A0A061ADU8_CAEEL Loading...

Dual specificity tyrosine-phosphorylation-regulated kinase mbk-2

Required for oocyte-to-zygote transition in which it phosphorylates oocyte proteins, including mei-1, oma-1, oma-2, mex-5, and mex-6, modifying their activity and/or stability following meiosis. Through phosphorylation of P granule components including meg-1, promotes the disassembly of zygotic P granules in the anterior cytoplasm during zygote polarization, and thus plays a role in P granule distribution and segregation in early stage embryos following meiosis. Functions in both spindle positioning and in the posterior localization of cytoplasmic determinants, including pie-1, pos-1, and pgl-1, in early embryos. Involved in the asymmetric distribution of plk-1 at the 2-cell embryonic stage.

AlphaFold DB , UniProt , Accession A0A061ADU8, Species CAEEL (Caenorhabditis elegans), Gene mbk-2, Length 490 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	31	Very low	230 Å²	230	143.5 Å²	143.5	100%	1.133	82%	0.822	S	S	*	*				0	94.2	0	-72.2	174.4	179.4	0	0	106.2
2	T	31.6	Very low	30.8	Very low	121 Å²	121	143.9 Å²	143.9	74%	0.742	82%	0.818	S	S	*	*				72.7	133.4	107.3	50.7	0	0	0	0	112.5
3	Q	29.2	Very low	30.4	Very low	172 Å²	172	141.3 Å²	141.3	80%	0.804	81%	0.814	S	S	*	*			cis	-170.3	136.5	-0.4	-102.3	173.5	5.4	0	0	103.9
4	S	28.7	Very low	30.2	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	81%	0.814	S	S	*	*				54.5	129	93.2	-175.1	0	0	0	0	117.3
5	I	32.8	Very low	29.9	Very low	174 Å²	174	137.1 Å²	137.1	89%	0.892	82%	0.817	S	S	*	*			trans	169.3	135.4	133	-78	149.6	0	0	0	105.6
6	G	27.3	Very low	29.9	Very low	70 Å²	70	140.7 Å²	140.7	72%	0.722	82%	0.822	S	S	*	*			cis	165.6	144.7	5.9	0	0	0	0	0	107.9
7	G	25.7	Very low	29.5	Very low	76 Å²	76	139.4 Å²	139.4	78%	0.784	82%	0.822	S	S	*	*			trans	-73.4	-159	-174.2	0	0	0	0	0	116.3
8	P	43.2	Very low	29.3	Very low	136 Å²	136	138.6 Å²	138.6	88%	0.883	82%	0.819	S	S	*	*				-147.2	165.5	70	36.3	-16	0	0	0	119.4
9	N	30.6	Very low	29	Very low	150 Å²	150	140.5 Å²	140.5	80%	0.802	82%	0.824	S	S	*	*			trans	-48.7	160.5	172.9	-76.7	-32.5	0	0	0	120.4
10	K	30.5	Very low	28.7	Very low	196 Å²	196	140.9 Å²	140.9	85%	0.852	82%	0.822	S	S	*	*				165.9	146.4	116.4	-89.4	-178	-177.3	-178.2	0	110
11	H	29.8	Very low	28.5	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.685	83%	0.825	S	S	*	*			cis	-176.5	145.4	-16	-130.5	-44.3	0	0	0	108.4
12	L	28.4	Very low	28.1	Very low	148 Å²	148	134.2 Å²	134.2	78%	0.775	81%	0.806	S	S	*	*			trans	65.5	146.5	147	-70.1	147.2	0	0	0	119.6
13	S	26.1	Very low	27.6	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	81%	0.807	S	S	*	*			cis	-157.8	156.8	24.3	52.8	0	0	0	0	112.8
14	A	27.3	Very low	27.4	Very low	99 Å²	99	131.2 Å²	131.2	82%	0.818	80%	0.804	S	S	*	*			trans	-92.5	160.5	173.5	0	0	0	0	0	113.2
15	S	26	Very low	27.4	Very low	121 Å²	121	134.6 Å²	134.6	85%	0.846	81%	0.808	S	S	*	*			trans	-161.4	117.6	144.7	56	0	0	0	0	112
16	H	29	Very low	27	Very low	194 Å²	194	133.4 Å²	133.4	90%	0.898	80%	0.803	S	S	*	*			trans	-84.3	148.5	160.6	-101.5	-77.8	0	0	0	109.8
17	S	24.5	Very low	27	Very low	119 Å²	119	137.3 Å²	137.3	83%	0.832	81%	0.805	S	S	*	*			trans	-143.9	116.6	154.3	61.3	0	0	0	0	111
18	T	25.3	Very low	26.9	Very low	125 Å²	125	142.3 Å²	142.3	77%	0.767	81%	0.81	S	S	*	*			trans	-74.3	150.4	165.2	31.8	0	0	0	0	112.1
19	L	24.2	Very low	26	Very low	174 Å²	174	143.9 Å²	143.9	91%	0.911	81%	0.805	S	S	*	*				-175.3	138.8	125.3	-97.9	156.2	0	0	0	112.9
20	N	23.2	Very low	25.7	Very low	148 Å²	148	142 Å²	142	79%	0.791	80%	0.804	S	S	*	*			trans	-65.4	157.5	175.3	-79.5	-30	0	0	0	113.7
21	T	24.3	Very low	25.4	Very low	142 Å²	142	141.8 Å²	141.8	87%	0.871	80%	0.803	S	S	*	*				-173.6	122.8	121.2	29.5	0	0	0	0	114.1
22	A	22	Very low	25.5	Very low	89 Å²	89	142.1 Å²	142.1	74%	0.736	81%	0.808	S	S	*	*			trans	21.2	137.3	141.7	0	0	0	0	0	125.3
23	S	22.6	Very low	25.4	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	81%	0.807	S	S	*	*			trans	67.4	137.9	148.4	83.5	0	0	0	0	117.1
24	T	24.4	Very low	25.5	Very low	121 Å²	121	145 Å²	145	74%	0.742	81%	0.812	S	S	*	*			cis	-150.3	149.4	41.8	38.8	0	0	0	0	111.9
25	H	29.1	Very low	25.6	Very low	177 Å²	177	144.9 Å²	144.9	82%	0.819	81%	0.805	S	S	*	*			trans	-55.8	129.4	160.6	-104	-97.5	0	0	0	110.1
26	D	24.2	Very low	25.6	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	80%	0.801	S	S	*	*			trans	-141	107.9	153.9	-111.8	-26.5	0	0	0	109.9	M28	D26-M28 PolarHBondContact O-N 3.21Å
27	M	25.9	Very low	25.7	Very low	153 Å²	153	140.7 Å²	140.7	75%	0.754	80%	0.795	S	S	*	*			trans	-76.1	95.8	173.3	-70.7	176.6	88.2	0	0	108.7	H29	M27-H29 PolarHBondContact O-N 3.35Å
28	M	23.7	Very low	26	Very low	180 Å²	180	141.1 Å²	141.1	89%	0.887	79%	0.788	S	S	*	*			trans	-80.1	99.7	163.2	-79.3	-166.3	175.6	0	0	109.7	D26 S30	D26-M28 PolarHBondContact O-N 3.21Å; M28-S30 PolarHBondContact O-N 3.24Å
29	H	25.6	Very low	26.3	Very low	169 Å²	169	143.9 Å²	143.9	78%	0.782	79%	0.792	S	S	*	*			trans	-56.8	95.7	161.2	-87.6	-72.1	0	0	0	110	M27 K31	M27-H29 PolarHBondContact O-N 3.35Å; H29-K31 PolarHBondContact O-N 2.92Å; H29-K31 VanDerWaalsContact O-N 3.11Å
30	S	23.8	Very low	26.5	Very low	112 Å²	112	140.9 Å²	140.9	78%	0.783	79%	0.786	S	S	*	*			trans	-74.2	101.5	167.4	115.9	0	0	0	0	108	M28 I32	M28-S30 PolarHBondContact O-N 3.24Å; S30-I32 PolarHBondContact O-N 3Å
31	K	24.7	Very low	26.7	Very low	191 Å²	191	141.3 Å²	141.3	83%	0.83	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-57.5	125.3	168.3	-73.8	175.5	176.9	173.7	0	108.8	H29	H29-K31 PolarHBondContact O-N 2.92Å; H29-K31 VanDerWaalsContact O-N 3.11Å
