Å²	131	71 Å²	71	61%	0.612	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-79	140.7	169.9	-63.9	-178.9	176.6	0	0	110.4	K88 N89	E84-K88 WeakPolarHBondContact CA-O 3.21Å; E84-N89 HydrophobicContact CG-CB 4.19Å
85	F	74.8	Confident	88.9	Confident	142 Å²	142	68.4 Å²	68.4	62%	0.623	37%	0.372	S	S	*	.	B	Isolated β-bridge	trans	-107.6	126.9	174.6	-161.2	-82.9	0	0	0	108.8	G87 K88	F85-G87 PolarHBondContact O-N 2.91Å; F85-G87 VanDerWaalsContact O-N 3.09Å; F85-K88 PolarHBondContact N-O 3.14Å; F85-K88 PolarHBondContact O-N 3.09Å; F85-K88 VanDerWaalsContact O-O 3.09Å
86	D	70.8	Confident	89	Confident	149 Å²	149	66 Å²	66	80%	0.797	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	35.8	-172.7	-65.4	-28.2	0	0	0	114.6	K88	D86-K88 VanDerWaalsContact C-N 3.34Å
87	G	68	Low	89	Confident	60 Å²	60	66.1 Å²	66.1	62%	0.619	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	23	-178.5	0	0	0	0	0	114.4	F85	F85-G87 PolarHBondContact O-N 2.91Å; F85-G87 VanDerWaalsContact O-N 3.09Å
88	K	71.1	Confident	89.1	Confident	151 Å²	151	64 Å²	64	66%	0.657	34%	0.342	S	S	*	.	B	Isolated β-bridge	trans	-128.8	134.4	172.2	-64.6	179.7	-179.3	177	0	110.2	E84 F85 D86 V90	E84-K88 WeakPolarHBondContact CA-O 3.21Å; F85-K88 PolarHBondContact N-O 3.14Å; F85-K88 PolarHBondContact O-N 3.09Å; F85-K88 VanDerWaalsContact O-O 3.09Å; D86-K88 VanDerWaalsContact C-N 3.34Å; K88-V90 HydrophobicContact CB-CG1 4.43Å; K88-V90 PolarHBondContact O-N 3.15Å
89	N	74.4	Confident	89.1	Confident	33 Å²	33	61.9 Å²	61.9	18%	0.176	33%	0.334	C	S	.	.			trans	-80.4	110.4	164.1	-167.4	-31.2	0	0	0	109	E84 S91 N509 V512	E84-N89 HydrophobicContact CG-CB 4.19Å; N89-S91 WeakPolarHBondContact OD1-CB 3.17Å; N89-S91 PolarHBondContact OD1-N 3.09Å; N89-S91 PolarHBondContact OD1-O 2.88Å; N89-N509 PolarHBondContact O-ND2 2.79Å; N89-V512 WeakPolarHBondContact O-CG2 3.18Å
90	V	84.4	Confident	89.1	Confident	99 Å²	99	59.7 Å²	59.7	60%	0.6	32%	0.317	S	S	*	.			trans	-94.8	-1.4	179.1	-62.6	0	0	0	0	113.3	K88 V512	K88-V90 HydrophobicContact CB-CG1 4.43Å; K88-V90 PolarHBondContact O-N 3.15Å; V90-V512 WeakPolarHBondContact O-CG1 3.36Å
91	S	91.8	Very high	89.1	Confident	32 Å²	32	58.4 Å²	58.4	22%	0.224	31%	0.312	C	S	.	.	S	Bend	trans	-89.6	147	178.3	-177.5	0	0	0	0	111.4	N89 V93 N509	N89-S91 WeakPolarHBondContact OD1-CB 3.17Å; N89-S91 PolarHBondContact OD1-N 3.09Å; N89-S91 PolarHBondContact OD1-O 2.88Å; S91-V93 WeakPolarHBondContact CB-O 3.49Å; S91-V93 PolarHBondContact O-N 2.98Å; S91-V93 PolarHBondContact OG-N 3.23Å; S91-V93 PolarHBondContact OG-O 3.07Å; S91-N509 WeakPolarHBondContact O-CB 3.41Å; S91-N509 PolarHBondContact O-ND2 2.75Å
92	S	94.5	Very high	89.2	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.021	29%	0.293	C	S	.	.	S	Bend	trans	-68.1	-16.8	166.8	56.5	0	0	0	0	112.7	G264 F508 N509	S92-G264 WeakPolarHBondContact CB-O 3.1Å; S92-G264 WeakPolarHBondContact OG-CA 3.14Å; S92-G264 PolarHBondContact OG-O 2.82Å; S92-F508 CarbonylContact O-C 3.52Å; S92-F508 VanDerWaalsContact O-CA 3.3Å; S92-F508 WeakPolarHBondContact O-CA 3.32Å; S92-N509 PolarHBondContact O-N 2.8Å
93	V	96.6	Very high	89.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.9	174.6	178	0	0	0	0	109.4	V82 S91 M122 I262 T506 F508	V82-V93 WeakPolarHBondContact CB-O 3.16Å; V82-V93 HydrophobicContact CG2-CB 4.35Å; V82-V93 HydrophobicContact CG2-CG1 4.15Å; V82-V93 VanDerWaalsContact CG2-O 3.24Å; V82-V93 WeakPolarHBondContact CG2-O 3.45Å; S91-V93 WeakPolarHBondContact CB-O 3.49Å; S91-V93 PolarHBondContact O-N 2.98Å; S91-V93 PolarHBondContact OG-N 3.23Å; S91-V93 PolarHBondContact OG-O 3.07Å; V93-M122 HydrophobicContact CB-CE 4.44Å; V93-M122 HydrophobicContact CG1-CE 4.16Å; V93-M122 HydrophobicContact CG1-SD 4.07Å; V93-I262 HydrophobicContact CG2-CB 4.45Å; V93-I262 HydrophobicContact CG2-CD1 3.99Å; V93-I262 HydrophobicContact CG2-CG2 3.83Å; V93-T506 HydrophobicContact CG1-CG2 3.75Å; V93-T506 HydrophobicContact CG2-CG2 4.26Å; V93-F508 HydrophobicContact CG2-CD1 4.23Å; V93-F508 HydrophobicContact CG2-CE1 4.22Å
94	M	95.4	Very high	89.6	Confident	70 Å²	70	48.3 Å²	48.3	35%	0.345	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-35.1	172.6	-64.8	-176.3	63.2	0	0	111.7	V82 Q507 N509	V82-M94 PolarHBondContact N-O 3Å; M94-Q507 HydrophobicContact CB-CB 4.39Å; M94-Q507 HydrophobicContact CB-CG 4.31Å; M94-Q507 PolarHBondContact N-O 2.94Å; M94-Q507 HydrophobicContact SD-CG 4.1Å; M94-N509 HydrophobicContact CG-CB 3.72Å
95	G	96.8	Very high	89.9	Confident	6 Å²	6	44.9 Å²	44.9	6%	0.062	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-177.4	-176.1	0	0	0	0	0	110.8	F80 Q507	F80-G95 CarbonylContact O-C 3.51Å; F80-G95 WeakPolarHBondContact O-CA 3.38Å; G95-Q507 PolarHBondContact O-N 2.9Å
96	F	98.6	Very high	90.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	159.3	172	71.3	-94.3	0	0	0	111.2	Y78 F80 A113 M122 L124 H177 I504 V505 T506	Y78-F96 AromaticContact CD1-CE2 3.91Å; Y78-F96 HydrophobicContact CD1-CE2 3.91Å; Y78-F96 HydrophobicContact CD1-CZ 4.39Å; Y78-F96 AromaticContact CE1-CE2 3.82Å; Y78-F96 HydrophobicContact CE1-CE2 3.82Å; Y78-F96 AromaticContact CE1-CZ 3.82Å; Y78-F96 HydrophobicContact CE1-CZ 3.82Å; F80-F96 HydrophobicContact CB-CD1 3.98Å; F80-F96 HydrophobicContact CB-CE1 3.51Å; F80-F96 HydrophobicContact CB-CE2 4.17Å; F80-F96 HydrophobicContact CB-CG 4.48Å; F80-F96 HydrophobicContact CB-CZ 3.6Å; F80-F96 AromaticContact CD1-CD1 3.69Å; F80-F96 HydrophobicContact CD1-CD1 3.69Å; F80-F96 AromaticContact CD1-CE1 3.4Å; F80-F96 HydrophobicContact CD1-CE1 3.4Å; F80-F96 HydrophobicContact CD1-CZ 4.31Å; F80-F96 HydrophobicContact CE1-CE1 4.32Å; F80-F96 HydrophobicContact CG-CD1 4.23Å; F80-F96 AromaticContact CG-CE1 3.66Å; F80-F96 HydrophobicContact CG-CE1 3.66Å; F80-F96 HydrophobicContact CG-CZ 4.13Å; F80-F96 PolarHBondContact N-O 2.84Å; F80-F96 PolarHBondContact O-N 3.48Å; F96-A113 HydrophobicContact CD1-CB 4.44Å; F96-A113 HydrophobicContact CE1-CB 3.6Å; F96-A113 HydrophobicContact CE2-CB 3.73Å; F96-A113 HydrophobicContact CZ-CB 3.2Å; F96-M122 HydrophobicContact CD1-SD 4.28Å; F96-L124 HydrophobicContact CB-CD2 3.7Å; F96-L124 HydrophobicContact CD1-CD2 3.48Å; F96-L124 VanDerWaalsContact CD1-CD2 3.48Å; F96-L124 HydrophobicContact CD2-CD2 3.98Å; F96-L124 HydrophobicContact CE1-CD2 4.09Å; F96-L124 HydrophobicContact CG-CD2 3.43Å; F96-L124 VanDerWaalsContact CG-CD2 3.43Å; F96-H177 HydrophobicContact CE1-CB 4.01Å; F96-H177 HydrophobicContact CZ-CB 3.67Å; F96-I504 HydrophobicContact CB-CG2 4.36Å; F96-I504 HydrophobicContact CD2-CG2 4.11Å; F96-V505 CarbonylContact C-O 3.22Å; F96-V505 WeakPolarHBondContact CA-O 3.39Å; F96-V505 WeakPolarHBondContact CB-O 3.34Å; F96-T506 HydrophobicContact CB-CG2 4.31Å
97	E	98.8	Very high	92.2	Very high	30 Å²	30	36.9 Å²	36.9	14%	0.14	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.6	-176.6	-58.2	-158.4	116.9	0	0	108.8	Y78 S79 S461 I504 V505	Y78-E97 CarbonylContact O-C 3.44Å; Y78-E97 WeakPolarHBondContact O-CA 3.22Å; S79-E97 PolarHBondContact OG-OE1 2.8Å; E97-S461 WeakPolarHBondContact OE2-CB 3.37Å; E97-S461 PolarHBondContact OE2-N 2.82Å; E97-S461 PolarHBondContact OE2-OG 3.25Å; E97-I504 CarbonylContact O-C 3.53Å; E97-I504 WeakPolarHBondContact O-CA 3.29Å; E97-V505 PolarHBondContact N-O 2.88Å; E97-V505 PolarHBondContact O-N 3.12Å
98	S	98.8	Very high	93.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	155.7	-177.9	71.9	0	0	0	0	113	Y78 R111 I503	Y78-S98 PolarHBondContact N-O 3.24Å; Y78-S98 PolarHBondContact O-N 2.86Å; S98-R111 PolarHBondContact O-NH1 3.04Å; S98-R111 WeakPolarHBondContact OG-CD 3.41Å; S98-R111 PolarHBondContact OG-NH1 2.85Å; S98-I503 WeakPolarHBondContact CA-O 3.31Å; S98-I503 WeakPolarHBondContact CB-O 3.43Å
99	N	98.8	Very high	94.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158.6	176.6	-156.5	-18.4	0	0	0	110.5	L73 N76 A462 T463 M466 I503	L73-N99 PolarHBondContact O-ND2 3.44Å; N76-N99 VanDerWaalsContact C-OD1 3.28Å; N76-N99 WeakPolarHBondContact CB-OD1 3.44Å; N76-N99 PolarHBondContact O-OD1 2.87Å; N99-A462 HydrophobicContact CB-CB 4.1Å; N99-T463 PolarHBondContact ND2-OG1 3.46Å; N99-M466 HydrophobicContact CB-CE 3.78Å; N99-M466 HydrophobicContact CB-SD 4.36Å; N99-I503 PolarHBondContact N-O 2.85Å; N99-I503 VanDerWaalsContact N-O 3.13Å; N99-I503 PolarHBondContact O-N 3.48Å; N99-I503 VanDerWaalsContact O-N 3.1Å
100	Q	98.6	Very high	96.1	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.056	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.8	174.7	-62.1	-162.6	-89.3	0	0	111.2	N76 I107 D109 R111 I501 T502	N76-Q100 HydrophobicContact CB-CB 4.27Å; N76-Q100 WeakPolarHBondContact CB-O 3.38Å; N76-Q100 PolarHBondContact ND2-O 2.74Å; Q100-I107 HydrophobicContact CB-CD1 3.98Å; Q100-D109 PolarHBondContact NE2-O 2.97Å; Q100-D109 VanDerWaalsContact NE2-O 3.11Å; Q100-R111 HydrophobicContact CG-CG 4.2Å; Q100-I501 CarbonylContact C-O 3.5Å; Q100-I501 VanDerWaalsContact CA-O 3.3Å; Q100-I501 WeakPolarHBondContact CA-O 3.5Å; Q100-T502 HydrophobicContact CG-CG2 3.91Å; Q100-T502 WeakPolarHBondContact CG-OG1 3.28Å; Q100-T502 PolarHBondContact NE2-OG1 3.42Å
101	L	97.8	Very high	96.8	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.042	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.6	171.2	176.5	71.2	0	0	0	109.9	I72 M466 V470 L487 I501	I72-L101 HydrophobicContact CG2-CD1 4.41Å; L101-M466 HydrophobicContact CB-CE 3.77Å; L101-M466 HydrophobicContact CB-CG 4.3Å; L101-M466 HydrophobicContact CB-SD 3.65Å; L101-M466 HydrophobicContact CD2-CG 4.47Å; L101-V470 HydrophobicContact CD2-CG2 3.52Å; L101-L487 HydrophobicContact CD1-CD2 3.73Å; L101-L487 HydrophobicContact CD2-CD2 3.89Å; L101-L487 HydrophobicContact CG-CD2 4.48Å; L101-I501 HydrophobicContact CB-CB 4.45Å; L101-I501 PolarHBondContact N-O 2.88Å; L101-I501 PolarHBondContact O-N 3.36Å
102	P	97.4	Very high	97.1	Very high	51 Å²	51	21.7 Å²	21.7	33%	0.331	13%	0.129	S	C	.	.			trans	-72.8	144.2	177.2	27.2	-34.3	0	0	0	113.5	N104 I107 R498 D500	P102-N104 WeakPolarHBondContact CB-O 3.45Å; P102-I107 HydrophobicContact CB-CB 4.11Å; P102-I107 HydrophobicContact CB-CD1 4.22Å; P102-I107 HydrophobicContact CB-CG1 4.12Å; P102-R498 PolarHBondContact O-NE 3.08Å; P102-R498 PolarHBondContact O-NH2 2.76Å; P102-D500 WeakPolarHBondContact CA-OD1 3.4Å
103	A	96	Very high	97.3	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	13%	0.129	C	C	.	.	S	Bend	trans	-107.8	-27.7	150.8	0	0	0	0	0	111.8	A494 R498 D499 D500	A103-A494 HydrophobicContact CB-CB 4.41Å; A103-R498 HydrophobicContact CB-CG 3.84Å; A103-R498 WeakPolarHBondContact CB-O 3.45Å; A103-D499 WeakPolarHBondContact CB-O 3.5Å; A103-D500 PolarHBondContact N-OD1 3.28Å
104	N	93.6	Very high	97.4	Very high	28 Å²	28	21.6 Å²	21.6	15%	0.15	13%	0.128	C	C	.	.	S	Bend	trans	-94.5	153.4	176.7	-56.5	-65.8	0	0	0	111.8	P102 P106 I107 E108 R495 D500	P102-N104 WeakPolarHBondContact CB-O 3.45Å; N104-P106 CarbonylContact C-O 3.59Å; N104-P106 WeakPolarHBondContact CB-O 3.32Å; N104-P106 CarbonylContact O-C 3.5Å; N104-I107 PolarHBondContact O-N 2.85Å; N104-E108 HydrophobicContact CB-CG 3.83Å; N104-R495 PolarHBondContact ND2-NE 2.82Å; N104-R495 WeakPolarHBondContact OD1-CD 3.47Å; N104-R495 WeakPolarHBondContact OD1-CG 2.97Å; N104-R495 PolarHBondContact OD1-NE 3.27Å; N104-D500 PolarHBondContact N-OD1 3.44Å; N104-D500 PolarHBondContact ND2-OD1 3.04Å; N104-D500 PolarHBondContact ND2-OD2 2.99Å
105	A	91.3	Very high	97.6	Very high	60 Å²	60	19.8 Å²	19.8	50%	0.496	12%	0.121	S	C	.	.	S	Bend	trans	-131.5	104.3	175.9	0	0	0	0	0	110.3	E491	A105-E491 HydrophobicContact CB-CB 3.93Å; A105-E491 HydrophobicContact CB-CG 3.92Å; A105-E491 WeakPolarHBondContact CB-OE2 3.49Å
106	P	95.4	Very high	97.6	Very high	89 Å²	89	19.8 Å²	19.8	58%	0.578	12%	0.12	S	C	*	.	S	Bend	cis	-66.7	159	-2.9	31.8	-37.4	0	0	0	112.8	N104 E108	N104-P106 CarbonylContact C-O 3.59Å; N104-P106 WeakPolarHBondContact CB-O 3.32Å; N104-P106 CarbonylContact O-C 3.5Å; P106-E108 PolarHBondContact O-N 2.78Å
107	I	97.8	Very high	97.5	Very high	34 Å²	34	23.1 Å²	23.1	17%	0.174	14%	0.137	C	C	.	.			trans	-56.2	131.9	169.3	-162.7	176.3	0	0	0	109.8	Q100 P102 N104 D109 R110 C133 D500	Q100-I107 HydrophobicContact CB-CD1 3.98Å; P102-I107 HydrophobicContact CB-CB 4.11Å; P102-I107 HydrophobicContact CB-CD1 4.22Å; P102-I107 HydrophobicContact CB-CG1 4.12Å; N104-I107 PolarHBondContact O-N 2.85Å; I107-D109 HydrophobicContact CG1-CB 4.26Å; I107-R110 PolarHBondContact O-NH1 3.1Å; I107-C133 WeakPolarHBondContact O-CB 3.37Å; I107-D500 HydrophobicContact CG1-CB 4.09Å; I107-D500 VanDerWaalsContact CG1-CG 3.45Å; I107-D500 WeakPolarHBondContact CG1-OD2 3.07Å
108	E	98.4	Very high	97.3	Very high	32 Å²	32	25 Å²	25	15%	0.15	15%	0.146	C	C	.	.			trans	-85.3	-44.4	-179.4	-48.9	-138	96.3	0	0	110.1	N104 P106 R110 G129 H130 A131 G132 C133 A136 D500	N104-E108 HydrophobicContact CB-CG 3.83Å; P106-E108 PolarHBondContact O-N 2.78Å; E108-R110 PolarHBondContact O-NH1 3.17Å; E108-R110 VanDerWaalsContact O-NH1 3.16Å; E108-G129 WeakPolarHBondContact CB-O 3.3Å; E108-H130 WeakPolarHBondContact OE2-CA 3.18Å; E108-A131 PolarHBondContact OE2-N 2.72Å; E108-G132 VanDerWaalsContact OE1-C 3.27Å; E108-G132 WeakPolarHBondContact OE1-CA 3.34Å; E108-G132 PolarHBondContact OE1-N 3.48Å; E108-C133 PolarHBondContact OE1-N 3.46Å; E108-A136 WeakPolarHBondContact O-CB 3.41Å; E108-D500 PolarHBondContact N-OD2 2.91Å
109	D	98.8	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.157	C	C	.	.			trans	-59.6	148.3	178.7	-166.2	1.8	0	0	0	114.3	Q100 I107 S400 D500 T502	Q100-D109 PolarHBondContact NE2-O 2.97Å; Q100-D109 VanDerWaalsContact NE2-O 3.11Å; I107-D109 HydrophobicContact CG1-CB 4.26Å; D109-S400 WeakPolarHBondContact OD2-CB 3.4Å; D109-S400 PolarHBondContact OD2-OG 3.11Å; D109-D500 HydrophobicContact CB-CB 3.52Å; D109-D500 PolarHBondContact N-OD2 2.94Å; D109-T502 WeakPolarHBondContact OD1-CB 3.38Å; D109-T502 PolarHBondContact OD1-OG1 2.68Å; D109-T502 WeakPolarHBondContact OD2-CB 3.46Å; D109-T502 PolarHBondContact OD2-N 2.76Å; D109-T502 VanDerWaalsContact OD2-N 3.12Å; D109-T502 PolarHBondContact OD2-OG1 3.45Å
110	R	98.9	Very high	96.6	Very high	16 Å²	16	35.7 Å²	35.7	6%	0.06	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.1	-177.9	-69.3	-66.1	-178.3	-76.2	3	112.7	I107 E108 V126 F127 A136 Y183	I107-R110 PolarHBondContact O-NH1 3.1Å; E108-R110 PolarHBondContact O-NH1 3.17Å; E108-R110 VanDerWaalsContact O-NH1 3.16Å; R110-V126 CarbonylContact O-C 3.35Å; R110-V126 WeakPolarHBondContact O-CA 3.04Å; R110-F127 HydrophobicContact CB-CB 4.25Å; R110-F127 HydrophobicContact CB-CD2 4.2Å; R110-F127 PolarHBondContact N-O 3.37Å; R110-F127 PolarHBondContact O-N 2.92Å; R110-A136 HydrophobicContact CB-CB 4.36Å; R110-A136 HydrophobicContact CG-CB 3.91Å; R110-Y183 PolarHBondContact NH2-OH 3.05Å
111	R	98.8	Very high	96.4	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	160.1	164.4	56.6	173.9	177	-153.7	-20.5	111.2	N76 S98 Q100 G125 H179 D182 T502 I504	N76-R111 PolarHBondContact O-NH1 3.3Å; N76-R111 PolarHBondContact O-NH2 3.26Å; S98-R111 PolarHBondContact O-NH1 3.04Å; S98-R111 WeakPolarHBondContact OG-CD 3.41Å; S98-R111 PolarHBondContact OG-NH1 2.85Å; Q100-R111 HydrophobicContact CG-CG 4.2Å; R111-G125 CarbonylContact C-O 3.47Å; R111-G125 WeakPolarHBondContact CA-O 3.17Å; R111-H179 VanDerWaalsContact NH2-CG 3.33Å; R111-H179 PolarHBondContact NH2-ND1 2.89Å; R111-D182 IonicContact CZ-OD1 3.51Å; R111-D182 IonicContact CZ-OD2 2.76Å; R111-D182 IonicContact NE-OD1 3.81Å; R111-D182 PolarHBondContact NE-OD1 2.99Å; R111-D182 IonicContact NE-OD2 3.68Å; R111-D182 PolarHBondContact NE-OD2 3.25Å; R111-D182 VanDerWaalsContact NE-OD2 3.09Å; R111-D182 IonicContact NH2-OD1 3.4Å; R111-D182 PolarHBondContact NH2-OD1 3.42Å; R111-D182 IonicContact NH2-OD2 3.82Å; R111-T502 HydrophobicContact CB-CG2 3.75Å; R111-I504 HydrophobicContact CB-CD1 4.18Å; R111-I504 HydrophobicContact CB-CG1 4.42Å
112	S	98.9	Very high	96.5	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	158.7	153.2	-85.5	0	0	0	0	113.3	L124 G125 S140 K178	S112-L124 WeakPolarHBondContact O-CA 3.41Å; S112-G125 PolarHBondContact N-O 3.33Å; S112-G125 PolarHBondContact O-N 2.93Å; S112-S140 PolarHBondContact OG-O 2.8Å; S112-S140 VanDerWaalsContact OG-O 3.04Å; S112-K178 PolarHBondContact OG-NZ 3.09Å
113	A	98.9	Very high	96.5	Very high	2 Å²	2	33 Å²	33	2%	0.017	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.5	172.4	0	0	0	0	0	110.5	F96 L123 L124 H177	F96-A113 HydrophobicContact CD1-CB 4.44Å; F96-A113 HydrophobicContact CE1-CB 3.6Å; F96-A113 HydrophobicContact CE2-CB 3.73Å; F96-A113 HydrophobicContact CZ-CB 3.2Å; A113-L123 CarbonylContact C-O 3.57Å; A113-L123 VanDerWaalsContact CA-O 3.27Å; A113-L123 WeakPolarHBondContact CA-O 3.42Å; A113-L124 HydrophobicContact CB-CD2 4.09Å; A113-L124 HydrophobicContact CB-CG 4.16Å; A113-H177 HydrophobicContact CB-CB 4.27Å; A113-H177 PolarHBondContact O-N 2.73Å
114	A	98.8	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155.2	175.9	0	0	0	0	0	111.6	M122 L123 F144 L174 Q175 W176	A114-M122 WeakPolarHBondContact O-CG 3.37Å; A114-L123 PolarHBondContact N-O 2.97Å; A114-L123 PolarHBondContact O-N 2.78Å; A114-F144 HydrophobicContact CB-CD2 3.89Å; A114-F144 HydrophobicContact CB-CE2 4.44Å; A114-L174 HydrophobicContact CB-CB 4.38Å; A114-L174 HydrophobicContact CB-CD1 4.37Å; A114-L174 HydrophobicContact CB-CD2 4.17Å; A114-Q175 CarbonylContact C-O 3.59Å; A114-Q175 WeakPolarHBondContact CA-O 3.29Å; A114-Q175 WeakPolarHBondContact CB-O 3.2Å; A114-W176 HydrophobicContact CB-CD2 4.19Å; A114-W176 HydrophobicContact CB-CE3 4.18Å; A114-W176 HydrophobicContact CB-CG 4.5Å
115	T	98.4	Very high	96.9	Very high	32 Å²	32	31.5 Å²	31.5	20%	0.196	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.9	167.3	-60.5	0	0	0	0	108.8	L174 Q175 H177	T115-L174 WeakPolarHBondContact O-CA 3.42Å; T115-Q175 PolarHBondContact N-O 3.15Å; T115-Q175 PolarHBondContact O-N 3.26Å; T115-H177 PolarHBondContact OG1-NE2 2.84Å
116	C	97.7	Very high	97.3	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.041	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.1	172.1	-59.1	0	0	0	0	109.8	T119 G121	C116-T119 CarbonylContact C-O 3.43Å; C116-T119 VanDerWaalsContact C-O 3.22Å; C116-T119 VanDerWaalsContact CB-O 3.27Å; C116-T119 WeakPolarHBondContact CB-O 3.47Å; C116-T119 WeakPolarHBondContact CB-OG1 3.36Å; C116-T119 VanDerWaalsContact O-O 3.05Å; C116-G121 WeakPolarHBondContact CB-O 3.23Å; C116-G121 PolarHBondContact N-O 3.04Å; C116-G121 PolarHBondContact SG-O 3.41Å; C116-G121 VanDerWaalsContact SG-O 3.36Å
117	L	96.7	Very high	97.5	Very high	71 Å²	71	24.4 Å²	24.4	37%	0.372	11%	0.114	S	C	.	.	S	Bend	trans	-115.4	-16.5	-176.1	-67.2	175.1	0	0	0	113.2	P172 I173 Q175	L117-P172 VanDerWaalsContact CB-O 3.24Å; L117-P172 WeakPolarHBondContact CB-O 3.43Å; L117-P172 HydrophobicContact CD1-CB 3.74Å; L117-P172 HydrophobicContact CD1-CG 3.9Å; L117-I173 PolarHBondContact N-O 2.82Å; L117-Q175 HydrophobicContact CD1-CB 4.07Å; L117-Q175 HydrophobicContact CD2-CB 4.06Å; L117-Q175 HydrophobicContact CG-CB 4.19Å
118	Q	94.5	Very high	97.5	Very high	70 Å²	70	23.3 Å²	23.3	33%	0.327	11%	0.109	S	C	.	.	S	Bend	trans	-102.9	-17.6	171.9	-53	-52.6	-53.6	0	0	112.1	L152 T156 P172	Q118-L152 HydrophobicContact CB-CD2 3.53Å; Q118-L152 HydrophobicContact CG-CD2 4.23Å; Q118-T156 HydrophobicContact CB-CG2 4.42Å; Q118-T156 HydrophobicContact CG-CG2 4.47Å; Q118-P172 PolarHBondContact NE2-O 2.62Å
119	T	93.3	Very high	97.5	Very high	38 Å²	38	21.9 Å²	21.9	23%	0.233	10%	0.103	C	C	.	.	S	Bend	trans	-127.1	168	168.5	68.3	0	0	0	0	108.7	C116 L151 L152	C116-T119 CarbonylContact C-O 3.43Å; C116-T119 VanDerWaalsContact C-O 3.22Å; C116-T119 VanDerWaalsContact CB-O 3.27Å; C116-T119 WeakPolarHBondContact CB-O 3.47Å; C116-T119 WeakPolarHBondContact CB-OG1 3.36Å; C116-T119 VanDerWaalsContact O-O 3.05Å; T119-L151 HydrophobicContact CG2-CB 4.31Å; T119-L151 WeakPolarHBondContact CG2-O 3.33Å; T119-L152 HydrophobicContact CG2-CD2 4.34Å
120	R	89.7	Confident	97.5	Very high	190 Å²	190	23.6 Å²	23.6	72%	0.717	11%	0.111	S	C	*	.	S	Bend	trans	-79.9	-13.3	-174.1	-61.4	-175.2	-53.1	-153.7	-3.8	114.9	D263	R120-D263 WeakPolarHBondContact CB-OD1 3.46Å; R120-D263 IonicContact CZ-OD1 3.74Å; R120-D263 IonicContact CZ-OD2 2.82Å; R120-D263 IonicContact NE-OD1 2.72Å; R120-D263 PolarHBondContact NE-OD1 2.92Å; R120-D263 IonicContact NE-OD2 3.78Å; R120-D263 PolarHBondContact NE-OD2 2.96Å; R120-D263 VanDerWaalsContact NE-OD2 3.15Å; R120-D263 VanDerWaalsContact NH2-CG 3.3Å; R120-D263 IonicContact NH2-OD1 2.72Å; R120-D263 PolarHBondContact NH2-OD1 3.36Å; R120-D263 IonicContact NH2-OD2 2.68Å; R120-D263 PolarHBondContact NH2-OD2 3.01Å
121	G	94.3	Very high	97.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.01	14%	0.141	C	C	.	.			trans	-70.1	149	-163.9	0	0	0	0	0	115.3	C116 I262	C116-G121 WeakPolarHBondContact CB-O 3.23Å; C116-G121 PolarHBondContact N-O 3.04Å; C116-G121 PolarHBondContact SG-O 3.41Å; C116-G121 VanDerWaalsContact SG-O 3.36Å; G121-I262 CarbonylContact C-O 3.53Å; G121-I262 VanDerWaalsContact CA-O 3.3Å; G121-I262 WeakPolarHBondContact CA-O 3.47Å
122	M	98.4	Very high	97.1	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.059	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.2	164.5	-168.6	179.1	-68.4	0	0	110.1	F80 V82 V93 F96 A114 L124 H261 I262	F80-M122 HydrophobicContact CE1-CE 4.14Å; V82-M122 HydrophobicContact CG2-CE 3.73Å; V93-M122 HydrophobicContact CB-CE 4.44Å; V93-M122 HydrophobicContact CG1-CE 4.16Å; V93-M122 HydrophobicContact CG1-SD 4.07Å; F96-M122 HydrophobicContact CD1-SD 4.28Å; A114-M122 WeakPolarHBondContact O-CG 3.37Å; M122-L124 HydrophobicContact CG-CD1 3.84Å; M122-L124 HydrophobicContact CG-CG 4.32Å; M122-L124 HydrophobicContact SD-CD1 3.91Å; M122-L124 HydrophobicContact SD-CD2 4.39Å; M122-L124 HydrophobicContact SD-CG 4.34Å; M122-H261 WeakPolarHBondContact O-CA 3.33Å; M122-I262 PolarHBondContact N-O 3.04Å; M122-I262 PolarHBondContact O-N 3.46Å
123	L	98.9	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.7	174.8	-71.4	167.8	0	0	0	109.5	A113 A114 F144 I147 L174 V259 A260 H261	A113-L123 CarbonylContact C-O 3.57Å; A113-L123 VanDerWaalsContact CA-O 3.27Å; A113-L123 WeakPolarHBondContact CA-O 3.42Å; A114-L123 PolarHBondContact N-O 2.97Å; A114-L123 PolarHBondContact O-N 2.78Å; L123-F144 HydrophobicContact CB-CD1 4.03Å; L123-F144 HydrophobicContact CB-CD2 3.88Å; L123-F144 HydrophobicContact CB-CE1 4.13Å; L123-F144 HydrophobicContact CB-CE2 3.96Å; L123-F144 HydrophobicContact CB-CG 3.92Å; L123-F144 HydrophobicContact CB-CZ 4.1Å; L123-F144 HydrophobicContact CD1-CB 3.79Å; L123-F144 HydrophobicContact CD1-CD1 4.21Å; L123-F144 HydrophobicContact CD1-CG 3.96Å; L123-I147 HydrophobicContact CD1-CB 4.23Å; L123-I147 HydrophobicContact CD1-CG2 4.09Å; L123-I147 HydrophobicContact CD2-CD1 4.26Å; L123-I147 HydrophobicContact CD2-CG2 3.87Å; L123-L174 HydrophobicContact CD1-CD2 4.46Å; L123-V259 HydrophobicContact CD2-CG1 4.16Å; L123-A260 WeakPolarHBondContact CA-O 3.39Å; L123-H261 HydrophobicContact CD2-CB 3.79Å
124	L	98.9	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.4	171.5	-49.8	97.8	0	0	0	109.2	F96 S112 A113 M122 V259 A260 I262 I398 I504 T506	F96-L124 HydrophobicContact CB-CD2 3.7Å; F96-L124 HydrophobicContact CD1-CD2 3.48Å; F96-L124 VanDerWaalsContact CD1-CD2 3.48Å; F96-L124 HydrophobicContact CD2-CD2 3.98Å; F96-L124 HydrophobicContact CE1-CD2 4.09Å; F96-L124 HydrophobicContact CG-CD2 3.43Å; F96-L124 VanDerWaalsContact CG-CD2 3.43Å; S112-L124 WeakPolarHBondContact O-CA 3.41Å; A113-L124 HydrophobicContact CB-CD2 4.09Å; A113-L124 HydrophobicContact CB-CG 4.16Å; M122-L124 HydrophobicContact CG-CD1 3.84Å; M122-L124 HydrophobicContact CG-CG 4.32Å; M122-L124 HydrophobicContact SD-CD1 3.91Å; M122-L124 HydrophobicContact SD-CD2 4.39Å; M122-L124 HydrophobicContact SD-CG 4.34Å; L124-V259 CarbonylContact O-C 3.54Å; L124-V259 WeakPolarHBondContact O-CA 3.33Å; L124-A260 PolarHBondContact N-O 3.34Å; L124-A260 PolarHBondContact O-N 2.95Å; L124-I262 HydrophobicContact CD1-CD1 3.77Å; L124-I398 HydrophobicContact CB-CD1 4.49Å; L124-I504 HydrophobicContact CB-CD1 4.42Å; L124-I504 HydrophobicContact CB-CG2 4.48Å; L124-I504 HydrophobicContact CD2-CG2 3.85Å; L124-T506 HydrophobicContact CD1-CG2 4.41Å; L124-T506 HydrophobicContact CD2-CG2 4.49Å
125	G	98.8	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	153	-176.5	0	0	0	0	0	115	R111 S112 C258 I504	R111-G125 CarbonylContact C-O 3.47Å; R111-G125 WeakPolarHBondContact CA-O 3.17Å; S112-G125 PolarHBondContact N-O 3.33Å; S112-G125 PolarHBondContact O-N 2.93Å; G125-C258 WeakPolarHBondContact CA-O 3.22Å; G125-I504 WeakPolarHBondContact O-CD1 3.38Å
126	V	98.9	Very high	97	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.1	174.3	-179.2	0	0	0	0	108.2	R110 C258 I398 T502 I504	R110-V126 CarbonylContact O-C 3.35Å; R110-V126 WeakPolarHBondContact O-CA 3.04Å; V126-C258 PolarHBondContact N-O 3.42Å; V126-C258 PolarHBondContact O-N 3.46Å; V126-I398 HydrophobicContact CB-CG2 4.05Å; V126-I398 HydrophobicContact CG2-CB 4.18Å; V126-I398 HydrophobicContact CG2-CG2 3.76Å; V126-T502 HydrophobicContact CB-CG2 4.44Å; V126-T502 HydrophobicContact CG1-CG2 3.72Å; V126-T502 HydrophobicContact CG2-CG2 3.96Å; V126-I504 HydrophobicContact CG2-CD1 3.9Å; V126-I504 HydrophobicContact CG2-CG1 3.91Å
127	F	98.9	Very high	97.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	97.2	-175.5	-44.7	-91.3	0	0	0	107.7	R110 A136 L139 L143 F144 T256 A257 V259	R110-F127 HydrophobicContact CB-CB 4.25Å; R110-F127 HydrophobicContact CB-CD2 4.2Å; R110-F127 PolarHBondContact N-O 3.37Å; R110-F127 PolarHBondContact O-N 2.92Å; F127-A136 HydrophobicContact CB-CB 4.27Å; F127-L139 HydrophobicContact CD1-CB 3.63Å; F127-L139 HydrophobicContact CD1-CD1 3.82Å; F127-L139 HydrophobicContact CD1-CG 4.42Å; F127-L139 HydrophobicContact CE1-CB 3.96Å; F127-L139 HydrophobicContact CG-CB 4.17Å; F127-L143 HydrophobicContact CE1-CD2 3.97Å; F127-F144 AromaticContact CZ-CE1 3.97Å; F127-F144 HydrophobicContact CZ-CE1 3.97Å; F127-F144 HydrophobicContact CZ-CZ 4.32Å; F127-T256 VanDerWaalsContact CA-O 3.29Å; F127-T256 WeakPolarHBondContact CA-O 3.44Å; F127-T256 WeakPolarHBondContact CB-O 3.2Å; F127-A257 HydrophobicContact CD1-CB 3.66Å; F127-A257 HydrophobicContact CE1-CB 3.94Å; F127-V259 HydrophobicContact CE1-CG2 4.04Å; F127-V259 HydrophobicContact CZ-CG2 4.24Å
128	D	98.8	Very high	97.2	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.059	12%	0.122	C	C	.	.			trans	-70.2	136.2	175.2	-143.9	-37.7	0	0	0	108.7	A255 T256 S400 D401	D128-A255 CarbonylContact O-C 3.58Å; D128-A255 WeakPolarHBondContact O-CA 3.4Å; D128-A255 WeakPolarHBondContact O-CB 3.35Å; D128-T256 WeakPolarHBondContact CA-OG1 3.37Å; D128-T256 HydrophobicContact CB-CG2 4.02Å; D128-T256 WeakPolarHBondContact CB-OG1 3.32Å; D128-T256 PolarHBondContact N-OG1 2.96Å; D128-T256 PolarHBondContact O-N 3.46Å; D128-S400 WeakPolarHBondContact OD2-CB 3.49Å; D128-D401 PolarHBondContact OD2-N 2.81Å
129	G	98.6	Very high	97.4	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.031	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.6	-170.4	0	0	0	0	0	111.5	E108	E108-G129 WeakPolarHBondContact CB-O 3.3Å
130	H	97.6	Very high	97.7	Very high	36 Å²	36	17.5 Å²	17.5	17%	0.167	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.5	178.4	56.5	-102.2	0	0	0	113.6	E108 G132 S253 G254 L330 D338	E108-H130 WeakPolarHBondContact OE2-CA 3.18Å; H130-G132 PolarHBondContact O-N 2.88Å; H130-S253 WeakPolarHBondContact O-CB 3.4Å; H130-G254 PolarHBondContact N-O 3.4Å; H130-G254 WeakPolarHBondContact NE2-CA 3.5Å; H130-G254 PolarHBondContact O-N 2.91Å; H130-L330 WeakPolarHBondContact NE2-CD1 3.32Å; H130-D338 IonicContact CD2-OD2 2.96Å; H130-D338 IonicContact CE1-OD2 3.77Å; H130-D338 IonicContact NE2-OD1 2.89Å; H130-D338 IonicContact NE2-OD2 3.78Å; H130-D338 PolarHBondContact NE2-OD2 3.41Å
131	A	95.2	Very high	98.1	Very high	84 Å²	84	8.8 Å²	8.8	69%	0.694	6%	0.063	S	C	*	.	S	Bend	trans	59.8	32.3	-173.9	0	0	0	0	0	113.5	E108 S253	E108-A131 PolarHBondContact OE2-N 2.72Å; A131-S253 WeakPolarHBondContact O-CB 3.12Å
132	G	95.2	Very high	98.3	Very high	18 Å²	18	9 Å²	9	19%	0.186	6%	0.063	C	C	.	.	S	Bend	trans	118.1	130.1	-179.5	0	0	0	0	0	111.9	E108 H130 A134 S253	E108-G132 VanDerWaalsContact OE1-C 3.27Å; E108-G132 WeakPolarHBondContact OE1-CA 3.34Å; E108-G132 PolarHBondContact OE1-N 3.48Å; H130-G132 PolarHBondContact O-N 2.88Å; G132-A134 PolarHBondContact O-N 2.96Å; G132-S253 WeakPolarHBondContact O-CB 3.47Å; G132-S253 PolarHBondContact O-OG 2.79Å
133	C	97.4	Very high	98.3	Very high	10 Å²	10	8.4 Å²	8.4	7%	0.068	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	5.3	176.7	70.8	0	0	0	0	117.6	I107 E108 Q137	I107-C133 WeakPolarHBondContact O-CB 3.37Å; E108-C133 PolarHBondContact OE1-N 3.46Å; C133-Q137 WeakPolarHBondContact O-CB 3.06Å; C133-Q137 PolarHBondContact O-N 2.73Å
134	A	98.3	Very high	98.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-74.8	-45	-170.7	0	0	0	0	0	112.8	G132 Q137 A138 W246 R249 V250	G132-A134 PolarHBondContact O-N 2.96Å; A134-Q137 PolarHBondContact O-N 2.87Å; A134-A138 PolarHBondContact O-N 2.89Å; A134-W246 HydrophobicContact CB-CH2 4.19Å; A134-W246 HydrophobicContact CB-CZ3 4.21Å; A134-R249 HydrophobicContact CB-CB 3.9Å; A134-V250 HydrophobicContact CB-CG2 4.21Å
135	C	98.8	Very high	98.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.9	-54.3	177	-160.7	0	0	0	0	110.9	Q137 A138 L139 V250 S253 A255	C135-Q137 VanDerWaalsContact C-N 3.3Å; C135-Q137 PolarHBondContact O-N 2.95Å; C135-A138 WeakPolarHBondContact O-CB 3.34Å; C135-A138 PolarHBondContact O-N 3.19Å; C135-L139 WeakPolarHBondContact O-CG 3.21Å; C135-L139 PolarHBondContact O-N 3.27Å; C135-V250 WeakPolarHBondContact CB-O 3.18Å; C135-V250 PolarHBondContact SG-O 3.36Å; C135-V250 VanDerWaalsContact SG-O 3.35Å; C135-S253 WeakPolarHBondContact CB-OG 3.49Å; C135-S253 PolarHBondContact N-OG 3.13Å; C135-A255 HydrophobicContact CB-CB 3.93Å
136	A	98.8	Very high	98.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.1	-40.6	178.6	0	0	0	0	0	112.7	E108 R110 F127 L139 S140 A255	E108-A136 WeakPolarHBondContact O-CB 3.41Å; R110-A136 HydrophobicContact CB-CB 4.36Å; R110-A136 HydrophobicContact CG-CB 3.91Å; F127-A136 HydrophobicContact CB-CB 4.27Å; A136-L139 PolarHBondContact O-N 3.22Å; A136-S140 WeakPolarHBondContact O-CB 3.14Å; A136-S140 PolarHBondContact O-N 2.87Å; A136-A255 HydrophobicContact CB-CB 3.8Å
137	Q	98.9	Very high	98.3	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-58.1	-51.2	172.5	175.2	57.5	42.4	0	0	111.4	C133 A134 C135 L139 S140 E141 Y183 W246	C133-Q137 WeakPolarHBondContact O-CB 3.06Å; C133-Q137 PolarHBondContact O-N 2.73Å; A134-Q137 PolarHBondContact O-N 2.87Å; C135-Q137 VanDerWaalsContact C-N 3.3Å; C135-Q137 PolarHBondContact O-N 2.95Å; Q137-L139 PolarHBondContact O-N 3.31Å; Q137-S140 PolarHBondContact O-N 2.88Å; Q137-S140 PolarHBondContact O-OG 2.89Å; Q137-E141 PolarHBondContact NE2-OE1 3.37Å; Q137-E141 PolarHBondContact O-N 2.91Å; Q137-Y183 HydrophobicContact CG-CE2 3.84Å; Q137-Y183 PolarHBondContact NE2-O 3.4Å; Q137-Y183 PolarHBondContact OE1-OH 2.9Å; Q137-W246 HydrophobicContact CB-CH2 4.36Å; Q137-W246 HydrophobicContact CG-CH2 4.08Å; Q137-W246 HydrophobicContact CG-CZ2 4.3Å
138	A	98.9	Very high	98.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62	-40.2	-179.9	0	0	0	0	0	112.4	A134 C135 E141 R142 V250	A134-A138 PolarHBondContact O-N 2.89Å; C135-A138 WeakPolarHBondContact O-CB 3.34Å; C135-A138 PolarHBondContact O-N 3.19Å; A138-E141 PolarHBondContact O-N 3.27Å; A138-R142 WeakPolarHBondContact O-CB 3.44Å; A138-R142 VanDerWaalsContact O-CG 3.23Å; A138-R142 WeakPolarHBondContact O-CG 3.25Å; A138-R142 PolarHBondContact O-N 3.42Å; A138-V250 HydrophobicContact CB-CB 4.46Å; A138-V250 HydrophobicContact CB-CG1 3.57Å; A138-V250 HydrophobicContact CB-CG2 3.93Å
139	L	98.8	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.5	-47.2	173.4	-59.7	-168.5	0	0	0	111.6	F127 C135 A136 Q137 E141 R142 L143 L226 I230 A255 A257 F336	F127-L139 HydrophobicContact CD1-CB 3.63Å; F127-L139 HydrophobicContact CD1-CD1 3.82Å; F127-L139 HydrophobicContact CD1-CG 4.42Å; F127-L139 HydrophobicContact CE1-CB 3.96Å; F127-L139 HydrophobicContact CG-CB 4.17Å; C135-L139 WeakPolarHBondContact O-CG 3.21Å; C135-L139 PolarHBondContact O-N 3.27Å; A136-L139 PolarHBondContact O-N 3.22Å; Q137-L139 PolarHBondContact O-N 3.31Å; L139-E141 PolarHBondContact O-N 2.79Å; L139-E141 VanDerWaalsContact O-N 3.08Å; L139-R142 PolarHBondContact O-N 2.9Å; L139-R142 VanDerWaalsContact O-N 3.17Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 PolarHBondContact O-N 3.38Å; L139-L226 HydrophobicContact CD2-CD2 3.71Å; L139-L226 HydrophobicContact CD2-CG 4.35Å; L139-I230 HydrophobicContact CD2-CD1 4.05Å; L139-A255 HydrophobicContact CD1-CB 3.73Å; L139-A255 HydrophobicContact CG-CB 4.41Å; L139-A257 HydrophobicContact CD1-CB 4.25Å; L139-F336 HydrophobicContact CD1-CB 3.84Å; L139-F336 HydrophobicContact CD1-CD1 4.45Å; L139-F336 HydrophobicContact CD1-CD2 3.44Å; L139-F336 VanDerWaalsContact CD1-CD2 3.44Å; L139-F336 HydrophobicContact CD1-CE2 4.05Å; L139-F336 HydrophobicContact CD1-CG 3.67Å; L139-F336 HydrophobicContact CD2-CB 3.78Å; L139-F336 HydrophobicContact CD2-CD1 3.46Å; L139-F336 VanDerWaalsContact CD2-CD1 3.46Å; L139-F336 HydrophobicContact CD2-CD2 4.01Å; L139-F336 HydrophobicContact CD2-CE1 3.94Å; L139-F336 HydrophobicContact CD2-CE2 4.44Å; L139-F336 HydrophobicContact CD2-CG 3.48Å; L139-F336 VanDerWaalsContact CD2-CG 3.48Å; L139-F336 HydrophobicContact CD2-CZ 4.39Å; L139-F336 HydrophobicContact CG-CB 4.27Å; L139-F336 HydrophobicContact CG-CD2 4.37Å; L139-F336 HydrophobicContact CG-CG 4.18Å
140	S	98.8	Very high	98.3	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.014	7%	0.074	C	C	.	.	H	α-helix	trans	-62.2	-18.2	-175.6	81.2	0	0	0	0	114.4	S112 A136 Q137 W176	S112-S140 PolarHBondContact OG-O 2.8Å; S112-S140 VanDerWaalsContact OG-O 3.04Å; A136-S140 WeakPolarHBondContact O-CB 3.14Å; A136-S140 PolarHBondContact O-N 2.87Å; Q137-S140 PolarHBondContact O-N 2.88Å; Q137-S140 PolarHBondContact O-OG 2.89Å; S140-W176 VanDerWaalsContact O-CH2 3.3Å; S140-W176 WeakPolarHBondContact O-CH2 3.36Å; S140-W176 WeakPolarHBondContact O-CZ3 3.38Å
141	E	98.6	Very high	98.3	Very high	7 Å²	7	10.7 Å²	10.7	3%	0.033	7%	0.069	C	C	.	.	H	α-helix	trans	-111.9	-15.9	175.1	66.2	-174	120.1	0	0	114.8	Q137 A138 L139 Y145 F184 T185 Y192	Q137-E141 PolarHBondContact NE2-OE1 3.37Å; Q137-E141 PolarHBondContact O-N 2.91Å; A138-E141 PolarHBondContact O-N 3.27Å; L139-E141 PolarHBondContact O-N 2.79Å; L139-E141 VanDerWaalsContact O-N 3.08Å; E141-Y145 WeakPolarHBondContact O-CD2 3.4Å; E141-F184 HydrophobicContact CB-CD1 3.61Å; E141-F184 HydrophobicContact CB-CE1 3.9Å; E141-F184 VanDerWaalsContact OE2-CA 3.22Å; E141-F184 WeakPolarHBondContact OE2-CA 3.3Å; E141-T185 VanDerWaalsContact CD-N 3.32Å; E141-T185 VanDerWaalsContact OE1-CB 3.27Å; E141-T185 WeakPolarHBondContact OE1-CB 3.45Å; E141-T185 PolarHBondContact OE1-N 3.49Å; E141-T185 PolarHBondContact OE1-OG1 3.44Å; E141-T185 PolarHBondContact OE2-N 3.04Å; E141-Y192 HydrophobicContact CG-CE2 4.01Å
142	R	98.9	Very high	98.4	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.015	4%	0.038	C	C	.	.	H	α-helix	trans	-104.1	-47.3	-179.1	-64.6	176	70.9	166.5	0.2	114.3	A138 L139 F144 Y145 Y146 Y192 L226 E233	A138-R142 WeakPolarHBondContact O-CB 3.44Å; A138-R142 VanDerWaalsContact O-CG 3.23Å; A138-R142 WeakPolarHBondContact O-CG 3.25Å; A138-R142 PolarHBondContact O-N 3.42Å; L139-R142 PolarHBondContact O-N 2.9Å; L139-R142 VanDerWaalsContact O-N 3.17Å; R142-F144 VanDerWaalsContact C-N 3.26Å; R142-F144 PolarHBondContact O-N 3.39Å; R142-F144 VanDerWaalsContact O-N 3.11Å; R142-Y145 WeakPolarHBondContact O-CA 3.38Å; R142-Y145 WeakPolarHBondContact O-CB 3.43Å; R142-Y145 PolarHBondContact O-N 3.09Å; R142-Y146 HydrophobicContact CB-CD2 4.37Å; R142-Y146 HydrophobicContact CB-CE2 4.25Å; R142-Y146 PolarHBondContact NH2-OH 3.46Å; R142-Y146 WeakPolarHBondContact O-CD2 3.37Å; R142-Y146 PolarHBondContact O-N 2.81Å; R142-Y192 HydrophobicContact CG-CD1 4.39Å; R142-Y192 HydrophobicContact CG-CD2 3.73Å; R142-Y192 HydrophobicContact CG-CE2 4Å; R142-Y192 HydrophobicContact CG-CG 3.93Å; R142-Y192 VanDerWaalsContact NH1-CD1 3.27Å; R142-Y192 VanDerWaalsContact NH1-CE1 3.31Å; R142-L226 HydrophobicContact CB-CD1 3.9Å; R142-L226 HydrophobicContact CB-CD2 3.91Å; R142-L226 VanDerWaalsContact CZ-CD1 3.47Å; R142-E233 IonicContact CZ-OE1 3.45Å; R142-E233 IonicContact CZ-OE2 3.66Å; R142-E233 IonicContact NH1-OE1 3.56Å; R142-E233 PolarHBondContact NH1-OE1 2.96Å; R142-E233 IonicContact NH1-OE2 3.62Å; R142-E233 PolarHBondContact NH1-OE2 3.33Å; R142-E233 IonicContact NH2-OE1 2.69Å; R142-E233 PolarHBondContact NH2-OE1 2.94Å; R142-E233 IonicContact NH2-OE2 3.25Å