32	I	30.5	Very low	26.9	Very low	154 Å²	154	140.2 Å²	140.2	79%	0.79	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-54.3	127.7	166.7	-61.1	167.9	0	0	0	107.5	S30 K34	S30-I32 PolarHBondContact O-N 3Å; I32-K34 PolarHBondContact O-N 3.16Å
33	P	26.3	Very low	27.4	Very low	116 Å²	116	146.7 Å²	146.7	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-64.9	126.7	176.5	-15.1	27.8	0	0	0	109.5	S35	P33-S35 PolarHBondContact O-N 3.4Å
34	K	28.1	Very low	27.6	Very low	203 Å²	203	146.6 Å²	146.6	88%	0.883	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-54.6	125.4	164.5	-70.8	-179.6	175.6	-177.6	0	107.9	I32	I32-K34 PolarHBondContact O-N 3.16Å
35	S	30	Very low	27.9	Very low	97 Å²	97	149.5 Å²	149.5	68%	0.678	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-55	132.6	168	46.2	0	0	0	0	109.2	P33 S37	P33-S35 PolarHBondContact O-N 3.4Å; S35-S37 PolarHBondContact O-N 3.28Å
36	P	26.9	Very low	27.8	Very low	115 Å²	115	147.6 Å²	147.6	75%	0.747	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-59.9	129.2	174.3	-15.6	27.5	0	0	0	109.2	N38	P36-N38 PolarHBondContact O-N 2.98Å
37	S	30.9	Very low	28.1	Very low	112 Å²	112	145.9 Å²	145.9	78%	0.783	80%	0.795	S	S	*	*			trans	-60.9	104.5	165.4	47	0	0	0	0	108.8	S35 E39	S35-S37 PolarHBondContact O-N 3.28Å; S37-E39 VanDerWaalsContact C-N 3.29Å; S37-E39 PolarHBondContact O-N 3.25Å
38	N	30.4	Very low	28.2	Very low	127 Å²	127	144.1 Å²	144.1	68%	0.679	80%	0.798	S	S	*	*			trans	-73.6	87.6	165.2	-89.2	-8.5	0	0	0	108.4	P36 S40	P36-N38 PolarHBondContact O-N 2.98Å; N38-S40 VanDerWaalsContact C-N 3.26Å; N38-S40 PolarHBondContact O-N 2.95Å; N38-S40 VanDerWaalsContact O-N 3.08Å
39	E	31.8	Very low	28.5	Very low	184 Å²	184	141.5 Å²	141.5	86%	0.86	80%	0.798	S	S	*	*			trans	-68	93.3	150.5	-81.7	-165.2	156.6	0	0	107.7	S37 L41	S37-E39 VanDerWaalsContact C-N 3.29Å; S37-E39 PolarHBondContact O-N 3.25Å; E39-L41 PolarHBondContact O-N 3.41Å; E39-L41 VanDerWaalsContact O-N 3.15Å
40	S	28.4	Very low	28.5	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	80%	0.799	S	S	*	*			trans	-72.3	103.1	164.2	55.3	0	0	0	0	108.8	N38 S42	N38-S40 VanDerWaalsContact C-N 3.26Å; N38-S40 PolarHBondContact O-N 2.95Å; N38-S40 VanDerWaalsContact O-N 3.08Å; S40-S42 PolarHBondContact O-N 3.33Å
41	L	27.9	Very low	28.6	Very low	157 Å²	157	135.4 Å²	135.4	82%	0.822	80%	0.798	S	S	*	*			trans	-6.8	100.1	156.1	-71.5	150.1	0	0	0	115.1	E39 R43	E39-L41 PolarHBondContact O-N 3.41Å; E39-L41 VanDerWaalsContact O-N 3.15Å; L41-R43 PolarHBondContact O-N 2.99Å
42	S	28.6	Very low	28.8	Very low	119 Å²	119	132.3 Å²	132.3	83%	0.832	80%	0.8	S	S	*	*			trans	-72.7	105.7	156.1	53.4	0	0	0	0	108.5	S40 S44	S40-S42 PolarHBondContact O-N 3.33Å; S42-S44 PolarHBondContact O-N 2.92Å
43	R	30.6	Very low	29	Very low	226 Å²	226	134.7 Å²	134.7	85%	0.853	81%	0.808	S	S	*	*			trans	-71.8	122.6	171	-78.6	-177.2	178.4	-178.3	-1.1	109.8	L41 H45	L41-R43 PolarHBondContact O-N 2.99Å; R43-H45 PolarHBondContact O-N 2.96Å
44	S	28.5	Very low	29	Very low	107 Å²	107	132.4 Å²	132.4	75%	0.748	81%	0.806	S	S	*	*			trans	-63.2	119.3	168.1	49.9	0	0	0	0	110.7	S42	S42-S44 PolarHBondContact O-N 2.92Å
45	H	29.1	Very low	29.4	Very low	183 Å²	183	126.7 Å²	126.7	85%	0.847	81%	0.805	S	S	*	*			trans	-82.2	111.4	160.4	-78.3	-73	0	0	0	108.5	R43	R43-H45 PolarHBondContact O-N 2.96Å
46	T	27.7	Very low	29.4	Very low	136 Å²	136	130.9 Å²	130.9	83%	0.834	81%	0.813	S	S	*	*			trans	-82.2	113.6	163	49	0	0	0	0	108.4
47	S	29.8	Very low	29.8	Very low	112 Å²	112	132.9 Å²	132.9	78%	0.783	82%	0.817	S	S	*	*			trans	-128	129.3	161.3	57.4	0	0	0	0	109.4
48	S	28	Very low	29.9	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	82%	0.816	S	S	*	*			trans	-56	149.6	-177.5	47.1	0	0	0	0	114.7
49	S	29.9	Very low	30.2	Very low	126 Å²	126	133.6 Å²	133.6	88%	0.881	82%	0.821	S	S	*	*			trans	-47.4	135.7	171.9	47.8	0	0	0	0	115.8
50	G	26.9	Very low	30.8	Very low	78 Å²	78	130.2 Å²	130.2	80%	0.804	82%	0.818	S	S	*	*			trans	-174.8	109	161.8	0	0	0	0	0	109.2
51	G	26.6	Very low	31.5	Very low	74 Å²	74	127.8 Å²	127.8	76%	0.763	81%	0.81	S	S	*	*			trans	-74.9	151.9	-174.1	0	0	0	0	0	114
52	S	27.8	Very low	33.1	Very low	127 Å²	127	124.4 Å²	124.4	89%	0.888	80%	0.8	S	S	*	*			trans	177.6	140.4	133.9	-77.5	0	0	0	0	109.9
53	Q	34.5	Very low	35.5	Very low	203 Å²	203	121.7 Å²	121.7	95%	0.949	78%	0.776	S	S	*	*			trans	-59.9	140.1	-180	-67.2	179.7	-7.3	0	0	112.3
54	G	27.2	Very low	38.3	Very low	69 Å²	69	115.2 Å²	115.2	71%	0.711	77%	0.765	S	S	*	*			trans	179.1	96.6	171.3	0	0	0	0	0	110.4	H56	G54-H56 PolarHBondContact O-N 3Å
55	G	36	Very low	41.4	Very low	83 Å²	83	110.5 Å²	110.5	86%	0.856	73%	0.733	S	S	*	*			trans	-66.3	115.7	179.3	0	0	0	0	0	111.8
56	H	30.3	Very low	44.7	Very low	184 Å²	184	105.8 Å²	105.8	85%	0.852	71%	0.71	S	S	*	*			trans	-129.1	109.4	158.3	-91.5	-53.2	0	0	0	109.7	G54 S58	G54-H56 PolarHBondContact O-N 3Å; H56-S58 PolarHBondContact O-N 3.17Å
57	N	34	Very low	48	Very low	157 Å²	157	105.6 Å²	105.6	84%	0.84	70%	0.695	S	S	*	*			trans	-71.6	100.2	178.9	-150.7	8.6	0	0	0	109
58	S	33.5	Very low	51.2	Low	109 Å²	109	100.8 Å²	100.8	76%	0.762	66%	0.66	S	S	*	*			trans	-109.6	77.7	170.5	51.7	0	0	0	0	109.4	H56 S60	H56-S58 PolarHBondContact O-N 3.17Å; S58-S60 PolarHBondContact O-N 3.38Å
59	N	37.1	Very low	54.5	Low	145 Å²	145	99 Å²	99	78%	0.775	64%	0.64	S	S	*	*			trans	-79.6	86.4	179.4	-148.4	15.3	0	0	0	109.7	G61	N59-G61 PolarHBondContact O-N 3.14Å
60	S	43.9	Very low	57.7	Low	113 Å²	113	96 Å²	96	79%	0.79	61%	0.613	S	S	*	*			trans	-90.6	81.1	163.5	56.8	0	0	0	0	108.6	S58 S62	S58-S60 PolarHBondContact O-N 3.38Å; S60-S62 PolarHBondContact O-N 3.16Å
61	G	44.6	Very low	61.1	Low	59 Å²	59	92.2 Å²	92.2	61%	0.608	58%	0.575	S	S	*	*			trans	-68.9	99.5	-176	0	0	0	0	0	112	N59 N63	N59-G61 PolarHBondContact O-N 3.14Å; G61-N63 PolarHBondContact O-N 3.43Å
62	S	59.9	Low	64.4	Low	86 Å²	86	90.3 Å²	90.3	60%	0.601	55%	0.548	S	S	*	.			trans	-67.3	122.5	164.9	63	0	0	0	0	109.2	S60 S64	S60-S62 PolarHBondContact O-N 3.16Å; S62-S64 PolarHBondContact O-N 2.66Å
63	N	80.1	Confident	67.7	Low	63 Å²	63	92.1 Å²	92.1	34%	0.337	54%	0.543	S	S	.	.			trans	-61.3	123.6	171.4	-179.7	-2.2	0	0	0	108.5	G61 G65 F94 H154 K155	G61-N63 PolarHBondContact O-N 3.43Å; N63-G65 VanDerWaalsContact C-N 3.27Å; N63-G65 PolarHBondContact O-N 3.1Å; N63-G65 PolarHBondContact OD1-N 3.41Å; N63-G65 VanDerWaalsContact OD1-N 3.15Å; N63-F94 VanDerWaalsContact O-CE1 3.28Å; N63-F94 WeakPolarHBondContact O-CE1 3.45Å; N63-H154 PolarHBondContact ND2-O 3.19Å; N63-K155 PolarHBondContact N-O 3.27Å
64	S	89.1	Confident	70.7	Confident	89 Å²	89	86.4 Å²	86.4	62%	0.622	52%	0.522	S	S	*	.			trans	-74.7	-15.6	-174.8	55.6	0	0	0	0	113.8	S62 R92	S62-S64 PolarHBondContact O-N 2.66Å; S64-R92 WeakPolarHBondContact O-CD 3.37Å; S64-R92 PolarHBondContact O-NH1 2.7Å
65	G	94.3	Very high	74	Confident	8 Å²	8	85.7 Å²	85.7	8%	0.082	50%	0.499	C	S	.	.			trans	66.3	154.3	-179.8	0	0	0	0	0	113.9	N63 R92 V93	N63-G65 VanDerWaalsContact C-N 3.27Å; N63-G65 PolarHBondContact O-N 3.1Å; N63-G65 PolarHBondContact OD1-N 3.41Å; N63-G65 VanDerWaalsContact OD1-N 3.15Å; G65-R92 PolarHBondContact O-NH1 2.76Å; G65-V93 CarbonylContact C-O 3.34Å; G65-V93 WeakPolarHBondContact CA-O 3.35Å
66	F	97.1	Very high	76.8	Confident	84 Å²	84	82.3 Å²	82.3	37%	0.368	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-76.4	151	175.7	-67.2	-89.9	0	0	0	111.2	D70 A71 F75 R92 V93	F66-D70 HydrophobicContact CB-CB 4.45Å; F66-D70 HydrophobicContact CD1-CB 4.11Å; F66-A71 HydrophobicContact CB-CB 3.93Å; F66-F75 HydrophobicContact CD2-CE2 4.05Å; F66-F75 AromaticContact CE2-CE2 3.91Å; F66-F75 HydrophobicContact CE2-CE2 3.91Å; F66-F75 HydrophobicContact CE2-CZ 4.1Å; F66-F75 HydrophobicContact CZ-CE2 4.25Å; F66-F75 HydrophobicContact CZ-CZ 4.3Å; F66-R92 WeakPolarHBondContact O-CA 2.95Å; F66-V93 HydrophobicContact CB-CB 4.38Å; F66-V93 PolarHBondContact N-O 3.49Å; F66-V93 PolarHBondContact O-N 2.97Å
67	R	97.6	Very high	79.9	Confident	133 Å²	133	78.4 Å²	78.4	50%	0.502	46%	0.464	S	S	.	.			trans	-69.3	154.8	159.3	-60.8	177.2	57.2	-158.4	-10.3	109	E69 D70 A71	R67-E69 VanDerWaalsContact C-N 3.25Å; R67-E69 IonicContact CZ-OE2 3.65Å; R67-E69 IonicContact NE-OE2 3.69Å; R67-E69 PolarHBondContact NE-OE2 2.94Å; R67-E69 IonicContact NH2-OE2 2.77Å; R67-E69 PolarHBondContact NH2-OE2 2.94Å; R67-E69 PolarHBondContact O-N 3.4Å; R67-D70 WeakPolarHBondContact CB-OD2 3.4Å; R67-D70 PolarHBondContact O-N 3.36Å; R67-A71 WeakPolarHBondContact O-CB 3.42Å; R67-A71 PolarHBondContact O-N 3.03Å
68	P	97.3	Very high	82.9	Confident	10 Å²	10	76.6 Å²	76.6	7%	0.065	45%	0.449	C	S	.	.	H	α-helix	trans	-55.4	-40.3	178.8	-29.5	38.9	0	0	0	113.3	A71 V72 Y88 Y90	P68-A71 PolarHBondContact O-N 2.83Å; P68-V72 WeakPolarHBondContact O-CG2 3.39Å; P68-V72 PolarHBondContact O-N 2.77Å; P68-Y88 HydrophobicContact CB-CD1 3.64Å; P68-Y88 HydrophobicContact CB-CE1 4Å; P68-Y88 HydrophobicContact CB-CG 4.37Å; P68-Y90 WeakPolarHBondContact CG-O 3.34Å
69	E	97.3	Very high	85.9	Confident	80 Å²	80	72 Å²	72	37%	0.374	42%	0.415	S	S	.	.	H	α-helix	trans	-60.2	-49.7	178.1	-60.8	76.2	-147.6	0	0	111.4	R67 A71 V72 Q73 Y88	R67-E69 VanDerWaalsContact C-N 3.25Å; R67-E69 IonicContact CZ-OE2 3.65Å; R67-E69 IonicContact NE-OE2 3.69Å; R67-E69 PolarHBondContact NE-OE2 2.94Å; R67-E69 IonicContact NH2-OE2 2.77Å; R67-E69 PolarHBondContact NH2-OE2 2.94Å; R67-E69 PolarHBondContact O-N 3.4Å; E69-A71 VanDerWaalsContact C-N 3.32Å; E69-A71 PolarHBondContact O-N 3.11Å; E69-V72 PolarHBondContact O-N 3.36Å; E69-Q73 WeakPolarHBondContact O-CB 3.07Å; E69-Q73 PolarHBondContact O-N 3.28Å; E69-Y88 HydrophobicContact CG-CE1 4.22Å
70	D	97.2	Very high	88.7	Confident	61 Å²	61	66.1 Å²	66.1	33%	0.326	39%	0.385	S	S	.	.	H	α-helix	trans	-65.2	-37.4	179.9	-53.4	-33.5	0	0	0	111.2	F66 R67 Q73 T74	F66-D70 HydrophobicContact CB-CB 4.45Å; F66-D70 HydrophobicContact CD1-CB 4.11Å; R67-D70 WeakPolarHBondContact CB-OD2 3.4Å; R67-D70 PolarHBondContact O-N 3.36Å; D70-Q73 PolarHBondContact O-N 3Å; D70-T74 VanDerWaalsContact O-CB 3.25Å; D70-T74 WeakPolarHBondContact O-CB 3.16Å; D70-T74 PolarHBondContact O-N 3.45Å; D70-T74 PolarHBondContact O-OG1 2.77Å
71	A	97.3	Very high	91.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.7	-41.5	177.1	0	0	0	0	0	111.9	F66 R67 P68 E69 T74 F75 I87 V93	F66-A71 HydrophobicContact CB-CB 3.93Å; R67-A71 WeakPolarHBondContact O-CB 3.42Å; R67-A71 PolarHBondContact O-N 3.03Å; P68-A71 PolarHBondContact O-N 2.83Å; E69-A71 VanDerWaalsContact C-N 3.32Å; E69-A71 PolarHBondContact O-N 3.11Å; A71-T74 PolarHBondContact O-N 3.36Å; A71-F75 HydrophobicContact CB-CD2 4.38Å; A71-F75 WeakPolarHBondContact O-CA 3.44Å; A71-F75 WeakPolarHBondContact O-CB 3.06Å; A71-F75 WeakPolarHBondContact O-CD2 3.5Å; A71-F75 PolarHBondContact O-N 3.07Å; A71-I87 HydrophobicContact CB-CD1 3.89Å; A71-V93 HydrophobicContact CB-CB 3.85Å; A71-V93 HydrophobicContact CB-CG1 3.77Å; A71-V93 HydrophobicContact CB-CG2 3.98Å