143	L	98.9	Very high	98.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.6	-36.1	-162.1	-175.3	59.1	0	0	0	113	F127 L139 Y145 Y146 I147 F223 L226 A257 V259 F336	F127-L143 HydrophobicContact CE1-CD2 3.97Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 PolarHBondContact O-N 3.38Å; L143-Y145 VanDerWaalsContact C-N 3.32Å; L143-Y145 PolarHBondContact O-N 3.43Å; L143-Y146 PolarHBondContact O-N 2.75Å; L143-I147 HydrophobicContact CD1-CD1 4.44Å; L143-I147 HydrophobicContact CD1-CG1 4.44Å; L143-I147 HydrophobicContact CG-CD1 3.96Å; L143-I147 HydrophobicContact CG-CG1 4.42Å; L143-I147 WeakPolarHBondContact O-CG1 3.17Å; L143-I147 PolarHBondContact O-N 3.47Å; L143-F223 HydrophobicContact CD1-CD2 3.86Å; L143-F223 HydrophobicContact CD1-CE2 4.33Å; L143-F223 HydrophobicContact CD1-CG 4.2Å; L143-F223 HydrophobicContact CD2-CD1 4.4Å; L143-F223 HydrophobicContact CD2-CD2 4.03Å; L143-F223 HydrophobicContact CD2-CE1 4.15Å; L143-F223 HydrophobicContact CD2-CE2 3.76Å; L143-F223 HydrophobicContact CD2-CG 4.36Å; L143-F223 HydrophobicContact CD2-CZ 3.82Å; L143-F223 HydrophobicContact CG-CD2 4.36Å; L143-F223 HydrophobicContact CG-CE2 4.33Å; L143-L226 HydrophobicContact CB-CD2 3.69Å; L143-L226 HydrophobicContact CD1-CB 4.29Å; L143-L226 HydrophobicContact CD1-CD2 3.84Å; L143-L226 HydrophobicContact CG-CD2 4.32Å; L143-A257 HydrophobicContact CD2-CB 4.17Å; L143-V259 HydrophobicContact CD2-CG2 4.11Å; L143-F336 HydrophobicContact CD1-CE1 4.42Å; L143-F336 HydrophobicContact CD1-CZ 4.03Å; L143-F336 HydrophobicContact CD2-CE2 4.27Å; L143-F336 HydrophobicContact CD2-CZ 3.95Å
144	F	98.9	Very high	98.4	Very high	1 Å²	1	9.5 Å²	9.5	0%	0.004	5%	0.049	C	C	.	.	H	α-helix	trans	-66	-31	176.1	-66.7	-2.2	0	0	0	113.5	A114 L123 F127 R142 I147 A148 L174 W176 V259	A114-F144 HydrophobicContact CB-CD2 3.89Å; A114-F144 HydrophobicContact CB-CE2 4.44Å; L123-F144 HydrophobicContact CB-CD1 4.03Å; L123-F144 HydrophobicContact CB-CD2 3.88Å; L123-F144 HydrophobicContact CB-CE1 4.13Å; L123-F144 HydrophobicContact CB-CE2 3.96Å; L123-F144 HydrophobicContact CB-CG 3.92Å; L123-F144 HydrophobicContact CB-CZ 4.1Å; L123-F144 HydrophobicContact CD1-CB 3.79Å; L123-F144 HydrophobicContact CD1-CD1 4.21Å; L123-F144 HydrophobicContact CD1-CG 3.96Å; F127-F144 AromaticContact CZ-CE1 3.97Å; F127-F144 HydrophobicContact CZ-CE1 3.97Å; F127-F144 HydrophobicContact CZ-CZ 4.32Å; R142-F144 VanDerWaalsContact C-N 3.26Å; R142-F144 PolarHBondContact O-N 3.39Å; R142-F144 VanDerWaalsContact O-N 3.11Å; F144-I147 HydrophobicContact CD1-CD1 4.4Å; F144-A148 WeakPolarHBondContact O-CB 3.23Å; F144-A148 PolarHBondContact O-N 2.89Å; F144-L174 HydrophobicContact CB-CD1 3.67Å; F144-W176 HydrophobicContact CB-CH2 4.07Å; F144-W176 HydrophobicContact CB-CZ2 4.42Å; F144-W176 HydrophobicContact CD2-CE3 4.49Å; F144-W176 AromaticContact CD2-CH2 3.92Å; F144-W176 HydrophobicContact CD2-CH2 3.92Å; F144-W176 AromaticContact CD2-CZ3 3.76Å; F144-W176 HydrophobicContact CD2-CZ3 3.76Å; F144-W176 HydrophobicContact CE2-CZ3 4.29Å; F144-W176 HydrophobicContact CG-CH2 4.29Å; F144-V259 HydrophobicContact CD1-CG1 4.4Å; F144-V259 HydrophobicContact CE1-CG1 3.75Å; F144-V259 HydrophobicContact CE1-CG2 4.12Å
145	Y	98.9	Very high	98.2	Very high	68 Å²	68	14.1 Å²	14.1	27%	0.267	7%	0.074	S	C	.	.	H	α-helix	trans	-69.7	-40	173	-78.1	-69	0	0	0	111.4	E141 R142 L143 A148 V149 I173 L174 W176 L196	E141-Y145 WeakPolarHBondContact O-CD2 3.4Å; R142-Y145 WeakPolarHBondContact O-CA 3.38Å; R142-Y145 WeakPolarHBondContact O-CB 3.43Å; R142-Y145 PolarHBondContact O-N 3.09Å; L143-Y145 VanDerWaalsContact C-N 3.32Å; L143-Y145 PolarHBondContact O-N 3.43Å; Y145-A148 PolarHBondContact O-N 2.77Å; Y145-V149 VanDerWaalsContact O-CB 3.27Å; Y145-V149 WeakPolarHBondContact O-CB 3.42Å; Y145-V149 VanDerWaalsContact O-CG2 3.3Å; Y145-V149 WeakPolarHBondContact O-CG2 3.33Å; Y145-V149 PolarHBondContact O-N 3.44Å; Y145-I173 HydrophobicContact CD1-CB 4.28Å; Y145-I173 HydrophobicContact CD1-CG2 4.39Å; Y145-I173 HydrophobicContact CE1-CB 4.27Å; Y145-L174 HydrophobicContact CD1-CD1 3.74Å; Y145-L174 HydrophobicContact CD1-CG 4.08Å; Y145-L174 HydrophobicContact CD2-CD1 4.2Å; Y145-L174 HydrophobicContact CE1-CB 4.09Å; Y145-L174 HydrophobicContact CE1-CD1 3.85Å; Y145-L174 HydrophobicContact CE1-CG 4.01Å; Y145-L174 HydrophobicContact CE2-CD1 4.29Å; Y145-L174 HydrophobicContact CG-CD1 3.92Å; Y145-W176 AromaticContact CD2-CZ2 3.9Å; Y145-W176 HydrophobicContact CD2-CZ2 3.9Å; Y145-W176 AromaticContact CE2-CE2 3.87Å; Y145-W176 AromaticContact CE2-CZ2 3.54Å; Y145-W176 HydrophobicContact CE2-CZ2 3.54Å; Y145-W176 AromaticContact CE2-NE1 3.58Å; Y145-W176 AromaticContact CZ-NE1 3.42Å; Y145-W176 PolarHBondContact OH-NE1 2.87Å; Y145-L196 HydrophobicContact CD1-CD2 4.38Å; Y145-L196 HydrophobicContact CG-CD2 4.22Å
146	Y	98.9	Very high	98.1	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-61.8	-49.7	174.9	-77.2	-104.9	0	0	0	110.1	R142 L143 A148 V149 S150 S195 L196 Y199 R225 L226 D229	R142-Y146 HydrophobicContact CB-CD2 4.37Å; R142-Y146 HydrophobicContact CB-CE2 4.25Å; R142-Y146 PolarHBondContact NH2-OH 3.46Å; R142-Y146 WeakPolarHBondContact O-CD2 3.37Å; R142-Y146 PolarHBondContact O-N 2.81Å; L143-Y146 PolarHBondContact O-N 2.75Å; Y146-A148 PolarHBondContact O-N 3.31Å; Y146-V149 PolarHBondContact O-N 3.02Å; Y146-S150 PolarHBondContact O-N 2.87Å; Y146-S150 PolarHBondContact O-OG 2.89Å; Y146-S195 WeakPolarHBondContact OH-CB 3.4Å; Y146-L196 HydrophobicContact CD1-CD1 4.3Å; Y146-L196 HydrophobicContact CD2-CD1 3.73Å; Y146-L196 HydrophobicContact CE1-CD1 4.4Å; Y146-L196 HydrophobicContact CE2-CB 4.43Å; Y146-L196 HydrophobicContact CE2-CD1 3.85Å; Y146-L196 HydrophobicContact CG-CD1 3.98Å; Y146-Y199 AromaticContact CD1-CD1 3.46Å; Y146-Y199 HydrophobicContact CD1-CD1 3.46Å; Y146-Y199 VanDerWaalsContact CD1-CD1 3.46Å; Y146-Y199 AromaticContact CD1-CE1 3.91Å; Y146-Y199 HydrophobicContact CD1-CE1 3.91Å; Y146-Y199 HydrophobicContact CD1-CG 4.31Å; Y146-Y199 AromaticContact CE1-CD1 3.96Å; Y146-Y199 HydrophobicContact CE1-CD1 3.96Å; Y146-Y199 HydrophobicContact CE1-CG 4.41Å; Y146-Y199 HydrophobicContact CG-CD1 4.34Å; Y146-R225 HydrophobicContact CD1-CB 4.33Å; Y146-R225 HydrophobicContact CD1-CG 3.87Å; Y146-R225 HydrophobicContact CE1-CG 3.79Å; Y146-L226 HydrophobicContact CD1-CB 4.24Å; Y146-L226 HydrophobicContact CD2-CB 4.39Å; Y146-L226 HydrophobicContact CD2-CD1 4.21Å; Y146-L226 HydrophobicContact CE1-CB 4.47Å; Y146-L226 HydrophobicContact CE2-CD1 3.81Å; Y146-L226 HydrophobicContact CG-CB 4.2Å; Y146-D229 WeakPolarHBondContact CE1-OD2 3.36Å; Y146-D229 VanDerWaalsContact CZ-OD2 3.26Å; Y146-D229 PolarHBondContact OH-OD2 3.07Å
147	I	98.9	Very high	98	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.6	-47.9	176.8	-63.6	164.9	0	0	0	111.3	L123 L143 F144 V149 S150 L151 L219 A222 F223 V259	L123-I147 HydrophobicContact CD1-CB 4.23Å; L123-I147 HydrophobicContact CD1-CG2 4.09Å; L123-I147 HydrophobicContact CD2-CD1 4.26Å; L123-I147 HydrophobicContact CD2-CG2 3.87Å; L143-I147 HydrophobicContact CD1-CD1 4.44Å; L143-I147 HydrophobicContact CD1-CG1 4.44Å; L143-I147 HydrophobicContact CG-CD1 3.96Å; L143-I147 HydrophobicContact CG-CG1 4.42Å; L143-I147 WeakPolarHBondContact O-CG1 3.17Å; L143-I147 PolarHBondContact O-N 3.47Å; F144-I147 HydrophobicContact CD1-CD1 4.4Å; I147-V149 VanDerWaalsContact C-N 3.33Å; I147-V149 PolarHBondContact O-N 2.9Å; I147-S150 PolarHBondContact O-N 3.49Å; I147-L151 HydrophobicContact CG2-CD1 3.85Å; I147-L151 VanDerWaalsContact O-CG 3.3Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 3.4Å; I147-L151 VanDerWaalsContact O-N 3.16Å; I147-L219 HydrophobicContact CD1-CD2 3.89Å; I147-L219 HydrophobicContact CG1-CD2 4.07Å; I147-L219 HydrophobicContact CG2-CD2 3.68Å; I147-A222 HydrophobicContact CB-CB 4.21Å; I147-A222 HydrophobicContact CG1-CB 3.58Å; I147-F223 HydrophobicContact CD1-CE2 4.02Å; I147-V259 HydrophobicContact CD1-CG1 4.09Å
148	A	98.7	Very high	97.9	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-38	-179.2	0	0	0	0	0	112.4	F144 Y145 Y146 L151 L152 I173 L174	F144-A148 WeakPolarHBondContact O-CB 3.23Å; F144-A148 PolarHBondContact O-N 2.89Å; Y145-A148 PolarHBondContact O-N 2.77Å; Y146-A148 PolarHBondContact O-N 3.31Å; A148-L151 PolarHBondContact O-N 3.35Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.49Å; A148-I173 HydrophobicContact CB-CG2 3.63Å; A148-L174 HydrophobicContact CB-CD2 3.87Å; A148-L174 HydrophobicContact CB-CG 4.34Å
149	V	98.4	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.6	-43.1	173.8	160.5	0	0	0	0	111.5	Y145 Y146 I147 L151 L152 L157 I173 L196 Y199 W200 L203	Y145-V149 VanDerWaalsContact O-CB 3.27Å; Y145-V149 WeakPolarHBondContact O-CB 3.42Å; Y145-V149 VanDerWaalsContact O-CG2 3.3Å; Y145-V149 WeakPolarHBondContact O-CG2 3.33Å; Y145-V149 PolarHBondContact O-N 3.44Å; Y146-V149 PolarHBondContact O-N 3.02Å; I147-V149 VanDerWaalsContact C-N 3.33Å; I147-V149 PolarHBondContact O-N 2.9Å; V149-L151 PolarHBondContact O-N 3.47Å; V149-L152 HydrophobicContact CG2-CD1 4.48Å; V149-L152 PolarHBondContact O-N 3.25Å; V149-L152 VanDerWaalsContact O-N 3.15Å; V149-L157 HydrophobicContact CG1-CD2 4.16Å; V149-I173 HydrophobicContact CG2-CD1 4.11Å; V149-L196 HydrophobicContact CB-CD1 4.3Å; V149-L196 HydrophobicContact CG2-CD1 3.96Å; V149-L196 HydrophobicContact CG2-CD2 4.36Å; V149-L196 HydrophobicContact CG2-CG 4.23Å; V149-Y199 HydrophobicContact CG1-CD1 4.19Å; V149-Y199 HydrophobicContact CG1-CE1 4.47Å; V149-W200 HydrophobicContact CG1-CB 3.74Å; V149-W200 HydrophobicContact CG2-CE3 4.39Å; V149-L203 HydrophobicContact CG1-CD1 3.71Å
150	S	98.2	Very high	97.7	Very high	11 Å²	11	24 Å²	24	8%	0.077	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-17	175.1	-52.5	0	0	0	0	114	Y146 I147 Y199 P213 A218	Y146-S150 PolarHBondContact O-N 2.87Å; Y146-S150 PolarHBondContact O-OG 2.89Å; I147-S150 PolarHBondContact O-N 3.49Å; S150-Y199 WeakPolarHBondContact OG-CE1 3.46Å; S150-Y199 PolarHBondContact OG-OH 2.81Å; S150-P213 WeakPolarHBondContact O-CB 3.38Å; S150-A218 WeakPolarHBondContact O-CB 3.36Å
151	L	98	Very high	97.7	Very high	14 Å²	14	24.8 Å²	24.8	7%	0.073	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	0.4	178.2	-68.4	169	0	0	0	113.4	T119 I147 A148 V149 T215 A218	T119-L151 HydrophobicContact CG2-CB 4.31Å; T119-L151 WeakPolarHBondContact CG2-O 3.33Å; I147-L151 HydrophobicContact CG2-CD1 3.85Å; I147-L151 VanDerWaalsContact O-CG 3.3Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 3.4Å; I147-L151 VanDerWaalsContact O-N 3.16Å; A148-L151 PolarHBondContact O-N 3.35Å; V149-L151 PolarHBondContact O-N 3.47Å; L151-T215 HydrophobicContact CD2-CG2 4.24Å; L151-A218 HydrophobicContact CD2-CB 3.57Å; L151-A218 HydrophobicContact CG-CB 4Å
152	L	97.1	Very high	97.6	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.026	15%	0.145	C	C	.	.	S	Bend	trans	-80.1	138.8	179	-59.6	-176.8	0	0	0	111.7	Q118 T119 A148 V149 T156 L157 L160 P213	Q118-L152 HydrophobicContact CB-CD2 3.53Å; Q118-L152 HydrophobicContact CG-CD2 4.23Å; T119-L152 HydrophobicContact CG2-CD2 4.34Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.49Å; V149-L152 HydrophobicContact CG2-CD1 4.48Å; V149-L152 PolarHBondContact O-N 3.25Å; V149-L152 VanDerWaalsContact O-N 3.15Å; L152-T156 HydrophobicContact CD1-CG2 4.29Å; L152-T156 HydrophobicContact CD2-CG2 4.3Å; L152-L157 HydrophobicContact CB-CD2 3.87Å; L152-L157 HydrophobicContact CB-CG 3.9Å; L152-L157 HydrophobicContact CD1-CD2 3.95Å; L152-L157 HydrophobicContact CG-CD2 4.39Å; L152-L160 HydrophobicContact CD1-CD1 3.46Å; L152-L160 VanDerWaalsContact CD1-CD1 3.46Å; L152-P213 WeakPolarHBondContact O-CG 3.37Å
153	P	95.7	Very high	97.5	Very high	55 Å²	55	26.9 Å²	26.9	36%	0.357	15%	0.149	S	C	.	.			trans	-60.6	151.7	165.6	-21.6	33.6	0	0	0	112.1	D155 T156 L157	P153-D155 VanDerWaalsContact C-N 3.28Å; P153-D155 PolarHBondContact O-N 3.23Å; P153-T156 WeakPolarHBondContact O-CB 3.45Å; P153-T156 PolarHBondContact O-N 3.07Å; P153-L157 PolarHBondContact O-N 2.87Å; P153-L157 VanDerWaalsContact O-N 3.13Å
154	H	96.3	Very high	97.4	Very high	28 Å²	28	28.4 Å²	28.4	13%	0.13	16%	0.158	C	C	.	.	H	α-helix	trans	-47.5	-46.8	178.6	-178.5	91.1	0	0	0	113.4	T156 L157 C158 I204 T207	H154-T156 VanDerWaalsContact C-N 3.3Å; H154-T156 PolarHBondContact O-N 2.84Å; H154-L157 WeakPolarHBondContact O-CB 3.2Å; H154-L157 PolarHBondContact O-N 3.17Å; H154-C158 PolarHBondContact O-N 2.79Å; H154-I204 PolarHBondContact CE1-O 2.76Å; H154-T207 PolarHBondContact CE1-O 2.74Å; H154-T207 VanDerWaalsContact CE1-O 3.22Å; H154-T207 PolarHBondContact ND1-O 2.83Å; H154-T207 PolarHBondContact ND1-OG1 3.42Å
155	D	95.4	Very high	97.4	Very high	97 Å²	97	35.4 Å²	35.4	52%	0.519	19%	0.19	S	C	.	.	H	α-helix	trans	-61.7	-37.7	-179.2	-60.7	-17.8	0	0	0	112.1	P153 C158 E159	P153-D155 VanDerWaalsContact C-N 3.28Å; P153-D155 PolarHBondContact O-N 3.23Å; D155-C158 PolarHBondContact O-N 2.8Å; D155-E159 WeakPolarHBondContact O-CG 3.14Å; D155-E159 PolarHBondContact O-N 2.9Å
156	T	96	Very high	97.3	Very high	30 Å²	30	35.2 Å²	35.2	18%	0.184	20%	0.203	C	C	.	.	H	α-helix	trans	-72	-35	177.9	-49.2	0	0	0	0	112.1	Q118 L152 P153 H154 E159 L160	Q118-T156 HydrophobicContact CB-CG2 4.42Å; Q118-T156 HydrophobicContact CG-CG2 4.47Å; L152-T156 HydrophobicContact CD1-CG2 4.29Å; L152-T156 HydrophobicContact CD2-CG2 4.3Å; P153-T156 WeakPolarHBondContact O-CB 3.45Å; P153-T156 PolarHBondContact O-N 3.07Å; H154-T156 VanDerWaalsContact C-N 3.3Å; H154-T156 PolarHBondContact O-N 2.84Å; T156-E159 PolarHBondContact O-N 3.47Å; T156-L160 WeakPolarHBondContact O-CG 3.47Å; T156-L160 PolarHBondContact O-N 2.82Å
157	L	97.3	Very high	97.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-46.8	171.6	-63.6	164.8	0	0	0	110.2	V149 L152 P153 H154 E159 L160 E161 W200 L203 I204	V149-L157 HydrophobicContact CG1-CD2 4.16Å; L152-L157 HydrophobicContact CB-CD2 3.87Å; L152-L157 HydrophobicContact CB-CG 3.9Å; L152-L157 HydrophobicContact CD1-CD2 3.95Å; L152-L157 HydrophobicContact CG-CD2 4.39Å; P153-L157 PolarHBondContact O-N 2.87Å; P153-L157 VanDerWaalsContact O-N 3.13Å; H154-L157 WeakPolarHBondContact O-CB 3.2Å; H154-L157 PolarHBondContact O-N 3.17Å; L157-E159 PolarHBondContact O-N 2.96Å; L157-L160 PolarHBondContact O-N 2.67Å; L157-E161 PolarHBondContact O-N 3.02Å; L157-W200 HydrophobicContact CD2-CB 3.81Å; L157-L203 HydrophobicContact CD1-CB 3.84Å; L157-L203 HydrophobicContact CD2-CD1 4.45Å; L157-I204 HydrophobicContact CB-CD1 4.11Å; L157-I204 HydrophobicContact CB-CG1 3.59Å
158	C	97.1	Very high	97	Very high	47 Å²	47	45.1 Å²	45.1	32%	0.318	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-41.2	174.9	-75.5	0	0	0	0	112.9	H154 D155 E161 A162	H154-C158 PolarHBondContact O-N 2.79Å; D155-C158 PolarHBondContact O-N 2.8Å; C158-E161 PolarHBondContact O-N 3.43Å; C158-A162 VanDerWaalsContact O-CB 3.23Å; C158-A162 WeakPolarHBondContact O-CB 3.49Å; C158-A162 PolarHBondContact O-N 3.09Å
159	E	96.4	Very high	96.7	Very high	125 Å²	125	49.8 Å²	49.8	58%	0.584	30%	0.301	S	S	*	.	H	α-helix	trans	-65	-37.3	175.4	-78.7	-168.3	167	0	0	113.4	D155 T156 L157 S163	D155-E159 WeakPolarHBondContact O-CG 3.14Å; D155-E159 PolarHBondContact O-N 2.9Å; T156-E159 PolarHBondContact O-N 3.47Å; L157-E159 PolarHBondContact O-N 2.96Å; E159-S163 VanDerWaalsContact O-CB 3.26Å; E159-S163 WeakPolarHBondContact O-CB 3.37Å; E159-S163 PolarHBondContact O-N 2.9Å; E159-S163 VanDerWaalsContact O-N 3.1Å; E159-S163 PolarHBondContact O-OG 2.93Å
160	L	96.3	Very high	96.4	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-50.1	174.4	-75.7	173.1	0	0	0	111.1	L152 T156 L157 S163 V164 L170 I173	L152-L160 HydrophobicContact CD1-CD1 3.46Å; L152-L160 VanDerWaalsContact CD1-CD1 3.46Å; T156-L160 WeakPolarHBondContact O-CG 3.47Å; T156-L160 PolarHBondContact O-N 2.82Å; L157-L160 PolarHBondContact O-N 2.67Å; L160-S163 WeakPolarHBondContact O-CA 3.03Å; L160-S163 WeakPolarHBondContact O-CB 3.36Å; L160-S163 PolarHBondContact O-N 2.74Å; L160-V164 PolarHBondContact O-N 2.87Å; L160-L170 HydrophobicContact CD2-CB 4.4Å; L160-I173 HydrophobicContact CD1-CD1 4.07Å; L160-I173 HydrophobicContact CD1-CG1 4.46Å
161	E	97.9	Very high	96.1	Very high	20 Å²	20	54.7 Å²	54.7	9%	0.093	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-48.5	-178.6	-178.8	56.9	-167.2	0	0	111.9	L157 C158 S163 V164 E165 R197 W200 Q201 I204	L157-E161 PolarHBondContact O-N 3.02Å; C158-E161 PolarHBondContact O-N 3.43Å; E161-S163 PolarHBondContact O-N 2.94Å; E161-S163 VanDerWaalsContact O-N 3.08Å; E161-V164 PolarHBondContact O-N 3.18Å; E161-E165 PolarHBondContact O-N 2.86Å; E161-R197 IonicContact OE1-CZ 2.72Å; E161-R197 IonicContact OE1-NE 2.97Å; E161-R197 PolarHBondContact OE1-NE 3.08Å; E161-R197 IonicContact OE1-NH2 2.87Å; E161-R197 PolarHBondContact OE1-NH2 3.45Å; E161-R197 IonicContact OE2-CZ 3.53Å; E161-R197 IonicContact OE2-NE 2.64Å; E161-R197 PolarHBondContact OE2-NE 2.99Å; E161-R197 IonicContact OE2-NH2 3.39Å; E161-W200 PolarHBondContact OE2-NE1 2.77Å; E161-Q201 HydrophobicContact CG-CG 4.4Å; E161-Q201 PolarHBondContact OE1-NE2 2.86Å; E161-I204 HydrophobicContact CB-CD1 3.86Å; E161-I204 HydrophobicContact CG-CD1 4.35Å
162	A	97.6	Very high	95.9	Very high	42 Å²	42	58 Å²	58	35%	0.347	35%	0.353	S	S	.	.	H	α-helix	trans	-64.3	-13.6	174.5	0	0	0	0	0	113.2	C158 A166 R168	C158-A162 VanDerWaalsContact O-CB 3.23Å; C158-A162 WeakPolarHBondContact O-CB 3.49Å; C158-A162 PolarHBondContact O-N 3.09Å; A162-A166 VanDerWaalsContact O-CB 3.27Å; A162-A166 WeakPolarHBondContact O-CB 3.49Å; A162-R168 VanDerWaalsContact C-NH2 3.33Å; A162-R168 PolarHBondContact O-NH2 2.8Å
163	S	97.3	Very high	95.9	Very high	13 Å²	13	58.8 Å²	58.8	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-86	-38.4	170.5	-63.1	0	0	0	0	112	E159 L160 E161 G167 R168	E159-S163 VanDerWaalsContact O-CB 3.26Å; E159-S163 WeakPolarHBondContact O-CB 3.37Å; E159-S163 PolarHBondContact O-N 2.9Å; E159-S163 VanDerWaalsContact O-N 3.1Å; E159-S163 PolarHBondContact O-OG 2.93Å; L160-S163 WeakPolarHBondContact O-CA 3.03Å; L160-S163 WeakPolarHBondContact O-CB 3.36Å; L160-S163 PolarHBondContact O-N 2.74Å; E161-S163 PolarHBondContact O-N 2.94Å; E161-S163 VanDerWaalsContact O-N 3.08Å; S163-G167 PolarHBondContact O-N 3.13Å; S163-R168 PolarHBondContact O-N 3.48Å; S163-R168 PolarHBondContact OG-NH2 3.08Å
164	V	97.1	Very high	96.1	Very high	31 Å²	31	56.8 Å²	56.8	19%	0.188	34%	0.343	C	S	.	.	H	α-helix	trans	-65.5	-47.9	172.4	-178.6	0	0	0	0	111.5	L160 E161 A166 G167 L170 F193 R197 W200	L160-V164 PolarHBondContact O-N 2.87Å; E161-V164 PolarHBondContact O-N 3.18Å; V164-A166 VanDerWaalsContact C-N 3.27Å; V164-A166 PolarHBondContact O-N 2.87Å; V164-G167 PolarHBondContact O-N 2.84Å; V164-L170 HydrophobicContact CG2-CD1 3.86Å; V164-L170 HydrophobicContact CG2-CD2 3.58Å; V164-L170 HydrophobicContact CG2-CG 4.32Å; V164-F193 HydrophobicContact CG2-CZ 3.89Å; V164-R197 VanDerWaalsContact CG1-CZ 3.44Å; V164-W200 HydrophobicContact CG2-CH2 4.31Å; V164-W200 HydrophobicContact CG2-CZ2 3.84Å
165	E	97	Very high	96.2	Very high	148 Å²	148	60.6 Å²	60.6	69%	0.692	36%	0.36	S	S	*	.	H	α-helix	trans	-58.1	-40.2	178.7	-70.4	-158.9	123.7	0	0	112.5	E161 G167	E161-E165 PolarHBondContact O-N 2.86Å; E165-G167 PolarHBondContact O-N 3.29Å
166	A	97.2	Very high	96.3	Very high	64 Å²	64	58.1 Å²	58.1	53%	0.529	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.2	178.6	0	0	0	0	0	114	A162 V164 R168	A162-A166 VanDerWaalsContact O-CB 3.27Å; A162-A166 WeakPolarHBondContact O-CB 3.49Å; V164-A166 VanDerWaalsContact C-N 3.27Å; V164-A166 PolarHBondContact O-N 2.87Å; A166-R168 HydrophobicContact CB-CG 3.88Å; A166-R168 PolarHBondContact O-N 3.48Å
167	G	95.4	Very high	96.4	Very high	71 Å²	71	57.2 Å²	57.2	73%	0.732	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	26.8	-176.1	0	0	0	0	0	114	S163 V164 E165	S163-G167 PolarHBondContact O-N 3.13Å; V164-G167 PolarHBondContact O-N 2.84Å; E165-G167 PolarHBondContact O-N 3.29Å
168	R	95.7	Very high	96.4	Very high	139 Å²	139	58.6 Å²	58.6	53%	0.525	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-85	159.8	-179.9	-66.7	-175.8	-72.5	158.9	-1.9	110.9	A162 S163 A166	A162-R168 VanDerWaalsContact C-NH2 3.33Å; A162-R168 PolarHBondContact O-NH2 2.8Å; S163-R168 PolarHBondContact O-N 3.48Å; S163-R168 PolarHBondContact OG-NH2 3.08Å; A166-R168 HydrophobicContact CB-CG 3.88Å; A166-R168 PolarHBondContact O-N 3.48Å
169	A	92.3	Very high	96.5	Very high	100 Å²	100	57.5 Å²	57.5	83%	0.826	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-65.2	137.5	168.2	0	0	0	0	0	109.8
170	L	93	Very high	96.6	Very high	64 Å²	64	57.2 Å²	57.2	34%	0.335	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-86.4	146.9	-178.2	-53.5	-177.3	0	0	0	111.7	L160 V164 F193	L160-L170 HydrophobicContact CD2-CB 4.4Å; V164-L170 HydrophobicContact CG2-CD1 3.86Å; V164-L170 HydrophobicContact CG2-CD2 3.58Å; V164-L170 HydrophobicContact CG2-CG 4.32Å; L170-F193 HydrophobicContact CD1-CE2 3.73Å; L170-F193 HydrophobicContact CD1-CZ 3.91Å
171	S	91.5	Very high	96.6	Very high	51 Å²	51	61.8 Å²	61.8	36%	0.357	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-58.4	129.6	164.5	-61.3	0	0	0	0	109.4	I173	S171-I173 PolarHBondContact O-N 2.83Å
172	P	94.9	Very high	96.6	Very high	84 Å²	84	62 Å²	62	55%	0.545	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-70.5	131.6	-177.1	29.9	-35.4	0	0	0	110	L117 Q118	L117-P172 VanDerWaalsContact CB-O 3.24Å; L117-P172 WeakPolarHBondContact CB-O 3.43Å; L117-P172 HydrophobicContact CD1-CB 3.74Å; L117-P172 HydrophobicContact CD1-CG 3.9Å; Q118-P172 PolarHBondContact NE2-O 2.62Å
173	I	97.4	Very high	96.6	Very high	20 Å²	20	65 Å²	65	10%	0.103	37%	0.372	C	S	.	.			trans	-87	-41.6	-175.4	-54.9	177.2	0	0	0	111.6	L117 Y145 A148 V149 L160 S171	L117-I173 PolarHBondContact N-O 2.82Å; Y145-I173 HydrophobicContact CD1-CB 4.28Å; Y145-I173 HydrophobicContact CD1-CG2 4.39Å; Y145-I173 HydrophobicContact CE1-CB 4.27Å; A148-I173 HydrophobicContact CB-CG2 3.63Å; V149-I173 HydrophobicContact CG2-CD1 4.11Å; L160-I173 HydrophobicContact CD1-CD1 4.07Å; L160-I173 HydrophobicContact CD1-CG1 4.46Å; S171-I173 PolarHBondContact O-N 2.83Å
174	L	98.3	Very high	96.7	Very high	14 Å²	14	67.6 Å²	67.6	7%	0.073	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.3	-175.6	-67.8	179	0	0	0	112	A114 T115 L123 F144 Y145 A148 W176	A114-L174 HydrophobicContact CB-CB 4.38Å; A114-L174 HydrophobicContact CB-CD1 4.37Å; A114-L174 HydrophobicContact CB-CD2 4.17Å; T115-L174 WeakPolarHBondContact O-CA 3.42Å; L123-L174 HydrophobicContact CD1-CD2 4.46Å; F144-L174 HydrophobicContact CB-CD1 3.67Å; Y145-L174 HydrophobicContact CD1-CD1 3.74Å; Y145-L174 HydrophobicContact CD1-CG 4.08Å; Y145-L174 HydrophobicContact CD2-CD1 4.2Å; Y145-L174 HydrophobicContact CE1-CB 4.09Å; Y145-L174 HydrophobicContact CE1-CD1 3.85Å; Y145-L174 HydrophobicContact CE1-CG 4.01Å; Y145-L174 HydrophobicContact CE2-CD1 4.29Å; Y145-L174 HydrophobicContact CG-CD1 3.92Å; A148-L174 HydrophobicContact CB-CD2 3.87Å; A148-L174 HydrophobicContact CB-CG 4.34Å; L174-W176 HydrophobicContact CD1-CZ2 3.73Å
175	Q	98.3	Very high	96.7	Very high	107 Å²	107	66.5 Å²	66.5	50%	0.5	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.4	160	-178.5	176.4	2.9	0	0	109.1	A114 T115 L117	A114-Q175 CarbonylContact C-O 3.59Å; A114-Q175 WeakPolarHBondContact CA-O 3.29Å; A114-Q175 WeakPolarHBondContact CB-O 3.2Å; T115-Q175 PolarHBondContact N-O 3.15Å; T115-Q175 PolarHBondContact O-N 3.26Å; L117-Q175 HydrophobicContact CD1-CB 4.07Å; L117-Q175 HydrophobicContact CD2-CB 4.06Å; L117-Q175 HydrophobicContact CG-CB 4.19Å
176	W	98.6	Very high	96.6	Very high	46 Å²	46	68.6 Å²	68.6	17%	0.174	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.2	-176.5	-70.6	89.4	0	0	0	113.1	A114 S140 F144 Y145 L174 K178 F184	A114-W176 HydrophobicContact CB-CD2 4.19Å; A114-W176 HydrophobicContact CB-CE3 4.18Å; A114-W176 HydrophobicContact CB-CG 4.5Å; S140-W176 VanDerWaalsContact O-CH2 3.3Å; S140-W176 WeakPolarHBondContact O-CH2 3.36Å; S140-W176 WeakPolarHBondContact O-CZ3 3.38Å; F144-W176 HydrophobicContact CB-CH2 4.07Å; F144-W176 HydrophobicContact CB-CZ2 4.42Å; F144-W176 HydrophobicContact CD2-CE3 4.49Å; F144-W176 AromaticContact CD2-CH2 3.92Å; F144-W176 HydrophobicContact CD2-CH2 3.92Å; F144-W176 AromaticContact CD2-CZ3 3.76Å; F144-W176 HydrophobicContact CD2-CZ3 3.76Å; F144-W176 HydrophobicContact CE2-CZ3 4.29Å; F144-W176 HydrophobicContact CG-CH2 4.29Å; Y145-W176 AromaticContact CD2-CZ2 3.9Å; Y145-W176 HydrophobicContact CD2-CZ2 3.9Å; Y145-W176 AromaticContact CE2-CE2 3.87Å; Y145-W176 AromaticContact CE2-CZ2 3.54Å; Y145-W176 HydrophobicContact CE2-CZ2 3.54Å; Y145-W176 AromaticContact CE2-NE1 3.58Å; Y145-W176 AromaticContact CZ-NE1 3.42Å; Y145-W176 PolarHBondContact OH-NE1 2.87Å; L174-W176 HydrophobicContact CD1-CZ2 3.73Å; W176-K178 HydrophobicContact CB-CD 4.41Å; W176-K178 HydrophobicContact CB-CG 4.39Å; W176-K178 HydrophobicContact CD2-CD 4.42Å; W176-K178 HydrophobicContact CE3-CD 3.91Å; W176-K178 HydrophobicContact CE3-CG 4.15Å; W176-F184 HydrophobicContact CB-CZ 4.36Å; W176-F184 AromaticContact CD1-CZ 3.91Å; W176-F184 HydrophobicContact CD2-CE1 4.2Å; W176-F184 AromaticContact CD2-CZ 3.71Å; W176-F184 HydrophobicContact CD2-CZ 3.71Å; W176-F184 AromaticContact CE2-CE1 3.9Å; W176-F184 AromaticContact CE2-CZ 3.83Å; W176-F184 HydrophobicContact CE3-CZ 4.23Å; W176-F184 AromaticContact CG-CZ 3.76Å; W176-F184 HydrophobicContact CG-CZ 3.76Å; W176-F184 HydrophobicContact CZ2-CE1 4.09Å; W176-F184 HydrophobicContact CZ2-CZ 4.44Å; W176-F184 AromaticContact NE1-CZ 3.93Å
177	H	98.3	Very high	96.5	Very high	11 Å²	11	70.9 Å²	70.9	5%	0.051	38%	0.376	C	S	.	.			trans	-115.7	70.1	179.5	-51.6	-51.8	0	0	0	109.5	Y78 F80 F96 A113 T115	Y78-H177 HydrophobicContact CE1-CB 4.43Å; Y78-H177 WeakPolarHBondContact CE1-O 3.3Å; Y78-H177 WeakPolarHBondContact OH-CA 3.47Å; F80-H177 HydrophobicContact CD2-CB 4.27Å; F80-H177 AromaticContact CD2-CG 3.95Å; F80-H177 AromaticContact CD2-ND1 3.77Å; F80-H177 AromaticContact CE2-CE1 3.5Å; F80-H177 VanDerWaalsContact CE2-CE1 3.5Å; F80-H177 WeakPolarHBondContact CE2-CE1 3.27Å; F80-H177 AromaticContact CE2-CG 3.91Å; F80-H177 AromaticContact CE2-ND1 3.38Å; F80-H177 WeakPolarHBondContact CE2-ND1 3.34Å; F80-H177 HydrophobicContact CG-CB 4.39Å; F80-H177 AromaticContact CZ-CE1 3.48Å; F80-H177 VanDerWaalsContact CZ-CE1 3.48Å; F80-H177 WeakPolarHBondContact CZ-CE1 3.24Å; F80-H177 AromaticContact CZ-ND1 3.81Å; F80-H177 AromaticContact CZ-NE2 3.67Å; F96-H177 HydrophobicContact CE1-CB 4.01Å; F96-H177 HydrophobicContact CZ-CB 3.67Å; A113-H177 HydrophobicContact CB-CB 4.27Å; A113-H177 PolarHBondContact O-N 2.73Å; T115-H177 PolarHBondContact OG1-NE2 2.84Å
178	K	97.2	Very high	96.5	Very high	30 Å²	30	67.5 Å²	67.5	13%	0.13	34%	0.342	C	S	.	.			trans	-101.9	147.6	-175.4	-70	176.9	91	85.8	0	111.6	Y78 S112 W176 D182 F184	Y78-K178 VanDerWaalsContact CE2-O 3.29Å; Y78-K178 WeakPolarHBondContact CE2-O 3.5Å; S112-K178 PolarHBondContact OG-NZ 3.09Å; W176-K178 HydrophobicContact CB-CD 4.41Å; W176-K178 HydrophobicContact CB-CG 4.39Å; W176-K178 HydrophobicContact CD2-CD 4.42Å; W176-K178 HydrophobicContact CE3-CD 3.91Å; W176-K178 HydrophobicContact CE3-CG 4.15Å; K178-D182 HydrophobicContact CB-CB 4.18Å; K178-D182 HydrophobicContact CG-CB 4.48Å; K178-F184 HydrophobicContact CD-CD2 4.43Å; K178-F184 HydrophobicContact CD-CE2 3.58Å; K178-F184 HydrophobicContact CD-CZ 3.62Å
179	H	98.3	Very high	96.5	Very high	24 Å²	24	65.8 Å²	65.8	11%	0.111	34%	0.339	C	S	.	.			trans	-73.5	152.3	168.7	178.9	-101.2	0	0	0	109.9	Y78 R111 N181 D182	Y78-H179 HydrophobicContact CD2-CB 3.74Å; Y78-H179 AromaticContact CD2-CD2 3.97Å; Y78-H179 HydrophobicContact CE2-CB 4.45Å; Y78-H179 HydrophobicContact CG-CB 4.01Å; R111-H179 VanDerWaalsContact NH2-CG 3.33Å; R111-H179 PolarHBondContact NH2-ND1 2.89Å; H179-N181 PolarHBondContact CE1-ND2 3.34Å; H179-N181 PolarHBondContact ND1-N 2.86Å; H179-N181 PolarHBondContact O-N 2.86Å; H179-D182 WeakPolarHBondContact CB-OD2 3.14Å; H179-D182 PolarHBondContact N-OD2 3.49Å; H179-D182 PolarHBondContact O-N 3.06Å
180	P	98	Very high	96.8	Very high	120 Å²	120	65.2 Å²	65.2	78%	0.779	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.4	-177.2	-28.7	37.8	0	0	0	116.5
181	N	97.5	Very high	97	Very high	98 Å²	98	63.3 Å²	63.3	52%	0.524	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-18.7	173.5	-61.2	-10.3	0	0	0	112.9	A75 N76 H179	A75-N181 PolarHBondContact O-ND2 3.14Å; N76-N181 PolarHBondContact OD1-ND2 3.35Å; H179-N181 PolarHBondContact CE1-ND2 3.34Å; H179-N181 PolarHBondContact ND1-N 2.86Å; H179-N181 PolarHBondContact O-N 2.86Å
182	D	98.2	Very high	97.3	Very high	24 Å²	24	61.8 Å²	61.8	13%	0.128	31%	0.306	C	S	.	.			trans	-86.4	121.3	-179.2	-32.6	-28.2	0	0	0	109.1	R111 K178 H179	R111-D182 IonicContact CZ-OD1 3.51Å; R111-D182 IonicContact CZ-OD2 2.76Å; R111-D182 IonicContact NE-OD1 3.81Å; R111-D182 PolarHBondContact NE-OD1 2.99Å; R111-D182 IonicContact NE-OD2 3.68Å; R111-D182 PolarHBondContact NE-OD2 3.25Å; R111-D182 VanDerWaalsContact NE-OD2 3.09Å; R111-D182 IonicContact NH2-OD1 3.4Å; R111-D182 PolarHBondContact NH2-OD1 3.42Å; R111-D182 IonicContact NH2-OD2 3.82Å; K178-D182 HydrophobicContact CB-CB 4.18Å; K178-D182 HydrophobicContact CG-CB 4.48Å; H179-D182 WeakPolarHBondContact CB-OD2 3.14Å; H179-D182 PolarHBondContact N-OD2 3.49Å; H179-D182 PolarHBondContact O-N 3.06Å
183	Y	98.1	Very high	97.5	Very high	105 Å²	105	61.4 Å²	61.4	41%	0.412	30%	0.296	S	S	.	.			trans	-117.1	176.4	-167.1	62.8	-89	0	0	0	114.7	R110 Q137	R110-Y183 PolarHBondContact NH2-OH 3.05Å; Q137-Y183 HydrophobicContact CG-CE2 3.84Å; Q137-Y183 PolarHBondContact NE2-O 3.4Å; Q137-Y183 PolarHBondContact OE1-OH 2.9Å
184	F	98.1	Very high	97.5	Very high	69 Å²	69	64.8 Å²	64.8	30%	0.303	31%	0.314	S	S	.	.			trans	-119.1	140.4	171.2	-68.4	-86.3	0	0	0	109.4	E141 W176 K178 R186	E141-F184 HydrophobicContact CB-CD1 3.61Å; E141-F184 HydrophobicContact CB-CE1 3.9Å; E141-F184 VanDerWaalsContact OE2-CA 3.22Å; E141-F184 WeakPolarHBondContact OE2-CA 3.3Å; W176-F184 HydrophobicContact CB-CZ 4.36Å; W176-F184 AromaticContact CD1-CZ 3.91Å; W176-F184 HydrophobicContact CD2-CE1 4.2Å; W176-F184 AromaticContact CD2-CZ 3.71Å; W176-F184 HydrophobicContact CD2-CZ 3.71Å; W176-F184 AromaticContact CE2-CE1 3.9Å; W176-F184 AromaticContact CE2-CZ 3.83Å; W176-F184 HydrophobicContact CE3-CZ 4.23Å; W176-F184 AromaticContact CG-CZ 3.76Å; W176-F184 HydrophobicContact CG-CZ 3.76Å; W176-F184 HydrophobicContact CZ2-CE1 4.09Å; W176-F184 HydrophobicContact CZ2-CZ 4.44Å; W176-F184 AromaticContact NE1-CZ 3.93Å; K178-F184 HydrophobicContact CD-CD2 4.43Å; K178-F184 HydrophobicContact CD-CE2 3.58Å; K178-F184 HydrophobicContact CD-CZ 3.62Å; F184-R186 PolarHBondContact O-N 2.8Å; F184-R186 VanDerWaalsContact O-N 3.1Å
185	T	96.7	Very high	97.6	Very high	8 Å²	8	65.1 Å²	65.1	5%	0.049	32%	0.318	C	S	.	.			trans	-80.7	88.6	-179.7	-53.1	0	0	0	0	110.1	E141 E187 A188 Q189 W246	E141-T185 VanDerWaalsContact CD-N 3.32Å; E141-T185 VanDerWaalsContact OE1-CB 3.27Å; E141-T185 WeakPolarHBondContact OE1-CB 3.45Å; E141-T185 PolarHBondContact OE1-N 3.49Å; E141-T185 PolarHBondContact OE1-OG1 3.44Å; E141-T185 PolarHBondContact OE2-N 3.04Å; T185-E187 VanDerWaalsContact C-N 3.29Å; T185-E187 PolarHBondContact O-N 2.68Å; T185-A188 HydrophobicContact CG2-CB 3.87Å; T185-A188 PolarHBondContact O-N 3.32Å; T185-Q189 PolarHBondContact O-N 3.1Å; T185-W246 HydrophobicContact CG2-CD2 4.31Å; T185-W246 HydrophobicContact CG2-CH2 4.49Å; T185-W246 HydrophobicContact CG2-CZ2 3.94Å
186	R	95.2	Very high	97.6	Very high	192 Å²	192	60.6 Å²	60.6	73%	0.725	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-53.2	-42.7	-170.6	-68.8	-176.1	175.5	-167.3	-1.8	113.9	F184 A188 Q189	F184-R186 PolarHBondContact O-N 2.8Å; F184-R186 VanDerWaalsContact O-N 3.1Å; R186-A188 VanDerWaalsContact C-N 3.26Å; R186-A188 PolarHBondContact O-N 3.04Å; R186-Q189 WeakPolarHBondContact O-CB 3.35Å; R186-Q189 WeakPolarHBondContact O-CG 3.05Å; R186-Q189 PolarHBondContact O-N 3.02Å
187	E	95.4	Very high	97.6	Very high	111 Å²	111	61.2 Å²	61.2	52%	0.519	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-63	-35.4	-177.5	-65	66	-147.4	0	0	111.2	T185 F242 L243	T185-E187 VanDerWaalsContact C-N 3.29Å; T185-E187 PolarHBondContact O-N 2.68Å; E187-F242 HydrophobicContact CB-CD1 3.91Å; E187-F242 HydrophobicContact CB-CE1 3.63Å; E187-F242 HydrophobicContact CG-CD1 4.05Å; E187-F242 HydrophobicContact CG-CE1 3.79Å; E187-F242 HydrophobicContact CG-CZ 4.43Å; E187-L243 HydrophobicContact CB-CD2 4.04Å
188	A	96.5	Very high	97.6	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.008	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-87.7	-6.1	-175.7	0	0	0	0	0	113.9	T185 R186 S190 L191 Y192 L243	T185-A188 HydrophobicContact CG2-CB 3.87Å; T185-A188 PolarHBondContact O-N 3.32Å; R186-A188 VanDerWaalsContact C-N 3.26Å; R186-A188 PolarHBondContact O-N 3.04Å; A188-S190 VanDerWaalsContact C-N 3.33Å; A188-S190 PolarHBondContact O-N 2.78Å; A188-L191 WeakPolarHBondContact O-CB 3.31Å; A188-L191 PolarHBondContact O-N 2.81Å; A188-Y192 HydrophobicContact CB-CD1 4.19Å; A188-Y192 HydrophobicContact CB-CD2 4.18Å; A188-Y192 HydrophobicContact CB-CE1 3.77Å; A188-Y192 HydrophobicContact CB-CE2 3.77Å; A188-Y192 HydrophobicContact CB-CG 4.4Å; A188-Y192 PolarHBondContact O-N 3.16Å; A188-L243 HydrophobicContact CB-CD2 3.98Å
189	Q	95.8	Very high	97.7	Very high	102 Å²	102	63 Å²	63	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-55.3	-43.2	-173.9	-72.9	-178.9	-19.7	0	0	113.4	T185 R186 L191 F193	T185-Q189 PolarHBondContact O-N 3.1Å; R186-Q189 WeakPolarHBondContact O-CB 3.35Å; R186-Q189 WeakPolarHBondContact O-CG 3.05Å; R186-Q189 PolarHBondContact O-N 3.02Å; Q189-L191 VanDerWaalsContact C-N 3.34Å; Q189-L191 PolarHBondContact O-N 2.77Å; Q189-F193 WeakPolarHBondContact O-CB 3.32Å; Q189-F193 PolarHBondContact O-N 3.24Å
190	S	96.7	Very high	97.7	Very high	88 Å²	88	61.9 Å²	61.9	62%	0.615	31%	0.307	S	S	*	.	H	α-helix	trans	-65.9	-35.8	178.1	-55.2	0	0	0	0	112.8	A188 N194	A188-S190 VanDerWaalsContact C-N 3.33Å; A188-S190 PolarHBondContact O-N 2.78Å; S190-N194 WeakPolarHBondContact O-CB 3.46Å; S190-N194 PolarHBondContact O-N 2.85Å; S190-N194 VanDerWaalsContact O-N 3.13Å; S190-N194 PolarHBondContact O-ND2 2.74Å; S190-N194 VanDerWaalsContact O-ND2 3.17Å
191	L	98	Very high	97.7	Very high	24 Å²	24	59.3 Å²	59.3	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-70.9	-51.5	178.8	-176.5	157.2	0	0	0	109.8	A188 Q189 F193 N194 S195 E233 V247	A188-L191 WeakPolarHBondContact O-CB 3.31Å; A188-L191 PolarHBondContact O-N 2.81Å; Q189-L191 VanDerWaalsContact C-N 3.34Å; Q189-L191 PolarHBondContact O-N 2.77Å; L191-F193 VanDerWaalsContact C-N 3.3Å; L191-F193 PolarHBondContact O-N 2.88Å; L191-N194 PolarHBondContact O-N 3.06Å; L191-N194 VanDerWaalsContact O-N 3.1Å; L191-S195 PolarHBondContact O-N 3.3Å; L191-S195 PolarHBondContact O-OG 2.67Å; L191-E233 VanDerWaalsContact CD2-CD 3.42Å; L191-E233 HydrophobicContact CD2-CG 3.82Å; L191-E233 WeakPolarHBondContact CD2-OE2 3.49Å; L191-V247 HydrophobicContact CD1-CG1 3.86Å; L191-V247 HydrophobicContact CD2-CG1 4.37Å
192	Y	98.4	Very high	97.7	Very high	19 Å²	19	58.4 Å²	58.4	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-59.7	-38.2	177.2	-61.9	-13.8	0	0	0	112.8	E141 R142 A188 L196 W246	E141-Y192 HydrophobicContact CG-CE2 4.01Å; R142-Y192 HydrophobicContact CG-CD1 4.39Å; R142-Y192 HydrophobicContact CG-CD2 3.73Å; R142-Y192 HydrophobicContact CG-CE2 4Å; R142-Y192 HydrophobicContact CG-CG 3.93Å; R142-Y192 VanDerWaalsContact NH1-CD1 3.27Å; R142-Y192 VanDerWaalsContact NH1-CE1 3.31Å; A188-Y192 HydrophobicContact CB-CD1 4.19Å; A188-Y192 HydrophobicContact CB-CD2 4.18Å; A188-Y192 HydrophobicContact CB-CE1 3.77Å; A188-Y192 HydrophobicContact CB-CE2 3.77Å; A188-Y192 HydrophobicContact CB-CG 4.4Å; A188-Y192 PolarHBondContact O-N 3.16Å; Y192-L196 WeakPolarHBondContact O-CB 3.43Å; Y192-L196 PolarHBondContact O-N 3.22Å; Y192-W246 AromaticContact CZ-NE1 3.87Å; Y192-W246 PolarHBondContact OH-NE1 3.09Å
193	F	98.4	Very high	97.7	Very high	76 Å²	76	58.4 Å²	58.4	33%	0.333	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-41.5	175	177.5	-93.9	0	0	0	112.1	V164 L170 Q189 L191 L196 R197 W200	V164-F193 HydrophobicContact CG2-CZ 3.89Å; L170-F193 HydrophobicContact CD1-CE2 3.73Å; L170-F193 HydrophobicContact CD1-CZ 3.91Å; Q189-F193 WeakPolarHBondContact O-CB 3.32Å; Q189-F193 PolarHBondContact O-N 3.24Å; L191-F193 VanDerWaalsContact C-N 3.3Å; L191-F193 PolarHBondContact O-N 2.88Å; F193-L196 PolarHBondContact O-N 3.03Å; F193-R197 WeakPolarHBondContact O-CB 3.31Å; F193-R197 PolarHBondContact O-N 3.4Å; F193-W200 AromaticContact CE2-CH2 3.8Å; F193-W200 HydrophobicContact CE2-CH2 3.8Å; F193-W200 HydrophobicContact CE2-CZ3 4.47Å; F193-W200 AromaticContact CZ-CH2 3.84Å; F193-W200 HydrophobicContact CZ-CH2 3.84Å
194	N	98.3	Very high	97.7	Very high	92 Å²	92	54.9 Å²	54.9	49%	0.492	27%	0.265	S	S	.	.	H	α-helix	trans	-66.7	-42.7	178.4	-71.6	-20.7	0	0	0	111.8	S190 L191 R197 T198	S190-N194 WeakPolarHBondContact O-CB 3.46Å; S190-N194 PolarHBondContact O-N 2.85Å; S190-N194 VanDerWaalsContact O-N 3.13Å; S190-N194 PolarHBondContact O-ND2 2.74Å; S190-N194 VanDerWaalsContact O-ND2 3.17Å; L191-N194 PolarHBondContact O-N 3.06Å; L191-N194 VanDerWaalsContact O-N 3.1Å; N194-R197 WeakPolarHBondContact O-CB 3.42Å; N194-R197 PolarHBondContact O-N 3.4Å; N194-T198 PolarHBondContact O-N 3.15Å; N194-T198 PolarHBondContact O-OG1 3.17Å
195	S	98.7	Very high	97.6	Very high	21 Å²	21	58.4 Å²	58.4	15%	0.147	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-43.9	175.6	-50.7	0	0	0	0	111.8	Y146 L191 R197 T198 Y199 E233	Y146-S195 WeakPolarHBondContact OH-CB 3.4Å; L191-S195 PolarHBondContact O-N 3.3Å; L191-S195 PolarHBondContact O-OG 2.67Å; S195-R197 VanDerWaalsContact C-N 3.31Å; S195-R197 PolarHBondContact O-N 2.95Å; S195-T198 PolarHBondContact O-N 3.48Å; S195-Y199 PolarHBondContact O-N 3.16Å; S195-E233 VanDerWaalsContact CB-OE1 3.29Å; S195-E233 WeakPolarHBondContact CB-OE1 3.37Å; S195-E233 PolarHBondContact OG-OE1 2.92Å
196	L	98.8	Very high	97.5	Very high	12 Å²	12	64.8 Å²	64.8	6%	0.063	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-36.7	174.5	-173.1	72.3	0	0	0	112.2	Y145 Y146 V149 Y192 F193 Y199 W200	Y145-L196 HydrophobicContact CD1-CD2 4.38Å; Y145-L196 HydrophobicContact CG-CD2 4.22Å; Y146-L196 HydrophobicContact CD1-CD1 4.3Å; Y146-L196 HydrophobicContact CD2-CD1 3.73Å; Y146-L196 HydrophobicContact CE1-CD1 4.4Å; Y146-L196 HydrophobicContact CE2-CB 4.43Å; Y146-L196 HydrophobicContact CE2-CD1 3.85Å; Y146-L196 HydrophobicContact CG-CD1 3.98Å; V149-L196 HydrophobicContact CB-CD1 4.3Å; V149-L196 HydrophobicContact CG2-CD1 3.96Å; V149-L196 HydrophobicContact CG2-CD2 4.36Å; V149-L196 HydrophobicContact CG2-CG 4.23Å; Y192-L196 WeakPolarHBondContact O-CB 3.43Å; Y192-L196 PolarHBondContact O-N 3.22Å; F193-L196 PolarHBondContact O-N 3.03Å; L196-Y199 PolarHBondContact O-N 3.31Å; L196-W200 HydrophobicContact CD2-CE3 4.46Å; L196-W200 HydrophobicContact CD2-CZ3 4.09Å; L196-W200 HydrophobicContact CG-CE3 4.06Å; L196-W200 HydrophobicContact CG-CZ3 4.07Å; L196-W200 PolarHBondContact O-N 2.92Å
197	R	98.4	Very high	97.4	Very high	58 Å²	58	57.7 Å²	57.7	22%	0.219	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-46.9	174	176.8	166.1	-174.1	-148	0.4	111.9	E161 V164 F193 N194 S195 Y199 W200 Q201	E161-R197 IonicContact OE1-CZ 2.72Å; E161-R197 IonicContact OE1-NE 2.97Å; E161-R197 PolarHBondContact OE1-NE 3.08Å; E161-R197 IonicContact OE1-NH2 2.87Å; E161-R197 PolarHBondContact OE1-NH2 3.45Å; E161-R197 IonicContact OE2-CZ 3.53Å; E161-R197 IonicContact OE2-NE 2.64Å; E161-R197 PolarHBondContact OE2-NE 2.99Å; E161-R197 IonicContact OE2-NH2 3.39Å; V164-R197 VanDerWaalsContact CG1-CZ 3.44Å; F193-R197 WeakPolarHBondContact O-CB 3.31Å; F193-R197 PolarHBondContact O-N 3.4Å; N194-R197 WeakPolarHBondContact O-CB 3.42Å; N194-R197 PolarHBondContact O-N 3.4Å; S195-R197 VanDerWaalsContact C-N 3.31Å; S195-R197 PolarHBondContact O-N 2.95Å; R197-Y199 PolarHBondContact O-N 2.84Å; R197-W200 HydrophobicContact CB-CD2 4.36Å; R197-W200 HydrophobicContact CB-CH2 3.77Å; R197-W200 HydrophobicContact CB-CZ2 3.58Å; R197-W200 HydrophobicContact CB-CZ3 4.25Å; R197-W200 HydrophobicContact CG-CH2 4.22Å; R197-W200 HydrophobicContact CG-CZ2 3.51Å; R197-W200 PolarHBondContact O-N 2.67Å; R197-Q201 HydrophobicContact CG-CG 4.32Å; R197-Q201 WeakPolarHBondContact O-CB 3.43Å; R197-Q201 VanDerWaalsContact O-CG 3.27Å; R197-Q201 WeakPolarHBondContact O-CG 3.25Å; R197-Q201 PolarHBondContact O-N 3.03Å
198	T	98.7	Very high	97.2	Very high	64 Å²	64	55.5 Å²	55.5	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-56.8	-39.7	174.4	-50	0	0	0	0	110.8	N194 S195 Q201 E202	N194-T198 PolarHBondContact O-N 3.15Å; N194-T198 PolarHBondContact O-OG1 3.17Å; S195-T198 PolarHBondContact O-N 3.48Å; T198-Q201 PolarHBondContact O-N 3.45Å; T198-E202 WeakPolarHBondContact O-CG 3.41Å; T198-E202 PolarHBondContact O-N 3.22Å; T198-E202 VanDerWaalsContact O-N 3.09Å
199	Y	98.7	Very high	97	Very high	14 Å²	14	59.9 Å²	59.9	6%	0.055	32%	0.324	C	S	.	.	H	α-helix	trans	-65.4	-46.4	176.1	-176.7	-146.6	0	0	0	113.6	Y146 V149 S150 S195 L196 R197 Q201 E202 L203 R225	Y146-Y199 AromaticContact CD1-CD1 3.46Å; Y146-Y199 HydrophobicContact CD1-CD1 3.46Å; Y146-Y199 VanDerWaalsContact CD1-CD1 3.46Å; Y146-Y199 AromaticContact CD1-CE1 3.91Å; Y146-Y199 HydrophobicContact CD1-CE1 3.91Å; Y146-Y199 HydrophobicContact CD1-CG 4.31Å; Y146-Y199 AromaticContact CE1-CD1 3.96Å; Y146-Y199 HydrophobicContact CE1-CD1 3.96Å; Y146-Y199 HydrophobicContact CE1-CG 4.41Å; Y146-Y199 HydrophobicContact CG-CD1 4.34Å; V149-Y199 HydrophobicContact CG1-CD1 4.19Å; V149-Y199 HydrophobicContact CG1-CE1 4.47Å; S150-Y199 WeakPolarHBondContact OG-CE1 3.46Å; S150-Y199 PolarHBondContact OG-OH 2.81Å; S195-Y199 PolarHBondContact O-N 3.16Å; L196-Y199 PolarHBondContact O-N 3.31Å; R197-Y199 PolarHBondContact O-N 2.84Å; Y199-Q201 VanDerWaalsContact C-N 3.3Å; Y199-Q201 PolarHBondContact O-N 3.25Å; Y199-E202 PolarHBondContact O-N 3.2Å; Y199-L203 HydrophobicContact CD1-CD1 4.49Å; Y199-L203 HydrophobicContact CD2-CD1 4.32Å; Y199-L203 HydrophobicContact CD2-CG 4.09Å; Y199-L203 HydrophobicContact CE1-CD1 4.14Å; Y199-L203 HydrophobicContact CE2-CD1 3.94Å; Y199-L203 HydrophobicContact CE2-CD2 3.83Å; Y199-L203 HydrophobicContact CE2-CG 3.74Å; Y199-L203 WeakPolarHBondContact O-CG 3.32Å; Y199-L203 PolarHBondContact O-N 2.98Å; Y199-R225 HydrophobicContact CD1-CG 3.93Å; Y199-R225 HydrophobicContact CD2-CG 3.74Å; Y199-R225 HydrophobicContact CE1-CB 4.38Å; Y199-R225 HydrophobicContact CE1-CG 4.16Å; Y199-R225 HydrophobicContact CE2-CB 4.31Å; Y199-R225 HydrophobicContact CE2-CG 3.99Å; Y199-R225 HydrophobicContact CG-CG 3.72Å
200	W	98.2	Very high	96.7	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-68.6	-29.6	178.4	76.1	59.2	0	0	0	112.9	V149 L157 E161 V164 F193 L196 R197 L203 I204	V149-W200 HydrophobicContact CG1-CB 3.74Å; V149-W200 HydrophobicContact CG2-CE3 4.39Å; L157-W200 HydrophobicContact CD2-CB 3.81Å; E161-W200 PolarHBondContact OE2-NE1 2.77Å; V164-W200 HydrophobicContact CG2-CH2 4.31Å; V164-W200 HydrophobicContact CG2-CZ2 3.84Å; F193-W200 AromaticContact CE2-CH2 3.8Å; F193-W200 HydrophobicContact CE2-CH2 3.8Å; F193-W200 HydrophobicContact CE2-CZ3 4.47Å; F193-W200 AromaticContact CZ-CH2 3.84Å; F193-W200 HydrophobicContact CZ-CH2 3.84Å; L196-W200 HydrophobicContact CD2-CE3 4.46Å; L196-W200 HydrophobicContact CD2-CZ3 4.09Å; L196-W200 HydrophobicContact CG-CE3 4.06Å; L196-W200 HydrophobicContact CG-CZ3 4.07Å; L196-W200 PolarHBondContact O-N 2.92Å; R197-W200 HydrophobicContact CB-CD2 4.36Å; R197-W200 HydrophobicContact CB-CH2 3.77Å; R197-W200 HydrophobicContact CB-CZ2 3.58Å; R197-W200 HydrophobicContact CB-CZ3 4.25Å; R197-W200 HydrophobicContact CG-CH2 4.22Å; R197-W200 HydrophobicContact CG-CZ2 3.51Å; R197-W200 PolarHBondContact O-N 2.67Å; W200-L203 PolarHBondContact O-N 3.2Å; W200-I204 WeakPolarHBondContact O-CG1 3.37Å; W200-I204 PolarHBondContact O-N 2.99Å
201	Q	98.5	Very high	96.3	Very high	66 Å²	66	58.2 Å²	58.2	31%	0.308	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-46.5	172.1	-72.8	170.3	-32.4	0	0	110.9	E161 R197 T198 Y199 L203 I204 D205	E161-Q201 HydrophobicContact CG-CG 4.4Å; E161-Q201 PolarHBondContact OE1-NE2 2.86Å; R197-Q201 HydrophobicContact CG-CG 4.32Å; R197-Q201 WeakPolarHBondContact O-CB 3.43Å; R197-Q201 VanDerWaalsContact O-CG 3.27Å; R197-Q201 WeakPolarHBondContact O-CG 3.25Å; R197-Q201 PolarHBondContact O-N 3.03Å; T198-Q201 PolarHBondContact O-N 3.45Å; Y199-Q201 VanDerWaalsContact C-N 3.3Å; Y199-Q201 PolarHBondContact O-N 3.25Å; Q201-L203 VanDerWaalsContact C-N 3.31Å; Q201-L203 PolarHBondContact O-N 2.96Å; Q201-I204 WeakPolarHBondContact O-CB 3.37Å; Q201-I204 PolarHBondContact O-N 3.36Å; Q201-I204 VanDerWaalsContact O-N 3.17Å; Q201-D205 PolarHBondContact O-N 2.83Å; Q201-D205 VanDerWaalsContact O-N 3.14Å
202	E	98.1	Very high	96	Very high	78 Å²	78	63.4 Å²	63.4	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-33.3	173.7	-71.7	170.3	-122.5	0	0	112.9	T198 Y199 D205 L206 R225	T198-E202 WeakPolarHBondContact O-CG 3.41Å; T198-E202 PolarHBondContact O-N 3.22Å; T198-E202 VanDerWaalsContact O-N 3.09Å; Y199-E202 PolarHBondContact O-N 3.2Å; E202-D205 PolarHBondContact O-N 3.13Å; E202-L206 WeakPolarHBondContact O-CB 3.41Å; E202-L206 WeakPolarHBondContact O-CD1 3.27Å; E202-L206 WeakPolarHBondContact O-CG 3.48Å; E202-L206 PolarHBondContact O-N 2.93Å; E202-L206 VanDerWaalsContact O-N 3.11Å; E202-R225 IonicContact OE1-CZ 3.04Å; E202-R225 VanDerWaalsContact OE1-CZ 3.27Å; E202-R225 IonicContact OE1-NH1 3.05Å; E202-R225 PolarHBondContact OE1-NH1 3.27Å; E202-R225 IonicContact OE1-NH2 2.75Å; E202-R225 PolarHBondContact OE1-NH2 3.34Å; E202-R225 IonicContact OE2-CZ 2.87Å; E202-R225 IonicContact OE2-NH1 3.31Å; E202-R225 PolarHBondContact OE2-NH1 3.42Å; E202-R225 IonicContact OE2-NH2 3.58Å
203	L	97.8	Very high	95.7	Very high	25 Å²	25	64.4 Å²	64.4	13%	0.131	37%	0.369	C	S	.	.	H	α-helix	trans	-68.3	-33.6	173.5	-69.5	174.3	0	0	0	112.7	V149 L157 Y199 W200 Q201 L206 T207	V149-L203 HydrophobicContact CG1-CD1 3.71Å; L157-L203 HydrophobicContact CD1-CB 3.84Å; L157-L203 HydrophobicContact CD2-CD1 4.45Å; Y199-L203 HydrophobicContact CD1-CD1 4.49Å; Y199-L203 HydrophobicContact CD2-CD1 4.32Å; Y199-L203 HydrophobicContact CD2-CG 4.09Å; Y199-L203 HydrophobicContact CE1-CD1 4.14Å; Y199-L203 HydrophobicContact CE2-CD1 3.94Å; Y199-L203 HydrophobicContact CE2-CD2 3.83Å; Y199-L203 HydrophobicContact CE2-CG 3.74Å; Y199-L203 WeakPolarHBondContact O-CG 3.32Å; Y199-L203 PolarHBondContact O-N 2.98Å; W200-L203 PolarHBondContact O-N 3.2Å; Q201-L203 VanDerWaalsContact C-N 3.31Å; Q201-L203 PolarHBondContact O-N 2.96Å; L203-L206 PolarHBondContact O-N 2.85Å; L203-T207 WeakPolarHBondContact O-CB 3.17Å; L203-T207 WeakPolarHBondContact O-CG2 3.37Å; L203-T207 PolarHBondContact O-N 2.85Å; L203-T207 PolarHBondContact O-OG1 2.9Å
204	I	97.7	Very high	95.5	Very high	31 Å²	31	64.7 Å²	64.7	16%	0.159	37%	0.374	C	S	.	.	H	α-helix	trans	-63.9	-43.4	172.5	-67.1	162.8	0	0	0	110.2	H154 L157 E161 W200 Q201 L206	H154-I204 PolarHBondContact CE1-O 2.76Å; L157-I204 HydrophobicContact CB-CD1 4.11Å; L157-I204 HydrophobicContact CB-CG1 3.59Å; E161-I204 HydrophobicContact CB-CD1 3.86Å; E161-I204 HydrophobicContact CG-CD1 4.35Å; W200-I204 WeakPolarHBondContact O-CG1 3.37Å; W200-I204 PolarHBondContact O-N 2.99Å; Q201-I204 WeakPolarHBondContact O-CB 3.37Å; Q201-I204 PolarHBondContact O-N 3.36Å; Q201-I204 VanDerWaalsContact O-N 3.17Å; I204-L206 VanDerWaalsContact C-N 3.26Å; I204-L206 PolarHBondContact O-N 2.88Å
205	D	96.9	Very high	95.5	Very high	143 Å²	143	61.7 Å²	61.7	77%	0.765	36%	0.359	S	S	*	.	H	α-helix	trans	-68.2	-22	178.2	-75.7	-21.3	0	0	0	113.6	Q201 E202	Q201-D205 PolarHBondContact O-N 2.83Å; Q201-D205 VanDerWaalsContact O-N 3.14Å; E202-D205 PolarHBondContact O-N 3.13Å
206	L	93.7	Very high	95.5	Very high	141 Å²	141	66.4 Å²	66.4	74%	0.738	37%	0.373	S	S	*	.	H	α-helix	trans	-101.6	-16.5	-176.1	-71.1	171.3	0	0	0	115.1	E202 L203 I204	E202-L206 WeakPolarHBondContact O-CB 3.41Å; E202-L206 WeakPolarHBondContact O-CD1 3.27Å; E202-L206 WeakPolarHBondContact O-CG 3.48Å; E202-L206 PolarHBondContact O-N 2.93Å; E202-L206 VanDerWaalsContact O-N 3.11Å; L203-L206 PolarHBondContact O-N 2.85Å; I204-L206 VanDerWaalsContact C-N 3.26Å; I204-L206 PolarHBondContact O-N 2.88Å
207	T	93.4	Very high	95.5	Very high	43 Å²	43	71.6 Å²	71.6	26%	0.264	40%	0.397	S	S	.	.			trans	-111.6	156.8	-176.7	57.8	0	0	0	0	112.1	H154 L203	H154-T207 PolarHBondContact CE1-O 2.74Å; H154-T207 VanDerWaalsContact CE1-O 3.22Å; H154-T207 PolarHBondContact ND1-O 2.83Å; H154-T207 PolarHBondContact ND1-OG1 3.42Å; L203-T207 WeakPolarHBondContact O-CB 3.17Å; L203-T207 WeakPolarHBondContact O-CG2 3.37Å; L203-T207 PolarHBondContact O-N 2.85Å; L203-T207 PolarHBondContact O-OG1 2.9Å
208	S	92.2	Very high	95.5	Very high	66 Å²	66	69 Å²	69	46%	0.462	39%	0.389	S	S	.	.			trans	-110.1	152.5	175.2	-59.5	0	0	0	0	112.3	G210 D211	S208-G210 PolarHBondContact O-N 2.83Å; S208-D211 WeakPolarHBondContact CA-OD2 3.26Å; S208-D211 WeakPolarHBondContact CB-OD2 3.43Å; S208-D211 PolarHBondContact N-OD2 3.43Å; S208-D211 WeakPolarHBondContact O-CB 3.45Å; S208-D211 PolarHBondContact O-N 3.05Å
209	P	92.1	Very high	95.5	Very high	93 Å²	93	66 Å²	66	60%	0.604	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	123.3	170.3	-23.7	32.1	0	0	0	111.9
210	G	88.2	Confident	95.5	Very high	70 Å²	70	66.7 Å²	66.7	72%	0.722	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	-7	-176.9	0	0	0	0	0	115.4	S208	S208-G210 PolarHBondContact O-N 2.83Å
211	D	89.9	Confident	95.5	Very high	85 Å²	85	70 Å²	70	46%	0.455	39%	0.392	S	S	.	.			trans	-66.3	138.7	169.8	-69.9	-21.8	0	0	0	110.7	S208	S208-D211 WeakPolarHBondContact CA-OD2 3.26Å; S208-D211 WeakPolarHBondContact CB-OD2 3.43Å; S208-D211 PolarHBondContact N-OD2 3.43Å; S208-D211 WeakPolarHBondContact O-CB 3.45Å; S208-D211 PolarHBondContact O-N 3.05Å
212	V	89.9	Confident	95.5	Very high	133 Å²	133	66.8 Å²	66.8	81%	0.806	38%	0.377	S	S	*	.			trans	-105.2	117.9	174.4	179.8	0	0	0	0	108.1	D214	V212-D214 PolarHBondContact O-N 3.09Å
213	P	92.4	Very high	95.5	Very high	40 Å²	40	63.1 Å²	63.1	26%	0.26	36%	0.36	S	S	.	.			trans	-61.2	125.1	179.5	-24.6	34.2	0	0	0	112.5	S150 L152 T215	S150-P213 WeakPolarHBondContact O-CB 3.38Å; L152-P213 WeakPolarHBondContact O-CG 3.37Å; P213-T215 PolarHBondContact O-N 2.72Å
214	D	96.1	Very high	95.6	Very high	81 Å²	81	65.8 Å²	65.8	43%	0.433	37%	0.371	S	S	.	.			trans	-68	129.4	169.5	175.2	-98.7	0	0	0	110	V212 R216 E217 A218	V212-D214 PolarHBondContact O-N 3.09Å; D214-R216 VanDerWaalsContact C-N 3.31Å; D214-R216 PolarHBondContact O-N 2.88Å; D214-R216 WeakPolarHBondContact OD1-CA 3.43Å; D214-R216 VanDerWaalsContact OD1-CB 3.25Å; D214-R216 WeakPolarHBondContact OD1-CB 3.36Å; D214-R216 PolarHBondContact OD1-N 3.27Å; D214-E217 HydrophobicContact CB-CB 4.31Å; D214-E217 HydrophobicContact CB-CG 4.45Å; D214-E217 PolarHBondContact O-N 3.3Å; D214-E217 PolarHBondContact OD1-N 3.24Å; D214-A218 WeakPolarHBondContact O-CB 3.47Å; D214-A218 PolarHBondContact O-N 2.76Å
215	T	97.6	Very high	95.6	Very high	29 Å²	29	65.9 Å²	65.9	18%	0.178	37%	0.369	C	S	.	.	H	α-helix	trans	-68.8	-30	-174.4	-62.4	0	0	0	0	112.5	L151 P213 L219 Y268	L151-T215 HydrophobicContact CD2-CG2 4.24Å; P213-T215 PolarHBondContact O-N 2.72Å; T215-L219 HydrophobicContact CG2-CD1 4.16Å; T215-L219 WeakPolarHBondContact O-CB 3.33Å; T215-L219 WeakPolarHBondContact O-CD1 3.43Å; T215-L219 VanDerWaalsContact O-CG 3.26Å; T215-L219 WeakPolarHBondContact O-CG 3.18Å; T215-L219 PolarHBondContact O-N 3.4Å; T215-L219 VanDerWaalsContact O-N 3.1Å; T215-Y268 HydrophobicContact CG2-CD1 4.21Å; T215-Y268 HydrophobicContact CG2-CD2 3.56Å; T215-Y268 HydrophobicContact CG2-CE1 4.25Å; T215-Y268 HydrophobicContact CG2-CE2 3.61Å; T215-Y268 HydrophobicContact CG2-CG 3.87Å
216	R	98.4	Very high	95.7	Very high	121 Å²	121	59.1 Å²	59.1	46%	0.457	33%	0.333	S	S	.	.	H	α-helix	trans	-75.1	-42.8	179.6	175.4	172.9	-164.6	-70.9	-5.9	111.2	D214 L220 Y268 I384	D214-R216 VanDerWaalsContact C-N 3.31Å; D214-R216 PolarHBondContact O-N 2.88Å; D214-R216 WeakPolarHBondContact OD1-CA 3.43Å; D214-R216 VanDerWaalsContact OD1-CB 3.25Å; D214-R216 WeakPolarHBondContact OD1-CB 3.36Å; D214-R216 PolarHBondContact OD1-N 3.27Å; R216-L220 WeakPolarHBondContact O-CB 3.36Å; R216-L220 PolarHBondContact O-N 3.37Å; R216-L220 VanDerWaalsContact O-N 3.08Å; R216-Y268 HydrophobicContact CB-CE1 4.31Å; R216-I384 HydrophobicContact CB-CG2 4.28Å; R216-I384 HydrophobicContact CG-CB 3.92Å; R216-I384 HydrophobicContact CG-CG1 4.15Å; R216-I384 HydrophobicContact CG-CG2 3.79Å
217	E	97.8	Very high	96	Very high	120 Å²	120	53.3 Å²	53.3	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-69	-38.9	173.4	-66.2	-167	164.9	0	0	111.9	D214 L219 L220 N221	D214-E217 HydrophobicContact CB-CB 4.31Å; D214-E217 HydrophobicContact CB-CG 4.45Å; D214-E217 PolarHBondContact O-N 3.3Å; D214-E217 PolarHBondContact OD1-N 3.24Å; E217-L219 PolarHBondContact O-N 2.94Å; E217-L220 PolarHBondContact O-N 3.08Å; E217-N221 VanDerWaalsContact O-CB 3.25Å; E217-N221 WeakPolarHBondContact O-CB 3.48Å; E217-N221 PolarHBondContact O-N 3.09Å; E217-N221 PolarHBondContact O-ND2 2.85Å; E217-N221 VanDerWaalsContact O-ND2 3.13Å
218	A	98.3	Very high	96.2	Very high	5 Å²	5	55.3 Å²	55.3	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-47.5	174.3	0	0	0	0	0	112.2	S150 L151 D214 A222	S150-A218 WeakPolarHBondContact O-CB 3.36Å; L151-A218 HydrophobicContact CD2-CB 3.57Å; L151-A218 HydrophobicContact CG-CB 4Å; D214-A218 WeakPolarHBondContact O-CB 3.47Å; D214-A218 PolarHBondContact O-N 2.76Å; A218-A222 VanDerWaalsContact O-CB 3.22Å; A218-A222 WeakPolarHBondContact O-CB 3.33Å; A218-A222 PolarHBondContact O-N 2.83Å
219	L	98.8	Very high	96.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-46.6	174.8	-74.4	165.9	0	0	0	112	I147 T215 E217 N221 F223 H261 Y268 A270 I384	I147-L219 HydrophobicContact CD1-CD2 3.89Å; I147-L219 HydrophobicContact CG1-CD2 4.07Å; I147-L219 HydrophobicContact CG2-CD2 3.68Å; T215-L219 HydrophobicContact CG2-CD1 4.16Å; T215-L219 WeakPolarHBondContact O-CB 3.33Å; T215-L219 WeakPolarHBondContact O-CD1 3.43Å; T215-L219 VanDerWaalsContact O-CG 3.26Å; T215-L219 WeakPolarHBondContact O-CG 3.18Å; T215-L219 PolarHBondContact O-N 3.4Å; T215-L219 VanDerWaalsContact O-N 3.1Å; E217-L219 PolarHBondContact O-N 2.94Å; L219-N221 PolarHBondContact O-N 2.87Å; L219-F223 WeakPolarHBondContact O-CD2 3.38Å; L219-F223 PolarHBondContact O-N 3.26Å; L219-H261 HydrophobicContact CD1-CB 4.42Å; L219-H261 HydrophobicContact CD2-CB 4.4Å; L219-Y268 HydrophobicContact CD1-CD1 4.45Å; L219-Y268 HydrophobicContact CD1-CG 4.2Å; L219-A270 HydrophobicContact CB-CB 4.4Å; L219-A270 HydrophobicContact CD2-CB 4.29Å; L219-I384 HydrophobicContact CB-CD1 3.72Å; L219-I384 HydrophobicContact CD1-CG2 4.4Å
220	L	98.7	Very high	96.9	Very high	28 Å²	28	48.2 Å²	48.2	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-47	179.3	-167.5	79.3	0	0	0	111.6	R216 E217 K224 E381 P382 I384	R216-L220 WeakPolarHBondContact O-CB 3.36Å; R216-L220 PolarHBondContact O-N 3.37Å; R216-L220 VanDerWaalsContact O-N 3.08Å; E217-L220 PolarHBondContact O-N 3.08Å; L220-K224 HydrophobicContact CG-CD 4.02Å; L220-K224 WeakPolarHBondContact O-CD 3.48Å; L220-K224 VanDerWaalsContact O-CG 3.25Å; L220-K224 WeakPolarHBondContact O-CG 3.18Å; L220-K224 PolarHBondContact O-N 3.09Å; L220-E381 HydrophobicContact CD1-CG 3.73Å; L220-E381 HydrophobicContact CG-CG 4.48Å; L220-P382 HydrophobicContact CD1-CG 4.29Å; L220-I384 HydrophobicContact CD1-CG1 4.43Å
221	N	98.5	Very high	97.4	Very high	71 Å²	71	45.8 Å²	45.8	38%	0.38	24%	0.236	S	C	.	.	H	α-helix	trans	-71.8	-39.9	-177.1	-69.8	-30	0	0	0	111.9	E217 L219 F223 K224 R225	E217-N221 VanDerWaalsContact O-CB 3.25Å; E217-N221 WeakPolarHBondContact O-CB 3.48Å; E217-N221 PolarHBondContact O-N 3.09Å; E217-N221 PolarHBondContact O-ND2 2.85Å; E217-N221 VanDerWaalsContact O-ND2 3.13Å; L219-N221 PolarHBondContact O-N 2.87Å; N221-F223 PolarHBondContact O-N 3.07Å; N221-K224 PolarHBondContact O-N 3.43Å; N221-R225 WeakPolarHBondContact O-CB 3.3Å; N221-R225 PolarHBondContact O-N 3.5Å
222	A	98.9	Very high	97.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-44.2	176.6	0	0	0	0	0	113	I147 A218 L226	I147-A222 HydrophobicContact CB-CB 4.21Å; I147-A222 HydrophobicContact CG1-CB 3.58Å; A218-A222 VanDerWaalsContact O-CB 3.22Å; A218-A222 WeakPolarHBondContact O-CB 3.33Å; A218-A222 PolarHBondContact O-N 2.83Å; A222-L226 PolarHBondContact O-N 2.89Å
223	F	98.9	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-53.4	175.7	-84.6	-125.6	0	0	0	111.1	L143 I147 L219 N221 R225 L226 D227 A257 V259 A270 A272 F336 P382	L143-F223 HydrophobicContact CD1-CD2 3.86Å; L143-F223 HydrophobicContact CD1-CE2 4.33Å; L143-F223 HydrophobicContact CD1-CG 4.2Å; L143-F223 HydrophobicContact CD2-CD1 4.4Å; L143-F223 HydrophobicContact CD2-CD2 4.03Å; L143-F223 HydrophobicContact CD2-CE1 4.15Å; L143-F223 HydrophobicContact CD2-CE2 3.76Å; L143-F223 HydrophobicContact CD2-CG 4.36Å; L143-F223 HydrophobicContact CD2-CZ 3.82Å; L143-F223 HydrophobicContact CG-CD2 4.36Å; L143-F223 HydrophobicContact CG-CE2 4.33Å; I147-F223 HydrophobicContact CD1-CE2 4.02Å; L219-F223 WeakPolarHBondContact O-CD2 3.38Å; L219-F223 PolarHBondContact O-N 3.26Å; N221-F223 PolarHBondContact O-N 3.07Å; F223-R225 VanDerWaalsContact C-N 3.27Å; F223-R225 PolarHBondContact O-N 3.09Å; F223-L226 PolarHBondContact O-N 3.16Å; F223-D227 PolarHBondContact O-N 2.8Å; F223-D227 VanDerWaalsContact O-N 3.16Å; F223-A257 HydrophobicContact CE1-CB 3.8Å; F223-A257 HydrophobicContact CZ-CB 4.29Å; F223-V259 HydrophobicContact CE2-CG2 4.43Å; F223-V259 HydrophobicContact CZ-CB 4.13Å; F223-V259 HydrophobicContact CZ-CG2 3.92Å; F223-A270 HydrophobicContact CE1-CB 4.34Å; F223-A270 HydrophobicContact CE2-CB 3.6Å; F223-A270 HydrophobicContact CZ-CB 3.48Å; F223-A270 VanDerWaalsContact CZ-CB 3.48Å; F223-A272 HydrophobicContact CD1-CB 4.31Å; F223-A272 HydrophobicContact CE1-CB 4.27Å; F223-F336 HydrophobicContact CB-CZ 3.84Å; F223-F336 AromaticContact CD1-CE2 3.53Å; F223-F336 HydrophobicContact CD1-CE2 3.53Å; F223-F336 AromaticContact CD1-CZ 3.46Å; F223-F336 HydrophobicContact CD1-CZ 3.46Å; F223-F336 VanDerWaalsContact CD1-CZ 3.46Å; F223-F336 AromaticContact CE1-CE2 3.98Å; F223-F336 HydrophobicContact CE1-CE2 3.98Å; F223-F336 HydrophobicContact CE1-CZ 4.23Å; F223-F336 HydrophobicContact CG-CE2 4.27Å; F223-F336 AromaticContact CG-CZ 3.72Å; F223-F336 HydrophobicContact CG-CZ 3.72Å; F223-F336 VanDerWaalsContact O-CE1 3.25Å; F223-F336 WeakPolarHBondContact O-CE1 3.41Å; F223-P382 HydrophobicContact CB-CG 3.93Å; F223-P382 HydrophobicContact CD1-CB 3.73Å; F223-P382 HydrophobicContact CD1-CG 3.64Å; F223-P382 HydrophobicContact CD2-CG 4.09Å; F223-P382 HydrophobicContact CE1-CB 3.76Å; F223-P382 HydrophobicContact CE1-CG 4.08Å; F223-P382 HydrophobicContact CE2-CG 4.47Å; F223-P382 HydrophobicContact CG-CB 4.25Å; F223-P382 HydrophobicContact CG-CG 3.65Å; F223-P382 HydrophobicContact CZ-CB 4.3Å; F223-P382 HydrophobicContact CZ-CG 4.47Å
224	K	98.8	Very high	98.4	Very high	82 Å²	82	38.2 Å²	38.2	36%	0.357	19%	0.188	S	C	.	.	H	α-helix	trans	-60.1	-37.5	-178.7	-69	167.1	74.8	151.9	0	112	L220 N221 N228 E381	L220-K224 HydrophobicContact CG-CD 4.02Å; L220-K224 WeakPolarHBondContact O-CD 3.48Å; L220-K224 VanDerWaalsContact O-CG 3.25Å; L220-K224 WeakPolarHBondContact O-CG 3.18Å; L220-K224 PolarHBondContact O-N 3.09Å; N221-K224 PolarHBondContact O-N 3.43Å; K224-N228 WeakPolarHBondContact O-CB 3.45Å; K224-N228 PolarHBondContact O-N 3.49Å; K224-N228 VanDerWaalsContact O-N 3.17Å; K224-E381 HydrophobicContact CD-CB 4.2Å; K224-E381 HydrophobicContact CD-CG 3.87Å; K224-E381 WeakPolarHBondContact CD-OE2 3.16Å; K224-E381 WeakPolarHBondContact CE-OE2 3.25Å; K224-E381 HydrophobicContact CG-CB 4Å; K224-E381 HydrophobicContact CG-CG 4.19Å; K224-E381 IonicContact NZ-OE1 3.51Å; K224-E381 PolarHBondContact NZ-OE1 2.72Å; K224-E381 VanDerWaalsContact NZ-OE1 3.07Å; K224-E381 IonicContact NZ-OE2 3.18Å; K224-E381 PolarHBondContact NZ-OE2 2.64Å
225	R	98.9	Very high	98.4	Very high	33 Å²	33	37.9 Å²	37.9	13%	0.125	18%	0.183	C	C	.	.	H	α-helix	trans	-69	-47.6	177.5	178	54.5	179.9	-112.1	12.9	112.2	Y146 Y199 E202 N221 F223 D227 N228 D229	Y146-R225 HydrophobicContact CD1-CB 4.33Å; Y146-R225 HydrophobicContact CD1-CG 3.87Å; Y146-R225 HydrophobicContact CE1-CG 3.79Å; Y199-R225 HydrophobicContact CD1-CG 3.93Å; Y199-R225 HydrophobicContact CD2-CG 3.74Å; Y199-R225 HydrophobicContact CE1-CB 4.38Å; Y199-R225 HydrophobicContact CE1-CG 4.16Å; Y199-R225 HydrophobicContact CE2-CB 4.31Å; Y199-R225 HydrophobicContact CE2-CG 3.99Å; Y199-R225 HydrophobicContact CG-CG 3.72Å; E202-R225 IonicContact OE1-CZ 3.04Å; E202-R225 VanDerWaalsContact OE1-CZ 3.27Å; E202-R225 IonicContact OE1-NH1 3.05Å; E202-R225 PolarHBondContact OE1-NH1 3.27Å; E202-R225 IonicContact OE1-NH2 2.75Å; E202-R225 PolarHBondContact OE1-NH2 3.34Å; E202-R225 IonicContact OE2-CZ 2.87Å; E202-R225 IonicContact OE2-NH1 3.31Å; E202-R225 PolarHBondContact OE2-NH1 3.42Å; E202-R225 IonicContact OE2-NH2 3.58Å; N221-R225 WeakPolarHBondContact O-CB 3.3Å; N221-R225 PolarHBondContact O-N 3.5Å; F223-R225 VanDerWaalsContact C-N 3.27Å; F223-R225 PolarHBondContact O-N 3.09Å; R225-D227 VanDerWaalsContact C-N 3.32Å; R225-D227 PolarHBondContact O-N 2.69Å; R225-N228 WeakPolarHBondContact O-CB 3.47Å; R225-N228 PolarHBondContact O-N 3.06Å; R225-N228 VanDerWaalsContact O-N 3.12Å; R225-D229 IonicContact CZ-OD1 3.42Å; R225-D229 IonicContact NE-OD1 3.8Å; R225-D229 PolarHBondContact NE-OD1 3.47Å; R225-D229 IonicContact NE-OD2 2.68Å; R225-D229 PolarHBondContact NE-OD2 2.87Å; R225-D229 IonicContact NH2-OD1 3.56Å; R225-D229 PolarHBondContact O-N 3.08Å
226	L	98.9	Very high	98.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-39.1	-179.9	174.6	60.6	0	0	0	112.1	L139 R142 L143 Y146 A222 F223 N228 D229 I230 F336	L139-L226 HydrophobicContact CD2-CD2 3.71Å; L139-L226 HydrophobicContact CD2-CG 4.35Å; R142-L226 HydrophobicContact CB-CD1 3.9Å; R142-L226 HydrophobicContact CB-CD2 3.91Å; R142-L226 VanDerWaalsContact CZ-CD1 3.47Å; L143-L226 HydrophobicContact CB-CD2 3.69Å; L143-L226 HydrophobicContact CD1-CB 4.29Å; L143-L226 HydrophobicContact CD1-CD2 3.84Å; L143-L226 HydrophobicContact CG-CD2 4.32Å; Y146-L226 HydrophobicContact CD1-CB 4.24Å; Y146-L226 HydrophobicContact CD2-CB 4.39Å; Y146-L226 HydrophobicContact CD2-CD1 4.21Å; Y146-L226 HydrophobicContact CE1-CB 4.47Å; Y146-L226 HydrophobicContact CE2-CD1 3.81Å; Y146-L226 HydrophobicContact CG-CB 4.2Å; A222-L226 PolarHBondContact O-N 2.89Å; F223-L226 PolarHBondContact O-N 3.16Å; L226-N228 VanDerWaalsContact C-N 3.32Å; L226-N228 PolarHBondContact O-N 2.92Å; L226-D229 PolarHBondContact O-N 2.7Å; L226-I230 HydrophobicContact CD1-CD1 3.96Å; L226-I230 HydrophobicContact CD1-CG1 4.09Å; L226-I230 HydrophobicContact CG-CD1 3.92Å; L226-I230 HydrophobicContact CG-CG1 4.5Å; L226-I230 WeakPolarHBondContact O-CB 3.32Å; L226-I230 VanDerWaalsContact O-CG1 3.28Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 2.92Å; L226-F336 HydrophobicContact CB-CE1 4.11Å; L226-F336 HydrophobicContact CD2-CE1 4.25Å; L226-F336 HydrophobicContact CG-CE1 4.19Å
227	D	98.9	Very high	97.8	Very high	20 Å²	20	37.5 Å²	37.5	11%	0.107	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-35.2	175.1	-166.1	55.1	0	0	0	112.3	F223 R225 S231 F336 G337 K342 A380	F223-D227 PolarHBondContact O-N 2.8Å; F223-D227 VanDerWaalsContact O-N 3.16Å; R225-D227 VanDerWaalsContact C-N 3.32Å; R225-D227 PolarHBondContact O-N 2.69Å; D227-S231 WeakPolarHBondContact O-CB 3.49Å; D227-S231 PolarHBondContact O-N 3.4Å; D227-F336 HydrophobicContact CB-CD1 3.71Å; D227-F336 HydrophobicContact CB-CE1 4.08Å; D227-F336 VanDerWaalsContact OD1-CA 3.29Å; D227-F336 WeakPolarHBondContact OD1-CA 3.46Å; D227-G337 PolarHBondContact OD1-N 2.73Å; D227-K342 IonicContact OD1-NZ 2.8Å; D227-K342 PolarHBondContact OD1-NZ 3.29Å; D227-K342 IonicContact OD2-NZ 3.69Å; D227-K342 PolarHBondContact OD2-NZ 3.27Å; D227-A380 HydrophobicContact CB-CB 3.52Å; D227-A380 VanDerWaalsContact CG-CB 3.49Å
228	N	98.9	Very high	97.5	Very high	84 Å²	84	34.9 Å²	34.9	45%	0.449	19%	0.186	S	C	.	.	H	α-helix	trans	-67.3	-45.4	173.9	-165.8	-104.1	0	0	0	112.1	K224 R225 L226 S231 L232	K224-N228 WeakPolarHBondContact O-CB 3.45Å; K224-N228 PolarHBondContact O-N 3.49Å; K224-N228 VanDerWaalsContact O-N 3.17Å; R225-N228 WeakPolarHBondContact O-CB 3.47Å; R225-N228 PolarHBondContact O-N 3.06Å; R225-N228 VanDerWaalsContact O-N 3.12Å; L226-N228 VanDerWaalsContact C-N 3.32Å; L226-N228 PolarHBondContact O-N 2.92Å; N228-S231 CarbonylContact O-C 3.58Å; N228-S231 WeakPolarHBondContact O-CB 3.47Å; N228-S231 PolarHBondContact O-N 2.89Å; N228-L232 WeakPolarHBondContact O-CG 3.48Å; N228-L232 PolarHBondContact O-N 3.02Å; N228-L232 WeakPolarHBondContact OD1-CD1 3.2Å
229	D	98.9	Very high	97	Very high	9 Å²	9	40 Å²	40	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-46.8	176	-78.9	-1.4	0	0	0	111.2	Y146 R225 L226 S231 L232 E233	Y146-D229 WeakPolarHBondContact CE1-OD2 3.36Å; Y146-D229 VanDerWaalsContact CZ-OD2 3.26Å; Y146-D229 PolarHBondContact OH-OD2 3.07Å; R225-D229 IonicContact CZ-OD1 3.42Å; R225-D229 IonicContact NE-OD1 3.8Å; R225-D229 PolarHBondContact NE-OD1 3.47Å; R225-D229 IonicContact NE-OD2 2.68Å; R225-D229 PolarHBondContact NE-OD2 2.87Å; R225-D229 IonicContact NH2-OD1 3.56Å; R225-D229 PolarHBondContact O-N 3.08Å; L226-D229 PolarHBondContact O-N 2.7Å; D229-S231 VanDerWaalsContact C-N 3.25Å; D229-S231 PolarHBondContact O-N 3.37Å; D229-L232 PolarHBondContact O-N 3.09Å; D229-L232 VanDerWaalsContact O-N 3.08Å; D229-E233 WeakPolarHBondContact O-CB 3.5Å; D229-E233 WeakPolarHBondContact O-CG 3.38Å; D229-E233 PolarHBondContact O-N 2.99Å
230	I	98.8	Very high	96.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-54.7	-44	173.7	-75	167.1	0	0	0	111	L139 L226 A234 V250 A251	L139-I230 HydrophobicContact CD2-CD1 4.05Å; L226-I230 HydrophobicContact CD1-CD1 3.96Å; L226-I230 HydrophobicContact CD1-CG1 4.09Å; L226-I230 HydrophobicContact CG-CD1 3.92Å; L226-I230 HydrophobicContact CG-CG1 4.5Å; L226-I230 WeakPolarHBondContact O-CB 3.32Å; L226-I230 VanDerWaalsContact O-CG1 3.28Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 2.92Å; I230-A234 WeakPolarHBondContact O-CB 3.49Å; I230-A234 PolarHBondContact O-N 2.87Å; I230-V250 HydrophobicContact CD1-CG1 4.09Å; I230-V250 HydrophobicContact CG1-CG1 4Å; I230-V250 HydrophobicContact CG2-CG1 3.9Å; I230-A251 HydrophobicContact CG2-CB 3.95Å
231	S	98.7	Very high	96.4	Very high	20 Å²	20	44.9 Å²	44.9	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-39	176.4	160.8	0	0	0	0	112.7	D227 N228 D229 Q235 W343	D227-S231 WeakPolarHBondContact O-CB 3.49Å; D227-S231 PolarHBondContact O-N 3.4Å; N228-S231 CarbonylContact O-C 3.58Å; N228-S231 WeakPolarHBondContact O-CB 3.47Å; N228-S231 PolarHBondContact O-N 2.89Å; D229-S231 VanDerWaalsContact C-N 3.25Å; D229-S231 PolarHBondContact O-N 3.37Å; S231-Q235 WeakPolarHBondContact O-CG 3.41Å; S231-Q235 PolarHBondContact O-N 3.15Å; S231-Q235 PolarHBondContact O-NE2 2.87Å; S231-Q235 PolarHBondContact OG-NE2 3.15Å; S231-W343 WeakPolarHBondContact O-CZ2 3.24Å; S231-W343 PolarHBondContact OG-NE1 2.96Å
232	L	98.4	Very high	96	Very high	81 Å²	81	46.2 Å²	46.2	42%	0.424	27%	0.273	S	S	.	.	H	α-helix	trans	-75.3	-42.5	179.4	-70.3	174.1	0	0	0	112.2	N228 D229 A234 Q235 V236	N228-L232 WeakPolarHBondContact O-CG 3.48Å; N228-L232 PolarHBondContact O-N 3.02Å; N228-L232 WeakPolarHBondContact OD1-CD1 3.2Å; D229-L232 PolarHBondContact O-N 3.09Å; D229-L232 VanDerWaalsContact O-N 3.08Å; L232-A234 VanDerWaalsContact C-N 3.29Å; L232-A234 PolarHBondContact O-N 3.12Å; L232-Q235 WeakPolarHBondContact O-CB 3.18Å; L232-Q235 PolarHBondContact O-N 3.15Å; L232-V236 WeakPolarHBondContact O-CG2 3.46Å; L232-V236 PolarHBondContact O-N 3.4Å
233	E	97.9	Very high	95.8	Very high	17 Å²	17	47.1 Å²	47.1	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-56.9	-42.7	175.7	-71.9	163.3	-168.2	0	0	111.6	R142 L191 S195 D229 Q235 V236 G237 V247	R142-E233 IonicContact CZ-OE1 3.45Å; R142-E233 IonicContact CZ-OE2 3.66Å; R142-E233 IonicContact NH1-OE1 3.56Å; R142-E233 PolarHBondContact NH1-OE1 2.96Å; R142-E233 IonicContact NH1-OE2 3.62Å; R142-E233 PolarHBondContact NH1-OE2 3.33Å; R142-E233 IonicContact NH2-OE1 2.69Å; R142-E233 PolarHBondContact NH2-OE1 2.94Å; R142-E233 IonicContact NH2-OE2 3.25Å; L191-E233 VanDerWaalsContact CD2-CD 3.42Å; L191-E233 HydrophobicContact CD2-CG 3.82Å; L191-E233 WeakPolarHBondContact CD2-OE2 3.49Å; S195-E233 VanDerWaalsContact CB-OE1 3.29Å; S195-E233 WeakPolarHBondContact CB-OE1 3.37Å; S195-E233 PolarHBondContact OG-OE1 2.92Å; D229-E233 WeakPolarHBondContact O-CB 3.5Å; D229-E233 WeakPolarHBondContact O-CG 3.38Å; D229-E233 PolarHBondContact O-N 2.99Å; E233-Q235 VanDerWaalsContact C-N 3.28Å; E233-Q235 PolarHBondContact O-N 2.84Å; E233-V236 PolarHBondContact O-N 2.91Å; E233-G237 PolarHBondContact O-N 3.27Å; E233-V247 HydrophobicContact CB-CB 4.3Å; E233-V247 HydrophobicContact CB-CG1 4.18Å
234	A	96.6	Very high	95.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-68.6	-22.2	176	0	0	0	0	0	114.1	I230 L232 L248 A251 W343	I230-A234 WeakPolarHBondContact O-CB 3.49Å; I230-A234 PolarHBondContact O-N 2.87Å; L232-A234 VanDerWaalsContact C-N 3.29Å; L232-A234 PolarHBondContact O-N 3.12Å; A234-L248 HydrophobicContact CB-CD2 4.29Å; A234-L248 WeakPolarHBondContact O-CD2 3.26Å; A234-A251 HydrophobicContact CB-CB 3.41Å; A234-A251 VanDerWaalsContact CB-CB 3.41Å; A234-W343 HydrophobicContact CB-CH2 3.87Å; A234-W343 HydrophobicContact CB-CZ2 4.1Å
235	Q	95.9	Very high	95.2	Very high	74 Å²	74	48.5 Å²	48.5	35%	0.346	28%	0.282	S	S	.	.	H	α-helix	trans	-86.5	-32.5	174.5	-72.1	170.4	78	0	0	113	S231 L232 E233 W343 L347 V351	S231-Q235 WeakPolarHBondContact O-CG 3.41Å; S231-Q235 PolarHBondContact O-N 3.15Å; S231-Q235 PolarHBondContact O-NE2 2.87Å; S231-Q235 PolarHBondContact OG-NE2 3.15Å; L232-Q235 WeakPolarHBondContact O-CB 3.18Å; L232-Q235 PolarHBondContact O-N 3.15Å; E233-Q235 VanDerWaalsContact C-N 3.28Å; E233-Q235 PolarHBondContact O-N 2.84Å; Q235-W343 HydrophobicContact CG-CH2 4.01Å; Q235-W343 HydrophobicContact CG-CZ2 3.74Å; Q235-L347 HydrophobicContact CG-CD1 4.11Å; Q235-L347 HydrophobicContact CG-CD2 4.48Å; Q235-V351 HydrophobicContact CG-CG2 4.14Å
236	V	94.7	Very high	95	Very high	129 Å²	129	47.8 Å²	47.8	78%	0.782	28%	0.279	S	S	*	.	H	α-helix	trans	-80.1	-38.7	177.7	174.7	0	0	0	0	111.4	L232 E233	L232-V236 WeakPolarHBondContact O-CG2 3.46Å; L232-V236 PolarHBondContact O-N 3.4Å; E233-V236 PolarHBondContact O-N 2.91Å
237	G	89.3	Confident	94.9	Very high	12 Å²	12	48 Å²	48	12%	0.124	28%	0.281	C	S	.	.			trans	71.3	-163.4	-172.8	0	0	0	0	0	113.2	E233 H244	E233-G237 PolarHBondContact O-N 3.27Å; G237-H244 WeakPolarHBondContact CA-ND1 3.49Å
238	D	91.9	Very high	94.8	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.353	28%	0.276	S	S	.	.			trans	-147.3	156.7	177.1	-171.7	-90	0	0	0	110.2	S240 L243	D238-S240 VanDerWaalsContact C-N 3.27Å; D238-S240 PolarHBondContact O-N 3.17Å; D238-S240 WeakPolarHBondContact OD1-CA 3.22Å; D238-S240 WeakPolarHBondContact OD1-CB 3.46Å; D238-S240 PolarHBondContact OD1-N 3.49Å; D238-L243 HydrophobicContact CB-CB 3.63Å
239	A	88.8	Confident	94.6	Very high	111 Å²	111	46.7 Å²	46.7	92%	0.917	27%	0.268	S	S	*	.	S	Bend	trans	-71.1	-21.7	178.1	0	0	0	0	0	113.4
240	S	92.3	Very high	94.5	Very high	52 Å²	52	46.4 Å²	46.4	36%	0.364	27%	0.267	S	S	.	.	S	Bend	trans	-81.1	117.8	169.4	178.1	0	0	0	0	109.9	D238 F242 L243 H244	D238-S240 VanDerWaalsContact C-N 3.27Å; D238-S240 PolarHBondContact O-N 3.17Å; D238-S240 WeakPolarHBondContact OD1-CA 3.22Å; D238-S240 WeakPolarHBondContact OD1-CB 3.46Å; D238-S240 PolarHBondContact OD1-N 3.49Å; S240-F242 PolarHBondContact O-N 2.82Å; S240-F242 VanDerWaalsContact O-N 3.09Å; S240-L243 PolarHBondContact O-N 3.38Å; S240-H244 PolarHBondContact O-N 3.45Å
241	A	90.8	Very high	94.5	Very high	80 Å²	80	46.4 Å²	46.4	66%	0.661	27%	0.267	S	S	*	.	H	α-helix	trans	-55.5	-30	177.2	0	0	0	0	0	113.3	Y245	A241-Y245 WeakPolarHBondContact O-CB 3.38Å; A241-Y245 PolarHBondContact O-N 3.21Å; A241-Y245 VanDerWaalsContact O-N 3.14Å
242	F	91.1	Very high	94.4	Very high	99 Å²	99	46.3 Å²	46.3	43%	0.434	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-48.5	172.4	176	-88.5	0	0	0	111.7	E187 S240 Y245 W246	E187-F242 HydrophobicContact CB-CD1 3.91Å; E187-F242 HydrophobicContact CB-CE1 3.63Å; E187-F242 HydrophobicContact CG-CD1 4.05Å; E187-F242 HydrophobicContact CG-CE1 3.79Å; E187-F242 HydrophobicContact CG-CZ 4.43Å; S240-F242 PolarHBondContact O-N 2.82Å; S240-F242 VanDerWaalsContact O-N 3.09Å; F242-Y245 PolarHBondContact O-N 3.26Å; F242-W246 HydrophobicContact CE1-CB 4.31Å; F242-W246 VanDerWaalsContact O-CB 3.28Å; F242-W246 WeakPolarHBondContact O-CB 3.33Å; F242-W246 PolarHBondContact O-N 3.02Å
243	L	93.5	Very high	94.3	Very high	19 Å²	19	42.7 Å²	42.7	10%	0.099	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-39.1	-178.4	-73.8	179.1	0	0	0	111.8	E187 A188 D238 S240 Y245 W246 V247	E187-L243 HydrophobicContact CB-CD2 4.04Å; A188-L243 HydrophobicContact CB-CD2 3.98Å; D238-L243 HydrophobicContact CB-CB 3.63Å; S240-L243 PolarHBondContact O-N 3.38Å; L243-Y245 PolarHBondContact O-N 2.86Å; L243-W246 WeakPolarHBondContact O-CB 3.14Å; L243-W246 PolarHBondContact O-N 3.11Å; L243-W246 VanDerWaalsContact O-N 3.12Å; L243-V247 WeakPolarHBondContact O-CG2 3.48Å; L243-V247 PolarHBondContact O-N 2.85Å
244	H	93.3	Very high	94.4	Very high	37 Å²	37	41.9 Å²	41.9	17%	0.171	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-46.5	174.3	-174.3	36.7	0	0	0	111.9	G237 S240 W246 V247 L248	G237-H244 WeakPolarHBondContact CA-ND1 3.49Å; S240-H244 PolarHBondContact O-N 3.45Å; H244-W246 VanDerWaalsContact C-N 3.33Å; H244-W246 PolarHBondContact O-N 3.48Å; H244-V247 WeakPolarHBondContact O-CG2 3.17Å; H244-L248 WeakPolarHBondContact O-CB 3.39Å; H244-L248 WeakPolarHBondContact O-CD1 3.41Å; H244-L248 VanDerWaalsContact O-CG 3.23Å; H244-L248 WeakPolarHBondContact O-CG 3.41Å; H244-L248 PolarHBondContact O-N 3.47Å
245	Y	93.1	Very high	94.5	Very high	73 Å²	73	41.8 Å²	41.8	29%	0.286	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-36.8	173.1	-179.3	-127.3	0	0	0	112.4	A241 F242 L243 R249 Q358 L359	A241-Y245 WeakPolarHBondContact O-CB 3.38Å; A241-Y245 PolarHBondContact O-N 3.21Å; A241-Y245 VanDerWaalsContact O-N 3.14Å; F242-Y245 PolarHBondContact O-N 3.26Å; L243-Y245 PolarHBondContact O-N 2.86Å; Y245-R249 HydrophobicContact CD2-CG 4.33Å; Y245-R249 HydrophobicContact CE1-CG 4.46Å; Y245-R249 HydrophobicContact CE2-CG 4.01Å; Y245-R249 WeakPolarHBondContact O-CB 3.46Å; Y245-R249 WeakPolarHBondContact O-CG 3.29Å; Y245-R249 PolarHBondContact O-N 3.44Å; Y245-Q358 HydrophobicContact CE2-CB 4.43Å; Y245-L359 HydrophobicContact CD2-CD1 3.85Å; Y245-L359 HydrophobicContact CD2-CD2 4.3Å; Y245-L359 HydrophobicContact CD2-CG 3.85Å; Y245-L359 HydrophobicContact CE2-CD1 4.16Å; Y245-L359 HydrophobicContact CE2-CD2 3.76Å; Y245-L359 HydrophobicContact CE2-CG 3.7Å