72	V	97.2	Very high	93.5	Very high	34 Å²	34	64.3 Å²	64.3	21%	0.206	36%	0.356	C	S	.	.	H	α-helix	trans	-66.7	-40	174.7	172.4	0	0	0	0	110.8	P68 E69 G76 L79 I87 Y88	P68-V72 WeakPolarHBondContact O-CG2 3.39Å; P68-V72 PolarHBondContact O-N 2.77Å; E69-V72 PolarHBondContact O-N 3.36Å; V72-G76 WeakPolarHBondContact O-CA 3.19Å; V72-G76 PolarHBondContact O-N 3.37Å; V72-L79 HydrophobicContact CG2-CD1 4.22Å; V72-I87 HydrophobicContact CG2-CD1 4.19Å; V72-I87 HydrophobicContact CG2-CG2 3.54Å; V72-Y88 HydrophobicContact CG2-CE2 4.23Å
73	Q	96.9	Very high	95.3	Very high	165 Å²	165	60.2 Å²	60.2	77%	0.771	33%	0.327	S	S	*	.	H	α-helix	trans	-63.4	-43	175.9	-174	176.7	4.7	0	0	111.8	E69 D70	E69-Q73 WeakPolarHBondContact O-CB 3.07Å; E69-Q73 PolarHBondContact O-N 3.28Å; D70-Q73 PolarHBondContact O-N 3Å
74	T	96.5	Very high	95.9	Very high	83 Å²	83	61.6 Å²	61.6	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-78.2	-42.3	-175.6	-54.1	0	0	0	0	112.3	D70 A71	D70-T74 VanDerWaalsContact O-CB 3.25Å; D70-T74 WeakPolarHBondContact O-CB 3.16Å; D70-T74 PolarHBondContact O-N 3.45Å; D70-T74 PolarHBondContact O-OG1 2.77Å; A71-T74 PolarHBondContact O-N 3.36Å
75	F	96.6	Very high	96.2	Very high	53 Å²	53	62.3 Å²	62.3	23%	0.232	33%	0.327	C	S	.	.	H	α-helix	trans	-115.8	4.5	-169.6	-53	-69.1	0	0	0	113.9	F66 A71 A77 K78 L79 V96	F66-F75 HydrophobicContact CD2-CE2 4.05Å; F66-F75 AromaticContact CE2-CE2 3.91Å; F66-F75 HydrophobicContact CE2-CE2 3.91Å; F66-F75 HydrophobicContact CE2-CZ 4.1Å; F66-F75 HydrophobicContact CZ-CE2 4.25Å; F66-F75 HydrophobicContact CZ-CZ 4.3Å; A71-F75 HydrophobicContact CB-CD2 4.38Å; A71-F75 WeakPolarHBondContact O-CA 3.44Å; A71-F75 WeakPolarHBondContact O-CB 3.06Å; A71-F75 WeakPolarHBondContact O-CD2 3.5Å; A71-F75 PolarHBondContact O-N 3.07Å; F75-A77 PolarHBondContact O-N 2.97Å; F75-K78 WeakPolarHBondContact O-CA 3.4Å; F75-K78 WeakPolarHBondContact O-CB 3.41Å; F75-K78 PolarHBondContact O-N 3.04Å; F75-L79 PolarHBondContact O-N 3.24Å; F75-V96 HydrophobicContact CB-CG2 3.95Å; F75-V96 HydrophobicContact CD1-CG2 4.09Å; F75-V96 HydrophobicContact CD2-CG1 4.11Å; F75-V96 HydrophobicContact CD2-CG2 4.16Å; F75-V96 HydrophobicContact CG-CG1 4.45Å; F75-V96 HydrophobicContact CG-CG2 3.8Å
76	G	94.7	Very high	96.3	Very high	13 Å²	13	62.7 Å²	62.7	13%	0.134	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.8	-171.5	0	0	0	0	0	115.5	V72 K78 K84	V72-G76 WeakPolarHBondContact O-CA 3.19Å; V72-G76 PolarHBondContact O-N 3.37Å; G76-K78 PolarHBondContact O-N 3.22Å; G76-K84 WeakPolarHBondContact O-CE 3.41Å; G76-K84 PolarHBondContact O-NZ 2.91Å
77	A	95.9	Very high	96.3	Very high	101 Å²	101	58.7 Å²	58.7	84%	0.835	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.8	173.2	0	0	0	0	0	113.8	F75	F75-A77 PolarHBondContact O-N 2.97Å
78	K	96.5	Very high	96.3	Very high	119 Å²	119	57.9 Å²	57.9	52%	0.517	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-7.1	179.9	-56.1	-61	-176.1	-177.3	0	113.2	F75 G76	F75-K78 WeakPolarHBondContact O-CA 3.4Å; F75-K78 WeakPolarHBondContact O-CB 3.41Å; F75-K78 PolarHBondContact O-N 3.04Å; G76-K78 PolarHBondContact O-N 3.22Å
79	L	96.5	Very high	96.3	Very high	12 Å²	12	63.5 Å²	63.5	6%	0.063	34%	0.336	C	S	.	.	S	Bend	trans	-90.2	138.3	178	-60.7	-179.5	0	0	0	111.1	V72 F75 E83 K84 I87 V96	V72-L79 HydrophobicContact CG2-CD1 4.22Å; F75-L79 PolarHBondContact O-N 3.24Å; L79-E83 WeakPolarHBondContact CA-OE2 3.24Å; L79-E83 HydrophobicContact CB-CB 4.11Å; L79-E83 HydrophobicContact CD2-CB 4.29Å; L79-K84 HydrophobicContact CB-CG 4.02Å; L79-I87 HydrophobicContact CD1-CD1 3.93Å; L79-V96 HydrophobicContact CD2-CB 3.98Å; L79-V96 HydrophobicContact CD2-CG1 4.25Å
80	V	95.8	Very high	96.3	Very high	22 Å²	22	61.9 Å²	61.9	13%	0.133	33%	0.327	C	S	.	.			trans	-74.4	159	170.6	-62.1	0	0	0	0	111	F82 E83 K84 K102	V80-F82 HydrophobicContact CG2-CB 4.32Å; V80-F82 PolarHBondContact O-N 3.04Å; V80-F82 VanDerWaalsContact O-N 3.14Å; V80-E83 HydrophobicContact CG2-CB 4.1Å; V80-E83 HydrophobicContact CG2-CG 3.61Å; V80-E83 PolarHBondContact N-OE2 3.22Å; V80-E83 WeakPolarHBondContact O-CB 3.46Å; V80-E83 PolarHBondContact O-N 2.96Å; V80-K84 PolarHBondContact O-N 3.27Å; V80-K102 HydrophobicContact CG1-CB 3.73Å; V80-K102 HydrophobicContact CG1-CD 4.1Å
81	P	94.4	Very high	96.2	Very high	95 Å²	95	65.1 Å²	65.1	62%	0.617	35%	0.349	S	S	*	.	H	α-helix	trans	-53.2	-37.2	-177.8	-29.4	36.4	0	0	0	114.5	K84 N85	P81-K84 PolarHBondContact O-N 2.84Å; P81-N85 PolarHBondContact O-ND2 2.94Å
82	F	95.3	Very high	96.2	Very high	39 Å²	39	70.6 Å²	70.6	17%	0.171	37%	0.37	C	S	.	.	H	α-helix	trans	-59.9	-46.7	174.9	-173.1	-89.6	0	0	0	112.1	V80 K84 N85 E86 I107 Y115 R206	V80-F82 HydrophobicContact CG2-CB 4.32Å; V80-F82 PolarHBondContact O-N 3.04Å; V80-F82 VanDerWaalsContact O-N 3.14Å; F82-K84 VanDerWaalsContact C-N 3.31Å; F82-K84 PolarHBondContact O-N 3.26Å; F82-N85 PolarHBondContact O-N 2.8Å; F82-N85 VanDerWaalsContact O-N 3.17Å; F82-E86 HydrophobicContact CD1-CB 4.18Å; F82-E86 HydrophobicContact CE1-CB 4.03Å; F82-E86 HydrophobicContact CE1-CG 4.22Å; F82-E86 PolarHBondContact O-N 3.49Å; F82-I107 HydrophobicContact CD2-CD1 4.49Å; F82-I107 HydrophobicContact CD2-CG1 3.68Å; F82-I107 HydrophobicContact CE2-CG1 3.62Å; F82-Y115 AromaticContact CD1-CE2 3.82Å; F82-Y115 HydrophobicContact CD1-CE2 3.82Å; F82-Y115 AromaticContact CD1-CZ 3.91Å; F82-Y115 VanDerWaalsContact CD1-OH 3.24Å; F82-Y115 WeakPolarHBondContact CD1-OH 3.37Å; F82-Y115 HydrophobicContact CD2-CE2 4.14Å; F82-Y115 AromaticContact CE1-CE2 3.73Å; F82-Y115 HydrophobicContact CE1-CE2 3.73Å; F82-Y115 HydrophobicContact CE2-CE2 4.06Å; F82-Y115 HydrophobicContact CG-CE2 4.03Å; F82-Y115 WeakPolarHBondContact CG-OH 3.34Å; F82-Y115 AromaticContact CZ-CE2 3.86Å; F82-Y115 HydrophobicContact CZ-CE2 3.86Å; F82-R206 HydrophobicContact CE1-CG 4.29Å