246	W	95.3	Very high	94.6	Very high	18 Å²	18	38.3 Å²	38.3	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-51.6	178.9	177.4	-100.1	0	0	0	112.9	A134 Q137 T185 Y192 F242 L243 H244 L248 R249 V250	A134-W246 HydrophobicContact CB-CH2 4.19Å; A134-W246 HydrophobicContact CB-CZ3 4.21Å; Q137-W246 HydrophobicContact CB-CH2 4.36Å; Q137-W246 HydrophobicContact CG-CH2 4.08Å; Q137-W246 HydrophobicContact CG-CZ2 4.3Å; T185-W246 HydrophobicContact CG2-CD2 4.31Å; T185-W246 HydrophobicContact CG2-CH2 4.49Å; T185-W246 HydrophobicContact CG2-CZ2 3.94Å; Y192-W246 AromaticContact CZ-NE1 3.87Å; Y192-W246 PolarHBondContact OH-NE1 3.09Å; F242-W246 HydrophobicContact CE1-CB 4.31Å; F242-W246 VanDerWaalsContact O-CB 3.28Å; F242-W246 WeakPolarHBondContact O-CB 3.33Å; F242-W246 PolarHBondContact O-N 3.02Å; L243-W246 WeakPolarHBondContact O-CB 3.14Å; L243-W246 PolarHBondContact O-N 3.11Å; L243-W246 VanDerWaalsContact O-N 3.12Å; H244-W246 VanDerWaalsContact C-N 3.33Å; H244-W246 PolarHBondContact O-N 3.48Å; W246-L248 VanDerWaalsContact C-N 3.27Å; W246-L248 PolarHBondContact O-N 3.15Å; W246-R249 WeakPolarHBondContact O-CB 3.31Å; W246-R249 PolarHBondContact O-N 3.17Å; W246-V250 HydrophobicContact CD2-CG2 4.19Å; W246-V250 HydrophobicContact CG-CG2 4.47Å; W246-V250 HydrophobicContact CZ2-CG2 3.82Å; W246-V250 WeakPolarHBondContact O-CG2 3.2Å; W246-V250 PolarHBondContact O-N 3.36Å
247	V	96.6	Very high	94.8	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-37.1	179.3	-62.6	0	0	0	0	111.6	L191 E233 L243 H244 V250 A251	L191-V247 HydrophobicContact CD1-CG1 3.86Å; L191-V247 HydrophobicContact CD2-CG1 4.37Å; E233-V247 HydrophobicContact CB-CB 4.3Å; E233-V247 HydrophobicContact CB-CG1 4.18Å; L243-V247 WeakPolarHBondContact O-CG2 3.48Å; L243-V247 PolarHBondContact O-N 2.85Å; H244-V247 WeakPolarHBondContact O-CG2 3.17Å; V247-V250 PolarHBondContact O-N 2.88Å; V247-A251 PolarHBondContact O-N 3.39Å
248	L	95.4	Very high	95.3	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-44.2	172.5	-69.2	170.6	0	0	0	111.6	A234 H244 W246 V250 A251 F252 V351 L359	A234-L248 HydrophobicContact CB-CD2 4.29Å; A234-L248 WeakPolarHBondContact O-CD2 3.26Å; H244-L248 WeakPolarHBondContact O-CB 3.39Å; H244-L248 WeakPolarHBondContact O-CD1 3.41Å; H244-L248 VanDerWaalsContact O-CG 3.23Å; H244-L248 WeakPolarHBondContact O-CG 3.41Å; H244-L248 PolarHBondContact O-N 3.47Å; W246-L248 VanDerWaalsContact C-N 3.27Å; W246-L248 PolarHBondContact O-N 3.15Å; L248-V250 PolarHBondContact O-N 3.46Å; L248-A251 PolarHBondContact O-N 2.79Å; L248-F252 HydrophobicContact CD2-CD2 4.49Å; L248-F252 HydrophobicContact CD2-CE2 4.19Å; L248-F252 WeakPolarHBondContact O-CB 3.21Å; L248-F252 WeakPolarHBondContact O-CD2 3.44Å; L248-F252 PolarHBondContact O-N 2.94Å; L248-V351 HydrophobicContact CD2-CG1 3.36Å; L248-L359 HydrophobicContact CB-CD1 3.43Å; L248-L359 VanDerWaalsContact CB-CD1 3.43Å; L248-L359 HydrophobicContact CD1-CD1 3.6Å; L248-L359 HydrophobicContact CG-CD1 4.12Å
249	R	95.3	Very high	95.6	Very high	76 Å²	76	28.5 Å²	28.5	29%	0.287	17%	0.165	S	C	.	.	H	α-helix	trans	-60.9	-41.7	173.9	-79.1	-176.8	66	-146.5	-1.6	112.7	A134 Y245 W246 A251 S253	A134-R249 HydrophobicContact CB-CB 3.9Å; Y245-R249 HydrophobicContact CD2-CG 4.33Å; Y245-R249 HydrophobicContact CE1-CG 4.46Å; Y245-R249 HydrophobicContact CE2-CG 4.01Å; Y245-R249 WeakPolarHBondContact O-CB 3.46Å; Y245-R249 WeakPolarHBondContact O-CG 3.29Å; Y245-R249 PolarHBondContact O-N 3.44Å; W246-R249 WeakPolarHBondContact O-CB 3.31Å; W246-R249 PolarHBondContact O-N 3.17Å; R249-A251 VanDerWaalsContact C-N 3.3Å; R249-A251 PolarHBondContact O-N 2.89Å; R249-S253 WeakPolarHBondContact O-CB 3.34Å; R249-S253 PolarHBondContact O-N 2.9Å; R249-S253 PolarHBondContact O-OG 3.11Å
250	V	97.9	Very high	96.1	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-35.7	178.4	172.5	0	0	0	0	111.7	A134 C135 A138 I230 W246 V247 L248	A134-V250 HydrophobicContact CB-CG2 4.21Å; C135-V250 WeakPolarHBondContact CB-O 3.18Å; C135-V250 PolarHBondContact SG-O 3.36Å; C135-V250 VanDerWaalsContact SG-O 3.35Å; A138-V250 HydrophobicContact CB-CB 4.46Å; A138-V250 HydrophobicContact CB-CG1 3.57Å; A138-V250 HydrophobicContact CB-CG2 3.93Å; I230-V250 HydrophobicContact CD1-CG1 4.09Å; I230-V250 HydrophobicContact CG1-CG1 4Å; I230-V250 HydrophobicContact CG2-CG1 3.9Å; W246-V250 HydrophobicContact CD2-CG2 4.19Å; W246-V250 HydrophobicContact CG-CG2 4.47Å; W246-V250 HydrophobicContact CZ2-CG2 3.82Å; W246-V250 WeakPolarHBondContact O-CG2 3.2Å; W246-V250 PolarHBondContact O-N 3.36Å; V247-V250 PolarHBondContact O-N 2.88Å; L248-V250 PolarHBondContact O-N 3.46Å
251	A	97.9	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-84.4	-32.1	178.5	0	0	0	0	0	114.5	I230 A234 V247 L248 R249 S253 G337 D338 V339	I230-A251 HydrophobicContact CG2-CB 3.95Å; A234-A251 HydrophobicContact CB-CB 3.41Å; A234-A251 VanDerWaalsContact CB-CB 3.41Å; V247-A251 PolarHBondContact O-N 3.39Å; L248-A251 PolarHBondContact O-N 2.79Å; R249-A251 VanDerWaalsContact C-N 3.3Å; R249-A251 PolarHBondContact O-N 2.89Å; A251-S253 CarbonylContact C-O 3.59Å; A251-G337 CarbonylContact O-C 3.33Å; A251-D338 PolarHBondContact O-N 3.18Å; A251-V339 HydrophobicContact CB-CG1 3.88Å; A251-V339 HydrophobicContact CB-CG2 4.18Å; A251-V339 WeakPolarHBondContact O-CG1 3.19Å; A251-V339 WeakPolarHBondContact O-CG2 3.49Å; A251-V339 PolarHBondContact O-N 3.46Å
252	F	96.4	Very high	96.8	Very high	19 Å²	19	17.4 Å²	17.4	8%	0.083	8%	0.075	C	C	.	.	H	α-helix	trans	-89.5	-19.1	-178.9	-84.5	-76.5	0	0	0	114.8	L248 V339 W343 V351 L352	L248-F252 HydrophobicContact CD2-CD2 4.49Å; L248-F252 HydrophobicContact CD2-CE2 4.19Å; L248-F252 WeakPolarHBondContact O-CB 3.21Å; L248-F252 WeakPolarHBondContact O-CD2 3.44Å; L248-F252 PolarHBondContact O-N 2.94Å; F252-V339 HydrophobicContact CD1-CG2 4.06Å; F252-V339 HydrophobicContact CD2-CG2 4.35Å; F252-V339 HydrophobicContact CE1-CG2 4.03Å; F252-V339 HydrophobicContact CE2-CG2 4.32Å; F252-V339 HydrophobicContact CG-CG2 4.22Å; F252-V339 HydrophobicContact CZ-CG2 4.16Å; F252-W343 HydrophobicContact CE2-CZ3 4.19Å; F252-W343 HydrophobicContact CZ-CZ3 4.1Å; F252-V351 HydrophobicContact CE2-CG1 4.38Å; F252-L352 HydrophobicContact CE1-CD1 4.46Å; F252-L352 HydrophobicContact CE1-CD2 4.3Å; F252-L352 HydrophobicContact CE1-CG 4.49Å; F252-L352 HydrophobicContact CE2-CD2 3.97Å; F252-L352 HydrophobicContact CE2-CG 4.45Å; F252-L352 HydrophobicContact CZ-CD1 4.25Å; F252-L352 HydrophobicContact CZ-CD2 3.72Å; F252-L352 HydrophobicContact CZ-CG 3.84Å
253	S	97.4	Very high	97	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.028	6%	0.063	C	C	.	.	S	Bend	trans	-82.6	166.1	157.7	56.2	0	0	0	0	109.8	H130 A131 G132 C135 R249 A251 D338	H130-S253 WeakPolarHBondContact O-CB 3.4Å; A131-S253 WeakPolarHBondContact O-CB 3.12Å; G132-S253 WeakPolarHBondContact O-CB 3.47Å; G132-S253 PolarHBondContact O-OG 2.79Å; C135-S253 WeakPolarHBondContact CB-OG 3.49Å; C135-S253 PolarHBondContact N-OG 3.13Å; R249-S253 WeakPolarHBondContact O-CB 3.34Å; R249-S253 PolarHBondContact O-N 2.9Å; R249-S253 PolarHBondContact O-OG 3.11Å; A251-S253 CarbonylContact C-O 3.59Å; S253-D338 PolarHBondContact O-N 3.28Å
254	G	98.6	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	165.3	175.3	0	0	0	0	0	112.3	H130 F336	H130-G254 PolarHBondContact N-O 3.4Å; H130-G254 WeakPolarHBondContact NE2-CA 3.5Å; H130-G254 PolarHBondContact O-N 2.91Å; G254-F336 VanDerWaalsContact CA-O 3.26Å; G254-F336 WeakPolarHBondContact CA-O 3.4Å
255	A	98.9	Very high	97.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	144.5	171.8	0	0	0	0	0	113	D128 C135 A136 L139 A335 F336	D128-A255 CarbonylContact O-C 3.58Å; D128-A255 WeakPolarHBondContact O-CA 3.4Å; D128-A255 WeakPolarHBondContact O-CB 3.35Å; C135-A255 HydrophobicContact CB-CB 3.93Å; A136-A255 HydrophobicContact CB-CB 3.8Å; L139-A255 HydrophobicContact CD1-CB 3.73Å; L139-A255 HydrophobicContact CG-CB 4.41Å; A255-A335 CarbonylContact O-C 3.56Å; A255-A335 WeakPolarHBondContact O-CA 3.49Å; A255-A335 WeakPolarHBondContact O-CB 3.35Å; A255-F336 PolarHBondContact N-O 2.88Å; A255-F336 VanDerWaalsContact N-O 3.16Å; A255-F336 PolarHBondContact O-N 3.1Å
256	T	98.8	Very high	97.4	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	5%	0.054	C	C	.	.			trans	-77.9	169	166	74.7	0	0	0	0	110.5	F127 D128 A272 D274 P332	F127-T256 VanDerWaalsContact CA-O 3.29Å; F127-T256 WeakPolarHBondContact CA-O 3.44Å; F127-T256 WeakPolarHBondContact CB-O 3.2Å; D128-T256 WeakPolarHBondContact CA-OG1 3.37Å; D128-T256 HydrophobicContact CB-CG2 4.02Å; D128-T256 WeakPolarHBondContact CB-OG1 3.32Å; D128-T256 PolarHBondContact N-OG1 2.96Å; D128-T256 PolarHBondContact O-N 3.46Å; T256-A272 CarbonylContact C-O 3.54Å; T256-A272 VanDerWaalsContact CA-O 3.23Å; T256-A272 WeakPolarHBondContact CA-O 3.46Å; T256-A272 VanDerWaalsContact CB-O 3.32Å; T256-A272 WeakPolarHBondContact CB-O 3.47Å; T256-D274 WeakPolarHBondContact CG2-OD1 3.33Å; T256-P332 HydrophobicContact CG2-CB 4.1Å; T256-P332 HydrophobicContact CG2-CG 4.29Å
257	A	98.9	Very high	97.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	114.2	169.3	0	0	0	0	0	110.5	F127 L139 L143 F223 N271 A272 F336	F127-A257 HydrophobicContact CD1-CB 3.66Å; F127-A257 HydrophobicContact CE1-CB 3.94Å; L139-A257 HydrophobicContact CD1-CB 4.25Å; L143-A257 HydrophobicContact CD2-CB 4.17Å; F223-A257 HydrophobicContact CE1-CB 3.8Å; F223-A257 HydrophobicContact CZ-CB 4.29Å; A257-N271 CarbonylContact O-C 3.57Å; A257-N271 WeakPolarHBondContact O-CA 3.44Å; A257-N271 PolarHBondContact O-OD1 3.43Å; A257-A272 PolarHBondContact N-O 3.44Å; A257-A272 PolarHBondContact O-N 2.9Å; A257-F336 HydrophobicContact CB-CD2 4.16Å; A257-F336 HydrophobicContact CB-CE2 3.68Å
258	C	98.9	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	107.6	167.3	-174.1	0	0	0	0	108.6	G125 V126 N271 A275 I398	G125-C258 WeakPolarHBondContact CA-O 3.22Å; V126-C258 PolarHBondContact N-O 3.42Å; V126-C258 PolarHBondContact O-N 3.46Å; C258-N271 WeakPolarHBondContact CB-OD1 3.5Å; C258-A275 HydrophobicContact CB-CB 3.84Å; C258-I398 HydrophobicContact CB-CG2 4.04Å
259	V	98.9	Very high	97.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132	-173.1	179.7	0	0	0	0	110.7	L123 L124 F127 L143 F144 I147 F223 I269 A270	L123-V259 HydrophobicContact CD2-CG1 4.16Å; L124-V259 CarbonylContact O-C 3.54Å; L124-V259 WeakPolarHBondContact O-CA 3.33Å; F127-V259 HydrophobicContact CE1-CG2 4.04Å; F127-V259 HydrophobicContact CZ-CG2 4.24Å; L143-V259 HydrophobicContact CD2-CG2 4.11Å; F144-V259 HydrophobicContact CD1-CG1 4.4Å; F144-V259 HydrophobicContact CE1-CG1 3.75Å; F144-V259 HydrophobicContact CE1-CG2 4.12Å; I147-V259 HydrophobicContact CD1-CG1 4.09Å; F223-V259 HydrophobicContact CE2-CG2 4.43Å; F223-V259 HydrophobicContact CZ-CB 4.13Å; F223-V259 HydrophobicContact CZ-CG2 3.92Å; V259-I269 CarbonylContact O-C 3.51Å; V259-I269 WeakPolarHBondContact O-CA 3.49Å; V259-A270 PolarHBondContact N-O 3Å; V259-A270 PolarHBondContact O-N 3.27Å
260	A	98.9	Very high	98	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133	166.9	0	0	0	0	0	110.8	L123 L124 L267 Y268 I269 L396 I398	L123-A260 WeakPolarHBondContact CA-O 3.39Å; L124-A260 PolarHBondContact N-O 3.34Å; L124-A260 PolarHBondContact O-N 2.95Å; A260-L267 HydrophobicContact CB-CD1 4.04Å; A260-Y268 CarbonylContact C-O 3.53Å; A260-Y268 WeakPolarHBondContact CA-O 3.42Å; A260-I269 HydrophobicContact CB-CD1 3.65Å; A260-L396 HydrophobicContact CB-CD2 3.76Å; A260-I398 HydrophobicContact CB-CD1 3.77Å
261	H	98.9	Very high	98	Very high	6 Å²	6	7.8 Å²	7.8	3%	0.028	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.9	163.5	176.3	-103.5	0	0	0	108.9	M122 L123 L219 Y268	M122-H261 WeakPolarHBondContact O-CA 3.33Å; L123-H261 HydrophobicContact CD2-CB 3.79Å; L219-H261 HydrophobicContact CD1-CB 4.42Å; L219-H261 HydrophobicContact CD2-CB 4.4Å; H261-Y268 PolarHBondContact N-O 3.4Å; H261-Y268 PolarHBondContact O-N 2.99Å
262	I	98.6	Very high	98.1	Very high	4 Å²	4	7.8 Å²	7.8	2%	0.021	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	112	-178.1	-59.1	153.5	0	0	0	108.9	V93 G121 M122 L124 D266 L267 L389 T506 F508	V93-I262 HydrophobicContact CG2-CB 4.45Å; V93-I262 HydrophobicContact CG2-CD1 3.99Å; V93-I262 HydrophobicContact CG2-CG2 3.83Å; G121-I262 CarbonylContact C-O 3.53Å; G121-I262 VanDerWaalsContact CA-O 3.3Å; G121-I262 WeakPolarHBondContact CA-O 3.47Å; M122-I262 PolarHBondContact N-O 3.04Å; M122-I262 PolarHBondContact O-N 3.46Å; L124-I262 HydrophobicContact CD1-CD1 3.77Å; I262-D266 WeakPolarHBondContact CA-O 3.42Å; I262-L267 HydrophobicContact CD1-CD1 4.36Å; I262-L267 HydrophobicContact CG1-CD1 3.6Å; I262-L389 HydrophobicContact CG2-CD1 4.43Å; I262-T506 HydrophobicContact CD1-CG2 4.12Å; I262-F508 HydrophobicContact CD1-CE1 3.96Å; I262-F508 HydrophobicContact CD1-CZ 4.38Å; I262-F508 HydrophobicContact CG1-CE1 4.47Å
263	D	96.3	Very high	98.2	Very high	37 Å²	37	6.9 Å²	6.9	20%	0.198	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	109.2	166	-177.9	14.7	0	0	0	109.7	R120 D266	R120-D263 WeakPolarHBondContact CB-OD1 3.46Å; R120-D263 IonicContact CZ-OD1 3.74Å; R120-D263 IonicContact CZ-OD2 2.82Å; R120-D263 IonicContact NE-OD1 2.72Å; R120-D263 PolarHBondContact NE-OD1 2.92Å; R120-D263 IonicContact NE-OD2 3.78Å; R120-D263 PolarHBondContact NE-OD2 2.96Å; R120-D263 VanDerWaalsContact NE-OD2 3.15Å; R120-D263 VanDerWaalsContact NH2-CG 3.3Å; R120-D263 IonicContact NH2-OD1 2.72Å; R120-D263 PolarHBondContact NH2-OD1 3.36Å; R120-D263 IonicContact NH2-OD2 2.68Å; R120-D263 PolarHBondContact NH2-OD2 3.01Å; D263-D266 PolarHBondContact N-O 3.17Å; D263-D266 WeakPolarHBondContact O-CB 3.32Å; D263-D266 PolarHBondContact O-N 3.02Å
264	G	93.7	Very high	98.2	Very high	11 Å²	11	7.5 Å²	7.5	11%	0.113	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-124.2	-174.6	0	0	0	0	0	111.2	S92 D266	S92-G264 WeakPolarHBondContact CB-O 3.1Å; S92-G264 WeakPolarHBondContact OG-CA 3.14Å; S92-G264 PolarHBondContact OG-O 2.82Å; G264-D266 VanDerWaalsContact C-N 3.29Å; G264-D266 PolarHBondContact O-N 3.14Å
265	P	95.3	Very high	98.2	Very high	11 Å²	11	7.5 Å²	7.5	7%	0.071	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-5.9	179.3	36.2	-36.8	0	0	0	113.8	L389	P265-L389 WeakPolarHBondContact O-CB 3.23Å; P265-L389 PolarHBondContact O-N 3.09Å
266	D	97.5	Very high	98.1	Very high	32 Å²	32	9.3 Å²	9.3	17%	0.171	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	111.4	-175.5	-66.1	-51.9	0	0	0	111.7	I262 D263 G264 Y268 Y386 R388	I262-D266 WeakPolarHBondContact CA-O 3.42Å; D263-D266 PolarHBondContact N-O 3.17Å; D263-D266 WeakPolarHBondContact O-CB 3.32Å; D263-D266 PolarHBondContact O-N 3.02Å; G264-D266 VanDerWaalsContact C-N 3.29Å; G264-D266 PolarHBondContact O-N 3.14Å; D266-Y268 HydrophobicContact CB-CE2 4.07Å; D266-Y386 HydrophobicContact CB-CE2 4.23Å; D266-Y386 WeakPolarHBondContact OD1-CE2 3.46Å; D266-Y386 PolarHBondContact OD1-OH 2.81Å; D266-Y386 VanDerWaalsContact OD1-OH 3.07Å; D266-R388 WeakPolarHBondContact OD1-CD 3.33Å; D266-R388 IonicContact OD1-CZ 3.28Å; D266-R388 IonicContact OD1-NE 3.08Å; D266-R388 IonicContact OD1-NH1 2.68Å; D266-R388 PolarHBondContact OD1-NH1 2.55Å; D266-R388 IonicContact OD2-CZ 3.97Å; D266-R388 IonicContact OD2-NH1 3.97Å; D266-R388 PolarHBondContact OD2-NH1 2.93Å
267	L	98.7	Very high	98.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.5	174.6	170.5	64	0	0	0	110	A260 I262 I269 L279 L293 H387 L389 L396 F508	A260-L267 HydrophobicContact CB-CD1 4.04Å; I262-L267 HydrophobicContact CD1-CD1 4.36Å; I262-L267 HydrophobicContact CG1-CD1 3.6Å; L267-I269 HydrophobicContact CD1-CD1 3.82Å; L267-I269 HydrophobicContact CG-CD1 4.32Å; L267-L279 HydrophobicContact CD2-CD1 4.31Å; L267-L293 HydrophobicContact CD2-CD1 3.53Å; L267-L293 HydrophobicContact CG-CD1 4.42Å; L267-H387 WeakPolarHBondContact CB-O 3.29Å; L267-H387 PolarHBondContact N-O 3.2Å; L267-H387 PolarHBondContact O-N 2.89Å; L267-L389 HydrophobicContact CB-CD1 4.35Å; L267-L389 HydrophobicContact CB-CD2 4.32Å; L267-L389 HydrophobicContact CB-CG 4.09Å; L267-L389 HydrophobicContact CD2-CD2 4.11Å; L267-L396 HydrophobicContact CD1-CD2 4.06Å; L267-L396 HydrophobicContact CD2-CD1 4.4Å; L267-L396 HydrophobicContact CD2-CD2 4.38Å; L267-F508 HydrophobicContact CD2-CZ 4.37Å
268	Y	98.9	Very high	98.2	Very high	36 Å²	36	9.2 Å²	9.2	14%	0.141	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.5	168.7	-66.4	-99.1	0	0	0	109.5	T215 R216 L219 A260 H261 D266 I384 T385 Y386	T215-Y268 HydrophobicContact CG2-CD1 4.21Å; T215-Y268 HydrophobicContact CG2-CD2 3.56Å; T215-Y268 HydrophobicContact CG2-CE1 4.25Å; T215-Y268 HydrophobicContact CG2-CE2 3.61Å; T215-Y268 HydrophobicContact CG2-CG 3.87Å; R216-Y268 HydrophobicContact CB-CE1 4.31Å; L219-Y268 HydrophobicContact CD1-CD1 4.45Å; L219-Y268 HydrophobicContact CD1-CG 4.2Å; A260-Y268 CarbonylContact C-O 3.53Å; A260-Y268 WeakPolarHBondContact CA-O 3.42Å; H261-Y268 PolarHBondContact N-O 3.4Å; H261-Y268 PolarHBondContact O-N 2.99Å; D266-Y268 HydrophobicContact CB-CE2 4.07Å; Y268-I384 HydrophobicContact CD1-CG2 4.17Å; Y268-T385 CarbonylContact C-O 3.58Å; Y268-T385 WeakPolarHBondContact CA-O 3.42Å; Y268-Y386 HydrophobicContact CD1-CD2 4.11Å; Y268-Y386 HydrophobicContact CD1-CG 4.49Å; Y268-Y386 HydrophobicContact CD2-CD2 4.23Å; Y268-Y386 AromaticContact CE1-CD2 3.69Å; Y268-Y386 HydrophobicContact CE1-CD2 3.69Å; Y268-Y386 HydrophobicContact CE1-CG 4.08Å; Y268-Y386 AromaticContact CE2-CD2 3.84Å; Y268-Y386 HydrophobicContact CE2-CD2 3.84Å; Y268-Y386 HydrophobicContact CE2-CE2 4.18Å; Y268-Y386 HydrophobicContact CG-CD2 4.36Å; Y268-Y386 AromaticContact CZ-CD2 3.54Å
269	I	98.9	Very high	98.2	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.01	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.3	169	-56.7	-59.5	0	0	0	108.4	V259 A260 L267 A277 L293 I384 T385 L396	V259-I269 CarbonylContact O-C 3.51Å; V259-I269 WeakPolarHBondContact O-CA 3.49Å; A260-I269 HydrophobicContact CB-CD1 3.65Å; L267-I269 HydrophobicContact CD1-CD1 3.82Å; L267-I269 HydrophobicContact CG-CD1 4.32Å; I269-A277 HydrophobicContact CD1-CB 3.91Å; I269-A277 HydrophobicContact CG1-CB 4.16Å; I269-A277 HydrophobicContact CG2-CB 3.9Å; I269-L293 HydrophobicContact CG1-CB 3.75Å; I269-L293 HydrophobicContact CG1-CD1 4.04Å; I269-I384 CarbonylContact O-C 3.52Å; I269-I384 WeakPolarHBondContact O-CA 3.35Å; I269-T385 PolarHBondContact N-O 3.06Å; I269-T385 PolarHBondContact O-N 2.9Å; I269-L396 HydrophobicContact CD1-CD1 4.46Å; I269-L396 HydrophobicContact CD1-CD2 3.88Å
270	A	98.9	Very high	98.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.6	169.7	0	0	0	0	0	108.8	L219 F223 V259 P382 E383 I384	L219-A270 HydrophobicContact CB-CB 4.4Å; L219-A270 HydrophobicContact CD2-CB 4.29Å; F223-A270 HydrophobicContact CE1-CB 4.34Å; F223-A270 HydrophobicContact CE2-CB 3.6Å; F223-A270 HydrophobicContact CZ-CB 3.48Å; F223-A270 VanDerWaalsContact CZ-CB 3.48Å; V259-A270 PolarHBondContact N-O 3Å; V259-A270 PolarHBondContact O-N 3.27Å; A270-P382 HydrophobicContact CB-CB 4.09Å; A270-P382 HydrophobicContact CB-CG 4.34Å; A270-E383 WeakPolarHBondContact CA-O 3.26Å; A270-I384 HydrophobicContact CB-CD1 3.39Å
271	N	98.9	Very high	98.1	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.7	179.7	-169.3	34.3	0	0	0	112.9	A257 C258 G273 A275 N295 H297 P382 E383	A257-N271 CarbonylContact O-C 3.57Å; A257-N271 WeakPolarHBondContact O-CA 3.44Å; A257-N271 PolarHBondContact O-OD1 3.43Å; C258-N271 WeakPolarHBondContact CB-OD1 3.5Å; N271-G273 PolarHBondContact ND2-O 3.26Å; N271-A275 PolarHBondContact ND2-O 2.9Å; N271-A275 VanDerWaalsContact ND2-O 3.09Å; N271-A275 PolarHBondContact OD1-O 3.28Å; N271-N295 PolarHBondContact ND2-O 3.47Å; N271-H297 PolarHBondContact ND2-ND1 2.67Å; N271-H297 PolarHBondContact O-CE1 3.48Å; N271-P382 CarbonylContact O-C 3.51Å; N271-P382 WeakPolarHBondContact O-CA 3.32Å; N271-P382 WeakPolarHBondContact O-CB 3.41Å; N271-E383 PolarHBondContact N-O 2.85Å; N271-E383 PolarHBondContact O-N 3.08Å
272	A	98.8	Very high	98	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	101.8	167.4	0	0	0	0	0	108.6	F223 T256 A257 R334 P382	F223-A272 HydrophobicContact CD1-CB 4.31Å; F223-A272 HydrophobicContact CE1-CB 4.27Å; T256-A272 CarbonylContact C-O 3.54Å; T256-A272 VanDerWaalsContact CA-O 3.23Å; T256-A272 WeakPolarHBondContact CA-O 3.46Å; T256-A272 VanDerWaalsContact CB-O 3.32Å; T256-A272 WeakPolarHBondContact CB-O 3.47Å; A257-A272 PolarHBondContact N-O 3.44Å; A257-A272 PolarHBondContact O-N 2.9Å; A272-R334 CarbonylContact C-O 3.6Å; A272-R334 HydrophobicContact CB-CB 4.11Å; A272-P382 HydrophobicContact CB-CB 4.47Å
273	G	98.6	Very high	97.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	122.4	-163.1	-175.5	0	0	0	0	0	113.6	N271 H297 R334	N271-G273 PolarHBondContact ND2-O 3.26Å; G273-H297 PolarHBondContact N-ND1 3.1Å; G273-H297 WeakPolarHBondContact O-CB 3.41Å; G273-H297 PolarHBondContact O-N 2.95Å; G273-H297 PolarHBondContact O-ND1 3.45Å; G273-R334 WeakPolarHBondContact CA-O 3.48Å; G273-R334 PolarHBondContact N-O 2.93Å
274	D	97.9	Very high	97.7	Very high	16 Å²	16	23.2 Å²	23.2	9%	0.086	11%	0.111	C	C	.	.	S	Bend	trans	-102.9	-7.4	-174.1	24.2	31.7	0	0	0	114.1	T256 D296 P332	T256-D274 WeakPolarHBondContact CG2-OD1 3.33Å; D274-D296 HydrophobicContact CB-CB 4.44Å; D274-P332 WeakPolarHBondContact OD2-CA 3.27Å
275	A	98.1	Very high	97.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.			trans	-55.9	145.2	159.1	0	0	0	0	0	110.5	C258 N271	C258-A275 HydrophobicContact CB-CB 3.84Å; N271-A275 PolarHBondContact ND2-O 2.9Å; N271-A275 VanDerWaalsContact ND2-O 3.09Å; N271-A275 PolarHBondContact OD1-O 3.28Å
276	R	98.7	Very high	97.3	Very high	38 Å²	38	30.2 Å²	30.2	14%	0.143	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	143.1	-166.8	-159.8	-164.1	-62	136.5	-0.3	114.1	V278 T292 S294 D296 I398 G399 W404	R276-V278 HydrophobicContact CG-CG2 4.31Å; R276-T292 HydrophobicContact CG-CG2 4.45Å; R276-S294 WeakPolarHBondContact CA-OG 3.3Å; R276-S294 WeakPolarHBondContact CG-OG 3.4Å; R276-D296 WeakPolarHBondContact CG-OD1 3.5Å; R276-D296 IonicContact CZ-OD1 3.38Å; R276-D296 IonicContact CZ-OD2 2.94Å; R276-D296 IonicContact NE-OD1 3.34Å; R276-D296 PolarHBondContact NE-OD1 2.87Å; R276-D296 IonicContact NE-OD2 2.72Å; R276-D296 PolarHBondContact NE-OD2 2.82Å; R276-D296 IonicContact NH2-OD1 2.77Å; R276-D296 IonicContact NH2-OD2 3.95Å; R276-D296 PolarHBondContact NH2-OD2 3.01Å; R276-I398 WeakPolarHBondContact O-CA 3.49Å; R276-G399 PolarHBondContact N-O 3.45Å; R276-G399 PolarHBondContact O-N 2.89Å; R276-G399 VanDerWaalsContact O-N 3.11Å; R276-W404 HydrophobicContact CB-CD2 4.38Å; R276-W404 HydrophobicContact CB-CG 4.32Å; R276-W404 HydrophobicContact CB-CZ2 4.44Å; R276-W404 VanDerWaalsContact NH1-CB 3.33Å; R276-W404 VanDerWaalsContact NH1-CD2 3.34Å; R276-W404 VanDerWaalsContact NH1-CG 3.33Å; R276-W404 WeakPolarHBondContact O-CZ2 3.29Å; R276-W404 PolarHBondContact O-NE1 3.02Å
277	A	98.9	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131	169.2	0	0	0	0	0	112	I269 L293 S294 L396 V397 I398	I269-A277 HydrophobicContact CD1-CB 3.91Å; I269-A277 HydrophobicContact CG1-CB 4.16Å; I269-A277 HydrophobicContact CG2-CB 3.9Å; A277-L293 PolarHBondContact O-N 3.41Å; A277-S294 PolarHBondContact N-OG 3.27Å; A277-L396 HydrophobicContact CB-CD1 4.32Å; A277-V397 CarbonylContact C-O 3.53Å; A277-V397 WeakPolarHBondContact CA-O 3.17Å; A277-I398 HydrophobicContact CB-CG1 4.31Å
278	V	98.9	Very high	96.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.9	177.9	-172.9	0	0	0	0	110.1	R276 A290 V397 W404 R409 I413	R276-V278 HydrophobicContact CG-CG2 4.31Å; V278-A290 HydrophobicContact CG1-CB 3.99Å; V278-V397 PolarHBondContact N-O 2.83Å; V278-V397 PolarHBondContact O-N 3.01Å; V278-W404 HydrophobicContact CB-CH2 3.85Å; V278-W404 HydrophobicContact CB-CZ3 4.46Å; V278-W404 HydrophobicContact CG2-CH2 3.45Å; V278-W404 VanDerWaalsContact CG2-CH2 3.45Å; V278-W404 HydrophobicContact CG2-CZ2 3.97Å; V278-W404 HydrophobicContact CG2-CZ3 3.84Å; V278-R409 HydrophobicContact CG1-CB 4.4Å; V278-R409 HydrophobicContact CG2-CB 4.35Å; V278-I413 HydrophobicContact CB-CD1 4.28Å; V278-I413 HydrophobicContact CG1-CD1 3.91Å; V278-I413 HydrophobicContact CG1-CG1 3.71Å
279	L	98.9	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.7	177.2	-171.8	74.9	0	0	0	110.4	L267 V281 H291 L293 L389 D393 L396 F508	L267-L279 HydrophobicContact CD2-CD1 4.31Å; L279-V281 HydrophobicContact CD2-CG2 3.87Å; L279-V281 HydrophobicContact CG-CG2 4.08Å; L279-H291 HydrophobicContact CB-CB 4.1Å; L279-H291 WeakPolarHBondContact CB-O 3.47Å; L279-H291 PolarHBondContact N-O 2.69Å; L279-H291 PolarHBondContact O-N 3.19Å; L279-L293 HydrophobicContact CB-CD1 3.9Å; L279-L293 HydrophobicContact CB-CG 4.05Å; L279-L293 HydrophobicContact CD1-CD1 4.48Å; L279-L389 HydrophobicContact CD1-CD2 4.32Å; L279-D393 HydrophobicContact CD1-CB 4.32Å; L279-D393 HydrophobicContact CD2-CB 4.11Å; L279-D393 HydrophobicContact CG-CB 4.44Å; L279-L396 HydrophobicContact CB-CD1 4.38Å; L279-L396 HydrophobicContact CD1-CD1 4.31Å; L279-F508 HydrophobicContact CD1-CD2 4.4Å; L279-F508 HydrophobicContact CD1-CE2 3.67Å
280	G	98.7	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	106.2	172.6	0	0	0	0	0	111.1	R394 F395	G280-R394 PolarHBondContact O-N 3Å; G280-F395 PolarHBondContact N-O 3.43Å; G280-F395 PolarHBondContact O-N 2.79Å
281	V	98.4	Very high	96.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139	178.9	-176.4	0	0	0	0	108.8	L279 F288 S289 H291 Q392 D393	L279-V281 HydrophobicContact CD2-CG2 3.87Å; L279-V281 HydrophobicContact CG-CG2 4.08Å; V281-F288 CarbonylContact O-C 3.55Å; V281-F288 VanDerWaalsContact O-CA 3.22Å; V281-F288 WeakPolarHBondContact O-CA 3.38Å; V281-F288 WeakPolarHBondContact O-CD1 3.23Å; V281-S289 PolarHBondContact N-O 2.96Å; V281-S289 VanDerWaalsContact N-O 3.09Å; V281-S289 PolarHBondContact O-N 2.77Å; V281-H291 HydrophobicContact CG2-CB 4.3Å; V281-H291 WeakPolarHBondContact CG2-CD2 3.38Å; V281-Q392 WeakPolarHBondContact CA-O 3.46Å; V281-Q392 HydrophobicContact CG1-CB 3.95Å; V281-Q392 HydrophobicContact CG1-CG 3.66Å; V281-D393 WeakPolarHBondContact CG2-OD1 3.28Å
282	Q	96.8	Very high	96.8	Very high	52 Å²	52	38.3 Å²	38.3	24%	0.243	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123	175.7	-175.1	168.5	28.9	0	0	110.5	S287 F288 Q392 R394	Q282-S287 WeakPolarHBondContact CA-O 3.3Å; Q282-F288 HydrophobicContact CB-CD1 4.09Å; Q282-F288 HydrophobicContact CB-CE1 3.75Å; Q282-F288 HydrophobicContact CB-CZ 4.14Å; Q282-F288 HydrophobicContact CG-CE1 4.19Å; Q282-F288 HydrophobicContact CG-CE2 4.42Å; Q282-F288 HydrophobicContact CG-CZ 4.08Å; Q282-Q392 PolarHBondContact N-O 2.84Å; Q282-Q392 WeakPolarHBondContact O-CB 3.36Å; Q282-R394 HydrophobicContact CB-CG 3.53Å
283	E	95.9	Very high	96.8	Very high	80 Å²	80	39 Å²	39	37%	0.374	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-81.8	165.9	-179	-59	-60.6	165	0	0	112.1	D285 G286 S287 S289	E283-D285 PolarHBondContact O-N 2.85Å; E283-G286 WeakPolarHBondContact O-CA 3.46Å; E283-G286 PolarHBondContact O-N 2.88Å; E283-S287 PolarHBondContact N-O 3.34Å; E283-S289 WeakPolarHBondContact OE1-CB 3.27Å; E283-S289 PolarHBondContact OE1-OG 2.91Å
284	E	92.8	Very high	96.8	Very high	207 Å²	207	39.1 Å²	39.1	97%	0.967	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.9	-178.1	-62.9	-172.7	169.5	0	0	114	G286	E284-G286 PolarHBondContact O-N 2.61Å
285	D	90.3	Very high	96.8	Very high	130 Å²	130	41.9 Å²	41.9	70%	0.695	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-2	174.7	79.5	-25.2	0	0	0	113.4	E283 S287	E283-D285 PolarHBondContact O-N 2.85Å; D285-S287 VanDerWaalsContact C-N 3.34Å; D285-S287 WeakPolarHBondContact OD1-CB 3.35Å; D285-S287 PolarHBondContact OD1-N 3.22Å; D285-S287 PolarHBondContact OD1-OG 3.38Å
286	G	89.7	Confident	96.8	Very high	38 Å²	38	43.8 Å²	43.8	39%	0.392	24%	0.236	S	C	.	.	S	Bend	trans	83.8	1.5	-177.2	0	0	0	0	0	114.8	E283 E284	E283-G286 WeakPolarHBondContact O-CA 3.46Å; E283-G286 PolarHBondContact O-N 2.88Å; E284-G286 PolarHBondContact O-N 2.61Å
287	S	91.1	Very high	96.8	Very high	54 Å²	54	42 Å²	42	38%	0.378	23%	0.229	S	C	.	.			trans	-72.4	175.1	169.4	73.9	0	0	0	0	111.8	Q282 E283 D285	Q282-S287 WeakPolarHBondContact CA-O 3.3Å; E283-S287 PolarHBondContact N-O 3.34Å; D285-S287 VanDerWaalsContact C-N 3.34Å; D285-S287 WeakPolarHBondContact OD1-CB 3.35Å; D285-S287 PolarHBondContact OD1-N 3.22Å; D285-S287 PolarHBondContact OD1-OG 3.38Å
288	F	96.1	Very high	96.7	Very high	23 Å²	23	42.4 Å²	42.4	10%	0.101	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134	-179.2	-76.6	-91.3	0	0	0	111.6	V281 Q282 R394 F395 Q410 I413 T421	V281-F288 CarbonylContact O-C 3.55Å; V281-F288 VanDerWaalsContact O-CA 3.22Å; V281-F288 WeakPolarHBondContact O-CA 3.38Å; V281-F288 WeakPolarHBondContact O-CD1 3.23Å; Q282-F288 HydrophobicContact CB-CD1 4.09Å; Q282-F288 HydrophobicContact CB-CE1 3.75Å; Q282-F288 HydrophobicContact CB-CZ 4.14Å; Q282-F288 HydrophobicContact CG-CE1 4.19Å; Q282-F288 HydrophobicContact CG-CE2 4.42Å; Q282-F288 HydrophobicContact CG-CZ 4.08Å; F288-R394 HydrophobicContact CE1-CB 4.13Å; F288-R394 HydrophobicContact CE1-CG 3.85Å; F288-F395 AromaticContact CD1-CE1 3.93Å; F288-F395 HydrophobicContact CD1-CE1 3.93Å; F288-F395 HydrophobicContact CD1-CZ 4.39Å; F288-F395 AromaticContact CE1-CE1 3.72Å; F288-F395 HydrophobicContact CE1-CE1 3.72Å; F288-Q410 PolarHBondContact O-NE2 2.68Å; F288-I413 HydrophobicContact CB-CG2 4.08Å; F288-T421 HydrophobicContact CE2-CG2 3.97Å; F288-T421 HydrophobicContact CZ-CG2 3.71Å
289	S	98.1	Very high	96.7	Very high	20 Å²	20	43.3 Å²	43.3	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143	177.2	61.2	0	0	0	0	111.7	V281 E283	V281-S289 PolarHBondContact N-O 2.96Å; V281-S289 VanDerWaalsContact N-O 3.09Å; V281-S289 PolarHBondContact O-N 2.77Å; E283-S289 WeakPolarHBondContact OE1-CB 3.27Å; E283-S289 PolarHBondContact OE1-OG 2.91Å
290	A	98.6	Very high	96.6	Very high	19 Å²	19	49.5 Å²	49.5	16%	0.157	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	103.9	-176.4	0	0	0	0	0	112.3	V278 R409 Q410 I413	V278-A290 HydrophobicContact CG1-CB 3.99Å; A290-R409 HydrophobicContact CB-CB 4.39Å; A290-R409 HydrophobicContact CB-CG 4.33Å; A290-Q410 HydrophobicContact CB-CB 4.32Å; A290-I413 HydrophobicContact CB-CB 3.98Å; A290-I413 HydrophobicContact CB-CG1 3.66Å; A290-I413 HydrophobicContact CB-CG2 4.39Å
291	H	98.5	Very high	96.5	Very high	81 Å²	81	50.7 Å²	50.7	38%	0.375	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	102.5	176.6	-76.6	-102.9	0	0	0	110.4	L279 V281 L293	L279-H291 HydrophobicContact CB-CB 4.1Å; L279-H291 WeakPolarHBondContact CB-O 3.47Å; L279-H291 PolarHBondContact N-O 2.69Å; L279-H291 PolarHBondContact O-N 3.19Å; V281-H291 HydrophobicContact CG2-CB 4.3Å; V281-H291 WeakPolarHBondContact CG2-CD2 3.38Å; H291-L293 PolarHBondContact O-N 3.04Å
292	T	98.5	Very high	96.5	Very high	45 Å²	45	57 Å²	57	28%	0.276	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	129.9	174.5	-63.7	0	0	0	0	110.6	R276 S294 R409	R276-T292 HydrophobicContact CG-CG2 4.45Å; T292-S294 WeakPolarHBondContact CG2-O 3.46Å; T292-R409 VanDerWaalsContact OG1-CD 3.31Å; T292-R409 WeakPolarHBondContact OG1-CD 3.24Å; T292-R409 PolarHBondContact OG1-NH1 2.99Å
293	L	98.8	Very high	96.6	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.079	32%	0.323	C	S	.	.			trans	-112.7	-5.9	-179.8	-63.6	-174	0	0	0	114.2	L267 I269 A277 L279 H291 T385 H387 L396	L267-L293 HydrophobicContact CD2-CD1 3.53Å; L267-L293 HydrophobicContact CG-CD1 4.42Å; I269-L293 HydrophobicContact CG1-CB 3.75Å; I269-L293 HydrophobicContact CG1-CD1 4.04Å; A277-L293 PolarHBondContact O-N 3.41Å; L279-L293 HydrophobicContact CB-CD1 3.9Å; L279-L293 HydrophobicContact CB-CG 4.05Å; L279-L293 HydrophobicContact CD1-CD1 4.48Å; H291-L293 PolarHBondContact O-N 3.04Å; L293-T385 WeakPolarHBondContact O-CB 2.96Å; L293-T385 WeakPolarHBondContact O-CG2 3.4Å; L293-T385 PolarHBondContact O-OG1 3.39Å; L293-H387 HydrophobicContact CD1-CB 4.48Å; L293-H387 HydrophobicContact CD2-CB 4.32Å; L293-L396 HydrophobicContact CD1-CD1 3.96Å
294	S	98.6	Very high	96.7	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.014	31%	0.306	C	S	.	.	S	Bend	trans	-132.1	140.2	170.2	60.5	0	0	0	0	110.3	R276 A277 T292	R276-S294 WeakPolarHBondContact CA-OG 3.3Å; R276-S294 WeakPolarHBondContact CG-OG 3.4Å; A277-S294 PolarHBondContact N-OG 3.27Å; T292-S294 WeakPolarHBondContact CG2-O 3.46Å
295	N	98.4	Very high	97	Very high	74 Å²	74	45.1 Å²	45.1	40%	0.396	26%	0.262	S	S	.	.			trans	-83.1	146.5	166	-55.6	-68.6	0	0	0	109.5	N271 H297 E383	N271-N295 PolarHBondContact ND2-O 3.47Å; N295-H297 PolarHBondContact O-CE1 3.39Å; N295-H297 PolarHBondContact O-ND1 2.81Å; N295-E383 WeakPolarHBondContact CB-OE2 3.41Å; N295-E383 PolarHBondContact N-OE2 3.12Å; N295-E383 VanDerWaalsContact ND2-CD 3.28Å; N295-E383 PolarHBondContact ND2-OE1 3.42Å; N295-E383 PolarHBondContact ND2-OE2 3.49Å
296	D	98.5	Very high	97.3	Very high	39 Å²	39	41.6 Å²	41.6	21%	0.209	25%	0.251	C	S	.	.			trans	-75.2	134	173.8	-48.9	-10.7	0	0	0	108.1	D274 R276 S298 N301	D274-D296 HydrophobicContact CB-CB 4.44Å; R276-D296 WeakPolarHBondContact CG-OD1 3.5Å; R276-D296 IonicContact CZ-OD1 3.38Å; R276-D296 IonicContact CZ-OD2 2.94Å; R276-D296 IonicContact NE-OD1 3.34Å; R276-D296 PolarHBondContact NE-OD1 2.87Å; R276-D296 IonicContact NE-OD2 2.72Å; R276-D296 PolarHBondContact NE-OD2 2.82Å; R276-D296 IonicContact NH2-OD1 2.77Å; R276-D296 IonicContact NH2-OD2 3.95Å; R276-D296 PolarHBondContact NH2-OD2 3.01Å; D296-S298 PolarHBondContact O-N 3.1Å; D296-N301 WeakPolarHBondContact O-CB 3.38Å; D296-N301 PolarHBondContact O-ND2 3.34Å
297	H	98.6	Very high	97.7	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.241	C	C	.	.			trans	-90.3	77.2	176.7	-60.1	87.1	0	0	0	109.1	N271 G273 N295 E304 F333 R334	N271-H297 PolarHBondContact ND2-ND1 2.67Å; N271-H297 PolarHBondContact O-CE1 3.48Å; G273-H297 PolarHBondContact N-ND1 3.1Å; G273-H297 WeakPolarHBondContact O-CB 3.41Å; G273-H297 PolarHBondContact O-N 2.95Å; G273-H297 PolarHBondContact O-ND1 3.45Å; N295-H297 PolarHBondContact O-CE1 3.39Å; N295-H297 PolarHBondContact O-ND1 2.81Å; H297-E304 HydrophobicContact CB-CG 4.38Å; H297-E304 IonicContact CD2-OE1 3.4Å; H297-E304 IonicContact CD2-OE2 3.55Å; H297-F333 HydrophobicContact CB-CB 4.34Å; H297-F333 WeakPolarHBondContact O-CB 3.35Å; H297-F333 PolarHBondContact O-N 3.48Å; H297-R334 HydrophobicContact CB-CB 4.23Å; H297-R334 HydrophobicContact CB-CG 4.07Å; H297-R334 PolarHBondContact CD2-NE 3.17Å; H297-R334 PolarHBondContact CD2-NH2 2.81Å; H297-R334 VanDerWaalsContact NE2-CZ 3.27Å; H297-R334 PolarHBondContact NE2-NH2 2.9Å
298	S	97.3	Very high	98.1	Very high	8 Å²	8	39.4 Å²	39.4	6%	0.056	22%	0.223	C	C	.	.	S	Bend	trans	-143.3	177.3	-174.1	68.2	0	0	0	0	112.3	D296 Q300 N301 F333	D296-S298 PolarHBondContact O-N 3.1Å; S298-Q300 PolarHBondContact O-N 3.18Å; S298-Q300 VanDerWaalsContact O-N 3.15Å; S298-Q300 PolarHBondContact OG-OE1 2.89Å; S298-Q300 VanDerWaalsContact OG-OE1 3.07Å; S298-N301 PolarHBondContact O-N 3.26Å; S298-N301 VanDerWaalsContact O-N 3.07Å; S298-F333 VanDerWaalsContact C-CE2 3.43Å; S298-F333 WeakPolarHBondContact O-CE2 3.43Å
299	A	97.3	Very high	98.2	Very high	20 Å²	20	42.8 Å²	42.8	17%	0.165	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.5	178.4	0	0	0	0	0	114.6	N301 V305 D324 F333	A299-N301 VanDerWaalsContact C-N 3.3Å; A299-V305 WeakPolarHBondContact O-CG2 3.44Å; A299-D324 HydrophobicContact CB-CB 3.55Å; A299-D324 WeakPolarHBondContact CB-O 3.16Å; A299-F333 HydrophobicContact CB-CE2 4.23Å; A299-F333 HydrophobicContact CB-CZ 3.73Å
300	Q	96.9	Very high	98.2	Very high	130 Å²	130	46.3 Å²	46.3	61%	0.607	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.6	178.4	-64.8	71.6	23.1	0	0	112.2	S298	S298-Q300 PolarHBondContact O-N 3.18Å; S298-Q300 VanDerWaalsContact O-N 3.15Å; S298-Q300 PolarHBondContact OG-OE1 2.89Å; S298-Q300 VanDerWaalsContact OG-OE1 3.07Å
301	N	98	Very high	98.2	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.134	28%	0.275	C	S	.	.			trans	-96.1	97.4	174.9	-178.8	-13.1	0	0	0	110.5	D296 S298 A299 S303 E304 V305	D296-N301 WeakPolarHBondContact O-CB 3.38Å; D296-N301 PolarHBondContact O-ND2 3.34Å; S298-N301 PolarHBondContact O-N 3.26Å; S298-N301 VanDerWaalsContact O-N 3.07Å; A299-N301 VanDerWaalsContact C-N 3.3Å; N301-S303 PolarHBondContact O-N 3.32Å; N301-S303 VanDerWaalsContact O-N 3.09Å; N301-S303 PolarHBondContact OD1-N 2.93Å; N301-S303 VanDerWaalsContact OD1-N 3.08Å; N301-S303 PolarHBondContact OD1-OG 2.72Å; N301-E304 HydrophobicContact CB-CB 4.02Å; N301-E304 PolarHBondContact O-N 2.72Å; N301-E304 VanDerWaalsContact O-N 3.09Å; N301-E304 PolarHBondContact OD1-N 3.07Å; N301-V305 WeakPolarHBondContact O-CG2 3.37Å; N301-V305 PolarHBondContact O-N 3.15Å
302	D	98.1	Very high	98.2	Very high	135 Å²	135	47.1 Å²	47.1	72%	0.722	26%	0.26	S	S	*	.	H	α-helix	trans	-54.2	-29.8	179.2	-89	-40.9	0	0	0	113.7	A306	D302-A306 VanDerWaalsContact O-CB 3.26Å; D302-A306 WeakPolarHBondContact O-CB 3.4Å; D302-A306 PolarHBondContact O-N 3.19Å