83	E	96.9	Very high	96.3	Very high	1 Å²	1	69 Å²	69	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-33.2	-178.4	-72.9	171.5	163.3	0	0	112.6	L79 V80 N85 E86 I87 K102 H129 Y132 R206	L79-E83 WeakPolarHBondContact CA-OE2 3.24Å; L79-E83 HydrophobicContact CB-CB 4.11Å; L79-E83 HydrophobicContact CD2-CB 4.29Å; V80-E83 HydrophobicContact CG2-CB 4.1Å; V80-E83 HydrophobicContact CG2-CG 3.61Å; V80-E83 PolarHBondContact N-OE2 3.22Å; V80-E83 WeakPolarHBondContact O-CB 3.46Å; V80-E83 PolarHBondContact O-N 2.96Å; E83-N85 PolarHBondContact O-N 2.79Å; E83-N85 VanDerWaalsContact O-N 3.16Å; E83-E86 PolarHBondContact O-N 3.49Å; E83-I87 VanDerWaalsContact O-CB 3.24Å; E83-I87 WeakPolarHBondContact O-CB 3.48Å; E83-I87 VanDerWaalsContact O-CG2 3.31Å; E83-I87 WeakPolarHBondContact O-CG2 3.36Å; E83-I87 PolarHBondContact O-N 2.73Å; E83-K102 IonicContact OE1-NZ 2.91Å; E83-K102 PolarHBondContact OE1-NZ 3.32Å; E83-K102 WeakPolarHBondContact OE2-CD 3.24Å; E83-K102 WeakPolarHBondContact OE2-CE 3.31Å; E83-K102 IonicContact OE2-NZ 3.2Å; E83-K102 PolarHBondContact OE2-NZ 3.14Å; E83-H129 IonicContact OE1-CD2 3.27Å; E83-H129 IonicContact OE1-NE2 3.14Å; E83-H129 PolarHBondContact OE1-NE2 3.09Å; E83-Y132 WeakPolarHBondContact CA-OH 3.24Å; E83-Y132 WeakPolarHBondContact CB-OH 3.4Å; E83-Y132 PolarHBondContact O-OH 3.34Å; E83-Y132 VanDerWaalsContact O-OH 3.09Å; E83-R206 IonicContact OE1-NH2 3.36Å; E83-R206 PolarHBondContact OE1-NH2 3.29Å
84	K	94.8	Very high	96.3	Very high	91 Å²	91	62.7 Å²	62.7	40%	0.396	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-24.4	177.4	-67.3	-177.6	-179.8	-176.3	0	112.7	G76 L79 V80 P81 F82 Y88	G76-K84 WeakPolarHBondContact O-CE 3.41Å; G76-K84 PolarHBondContact O-NZ 2.91Å; L79-K84 HydrophobicContact CB-CG 4.02Å; V80-K84 PolarHBondContact O-N 3.27Å; P81-K84 PolarHBondContact O-N 2.84Å; F82-K84 VanDerWaalsContact C-N 3.31Å; F82-K84 PolarHBondContact O-N 3.26Å; K84-Y88 WeakPolarHBondContact O-CD2 3.33Å; K84-Y88 WeakPolarHBondContact O-CE2 3.48Å
85	N	94.1	Very high	96.4	Very high	104 Å²	104	60.5 Å²	60.5	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-95.7	-43.5	174.1	-61.5	-49.4	0	0	0	111.6	P81 F82 E83 I87	P81-N85 PolarHBondContact O-ND2 2.94Å; F82-N85 PolarHBondContact O-N 2.8Å; F82-N85 VanDerWaalsContact O-N 3.17Å; E83-N85 PolarHBondContact O-N 2.79Å; E83-N85 VanDerWaalsContact O-N 3.16Å; N85-I87 VanDerWaalsContact C-N 3.31Å; N85-I87 PolarHBondContact O-N 3.25Å
86	E	96.6	Very high	96.5	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.075	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-36.8	-177.7	179.7	-177.8	-129.7	0	0	112.8	F82 E83 Y88 N89 Y90 Y132 R206	F82-E86 HydrophobicContact CD1-CB 4.18Å; F82-E86 HydrophobicContact CE1-CB 4.03Å; F82-E86 HydrophobicContact CE1-CG 4.22Å; F82-E86 PolarHBondContact O-N 3.49Å; E83-E86 PolarHBondContact O-N 3.49Å; E86-Y88 PolarHBondContact O-N 3.3Å; E86-Y88 VanDerWaalsContact O-N 3.14Å; E86-N89 VanDerWaalsContact O-CB 3.31Å; E86-N89 WeakPolarHBondContact O-CB 3.4Å; E86-N89 PolarHBondContact O-N 3.43Å; E86-N89 PolarHBondContact O-ND2 2.71Å; E86-Y90 HydrophobicContact CG-CE2 4Å; E86-Y132 HydrophobicContact CG-CE2 4.12Å; E86-Y132 PolarHBondContact OE2-OH 3.42Å; E86-R206 WeakPolarHBondContact OE1-CG 3.23Å; E86-R206 IonicContact OE1-NE 3.26Å; E86-R206 PolarHBondContact OE1-NE 3.28Å; E86-R206 IonicContact OE2-CZ 3.43Å; E86-R206 IonicContact OE2-NE 3.04Å; E86-R206 PolarHBondContact OE2-NE 3.2Å; E86-R206 IonicContact OE2-NH2 2.7Å; E86-R206 PolarHBondContact OE2-NH2 3.04Å
87	I	97.6	Very high	96.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-58.4	-30.5	-173.3	-163.1	166.2	0	0	0	113.8	A71 V72 L79 E83 N85 N89 Y90 V93 Y132	A71-I87 HydrophobicContact CB-CD1 3.89Å; V72-I87 HydrophobicContact CG2-CD1 4.19Å; V72-I87 HydrophobicContact CG2-CG2 3.54Å; L79-I87 HydrophobicContact CD1-CD1 3.93Å; E83-I87 VanDerWaalsContact O-CB 3.24Å; E83-I87 WeakPolarHBondContact O-CB 3.48Å; E83-I87 VanDerWaalsContact O-CG2 3.31Å; E83-I87 WeakPolarHBondContact O-CG2 3.36Å; E83-I87 PolarHBondContact O-N 2.73Å; N85-I87 VanDerWaalsContact C-N 3.31Å; N85-I87 PolarHBondContact O-N 3.25Å; I87-N89 PolarHBondContact O-N 2.91Å; I87-Y90 PolarHBondContact O-N 2.87Å; I87-Y90 VanDerWaalsContact O-N 3.12Å; I87-V93 HydrophobicContact CD1-CG1 4.4Å; I87-V93 HydrophobicContact CD1-CG2 3.82Å; I87-V93 HydrophobicContact CG1-CG2 3.55Å; I87-Y132 HydrophobicContact CB-CE1 4.01Å; I87-Y132 HydrophobicContact CB-CE2 4.13Å; I87-Y132 HydrophobicContact CD1-CD1 4.1Å; I87-Y132 HydrophobicContact CD1-CE1 3.78Å; I87-Y132 HydrophobicContact CG1-CD1 4.06Å; I87-Y132 HydrophobicContact CG1-CD2 4.5Å; I87-Y132 HydrophobicContact CG1-CE1 3.75Å; I87-Y132 HydrophobicContact CG1-CE2 4.24Å; I87-Y132 HydrophobicContact CG1-CG 4.41Å; I87-Y132 PolarHBondContact N-OH 2.93Å
88	Y	97.5	Very high	96.6	Very high	117 Å²	117	54.5 Å²	54.5	46%	0.459	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-72.5	-10.9	178.8	-66.4	-75.3	0	0	0	113.7	P68 E69 V72 K84 E86 Y90	P68-Y88 HydrophobicContact CB-CD1 3.64Å; P68-Y88 HydrophobicContact CB-CE1 4Å; P68-Y88 HydrophobicContact CB-CG 4.37Å; E69-Y88 HydrophobicContact CG-CE1 4.22Å; V72-Y88 HydrophobicContact CG2-CE2 4.23Å; K84-Y88 WeakPolarHBondContact O-CD2 3.33Å; K84-Y88 WeakPolarHBondContact O-CE2 3.48Å; E86-Y88 PolarHBondContact O-N 3.3Å; E86-Y88 VanDerWaalsContact O-N 3.14Å; Y88-Y90 PolarHBondContact O-N 3.34Å
89	N	96.9	Very high	96.6	Very high	127 Å²	127	57.2 Å²	57.2	68%	0.679	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-77.8	-9.1	170.9	-62.2	-37.5	0	0	0	112.7	E86 I87	E86-N89 VanDerWaalsContact O-CB 3.31Å; E86-N89 WeakPolarHBondContact O-CB 3.4Å; E86-N89 PolarHBondContact O-N 3.43Å; E86-N89 PolarHBondContact O-ND2 2.71Å; I87-N89 PolarHBondContact O-N 2.91Å