303	S	98.1	Very high	98.1	Very high	77 Å²	77	47.9 Å²	47.9	54%	0.538	27%	0.266	S	S	.	.	H	α-helix	trans	-74.9	-38.1	179.7	75.5	0	0	0	0	112	N301 A306 R307	N301-S303 PolarHBondContact O-N 3.32Å; N301-S303 VanDerWaalsContact O-N 3.09Å; N301-S303 PolarHBondContact OD1-N 2.93Å; N301-S303 VanDerWaalsContact OD1-N 3.08Å; N301-S303 PolarHBondContact OD1-OG 2.72Å; S303-A306 WeakPolarHBondContact O-CB 3.23Å; S303-A306 PolarHBondContact O-N 3.07Å; S303-R307 PolarHBondContact O-N 2.97Å
304	E	98.3	Very high	98.1	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-72.7	-39.7	175	-170.6	69.6	173.5	0	0	111.7	H297 N301 A306 R307 I308 F333 R334	H297-E304 HydrophobicContact CB-CG 4.38Å; H297-E304 IonicContact CD2-OE1 3.4Å; H297-E304 IonicContact CD2-OE2 3.55Å; N301-E304 HydrophobicContact CB-CB 4.02Å; N301-E304 PolarHBondContact O-N 2.72Å; N301-E304 VanDerWaalsContact O-N 3.09Å; N301-E304 PolarHBondContact OD1-N 3.07Å; E304-A306 PolarHBondContact O-N 2.77Å; E304-R307 WeakPolarHBondContact O-CB 3.26Å; E304-R307 PolarHBondContact O-N 3.26Å; E304-R307 IonicContact OE1-CZ 3.89Å; E304-R307 VanDerWaalsContact OE1-CZ 3.29Å; E304-R307 IonicContact OE1-NE 2.73Å; E304-R307 PolarHBondContact OE1-NE 2.87Å; E304-R307 VanDerWaalsContact OE1-NE 3.1Å; E304-R307 IonicContact OE1-NH2 3.86Å; E304-R307 PolarHBondContact OE1-NH2 3.27Å; E304-R307 IonicContact OE2-CZ 2.73Å; E304-R307 IonicContact OE2-NE 2.69Å; E304-R307 PolarHBondContact OE2-NE 3.43Å; E304-R307 IonicContact OE2-NH2 3.29Å; E304-I308 HydrophobicContact CG-CD1 4.46Å; E304-I308 PolarHBondContact O-N 3.06Å; E304-F333 HydrophobicContact CG-CB 3.77Å; E304-F333 HydrophobicContact CG-CD2 3.8Å; E304-F333 HydrophobicContact CG-CG 4.32Å; E304-R334 WeakPolarHBondContact OE1-CG 3.29Å; E304-R334 IonicContact OE1-CZ 3.37Å; E304-R334 IonicContact OE1-NE 3.26Å; E304-R334 PolarHBondContact OE1-NE 2.92Å; E304-R334 IonicContact OE1-NH2 3.15Å; E304-R334 IonicContact OE2-CZ 3.1Å; E304-R334 IonicContact OE2-NE 3.27Å; E304-R334 PolarHBondContact OE2-NE 2.69Å; E304-R334 IonicContact OE2-NH2 3.75Å; E304-R334 PolarHBondContact OE2-NH2 3.1Å
305	V	98.4	Very high	98	Very high	9 Å²	9	59.3 Å²	59.3	6%	0.055	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-37	169.4	170.4	0	0	0	0	111.3	A299 N301 R309 I321 F333	A299-V305 WeakPolarHBondContact O-CG2 3.44Å; N301-V305 WeakPolarHBondContact O-CG2 3.37Å; N301-V305 PolarHBondContact O-N 3.15Å; V305-R309 VanDerWaalsContact CG1-CZ 3.44Å; V305-R309 WeakPolarHBondContact O-CB 3.3Å; V305-R309 VanDerWaalsContact O-CD 3.3Å; V305-R309 WeakPolarHBondContact O-CD 3.18Å; V305-R309 WeakPolarHBondContact O-CG 3.46Å; V305-R309 PolarHBondContact O-N 3.16Å; V305-I321 HydrophobicContact CB-CD1 4.29Å; V305-I321 HydrophobicContact CG1-CD1 4.16Å; V305-I321 HydrophobicContact CG2-CD1 4.17Å; V305-F333 HydrophobicContact CG2-CE2 3.9Å
306	A	98.3	Very high	98	Very high	56 Å²	56	56.1 Å²	56.1	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-72.2	-43	174.7	0	0	0	0	0	112.3	D302 S303 E304 R309 S310	D302-A306 VanDerWaalsContact O-CB 3.26Å; D302-A306 WeakPolarHBondContact O-CB 3.4Å; D302-A306 PolarHBondContact O-N 3.19Å; S303-A306 WeakPolarHBondContact O-CB 3.23Å; S303-A306 PolarHBondContact O-N 3.07Å; E304-A306 PolarHBondContact O-N 2.77Å; A306-R309 CarbonylContact O-C 3.59Å; A306-R309 PolarHBondContact O-N 2.8Å; A306-S310 PolarHBondContact O-N 3.05Å; A306-S310 VanDerWaalsContact O-N 3.09Å; A306-S310 PolarHBondContact O-OG 2.76Å
307	R	98.3	Very high	97.9	Very high	45 Å²	45	60.5 Å²	60.5	17%	0.17	33%	0.326	C	S	.	.	H	α-helix	trans	-52	-60.7	176.1	-177.7	-173.7	70.2	75.7	2.6	110.9	S303 E304 R309 S310 E311 F333	S303-R307 PolarHBondContact O-N 2.97Å; E304-R307 WeakPolarHBondContact O-CB 3.26Å; E304-R307 PolarHBondContact O-N 3.26Å; E304-R307 IonicContact OE1-CZ 3.89Å; E304-R307 VanDerWaalsContact OE1-CZ 3.29Å; E304-R307 IonicContact OE1-NE 2.73Å; E304-R307 PolarHBondContact OE1-NE 2.87Å; E304-R307 VanDerWaalsContact OE1-NE 3.1Å; E304-R307 IonicContact OE1-NH2 3.86Å; E304-R307 PolarHBondContact OE1-NH2 3.27Å; E304-R307 IonicContact OE2-CZ 2.73Å; E304-R307 IonicContact OE2-NE 2.69Å; E304-R307 PolarHBondContact OE2-NE 3.43Å; E304-R307 IonicContact OE2-NH2 3.29Å; R307-R309 VanDerWaalsContact C-N 3.28Å; R307-R309 PolarHBondContact O-N 2.91Å; R307-S310 WeakPolarHBondContact O-CA 3.34Å; R307-S310 PolarHBondContact O-N 3.3Å; R307-S310 PolarHBondContact O-OG 3.23Å; R307-E311 WeakPolarHBondContact CG-OE1 3.27Å; R307-E311 IonicContact CZ-OE1 2.83Å; R307-E311 IonicContact CZ-OE2 3.26Å; R307-E311 IonicContact NH1-OE1 3.62Å; R307-E311 PolarHBondContact NH1-OE1 3.44Å; R307-E311 IonicContact NH1-OE2 3.35Å; R307-E311 PolarHBondContact NH1-OE2 2.8Å; R307-E311 PolarHBondContact O-N 2.87Å; R307-E311 VanDerWaalsContact O-N 3.1Å; R307-F333 PolarHBondContact NH2-O 2.79Å
308	I	98.3	Very high	97.8	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-57.6	-41.4	-179.6	-69.3	164.6	0	0	0	111.3	E304 S310 E311 H312 V320 I321 L326 F333	E304-I308 HydrophobicContact CG-CD1 4.46Å; E304-I308 PolarHBondContact O-N 3.06Å; I308-S310 PolarHBondContact O-N 3.25Å; I308-E311 PolarHBondContact O-N 2.89Å; I308-H312 PolarHBondContact O-CD2 3.23Å; I308-H312 VanDerWaalsContact O-CD2 3.32Å; I308-V320 HydrophobicContact CG2-CB 3.78Å; I308-V320 HydrophobicContact CG2-CG1 4.4Å; I308-V320 HydrophobicContact CG2-CG2 4.02Å; I308-I321 HydrophobicContact CB-CD1 4.27Å; I308-I321 HydrophobicContact CD1-CD1 4.3Å; I308-I321 HydrophobicContact CG2-CD1 4.18Å; I308-I321 HydrophobicContact CG2-CG1 4.26Å; I308-L326 HydrophobicContact CD1-CD1 4.16Å; I308-L326 HydrophobicContact CG2-CD1 4.28Å; I308-F333 HydrophobicContact CD1-CB 3.73Å; I308-F333 HydrophobicContact CD1-CD2 3.54Å; I308-F333 HydrophobicContact CD1-CE2 4.24Å; I308-F333 HydrophobicContact CD1-CG 3.68Å
309	R	98.1	Very high	97.8	Very high	94 Å²	94	70.3 Å²	70.3	36%	0.355	37%	0.37	S	S	.	.	H	α-helix	trans	-70.1	-7.4	177.3	-73.6	174.4	172.9	156.1	5.7	114.6	V305 A306 R307 R317 V320	V305-R309 VanDerWaalsContact CG1-CZ 3.44Å; V305-R309 WeakPolarHBondContact O-CB 3.3Å; V305-R309 VanDerWaalsContact O-CD 3.3Å; V305-R309 WeakPolarHBondContact O-CD 3.18Å; V305-R309 WeakPolarHBondContact O-CG 3.46Å; V305-R309 PolarHBondContact O-N 3.16Å; A306-R309 CarbonylContact O-C 3.59Å; A306-R309 PolarHBondContact O-N 2.8Å; R307-R309 VanDerWaalsContact C-N 3.28Å; R307-R309 PolarHBondContact O-N 2.91Å; R309-R317 HydrophobicContact CB-CG 4.38Å; R309-R317 HydrophobicContact CG-CG 4.11Å; R309-V320 HydrophobicContact CG-CG2 3.87Å
310	S	98.1	Very high	97.8	Very high	94 Å²	94	69.4 Å²	69.4	66%	0.657	36%	0.363	S	S	*	.	H	α-helix	trans	-105.8	-22.4	176.2	71.2	0	0	0	0	113.7	A306 R307 I308	A306-S310 PolarHBondContact O-N 3.05Å; A306-S310 VanDerWaalsContact O-N 3.09Å; A306-S310 PolarHBondContact O-OG 2.76Å; R307-S310 WeakPolarHBondContact O-CA 3.34Å; R307-S310 PolarHBondContact O-N 3.3Å; R307-S310 PolarHBondContact O-OG 3.23Å; I308-S310 PolarHBondContact O-N 3.25Å
311	E	98.3	Very high	97.9	Very high	103 Å²	103	63.9 Å²	63.9	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-75.6	-29.5	176.1	-71.9	167	179.3	0	0	112.6	R307 I308	R307-E311 WeakPolarHBondContact CG-OE1 3.27Å; R307-E311 IonicContact CZ-OE1 2.83Å; R307-E311 IonicContact CZ-OE2 3.26Å; R307-E311 IonicContact NH1-OE1 3.62Å; R307-E311 PolarHBondContact NH1-OE1 3.44Å; R307-E311 IonicContact NH1-OE2 3.35Å; R307-E311 PolarHBondContact NH1-OE2 2.8Å; R307-E311 PolarHBondContact O-N 2.87Å; R307-E311 VanDerWaalsContact O-N 3.1Å; I308-E311 PolarHBondContact O-N 2.89Å
312	H	98.3	Very high	97.8	Very high	14 Å²	14	67.8 Å²	67.8	7%	0.065	35%	0.35	C	S	.	.	S	Bend	trans	-103.6	154.5	179.8	-60.2	-73.9	0	0	0	113.4	I308 E316 V320 T374 P376 Y377	I308-H312 PolarHBondContact O-CD2 3.23Å; I308-H312 VanDerWaalsContact O-CD2 3.32Å; H312-E316 HydrophobicContact CB-CB 4.32Å; H312-V320 HydrophobicContact CB-CG1 3.77Å; H312-T374 PolarHBondContact CE1-O 3.16Å; H312-T374 PolarHBondContact ND1-O 3.31Å; H312-T374 PolarHBondContact ND1-OG1 3.17Å; H312-P376 PolarHBondContact CE1-O 2.75Å; H312-P376 VanDerWaalsContact CE1-O 3.31Å; H312-Y377 AromaticContact CD2-CD1 3.85Å; H312-Y377 AromaticContact CE1-CD1 3.18Å; H312-Y377 WeakPolarHBondContact CE1-CD1 3.33Å; H312-Y377 AromaticContact CE1-CE1 3.39Å; H312-Y377 WeakPolarHBondContact CE1-CE1 3.18Å; H312-Y377 AromaticContact CE1-CG 3.63Å; H312-Y377 AromaticContact CG-CE1 3.94Å; H312-Y377 AromaticContact ND1-CD1 3.79Å; H312-Y377 AromaticContact ND1-CE1 3.5Å; H312-Y377 AromaticContact NE2-CD1 3.18Å; H312-Y377 WeakPolarHBondContact NE2-CD1 3.4Å; H312-Y377 AromaticContact NE2-CE1 3.72Å; H312-Y377 AromaticContact NE2-CG 3.8Å
313	P	98.3	Very high	97.8	Very high	61 Å²	61	68.7 Å²	68.7	40%	0.396	35%	0.35	S	S	.	.			trans	-54.4	147.5	176.2	-26.6	35.1	0	0	0	113.9	S315 E316 T374	P313-S315 PolarHBondContact O-N 2.99Å; P313-E316 WeakPolarHBondContact O-CB 3.36Å; P313-E316 PolarHBondContact O-N 3.34Å; P313-T374 WeakPolarHBondContact CD-OG1 3.5Å; P313-T374 HydrophobicContact CG-CG2 3.91Å
314	H	97.2	Very high	97.7	Very high	152 Å²	152	69.8 Å²	69.8	70%	0.704	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-56.5	-27	-175.2	-167	99.2	0	0	0	114.3	E316 R317	H314-E316 PolarHBondContact O-N 3.3Å; H314-R317 WeakPolarHBondContact O-CB 3.36Å; H314-R317 PolarHBondContact O-N 2.93Å
315	S	97.8	Very high	97.7	Very high	105 Å²	105	74.5 Å²	74.5	73%	0.734	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-56.8	-32.5	171.9	40.9	0	0	0	0	113.3	P313	P313-S315 PolarHBondContact O-N 2.99Å
316	E	98.1	Very high	97.7	Very high	7 Å²	7	74 Å²	74	3%	0.033	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-91.4	-2.7	-175.1	-56.4	-170.7	-130.3	0	0	113.3	H312 P313 H314 K318 T319 V320 T374 Y377	H312-E316 HydrophobicContact CB-CB 4.32Å; P313-E316 WeakPolarHBondContact O-CB 3.36Å; P313-E316 PolarHBondContact O-N 3.34Å; H314-E316 PolarHBondContact O-N 3.3Å; E316-K318 PolarHBondContact O-N 2.62Å; E316-T319 VanDerWaalsContact CA-OG1 3.3Å; E316-T319 WeakPolarHBondContact CA-OG1 3.13Å; E316-T319 PolarHBondContact O-N 3.25Å; E316-T319 PolarHBondContact O-OG1 2.89Å; E316-V320 HydrophobicContact CB-CG1 3.95Å; E316-V320 WeakPolarHBondContact O-CG1 3.2Å; E316-V320 PolarHBondContact O-N 3.12Å; E316-T374 WeakPolarHBondContact OE1-CG2 3.42Å; E316-T374 PolarHBondContact OE1-OG1 3.43Å; E316-Y377 PolarHBondContact OE2-OH 2.87Å
317	R	96	Very high	97.7	Very high	131 Å²	131	71.4 Å²	71.4	49%	0.494	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.7	-177.3	-175	170.6	175.2	161.8	1.3	114.5	R309 H314	R309-R317 HydrophobicContact CB-CG 4.38Å; R309-R317 HydrophobicContact CG-CG 4.11Å; H314-R317 WeakPolarHBondContact O-CB 3.36Å; H314-R317 PolarHBondContact O-N 2.93Å
318	K	95.8	Very high	97.7	Very high	187 Å²	187	70.4 Å²	70.4	81%	0.813	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-5	175.6	-63.3	-176.7	-179.6	179.3	0	114.4	E316 R322	E316-K318 PolarHBondContact O-N 2.62Å; K318-R322 WeakPolarHBondContact O-CG 3.27Å
319	T	97.7	Very high	97.7	Very high	28 Å²	28	73.1 Å²	73.1	17%	0.172	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-29.7	-175.3	51.7	0	0	0	0	113.2	E316 I321 N371	E316-T319 VanDerWaalsContact CA-OG1 3.3Å; E316-T319 WeakPolarHBondContact CA-OG1 3.13Å; E316-T319 PolarHBondContact O-N 3.25Å; E316-T319 PolarHBondContact O-OG1 2.89Å; T319-I321 PolarHBondContact O-N 3.28Å; T319-N371 HydrophobicContact CG2-CB 3.98Å; T319-N371 WeakPolarHBondContact CG2-OD1 3.15Å
320	V	97.9	Very high	97.6	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.006	35%	0.348	C	S	.	.	S	Bend	trans	-54	-39.1	176.6	-68.9	0	0	0	0	113.1	I308 R309 H312 E316 L327 Y377	I308-V320 HydrophobicContact CG2-CB 3.78Å; I308-V320 HydrophobicContact CG2-CG1 4.4Å; I308-V320 HydrophobicContact CG2-CG2 4.02Å; R309-V320 HydrophobicContact CG-CG2 3.87Å; H312-V320 HydrophobicContact CB-CG1 3.77Å; E316-V320 HydrophobicContact CB-CG1 3.95Å; E316-V320 WeakPolarHBondContact O-CG1 3.2Å; E316-V320 PolarHBondContact O-N 3.12Å; V320-L327 PolarHBondContact O-N 3.11Å; V320-Y377 HydrophobicContact CG1-CD1 4.39Å; V320-Y377 HydrophobicContact CG1-CE1 4.13Å
321	I	98.1	Very high	97.6	Very high	15 Å²	15	67.8 Å²	67.8	8%	0.077	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.5	176.3	-62.1	162.9	0	0	0	107.2	V305 I308 T319 R325 F333	V305-I321 HydrophobicContact CB-CD1 4.29Å; V305-I321 HydrophobicContact CG1-CD1 4.16Å; V305-I321 HydrophobicContact CG2-CD1 4.17Å; I308-I321 HydrophobicContact CB-CD1 4.27Å; I308-I321 HydrophobicContact CD1-CD1 4.3Å; I308-I321 HydrophobicContact CG2-CD1 4.18Å; I308-I321 HydrophobicContact CG2-CG1 4.26Å; T319-I321 PolarHBondContact O-N 3.28Å; I321-R325 WeakPolarHBondContact CA-O 3.48Å; I321-F333 HydrophobicContact CB-CZ 4.47Å; I321-F333 HydrophobicContact CD1-CD2 4.37Å; I321-F333 HydrophobicContact CD1-CE2 3.55Å; I321-F333 HydrophobicContact CD1-CZ 3.86Å; I321-F333 HydrophobicContact CG1-CE2 4.04Å; I321-F333 HydrophobicContact CG1-CZ 3.84Å; I321-F333 HydrophobicContact CG2-CE2 4.48Å; I321-F333 HydrophobicContact CG2-CZ 3.78Å
322	R	97.4	Very high	97.6	Very high	107 Å²	107	63.2 Å²	63.2	40%	0.404	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140	178.7	-68.7	-176.2	61.2	-158	-7.2	109.1	K318 D324 R325 G328	K318-R322 WeakPolarHBondContact O-CG 3.27Å; R322-D324 PolarHBondContact O-N 3.28Å; R322-D324 VanDerWaalsContact O-N 3.16Å; R322-R325 PolarHBondContact N-O 3Å; R322-R325 PolarHBondContact O-N 3.25Å; R322-R325 VanDerWaalsContact O-O 3.09Å; R322-G328 WeakPolarHBondContact O-CA 3.32Å
323	Q	96.6	Very high	97.6	Very high	154 Å²	154	62.6 Å²	62.6	72%	0.72	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	44.2	179.4	-62.5	163.1	-105.5	0	0	111.1	R325	Q323-R325 PolarHBondContact O-N 2.99Å; Q323-R325 VanDerWaalsContact O-N 3.12Å
324	D	97.6	Very high	97.6	Very high	99 Å²	99	61.1 Å²	61.1	53%	0.529	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	25	178.3	-54	-18.4	0	0	0	115	A299 R322	A299-D324 HydrophobicContact CB-CB 3.55Å; A299-D324 WeakPolarHBondContact CB-O 3.16Å; R322-D324 PolarHBondContact O-N 3.28Å; R322-D324 VanDerWaalsContact O-N 3.16Å
325	R	98.4	Very high	97.7	Very high	102 Å²	102	53.9 Å²	53.9	39%	0.385	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.7	-178.4	-72.9	166.3	177.3	-100.6	-6.5	112.5	I321 R322 Q323 L327 G328 L329 L330 M331	I321-R325 WeakPolarHBondContact CA-O 3.48Å; R322-R325 PolarHBondContact N-O 3Å; R322-R325 PolarHBondContact O-N 3.25Å; R322-R325 VanDerWaalsContact O-O 3.09Å; Q323-R325 PolarHBondContact O-N 2.99Å; Q323-R325 VanDerWaalsContact O-N 3.12Å; R325-L327 PolarHBondContact O-N 3.48Å; R325-G328 PolarHBondContact O-N 2.87Å; R325-L329 WeakPolarHBondContact CD-O 3.25Å; R325-L329 PolarHBondContact NH1-O 2.72Å; R325-L330 CarbonylContact C-O 3.53Å; R325-L330 WeakPolarHBondContact CA-O 3.27Å; R325-L330 VanDerWaalsContact CB-O 3.25Å; R325-L330 WeakPolarHBondContact CB-O 3.2Å; R325-M331 HydrophobicContact CG-CG 4.37Å; R325-M331 HydrophobicContact CG-SD 3.66Å; R325-M331 VanDerWaalsContact CZ-CG 3.47Å; R325-M331 PolarHBondContact NE-SD 3.05Å; R325-M331 VanDerWaalsContact NE-SD 3.39Å; R325-M331 VanDerWaalsContact NH2-CG 3.34Å; R325-M331 PolarHBondContact NH2-SD 3.41Å
326	L	98.4	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	123.2	174	-176.3	71	0	0	0	109.5	I308 G328 L329 L330 F333 F341 L378	I308-L326 HydrophobicContact CD1-CD1 4.16Å; I308-L326 HydrophobicContact CG2-CD1 4.28Å; L326-G328 PolarHBondContact O-N 2.73Å; L326-L329 PolarHBondContact O-N 2.94Å; L326-L330 HydrophobicContact CB-CB 4.31Å; L326-L330 HydrophobicContact CD2-CD2 4.49Å; L326-L330 PolarHBondContact N-O 2.77Å; L326-L330 PolarHBondContact O-N 3.38Å; L326-F333 HydrophobicContact CB-CD1 4.08Å; L326-F333 HydrophobicContact CB-CE1 4.22Å; L326-F341 HydrophobicContact CD2-CD1 4.16Å; L326-L378 HydrophobicContact CD2-CB 3.97Å; L326-L378 HydrophobicContact CD2-CD1 3.87Å; L326-L378 HydrophobicContact CD2-CG 4.43Å
327	L	98.2	Very high	97.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	17.3	-168.9	-59.5	175.3	0	0	0	114.9	V320 R325 F341 P369 P370 Y372 Y377	V320-L327 PolarHBondContact O-N 3.11Å; R325-L327 PolarHBondContact O-N 3.48Å; L327-F341 HydrophobicContact CD1-CD1 4.09Å; L327-F341 HydrophobicContact CD1-CE1 4.4Å; L327-P369 HydrophobicContact CB-CB 4.37Å; L327-P369 HydrophobicContact CD1-CB 3.49Å; L327-P369 VanDerWaalsContact CD1-CB 3.49Å; L327-P369 HydrophobicContact CD1-CG 4.28Å; L327-P370 VanDerWaalsContact O-CG 3.29Å; L327-P370 WeakPolarHBondContact O-CG 3.42Å; L327-Y372 HydrophobicContact CD1-CD2 3.7Å; L327-Y372 HydrophobicContact CD1-CE2 4.31Å; L327-Y377 HydrophobicContact CD1-CD1 4.25Å; L327-Y377 HydrophobicContact CD1-CD2 4.05Å; L327-Y377 HydrophobicContact CD1-CE2 4.39Å; L327-Y377 HydrophobicContact CD1-CG 3.97Å; L327-Y377 HydrophobicContact CD2-CD1 3.84Å; L327-Y377 HydrophobicContact CD2-CE1 3.8Å; L327-Y377 HydrophobicContact CD2-CG 4.41Å; L327-Y377 HydrophobicContact CG-CD1 4.25Å; L327-Y377 HydrophobicContact CG-CG 4.39Å
328	G	97.7	Very high	97.9	Very high	25 Å²	25	42.7 Å²	42.7	26%	0.258	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	16.7	-173	0	0	0	0	0	115.3	R322 R325 L326	R322-G328 WeakPolarHBondContact O-CA 3.32Å; R325-G328 PolarHBondContact O-N 2.87Å; L326-G328 PolarHBondContact O-N 2.73Å
329	L	97.3	Very high	98	Very high	57 Å²	57	33.8 Å²	33.8	30%	0.298	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-64.4	-174.2	-58.8	172.9	0	0	0	112.9	R325 L326 F341 F367 P369	R325-L329 WeakPolarHBondContact CD-O 3.25Å; R325-L329 PolarHBondContact NH1-O 2.72Å; L326-L329 PolarHBondContact O-N 2.94Å; L329-F341 HydrophobicContact CB-CE1 4.12Å; L329-F341 HydrophobicContact CB-CZ 3.84Å; L329-F341 HydrophobicContact CD1-CE1 3.88Å; L329-F341 HydrophobicContact CD1-CZ 3.84Å; L329-F367 HydrophobicContact CD1-CE1 3.84Å; L329-F367 HydrophobicContact CD2-CE1 4.03Å; L329-P369 HydrophobicContact CD1-CB 3.85Å; L329-P369 HydrophobicContact CD1-CG 4.19Å
330	L	97.8	Very high	97.9	Very high	17 Å²	17	33.7 Å²	33.7	9%	0.089	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-92.4	139	-167.6	-174.9	66.2	0	0	0	111.7	H130 R325 L326 P332 D338 F341 L378	H130-L330 WeakPolarHBondContact NE2-CD1 3.32Å; R325-L330 CarbonylContact C-O 3.53Å; R325-L330 WeakPolarHBondContact CA-O 3.27Å; R325-L330 VanDerWaalsContact CB-O 3.25Å; R325-L330 WeakPolarHBondContact CB-O 3.2Å; L326-L330 HydrophobicContact CB-CB 4.31Å; L326-L330 HydrophobicContact CD2-CD2 4.49Å; L326-L330 PolarHBondContact N-O 2.77Å; L326-L330 PolarHBondContact O-N 3.38Å; L330-P332 HydrophobicContact CD1-CG 3.95Å; L330-P332 HydrophobicContact CD2-CG 4.4Å; L330-P332 WeakPolarHBondContact CD2-O 3.36Å; L330-P332 HydrophobicContact CG-CG 3.98Å; L330-P332 WeakPolarHBondContact CG-O 3.45Å; L330-D338 WeakPolarHBondContact CD2-OD2 3.23Å; L330-F341 HydrophobicContact CB-CE1 4.29Å; L330-F341 HydrophobicContact CB-CE2 4.28Å; L330-F341 HydrophobicContact CB-CZ 3.87Å; L330-F341 HydrophobicContact CD2-CD2 4.4Å; L330-F341 HydrophobicContact CD2-CE2 4.27Å; L330-L378 HydrophobicContact CD2-CD1 4.07Å; L330-L378 HydrophobicContact CD2-CD2 3.77Å
331	M	97.1	Very high	98	Very high	59 Å²	59	34 Å²	34	29%	0.291	16%	0.162	S	C	.	.	S	Bend	trans	-75	-59.7	175.3	-72	-67.4	-68.1	0	0	111.7	R325 F333	R325-M331 HydrophobicContact CG-CG 4.37Å; R325-M331 HydrophobicContact CG-SD 3.66Å; R325-M331 VanDerWaalsContact CZ-CG 3.47Å; R325-M331 PolarHBondContact NE-SD 3.05Å; R325-M331 VanDerWaalsContact NE-SD 3.39Å; R325-M331 VanDerWaalsContact NH2-CG 3.34Å; R325-M331 PolarHBondContact NH2-SD 3.41Å; M331-F333 WeakPolarHBondContact O-CD1 3.3Å; M331-F333 PolarHBondContact O-N 3.22Å
332	P	98.2	Very high	98	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.045	16%	0.164	C	C	.	.			trans	-65.4	133.1	177.7	22.1	-32.8	0	0	0	111.7	T256 D274 L330 R334	T256-P332 HydrophobicContact CG2-CB 4.1Å; T256-P332 HydrophobicContact CG2-CG 4.29Å; D274-P332 WeakPolarHBondContact OD2-CA 3.27Å; L330-P332 HydrophobicContact CD1-CG 3.95Å; L330-P332 HydrophobicContact CD2-CG 4.4Å; L330-P332 WeakPolarHBondContact CD2-O 3.36Å; L330-P332 HydrophobicContact CG-CG 3.98Å; L330-P332 WeakPolarHBondContact CG-O 3.45Å; P332-R334 VanDerWaalsContact C-N 3.34Å
333	F	98.8	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-89.1	-5	177.4	-73.1	6.3	0	0	0	112.5	H297 S298 A299 E304 V305 R307 I308 I321 L326 M331 L378	H297-F333 HydrophobicContact CB-CB 4.34Å; H297-F333 WeakPolarHBondContact O-CB 3.35Å; H297-F333 PolarHBondContact O-N 3.48Å; S298-F333 VanDerWaalsContact C-CE2 3.43Å; S298-F333 WeakPolarHBondContact O-CE2 3.43Å; A299-F333 HydrophobicContact CB-CE2 4.23Å; A299-F333 HydrophobicContact CB-CZ 3.73Å; E304-F333 HydrophobicContact CG-CB 3.77Å; E304-F333 HydrophobicContact CG-CD2 3.8Å; E304-F333 HydrophobicContact CG-CG 4.32Å; V305-F333 HydrophobicContact CG2-CE2 3.9Å; R307-F333 PolarHBondContact NH2-O 2.79Å; I308-F333 HydrophobicContact CD1-CB 3.73Å; I308-F333 HydrophobicContact CD1-CD2 3.54Å; I308-F333 HydrophobicContact CD1-CE2 4.24Å; I308-F333 HydrophobicContact CD1-CG 3.68Å; I321-F333 HydrophobicContact CB-CZ 4.47Å; I321-F333 HydrophobicContact CD1-CD2 4.37Å; I321-F333 HydrophobicContact CD1-CE2 3.55Å; I321-F333 HydrophobicContact CD1-CZ 3.86Å; I321-F333 HydrophobicContact CG1-CE2 4.04Å; I321-F333 HydrophobicContact CG1-CZ 3.84Å; I321-F333 HydrophobicContact CG2-CE2 4.48Å; I321-F333 HydrophobicContact CG2-CZ 3.78Å; L326-F333 HydrophobicContact CB-CD1 4.08Å; L326-F333 HydrophobicContact CB-CE1 4.22Å; M331-F333 WeakPolarHBondContact O-CD1 3.3Å; M331-F333 PolarHBondContact O-N 3.22Å; F333-L378 WeakPolarHBondContact O-CD1 3.14Å
334	R	98.9	Very high	98.1	Very high	30 Å²	30	25 Å²	25	11%	0.113	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-140.3	134.4	166.5	-56.8	-166	-163.2	167.8	19	110.1	A272 G273 H297 E304 P332 T379 E381	A272-R334 CarbonylContact C-O 3.6Å; A272-R334 HydrophobicContact CB-CB 4.11Å; G273-R334 WeakPolarHBondContact CA-O 3.48Å; G273-R334 PolarHBondContact N-O 2.93Å; H297-R334 HydrophobicContact CB-CB 4.23Å; H297-R334 HydrophobicContact CB-CG 4.07Å; H297-R334 PolarHBondContact CD2-NE 3.17Å; H297-R334 PolarHBondContact CD2-NH2 2.81Å; H297-R334 VanDerWaalsContact NE2-CZ 3.27Å; H297-R334 PolarHBondContact NE2-NH2 2.9Å; E304-R334 WeakPolarHBondContact OE1-CG 3.29Å; E304-R334 IonicContact OE1-CZ 3.37Å; E304-R334 IonicContact OE1-NE 3.26Å; E304-R334 PolarHBondContact OE1-NE 2.92Å; E304-R334 IonicContact OE1-NH2 3.15Å; E304-R334 IonicContact OE2-CZ 3.1Å; E304-R334 IonicContact OE2-NE 3.27Å; E304-R334 PolarHBondContact OE2-NE 2.69Å; E304-R334 IonicContact OE2-NH2 3.75Å; E304-R334 PolarHBondContact OE2-NH2 3.1Å; P332-R334 VanDerWaalsContact C-N 3.34Å; R334-T379 CarbonylContact C-O 3.57Å; R334-T379 WeakPolarHBondContact CA-O 3.25Å; R334-T379 VanDerWaalsContact CB-O 3.27Å; R334-T379 WeakPolarHBondContact CB-O 3.05Å; R334-T379 HydrophobicContact CG-CG2 3.98Å; R334-E381 WeakPolarHBondContact CD-O 3.45Å; R334-E381 PolarHBondContact NH1-O 3.08Å
335	A	98.9	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.			trans	-162.6	153.9	177.7	0	0	0	0	0	110.8	A255 K342 L378 T379	A255-A335 CarbonylContact O-C 3.56Å; A255-A335 WeakPolarHBondContact O-CA 3.49Å; A255-A335 WeakPolarHBondContact O-CB 3.35Å; A335-K342 PolarHBondContact O-NZ 2.86Å; A335-L378 HydrophobicContact CB-CD1 4.5Å; A335-L378 HydrophobicContact CB-CD2 4.33Å; A335-T379 PolarHBondContact N-O 3.16Å; A335-T379 CarbonylContact O-C 3.42Å
336	F	98.9	Very high	98	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	161.6	164.8	-71.6	-99.8	0	0	0	111.3	L139 L143 F223 L226 D227 G254 A255 A257 D338 A380	L139-F336 HydrophobicContact CD1-CB 3.84Å; L139-F336 HydrophobicContact CD1-CD1 4.45Å; L139-F336 HydrophobicContact CD1-CD2 3.44Å; L139-F336 VanDerWaalsContact CD1-CD2 3.44Å; L139-F336 HydrophobicContact CD1-CE2 4.05Å; L139-F336 HydrophobicContact CD1-CG 3.67Å; L139-F336 HydrophobicContact CD2-CB 3.78Å; L139-F336 HydrophobicContact CD2-CD1 3.46Å; L139-F336 VanDerWaalsContact CD2-CD1 3.46Å; L139-F336 HydrophobicContact CD2-CD2 4.01Å; L139-F336 HydrophobicContact CD2-CE1 3.94Å; L139-F336 HydrophobicContact CD2-CE2 4.44Å; L139-F336 HydrophobicContact CD2-CG 3.48Å; L139-F336 VanDerWaalsContact CD2-CG 3.48Å; L139-F336 HydrophobicContact CD2-CZ 4.39Å; L139-F336 HydrophobicContact CG-CB 4.27Å; L139-F336 HydrophobicContact CG-CD2 4.37Å; L139-F336 HydrophobicContact CG-CG 4.18Å; L143-F336 HydrophobicContact CD1-CE1 4.42Å; L143-F336 HydrophobicContact CD1-CZ 4.03Å; L143-F336 HydrophobicContact CD2-CE2 4.27Å; L143-F336 HydrophobicContact CD2-CZ 3.95Å; F223-F336 HydrophobicContact CB-CZ 3.84Å; F223-F336 AromaticContact CD1-CE2 3.53Å; F223-F336 HydrophobicContact CD1-CE2 3.53Å; F223-F336 AromaticContact CD1-CZ 3.46Å; F223-F336 HydrophobicContact CD1-CZ 3.46Å; F223-F336 VanDerWaalsContact CD1-CZ 3.46Å; F223-F336 AromaticContact CE1-CE2 3.98Å; F223-F336 HydrophobicContact CE1-CE2 3.98Å; F223-F336 HydrophobicContact CE1-CZ 4.23Å; F223-F336 HydrophobicContact CG-CE2 4.27Å; F223-F336 AromaticContact CG-CZ 3.72Å; F223-F336 HydrophobicContact CG-CZ 3.72Å; F223-F336 VanDerWaalsContact O-CE1 3.25Å; F223-F336 WeakPolarHBondContact O-CE1 3.41Å; L226-F336 HydrophobicContact CB-CE1 4.11Å; L226-F336 HydrophobicContact CD2-CE1 4.25Å; L226-F336 HydrophobicContact CG-CE1 4.19Å; D227-F336 HydrophobicContact CB-CD1 3.71Å; D227-F336 HydrophobicContact CB-CE1 4.08Å; D227-F336 VanDerWaalsContact OD1-CA 3.29Å; D227-F336 WeakPolarHBondContact OD1-CA 3.46Å; G254-F336 VanDerWaalsContact CA-O 3.26Å; G254-F336 WeakPolarHBondContact CA-O 3.4Å; A255-F336 PolarHBondContact N-O 2.88Å; A255-F336 VanDerWaalsContact N-O 3.16Å; A255-F336 PolarHBondContact O-N 3.1Å; A257-F336 HydrophobicContact CB-CD2 4.16Å; A257-F336 HydrophobicContact CB-CE2 3.68Å; F336-D338 PolarHBondContact O-N 2.95Å; F336-A380 HydrophobicContact CB-CB 4.5Å; F336-A380 HydrophobicContact CD1-CB 3.84Å; F336-A380 HydrophobicContact CD2-CB 4Å; F336-A380 HydrophobicContact CE1-CB 4.03Å; F336-A380 HydrophobicContact CE2-CB 4.17Å; F336-A380 HydrophobicContact CG-CB 3.84Å; F336-A380 HydrophobicContact CZ-CB 4.2Å
337	G	98.7	Very high	97.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.7	-129.5	-179.8	0	0	0	0	0	109.9	D227 A251 V339 K342	D227-G337 PolarHBondContact OD1-N 2.73Å; A251-G337 CarbonylContact O-C 3.33Å; G337-V339 PolarHBondContact O-N 2.96Å; G337-K342 WeakPolarHBondContact O-CD 3.48Å; G337-K342 WeakPolarHBondContact O-CE 3.39Å; G337-K342 PolarHBondContact O-NZ 3.11Å
338	D	98.2	Very high	97.7	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.043	13%	0.129	C	C	.	.			trans	48.6	37.8	175.9	-96.8	-39.8	0	0	0	113.4	H130 A251 S253 L330 F336 K340 F341 L378	H130-D338 IonicContact CD2-OD2 2.96Å; H130-D338 IonicContact CE1-OD2 3.77Å; H130-D338 IonicContact NE2-OD1 2.89Å; H130-D338 IonicContact NE2-OD2 3.78Å; H130-D338 PolarHBondContact NE2-OD2 3.41Å; A251-D338 PolarHBondContact O-N 3.18Å; S253-D338 PolarHBondContact O-N 3.28Å; L330-D338 WeakPolarHBondContact CD2-OD2 3.23Å; F336-D338 PolarHBondContact O-N 2.95Å; D338-K340 PolarHBondContact O-N 3.09Å; D338-F341 HydrophobicContact CB-CD2 4.06Å; D338-F341 PolarHBondContact O-N 3.01Å; D338-L378 HydrophobicContact CB-CD2 3.32Å
339	V	97.8	Very high	97.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-61.1	-16.7	-170.9	-63.2	0	0	0	0	113.8	A251 F252 G337 F341 K342 W343	A251-V339 HydrophobicContact CB-CG1 3.88Å; A251-V339 HydrophobicContact CB-CG2 4.18Å; A251-V339 WeakPolarHBondContact O-CG1 3.19Å; A251-V339 WeakPolarHBondContact O-CG2 3.49Å; A251-V339 PolarHBondContact O-N 3.46Å; F252-V339 HydrophobicContact CD1-CG2 4.06Å; F252-V339 HydrophobicContact CD2-CG2 4.35Å; F252-V339 HydrophobicContact CE1-CG2 4.03Å; F252-V339 HydrophobicContact CE2-CG2 4.32Å; F252-V339 HydrophobicContact CG-CG2 4.22Å; F252-V339 HydrophobicContact CZ-CG2 4.16Å; G337-V339 PolarHBondContact O-N 2.96Å; V339-F341 PolarHBondContact O-N 3.31Å; V339-K342 PolarHBondContact O-N 3.02Å; V339-W343 HydrophobicContact CB-CD2 3.61Å; V339-W343 HydrophobicContact CB-CE3 4.02Å; V339-W343 HydrophobicContact CB-CG 3.94Å; V339-W343 HydrophobicContact CB-CH2 4.33Å; V339-W343 HydrophobicContact CB-CZ2 3.95Å; V339-W343 HydrophobicContact CB-CZ3 4.35Å; V339-W343 HydrophobicContact CG1-CD2 4.25Å; V339-W343 HydrophobicContact CG1-CH2 4.5Å; V339-W343 HydrophobicContact CG1-CZ2 3.81Å; V339-W343 HydrophobicContact CG2-CD2 3.86Å; V339-W343 HydrophobicContact CG2-CE3 3.71Å; V339-W343 HydrophobicContact CG2-CH2 3.81Å; V339-W343 HydrophobicContact CG2-CZ2 3.94Å; V339-W343 HydrophobicContact CG2-CZ3 3.68Å; V339-W343 WeakPolarHBondContact O-CB 3.43Å; V339-W343 PolarHBondContact O-N 3.04Å
340	K	96.1	Very high	97.2	Very high	25 Å²	25	32.8 Å²	32.8	11%	0.109	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-48.5	-33.7	164.6	-177.5	-176.6	-62.4	-61.5	0	114	D338 Q348 H364 T365 F367 P369 Y372	D338-K340 PolarHBondContact O-N 3.09Å; K340-Q348 PolarHBondContact O-NE2 2.93Å; K340-H364 WeakPolarHBondContact CE-O 3.15Å; K340-H364 PolarHBondContact NZ-O 2.83Å; K340-T365 PolarHBondContact NZ-O 3.23Å; K340-F367 PolarHBondContact NZ-O 3.26Å; K340-P369 HydrophobicContact CD-CG 4.23Å; K340-P369 HydrophobicContact CG-CG 3.76Å; K340-Y372 WeakPolarHBondContact O-CE2 3.48Å; K340-Y372 VanDerWaalsContact O-CZ 3.28Å; K340-Y372 PolarHBondContact O-OH 2.87Å; K340-Y372 VanDerWaalsContact O-OH 3.13Å
341	F	98.3	Very high	96.9	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.035	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-98.9	-4.1	180	-62.2	-90.7	0	0	0	113.6	L326 L327 L329 L330 D338 V339 P369 Y372 Y377 L378	L326-F341 HydrophobicContact CD2-CD1 4.16Å; L327-F341 HydrophobicContact CD1-CD1 4.09Å; L327-F341 HydrophobicContact CD1-CE1 4.4Å; L329-F341 HydrophobicContact CB-CE1 4.12Å; L329-F341 HydrophobicContact CB-CZ 3.84Å; L329-F341 HydrophobicContact CD1-CE1 3.88Å; L329-F341 HydrophobicContact CD1-CZ 3.84Å; L330-F341 HydrophobicContact CB-CE1 4.29Å; L330-F341 HydrophobicContact CB-CE2 4.28Å; L330-F341 HydrophobicContact CB-CZ 3.87Å; L330-F341 HydrophobicContact CD2-CD2 4.4Å; L330-F341 HydrophobicContact CD2-CE2 4.27Å; D338-F341 HydrophobicContact CB-CD2 4.06Å; D338-F341 PolarHBondContact O-N 3.01Å; V339-F341 PolarHBondContact O-N 3.31Å; F341-P369 HydrophobicContact CD1-CG 4.18Å; F341-P369 HydrophobicContact CE1-CB 4.49Å; F341-P369 HydrophobicContact CE1-CG 4.16Å; F341-Y372 PolarHBondContact O-OH 3.31Å; F341-Y377 PolarHBondContact O-N 2.79Å; F341-L378 HydrophobicContact CB-CB 3.73Å; F341-L378 HydrophobicContact CB-CD2 3.99Å; F341-L378 HydrophobicContact CD2-CD2 4.39Å; F341-L378 HydrophobicContact CG-CD2 4.41Å
342	K	98.6	Very high	96.4	Very high	27 Å²	27	30.2 Å²	30.2	12%	0.117	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-47.3	-172.5	-58.1	-179.9	179.7	165.8	0	113.3	D227 A335 G337 V339 Y372 P376 L378	D227-K342 IonicContact OD1-NZ 2.8Å; D227-K342 PolarHBondContact OD1-NZ 3.29Å; D227-K342 IonicContact OD2-NZ 3.69Å; D227-K342 PolarHBondContact OD2-NZ 3.27Å; A335-K342 PolarHBondContact O-NZ 2.86Å; G337-K342 WeakPolarHBondContact O-CD 3.48Å; G337-K342 WeakPolarHBondContact O-CE 3.39Å; G337-K342 PolarHBondContact O-NZ 3.11Å; V339-K342 PolarHBondContact O-N 3.02Å; K342-Y372 PolarHBondContact N-OH 3.18Å; K342-P376 HydrophobicContact CB-CB 4.34Å; K342-L378 HydrophobicContact CG-CB 4.23Å
343	W	98.4	Very high	95.8	Very high	13 Å²	13	36.5 Å²	36.5	5%	0.049	17%	0.168	C	C	.	.	S	Bend	trans	-78.1	152.8	-175.9	-71.3	-5.3	0	0	0	113.1	S231 A234 Q235 F252 V339 L347 Q348 V351 Y372	S231-W343 WeakPolarHBondContact O-CZ2 3.24Å; S231-W343 PolarHBondContact OG-NE1 2.96Å; A234-W343 HydrophobicContact CB-CH2 3.87Å; A234-W343 HydrophobicContact CB-CZ2 4.1Å; Q235-W343 HydrophobicContact CG-CH2 4.01Å; Q235-W343 HydrophobicContact CG-CZ2 3.74Å; F252-W343 HydrophobicContact CE2-CZ3 4.19Å; F252-W343 HydrophobicContact CZ-CZ3 4.1Å; V339-W343 HydrophobicContact CB-CD2 3.61Å; V339-W343 HydrophobicContact CB-CE3 4.02Å; V339-W343 HydrophobicContact CB-CG 3.94Å; V339-W343 HydrophobicContact CB-CH2 4.33Å; V339-W343 HydrophobicContact CB-CZ2 3.95Å; V339-W343 HydrophobicContact CB-CZ3 4.35Å; V339-W343 HydrophobicContact CG1-CD2 4.25Å; V339-W343 HydrophobicContact CG1-CH2 4.5Å; V339-W343 HydrophobicContact CG1-CZ2 3.81Å; V339-W343 HydrophobicContact CG2-CD2 3.86Å; V339-W343 HydrophobicContact CG2-CE3 3.71Å; V339-W343 HydrophobicContact CG2-CH2 3.81Å; V339-W343 HydrophobicContact CG2-CZ2 3.94Å; V339-W343 HydrophobicContact CG2-CZ3 3.68Å; V339-W343 WeakPolarHBondContact O-CB 3.43Å; V339-W343 PolarHBondContact O-N 3.04Å; W343-L347 HydrophobicContact CB-CB 4.26Å; W343-L347 HydrophobicContact CB-CD2 3.92Å; W343-L347 HydrophobicContact CB-CG 4.22Å; W343-L347 HydrophobicContact CD2-CD2 3.8Å; W343-L347 HydrophobicContact CD2-CG 3.97Å; W343-L347 HydrophobicContact CE3-CD2 4.4Å; W343-L347 HydrophobicContact CE3-CG 4.05Å; W343-L347 HydrophobicContact CG-CD2 3.57Å; W343-L347 HydrophobicContact CG-CG 4.07Å; W343-Q348 HydrophobicContact CB-CG 3.74Å; W343-Q348 HydrophobicContact CE3-CG 4.12Å; W343-Q348 PolarHBondContact O-NE2 2.89Å; W343-V351 HydrophobicContact CE3-CG2 4.44Å; W343-V351 HydrophobicContact CH2-CB 4.43Å; W343-V351 HydrophobicContact CH2-CG1 4.05Å; W343-V351 HydrophobicContact CH2-CG2 4.13Å; W343-V351 HydrophobicContact CZ3-CB 3.83Å; W343-V351 HydrophobicContact CZ3-CG1 3.8Å; W343-V351 HydrophobicContact CZ3-CG2 3.75Å; W343-Y372 VanDerWaalsContact O-CE1 3.31Å; W343-Y372 WeakPolarHBondContact O-CE1 3.49Å; W343-Y372 PolarHBondContact O-OH 2.83Å
344	S	98.3	Very high	95.1	Very high	46 Å²	46	40.4 Å²	40.4	32%	0.322	20%	0.195	S	C	.	.			trans	-64.2	157.8	169.8	98	0	0	0	0	111.8	E346 L347 Q348	S344-E346 VanDerWaalsContact CB-OE2 3.26Å; S344-E346 WeakPolarHBondContact CB-OE2 3.34Å; S344-E346 PolarHBondContact O-N 3.43Å; S344-E346 PolarHBondContact OG-N 2.81Å; S344-E346 PolarHBondContact OG-OE2 2.77Å; S344-L347 PolarHBondContact O-N 3.17Å; S344-L347 VanDerWaalsContact O-N 3.07Å; S344-L347 PolarHBondContact OG-N 3.17Å; S344-Q348 WeakPolarHBondContact O-CG 3.37Å; S344-Q348 PolarHBondContact O-N 3.23Å
345	I	96.6	Very high	94.1	Very high	45 Å²	45	39.7 Å²	39.7	23%	0.231	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-36.3	-179.1	-60	176.1	0	0	0	110.9	L347 K349 I368 Y372	I345-L347 VanDerWaalsContact C-N 3.33Å; I345-K349 HydrophobicContact CG2-CD 4.1Å; I345-K349 WeakPolarHBondContact O-CB 3.3Å; I345-K349 VanDerWaalsContact O-CG 3.29Å; I345-K349 WeakPolarHBondContact O-CG 3.46Å; I345-K349 PolarHBondContact O-N 3.24Å; I345-I368 HydrophobicContact CD1-CG2 4.02Å; I345-I368 HydrophobicContact CG1-CG2 3.99Å; I345-I368 HydrophobicContact CG2-CD1 4.2Å; I345-I368 HydrophobicContact CG2-CG1 4.31Å; I345-Y372 HydrophobicContact CD1-CD1 4.16Å; I345-Y372 HydrophobicContact CG1-CD1 3.75Å; I345-Y372 HydrophobicContact CG1-CE1 4.14Å
346	E	96.4	Very high	93.2	Very high	112 Å²	112	41.1 Å²	41.1	52%	0.523	21%	0.206	S	C	.	.	H	α-helix	trans	-70.2	-30.5	178.5	-53.9	66.4	-140.8	0	0	111.7	S344 R350	S344-E346 VanDerWaalsContact CB-OE2 3.26Å; S344-E346 WeakPolarHBondContact CB-OE2 3.34Å; S344-E346 PolarHBondContact O-N 3.43Å; S344-E346 PolarHBondContact OG-N 2.81Å; S344-E346 PolarHBondContact OG-OE2 2.77Å; E346-R350 WeakPolarHBondContact O-CB 3.48Å; E346-R350 VanDerWaalsContact O-CG 3.31Å; E346-R350 WeakPolarHBondContact O-CG 3.27Å; E346-R350 PolarHBondContact O-N 3.09Å; E346-R350 PolarHBondContact O-NE 3.46Å
347	L	96	Very high	91.9	Very high	33 Å²	33	47 Å²	47	17%	0.173	24%	0.238	C	C	.	.	H	α-helix	trans	-76.5	-48.5	174.2	-176.9	58.5	0	0	0	111	Q235 W343 S344 I345 K349 R350 V351	Q235-L347 HydrophobicContact CG-CD1 4.11Å; Q235-L347 HydrophobicContact CG-CD2 4.48Å; W343-L347 HydrophobicContact CB-CB 4.26Å; W343-L347 HydrophobicContact CB-CD2 3.92Å; W343-L347 HydrophobicContact CB-CG 4.22Å; W343-L347 HydrophobicContact CD2-CD2 3.8Å; W343-L347 HydrophobicContact CD2-CG 3.97Å; W343-L347 HydrophobicContact CE3-CD2 4.4Å; W343-L347 HydrophobicContact CE3-CG 4.05Å; W343-L347 HydrophobicContact CG-CD2 3.57Å; W343-L347 HydrophobicContact CG-CG 4.07Å; S344-L347 PolarHBondContact O-N 3.17Å; S344-L347 VanDerWaalsContact O-N 3.07Å; S344-L347 PolarHBondContact OG-N 3.17Å; I345-L347 VanDerWaalsContact C-N 3.33Å; L347-K349 VanDerWaalsContact C-N 3.31Å; L347-K349 PolarHBondContact O-N 3.34Å; L347-R350 PolarHBondContact O-N 3.25Å; L347-V351 HydrophobicContact CD1-CG2 4.01Å; L347-V351 HydrophobicContact CG-CG2 4.49Å; L347-V351 WeakPolarHBondContact O-CG2 3.43Å; L347-V351 PolarHBondContact O-N 3.38Å
348	Q	94.1	Very high	90.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-54.6	-46.5	175.9	-66.9	-176.5	42.6	0	0	111.7	K340 W343 S344 L352 I368 Y372	K340-Q348 PolarHBondContact O-NE2 2.93Å; W343-Q348 HydrophobicContact CB-CG 3.74Å; W343-Q348 HydrophobicContact CE3-CG 4.12Å; W343-Q348 PolarHBondContact O-NE2 2.89Å; S344-Q348 WeakPolarHBondContact O-CG 3.37Å; S344-Q348 PolarHBondContact O-N 3.23Å; Q348-L352 WeakPolarHBondContact O-CB 3.41Å; Q348-L352 VanDerWaalsContact O-CG 3.29Å; Q348-L352 WeakPolarHBondContact O-CG 3.5Å; Q348-L352 PolarHBondContact O-N 2.8Å; Q348-L352 VanDerWaalsContact O-N 3.08Å; Q348-I368 HydrophobicContact CB-CD1 4.36Å; Q348-Y372 PolarHBondContact NE2-OH 3.32Å
349	K	91.9	Very high	89	Confident	109 Å²	109	53.3 Å²	53.3	47%	0.474	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-53.9	176.5	-76.2	175.7	-179.5	177	0	112.5	I345 L347 V351 L352 E353	I345-K349 HydrophobicContact CG2-CD 4.1Å; I345-K349 WeakPolarHBondContact O-CB 3.3Å; I345-K349 VanDerWaalsContact O-CG 3.29Å; I345-K349 WeakPolarHBondContact O-CG 3.46Å; I345-K349 PolarHBondContact O-N 3.24Å; L347-K349 VanDerWaalsContact C-N 3.31Å; L347-K349 PolarHBondContact O-N 3.34Å; K349-V351 VanDerWaalsContact C-N 3.31Å; K349-V351 PolarHBondContact O-N 3.49Å; K349-L352 PolarHBondContact O-N 2.83Å; K349-E353 WeakPolarHBondContact O-CB 3.35Å; K349-E353 VanDerWaalsContact O-CG 3.22Å; K349-E353 WeakPolarHBondContact O-CG 3.28Å; K349-E353 PolarHBondContact O-N 3Å
350	R	92.6	Very high	87.2	Confident	149 Å²	149	57.2 Å²	57.2	56%	0.562	29%	0.285	S	S	*	.	H	α-helix	trans	-58.2	-42.1	-178.5	-78.5	178.1	-67.2	162.1	2.9	112.4	E346 L347 E353 S354	E346-R350 WeakPolarHBondContact O-CB 3.48Å; E346-R350 VanDerWaalsContact O-CG 3.31Å; E346-R350 WeakPolarHBondContact O-CG 3.27Å; E346-R350 PolarHBondContact O-N 3.09Å; E346-R350 PolarHBondContact O-NE 3.46Å; L347-R350 PolarHBondContact O-N 3.25Å; R350-E353 PolarHBondContact O-N 2.88Å; R350-S354 WeakPolarHBondContact O-CB 3.3Å; R350-S354 PolarHBondContact O-N 2.92Å; R350-S354 PolarHBondContact O-OG 2.83Å
351	V	91.7	Very high	85.4	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.048	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-43.4	178.4	174.8	0	0	0	0	111.2	Q235 L248 F252 W343 L347 K349 S354 G355	Q235-V351 HydrophobicContact CG-CG2 4.14Å; L248-V351 HydrophobicContact CD2-CG1 3.36Å; F252-V351 HydrophobicContact CE2-CG1 4.38Å; W343-V351 HydrophobicContact CE3-CG2 4.44Å; W343-V351 HydrophobicContact CH2-CB 4.43Å; W343-V351 HydrophobicContact CH2-CG1 4.05Å; W343-V351 HydrophobicContact CH2-CG2 4.13Å; W343-V351 HydrophobicContact CZ3-CB 3.83Å; W343-V351 HydrophobicContact CZ3-CG1 3.8Å; W343-V351 HydrophobicContact CZ3-CG2 3.75Å; L347-V351 HydrophobicContact CD1-CG2 4.01Å; L347-V351 HydrophobicContact CG-CG2 4.49Å; L347-V351 WeakPolarHBondContact O-CG2 3.43Å; L347-V351 PolarHBondContact O-N 3.38Å; K349-V351 VanDerWaalsContact C-N 3.31Å; K349-V351 PolarHBondContact O-N 3.49Å; V351-S354 WeakPolarHBondContact CA-OG 3.22Å; V351-S354 PolarHBondContact O-N 2.75Å; V351-S354 PolarHBondContact O-OG 2.66Å; V351-G355 PolarHBondContact O-N 3.26Å
352	L	86.9	Confident	84	Confident	13 Å²	13	66 Å²	66	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-68.9	-32.2	176.1	-70	171.4	0	0	0	113.4	F252 Q348 K349 K366	F252-L352 HydrophobicContact CE1-CD1 4.46Å; F252-L352 HydrophobicContact CE1-CD2 4.3Å; F252-L352 HydrophobicContact CE1-CG 4.49Å; F252-L352 HydrophobicContact CE2-CD2 3.97Å; F252-L352 HydrophobicContact CE2-CG 4.45Å; F252-L352 HydrophobicContact CZ-CD1 4.25Å; F252-L352 HydrophobicContact CZ-CD2 3.72Å; F252-L352 HydrophobicContact CZ-CG 3.84Å; Q348-L352 WeakPolarHBondContact O-CB 3.41Å; Q348-L352 VanDerWaalsContact O-CG 3.29Å; Q348-L352 WeakPolarHBondContact O-CG 3.5Å; Q348-L352 PolarHBondContact O-N 2.8Å; Q348-L352 VanDerWaalsContact O-N 3.08Å; K349-L352 PolarHBondContact O-N 2.83Å; L352-K366 HydrophobicContact CD1-CG 4.46Å
353	E	86.7	Confident	82.4	Confident	140 Å²	140	71.1 Å²	71.1	65%	0.654	35%	0.354	S	S	*	.	H	α-helix	trans	-73.4	-27	175	-73.1	163.3	-165.8	0	0	112.4	K349 R350	K349-E353 WeakPolarHBondContact O-CB 3.35Å; K349-E353 VanDerWaalsContact O-CG 3.22Å; K349-E353 WeakPolarHBondContact O-CG 3.28Å; K349-E353 PolarHBondContact O-N 3Å; R350-E353 PolarHBondContact O-N 2.88Å
354	S	83.7	Confident	81.1	Confident	81 Å²	81	77.9 Å²	77.9	57%	0.566	39%	0.385	S	S	*	.	H	α-helix	trans	-89.6	-13.9	173.2	61.6	0	0	0	0	114.7	R350 V351	R350-S354 WeakPolarHBondContact O-CB 3.3Å; R350-S354 PolarHBondContact O-N 2.92Å; R350-S354 PolarHBondContact O-OG 2.83Å; V351-S354 WeakPolarHBondContact CA-OG 3.22Å; V351-S354 PolarHBondContact O-N 2.75Å; V351-S354 PolarHBondContact O-OG 2.66Å
355	G	77.9	Confident	79.8	Confident	16 Å²	16	76.2 Å²	76.2	17%	0.165	37%	0.373	C	S	.	.	S	Bend	trans	-81.5	175.7	-171.3	0	0	0	0	0	114.4	V351	V351-G355 PolarHBondContact O-N 3.26Å
356	P	78.9	Confident	78.9	Confident	29 Å²	29	77.3 Å²	77.3	19%	0.188	38%	0.376	C	S	.	.			trans	-62.1	143.1	175.5	-20.7	32.8	0	0	0	112.4	Q358 L359 H360	P356-Q358 PolarHBondContact O-N 2.93Å; P356-L359 PolarHBondContact O-N 3.02Å; P356-H360 PolarHBondContact O-N 3.01Å
357	D	72.1	Confident	78.5	Confident	125 Å²	125	76.9 Å²	76.9	67%	0.668	37%	0.373	S	S	*	.	H	α-helix	trans	-49.4	-34.4	-179.7	-60.5	-58.3	0	0	0	113.1	L359 H360 E361	D357-L359 PolarHBondContact O-N 3.08Å; D357-H360 CarbonylContact O-C 3.49Å; D357-H360 WeakPolarHBondContact O-CA 3.42Å; D357-H360 WeakPolarHBondContact O-CB 3.38Å; D357-H360 PolarHBondContact O-N 3.07Å; D357-E361 PolarHBondContact O-N 3.26Å
358	Q	69.5	Low	78.4	Confident	128 Å²	128	77.5 Å²	77.5	60%	0.598	38%	0.376	S	S	*	.	H	α-helix	trans	-60.3	-27.8	178.7	-64.6	163.7	1.4	0	0	114	Y245 P356	Y245-Q358 HydrophobicContact CE2-CB 4.43Å; P356-Q358 PolarHBondContact O-N 2.93Å
359	L	66	Low	78.5	Confident	12 Å²	12	77.8 Å²	77.8	6%	0.063	38%	0.378	C	S	.	.	H	α-helix	trans	-90.7	-25.4	171.9	-69.7	174.1	0	0	0	112.2	Y245 L248 P356 D357 T365	Y245-L359 HydrophobicContact CD2-CD1 3.85Å; Y245-L359 HydrophobicContact CD2-CD2 4.3Å; Y245-L359 HydrophobicContact CD2-CG 3.85Å; Y245-L359 HydrophobicContact CE2-CD1 4.16Å; Y245-L359 HydrophobicContact CE2-CD2 3.76Å; Y245-L359 HydrophobicContact CE2-CG 3.7Å; L248-L359 HydrophobicContact CB-CD1 3.43Å; L248-L359 VanDerWaalsContact CB-CD1 3.43Å; L248-L359 HydrophobicContact CD1-CD1 3.6Å; L248-L359 HydrophobicContact CG-CD1 4.12Å; P356-L359 PolarHBondContact O-N 3.02Å; D357-L359 PolarHBondContact O-N 3.08Å; L359-T365 HydrophobicContact CD2-CG2 4.2Å; L359-T365 PolarHBondContact O-OG1 2.9Å
360	H	59.9	Low	78.7	Confident	82 Å²	82	74.7 Å²	74.7	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-74	-31.2	173.9	178.9	-105.2	0	0	0	112.3	P356 D357 N362 K366	P356-H360 PolarHBondContact O-N 3.01Å; D357-H360 CarbonylContact O-C 3.49Å; D357-H360 WeakPolarHBondContact O-CA 3.42Å; D357-H360 WeakPolarHBondContact O-CB 3.38Å; D357-H360 PolarHBondContact O-N 3.07Å; H360-N362 VanDerWaalsContact C-N 3.27Å; H360-N362 PolarHBondContact O-N 3.01Å; H360-K366 WeakPolarHBondContact CD2-CE 3.39Å; H360-K366 PolarHBondContact CD2-NZ 3.32Å; H360-K366 PolarHBondContact CE1-NZ 2.86Å; H360-K366 WeakPolarHBondContact NE2-CE 3.36Å; H360-K366 PolarHBondContact NE2-NZ 3.29Å; H360-K366 WeakPolarHBondContact O-CD 3.29Å; H360-K366 WeakPolarHBondContact O-CE 3.48Å; H360-K366 PolarHBondContact O-NZ 2.92Å
361	E	59.5	Low	78.9	Confident	156 Å²	156	70 Å²	70	73%	0.729	36%	0.355	S	S	*	.	S	Bend	trans	-77.1	-9.7	174.9	-69.7	-173	159.3	0	0	113.8	D357 E363	D357-E361 PolarHBondContact O-N 3.26Å; E361-E363 PolarHBondContact O-N 3.37Å
362	N	67.4	Low	79.2	Confident	63 Å²	63	70.3 Å²	70.3	34%	0.337	36%	0.355	S	S	.	.			trans	-89.1	102.4	-180	-171.3	-13.9	0	0	0	111.8	H360 H364 T365 K366	H360-N362 VanDerWaalsContact C-N 3.27Å; H360-N362 PolarHBondContact O-N 3.01Å; N362-H364 PolarHBondContact O-N 3.32Å; N362-H364 VanDerWaalsContact O-N 3.09Å; N362-H364 WeakPolarHBondContact OD1-CB 3.39Å; N362-H364 PolarHBondContact OD1-N 3.31Å; N362-T365 HydrophobicContact CB-CG2 4.03Å; N362-T365 PolarHBondContact O-N 2.99Å; N362-T365 PolarHBondContact O-OG1 3Å; N362-K366 PolarHBondContact O-N 2.81Å
363	E	66.3	Low	79.7	Confident	134 Å²	134	75.7 Å²	75.7	63%	0.626	38%	0.38	S	S	*	.	H	α-helix	trans	-58.9	-24.3	178.6	-67.8	-64.4	113.4	0	0	113.7	E361 K366 F367	E361-E363 PolarHBondContact O-N 3.37Å; E363-K366 WeakPolarHBondContact OE1-CD 3.49Å; E363-K366 IonicContact OE1-NZ 3.81Å; E363-F367 PolarHBondContact O-N 2.99Å; E363-F367 VanDerWaalsContact O-N 3.08Å
364	H	69.6	Low	80.2	Confident	154 Å²	154	71.5 Å²	71.5	71%	0.713	36%	0.364	S	S	*	.	H	α-helix	trans	-71.2	-30.3	175.7	-61.9	-83.7	0	0	0	113.2	K340 N362	K340-H364 WeakPolarHBondContact CE-O 3.15Å; K340-H364 PolarHBondContact NZ-O 2.83Å; N362-H364 PolarHBondContact O-N 3.32Å; N362-H364 VanDerWaalsContact O-N 3.09Å; N362-H364 WeakPolarHBondContact OD1-CB 3.39Å; N362-H364 PolarHBondContact OD1-N 3.31Å
365	T	71.7	Confident	80.9	Confident	12 Å²	12	69.8 Å²	69.8	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-73.4	-43.3	175.4	62.8	0	0	0	0	110.1	K340 L359 N362 F367	K340-T365 PolarHBondContact NZ-O 3.23Å; L359-T365 HydrophobicContact CD2-CG2 4.2Å; L359-T365 PolarHBondContact O-OG1 2.9Å; N362-T365 HydrophobicContact CB-CG2 4.03Å; N362-T365 PolarHBondContact O-N 2.99Å; N362-T365 PolarHBondContact O-OG1 3Å; T365-F367 VanDerWaalsContact C-N 3.32Å; T365-F367 PolarHBondContact O-N 3.2Å
366	K	78.9	Confident	81.9	Confident	67 Å²	67	73 Å²	73	29%	0.291	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-28.5	176.9	-77.7	173.2	157.3	168.2	0	115	L352 H360 N362 E363 I368	L352-K366 HydrophobicContact CD1-CG 4.46Å; H360-K366 WeakPolarHBondContact CD2-CE 3.39Å; H360-K366 PolarHBondContact CD2-NZ 3.32Å; H360-K366 PolarHBondContact CE1-NZ 2.86Å; H360-K366 WeakPolarHBondContact NE2-CE 3.36Å; H360-K366 PolarHBondContact NE2-NZ 3.29Å; H360-K366 WeakPolarHBondContact O-CD 3.29Å; H360-K366 WeakPolarHBondContact O-CE 3.48Å; H360-K366 PolarHBondContact O-NZ 2.92Å; N362-K366 PolarHBondContact O-N 2.81Å; E363-K366 WeakPolarHBondContact OE1-CD 3.49Å; E363-K366 IonicContact OE1-NZ 3.81Å; K366-I368 PolarHBondContact O-N 2.83Å; K366-I368 VanDerWaalsContact O-N 3.13Å
367	F	88	Confident	82.8	Confident	103 Å²	103	71.8 Å²	71.8	45%	0.452	36%	0.36	S	S	.	.			trans	-61.8	113	-178	178.5	-100.1	0	0	0	112.4	L329 K340 E363 T365	L329-F367 HydrophobicContact CD1-CE1 3.84Å; L329-F367 HydrophobicContact CD2-CE1 4.03Å; K340-F367 PolarHBondContact NZ-O 3.26Å; E363-F367 PolarHBondContact O-N 2.99Å; E363-F367 VanDerWaalsContact O-N 3.08Å; T365-F367 VanDerWaalsContact C-N 3.32Å; T365-F367 PolarHBondContact O-N 3.2Å
368	I	93.9	Very high	84.1	Confident	46 Å²	46	66.3 Å²	66.3	24%	0.236	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-80.5	134.9	171.8	-55.8	-59.4	0	0	0	109.1	I345 Q348 K366 Y372	I345-I368 HydrophobicContact CD1-CG2 4.02Å; I345-I368 HydrophobicContact CG1-CG2 3.99Å; I345-I368 HydrophobicContact CG2-CD1 4.2Å; I345-I368 HydrophobicContact CG2-CG1 4.31Å; Q348-I368 HydrophobicContact CB-CD1 4.36Å; K366-I368 PolarHBondContact O-N 2.83Å; K366-I368 VanDerWaalsContact O-N 3.13Å; I368-Y372 HydrophobicContact CG2-CD1 4.08Å; I368-Y372 HydrophobicContact CG2-CG 4.37Å
369	P	95.8	Very high	85.5	Confident	6 Å²	6	62 Å²	62	4%	0.039	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-56.3	151.3	178.2	-28	36.8	0	0	0	114.1	L327 L329 K340 F341 Y372	L327-P369 HydrophobicContact CB-CB 4.37Å; L327-P369 HydrophobicContact CD1-CB 3.49Å; L327-P369 VanDerWaalsContact CD1-CB 3.49Å; L327-P369 HydrophobicContact CD1-CG 4.28Å; L329-P369 HydrophobicContact CD1-CB 3.85Å; L329-P369 HydrophobicContact CD1-CG 4.19Å; K340-P369 HydrophobicContact CD-CG 4.23Å; K340-P369 HydrophobicContact CG-CG 3.76Å; F341-P369 HydrophobicContact CD1-CG 4.18Å; F341-P369 HydrophobicContact CE1-CB 4.49Å; F341-P369 HydrophobicContact CE1-CG 4.16Å; P369-Y372 HydrophobicContact CB-CD2 3.93Å; P369-Y372 HydrophobicContact CB-CG 4.38Å; P369-Y372 HydrophobicContact CG-CD2 4.01Å; P369-Y372 HydrophobicContact CG-CE2 4.22Å; P369-Y372 VanDerWaalsContact O-CB 3.32Å; P369-Y372 WeakPolarHBondContact O-CB 3.3Å
370	P	95.4	Very high	87	Confident	45 Å²	45	61.5 Å²	61.5	29%	0.292	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	141.9	177.9	33	-34.7	0	0	0	110.7	L327 Y372	L327-P370 VanDerWaalsContact O-CG 3.29Å; L327-P370 WeakPolarHBondContact O-CG 3.42Å; P370-Y372 VanDerWaalsContact C-N 3.28Å; P370-Y372 PolarHBondContact O-N 3.16Å
371	N	96.7	Very high	88.9	Confident	49 Å²	49	60.6 Å²	60.6	26%	0.262	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	28.5	-177.8	-29.5	-87.4	0	0	0	114	T319 H373 Y377	T319-N371 HydrophobicContact CG2-CB 3.98Å; T319-N371 WeakPolarHBondContact CG2-OD1 3.15Å; N371-H373 VanDerWaalsContact C-CD2 3.49Å; N371-H373 WeakPolarHBondContact CA-NE2 3.42Å; N371-H373 PolarHBondContact O-CD2 3.12Å; N371-H373 PolarHBondContact O-N 3.01Å; N371-Y377 PolarHBondContact O-OH 2.81Å
372	Y	97.8	Very high	90.8	Very high	16 Å²	16	53.4 Å²	53.4	6%	0.063	27%	0.274	C	S	.	.			trans	-78	85.1	-179.5	-160.2	-111.2	0	0	0	111.1	L327 K340 F341 K342 W343 I345 Q348 I368 P369 P370 P375 Y377	L327-Y372 HydrophobicContact CD1-CD2 3.7Å; L327-Y372 HydrophobicContact CD1-CE2 4.31Å; K340-Y372 WeakPolarHBondContact O-CE2 3.48Å; K340-Y372 VanDerWaalsContact O-CZ 3.28Å; K340-Y372 PolarHBondContact O-OH 2.87Å; K340-Y372 VanDerWaalsContact O-OH 3.13Å; F341-Y372 PolarHBondContact O-OH 3.31Å; K342-Y372 PolarHBondContact N-OH 3.18Å; W343-Y372 VanDerWaalsContact O-CE1 3.31Å; W343-Y372 WeakPolarHBondContact O-CE1 3.49Å; W343-Y372 PolarHBondContact O-OH 2.83Å; I345-Y372 HydrophobicContact CD1-CD1 4.16Å; I345-Y372 HydrophobicContact CG1-CD1 3.75Å; I345-Y372 HydrophobicContact CG1-CE1 4.14Å; Q348-Y372 PolarHBondContact NE2-OH 3.32Å; I368-Y372 HydrophobicContact CG2-CD1 4.08Å; I368-Y372 HydrophobicContact CG2-CG 4.37Å; P369-Y372 HydrophobicContact CB-CD2 3.93Å; P369-Y372 HydrophobicContact CB-CG 4.38Å; P369-Y372 HydrophobicContact CG-CD2 4.01Å; P369-Y372 HydrophobicContact CG-CE2 4.22Å; P369-Y372 VanDerWaalsContact O-CB 3.32Å; P369-Y372 WeakPolarHBondContact O-CB 3.3Å; P370-Y372 VanDerWaalsContact C-N 3.28Å; P370-Y372 PolarHBondContact O-N 3.16Å; Y372-P375 HydrophobicContact CD1-CG 4.35Å; Y372-P375 HydrophobicContact CE1-CB 3.8Å; Y372-P375 HydrophobicContact CE1-CG 3.84Å; Y372-P375 HydrophobicContact CE2-CB 3.94Å; Y372-P375 VanDerWaalsContact CZ-CB 3.47Å; Y372-P375 WeakPolarHBondContact OH-CB 3.18Å; Y372-Y377 AromaticContact CD2-CD2 3.51Å; Y372-Y377 HydrophobicContact CD2-CD2 3.51Å; Y372-Y377 AromaticContact CD2-CE2 3.42Å; Y372-Y377 HydrophobicContact CD2-CE2 3.42Å; Y372-Y377 VanDerWaalsContact CD2-CE2 3.42Å; Y372-Y377 AromaticContact CE2-CD2 3.42Å; Y372-Y377 HydrophobicContact CE2-CD2 3.42Å; Y372-Y377 VanDerWaalsContact CE2-CD2 3.42Å; Y372-Y377 AromaticContact CE2-CE2 3.77Å; Y372-Y377 HydrophobicContact CE2-CE2 3.77Å; Y372-Y377 HydrophobicContact CG-CE2 4.07Å
373	H	97.6	Very high	92.2	Very high	125 Å²	125	53.2 Å²	53.2	58%	0.579	27%	0.271	S	S	*	.			trans	-110.9	-39.3	-171.5	-59	-54.9	0	0	0	114.1	N371 P375 Y377	N371-H373 VanDerWaalsContact C-CD2 3.49Å; N371-H373 WeakPolarHBondContact CA-NE2 3.42Å; N371-H373 PolarHBondContact O-CD2 3.12Å; N371-H373 PolarHBondContact O-N 3.01Å; H373-P375 VanDerWaalsContact C-CD 3.47Å; H373-Y377 PolarHBondContact N-OH 3.44Å
374	T	98.1	Very high	93.8	Very high	52 Å²	52	47.4 Å²	47.4	32%	0.319	24%	0.244	S	C	.	.	S	Bend	trans	-129.7	61.2	-177.2	53	0	0	0	0	112.7	H312 P313 E316 Y377	H312-T374 PolarHBondContact CE1-O 3.16Å; H312-T374 PolarHBondContact ND1-O 3.31Å; H312-T374 PolarHBondContact ND1-OG1 3.17Å; P313-T374 WeakPolarHBondContact CD-OG1 3.5Å; P313-T374 HydrophobicContact CG-CG2 3.91Å; E316-T374 WeakPolarHBondContact OE1-CG2 3.42Å; E316-T374 PolarHBondContact OE1-OG1 3.43Å; T374-Y377 PolarHBondContact N-OH 3.39Å
375	P	98	Very high	95.2	Very high	45 Å²	45	41.9 Å²	41.9	29%	0.292	22%	0.222	S	C	.	.			trans	-66.9	154.5	175.1	30.8	-36.1	0	0	0	112.5	Y372 H373 Y377	Y372-P375 HydrophobicContact CD1-CG 4.35Å; Y372-P375 HydrophobicContact CE1-CB 3.8Å; Y372-P375 HydrophobicContact CE1-CG 3.84Å; Y372-P375 HydrophobicContact CE2-CB 3.94Å; Y372-P375 VanDerWaalsContact CZ-CB 3.47Å; Y372-P375 WeakPolarHBondContact OH-CB 3.18Å; H373-P375 VanDerWaalsContact C-CD 3.47Å; P375-Y377 HydrophobicContact CB-CD2 4.05Å; P375-Y377 HydrophobicContact CB-CE2 4.09Å
376	P	98.4	Very high	96.5	Very high	84 Å²	84	46.8 Å²	46.8	55%	0.545	24%	0.239	S	C	.	.			cis	-77.2	148.7	4.2	32.2	-36.7	0	0	0	113.6	H312 K342	H312-P376 PolarHBondContact CE1-O 2.75Å; H312-P376 VanDerWaalsContact CE1-O 3.31Å; K342-P376 HydrophobicContact CB-CB 4.34Å
377	Y	98.6	Very high	97.4	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.012	23%	0.233	C	C	.	.			trans	-105.3	-9.2	174.8	-71.2	-93.6	0	0	0	113.5	H312 E316 V320 L327 F341 N371 Y372 H373 T374 P375	H312-Y377 AromaticContact CD2-CD1 3.85Å; H312-Y377 AromaticContact CE1-CD1 3.18Å; H312-Y377 WeakPolarHBondContact CE1-CD1 3.33Å; H312-Y377 AromaticContact CE1-CE1 3.39Å; H312-Y377 WeakPolarHBondContact CE1-CE1 3.18Å; H312-Y377 AromaticContact CE1-CG 3.63Å; H312-Y377 AromaticContact CG-CE1 3.94Å; H312-Y377 AromaticContact ND1-CD1 3.79Å; H312-Y377 AromaticContact ND1-CE1 3.5Å; H312-Y377 AromaticContact NE2-CD1 3.18Å; H312-Y377 WeakPolarHBondContact NE2-CD1 3.4Å; H312-Y377 AromaticContact NE2-CE1 3.72Å; H312-Y377 AromaticContact NE2-CG 3.8Å; E316-Y377 PolarHBondContact OE2-OH 2.87Å; V320-Y377 HydrophobicContact CG1-CD1 4.39Å; V320-Y377 HydrophobicContact CG1-CE1 4.13Å; L327-Y377 HydrophobicContact CD1-CD1 4.25Å; L327-Y377 HydrophobicContact CD1-CD2 4.05Å; L327-Y377 HydrophobicContact CD1-CE2 4.39Å; L327-Y377 HydrophobicContact CD1-CG 3.97Å; L327-Y377 HydrophobicContact CD2-CD1 3.84Å; L327-Y377 HydrophobicContact CD2-CE1 3.8Å; L327-Y377 HydrophobicContact CD2-CG 4.41Å; L327-Y377 HydrophobicContact CG-CD1 4.25Å; L327-Y377 HydrophobicContact CG-CG 4.39Å; F341-Y377 PolarHBondContact O-N 2.79Å; N371-Y377 PolarHBondContact O-OH 2.81Å; Y372-Y377 AromaticContact CD2-CD2 3.51Å; Y372-Y377 HydrophobicContact CD2-CD2 3.51Å; Y372-Y377 AromaticContact CD2-CE2 3.42Å; Y372-Y377 HydrophobicContact CD2-CE2 3.42Å; Y372-Y377 VanDerWaalsContact CD2-CE2 3.42Å; Y372-Y377 AromaticContact CE2-CD2 3.42Å; Y372-Y377 HydrophobicContact CE2-CD2 3.42Å; Y372-Y377 VanDerWaalsContact CE2-CD2 3.42Å; Y372-Y377 AromaticContact CE2-CE2 3.77Å; Y372-Y377 HydrophobicContact CE2-CE2 3.77Å; Y372-Y377 HydrophobicContact CG-CE2 4.07Å; H373-Y377 PolarHBondContact N-OH 3.44Å; T374-Y377 PolarHBondContact N-OH 3.39Å; P375-Y377 HydrophobicContact CB-CD2 4.05Å; P375-Y377 HydrophobicContact CB-CE2 4.09Å
378	L	98.8	Very high	97.9	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.052	23%	0.227	C	C	.	.			trans	-134.2	145.1	-172.3	-176.9	67.3	0	0	0	109.6	L326 L330 F333 A335 D338 F341 K342	L326-L378 HydrophobicContact CD2-CB 3.97Å; L326-L378 HydrophobicContact CD2-CD1 3.87Å; L326-L378 HydrophobicContact CD2-CG 4.43Å; L330-L378 HydrophobicContact CD2-CD1 4.07Å; L330-L378 HydrophobicContact CD2-CD2 3.77Å; F333-L378 WeakPolarHBondContact O-CD1 3.14Å; A335-L378 HydrophobicContact CB-CD1 4.5Å; A335-L378 HydrophobicContact CB-CD2 4.33Å; D338-L378 HydrophobicContact CB-CD2 3.32Å; F341-L378 HydrophobicContact CB-CB 3.73Å; F341-L378 HydrophobicContact CB-CD2 3.99Å; F341-L378 HydrophobicContact CD2-CD2 4.39Å; F341-L378 HydrophobicContact CG-CD2 4.41Å; K342-L378 HydrophobicContact CG-CB 4.23Å
379	T	98.8	Very high	98.1	Very high	38 Å²	38	42.5 Å²	42.5	23%	0.233	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-134.2	152.1	178	-174.4	0	0	0	0	110.9	R334 A335 E381	R334-T379 CarbonylContact C-O 3.57Å; R334-T379 WeakPolarHBondContact CA-O 3.25Å; R334-T379 VanDerWaalsContact CB-O 3.27Å; R334-T379 WeakPolarHBondContact CB-O 3.05Å; R334-T379 HydrophobicContact CG-CG2 3.98Å; A335-T379 PolarHBondContact N-O 3.16Å; A335-T379 CarbonylContact O-C 3.42Å; T379-E381 HydrophobicContact CG2-CB 4.2Å; T379-E381 VanDerWaalsContact OG1-CB 3.27Å; T379-E381 WeakPolarHBondContact OG1-CB 3.22Å; T379-E381 PolarHBondContact OG1-N 2.82Å
380	A	98.8	Very high	98.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.008	23%	0.227	C	C	.	.			trans	-93.5	2.2	166.6	0	0	0	0	0	112.7	D227 F336 P382	D227-A380 HydrophobicContact CB-CB 3.52Å; D227-A380 VanDerWaalsContact CG-CB 3.49Å; F336-A380 HydrophobicContact CB-CB 4.5Å; F336-A380 HydrophobicContact CD1-CB 3.84Å; F336-A380 HydrophobicContact CD2-CB 4Å; F336-A380 HydrophobicContact CE1-CB 4.03Å; F336-A380 HydrophobicContact CE2-CB 4.17Å; F336-A380 HydrophobicContact CG-CB 3.84Å; F336-A380 HydrophobicContact CZ-CB 4.2Å; A380-P382 WeakPolarHBondContact O-CD 3.22Å
381	E	98.8	Very high	98.2	Very high	63 Å²	63	45.5 Å²	45.5	29%	0.294	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-64.7	116.2	-178.3	-179.8	158	-179	0	0	111.8	L220 K224 R334 T379	L220-E381 HydrophobicContact CD1-CG 3.73Å; L220-E381 HydrophobicContact CG-CG 4.48Å; K224-E381 HydrophobicContact CD-CB 4.2Å; K224-E381 HydrophobicContact CD-CG 3.87Å; K224-E381 WeakPolarHBondContact CD-OE2 3.16Å; K224-E381 WeakPolarHBondContact CE-OE2 3.25Å; K224-E381 HydrophobicContact CG-CB 4Å; K224-E381 HydrophobicContact CG-CG 4.19Å; K224-E381 IonicContact NZ-OE1 3.51Å; K224-E381 PolarHBondContact NZ-OE1 2.72Å; K224-E381 VanDerWaalsContact NZ-OE1 3.07Å; K224-E381 IonicContact NZ-OE2 3.18Å; K224-E381 PolarHBondContact NZ-OE2 2.64Å; R334-E381 WeakPolarHBondContact CD-O 3.45Å; R334-E381 PolarHBondContact NH1-O 3.08Å; T379-E381 HydrophobicContact CG2-CB 4.2Å; T379-E381 VanDerWaalsContact OG1-CB 3.27Å; T379-E381 WeakPolarHBondContact OG1-CB 3.22Å; T379-E381 PolarHBondContact OG1-N 2.82Å
382	P	98.8	Very high	98.2	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.032	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-77.7	150.6	-172.3	31	-37	0	0	0	112.7	L220 F223 A270 N271 A272 A380 I384	L220-P382 HydrophobicContact CD1-CG 4.29Å; F223-P382 HydrophobicContact CB-CG 3.93Å; F223-P382 HydrophobicContact CD1-CB 3.73Å; F223-P382 HydrophobicContact CD1-CG 3.64Å; F223-P382 HydrophobicContact CD2-CG 4.09Å; F223-P382 HydrophobicContact CE1-CB 3.76Å; F223-P382 HydrophobicContact CE1-CG 4.08Å; F223-P382 HydrophobicContact CE2-CG 4.47Å; F223-P382 HydrophobicContact CG-CB 4.25Å; F223-P382 HydrophobicContact CG-CG 3.65Å; F223-P382 HydrophobicContact CZ-CB 4.3Å; F223-P382 HydrophobicContact CZ-CG 4.47Å; A270-P382 HydrophobicContact CB-CB 4.09Å; A270-P382 HydrophobicContact CB-CG 4.34Å; N271-P382 CarbonylContact O-C 3.51Å; N271-P382 WeakPolarHBondContact O-CA 3.32Å; N271-P382 WeakPolarHBondContact O-CB 3.41Å; A272-P382 HydrophobicContact CB-CB 4.47Å; A380-P382 WeakPolarHBondContact O-CD 3.22Å; P382-I384 HydrophobicContact CB-CD1 3.98Å; P382-I384 HydrophobicContact CG-CD1 3.59Å; P382-I384 HydrophobicContact CG-CG1 4.45Å
383	E	98.7	Very high	98.2	Very high	59 Å²	59	46.2 Å²	46.2	28%	0.276	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.6	152.7	-176	177	-141.7	0	0	108.6	A270 N271 N295	A270-E383 WeakPolarHBondContact CA-O 3.26Å; N271-E383 PolarHBondContact N-O 2.85Å; N271-E383 PolarHBondContact O-N 3.08Å; N295-E383 WeakPolarHBondContact CB-OE2 3.41Å; N295-E383 PolarHBondContact N-OE2 3.12Å; N295-E383 VanDerWaalsContact ND2-CD 3.28Å; N295-E383 PolarHBondContact ND2-OE1 3.42Å; N295-E383 PolarHBondContact ND2-OE2 3.49Å
384	I	98.7	Very high	98.3	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.062	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.8	174.7	-47.3	-63.7	0	0	0	110.4	R216 L219 L220 Y268 I269 A270 P382	R216-I384 HydrophobicContact CB-CG2 4.28Å; R216-I384 HydrophobicContact CG-CB 3.92Å; R216-I384 HydrophobicContact CG-CG1 4.15Å; R216-I384 HydrophobicContact CG-CG2 3.79Å; L219-I384 HydrophobicContact CB-CD1 3.72Å; L219-I384 HydrophobicContact CD1-CG2 4.4Å; L220-I384 HydrophobicContact CD1-CG1 4.43Å; Y268-I384 HydrophobicContact CD1-CG2 4.17Å; I269-I384 CarbonylContact O-C 3.52Å; I269-I384 WeakPolarHBondContact O-CA 3.35Å; A270-I384 HydrophobicContact CB-CD1 3.39Å; P382-I384 HydrophobicContact CB-CD1 3.98Å; P382-I384 HydrophobicContact CG-CD1 3.59Å; P382-I384 HydrophobicContact CG-CG1 4.45Å
385	T	98.8	Very high	98.3	Very high	39 Å²	39	41.1 Å²	41.1	24%	0.239	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.1	168.4	-56.4	0	0	0	0	109.9	Y268 I269 L293	Y268-T385 CarbonylContact C-O 3.58Å; Y268-T385 WeakPolarHBondContact CA-O 3.42Å; I269-T385 PolarHBondContact N-O 3.06Å; I269-T385 PolarHBondContact O-N 2.9Å; L293-T385 WeakPolarHBondContact O-CB 2.96Å; L293-T385 WeakPolarHBondContact O-CG2 3.4Å; L293-T385 PolarHBondContact O-OG1 3.39Å
386	Y	98.7	Very high	98.3	Very high	114 Å²	114	39 Å²	39	45%	0.447	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.4	171.8	163.2	-107.8	0	0	0	110.6	D266 Y268	D266-Y386 HydrophobicContact CB-CE2 4.23Å; D266-Y386 WeakPolarHBondContact OD1-CE2 3.46Å; D266-Y386 PolarHBondContact OD1-OH 2.81Å; D266-Y386 VanDerWaalsContact OD1-OH 3.07Å; Y268-Y386 HydrophobicContact CD1-CD2 4.11Å; Y268-Y386 HydrophobicContact CD1-CG 4.49Å; Y268-Y386 HydrophobicContact CD2-CD2 4.23Å; Y268-Y386 AromaticContact CE1-CD2 3.69Å; Y268-Y386 HydrophobicContact CE1-CD2 3.69Å; Y268-Y386 HydrophobicContact CE1-CG 4.08Å; Y268-Y386 AromaticContact CE2-CD2 3.84Å; Y268-Y386 HydrophobicContact CE2-CD2 3.84Å; Y268-Y386 HydrophobicContact CE2-CE2 4.18Å; Y268-Y386 HydrophobicContact CG-CD2 4.36Å; Y268-Y386 AromaticContact CZ-CD2 3.54Å
387	H	98.5	Very high	98.4	Very high	34 Å²	34	35 Å²	35	16%	0.157	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	124.4	176.3	178.6	85.7	0	0	0	110.4	L267 L293 L389 D393	L267-H387 WeakPolarHBondContact CB-O 3.29Å; L267-H387 PolarHBondContact N-O 3.2Å; L267-H387 PolarHBondContact O-N 2.89Å; L293-H387 HydrophobicContact CD1-CB 4.48Å; L293-H387 HydrophobicContact CD2-CB 4.32Å; H387-L389 PolarHBondContact O-N 3.44Å; H387-D393 IonicContact CD2-OD2 3.38Å; H387-D393 IonicContact CE1-OD2 3.83Å; H387-D393 IonicContact NE2-OD2 2.82Å; H387-D393 PolarHBondContact NE2-OD2 2.93Å
388	R	97.9	Very high	98.4	Very high	89 Å²	89	34.8 Å²	34.8	34%	0.336	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	114.3	169	-168.9	73.4	165.7	-160.1	2	108.6	D266 R390 D520	D266-R388 WeakPolarHBondContact OD1-CD 3.33Å; D266-R388 IonicContact OD1-CZ 3.28Å; D266-R388 IonicContact OD1-NE 3.08Å; D266-R388 IonicContact OD1-NH1 2.68Å; D266-R388 PolarHBondContact OD1-NH1 2.55Å; D266-R388 IonicContact OD2-CZ 3.97Å; D266-R388 IonicContact OD2-NH1 3.97Å; D266-R388 PolarHBondContact OD2-NH1 2.93Å; R388-R390 WeakPolarHBondContact O-CG 3.33Å; R388-D520 IonicContact CZ-OD2 3.07Å; R388-D520 VanDerWaalsContact NH2-CG 3.27Å; R388-D520 IonicContact NH2-OD1 3.73Å; R388-D520 PolarHBondContact NH2-OD1 2.86Å; R388-D520 IonicContact NH2-OD2 3.01Å; R388-D520 PolarHBondContact NH2-OD2 2.99Å
389	L	98.3	Very high	98.4	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	16%	0.157	C	C	.	.			trans	-60.1	146.6	179.8	-68.9	168.6	0	0	0	112	I262 P265 L267 L279 H387 D393 F508 I513	I262-L389 HydrophobicContact CG2-CD1 4.43Å; P265-L389 WeakPolarHBondContact O-CB 3.23Å; P265-L389 PolarHBondContact O-N 3.09Å; L267-L389 HydrophobicContact CB-CD1 4.35Å; L267-L389 HydrophobicContact CB-CD2 4.32Å; L267-L389 HydrophobicContact CB-CG 4.09Å; L267-L389 HydrophobicContact CD2-CD2 4.11Å; L279-L389 HydrophobicContact CD1-CD2 4.32Å; H387-L389 PolarHBondContact O-N 3.44Å; L389-D393 HydrophobicContact CD2-CB 4.15Å; L389-F508 HydrophobicContact CD1-CD1 3.86Å; L389-F508 HydrophobicContact CD1-CE1 3.69Å; L389-F508 HydrophobicContact CD1-CG 4.46Å; L389-F508 HydrophobicContact CD1-CZ 4.16Å; L389-F508 HydrophobicContact CD2-CD1 4.43Å; L389-F508 HydrophobicContact CD2-CD2 4.02Å; L389-F508 HydrophobicContact CD2-CE1 4.17Å; L389-F508 HydrophobicContact CD2-CE2 3.74Å; L389-F508 HydrophobicContact CD2-CG 4.37Å; L389-F508 HydrophobicContact CD2-CZ 3.83Å; L389-I513 HydrophobicContact CB-CD1 4.04Å; L389-I513 HydrophobicContact CB-CG1 4.35Å; L389-I513 HydrophobicContact CB-CG2 4.07Å; L389-I513 HydrophobicContact CD1-CD1 4.2Å; L389-I513 WeakPolarHBondContact O-CG2 3.09Å
390	R	97.4	Very high	98.4	Very high	65 Å²	65	32.5 Å²	32.5	25%	0.245	15%	0.146	C	C	.	.			trans	-131.2	159.4	-176.4	-44.9	166.6	-65.9	172.2	4.6	110	R388 Q392 D393	R388-R390 WeakPolarHBondContact O-CG 3.33Å; R390-Q392 HydrophobicContact CB-CG 4.23Å; R390-Q392 PolarHBondContact O-N 3.5Å; R390-Q392 VanDerWaalsContact O-N 3.1Å; R390-D393 WeakPolarHBondContact CB-OD2 3.45Å; R390-D393 WeakPolarHBondContact CG-OD2 3Å; R390-D393 IonicContact CZ-OD1 2.75Å; R390-D393 VanDerWaalsContact CZ-OD1 3.28Å; R390-D393 IonicContact CZ-OD2 3.19Å; R390-D393 PolarHBondContact N-OD2 2.91Å; R390-D393 IonicContact NE-OD1 3.26Å; R390-D393 PolarHBondContact NE-OD1 2.97Å; R390-D393 IonicContact NE-OD2 2.68Å; R390-D393 PolarHBondContact NE-OD2 3.08Å; R390-D393 VanDerWaalsContact NE-OD2 3.08Å; R390-D393 IonicContact NH2-OD1 3.73Å; R390-D393 PolarHBondContact NH2-OD1 3.37Å; R390-D393 IonicContact NH2-OD2 2.73Å; R390-D393 WeakPolarHBondContact O-CB 3.1Å; R390-D393 PolarHBondContact O-N 2.57Å
391	P	96.4	Very high	98.3	Very high	50 Å²	50	34 Å²	34	33%	0.325	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22	-179	-26.6	36.8	0	0	0	115.8	P510	P391-P510 HydrophobicContact CB-CB 4.43Å
392	Q	96.9	Very high	98.2	Very high	78 Å²	78	31 Å²	31	36%	0.364	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.8	171	59.7	-101.2	71.7	0	0	114.2	V281 Q282 R390 R394	V281-Q392 WeakPolarHBondContact CA-O 3.46Å; V281-Q392 HydrophobicContact CG1-CB 3.95Å; V281-Q392 HydrophobicContact CG1-CG 3.66Å; Q282-Q392 PolarHBondContact N-O 2.84Å; Q282-Q392 WeakPolarHBondContact O-CB 3.36Å; R390-Q392 HydrophobicContact CB-CG 4.23Å; R390-Q392 PolarHBondContact O-N 3.5Å; R390-Q392 VanDerWaalsContact O-N 3.1Å; Q392-R394 WeakPolarHBondContact O-CD 3.27Å; Q392-R394 WeakPolarHBondContact O-CG 3.3Å; Q392-R394 PolarHBondContact O-N 2.96Å
393	D	98.3	Very high	98.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	102.9	-177.1	-55.4	-25.1	0	0	0	108.3	L279 V281 H387 L389 R390	L279-D393 HydrophobicContact CD1-CB 4.32Å; L279-D393 HydrophobicContact CD2-CB 4.11Å; L279-D393 HydrophobicContact CG-CB 4.44Å; V281-D393 WeakPolarHBondContact CG2-OD1 3.28Å; H387-D393 IonicContact CD2-OD2 3.38Å; H387-D393 IonicContact CE1-OD2 3.83Å; H387-D393 IonicContact NE2-OD2 2.82Å; H387-D393 PolarHBondContact NE2-OD2 2.93Å; L389-D393 HydrophobicContact CD2-CB 4.15Å; R390-D393 WeakPolarHBondContact CB-OD2 3.45Å; R390-D393 WeakPolarHBondContact CG-OD2 3Å; R390-D393 IonicContact CZ-OD1 2.75Å; R390-D393 VanDerWaalsContact CZ-OD1 3.28Å; R390-D393 IonicContact CZ-OD2 3.19Å; R390-D393 PolarHBondContact N-OD2 2.91Å; R390-D393 IonicContact NE-OD1 3.26Å; R390-D393 PolarHBondContact NE-OD1 2.97Å; R390-D393 IonicContact NE-OD2 2.68Å; R390-D393 PolarHBondContact NE-OD2 3.08Å; R390-D393 VanDerWaalsContact NE-OD2 3.08Å; R390-D393 IonicContact NH2-OD1 3.73Å; R390-D393 PolarHBondContact NH2-OD1 3.37Å; R390-D393 IonicContact NH2-OD2 2.73Å; R390-D393 WeakPolarHBondContact O-CB 3.1Å; R390-D393 PolarHBondContact O-N 2.57Å
394	R	97.8	Very high	98.1	Very high	69 Å²	69	29 Å²	29	26%	0.26	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-36.1	-164.1	-59.9	-46.8	-55.1	-150.7	-5.5	114	G280 Q282 F288 Q392 F508	G280-R394 PolarHBondContact O-N 3Å; Q282-R394 HydrophobicContact CB-CG 3.53Å; F288-R394 HydrophobicContact CE1-CB 4.13Å; F288-R394 HydrophobicContact CE1-CG 3.85Å; Q392-R394 WeakPolarHBondContact O-CD 3.27Å; Q392-R394 WeakPolarHBondContact O-CG 3.3Å; Q392-R394 PolarHBondContact O-N 2.96Å; R394-F508 PolarHBondContact O-N 3.45Å
395	F	98.8	Very high	97.9	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	162.3	-178.9	57.2	-88.2	0	0	0	111.5	G280 F288 V397 I413 V416 L420 V505 T506	G280-F395 PolarHBondContact N-O 3.43Å; G280-F395 PolarHBondContact O-N 2.79Å; F288-F395 AromaticContact CD1-CE1 3.93Å; F288-F395 HydrophobicContact CD1-CE1 3.93Å; F288-F395 HydrophobicContact CD1-CZ 4.39Å; F288-F395 AromaticContact CE1-CE1 3.72Å; F288-F395 HydrophobicContact CE1-CE1 3.72Å; F395-V397 HydrophobicContact CD2-CG2 3.8Å; F395-V397 HydrophobicContact CE2-CG2 3.8Å; F395-I413 HydrophobicContact CD2-CD1 4.43Å; F395-I413 HydrophobicContact CE2-CD1 3.59Å; F395-I413 HydrophobicContact CE2-CG2 4.44Å; F395-I413 HydrophobicContact CZ-CD1 4.26Å; F395-I413 HydrophobicContact CZ-CG2 4.02Å; F395-I413 WeakPolarHBondContact CZ-O 3.43Å; F395-V416 HydrophobicContact CD1-CG1 4.3Å; F395-V416 HydrophobicContact CD2-CB 4.35Å; F395-V416 HydrophobicContact CD2-CG1 3.59Å; F395-V416 HydrophobicContact CE1-CG1 4.13Å; F395-V416 HydrophobicContact CE2-CB 3.63Å; F395-V416 HydrophobicContact CE2-CG1 3.36Å; F395-V416 HydrophobicContact CG-CG1 4.06Å; F395-V416 HydrophobicContact CZ-CB 3.79Å; F395-V416 HydrophobicContact CZ-CG1 3.67Å; F395-L420 HydrophobicContact CB-CD1 4.04Å; F395-L420 HydrophobicContact CD1-CD1 3.59Å; F395-L420 HydrophobicContact CE1-CD1 4.24Å; F395-L420 HydrophobicContact CG-CD1 3.87Å; F395-V505 HydrophobicContact CB-CG1 4.46Å; F395-V505 HydrophobicContact CD2-CG1 4.34Å; F395-T506 CarbonylContact C-O 3.59Å; F395-T506 WeakPolarHBondContact CA-O 3.49Å; F395-T506 WeakPolarHBondContact CB-O 3.36Å
396	L	98.9	Very high	97.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.7	171.3	-178.6	70.1	0	0	0	109.2	A260 L267 I269 A277 L279 L293 I398 V505 T506 F508	A260-L396 HydrophobicContact CB-CD2 3.76Å; L267-L396 HydrophobicContact CD1-CD2 4.06Å; L267-L396 HydrophobicContact CD2-CD1 4.4Å; L267-L396 HydrophobicContact CD2-CD2 4.38Å; I269-L396 HydrophobicContact CD1-CD1 4.46Å; I269-L396 HydrophobicContact CD1-CD2 3.88Å; A277-L396 HydrophobicContact CB-CD1 4.32Å; L279-L396 HydrophobicContact CB-CD1 4.38Å; L279-L396 HydrophobicContact CD1-CD1 4.31Å; L293-L396 HydrophobicContact CD1-CD1 3.96Å; L396-I398 HydrophobicContact CD2-CD1 4.16Å; L396-I398 HydrophobicContact CD2-CG1 4.08Å; L396-I398 HydrophobicContact CG-CG1 4.21Å; L396-V505 CarbonylContact O-C 3.59Å; L396-V505 WeakPolarHBondContact O-CA 3.43Å; L396-T506 PolarHBondContact N-O 3.44Å; L396-T506 PolarHBondContact O-N 2.96Å; L396-F508 HydrophobicContact CB-CE2 3.82Å; L396-F508 HydrophobicContact CB-CZ 3.86Å
397	V	98.9	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.6	169.4	-173.6	0	0	0	0	108.9	A277 V278 F395 L403 W404 V412 I413 V416 L465 I503 I504 V505	A277-V397 CarbonylContact C-O 3.53Å; A277-V397 WeakPolarHBondContact CA-O 3.17Å; V278-V397 PolarHBondContact N-O 2.83Å; V278-V397 PolarHBondContact O-N 3.01Å; F395-V397 HydrophobicContact CD2-CG2 3.8Å; F395-V397 HydrophobicContact CE2-CG2 3.8Å; V397-L403 HydrophobicContact CG1-CD2 4.16Å; V397-W404 HydrophobicContact CB-CH2 4.35Å; V397-W404 HydrophobicContact CG1-CH2 4.1Å; V397-W404 HydrophobicContact CG1-CZ2 4.23Å; V397-V412 HydrophobicContact CB-CG1 4.5Å; V397-V412 HydrophobicContact CG1-CG1 4.11Å; V397-V412 HydrophobicContact CG2-CG1 4.37Å; V397-I413 HydrophobicContact CB-CD1 4.43Å; V397-I413 HydrophobicContact CG2-CD1 3.82Å; V397-V416 HydrophobicContact CG2-CG2 4.39Å; V397-L465 HydrophobicContact CG1-CD2 4.09Å; V397-I503 HydrophobicContact CG1-CG2 4.29Å; V397-I504 CarbonylContact C-O 3.48Å; V397-I504 WeakPolarHBondContact CA-O 3.44Å; V397-V505 HydrophobicContact CG2-CG2 4.33Å
398	I	98.9	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.2	168.6	-46	176.4	0	0	0	107.5	L124 V126 C258 A260 R276 A277 L396 I503 I504	L124-I398 HydrophobicContact CB-CD1 4.49Å; V126-I398 HydrophobicContact CB-CG2 4.05Å; V126-I398 HydrophobicContact CG2-CB 4.18Å; V126-I398 HydrophobicContact CG2-CG2 3.76Å; C258-I398 HydrophobicContact CB-CG2 4.04Å; A260-I398 HydrophobicContact CB-CD1 3.77Å; R276-I398 WeakPolarHBondContact O-CA 3.49Å; A277-I398 HydrophobicContact CB-CG1 4.31Å; L396-I398 HydrophobicContact CD2-CD1 4.16Å; L396-I398 HydrophobicContact CD2-CG1 4.08Å; L396-I398 HydrophobicContact CG-CG1 4.21Å; I398-I503 WeakPolarHBondContact O-CA 3.35Å; I398-I504 PolarHBondContact N-O 3.28Å; I398-I504 PolarHBondContact O-N 2.97Å
399	G	98.7	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	161.5	173.3	0	0	0	0	0	114.3	R276 W404 T502	R276-G399 PolarHBondContact N-O 3.45Å; R276-G399 PolarHBondContact O-N 2.89Å; R276-G399 VanDerWaalsContact O-N 3.11Å; G399-W404 PolarHBondContact O-NE1 2.95Å; G399-T502 WeakPolarHBondContact CA-O 3.38Å
400	S	98.6	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.182	C	C	.	.			trans	-67.2	167.8	170.3	28.8	0	0	0	0	112	D109 D128 G402 L403 T502	D109-S400 WeakPolarHBondContact OD2-CB 3.4Å; D109-S400 PolarHBondContact OD2-OG 3.11Å; D128-S400 WeakPolarHBondContact OD2-CB 3.49Å; S400-G402 PolarHBondContact O-N 3.41Å; S400-L403 PolarHBondContact O-N 3.21Å; S400-L403 VanDerWaalsContact O-N 3.16Å; S400-T502 PolarHBondContact N-O 3.14Å; S400-T502 WeakPolarHBondContact OG-CB 3.47Å; S400-T502 PolarHBondContact OG-N 2.8Å; S400-T502 PolarHBondContact OG-O 3.48Å
401	D	96.7	Very high	97.1	Very high	31 Å²	31	38.4 Å²	38.4	17%	0.166	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-30.3	-175.6	75.2	-4.2	0	0	0	112.6	D128 L403 W404 E405	D128-D401 PolarHBondContact OD2-N 2.81Å; D401-L403 CarbonylContact O-C 3.58Å; D401-L403 PolarHBondContact O-N 2.84Å; D401-W404 CarbonylContact O-C 3.52Å; D401-W404 WeakPolarHBondContact O-CA 3.36Å; D401-W404 PolarHBondContact O-N 2.83Å; D401-E405 PolarHBondContact O-N 3.28Å
402	G	97.4	Very high	97.1	Very high	2 Å²	2	36 Å²	36	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-21.1	174.3	0	0	0	0	0	115.5	S400 T406	S400-G402 PolarHBondContact O-N 3.41Å; G402-T406 WeakPolarHBondContact O-CG2 3.48Å; G402-T406 PolarHBondContact O-OG1 3.04Å