90	Y	97.1	Very high	96.6	Very high	46 Å²	46	57.4 Å²	57.4	18%	0.18	29%	0.288	C	S	.	.			trans	-107.2	131.7	-178.9	-65.2	-89.7	0	0	0	110	P68 E86 I87 Y88 R92 A131 Y132 F205	P68-Y90 WeakPolarHBondContact CG-O 3.34Å; E86-Y90 HydrophobicContact CG-CE2 4Å; I87-Y90 PolarHBondContact O-N 2.87Å; I87-Y90 VanDerWaalsContact O-N 3.12Å; Y88-Y90 PolarHBondContact O-N 3.34Å; Y90-R92 VanDerWaalsContact C-N 3.33Å; Y90-R92 PolarHBondContact O-N 3.19Å; Y90-A131 HydrophobicContact CD1-CB 4.44Å; Y90-A131 HydrophobicContact CE1-CB 3.65Å; Y90-Y132 HydrophobicContact CD1-CD2 4.29Å; Y90-Y132 AromaticContact CD2-CD2 3.32Å; Y90-Y132 HydrophobicContact CD2-CD2 3.32Å; Y90-Y132 AromaticContact CD2-CE2 3.49Å; Y90-Y132 HydrophobicContact CD2-CE2 3.49Å; Y90-Y132 VanDerWaalsContact CD2-CE2 3.49Å; Y90-Y132 AromaticContact CE2-CD2 3.62Å; Y90-Y132 HydrophobicContact CE2-CD2 3.62Å; Y90-Y132 AromaticContact CE2-CE2 3.59Å; Y90-Y132 HydrophobicContact CE2-CE2 3.59Å; Y90-Y132 AromaticContact CG-CD2 3.71Å; Y90-Y132 HydrophobicContact CG-CD2 3.71Å; Y90-Y132 HydrophobicContact CG-CE2 4.33Å; Y90-F205 WeakPolarHBondContact OH-CD2 3.32Å
91	T	95.8	Very high	96.5	Very high	130 Å²	130	65.7 Å²	65.7	80%	0.798	32%	0.322	S	S	*	.	S	Bend	trans	-72.4	-28.2	-178.6	52.7	0	0	0	0	113.1
92	R	97.1	Very high	96.6	Very high	114 Å²	114	62.8 Å²	62.8	43%	0.43	30%	0.3	S	S	.	.			trans	-141.2	141.1	179.5	-69.1	-67.6	-173.9	158.8	-3.3	110.3	S64 G65 F66 Y90 F94	S64-R92 WeakPolarHBondContact O-CD 3.37Å; S64-R92 PolarHBondContact O-NH1 2.7Å; G65-R92 PolarHBondContact O-NH1 2.76Å; F66-R92 WeakPolarHBondContact O-CA 2.95Å; Y90-R92 VanDerWaalsContact C-N 3.33Å; Y90-R92 PolarHBondContact O-N 3.19Å; R92-F94 HydrophobicContact CB-CD2 4.46Å; R92-F94 HydrophobicContact CB-CE1 4.44Å; R92-F94 HydrophobicContact CB-CE2 3.61Å; R92-F94 HydrophobicContact CB-CZ 3.59Å; R92-F94 HydrophobicContact CG-CZ 4.3Å
93	V	98.1	Very high	96.4	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.006	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-114.4	116.1	177.9	172.7	0	0	0	0	108.6	G65 F66 A71 I87 V96 Y132	G65-V93 CarbonylContact C-O 3.34Å; G65-V93 WeakPolarHBondContact CA-O 3.35Å; F66-V93 HydrophobicContact CB-CB 4.38Å; F66-V93 PolarHBondContact N-O 3.49Å; F66-V93 PolarHBondContact O-N 2.97Å; A71-V93 HydrophobicContact CB-CB 3.85Å; A71-V93 HydrophobicContact CB-CG1 3.77Å; A71-V93 HydrophobicContact CB-CG2 3.98Å; I87-V93 HydrophobicContact CD1-CG1 4.4Å; I87-V93 HydrophobicContact CD1-CG2 3.82Å; I87-V93 HydrophobicContact CG1-CG2 3.55Å; V93-V96 HydrophobicContact CG1-CG1 3.52Å; V93-Y132 HydrophobicContact CG1-CD1 4.29Å; V93-Y132 HydrophobicContact CG2-CG 4.39Å
94	F	98.2	Very high	96	Very high	33 Å²	33	67 Å²	67	15%	0.145	33%	0.332	C	S	.	.	S	Bend	trans	-103.6	-28.9	179.7	-53.7	-88.9	0	0	0	112	N63 R92 Y132 R133 H154 K155	N63-F94 VanDerWaalsContact O-CE1 3.28Å; N63-F94 WeakPolarHBondContact O-CE1 3.45Å; R92-F94 HydrophobicContact CB-CD2 4.46Å; R92-F94 HydrophobicContact CB-CE1 4.44Å; R92-F94 HydrophobicContact CB-CE2 3.61Å; R92-F94 HydrophobicContact CB-CZ 3.59Å; R92-F94 HydrophobicContact CG-CZ 4.3Å; F94-Y132 PolarHBondContact N-O 2.76Å; F94-R133 HydrophobicContact CD2-CB 4.04Å; F94-R133 HydrophobicContact CD2-CG 4.07Å; F94-H154 HydrophobicContact CB-CB 3.88Å; F94-K155 HydrophobicContact CD1-CB 3.9Å; F94-K155 HydrophobicContact CD1-CG 4.23Å; F94-K155 HydrophobicContact CD2-CB 4.29Å; F94-K155 HydrophobicContact CE1-CB 3.9Å; F94-K155 HydrophobicContact CE1-CD 4.33Å; F94-K155 HydrophobicContact CE1-CG 3.71Å; F94-K155 HydrophobicContact CE2-CB 4.29Å; F94-K155 HydrophobicContact CE2-CD 4.25Å; F94-K155 HydrophobicContact CE2-CG 4.36Å; F94-K155 HydrophobicContact CG-CB 4.1Å; F94-K155 HydrophobicContact CZ-CB 4.09Å; F94-K155 HydrophobicContact CZ-CD 3.87Å; F94-K155 HydrophobicContact CZ-CG 3.78Å
95	F	98.3	Very high	95.7	Very high	36 Å²	36	63.2 Å²	63.2	16%	0.158	32%	0.319	C	S	.	.			trans	-153.4	134	-176.7	-176.8	-107.8	0	0	0	111.5	H127 H129 Y132 E135 H154	F95-H127 WeakPolarHBondContact CZ-O 3.44Å; F95-H129 HydrophobicContact CD1-CB 3.71Å; F95-H129 HydrophobicContact CE1-CB 4.22Å; F95-Y132 PolarHBondContact N-O 2.92Å; F95-Y132 CarbonylContact O-C 3.53Å; F95-Y132 WeakPolarHBondContact O-CA 3.47Å; F95-E135 HydrophobicContact CD1-CB 3.91Å; F95-E135 HydrophobicContact CD1-CG 4.48Å; F95-E135 HydrophobicContact CE1-CB 3.54Å; F95-E135 HydrophobicContact CE1-CG 3.63Å; F95-E135 HydrophobicContact CE2-CB 4.46Å; F95-E135 HydrophobicContact CE2-CG 4.42Å; F95-E135 HydrophobicContact CZ-CB 3.84Å; F95-E135 HydrophobicContact CZ-CG 3.58Å; F95-H154 HydrophobicContact CB-CB 4.05Å; F95-H154 AromaticContact CD2-CD2 3.69Å; F95-H154 AromaticContact CD2-CE1 3.52Å; F95-H154 AromaticContact CD2-NE2 3.3Å; F95-H154 VanDerWaalsContact CD2-NE2 3.3Å; F95-H154 WeakPolarHBondContact CD2-NE2 3.25Å; F95-H154 AromaticContact CE2-CE1 3.93Å; F95-H154 AromaticContact CE2-NE2 3.65Å; F95-H154 AromaticContact CG-CD2 3.56Å; F95-H154 AromaticContact CG-NE2 3.64Å
96	V	97.9	Very high	95.5	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.042	32%	0.32	C	S	.	.			trans	-116.6	-1.9	-177.9	-58.6	0	0	0	0	114	F75 L79 V93 S98 K102 H129 Y132	F75-V96 HydrophobicContact CB-CG2 3.95Å; F75-V96 HydrophobicContact CD1-CG2 4.09Å; F75-V96 HydrophobicContact CD2-CG1 4.11Å; F75-V96 HydrophobicContact CD2-CG2 4.16Å; F75-V96 HydrophobicContact CG-CG1 4.45Å; F75-V96 HydrophobicContact CG-CG2 3.8Å; L79-V96 HydrophobicContact CD2-CB 3.98Å; L79-V96 HydrophobicContact CD2-CG1 4.25Å; V93-V96 HydrophobicContact CG1-CG1 3.52Å; V96-S98 WeakPolarHBondContact CG2-OG 3.37Å; V96-S98 PolarHBondContact O-N 2.8Å; V96-K102 WeakPolarHBondContact O-CE 3.22Å; V96-K102 PolarHBondContact O-NZ 3.29Å; V96-H129 PolarHBondContact O-CD2 2.94Å; V96-Y132 HydrophobicContact CG1-CD1 4.26Å
97	G	97.6	Very high	95	Very high	1 Å²	1	68 Å²	68	1%	0.01	35%	0.347	C	S	.	.			trans	62.7	41.3	179.6	0	0	0	0	0	114.6	H99 A100 K102 H127	G97-H99 PolarHBondContact O-N 3.45Å; G97-A100 WeakPolarHBondContact O-CB 3.22Å; G97-A100 PolarHBondContact O-N 2.95Å; G97-K102 WeakPolarHBondContact O-CE 3.37Å; G97-H127 WeakPolarHBondContact CA-O 3.35Å
98	S	96.3	Very high	94.4	Very high	34 Å²	34	72.1 Å²	72.1	24%	0.238	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-20.5	-171.7	-60.2	0	0	0	0	116.3	V96	V96-S98 WeakPolarHBondContact CG2-OG 3.37Å; V96-S98 PolarHBondContact O-N 2.8Å
99	H	94.9	Very high	94	Very high	175 Å²	175	68 Å²	68	81%	0.81	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-2.2	-178.2	-58.1	-65	0	0	0	113.2	G97	G97-H99 PolarHBondContact O-N 3.45Å
100	A	96.4	Very high	93.8	Very high	17 Å²	17	65.7 Å²	65.7	14%	0.14	38%	0.381	C	S	.	.	S	Bend	trans	-73.5	146.9	179.9	0	0	0	0	0	111.5	G97 K102 V125 D128	G97-A100 WeakPolarHBondContact O-CB 3.22Å; G97-A100 PolarHBondContact O-N 2.95Å; A100-K102 HydrophobicContact CB-CG 4.21Å; A100-K102 PolarHBondContact O-N 2.93Å; A100-V125 HydrophobicContact CB-CG1 4.07Å; A100-D128 HydrophobicContact CB-CB 3.66Å
101	K	95.6	Very high	93.7	Very high	195 Å²	195	67.4 Å²	67.4	85%	0.848	39%	0.393	S	S	*	.			trans	-79.3	72	170.8	-66.3	-176.3	-179.7	-178.7	0	109.6	V125	K101-V125 WeakPolarHBondContact O-CG1 3.49Å
102	K	95.2	Very high	93.7	Very high	35 Å²	35	62.9 Å²	62.9	15%	0.152	36%	0.364	C	S	.	.			trans	-60.8	146.2	-172.3	-67.5	172.9	174.2	-70.5	0	112.6	V80 E83 V96 G97 A100 D128 H129	V80-K102 HydrophobicContact CG1-CB 3.73Å; V80-K102 HydrophobicContact CG1-CD 4.1Å; E83-K102 IonicContact OE1-NZ 2.91Å; E83-K102 PolarHBondContact OE1-NZ 3.32Å; E83-K102 WeakPolarHBondContact OE2-CD 3.24Å; E83-K102 WeakPolarHBondContact OE2-CE 3.31Å; E83-K102 IonicContact OE2-NZ 3.2Å; E83-K102 PolarHBondContact OE2-NZ 3.14Å; V96-K102 WeakPolarHBondContact O-CE 3.22Å; V96-K102 PolarHBondContact O-NZ 3.29Å; G97-K102 WeakPolarHBondContact O-CE 3.37Å; A100-K102 HydrophobicContact CB-CG 4.21Å; A100-K102 PolarHBondContact O-N 2.93Å; K102-D128 IonicContact NZ-OD1 2.74Å; K102-D128 PolarHBondContact NZ-OD1 3.3Å; K102-H129 PolarHBondContact NZ-CD2 3.04Å
103	Q	91.6	Very high	93.5	Very high	58 Å²	58	57.9 Å²	57.9	27%	0.271	35%	0.348	S	S	.	.			trans	-82.3	131.4	169.6	-169.1	165.3	13.1	0	0	110.7	G105 G114 Y115	Q103-G105 PolarHBondContact O-N 3.37Å; Q103-G105 VanDerWaalsContact O-N 3.1Å; Q103-G114 VanDerWaalsContact CD-O 3.23Å; Q103-G114 PolarHBondContact NE2-O 3.27Å; Q103-G114 PolarHBondContact OE1-O 2.87Å; Q103-Y115 HydrophobicContact CB-CD1 4.44Å; Q103-Y115 HydrophobicContact CB-CE1 4.18Å
104	A	89.4	Confident	93.3	Very high	71 Å²	71	58.9 Å²	58.9	59%	0.587	36%	0.358	S	S	*	.			trans	-82.8	82	175.9	0	0	0	0	0	110.1
105	G	87.8	Confident	93.3	Very high	11 Å²	11	57.4 Å²	57.4	11%	0.113	35%	0.352	C	S	.	.			trans	-64.9	146.7	179.9	0	0	0	0	0	113.2	Q103 G113 Y115	Q103-G105 PolarHBondContact O-N 3.37Å; Q103-G105 VanDerWaalsContact O-N 3.1Å; G105-G113 CarbonylContact C-O 3.52Å; G105-G113 WeakPolarHBondContact CA-O 3.31Å; G105-Y115 PolarHBondContact N-OH 2.93Å
106	V	89	Confident	93.2	Very high	94 Å²	94	56 Å²	56	57%	0.57	35%	0.346	S	S	*	.			trans	-116.3	118.7	178.4	-177.8	0	0	0	0	109.5	G108 G109 G113	V106-G108 PolarHBondContact O-N 3.22Å; V106-G109 PolarHBondContact O-N 3.45Å; V106-G113 PolarHBondContact N-O 2.79Å; V106-G113 WeakPolarHBondContact O-CA 3.35Å
107	I	85.8	Confident	93.1	Very high	127 Å²	127	58.1 Å²	58.1	65%	0.651	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	127.3	-179.7	-61.2	171.5	0	0	0	109.8	F82 G109	F82-I107 HydrophobicContact CD2-CD1 4.49Å; F82-I107 HydrophobicContact CD2-CG1 3.68Å; F82-I107 HydrophobicContact CE2-CG1 3.62Å; I107-G109 PolarHBondContact O-N 2.98Å
108	G	86	Confident	92.9	Very high	85 Å²	85	66.8 Å²	66.8	88%	0.876	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	1.3	-179.2	0	0	0	0	0	115	V106	V106-G108 PolarHBondContact O-N 3.22Å
109	G	89.6	Confident	92.8	Very high	30 Å²	30	69.9 Å²	69.9	31%	0.309	41%	0.411	S	S	.	.			trans	-67	163.4	174	0	0	0	0	0	112.8	V106 I107 G113	V106-G109 PolarHBondContact O-N 3.45Å; I107-G109 PolarHBondContact O-N 2.98Å; G109-G113 PolarHBondContact O-N 2.73Å
110	A	92.5	Very high	92.8	Very high	80 Å²	80	62.1 Å²	62.1	66%	0.661	38%	0.378	S	S	*	.	H	α-helix	trans	-56.1	156.9	173.9	0	0	0	0	0	111.8	N112 G113 G114	A110-N112 PolarHBondContact O-N 3.28Å; A110-G113 PolarHBondContact O-N 2.65Å; A110-G113 VanDerWaalsContact O-N 3.16Å; A110-G114 PolarHBondContact O-N 2.85Å
111	N	94.2	Very high	92.8	Very high	82 Å²	82	62 Å²	62	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	52	51.3	177.7	-59.4	81.7	0	0	0	112.9	G113 G114 Y115 D116 D117	N111-G113 VanDerWaalsContact C-N 3.33Å; N111-G113 PolarHBondContact O-N 2.94Å; N111-G114 CarbonylContact O-C 3.52Å; N111-G114 WeakPolarHBondContact O-CA 3.17Å; N111-G114 PolarHBondContact O-N 3.39Å; N111-Y115 PolarHBondContact O-N 3.41Å; N111-D116 WeakPolarHBondContact CB-O 3.22Å; N111-D116 PolarHBondContact O-N 2.8Å; N111-D117 PolarHBondContact ND2-O 2.85Å