403	L	98	Very high	97.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-78.3	-48.7	164.3	171.3	61.7	0	0	0	111.3	V397 S400 D401 T406 L407 V412 L465 A469 I501 I503	V397-L403 HydrophobicContact CG1-CD2 4.16Å; S400-L403 PolarHBondContact O-N 3.21Å; S400-L403 VanDerWaalsContact O-N 3.16Å; D401-L403 CarbonylContact O-C 3.58Å; D401-L403 PolarHBondContact O-N 2.84Å; L403-T406 PolarHBondContact O-N 3.23Å; L403-T406 PolarHBondContact O-OG1 3.48Å; L403-L407 HydrophobicContact CD1-CD1 4.25Å; L403-L407 PolarHBondContact O-N 3.42Å; L403-L407 VanDerWaalsContact O-N 3.12Å; L403-V412 HydrophobicContact CD1-CG2 4.23Å; L403-L465 HydrophobicContact CD1-CD1 4.31Å; L403-L465 HydrophobicContact CD1-CD2 3.99Å; L403-L465 HydrophobicContact CD1-CG 3.9Å; L403-L465 HydrophobicContact CD2-CD2 3.95Å; L403-A469 HydrophobicContact CD1-CB 4.36Å; L403-I501 HydrophobicContact CB-CG2 4.37Å; L403-I503 HydrophobicContact CD1-CD1 4.02Å; L403-I503 HydrophobicContact CD2-CD1 4.23Å; L403-I503 HydrophobicContact CD2-CG1 4.16Å
404	W	97.4	Very high	97	Very high	20 Å²	20	36.4 Å²	36.4	8%	0.076	16%	0.163	C	C	.	.	H	α-helix	trans	-79.6	-21.3	-166.9	-61	118.6	0	0	0	114.9	R276 V278 V397 G399 D401 R409 V412	R276-W404 HydrophobicContact CB-CD2 4.38Å; R276-W404 HydrophobicContact CB-CG 4.32Å; R276-W404 HydrophobicContact CB-CZ2 4.44Å; R276-W404 VanDerWaalsContact NH1-CB 3.33Å; R276-W404 VanDerWaalsContact NH1-CD2 3.34Å; R276-W404 VanDerWaalsContact NH1-CG 3.33Å; R276-W404 WeakPolarHBondContact O-CZ2 3.29Å; R276-W404 PolarHBondContact O-NE1 3.02Å; V278-W404 HydrophobicContact CB-CH2 3.85Å; V278-W404 HydrophobicContact CB-CZ3 4.46Å; V278-W404 HydrophobicContact CG2-CH2 3.45Å; V278-W404 VanDerWaalsContact CG2-CH2 3.45Å; V278-W404 HydrophobicContact CG2-CZ2 3.97Å; V278-W404 HydrophobicContact CG2-CZ3 3.84Å; V397-W404 HydrophobicContact CB-CH2 4.35Å; V397-W404 HydrophobicContact CG1-CH2 4.1Å; V397-W404 HydrophobicContact CG1-CZ2 4.23Å; G399-W404 PolarHBondContact O-NE1 2.95Å; D401-W404 CarbonylContact O-C 3.52Å; D401-W404 WeakPolarHBondContact O-CA 3.36Å; D401-W404 PolarHBondContact O-N 2.83Å; W404-R409 HydrophobicContact CZ3-CB 4.24Å; W404-V412 HydrophobicContact CE3-CG2 4.18Å; W404-V412 HydrophobicContact CH2-CG1 3.93Å; W404-V412 HydrophobicContact CZ3-CB 3.95Å; W404-V412 HydrophobicContact CZ3-CG1 3.81Å; W404-V412 HydrophobicContact CZ3-CG2 3.79Å
405	E	94.8	Very high	96.8	Very high	149 Å²	149	33.2 Å²	33.2	70%	0.696	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-30.4	166.9	-68.9	-151.1	133.6	0	0	112	D401	D401-E405 PolarHBondContact O-N 3.28Å
406	T	93.3	Very high	96.6	Very high	58 Å²	58	33.2 Å²	33.2	36%	0.356	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-31.7	-174.7	62.2	0	0	0	0	113.7	G402 L403 A469	G402-T406 WeakPolarHBondContact O-CG2 3.48Å; G402-T406 PolarHBondContact O-OG1 3.04Å; L403-T406 PolarHBondContact O-N 3.23Å; L403-T406 PolarHBondContact O-OG1 3.48Å; T406-A469 WeakPolarHBondContact OG1-CB 3.23Å
407	L	94.6	Very high	96.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	15%	0.151	C	C	.	.	S	Bend	trans	-132.9	130.5	-177.6	-62.9	177.6	0	0	0	112.1	L403 V412 I415 L465 H468 A469 N472	L403-L407 HydrophobicContact CD1-CD1 4.25Å; L403-L407 PolarHBondContact O-N 3.42Å; L403-L407 VanDerWaalsContact O-N 3.12Å; L407-V412 HydrophobicContact CB-CG2 3.51Å; L407-V412 HydrophobicContact CD1-CG2 4.17Å; L407-I415 HydrophobicContact CD1-CD1 4.23Å; L407-L465 HydrophobicContact CD1-CD1 3.72Å; L407-H468 HydrophobicContact CD1-CB 4.17Å; L407-A469 HydrophobicContact CD1-CB 4.1Å; L407-A469 HydrophobicContact CG-CB 4.39Å; L407-N472 HydrophobicContact CD2-CB 4.45Å; L407-N472 VanDerWaalsContact CD2-ND2 3.31Å; L407-N472 WeakPolarHBondContact CD2-ND2 3.22Å
408	H	95.7	Very high	95.9	Very high	116 Å²	116	34.6 Å²	34.6	54%	0.537	16%	0.158	S	C	.	.			trans	-64.4	139.8	172.7	174.8	-114.9	0	0	0	110.9	Q410 E411 V412	H408-Q410 PolarHBondContact ND1-N 2.69Å; H408-Q410 PolarHBondContact O-N 3.45Å; H408-E411 WeakPolarHBondContact O-CA 3.36Å; H408-E411 WeakPolarHBondContact O-CB 3.26Å; H408-E411 PolarHBondContact O-N 3.03Å; H408-V412 PolarHBondContact O-N 2.9Å; H408-V412 VanDerWaalsContact O-N 3.09Å
409	R	97.2	Very high	95.4	Very high	112 Å²	112	37.3 Å²	37.3	42%	0.423	17%	0.168	S	C	.	.	H	α-helix	trans	-46.6	-37.8	-176.9	59.3	177.8	170.5	-169.5	-5.1	115.2	V278 A290 T292 W404 I413	V278-R409 HydrophobicContact CG1-CB 4.4Å; V278-R409 HydrophobicContact CG2-CB 4.35Å; A290-R409 HydrophobicContact CB-CB 4.39Å; A290-R409 HydrophobicContact CB-CG 4.33Å; T292-R409 VanDerWaalsContact OG1-CD 3.31Å; T292-R409 WeakPolarHBondContact OG1-CD 3.24Å; T292-R409 PolarHBondContact OG1-NH1 2.99Å; W404-R409 HydrophobicContact CZ3-CB 4.24Å; R409-I413 WeakPolarHBondContact O-CG1 3.47Å; R409-I413 PolarHBondContact O-N 3.44Å; R409-I413 VanDerWaalsContact O-N 3.08Å
410	Q	97.3	Very high	94.9	Very high	71 Å²	71	39.5 Å²	39.5	33%	0.332	18%	0.18	S	C	.	.	H	α-helix	trans	-75.1	-25.4	179.9	-172.3	54.9	77.8	0	0	113.1	F288 A290 H408 R414	F288-Q410 PolarHBondContact O-NE2 2.68Å; A290-Q410 HydrophobicContact CB-CB 4.32Å; H408-Q410 PolarHBondContact ND1-N 2.69Å; H408-Q410 PolarHBondContact O-N 3.45Å; Q410-R414 WeakPolarHBondContact O-CB 3.39Å; Q410-R414 PolarHBondContact O-N 3.36Å
411	E	94.9	Very high	94.2	Very high	47 Å²	47	42 Å²	42	22%	0.22	20%	0.195	C	C	.	.	H	α-helix	trans	-76.7	-44	171.8	-169.5	179.1	179.3	0	0	110.8	H408 I413 R414 I415 N472	H408-E411 WeakPolarHBondContact O-CA 3.36Å; H408-E411 WeakPolarHBondContact O-CB 3.26Å; H408-E411 PolarHBondContact O-N 3.03Å; E411-I413 PolarHBondContact O-N 3.36Å; E411-R414 PolarHBondContact O-N 2.76Å; E411-I415 HydrophobicContact CG-CD1 3.85Å; E411-I415 HydrophobicContact CG-CG1 4.42Å; E411-I415 VanDerWaalsContact O-CG1 3.31Å; E411-I415 WeakPolarHBondContact O-CG1 3.41Å; E411-I415 PolarHBondContact O-N 2.82Å; E411-N472 PolarHBondContact OE1-ND2 3.17Å
412	V	97.2	Very high	93.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-51.3	-55.5	173.3	169.6	0	0	0	0	111.3	V397 L403 W404 L407 H408 R414 I415 V416 L465	V397-V412 HydrophobicContact CB-CG1 4.5Å; V397-V412 HydrophobicContact CG1-CG1 4.11Å; V397-V412 HydrophobicContact CG2-CG1 4.37Å; L403-V412 HydrophobicContact CD1-CG2 4.23Å; W404-V412 HydrophobicContact CE3-CG2 4.18Å; W404-V412 HydrophobicContact CH2-CG1 3.93Å; W404-V412 HydrophobicContact CZ3-CB 3.95Å; W404-V412 HydrophobicContact CZ3-CG1 3.81Å; W404-V412 HydrophobicContact CZ3-CG2 3.79Å; L407-V412 HydrophobicContact CB-CG2 3.51Å; L407-V412 HydrophobicContact CD1-CG2 4.17Å; H408-V412 PolarHBondContact O-N 2.9Å; H408-V412 VanDerWaalsContact O-N 3.09Å; V412-R414 VanDerWaalsContact C-N 3.33Å; V412-R414 PolarHBondContact O-N 3.14Å; V412-I415 PolarHBondContact O-N 3.12Å; V412-V416 WeakPolarHBondContact O-CG2 3.39Å; V412-V416 PolarHBondContact O-N 3Å; V412-V416 VanDerWaalsContact O-N 3.14Å; V412-L465 HydrophobicContact CB-CD1 4.24Å; V412-L465 HydrophobicContact CG1-CD1 3.99Å; V412-L465 HydrophobicContact CG1-CD2 3.65Å; V412-L465 HydrophobicContact CG1-CG 4.47Å; V412-L465 HydrophobicContact CG2-CD1 4.21Å
413	I	98	Very high	91.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-37	-179.9	-66.9	-55.3	0	0	0	111.6	V278 F288 A290 F395 V397 R409 E411 G417	V278-I413 HydrophobicContact CB-CD1 4.28Å; V278-I413 HydrophobicContact CG1-CD1 3.91Å; V278-I413 HydrophobicContact CG1-CG1 3.71Å; F288-I413 HydrophobicContact CB-CG2 4.08Å; A290-I413 HydrophobicContact CB-CB 3.98Å; A290-I413 HydrophobicContact CB-CG1 3.66Å; A290-I413 HydrophobicContact CB-CG2 4.39Å; F395-I413 HydrophobicContact CD2-CD1 4.43Å; F395-I413 HydrophobicContact CE2-CD1 3.59Å; F395-I413 HydrophobicContact CE2-CG2 4.44Å; F395-I413 HydrophobicContact CZ-CD1 4.26Å; F395-I413 HydrophobicContact CZ-CG2 4.02Å; F395-I413 WeakPolarHBondContact CZ-O 3.43Å; V397-I413 HydrophobicContact CB-CD1 4.43Å; V397-I413 HydrophobicContact CG2-CD1 3.82Å; R409-I413 WeakPolarHBondContact O-CG1 3.47Å; R409-I413 PolarHBondContact O-N 3.44Å; R409-I413 VanDerWaalsContact O-N 3.08Å; E411-I413 PolarHBondContact O-N 3.36Å; I413-G417 PolarHBondContact O-N 3Å
414	R	94.3	Very high	89.1	Confident	87 Å²	87	47.5 Å²	47.5	33%	0.328	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-46.6	175.5	-175.7	-169	66.7	74.4	6.1	112.1	Q410 E411 V412 V416 G417 E418	Q410-R414 WeakPolarHBondContact O-CB 3.39Å; Q410-R414 PolarHBondContact O-N 3.36Å; E411-R414 PolarHBondContact O-N 2.76Å; V412-R414 VanDerWaalsContact C-N 3.33Å; V412-R414 PolarHBondContact O-N 3.14Å; R414-V416 PolarHBondContact O-N 2.91Å; R414-G417 PolarHBondContact O-N 3.02Å; R414-E418 WeakPolarHBondContact CD-OE1 3.49Å; R414-E418 HydrophobicContact CG-CG 4.32Å; R414-E418 WeakPolarHBondContact CG-OE1 3.43Å; R414-E418 IonicContact CZ-OE1 3.88Å; R414-E418 IonicContact CZ-OE2 3.06Å; R414-E418 IonicContact NH1-OE1 2.83Å; R414-E418 PolarHBondContact NH1-OE1 3.39Å; R414-E418 IonicContact NH1-OE2 3.59Å; R414-E418 PolarHBondContact NH1-OE2 3.48Å; R414-E418 WeakPolarHBondContact O-CB 3.22Å; R414-E418 WeakPolarHBondContact O-CG 3.22Å; R414-E418 PolarHBondContact O-N 3.48Å
415	I	92.9	Very high	86.9	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-48.5	179.4	-70.6	160.8	0	0	0	110.6	L407 E411 V412 Y419 H424 L465 H468	L407-I415 HydrophobicContact CD1-CD1 4.23Å; E411-I415 HydrophobicContact CG-CD1 3.85Å; E411-I415 HydrophobicContact CG-CG1 4.42Å; E411-I415 VanDerWaalsContact O-CG1 3.31Å; E411-I415 WeakPolarHBondContact O-CG1 3.41Å; E411-I415 PolarHBondContact O-N 2.82Å; V412-I415 PolarHBondContact O-N 3.12Å; I415-Y419 VanDerWaalsContact O-CB 3.27Å; I415-Y419 WeakPolarHBondContact O-CB 3.48Å; I415-Y419 PolarHBondContact O-N 2.93Å; I415-H424 PolarHBondContact O-NE2 3.48Å; I415-L465 HydrophobicContact CB-CD1 4.41Å; I415-L465 HydrophobicContact CD1-CD1 4.33Å; I415-L465 HydrophobicContact CG2-CD1 4.28Å; I415-H468 HydrophobicContact CD1-CB 3.81Å
416	V	95.5	Very high	84.6	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-39.8	-179.9	176.8	0	0	0	0	111.5	F395 V397 V412 R414 Y419 L420 L465 V505	F395-V416 HydrophobicContact CD1-CG1 4.3Å; F395-V416 HydrophobicContact CD2-CB 4.35Å; F395-V416 HydrophobicContact CD2-CG1 3.59Å; F395-V416 HydrophobicContact CE1-CG1 4.13Å; F395-V416 HydrophobicContact CE2-CB 3.63Å; F395-V416 HydrophobicContact CE2-CG1 3.36Å; F395-V416 HydrophobicContact CG-CG1 4.06Å; F395-V416 HydrophobicContact CZ-CB 3.79Å; F395-V416 HydrophobicContact CZ-CG1 3.67Å; V397-V416 HydrophobicContact CG2-CG2 4.39Å; V412-V416 WeakPolarHBondContact O-CG2 3.39Å; V412-V416 PolarHBondContact O-N 3Å; V412-V416 VanDerWaalsContact O-N 3.14Å; R414-V416 PolarHBondContact O-N 2.91Å; V416-Y419 WeakPolarHBondContact O-CB 3.36Å; V416-Y419 PolarHBondContact O-N 2.73Å; V416-L420 HydrophobicContact CG1-CD1 3.8Å; V416-L420 HydrophobicContact CG1-CG 4.2Å; V416-L420 WeakPolarHBondContact O-CB 3.4Å; V416-L420 WeakPolarHBondContact O-CG 3.49Å; V416-L420 PolarHBondContact O-N 3.01Å; V416-L465 HydrophobicContact CG2-CB 4.34Å; V416-L465 HydrophobicContact CG2-CD1 4.47Å; V416-L465 HydrophobicContact CG2-CD2 4.01Å; V416-V505 HydrophobicContact CG1-CG1 3.66Å; V416-V505 HydrophobicContact CG2-CG2 4.45Å
417	G	93.9	Very high	82.4	Confident	0 Å²	0	57 Å²	57	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-46.5	177	0	0	0	0	0	113.4	I413 R414 Y419 L420 T421	I413-G417 PolarHBondContact O-N 3Å; R414-G417 PolarHBondContact O-N 3.02Å; G417-Y419 VanDerWaalsContact C-N 3.27Å; G417-Y419 PolarHBondContact O-N 2.89Å; G417-L420 PolarHBondContact O-N 3.39Å; G417-T421 WeakPolarHBondContact O-CB 3.42Å; G417-T421 WeakPolarHBondContact O-CG2 3.4Å; G417-T421 PolarHBondContact O-N 3.43Å; G417-T421 VanDerWaalsContact O-N 3.1Å; G417-T421 PolarHBondContact O-OG1 2.88Å
418	E	88.8	Confident	80.3	Confident	29 Å²	29	61.9 Å²	61.9	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-30.3	175.3	-71.5	171.6	-173.4	0	0	112.5	R414 T421 G422 V423 H424	R414-E418 WeakPolarHBondContact CD-OE1 3.49Å; R414-E418 HydrophobicContact CG-CG 4.32Å; R414-E418 WeakPolarHBondContact CG-OE1 3.43Å; R414-E418 IonicContact CZ-OE1 3.88Å; R414-E418 IonicContact CZ-OE2 3.06Å; R414-E418 IonicContact NH1-OE1 2.83Å; R414-E418 PolarHBondContact NH1-OE1 3.39Å; R414-E418 IonicContact NH1-OE2 3.59Å; R414-E418 PolarHBondContact NH1-OE2 3.48Å; R414-E418 WeakPolarHBondContact O-CB 3.22Å; R414-E418 WeakPolarHBondContact O-CG 3.22Å; R414-E418 PolarHBondContact O-N 3.48Å; E418-T421 PolarHBondContact O-OG1 3.14Å; E418-G422 CarbonylContact O-C 3.57Å; E418-G422 PolarHBondContact O-N 2.92Å; E418-V423 HydrophobicContact CG-CG1 4.47Å; E418-V423 PolarHBondContact O-N 3.05Å; E418-H424 WeakPolarHBondContact CB-CE1 3.48Å; E418-H424 IonicContact OE2-CE1 2.69Å; E418-H424 PolarHBondContact OE2-CE1 3.33Å; E418-H424 IonicContact OE2-ND1 3.78Å; E418-H424 PolarHBondContact OE2-ND1 2.98Å
419	Y	89.3	Confident	78.4	Confident	57 Å²	57	59.6 Å²	59.6	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-69.2	-57.7	172.6	173.7	-90.4	0	0	0	111.8	I415 V416 G417 T421 G422 H424 D458 Q459 N460 H464	I415-Y419 VanDerWaalsContact O-CB 3.27Å; I415-Y419 WeakPolarHBondContact O-CB 3.48Å; I415-Y419 PolarHBondContact O-N 2.93Å; V416-Y419 WeakPolarHBondContact O-CB 3.36Å; V416-Y419 PolarHBondContact O-N 2.73Å; G417-Y419 VanDerWaalsContact C-N 3.27Å; G417-Y419 PolarHBondContact O-N 2.89Å; Y419-T421 PolarHBondContact O-N 2.67Å; Y419-T421 VanDerWaalsContact O-N 3.17Å; Y419-G422 PolarHBondContact O-N 2.56Å; Y419-H424 PolarHBondContact N-CD2 3.13Å; Y419-H424 PolarHBondContact N-NE2 2.94Å; Y419-D458 WeakPolarHBondContact CE2-O 3.38Å; Y419-D458 PolarHBondContact OH-O 2.78Å; Y419-Q459 WeakPolarHBondContact OH-CA 3.29Å; Y419-Q459 PolarHBondContact OH-O 2.87Å; Y419-N460 PolarHBondContact OH-N 3.34Å; Y419-H464 HydrophobicContact CD2-CB 4.19Å; Y419-H464 AromaticContact CD2-CD2 3.6Å; Y419-H464 AromaticContact CD2-CG 3.86Å; Y419-H464 HydrophobicContact CE2-CB 4.32Å; Y419-H464 AromaticContact CG-CD2 3.99Å
420	L	87.9	Confident	76.4	Confident	47 Å²	47	62.9 Å²	62.9	25%	0.246	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-22.6	-176.5	-68.3	175.6	0	0	0	113.4	F395 V416 G417	F395-L420 HydrophobicContact CB-CD1 4.04Å; F395-L420 HydrophobicContact CD1-CD1 3.59Å; F395-L420 HydrophobicContact CE1-CD1 4.24Å; F395-L420 HydrophobicContact CG-CD1 3.87Å; V416-L420 HydrophobicContact CG1-CD1 3.8Å; V416-L420 HydrophobicContact CG1-CG 4.2Å; V416-L420 WeakPolarHBondContact O-CB 3.4Å; V416-L420 WeakPolarHBondContact O-CG 3.49Å; V416-L420 PolarHBondContact O-N 3.01Å; G417-L420 PolarHBondContact O-N 3.39Å
421	T	84.4	Confident	74.4	Confident	52 Å²	52	62 Å²	62	32%	0.319	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-8.4	174.5	56.3	0	0	0	0	114	F288 G417 E418 Y419 V423	F288-T421 HydrophobicContact CE2-CG2 3.97Å; F288-T421 HydrophobicContact CZ-CG2 3.71Å; G417-T421 WeakPolarHBondContact O-CB 3.42Å; G417-T421 WeakPolarHBondContact O-CG2 3.4Å; G417-T421 PolarHBondContact O-N 3.43Å; G417-T421 VanDerWaalsContact O-N 3.1Å; G417-T421 PolarHBondContact O-OG1 2.88Å; E418-T421 PolarHBondContact O-OG1 3.14Å; Y419-T421 PolarHBondContact O-N 2.67Å; Y419-T421 VanDerWaalsContact O-N 3.17Å; T421-V423 PolarHBondContact O-N 3.02Å; T421-V423 VanDerWaalsContact OG1-CG2 3.23Å; T421-V423 WeakPolarHBondContact OG1-CG2 3.43Å
422	G	72.6	Confident	72.2	Confident	21 Å²	21	62.6 Å²	62.6	22%	0.216	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	15.2	-173.2	0	0	0	0	0	114.4	E418 Y419 H424 Q425	E418-G422 CarbonylContact O-C 3.57Å; E418-G422 PolarHBondContact O-N 2.92Å; Y419-G422 PolarHBondContact O-N 2.56Å; G422-H424 PolarHBondContact O-N 2.81Å; G422-Q425 WeakPolarHBondContact O-CB 3.38Å; G422-Q425 PolarHBondContact O-N 3.08Å
423	V	59.3	Low	70.1	Confident	49 Å²	49	66.6 Å²	66.6	30%	0.297	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-64.9	-27.3	-176.5	164.3	0	0	0	0	112.1	E418 T421 Q425 R426 Q427	E418-V423 HydrophobicContact CG-CG1 4.47Å; E418-V423 PolarHBondContact O-N 3.05Å; T421-V423 PolarHBondContact O-N 3.02Å; T421-V423 VanDerWaalsContact OG1-CG2 3.23Å; T421-V423 WeakPolarHBondContact OG1-CG2 3.43Å; V423-Q425 PolarHBondContact O-N 2.98Å; V423-Q425 VanDerWaalsContact O-N 3.09Å; V423-R426 PolarHBondContact O-N 2.85Å; V423-Q427 HydrophobicContact CG1-CG 3.73Å; V423-Q427 PolarHBondContact O-N 2.9Å
424	H	53	Low	68	Low	78 Å²	78	75.6 Å²	75.6	36%	0.361	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-45.9	-36.7	167.2	-73.4	-45	0	0	0	113.3	I415 E418 Y419 G422 H464	I415-H424 PolarHBondContact O-NE2 3.48Å; E418-H424 WeakPolarHBondContact CB-CE1 3.48Å; E418-H424 IonicContact OE2-CE1 2.69Å; E418-H424 PolarHBondContact OE2-CE1 3.33Å; E418-H424 IonicContact OE2-ND1 3.78Å; E418-H424 PolarHBondContact OE2-ND1 2.98Å; Y419-H424 PolarHBondContact N-CD2 3.13Å; Y419-H424 PolarHBondContact N-NE2 2.94Å; G422-H424 PolarHBondContact O-N 2.81Å; H424-H464 AromaticContact NE2-NE2 3.65Å
425	Q	49.7	Very low	66.6	Low	138 Å²	138	81.4 Å²	81.4	65%	0.645	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-78.9	-22.8	-178.9	-57	178.8	-2	0	0	112.6	G422 V423 R448	G422-Q425 WeakPolarHBondContact O-CB 3.38Å; G422-Q425 PolarHBondContact O-N 3.08Å; V423-Q425 PolarHBondContact O-N 2.98Å; V423-Q425 VanDerWaalsContact O-N 3.09Å; Q425-R448 PolarHBondContact O-NH2 3.29Å
426	R	46.9	Very low	65.8	Low	198 Å²	198	83.7 Å²	83.7	75%	0.747	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-20	-158	-62	-172.7	-179.7	-167.6	1.1	116.6	V423	V423-R426 PolarHBondContact O-N 2.85Å
427	Q	46.8	Very low	65.3	Low	91 Å²	91	87.4 Å²	87.4	43%	0.425	46%	0.46	S	S	.	.			trans	-63.2	134.1	-179.4	-69.9	-156.2	27.1	0	0	112.5	V423 R448	V423-Q427 HydrophobicContact CG1-CG 3.73Å; V423-Q427 PolarHBondContact O-N 2.9Å; Q427-R448 VanDerWaalsContact O-CZ 3.24Å; Q427-R448 PolarHBondContact O-NH1 2.87Å; Q427-R448 PolarHBondContact O-NH2 3.18Å
428	P	51.6	Low	64.6	Low	105 Å²	105	94.3 Å²	94.3	68%	0.682	50%	0.496	S	S	*	.			trans	-61.9	150.8	171.4	-23.7	34.6	0	0	0	113.2	K430	P428-K430 PolarHBondContact O-N 3.45Å
429	L	55.2	Low	64.3	Low	68 Å²	68	95.3 Å²	95.3	36%	0.356	51%	0.514	S	S	.	.			trans	-69.9	93.8	175.1	-111.2	166.4	0	0	0	110.6	V431 L444 L445 R448	L429-V431 PolarHBondContact O-N 3.32Å; L429-L444 HydrophobicContact CD1-CB 4.37Å; L429-L445 HydrophobicContact CD1-CD2 3.76Å; L429-L445 HydrophobicContact CD1-CG 4.14Å; L429-R448 HydrophobicContact CD1-CB 4.37Å
430	K	54.6	Low	63.7	Low	180 Å²	180	98 Å²	98	78%	0.783	53%	0.529	S	S	*	.			trans	-78.5	94.8	173.5	-69.6	178.9	-179.2	171.9	0	110.2	P428	P428-K430 PolarHBondContact O-N 3.45Å
431	V	55.5	Low	63.2	Low	54 Å²	54	99.4 Å²	99.4	33%	0.327	54%	0.535	S	S	.	.			trans	-83.2	115.3	167.3	-163.6	0	0	0	0	108	L429 G433 V436 L444	L429-V431 PolarHBondContact O-N 3.32Å; V431-G433 VanDerWaalsContact C-N 3.34Å; V431-G433 PolarHBondContact O-N 2.64Å; V431-V436 HydrophobicContact CB-CG2 3.73Å; V431-V436 HydrophobicContact CG1-CG2 3.56Å; V431-V436 HydrophobicContact CG2-CG2 3.99Å; V431-L444 HydrophobicContact CG2-CD1 4.02Å
432	G	49.1	Very low	63	Low	59 Å²	59	102.1 Å²	102.1	61%	0.608	54%	0.544	S	S	*	.			trans	-70.5	70.5	-158.3	0	0	0	0	0	116.3	Y434	G432-Y434 WeakPolarHBondContact O-CD2 3.42Å; G432-Y434 WeakPolarHBondContact O-CE2 3.48Å; G432-Y434 PolarHBondContact O-N 3.13Å; G432-Y434 VanDerWaalsContact O-N 3.14Å
433	G	53.1	Low	63.1	Low	83 Å²	83	102.7 Å²	102.7	86%	0.856	55%	0.55	S	S	*	*	S	Bend	trans	77.3	-13.6	177.4	0	0	0	0	0	115.3	V431	V431-G433 VanDerWaalsContact C-N 3.34Å; V431-G433 PolarHBondContact O-N 2.64Å
434	Y	54.4	Low	63.8	Low	189 Å²	189	103 Å²	103	74%	0.741	55%	0.55	S	S	*	.			trans	-72	140.7	178.1	-59.1	-74.4	0	0	0	112.6	G432 V436	G432-Y434 WeakPolarHBondContact O-CD2 3.42Å; G432-Y434 WeakPolarHBondContact O-CE2 3.48Å; G432-Y434 PolarHBondContact O-N 3.13Å; G432-Y434 VanDerWaalsContact O-N 3.14Å; Y434-V436 WeakPolarHBondContact O-CG2 3.07Å; Y434-V436 PolarHBondContact O-N 3.03Å; Y434-V436 VanDerWaalsContact O-N 3.15Å
435	K	65	Low	64.7	Low	210 Å²	210	103.7 Å²	103.7	91%	0.913	56%	0.556	S	S	*	*			trans	-73.2	104.1	172.5	-74.9	-174.3	176.6	-179.9	0	110.4
436	V	74.7	Confident	65.7	Low	48 Å²	48	102.2 Å²	102.2	29%	0.291	55%	0.549	S	S	.	.			trans	-84.5	136.5	177.2	-141.5	0	0	0	0	110.3	V431 Y434 Q440 M441 L444	V431-V436 HydrophobicContact CB-CG2 3.73Å; V431-V436 HydrophobicContact CG1-CG2 3.56Å; V431-V436 HydrophobicContact CG2-CG2 3.99Å; Y434-V436 WeakPolarHBondContact O-CG2 3.07Å; Y434-V436 PolarHBondContact O-N 3.03Å; Y434-V436 VanDerWaalsContact O-N 3.15Å; V436-Q440 HydrophobicContact CG1-CB 3.8Å; V436-M441 HydrophobicContact CB-CB 4.47Å; V436-M441 HydrophobicContact CG1-CB 4.1Å; V436-L444 HydrophobicContact CG1-CD1 4.33Å
437	T	85.3	Confident	66.5	Low	80 Å²	80	97.4 Å²	97.4	49%	0.491	54%	0.535	S	S	.	.			trans	-76.1	157.1	165.7	63.2	0	0	0	0	110.9	G439 Q440 M441	T437-G439 VanDerWaalsContact C-N 3.26Å; T437-G439 PolarHBondContact O-N 3.2Å; T437-Q440 PolarHBondContact O-N 2.92Å; T437-Q440 WeakPolarHBondContact OG1-CB 3.39Å; T437-Q440 VanDerWaalsContact OG1-CD 3.27Å; T437-Q440 VanDerWaalsContact OG1-CG 3.3Å; T437-Q440 WeakPolarHBondContact OG1-CG 3.37Å; T437-Q440 PolarHBondContact OG1-N 3.06Å; T437-Q440 PolarHBondContact OG1-OE1 2.89Å; T437-M441 WeakPolarHBondContact O-CB 3.44Å; T437-M441 PolarHBondContact O-N 2.93Å
438	L	80.8	Confident	67.4	Low	145 Å²	145	95.6 Å²	95.6	76%	0.759	52%	0.524	S	S	*	.	H	α-helix	trans	-56.2	-39.3	175.3	-85.2	163.8	0	0	0	112.5	M441 Q442	L438-M441 HydrophobicContact CD2-CE 4.3Å; L438-M441 PolarHBondContact O-N 3.03Å; L438-Q442 WeakPolarHBondContact O-CB 3.4Å; L438-Q442 PolarHBondContact O-N 3.29Å
439	G	80.4	Confident	67.8	Low	50 Å²	50	97.4 Å²	97.4	52%	0.515	52%	0.522	S	S	.	.	H	α-helix	trans	-67.6	-40.3	177.2	0	0	0	0	0	113.6	T437 Q442 G443	T437-G439 VanDerWaalsContact C-N 3.26Å; T437-G439 PolarHBondContact O-N 3.2Å; G439-Q442 PolarHBondContact O-N 3.46Å; G439-G443 PolarHBondContact O-N 2.81Å
440	Q	77.3	Confident	67.9	Low	112 Å²	112	96.7 Å²	96.7	52%	0.523	53%	0.525	S	S	.	.	H	α-helix	trans	-66.7	-39.2	173.4	-74.4	163.2	-44.1	0	0	111.9	V436 T437 G443 L444	V436-Q440 HydrophobicContact CG1-CB 3.8Å; T437-Q440 PolarHBondContact O-N 2.92Å; T437-Q440 WeakPolarHBondContact OG1-CB 3.39Å; T437-Q440 VanDerWaalsContact OG1-CD 3.27Å; T437-Q440 VanDerWaalsContact OG1-CG 3.3Å; T437-Q440 WeakPolarHBondContact OG1-CG 3.37Å; T437-Q440 PolarHBondContact OG1-N 3.06Å; T437-Q440 PolarHBondContact OG1-OE1 2.89Å; Q440-G443 PolarHBondContact O-N 3.02Å; Q440-L444 WeakPolarHBondContact O-CG 3.43Å; Q440-L444 PolarHBondContact O-N 2.69Å
441	M	77.9	Confident	67.9	Low	77 Å²	77	94.3 Å²	94.3	38%	0.379	51%	0.512	S	S	.	.	H	α-helix	trans	-70.3	-35.5	177.1	-175.3	155.7	50.6	0	0	112	V436 T437 L438 L444 L445	V436-M441 HydrophobicContact CB-CB 4.47Å; V436-M441 HydrophobicContact CG1-CB 4.1Å; T437-M441 WeakPolarHBondContact O-CB 3.44Å; T437-M441 PolarHBondContact O-N 2.93Å; L438-M441 HydrophobicContact CD2-CE 4.3Å; L438-M441 PolarHBondContact O-N 3.03Å; M441-L444 PolarHBondContact O-N 2.89Å; M441-L445 HydrophobicContact CG-CD1 4.2Å; M441-L445 WeakPolarHBondContact O-CB 3.21Å; M441-L445 WeakPolarHBondContact O-CD1 3.14Å; M441-L445 VanDerWaalsContact O-CG 3.23Å; M441-L445 WeakPolarHBondContact O-CG 3.43Å; M441-L445 PolarHBondContact O-N 3.29Å
442	Q	79.1	Confident	67.8	Low	109 Å²	109	97.1 Å²	97.1	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-60.8	-46.9	167.1	178.1	175.9	-11	0	0	110.7	L438 G439 L444 L445 E446	L438-Q442 WeakPolarHBondContact O-CB 3.4Å; L438-Q442 PolarHBondContact O-N 3.29Å; G439-Q442 PolarHBondContact O-N 3.46Å; Q442-L444 PolarHBondContact O-N 3.03Å; Q442-L445 CarbonylContact O-C 3.52Å; Q442-L445 PolarHBondContact O-N 2.82Å; Q442-L445 VanDerWaalsContact O-N 3.09Å; Q442-E446 HydrophobicContact CG-CG 4.22Å; Q442-E446 WeakPolarHBondContact CG-OE1 3.36Å; Q442-E446 PolarHBondContact NE2-OE1 3.17Å; Q442-E446 WeakPolarHBondContact O-CB 3.36Å; Q442-E446 WeakPolarHBondContact O-CG 3.34Å; Q442-E446 PolarHBondContact O-N 3.48Å
443	G	75.4	Confident	67.6	Low	34 Å²	34	99.4 Å²	99.4	35%	0.351	53%	0.529	S	S	.	.	H	α-helix	trans	-56.8	-46.4	174.9	0	0	0	0	0	113	G439 Q440 L445 E446 E447	G439-G443 PolarHBondContact O-N 2.81Å; Q440-G443 PolarHBondContact O-N 3.02Å; G443-L445 VanDerWaalsContact C-N 3.3Å; G443-L445 PolarHBondContact O-N 2.86Å; G443-E446 PolarHBondContact O-N 3.02Å; G443-E447 WeakPolarHBondContact O-CB 3.06Å; G443-E447 PolarHBondContact O-N 3.12Å
444	L	73.2	Confident	67.1	Low	54 Å²	54	99.1 Å²	99.1	28%	0.283	51%	0.514	S	S	.	.	H	α-helix	trans	-64.1	-31.8	174.9	-71.2	168.8	0	0	0	113.1	L429 V431 V436 Q440 M441 Q442 R448	L429-L444 HydrophobicContact CD1-CB 4.37Å; V431-L444 HydrophobicContact CG2-CD1 4.02Å; V436-L444 HydrophobicContact CG1-CD1 4.33Å; Q440-L444 WeakPolarHBondContact O-CG 3.43Å; Q440-L444 PolarHBondContact O-N 2.69Å; M441-L444 PolarHBondContact O-N 2.89Å; Q442-L444 PolarHBondContact O-N 3.03Å; L444-R448 WeakPolarHBondContact O-CB 3.39Å; L444-R448 PolarHBondContact O-N 2.61Å
445	L	73.1	Confident	66.8	Low	94 Å²	94	92.6 Å²	92.6	49%	0.492	50%	0.499	S	S	.	.	H	α-helix	trans	-77.8	-35.4	175.6	-75.7	165.3	0	0	0	112.4	L429 M441 Q442 G443 K449	L429-L445 HydrophobicContact CD1-CD2 3.76Å; L429-L445 HydrophobicContact CD1-CG 4.14Å; M441-L445 HydrophobicContact CG-CD1 4.2Å; M441-L445 WeakPolarHBondContact O-CB 3.21Å; M441-L445 WeakPolarHBondContact O-CD1 3.14Å; M441-L445 VanDerWaalsContact O-CG 3.23Å; M441-L445 WeakPolarHBondContact O-CG 3.43Å; M441-L445 PolarHBondContact O-N 3.29Å; Q442-L445 CarbonylContact O-C 3.52Å; Q442-L445 PolarHBondContact O-N 2.82Å; Q442-L445 VanDerWaalsContact O-N 3.09Å; G443-L445 VanDerWaalsContact C-N 3.3Å; G443-L445 PolarHBondContact O-N 2.86Å; L445-K449 WeakPolarHBondContact O-CB 3.4Å; L445-K449 PolarHBondContact O-N 3.08Å
446	E	70.6	Confident	66.2	Low	107 Å²	107	85.3 Å²	85.3	50%	0.5	47%	0.468	S	S	.	.	H	α-helix	trans	-72.8	-39.8	174.7	-75.5	175.3	178.6	0	0	111.1	Q442 G443 K449 A450	Q442-E446 HydrophobicContact CG-CG 4.22Å; Q442-E446 WeakPolarHBondContact CG-OE1 3.36Å; Q442-E446 PolarHBondContact NE2-OE1 3.17Å; Q442-E446 WeakPolarHBondContact O-CB 3.36Å; Q442-E446 WeakPolarHBondContact O-CG 3.34Å; Q442-E446 PolarHBondContact O-N 3.48Å; G443-E446 PolarHBondContact O-N 3.02Å; E446-K449 CarbonylContact O-C 3.5Å; E446-K449 PolarHBondContact O-N 3.45Å; E446-A450 WeakPolarHBondContact O-CB 3.49Å; E446-A450 PolarHBondContact O-N 3.18Å
447	E	63.7	Low	65.6	Low	96 Å²	96	89.9 Å²	89.9	45%	0.449	49%	0.486	S	S	.	.	H	α-helix	trans	-66.3	-40.2	170.9	-172.3	-160.1	-113.3	0	0	111.3	G443 A450 R451	G443-E447 WeakPolarHBondContact O-CB 3.06Å; G443-E447 PolarHBondContact O-N 3.12Å; E447-A450 WeakPolarHBondContact O-CB 3.34Å; E447-A450 PolarHBondContact O-N 3.31Å; E447-R451 PolarHBondContact O-N 3.18Å; E447-R451 IonicContact OE2-CZ 2.8Å; E447-R451 VanDerWaalsContact OE2-CZ 3.31Å; E447-R451 IonicContact OE2-NH1 3.91Å; E447-R451 PolarHBondContact OE2-NH1 3.06Å; E447-R451 IonicContact OE2-NH2 3.59Å; E447-R451 PolarHBondContact OE2-NH2 3.34Å
448	R	64.6	Low	65.4	Low	54 Å²	54	86.5 Å²	86.5	20%	0.204	46%	0.464	C	S	.	.	H	α-helix	trans	-63.9	-42.6	170	-179.9	175.4	-179.9	144.8	-2.7	111.7	Q425 Q427 L429 L444 A450 R451 M452	Q425-R448 PolarHBondContact O-NH2 3.29Å; Q427-R448 VanDerWaalsContact O-CZ 3.24Å; Q427-R448 PolarHBondContact O-NH1 2.87Å; Q427-R448 PolarHBondContact O-NH2 3.18Å; L429-R448 HydrophobicContact CD1-CB 4.37Å; L444-R448 WeakPolarHBondContact O-CB 3.39Å; L444-R448 PolarHBondContact O-N 2.61Å; R448-A450 VanDerWaalsContact C-N 3.31Å; R448-R451 CarbonylContact O-C 3.48Å; R448-R451 PolarHBondContact O-N 3.35Å; R448-M452 HydrophobicContact CG-CG 4.46Å; R448-M452 HydrophobicContact CG-SD 4.01Å; R448-M452 VanDerWaalsContact O-CG 3.29Å; R448-M452 WeakPolarHBondContact O-CG 3.48Å; R448-M452 PolarHBondContact O-N 2.76Å
449	K	61.3	Low	65.7	Low	143 Å²	143	86 Å²	86	62%	0.622	46%	0.458	S	S	*	.	H	α-helix	trans	-64.3	-38.7	176.8	-175	-177.6	177.9	-173.2	0	110.9	L445 E446 M452 S453	L445-K449 WeakPolarHBondContact O-CB 3.4Å; L445-K449 PolarHBondContact O-N 3.08Å; E446-K449 CarbonylContact O-C 3.5Å; E446-K449 PolarHBondContact O-N 3.45Å; K449-M452 CarbonylContact O-C 3.53Å; K449-M452 PolarHBondContact O-N 3.42Å; K449-M452 VanDerWaalsContact O-N 3.16Å; K449-S453 WeakPolarHBondContact O-CB 3.35Å; K449-S453 PolarHBondContact O-N 2.84Å; K449-S453 PolarHBondContact O-OG 2.87Å
450	A	56.8	Low	66.4	Low	53 Å²	53	83.6 Å²	83.6	44%	0.438	43%	0.434	S	S	.	.	H	α-helix	trans	-59.4	-53.7	169.9	0	0	0	0	0	109.9	E446 E447 R448 M452 S453 S454	E446-A450 WeakPolarHBondContact O-CB 3.49Å; E446-A450 PolarHBondContact O-N 3.18Å; E447-A450 WeakPolarHBondContact O-CB 3.34Å; E447-A450 PolarHBondContact O-N 3.31Å; R448-A450 VanDerWaalsContact C-N 3.31Å; A450-M452 PolarHBondContact O-N 2.85Å; A450-S453 CarbonylContact O-C 3.55Å; A450-S453 PolarHBondContact O-N 3.23Å; A450-S454 WeakPolarHBondContact O-CA 3.17Å; A450-S454 WeakPolarHBondContact O-CB 3.34Å; A450-S454 PolarHBondContact O-N 2.7Å; A450-S454 PolarHBondContact O-OG 2.78Å
451	R	55.4	Low	67.3	Low	130 Å²	130	78.4 Å²	78.4	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-56.5	-23.5	172.8	-74.4	-169.5	-66.9	-95.3	-9.9	114.7	E447 R448 A455	E447-R451 PolarHBondContact O-N 3.18Å; E447-R451 IonicContact OE2-CZ 2.8Å; E447-R451 VanDerWaalsContact OE2-CZ 3.31Å; E447-R451 IonicContact OE2-NH1 3.91Å; E447-R451 PolarHBondContact OE2-NH1 3.06Å; E447-R451 IonicContact OE2-NH2 3.59Å; E447-R451 PolarHBondContact OE2-NH2 3.34Å; R448-R451 CarbonylContact O-C 3.48Å; R448-R451 PolarHBondContact O-N 3.35Å; R451-A455 WeakPolarHBondContact O-CA 3.36Å; R451-A455 WeakPolarHBondContact O-CB 3.41Å; R451-A455 PolarHBondContact O-N 3.06Å; R451-A455 VanDerWaalsContact O-N 3.09Å
452	M	52.3	Low	68.2	Low	113 Å²	113	74.7 Å²	74.7	56%	0.557	39%	0.392	S	S	*	.	H	α-helix	trans	-88.6	-23.5	175	-70.8	173.6	68.1	0	0	113.5	R448 K449 A450	R448-M452 HydrophobicContact CG-CG 4.46Å; R448-M452 HydrophobicContact CG-SD 4.01Å; R448-M452 VanDerWaalsContact O-CG 3.29Å; R448-M452 WeakPolarHBondContact O-CG 3.48Å; R448-M452 PolarHBondContact O-N 2.76Å; K449-M452 CarbonylContact O-C 3.53Å; K449-M452 PolarHBondContact O-N 3.42Å; K449-M452 VanDerWaalsContact O-N 3.16Å; A450-M452 PolarHBondContact O-N 2.85Å
453	S	44.4	Very low	69.1	Low	106 Å²	106	69.5 Å²	69.5	74%	0.741	37%	0.367	S	S	*	.	H	α-helix	trans	-99.1	-16.6	175.5	-60.1	0	0	0	0	113.5	K449 A450	K449-S453 WeakPolarHBondContact O-CB 3.35Å; K449-S453 PolarHBondContact O-N 2.84Å; K449-S453 PolarHBondContact O-OG 2.87Å; A450-S453 CarbonylContact O-C 3.55Å; A450-S453 PolarHBondContact O-N 3.23Å
454	S	43.9	Very low	70	Confident	78 Å²	78	69.1 Å²	69.1	55%	0.545	36%	0.356	S	S	.	.	S	Bend	trans	-110.4	21.6	165.3	81.7	0	0	0	0	110.4	A450 F456	A450-S454 WeakPolarHBondContact O-CA 3.17Å; A450-S454 WeakPolarHBondContact O-CB 3.34Å; A450-S454 PolarHBondContact O-N 2.7Å; A450-S454 PolarHBondContact O-OG 2.78Å; S454-F456 PolarHBondContact O-N 2.83Å
455	A	47.5	Very low	71	Confident	52 Å²	52	66.5 Å²	66.5	43%	0.43	34%	0.343	S	S	.	.			trans	-55.8	124.7	170.7	0	0	0	0	0	107	R451 E457	R451-A455 WeakPolarHBondContact O-CA 3.36Å; R451-A455 WeakPolarHBondContact O-CB 3.41Å; R451-A455 PolarHBondContact O-N 3.06Å; R451-A455 VanDerWaalsContact O-N 3.09Å; A455-E457 PolarHBondContact O-N 3.02Å
456	F	52.4	Low	72.1	Confident	57 Å²	57	62.1 Å²	62.1	25%	0.25	32%	0.319	C	S	.	.			trans	-65.6	106.6	170.8	-64.2	-73	0	0	0	106.9	P66 N70 S454 D458 R467 V478	P66-F456 HydrophobicContact CB-CE1 4.41Å; N70-F456 WeakPolarHBondContact OD1-CD1 3.21Å; S454-F456 PolarHBondContact O-N 2.83Å; F456-D458 PolarHBondContact O-N 3.5Å; F456-R467 VanDerWaalsContact CD1-CZ 3.47Å; F456-R467 VanDerWaalsContact CE1-NH1 3.32Å; F456-V478 HydrophobicContact CE2-CG1 4.15Å
457	E	63.1	Low	73.2	Confident	143 Å²	143	57 Å²	57	67%	0.668	30%	0.296	S	S	*	.			trans	-72.3	61.9	173.2	-67.3	-170.3	176.4	0	0	110.2	K74 A455 Q459	K74-E457 PolarHBondContact NZ-O 3.49Å; A455-E457 PolarHBondContact O-N 3.02Å; E457-Q459 PolarHBondContact O-N 3.05Å
458	D	79.6	Confident	74.6	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.048	28%	0.279	C	S	.	.			trans	-62	113.2	156.3	-57.8	-38.8	0	0	0	105.6	Y419 F456 H464 R467	Y419-D458 WeakPolarHBondContact CE2-O 3.38Å; Y419-D458 PolarHBondContact OH-O 2.78Å; F456-D458 PolarHBondContact O-N 3.5Å; D458-H464 HydrophobicContact CB-CB 3.76Å; D458-H464 WeakPolarHBondContact OD2-CA 3.3Å; D458-H464 IonicContact OD2-CG 2.73Å; D458-H464 IonicContact OD2-ND1 2.82Å; D458-H464 PolarHBondContact OD2-ND1 3.21Å; D458-R467 IonicContact OD1-CZ 3.91Å; D458-R467 IonicContact OD1-NE 2.85Å; D458-R467 PolarHBondContact OD1-NE 2.85Å; D458-R467 IonicContact OD1-NH2 3.09Å; D458-R467 PolarHBondContact OD1-NH2 3.47Å; D458-R467 WeakPolarHBondContact OD2-CD 3.47Å; D458-R467 IonicContact OD2-CZ 3.79Å; D458-R467 IonicContact OD2-NE 2.96Å; D458-R467 PolarHBondContact OD2-NE 3.24Å; D458-R467 IonicContact OD2-NH2 3.84Å
459	Q	87.5	Confident	76	Confident	135 Å²	135	51 Å²	51	63%	0.631	27%	0.271	S	S	*	.			trans	-98.3	13.9	176.9	-64.4	-179.8	6.7	0	0	110	Y419 E457	Y419-Q459 WeakPolarHBondContact OH-CA 3.29Å; Y419-Q459 PolarHBondContact OH-O 2.87Å; E457-Q459 PolarHBondContact O-N 3.05Å
460	N	94.8	Very high	77.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-144.2	124.4	-173.5	177.1	-64.1	0	0	0	108.4	E77 Y78 S79 Y419 A462 T463 H464	E77-N460 HydrophobicContact CG-CB 3.7Å; E77-N460 WeakPolarHBondContact OE2-CB 3.48Å; Y78-N460 PolarHBondContact O-ND2 3.05Å; S79-N460 PolarHBondContact OG-ND2 2.81Å; Y419-N460 PolarHBondContact OH-N 3.34Å; N460-A462 VanDerWaalsContact C-N 3.35Å; N460-A462 PolarHBondContact O-N 3.04Å; N460-A462 WeakPolarHBondContact OD1-CA 3.16Å; N460-A462 VanDerWaalsContact OD1-CB 3.32Å; N460-A462 WeakPolarHBondContact OD1-CB 3.17Å; N460-A462 PolarHBondContact OD1-N 3.49Å; N460-T463 PolarHBondContact O-N 3.42Å; N460-T463 PolarHBondContact OD1-N 3.25Å; N460-T463 PolarHBondContact OD1-OG1 2.7Å; N460-H464 PolarHBondContact O-N 3.45Å
461	S	95.9	Very high	79.1	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.014	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-30.9	-176.9	48.6	0	0	0	0	113.8	E97 H464 L465 V505	E97-S461 WeakPolarHBondContact OE2-CB 3.37Å; E97-S461 PolarHBondContact OE2-N 2.82Å; E97-S461 PolarHBondContact OE2-OG 3.25Å; S461-H464 PolarHBondContact O-N 2.77Å; S461-L465 WeakPolarHBondContact O-CB 3.27Å; S461-L465 PolarHBondContact O-N 3.1Å; S461-V505 WeakPolarHBondContact OG-CB 3.29Å; S461-V505 WeakPolarHBondContact OG-CG1 3.45Å
462	A	97.9	Very high	80.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-70.7	-42.3	175	0	0	0	0	0	111.5	N99 N460 H464 L465 M466 I503 V505	N99-A462 HydrophobicContact CB-CB 4.1Å; N460-A462 VanDerWaalsContact C-N 3.35Å; N460-A462 PolarHBondContact O-N 3.04Å; N460-A462 WeakPolarHBondContact OD1-CA 3.16Å; N460-A462 VanDerWaalsContact OD1-CB 3.32Å; N460-A462 WeakPolarHBondContact OD1-CB 3.17Å; N460-A462 PolarHBondContact OD1-N 3.49Å; A462-H464 VanDerWaalsContact C-N 3.32Å; A462-H464 PolarHBondContact O-N 3.06Å; A462-L465 PolarHBondContact O-N 3.16Å; A462-M466 VanDerWaalsContact O-CB 3.23Å; A462-M466 WeakPolarHBondContact O-CB 3.45Å; A462-M466 PolarHBondContact O-N 2.82Å; A462-I503 HydrophobicContact CB-CB 4.02Å; A462-I503 HydrophobicContact CB-CG2 3.84Å; A462-V505 HydrophobicContact CB-CG2 4.31Å
463	T	96.9	Very high	81.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-42.9	170.8	-51.1	0	0	0	0	111.6	L73 K74 E77 N99 N460 M466 R467	L73-T463 HydrophobicContact CB-CG2 4.14Å; K74-T463 HydrophobicContact CG-CG2 4.15Å; E77-T463 VanDerWaalsContact OE2-CB 3.23Å; E77-T463 WeakPolarHBondContact OE2-CB 3.48Å; E77-T463 WeakPolarHBondContact OE2-CG2 3.42Å; E77-T463 PolarHBondContact OE2-OG1 2.79Å; N99-T463 PolarHBondContact ND2-OG1 3.46Å; N460-T463 PolarHBondContact O-N 3.42Å; N460-T463 PolarHBondContact OD1-N 3.25Å; N460-T463 PolarHBondContact OD1-OG1 2.7Å; T463-M466 PolarHBondContact O-N 2.64Å; T463-R467 WeakPolarHBondContact O-CB 3.36Å; T463-R467 PolarHBondContact O-N 2.87Å
464	H	94.4	Very high	82.7	Confident	25 Å²	25	37.6 Å²	37.6	12%	0.116	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-45.4	178.7	-168.3	56	0	0	0	112.2	Y419 H424 D458 N460 S461 A462 R467 H468	Y419-H464 HydrophobicContact CD2-CB 4.19Å; Y419-H464 AromaticContact CD2-CD2 3.6Å; Y419-H464 AromaticContact CD2-CG 3.86Å; Y419-H464 HydrophobicContact CE2-CB 4.32Å; Y419-H464 AromaticContact CG-CD2 3.99Å; H424-H464 AromaticContact NE2-NE2 3.65Å; D458-H464 HydrophobicContact CB-CB 3.76Å; D458-H464 WeakPolarHBondContact OD2-CA 3.3Å; D458-H464 IonicContact OD2-CG 2.73Å; D458-H464 IonicContact OD2-ND1 2.82Å; D458-H464 PolarHBondContact OD2-ND1 3.21Å; N460-H464 PolarHBondContact O-N 3.45Å; S461-H464 PolarHBondContact O-N 2.77Å; A462-H464 VanDerWaalsContact C-N 3.32Å; A462-H464 PolarHBondContact O-N 3.06Å; H464-R467 WeakPolarHBondContact O-CB 3.48Å; H464-R467 PolarHBondContact O-N 2.6Å; H464-H468 AromaticContact CE1-NE2 3.99Å; H464-H468 AromaticContact NE2-NE2 3.96Å; H464-H468 PolarHBondContact O-CD2 3.48Å; H464-H468 PolarHBondContact O-N 3.28Å; H464-H468 VanDerWaalsContact O-N 3.17Å
465	L	95.1	Very high	83.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-41.3	176.9	-178.1	60.6	0	0	0	112.2	V397 L403 L407 V412 I415 V416 S461 A462 R467 H468 A469 I503	V397-L465 HydrophobicContact CG1-CD2 4.09Å; L403-L465 HydrophobicContact CD1-CD1 4.31Å; L403-L465 HydrophobicContact CD1-CD2 3.99Å; L403-L465 HydrophobicContact CD1-CG 3.9Å; L403-L465 HydrophobicContact CD2-CD2 3.95Å; L407-L465 HydrophobicContact CD1-CD1 3.72Å; V412-L465 HydrophobicContact CB-CD1 4.24Å; V412-L465 HydrophobicContact CG1-CD1 3.99Å; V412-L465 HydrophobicContact CG1-CD2 3.65Å; V412-L465 HydrophobicContact CG1-CG 4.47Å; V412-L465 HydrophobicContact CG2-CD1 4.21Å; I415-L465 HydrophobicContact CB-CD1 4.41Å; I415-L465 HydrophobicContact CD1-CD1 4.33Å; I415-L465 HydrophobicContact CG2-CD1 4.28Å; V416-L465 HydrophobicContact CG2-CB 4.34Å; V416-L465 HydrophobicContact CG2-CD1 4.47Å; V416-L465 HydrophobicContact CG2-CD2 4.01Å; S461-L465 WeakPolarHBondContact O-CB 3.27Å; S461-L465 PolarHBondContact O-N 3.1Å; A462-L465 PolarHBondContact O-N 3.16Å; L465-R467 VanDerWaalsContact C-N 3.34Å; L465-R467 PolarHBondContact O-N 3.33Å; L465-H468 WeakPolarHBondContact O-CB 3.44Å; L465-H468 PolarHBondContact O-N 2.87Å; L465-H468 VanDerWaalsContact O-N 3.15Å; L465-A469 PolarHBondContact O-N 3.06Å; L465-I503 HydrophobicContact CB-CD1 4.23Å; L465-I503 HydrophobicContact CD2-CD1 4.06Å; L465-I503 HydrophobicContact CD2-CG2 3.98Å; L465-I503 HydrophobicContact CG-CD1 4.03Å
466	M	95.3	Very high	84.6	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-39.4	174.4	178.2	-177.3	-76.7	0	0	112.5	L73 N99 L101 A462 T463 H468 A469 V470 I501 I503	L73-M466 HydrophobicContact CD2-CG 4.04Å; L73-M466 HydrophobicContact CD2-SD 4.06Å; N99-M466 HydrophobicContact CB-CE 3.78Å; N99-M466 HydrophobicContact CB-SD 4.36Å; L101-M466 HydrophobicContact CB-CE 3.77Å; L101-M466 HydrophobicContact CB-CG 4.3Å; L101-M466 HydrophobicContact CB-SD 3.65Å; L101-M466 HydrophobicContact CD2-CG 4.47Å; A462-M466 VanDerWaalsContact O-CB 3.23Å; A462-M466 WeakPolarHBondContact O-CB 3.45Å; A462-M466 PolarHBondContact O-N 2.82Å; T463-M466 PolarHBondContact O-N 2.64Å; M466-H468 VanDerWaalsContact C-N 3.29Å; M466-H468 PolarHBondContact O-N 3.17Å; M466-A469 PolarHBondContact O-N 3.02Å; M466-V470 PolarHBondContact O-N 2.93Å; M466-V470 VanDerWaalsContact O-N 3.11Å; M466-I501 HydrophobicContact CE-CG2 4.38Å; M466-I501 WeakPolarHBondContact CE-O 3.48Å; M466-I503 HydrophobicContact CB-CD1 4.03Å
467	R	94.9	Very high	85.6	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-40	173.1	-173.2	-174.6	-61.1	-82.4	-1.6	111.7	N70 L73 F456 D458 T463 H464 L465 G471 V478 L483	N70-R467 VanDerWaalsContact OD1-CZ 3.32Å; N70-R467 PolarHBondContact OD1-NH1 3.39Å; N70-R467 PolarHBondContact OD1-NH2 3.01Å; L73-R467 HydrophobicContact CD1-CB 4.07Å; L73-R467 HydrophobicContact CD1-CG 4.05Å; F456-R467 VanDerWaalsContact CD1-CZ 3.47Å; F456-R467 VanDerWaalsContact CE1-NH1 3.32Å; D458-R467 IonicContact OD1-CZ 3.91Å; D458-R467 IonicContact OD1-NE 2.85Å; D458-R467 PolarHBondContact OD1-NE 2.85Å; D458-R467 IonicContact OD1-NH2 3.09Å; D458-R467 PolarHBondContact OD1-NH2 3.47Å; D458-R467 WeakPolarHBondContact OD2-CD 3.47Å; D458-R467 IonicContact OD2-CZ 3.79Å; D458-R467 IonicContact OD2-NE 2.96Å; D458-R467 PolarHBondContact OD2-NE 3.24Å; D458-R467 IonicContact OD2-NH2 3.84Å; T463-R467 WeakPolarHBondContact O-CB 3.36Å; T463-R467 PolarHBondContact O-N 2.87Å; H464-R467 WeakPolarHBondContact O-CB 3.48Å; H464-R467 PolarHBondContact O-N 2.6Å; L465-R467 VanDerWaalsContact C-N 3.34Å; L465-R467 PolarHBondContact O-N 3.33Å; R467-G471 WeakPolarHBondContact O-CA 3.48Å; R467-G471 PolarHBondContact O-N 3.35Å; R467-V478 HydrophobicContact CG-CG1 3.94Å; R467-V478 HydrophobicContact CG-CG2 4.31Å; R467-L483 HydrophobicContact CG-CD2 3.68Å
468	H	93.4	Very high	86.6	Confident	21 Å²	21	36.7 Å²	36.7	10%	0.097	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-49.7	172.1	-87.8	-94.9	0	0	0	111.8	L407 I415 H464 L465 M466 V470 G471 N472	L407-H468 HydrophobicContact CD1-CB 4.17Å; I415-H468 HydrophobicContact CD1-CB 3.81Å; H464-H468 AromaticContact CE1-NE2 3.99Å; H464-H468 AromaticContact NE2-NE2 3.96Å; H464-H468 PolarHBondContact O-CD2 3.48Å; H464-H468 PolarHBondContact O-N 3.28Å; H464-H468 VanDerWaalsContact O-N 3.17Å; L465-H468 WeakPolarHBondContact O-CB 3.44Å; L465-H468 PolarHBondContact O-N 2.87Å; L465-H468 VanDerWaalsContact O-N 3.15Å; M466-H468 VanDerWaalsContact C-N 3.29Å; M466-H468 PolarHBondContact O-N 3.17Å; H468-V470 VanDerWaalsContact C-N 3.33Å; H468-V470 PolarHBondContact O-N 3.25Å; H468-G471 PolarHBondContact O-N 3.44Å; H468-N472 VanDerWaalsContact O-CB 3.29Å; H468-N472 WeakPolarHBondContact O-CB 3.48Å; H468-N472 PolarHBondContact O-N 3.22Å
469	A	93.9	Very high	86.9	Confident	3 Å²	3	39 Å²	39	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-52.4	-47.3	-179.3	0	0	0	0	0	113.1	L403 T406 L407 L465 M466 I501	L403-A469 HydrophobicContact CD1-CB 4.36Å; T406-A469 WeakPolarHBondContact OG1-CB 3.23Å; L407-A469 HydrophobicContact CD1-CB 4.1Å; L407-A469 HydrophobicContact CG-CB 4.39Å; L465-A469 PolarHBondContact O-N 3.06Å; M466-A469 PolarHBondContact O-N 3.02Å; A469-I501 HydrophobicContact CB-CD1 4.37Å
470	V	93.6	Very high	86.8	Confident	9 Å²	9	34.8 Å²	34.8	6%	0.055	18%	0.179	C	C	.	.	H	α-helix	trans	-79.7	-37.9	-179.6	-177	0	0	0	0	112.3	L101 M466 H468 R482 L483 M486 I501	L101-V470 HydrophobicContact CD2-CG2 3.52Å; M466-V470 PolarHBondContact O-N 2.93Å; M466-V470 VanDerWaalsContact O-N 3.11Å; H468-V470 VanDerWaalsContact C-N 3.33Å; H468-V470 PolarHBondContact O-N 3.25Å; V470-R482 PolarHBondContact O-NE 3.39Å; V470-R482 VanDerWaalsContact O-NE 3.08Å; V470-L483 HydrophobicContact CB-CD1 3.79Å; V470-L483 HydrophobicContact CG1-CD1 3.71Å; V470-M486 HydrophobicContact CG1-CB 3.43Å; V470-M486 VanDerWaalsContact CG1-CB 3.43Å; V470-M486 HydrophobicContact CG1-CG 4.02Å; V470-I501 HydrophobicContact CG2-CD1 4.01Å
471	G	89.3	Confident	86.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-95.9	-6.5	-168.4	0	0	0	0	0	116.6	R467 H468 N473 D479	R467-G471 WeakPolarHBondContact O-CA 3.48Å; R467-G471 PolarHBondContact O-N 3.35Å; H468-G471 PolarHBondContact O-N 3.44Å; G471-N473 PolarHBondContact O-N 3.1Å; G471-D479 PolarHBondContact O-N 3.06Å
472	N	81.8	Confident	86.2	Confident	17 Å²	17	44.1 Å²	44.1	9%	0.091	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-61.3	134.3	-172.8	-130	7.9	0	0	0	112.4	L407 E411 H468 G476 T477 R482	L407-N472 HydrophobicContact CD2-CB 4.45Å; L407-N472 VanDerWaalsContact CD2-ND2 3.31Å; L407-N472 WeakPolarHBondContact CD2-ND2 3.22Å; E411-N472 PolarHBondContact OE1-ND2 3.17Å; H468-N472 VanDerWaalsContact O-CB 3.29Å; H468-N472 WeakPolarHBondContact O-CB 3.48Å; H468-N472 PolarHBondContact O-N 3.22Å; N472-G476 WeakPolarHBondContact OD1-CA 3.32Å; N472-T477 PolarHBondContact OD1-N 2.62Å; N472-T477 VanDerWaalsContact OD1-N 3.15Å; N472-R482 WeakPolarHBondContact O-CD 3.31Å; N472-R482 PolarHBondContact O-NE 3.47Å; N472-R482 PolarHBondContact O-NH1 3.35Å
473	N	75.7	Confident	85.8	Confident	49 Å²	49	44.1 Å²	44.1	26%	0.262	22%	0.218	S	C	.	.			trans	-96	176.4	164.9	64.8	25.1	0	0	0	111.3	G471 F475 G476 T477 D479	G471-N473 PolarHBondContact O-N 3.1Å; N473-F475 PolarHBondContact O-N 3.32Å; N473-F475 PolarHBondContact OD1-N 3.07Å; N473-F475 VanDerWaalsContact OD1-N 3.08Å; N473-G476 PolarHBondContact O-N 3.39Å; N473-G476 PolarHBondContact OD1-N 3.29Å; N473-T477 VanDerWaalsContact CG-OG1 3.23Å; N473-T477 PolarHBondContact N-O 2.92Å; N473-T477 PolarHBondContact ND2-O 2.89Å; N473-T477 PolarHBondContact ND2-OG1 3.32Å; N473-T477 PolarHBondContact OD1-N 2.95Å; N473-T477 VanDerWaalsContact OD1-N 3.17Å; N473-T477 PolarHBondContact OD1-O 3.49Å; N473-T477 PolarHBondContact OD1-OG1 3.39Å; N473-D479 HydrophobicContact CB-CB 4.44Å
474	E	69.9	Low	85.6	Confident	188 Å²	188	44.1 Å²	44.1	88%	0.879	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-9.7	-179.8	-61.3	176.5	-177.8	0	0	114.3
475	F	65.5	Low	85.5	Confident	174 Å²	174	48.2 Å²	48.2	76%	0.763	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.4	9.9	-179.3	-51.8	-71.7	0	0	0	113.5	N473	N473-F475 PolarHBondContact O-N 3.32Å; N473-F475 PolarHBondContact OD1-N 3.07Å; N473-F475 VanDerWaalsContact OD1-N 3.08Å
476	G	66	Low	85.4	Confident	24 Å²	24	50 Å²	50	25%	0.247	25%	0.245	C	C	.	.	S	Bend	trans	71	29.2	179	0	0	0	0	0	113.8	N472 N473	N472-G476 WeakPolarHBondContact OD1-CA 3.32Å; N473-G476 PolarHBondContact O-N 3.39Å; N473-G476 PolarHBondContact OD1-N 3.29Å
477	T	73.6	Confident	85.3	Confident	75 Å²	75	50.8 Å²	50.8	46%	0.46	25%	0.249	S	C	.	.			trans	-125.8	145.8	178.9	58.4	0	0	0	0	111.7	N472 N473 D479	N472-T477 PolarHBondContact OD1-N 2.62Å; N472-T477 VanDerWaalsContact OD1-N 3.15Å; N473-T477 VanDerWaalsContact CG-OG1 3.23Å; N473-T477 PolarHBondContact N-O 2.92Å; N473-T477 PolarHBondContact ND2-O 2.89Å; N473-T477 PolarHBondContact ND2-OG1 3.32Å; N473-T477 PolarHBondContact OD1-N 2.95Å; N473-T477 VanDerWaalsContact OD1-N 3.17Å; N473-T477 PolarHBondContact OD1-O 3.49Å; N473-T477 PolarHBondContact OD1-OG1 3.39Å; T477-D479 PolarHBondContact O-N 3.04Å
478	V	83.3	Confident	85.3	Confident	37 Å²	37	52.8 Å²	52.8	22%	0.224	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-70.3	114.8	177.5	178.9	0	0	0	0	110	F456 R467 L483	F456-V478 HydrophobicContact CE2-CG1 4.15Å; R467-V478 HydrophobicContact CG-CG1 3.94Å; R467-V478 HydrophobicContact CG-CG2 4.31Å; V478-L483 HydrophobicContact CG1-CD2 4.04Å
479	D	85.6	Confident	85.2	Confident	58 Å²	58	53.7 Å²	53.7	31%	0.31	27%	0.268	S	S	.	.			trans	-90.6	124.1	166.7	170.7	32.5	0	0	0	110.5	G471 N473 T477 E481 R482 L483	G471-D479 PolarHBondContact O-N 3.06Å; N473-D479 HydrophobicContact CB-CB 4.44Å; T477-D479 PolarHBondContact O-N 3.04Å; D479-E481 VanDerWaalsContact C-N 3.31Å; D479-E481 PolarHBondContact O-N 3.01Å; D479-E481 PolarHBondContact OD1-N 2.88Å; D479-R482 HydrophobicContact CB-CB 4.09Å; D479-R482 VanDerWaalsContact OD2-CB 3.3Å; D479-R482 WeakPolarHBondContact OD2-CB 3.47Å; D479-R482 PolarHBondContact OD2-N 3.44Å; D479-L483 WeakPolarHBondContact O-CB 3.26Å; D479-L483 PolarHBondContact O-N 2.98Å
480	H	86.1	Confident	85.1	Confident	46 Å²	46	57.3 Å²	57.3	21%	0.213	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-31.5	175.3	-177.1	80.3	0	0	0	112.2	L64 S484	L64-H480 PolarHBondContact O-CE1 3.31Å; L64-H480 PolarHBondContact O-NE2 3.06Å; H480-S484 WeakPolarHBondContact O-CB 3.36Å; H480-S484 PolarHBondContact O-N 2.9Å
481	E	87.4	Confident	84.8	Confident	96 Å²	96	63.7 Å²	63.7	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-70.8	-46.2	-179.5	-160.5	-174.8	142	0	0	111.3	D479 K485	D479-E481 VanDerWaalsContact C-N 3.31Å; D479-E481 PolarHBondContact O-N 3.01Å; D479-E481 PolarHBondContact OD1-N 2.88Å; E481-K485 VanDerWaalsContact O-CG 3.27Å; E481-K485 WeakPolarHBondContact O-CG 3.48Å; E481-K485 PolarHBondContact O-N 2.64Å; E481-K485 WeakPolarHBondContact OE1-CE 3.33Å; E481-K485 IonicContact OE1-NZ 3.4Å; E481-K485 PolarHBondContact OE1-NZ 3.36Å
482	R	89.4	Confident	84.7	Confident	103 Å²	103	72.3 Å²	72.3	39%	0.389	36%	0.361	S	S	.	.	H	α-helix	trans	-56.8	-53.6	169.1	178.6	179.9	175.6	138.9	11	111.5	V470 N472 D479 S484 K485 M486	V470-R482 PolarHBondContact O-NE 3.39Å; V470-R482 VanDerWaalsContact O-NE 3.08Å; N472-R482 WeakPolarHBondContact O-CD 3.31Å; N472-R482 PolarHBondContact O-NE 3.47Å; N472-R482 PolarHBondContact O-NH1 3.35Å; D479-R482 HydrophobicContact CB-CB 4.09Å; D479-R482 VanDerWaalsContact OD2-CB 3.3Å; D479-R482 WeakPolarHBondContact OD2-CB 3.47Å; D479-R482 PolarHBondContact OD2-N 3.44Å; R482-S484 VanDerWaalsContact C-N 3.31Å; R482-S484 PolarHBondContact O-N 3.47Å; R482-K485 PolarHBondContact O-N 3.02Å; R482-K485 VanDerWaalsContact O-N 3.08Å; R482-M486 HydrophobicContact CG-CG 4.38Å; R482-M486 WeakPolarHBondContact O-CG 3.37Å; R482-M486 PolarHBondContact O-N 2.71Å
483	L	91.2	Very high	85.1	Confident	0 Å²	0	75 Å²	75	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-58.4	-44.6	-177.7	-178.3	60.5	0	0	0	111.3	V69 L73 R467 V470 V478 D479 M486 L487	V69-L483 HydrophobicContact CG1-CD2 3.51Å; V69-L483 HydrophobicContact CG1-CG 3.8Å; L73-L483 HydrophobicContact CD1-CD1 4.32Å; L73-L483 HydrophobicContact CD1-CD2 4.22Å; R467-L483 HydrophobicContact CG-CD2 3.68Å; V470-L483 HydrophobicContact CB-CD1 3.79Å; V470-L483 HydrophobicContact CG1-CD1 3.71Å; V478-L483 HydrophobicContact CG1-CD2 4.04Å; D479-L483 WeakPolarHBondContact O-CB 3.26Å; D479-L483 PolarHBondContact O-N 2.98Å; L483-M486 PolarHBondContact O-N 3.11Å; L483-L487 HydrophobicContact CD1-CD1 3.82Å; L483-L487 HydrophobicContact CD1-CG 4.26Å; L483-L487 HydrophobicContact CG-CD1 4.05Å; L483-L487 WeakPolarHBondContact O-CB 3.4Å; L483-L487 VanDerWaalsContact O-CG 3.3Å; L483-L487 WeakPolarHBondContact O-CG 3.38Å; L483-L487 PolarHBondContact O-N 2.87Å; L483-L487 VanDerWaalsContact O-N 3.09Å
484	S	92.3	Very high	85.9	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-43.8	173.6	174.3	0	0	0	0	112.6	I63 L64 H480 R482 S488	I63-S484 VanDerWaalsContact CA-OG 3.3Å; I63-S484 WeakPolarHBondContact CA-OG 3.48Å; L64-S484 PolarHBondContact N-OG 2.87Å; H480-S484 WeakPolarHBondContact O-CB 3.36Å; H480-S484 PolarHBondContact O-N 2.9Å; R482-S484 VanDerWaalsContact C-N 3.31Å; R482-S484 PolarHBondContact O-N 3.47Å; S484-S488 WeakPolarHBondContact O-CB 3.43Å; S484-S488 PolarHBondContact O-N 3.26Å; S484-S488 PolarHBondContact O-OG 2.89Å; S484-S488 VanDerWaalsContact O-OG 3.05Å
485	K	92.2	Very high	86.9	Confident	111 Å²	111	69 Å²	69	48%	0.483	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-45.6	-179.7	-76.1	165.2	-177.3	165.8	0	111.3	E481 R482 L487 S488 L489	E481-K485 VanDerWaalsContact O-CG 3.27Å; E481-K485 WeakPolarHBondContact O-CG 3.48Å; E481-K485 PolarHBondContact O-N 2.64Å; E481-K485 WeakPolarHBondContact OE1-CE 3.33Å; E481-K485 IonicContact OE1-NZ 3.4Å; E481-K485 PolarHBondContact OE1-NZ 3.36Å; R482-K485 PolarHBondContact O-N 3.02Å; R482-K485 VanDerWaalsContact O-N 3.08Å; K485-L487 PolarHBondContact O-N 3.33Å; K485-S488 PolarHBondContact O-N 3.41Å; K485-L489 PolarHBondContact O-N 2.93Å
486	M	92.8	Very high	88.2	Confident	38 Å²	38	66.8 Å²	66.8	19%	0.187	34%	0.335	C	S	.	.	H	α-helix	trans	-66	-37	-178.6	-66.7	-58.2	-172.9	0	0	112.9	V470 R482 L483 L489 Y497 R498	V470-M486 HydrophobicContact CG1-CB 3.43Å; V470-M486 VanDerWaalsContact CG1-CB 3.43Å; V470-M486 HydrophobicContact CG1-CG 4.02Å; R482-M486 HydrophobicContact CG-CG 4.38Å; R482-M486 WeakPolarHBondContact O-CG 3.37Å; R482-M486 PolarHBondContact O-N 2.71Å; L483-M486 PolarHBondContact O-N 3.11Å; M486-L489 WeakPolarHBondContact O-CG 3.43Å; M486-L489 PolarHBondContact O-N 3.29Å; M486-L489 HydrophobicContact SD-CD1 4.01Å; M486-Y497 HydrophobicContact SD-CG 4.5Å; M486-R498 PolarHBondContact O-NH1 3.38Å
487	L	94.1	Very high	89.3	Confident	17 Å²	17	72.3 Å²	72.3	9%	0.089	35%	0.349	C	S	.	.	H	α-helix	trans	-80.3	-14.8	176.6	-62.6	175.8	0	0	0	113.5	L64 V69 I72 L73 L101 L483 K485	L64-L487 HydrophobicContact CD1-CB 3.8Å; V69-L487 HydrophobicContact CB-CD1 4.43Å; V69-L487 HydrophobicContact CG1-CD1 3.91Å; V69-L487 HydrophobicContact CG2-CD1 4.37Å; I72-L487 HydrophobicContact CD1-CB 4.34Å; I72-L487 HydrophobicContact CG2-CD1 4.43Å; I72-L487 HydrophobicContact CG2-CD2 4.02Å; L73-L487 HydrophobicContact CD1-CD1 4.3Å; L73-L487 HydrophobicContact CD2-CD1 4.1Å; L73-L487 HydrophobicContact CD2-CD2 4.28Å; L73-L487 HydrophobicContact CG-CD1 3.91Å; L101-L487 HydrophobicContact CD1-CD2 3.73Å; L101-L487 HydrophobicContact CD2-CD2 3.89Å; L101-L487 HydrophobicContact CG-CD2 4.48Å; L483-L487 HydrophobicContact CD1-CD1 3.82Å; L483-L487 HydrophobicContact CD1-CG 4.26Å; L483-L487 HydrophobicContact CG-CD1 4.05Å; L483-L487 WeakPolarHBondContact O-CB 3.4Å; L483-L487 VanDerWaalsContact O-CG 3.3Å; L483-L487 WeakPolarHBondContact O-CG 3.38Å; L483-L487 PolarHBondContact O-N 2.87Å; L483-L487 VanDerWaalsContact O-N 3.09Å; K485-L487 PolarHBondContact O-N 3.33Å
488	S	94.1	Very high	90.3	Very high	43 Å²	43	70.5 Å²	70.5	30%	0.301	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.7	170.3	-73.5	0	0	0	0	114	Y62 L64 S484 K485 P490	Y62-S488 PolarHBondContact O-OG 3.34Å; L64-S488 WeakPolarHBondContact CD1-OG 3.38Å; L64-S488 WeakPolarHBondContact CG-OG 3.36Å; S484-S488 WeakPolarHBondContact O-CB 3.43Å; S484-S488 PolarHBondContact O-N 3.26Å; S484-S488 PolarHBondContact O-OG 2.89Å; S484-S488 VanDerWaalsContact O-OG 3.05Å; K485-S488 PolarHBondContact O-N 3.41Å; S488-P490 WeakPolarHBondContact O-CD 3.46Å
489	L	91.9	Very high	90.9	Very high	40 Å²	40	69.5 Å²	69.5	21%	0.209	33%	0.327	C	S	.	.			trans	-68.4	127.9	-178.5	-67.5	175	0	0	0	111.2	K485 M486 A494 Y497	K485-L489 PolarHBondContact O-N 2.93Å; M486-L489 WeakPolarHBondContact O-CG 3.43Å; M486-L489 PolarHBondContact O-N 3.29Å; M486-L489 HydrophobicContact SD-CD1 4.01Å; L489-A494 HydrophobicContact CB-CB 4.31Å; L489-Y497 HydrophobicContact CD1-CD2 3.58Å; L489-Y497 HydrophobicContact CD1-CE2 4.43Å; L489-Y497 HydrophobicContact CD1-CG 3.84Å; L489-Y497 HydrophobicContact CD2-CD2 4.25Å; L489-Y497 HydrophobicContact CD2-CE2 4.31Å
490	P	91	Very high	91.5	Very high	78 Å²	78	66.8 Å²	66.8	51%	0.506	31%	0.312	S	S	.	.			trans	-56.2	153.8	167	-23.8	33.5	0	0	0	112.2	S488 E492 L493 A494	S488-P490 WeakPolarHBondContact O-CD 3.46Å; P490-E492 VanDerWaalsContact C-N 3.3Å; P490-E492 PolarHBondContact O-N 2.86Å; P490-L493 HydrophobicContact CG-CD1 4.34Å; P490-L493 CarbonylContact O-C 3.35Å; P490-L493 PolarHBondContact O-N 2.95Å; P490-A494 PolarHBondContact O-N 2.96Å
491	E	88.3	Confident	92.1	Very high	143 Å²	143	64.6 Å²	64.6	67%	0.668	30%	0.303	S	S	*	.	H	α-helix	trans	-51.8	-46.1	-179.2	-63	171.5	174.9	0	0	112.2	A105 L493 A494	A105-E491 HydrophobicContact CB-CB 3.93Å; A105-E491 HydrophobicContact CB-CG 3.92Å; A105-E491 WeakPolarHBondContact CB-OE2 3.49Å; E491-L493 PolarHBondContact O-N 2.89Å; E491-L493 VanDerWaalsContact O-N 3.11Å; E491-A494 PolarHBondContact O-N 3.06Å
492	E	86.5	Confident	92.6	Very high	181 Å²	181	60 Å²	60	85%	0.846	28%	0.281	S	S	*	.	H	α-helix	trans	-58.7	-22.8	176.5	-61.3	179.3	175.6	0	0	114.7	P490	P490-E492 VanDerWaalsContact C-N 3.3Å; P490-E492 PolarHBondContact O-N 2.86Å
493	L	91	Very high	93.1	Very high	73 Å²	73	55.1 Å²	55.1	38%	0.382	26%	0.263	S	S	.	.	H	α-helix	trans	-108.1	-25	-177.8	-59.7	-179.4	0	0	0	112.7	P490 E491 R495 M496 Y497	P490-L493 HydrophobicContact CG-CD1 4.34Å; P490-L493 CarbonylContact O-C 3.35Å; P490-L493 PolarHBondContact O-N 2.95Å; E491-L493 PolarHBondContact O-N 2.89Å; E491-L493 VanDerWaalsContact O-N 3.11Å; L493-R495 VanDerWaalsContact C-N 3.31Å; L493-R495 PolarHBondContact O-N 3.13Å; L493-M496 HydrophobicContact CB-CE 4.43Å; L493-M496 HydrophobicContact CD2-CE 3.55Å; L493-M496 WeakPolarHBondContact O-CB 3.45Å; L493-M496 PolarHBondContact O-N 2.99Å; L493-Y497 WeakPolarHBondContact O-CD2 3.42Å
494	A	91.8	Very high	93.5	Very high	2 Å²	2	55.2 Å²	55.2	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-56.1	-44.6	-174.8	0	0	0	0	0	112.4	A103 L489 P490 E491 M496 Y497 R498	A103-A494 HydrophobicContact CB-CB 4.41Å; L489-A494 HydrophobicContact CB-CB 4.31Å; P490-A494 PolarHBondContact O-N 2.96Å; E491-A494 PolarHBondContact O-N 3.06Å; A494-M496 PolarHBondContact O-N 3.37Å; A494-M496 VanDerWaalsContact O-N 3.12Å; A494-Y497 PolarHBondContact O-N 3.34Å; A494-R498 PolarHBondContact O-N 2.76Å
495	R	91.8	Very high	93.8	Very high	109 Å²	109	55.3 Å²	55.3	41%	0.411	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.2	178	-167.8	54.7	166.8	120	-19.7	115.1	N104 L493 R498 D499	N104-R495 PolarHBondContact ND2-NE 2.82Å; N104-R495 WeakPolarHBondContact OD1-CD 3.47Å; N104-R495 WeakPolarHBondContact OD1-CG 2.97Å; N104-R495 PolarHBondContact OD1-NE 3.27Å; L493-R495 VanDerWaalsContact C-N 3.31Å; L493-R495 PolarHBondContact O-N 3.13Å; R495-R498 WeakPolarHBondContact CA-O 3.45Å; R495-D499 IonicContact CZ-OD1 3.29Å; R495-D499 IonicContact CZ-OD2 2.69Å; R495-D499 IonicContact NE-OD1 2.7Å; R495-D499 PolarHBondContact NE-OD1 2.81Å; R495-D499 IonicContact NH1-OD1 2.61Å; R495-D499 PolarHBondContact NH1-OD1 3.08Å; R495-D499 IonicContact NH1-OD2 3.51Å; R495-D499 PolarHBondContact NH1-OD2 2.99Å; R495-D499 IonicContact NH2-OD1 3.46Å; R495-D499 PolarHBondContact NH2-OD1 3.17Å; R495-D499 IonicContact NH2-OD2 2.69Å; R495-D499 PolarHBondContact NH2-OD2 3.31Å
496	M	90.9	Very high	94.1	Very high	129 Å²	129	50 Å²	50	64%	0.635	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.3	173.6	-55.7	-164.9	-51.4	0	0	114	L493 A494	L493-M496 HydrophobicContact CB-CE 4.43Å; L493-M496 HydrophobicContact CD2-CE 3.55Å; L493-M496 WeakPolarHBondContact O-CB 3.45Å; L493-M496 PolarHBondContact O-N 2.99Å; A494-M496 PolarHBondContact O-N 3.37Å; A494-M496 VanDerWaalsContact O-N 3.12Å
497	Y	91	Very high	94.3	Very high	140 Å²	140	50.9 Å²	50.9	55%	0.549	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-11.9	-175	-67	-84.6	0	0	0	114.2	M486 L489 L493 A494	M486-Y497 HydrophobicContact SD-CG 4.5Å; L489-Y497 HydrophobicContact CD1-CD2 3.58Å; L489-Y497 HydrophobicContact CD1-CE2 4.43Å; L489-Y497 HydrophobicContact CD1-CG 3.84Å; L489-Y497 HydrophobicContact CD2-CD2 4.25Å; L489-Y497 HydrophobicContact CD2-CE2 4.31Å; L493-Y497 WeakPolarHBondContact O-CD2 3.42Å; A494-Y497 PolarHBondContact O-N 3.34Å
498	R	93.3	Very high	94.5	Very high	36 Å²	36	50.1 Å²	50.1	14%	0.136	24%	0.24	C	C	.	.			trans	-157.9	163.7	173.5	55.1	158.7	-173.5	-75.1	5.8	109.8	P102 A103 M486 A494 R495	P102-R498 PolarHBondContact O-NE 3.08Å; P102-R498 PolarHBondContact O-NH2 2.76Å; A103-R498 HydrophobicContact CB-CG 3.84Å; A103-R498 WeakPolarHBondContact CB-O 3.45Å; M486-R498 PolarHBondContact O-NH1 3.38Å; A494-R498 PolarHBondContact O-N 2.76Å; R495-R498 WeakPolarHBondContact CA-O 3.45Å
499	D	96.1	Very high	94.6	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.091	23%	0.229	C	C	.	.			trans	-87.9	178.2	158.5	-137.4	-39.2	0	0	0	111.6	A103 R495	A103-D499 WeakPolarHBondContact CB-O 3.5Å; R495-D499 IonicContact CZ-OD1 3.29Å; R495-D499 IonicContact CZ-OD2 2.69Å; R495-D499 IonicContact NE-OD1 2.7Å; R495-D499 PolarHBondContact NE-OD1 2.81Å; R495-D499 IonicContact NH1-OD1 2.61Å; R495-D499 PolarHBondContact NH1-OD1 3.08Å; R495-D499 IonicContact NH1-OD2 3.51Å; R495-D499 PolarHBondContact NH1-OD2 2.99Å; R495-D499 IonicContact NH2-OD1 3.46Å; R495-D499 PolarHBondContact NH2-OD1 3.17Å; R495-D499 IonicContact NH2-OD2 2.69Å; R495-D499 PolarHBondContact NH2-OD2 3.31Å
500	D	98.3	Very high	94.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.223	C	C	.	.			trans	-56.6	142.2	158.8	-69.8	-23.6	0	0	0	109.2	P102 A103 N104 I107 E108 D109	P102-D500 WeakPolarHBondContact CA-OD1 3.4Å; A103-D500 PolarHBondContact N-OD1 3.28Å; N104-D500 PolarHBondContact N-OD1 3.44Å; N104-D500 PolarHBondContact ND2-OD1 3.04Å; N104-D500 PolarHBondContact ND2-OD2 2.99Å; I107-D500 HydrophobicContact CG1-CB 4.09Å; I107-D500 VanDerWaalsContact CG1-CG 3.45Å; I107-D500 WeakPolarHBondContact CG1-OD2 3.07Å; E108-D500 PolarHBondContact N-OD2 2.91Å; D109-D500 HydrophobicContact CB-CB 3.52Å; D109-D500 PolarHBondContact N-OD2 2.94Å
501	I	98.6	Very high	94.8	Very high	1 Å²	1	51 Å²	51	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	109	-179.1	-54.1	-178.5	0	0	0	109.4	Q100 L101 L403 M466 A469 V470 I503	Q100-I501 CarbonylContact C-O 3.5Å; Q100-I501 VanDerWaalsContact CA-O 3.3Å; Q100-I501 WeakPolarHBondContact CA-O 3.5Å; L101-I501 HydrophobicContact CB-CB 4.45Å; L101-I501 PolarHBondContact N-O 2.88Å; L101-I501 PolarHBondContact O-N 3.36Å; L403-I501 HydrophobicContact CB-CG2 4.37Å; M466-I501 HydrophobicContact CE-CG2 4.38Å; M466-I501 WeakPolarHBondContact CE-O 3.48Å; A469-I501 HydrophobicContact CB-CD1 4.37Å; V470-I501 HydrophobicContact CG2-CD1 4.01Å; I501-I503 HydrophobicContact CG2-CD1 4Å; I501-I503 HydrophobicContact CG2-CG1 4Å
502	T	98.9	Very high	95	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.8	174.3	-63.5	0	0	0	0	110.5	Q100 D109 R111 V126 G399 S400	Q100-T502 HydrophobicContact CG-CG2 3.91Å; Q100-T502 WeakPolarHBondContact CG-OG1 3.28Å; Q100-T502 PolarHBondContact NE2-OG1 3.42Å; D109-T502 WeakPolarHBondContact OD1-CB 3.38Å; D109-T502 PolarHBondContact OD1-OG1 2.68Å; D109-T502 WeakPolarHBondContact OD2-CB 3.46Å; D109-T502 PolarHBondContact OD2-N 2.76Å; D109-T502 VanDerWaalsContact OD2-N 3.12Å; D109-T502 PolarHBondContact OD2-OG1 3.45Å; R111-T502 HydrophobicContact CB-CG2 3.75Å; V126-T502 HydrophobicContact CB-CG2 4.44Å; V126-T502 HydrophobicContact CG1-CG2 3.72Å; V126-T502 HydrophobicContact CG2-CG2 3.96Å; G399-T502 WeakPolarHBondContact CA-O 3.38Å; S400-T502 PolarHBondContact N-O 3.14Å; S400-T502 WeakPolarHBondContact OG-CB 3.47Å; S400-T502 PolarHBondContact OG-N 2.8Å; S400-T502 PolarHBondContact OG-O 3.48Å
503	I	98.9	Very high	95.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.7	-174.3	-52	-177.3	0	0	0	109	S98 N99 V397 I398 L403 A462 L465 M466 I501 V505	S98-I503 WeakPolarHBondContact CA-O 3.31Å; S98-I503 WeakPolarHBondContact CB-O 3.43Å; N99-I503 PolarHBondContact N-O 2.85Å; N99-I503 VanDerWaalsContact N-O 3.13Å; N99-I503 PolarHBondContact O-N 3.48Å; N99-I503 VanDerWaalsContact O-N 3.1Å; V397-I503 HydrophobicContact CG1-CG2 4.29Å; I398-I503 WeakPolarHBondContact O-CA 3.35Å; L403-I503 HydrophobicContact CD1-CD1 4.02Å; L403-I503 HydrophobicContact CD2-CD1 4.23Å; L403-I503 HydrophobicContact CD2-CG1 4.16Å; A462-I503 HydrophobicContact CB-CB 4.02Å; A462-I503 HydrophobicContact CB-CG2 3.84Å; L465-I503 HydrophobicContact CB-CD1 4.23Å; L465-I503 HydrophobicContact CD2-CD1 4.06Å; L465-I503 HydrophobicContact CD2-CG2 3.98Å; L465-I503 HydrophobicContact CG-CD1 4.03Å; M466-I503 HydrophobicContact CB-CD1 4.03Å; I501-I503 HydrophobicContact CG2-CD1 4Å; I501-I503 HydrophobicContact CG2-CG1 4Å; I503-V505 HydrophobicContact CG2-CG2 4.02Å
504	I	98.9	Very high	95.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.8	164.2	-53.7	178.7	0	0	0	108.6	F96 E97 R111 L124 G125 V126 V397 I398	F96-I504 HydrophobicContact CB-CG2 4.36Å; F96-I504 HydrophobicContact CD2-CG2 4.11Å; E97-I504 CarbonylContact O-C 3.53Å; E97-I504 WeakPolarHBondContact O-CA 3.29Å; R111-I504 HydrophobicContact CB-CD1 4.18Å; R111-I504 HydrophobicContact CB-CG1 4.42Å; L124-I504 HydrophobicContact CB-CD1 4.42Å; L124-I504 HydrophobicContact CB-CG2 4.48Å; L124-I504 HydrophobicContact CD2-CG2 3.85Å; G125-I504 WeakPolarHBondContact O-CD1 3.38Å; V126-I504 HydrophobicContact CG2-CD1 3.9Å; V126-I504 HydrophobicContact CG2-CG1 3.91Å; V397-I504 CarbonylContact C-O 3.48Å; V397-I504 WeakPolarHBondContact CA-O 3.44Å; I398-I504 PolarHBondContact N-O 3.28Å; I398-I504 PolarHBondContact O-N 2.97Å
505	V	98.9	Very high	95.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.2	172.2	-176.7	0	0	0	0	108.6	F96 E97 F395 L396 V397 V416 S461 A462 I503	F96-V505 CarbonylContact C-O 3.22Å; F96-V505 WeakPolarHBondContact CA-O 3.39Å; F96-V505 WeakPolarHBondContact CB-O 3.34Å; E97-V505 PolarHBondContact N-O 2.88Å; E97-V505 PolarHBondContact O-N 3.12Å; F395-V505 HydrophobicContact CB-CG1 4.46Å; F395-V505 HydrophobicContact CD2-CG1 4.34Å; L396-V505 CarbonylContact O-C 3.59Å; L396-V505 WeakPolarHBondContact O-CA 3.43Å; V397-V505 HydrophobicContact CG2-CG2 4.33Å; V416-V505 HydrophobicContact CG1-CG1 3.66Å; V416-V505 HydrophobicContact CG2-CG2 4.45Å; S461-V505 WeakPolarHBondContact OG-CB 3.29Å; S461-V505 WeakPolarHBondContact OG-CG1 3.45Å; A462-V505 HydrophobicContact CB-CG2 4.31Å; I503-V505 HydrophobicContact CG2-CG2 4.02Å
506	T	98.8	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123	179.1	-50.8	0	0	0	0	109.6	V93 F96 L124 I262 F395 L396 F508	V93-T506 HydrophobicContact CG1-CG2 3.75Å; V93-T506 HydrophobicContact CG2-CG2 4.26Å; F96-T506 HydrophobicContact CB-CG2 4.31Å; L124-T506 HydrophobicContact CD1-CG2 4.41Å; L124-T506 HydrophobicContact CD2-CG2 4.49Å; I262-T506 HydrophobicContact CD1-CG2 4.12Å; F395-T506 CarbonylContact C-O 3.59Å; F395-T506 WeakPolarHBondContact CA-O 3.49Å; F395-T506 WeakPolarHBondContact CB-O 3.36Å; L396-T506 PolarHBondContact N-O 3.44Å; L396-T506 PolarHBondContact O-N 2.96Å; T506-F508 HydrophobicContact CG2-CE1 4.37Å
507	Q	98.3	Very high	94.1	Very high	57 Å²	57	32.1 Å²	32.1	27%	0.266	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.8	-179.7	-174.1	176.2	40.4	0	0	111.3	M94 G95	M94-Q507 HydrophobicContact CB-CB 4.39Å; M94-Q507 HydrophobicContact CB-CG 4.31Å; M94-Q507 PolarHBondContact N-O 2.94Å; M94-Q507 HydrophobicContact SD-CG 4.1Å; G95-Q507 PolarHBondContact O-N 2.9Å
508	F	97.8	Very high	93.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	151.8	-179.9	-63.7	-58.1	0	0	0	113.2	S92 V93 I262 L267 L279 L389 R394 L396 T506 P510 I513	S92-F508 CarbonylContact O-C 3.52Å; S92-F508 VanDerWaalsContact O-CA 3.3Å; S92-F508 WeakPolarHBondContact O-CA 3.32Å; V93-F508 HydrophobicContact CG2-CD1 4.23Å; V93-F508 HydrophobicContact CG2-CE1 4.22Å; I262-F508 HydrophobicContact CD1-CE1 3.96Å; I262-F508 HydrophobicContact CD1-CZ 4.38Å; I262-F508 HydrophobicContact CG1-CE1 4.47Å; L267-F508 HydrophobicContact CD2-CZ 4.37Å; L279-F508 HydrophobicContact CD1-CD2 4.4Å; L279-F508 HydrophobicContact CD1-CE2 3.67Å; L389-F508 HydrophobicContact CD1-CD1 3.86Å; L389-F508 HydrophobicContact CD1-CE1 3.69Å; L389-F508 HydrophobicContact CD1-CG 4.46Å; L389-F508 HydrophobicContact CD1-CZ 4.16Å; L389-F508 HydrophobicContact CD2-CD1 4.43Å; L389-F508 HydrophobicContact CD2-CD2 4.02Å; L389-F508 HydrophobicContact CD2-CE1 4.17Å; L389-F508 HydrophobicContact CD2-CE2 3.74Å; L389-F508 HydrophobicContact CD2-CG 4.37Å; L389-F508 HydrophobicContact CD2-CZ 3.83Å; R394-F508 PolarHBondContact O-N 3.45Å; L396-F508 HydrophobicContact CB-CE2 3.82Å; L396-F508 HydrophobicContact CB-CZ 3.86Å; T506-F508 HydrophobicContact CG2-CE1 4.37Å; F508-P510 WeakPolarHBondContact O-CD 3.23Å; F508-I513 HydrophobicContact CB-CD1 3.83Å; F508-I513 HydrophobicContact CG-CD1 4.39Å
509	N	95.4	Very high	92.4	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.064	18%	0.182	C	C	.	.			trans	-98.1	97.3	-179.8	-175.1	-10.6	0	0	0	109.9	N89 S91 S92 M94 H511 V512 I513	N89-N509 PolarHBondContact O-ND2 2.79Å; S91-N509 WeakPolarHBondContact O-CB 3.41Å; S91-N509 PolarHBondContact O-ND2 2.75Å; S92-N509 PolarHBondContact O-N 2.8Å; M94-N509 HydrophobicContact CG-CB 3.72Å; N509-H511 PolarHBondContact O-N 3.09Å; N509-H511 VanDerWaalsContact O-N 3.15Å; N509-H511 PolarHBondContact OD1-N 3.01Å; N509-V512 HydrophobicContact CB-CB 4.38Å; N509-V512 WeakPolarHBondContact ND2-CG2 3.47Å; N509-V512 PolarHBondContact O-N 3.09Å; N509-I513 WeakPolarHBondContact O-CD1 3.48Å; N509-I513 WeakPolarHBondContact O-CG1 3.47Å; N509-I513 PolarHBondContact O-N 3.4Å
510	P	94.1	Very high	91.1	Very high	14 Å²	14	39.6 Å²	39.6	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-22.5	-172.7	31.6	-40.5	0	0	0	112.8	P391 F508 G514	P391-P510 HydrophobicContact CB-CB 4.43Å; F508-P510 WeakPolarHBondContact O-CD 3.23Å; P510-G514 PolarHBondContact O-N 2.8Å
511	H	92.5	Very high	89.6	Confident	153 Å²	153	45.8 Å²	45.8	71%	0.708	23%	0.227	S	C	*	.	H	α-helix	trans	-77.8	-41.1	-178.1	-61	-65.4	0	0	0	111.8	N509 A515	N509-H511 PolarHBondContact O-N 3.09Å; N509-H511 VanDerWaalsContact O-N 3.15Å; N509-H511 PolarHBondContact OD1-N 3.01Å; H511-A515 WeakPolarHBondContact O-CB 3.38Å; H511-A515 PolarHBondContact O-N 2.96Å
512	V	92.9	Very high	87.5	Confident	22 Å²	22	49.6 Å²	49.6	13%	0.133	25%	0.254	C	S	.	.	H	α-helix	trans	-68.9	-46.6	174.4	172.4	0	0	0	0	110.5	N89 V90 N509 G514 A515 Q516	N89-V512 WeakPolarHBondContact O-CG2 3.18Å; V90-V512 WeakPolarHBondContact O-CG1 3.36Å; N509-V512 HydrophobicContact CB-CB 4.38Å; N509-V512 WeakPolarHBondContact ND2-CG2 3.47Å; N509-V512 PolarHBondContact O-N 3.09Å; V512-G514 VanDerWaalsContact C-N 3.28Å; V512-G514 PolarHBondContact O-N 3.03Å; V512-A515 PolarHBondContact O-N 2.8Å; V512-A515 VanDerWaalsContact O-N 3.1Å; V512-Q516 HydrophobicContact CG1-CG 4.24Å; V512-Q516 WeakPolarHBondContact O-CG 3.22Å; V512-Q516 PolarHBondContact O-N 2.79Å
513	I	93.6	Very high	85	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-40	177.6	-67.1	162.1	0	0	0	111	L389 F508 N509 R517	L389-I513 HydrophobicContact CB-CD1 4.04Å; L389-I513 HydrophobicContact CB-CG1 4.35Å; L389-I513 HydrophobicContact CB-CG2 4.07Å; L389-I513 HydrophobicContact CD1-CD1 4.2Å; L389-I513 WeakPolarHBondContact O-CG2 3.09Å; F508-I513 HydrophobicContact CB-CD1 3.83Å; F508-I513 HydrophobicContact CG-CD1 4.39Å; N509-I513 WeakPolarHBondContact O-CD1 3.48Å; N509-I513 WeakPolarHBondContact O-CG1 3.47Å; N509-I513 PolarHBondContact O-N 3.4Å; I513-R517 WeakPolarHBondContact O-CB 3.32Å; I513-R517 PolarHBondContact O-N 3.45Å
514	G	90.4	Very high	84.3	Confident	16 Å²	16	63.6 Å²	63.6	17%	0.165	32%	0.319	C	S	.	.	H	α-helix	trans	-68	-34	175.1	0	0	0	0	0	114.3	P510 V512 Q518	P510-G514 PolarHBondContact O-N 2.8Å; V512-G514 VanDerWaalsContact C-N 3.28Å; V512-G514 PolarHBondContact O-N 3.03Å; G514-Q518 WeakPolarHBondContact O-CG 2.99Å; G514-Q518 PolarHBondContact O-N 2.97Å
515	A	88.1	Confident	83.5	Confident	45 Å²	45	66.8 Å²	66.8	37%	0.372	34%	0.336	S	S	.	.	H	α-helix	trans	-73.6	-49.9	177.8	0	0	0	0	0	112	H511 V512 R517 Q518 E519	H511-A515 WeakPolarHBondContact O-CB 3.38Å; H511-A515 PolarHBondContact O-N 2.96Å; V512-A515 PolarHBondContact O-N 2.8Å; V512-A515 VanDerWaalsContact O-N 3.1Å; A515-R517 PolarHBondContact O-N 3.43Å; A515-Q518 WeakPolarHBondContact O-CB 3.44Å; A515-Q518 PolarHBondContact O-N 3.38Å; A515-E519 PolarHBondContact O-N 2.98Å; A515-E519 VanDerWaalsContact O-N 3.14Å
516	Q	83.4	Confident	82.6	Confident	49 Å²	49	70.4 Å²	70.4	23%	0.229	35%	0.354	C	S	.	.	H	α-helix	trans	-54.6	-42.9	179.1	-71.7	173.5	-40.8	0	0	111.4	V512 Q518 E519 D520	V512-Q516 HydrophobicContact CG1-CG 4.24Å; V512-Q516 WeakPolarHBondContact O-CG 3.22Å; V512-Q516 PolarHBondContact O-N 2.79Å; Q516-Q518 VanDerWaalsContact C-N 3.32Å; Q516-Q518 PolarHBondContact O-N 2.89Å; Q516-E519 WeakPolarHBondContact O-CB 3.42Å; Q516-E519 PolarHBondContact O-N 3.24Å; Q516-E519 VanDerWaalsContact O-N 3.17Å; Q516-D520 PolarHBondContact O-N 2.9Å
517	R	77.8	Confident	81.7	Confident	109 Å²	109	74.6 Å²	74.6	41%	0.411	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-31.3	176.7	-177.1	173.4	171.7	169.9	0.9	114	I513 A515 E519 E521	I513-R517 WeakPolarHBondContact O-CB 3.32Å; I513-R517 PolarHBondContact O-N 3.45Å; A515-R517 PolarHBondContact O-N 3.43Å; R517-E519 VanDerWaalsContact C-N 3.35Å; R517-E521 HydrophobicContact CG-CG 4.42Å; R517-E521 IonicContact CZ-OE1 3.56Å; R517-E521 IonicContact NE-OE1 2.7Å; R517-E521 PolarHBondContact NE-OE1 3.39Å; R517-E521 IonicContact NH2-OE1 2.73Å; R517-E521 PolarHBondContact NH2-OE1 2.68Å; R517-E521 WeakPolarHBondContact O-CB 3.33Å; R517-E521 WeakPolarHBondContact O-CG 3.43Å; R517-E521 PolarHBondContact O-N 3.07Å
518	Q	74.3	Confident	80.7	Confident	147 Å²	147	75.7 Å²	75.7	69%	0.687	38%	0.381	S	S	*	.	H	α-helix	trans	-74.3	-28.6	175.2	-73.1	177	3.2	0	0	112.2	G514 A515 Q516 S522	G514-Q518 WeakPolarHBondContact O-CG 2.99Å; G514-Q518 PolarHBondContact O-N 2.97Å; A515-Q518 WeakPolarHBondContact O-CB 3.44Å; A515-Q518 PolarHBondContact O-N 3.38Å; Q516-Q518 VanDerWaalsContact C-N 3.32Å; Q516-Q518 PolarHBondContact O-N 2.89Å; Q518-S522 WeakPolarHBondContact O-CB 3.47Å; Q518-S522 PolarHBondContact O-OG 3.1Å
519	E	74.8	Confident	79.5	Confident	125 Å²	125	80.7 Å²	80.7	58%	0.584	41%	0.407	S	S	*	.	H	α-helix	trans	-70.4	-47.1	171.1	-64	173.5	163.1	0	0	109.9	A515 Q516 R517 E521 S522	A515-E519 PolarHBondContact O-N 2.98Å; A515-E519 VanDerWaalsContact O-N 3.14Å; Q516-E519 WeakPolarHBondContact O-CB 3.42Å; Q516-E519 PolarHBondContact O-N 3.24Å; Q516-E519 VanDerWaalsContact O-N 3.17Å; R517-E519 VanDerWaalsContact C-N 3.35Å; E519-E521 PolarHBondContact O-N 3.47Å; E519-S522 PolarHBondContact O-N 2.81Å; E519-S522 VanDerWaalsContact O-N 3.13Å; E519-S522 PolarHBondContact O-OG 3.06Å
520	D	67.9	Low	78.4	Confident	78 Å²	78	85.6 Å²	85.6	42%	0.417	43%	0.431	S	S	.	.	H	α-helix	trans	-56.3	-46.6	174.3	-63.1	-47.5	0	0	0	112.7	R388 Q516 S522	R388-D520 IonicContact CZ-OD2 3.07Å; R388-D520 VanDerWaalsContact NH2-CG 3.27Å; R388-D520 IonicContact NH2-OD1 3.73Å; R388-D520 PolarHBondContact NH2-OD1 2.86Å; R388-D520 IonicContact NH2-OD2 3.01Å; R388-D520 PolarHBondContact NH2-OD2 2.99Å; Q516-D520 PolarHBondContact O-N 2.9Å; D520-S522 PolarHBondContact O-N 3.13Å
521	E	68.1	Low	77.2	Confident	131 Å²	131	91.2 Å²	91.2	61%	0.612	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	4	-179.1	-71.1	178.9	-176.5	0	0	113.4	R517 E519	R517-E521 HydrophobicContact CG-CG 4.42Å; R517-E521 IonicContact CZ-OE1 3.56Å; R517-E521 IonicContact NE-OE1 2.7Å; R517-E521 PolarHBondContact NE-OE1 3.39Å; R517-E521 IonicContact NH2-OE1 2.73Å; R517-E521 PolarHBondContact NH2-OE1 2.68Å; R517-E521 WeakPolarHBondContact O-CB 3.33Å; R517-E521 WeakPolarHBondContact O-CG 3.43Å; R517-E521 PolarHBondContact O-N 3.07Å; E519-E521 PolarHBondContact O-N 3.47Å
522	S	54.4	Low	75.9	Confident	81 Å²	81	86 Å²	86	57%	0.566	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	0.5	179.9	76.4	0	0	0	0	115.2	Q518 E519 D520	Q518-S522 WeakPolarHBondContact O-CB 3.47Å; Q518-S522 PolarHBondContact O-OG 3.1Å; E519-S522 PolarHBondContact O-N 2.81Å; E519-S522 VanDerWaalsContact O-N 3.13Å; E519-S522 PolarHBondContact O-OG 3.06Å; D520-S522 PolarHBondContact O-N 3.13Å
523	H	45.1	Very low	74.4	Confident	229 Å²	229	91.8 Å²	91.8	100%	1.06	46%	0.464	S	S	*	.			trans	-118	0	-176	-79.6	-48.4	0	0	0	113.8

Retrieved 523 of 523 residues in 140 ms (Link to these results)

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