112	N	95.4	Very high	92.9	Very high	35 Å²	35	53.3 Å²	53.3	19%	0.187	34%	0.339	C	S	.	.	H	α-helix	trans	57.1	45.4	-178.7	-171.8	28.4	0	0	0	112.4	A110 G114 Y115 D116 R206 N207	A110-N112 PolarHBondContact O-N 3.28Å; N112-G114 PolarHBondContact O-N 2.95Å; N112-Y115 WeakPolarHBondContact O-CD2 3.33Å; N112-Y115 PolarHBondContact O-N 3.2Å; N112-D116 HydrophobicContact CB-CB 3.95Å; N112-D116 WeakPolarHBondContact CB-OD1 3.46Å; N112-D116 VanDerWaalsContact CB-OD2 3.24Å; N112-D116 WeakPolarHBondContact CB-OD2 3.32Å; N112-D116 PolarHBondContact ND2-OD1 3.12Å; N112-R206 PolarHBondContact ND2-O 3.49Å; N112-N207 PolarHBondContact OD1-ND2 3.13Å
113	G	93.3	Very high	93	Very high	9 Å²	9	55.7 Å²	55.7	9%	0.093	35%	0.35	C	S	.	.	H	α-helix	trans	66.7	23.6	-175.5	0	0	0	0	0	114.2	G105 V106 G109 A110 N111	G105-G113 CarbonylContact C-O 3.52Å; G105-G113 WeakPolarHBondContact CA-O 3.31Å; V106-G113 PolarHBondContact N-O 2.79Å; V106-G113 WeakPolarHBondContact O-CA 3.35Å; G109-G113 PolarHBondContact O-N 2.73Å; A110-G113 PolarHBondContact O-N 2.65Å; A110-G113 VanDerWaalsContact O-N 3.16Å; N111-G113 VanDerWaalsContact C-N 3.33Å; N111-G113 PolarHBondContact O-N 2.94Å
114	G	95.4	Very high	93.2	Very high	21 Å²	21	54.8 Å²	54.8	22%	0.216	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-14.8	-175.6	0	0	0	0	0	114.3	Q103 A110 N111 N112 D116 Q123	Q103-G114 VanDerWaalsContact CD-O 3.23Å; Q103-G114 PolarHBondContact NE2-O 3.27Å; Q103-G114 PolarHBondContact OE1-O 2.87Å; A110-G114 PolarHBondContact O-N 2.85Å; N111-G114 CarbonylContact O-C 3.52Å; N111-G114 WeakPolarHBondContact O-CA 3.17Å; N111-G114 PolarHBondContact O-N 3.39Å; N112-G114 PolarHBondContact O-N 2.95Å; G114-D116 PolarHBondContact O-N 3.21Å; G114-Q123 PolarHBondContact O-NE2 2.77Å
115	Y	97.1	Very high	93.6	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.012	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.6	-175.8	-71.4	-62.3	0	0	0	114.6	F82 Q103 G105 N111 N112 Y122 Q123	F82-Y115 AromaticContact CD1-CE2 3.82Å; F82-Y115 HydrophobicContact CD1-CE2 3.82Å; F82-Y115 AromaticContact CD1-CZ 3.91Å; F82-Y115 VanDerWaalsContact CD1-OH 3.24Å; F82-Y115 WeakPolarHBondContact CD1-OH 3.37Å; F82-Y115 HydrophobicContact CD2-CE2 4.14Å; F82-Y115 AromaticContact CE1-CE2 3.73Å; F82-Y115 HydrophobicContact CE1-CE2 3.73Å; F82-Y115 HydrophobicContact CE2-CE2 4.06Å; F82-Y115 HydrophobicContact CG-CE2 4.03Å; F82-Y115 WeakPolarHBondContact CG-OH 3.34Å; F82-Y115 AromaticContact CZ-CE2 3.86Å; F82-Y115 HydrophobicContact CZ-CE2 3.86Å; Q103-Y115 HydrophobicContact CB-CD1 4.44Å; Q103-Y115 HydrophobicContact CB-CE1 4.18Å; G105-Y115 PolarHBondContact N-OH 2.93Å; N111-Y115 PolarHBondContact O-N 3.41Å; N112-Y115 WeakPolarHBondContact O-CD2 3.33Å; N112-Y115 PolarHBondContact O-N 3.2Å; Y115-Y122 HydrophobicContact CD1-CE2 4.15Å; Y115-Y122 HydrophobicContact CG-CE2 4.19Å; Y115-Q123 WeakPolarHBondContact O-CB 2.94Å; Y115-Q123 WeakPolarHBondContact O-CG 3.39Å; Y115-Q123 PolarHBondContact O-N 2.78Å
116	D	97.3	Very high	94.1	Very high	7 Å²	7	56 Å²	56	4%	0.037	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-107.1	152.8	-179.3	-63.1	7.7	0	0	0	110.7	N111 N112 G114 S121 Q123 N167 H208	N111-D116 WeakPolarHBondContact CB-O 3.22Å; N111-D116 PolarHBondContact O-N 2.8Å; N112-D116 HydrophobicContact CB-CB 3.95Å; N112-D116 WeakPolarHBondContact CB-OD1 3.46Å; N112-D116 VanDerWaalsContact CB-OD2 3.24Å; N112-D116 WeakPolarHBondContact CB-OD2 3.32Å; N112-D116 PolarHBondContact ND2-OD1 3.12Å; G114-D116 PolarHBondContact O-N 3.21Å; D116-S121 CarbonylContact C-O 3.58Å; D116-S121 WeakPolarHBondContact CA-O 3.24Å; D116-Q123 PolarHBondContact O-NE2 2.9Å; D116-N167 WeakPolarHBondContact OD2-CB 3.46Å; D116-N167 PolarHBondContact OD2-ND2 2.79Å; D116-H208 IonicContact OD1-CD2 3.67Å; D116-H208 IonicContact OD1-CE1 3.04Å; D116-H208 IonicContact OD1-NE2 3.49Å; D116-H208 PolarHBondContact OD1-NE2 2.74Å; D116-H208 IonicContact OD2-CE1 3.42Å; D116-H208 IonicContact OD2-NE2 2.8Å
117	D	94.8	Very high	94.5	Very high	51 Å²	51	56 Å²	56	27%	0.273	34%	0.339	S	S	.	.			trans	-75.2	-179.5	163.8	67.2	11.5	0	0	0	111.3	N111 N119 G120 S121 Q123	N111-D117 PolarHBondContact ND2-O 2.85Å; D117-N119 PolarHBondContact O-N 3.34Å; D117-N119 VanDerWaalsContact O-N 3.07Å; D117-N119 VanDerWaalsContact OD1-C 3.28Å; D117-N119 VanDerWaalsContact OD1-CA 3.24Å; D117-N119 WeakPolarHBondContact OD1-CA 3.5Å; D117-N119 WeakPolarHBondContact OD1-CB 3.48Å; D117-N119 PolarHBondContact OD1-N 3.16Å; D117-G120 PolarHBondContact O-N 3.42Å; D117-G120 PolarHBondContact OD1-N 3.42Å; D117-S121 PolarHBondContact N-O 3.47Å; D117-S121 WeakPolarHBondContact OD1-CB 3.48Å; D117-S121 PolarHBondContact OD1-N 2.86Å; D117-S121 WeakPolarHBondContact OD2-CB 3.4Å; D117-Q123 HydrophobicContact CB-CG 4.39Å
118	E	94.2	Very high	95.1	Very high	183 Å²	183	50.2 Å²	50.2	86%	0.855	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.7	176.1	-63	178	-179.7	0	0	113.2
119	N	93.1	Very high	95.7	Very high	98 Å²	98	46.1 Å²	46.1	52%	0.524	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.6	-179.2	-82.3	-44.4	0	0	0	111.3	D117 R166	D117-N119 PolarHBondContact O-N 3.34Å; D117-N119 VanDerWaalsContact O-N 3.07Å; D117-N119 VanDerWaalsContact OD1-C 3.28Å; D117-N119 VanDerWaalsContact OD1-CA 3.24Å; D117-N119 WeakPolarHBondContact OD1-CA 3.5Å; D117-N119 WeakPolarHBondContact OD1-CB 3.48Å; D117-N119 PolarHBondContact OD1-N 3.16Å; N119-R166 VanDerWaalsContact CA-NH2 3.25Å; N119-R166 PolarHBondContact O-NE 3.28Å; N119-R166 PolarHBondContact O-NH2 2.96Å; N119-R166 PolarHBondContact OD1-NH2 2.79Å; N119-R166 VanDerWaalsContact OD1-NH2 3.13Å
120	G	95.1	Very high	96.2	Very high	12 Å²	12	44.8 Å²	44.8	12%	0.124	25%	0.253	C	S	.	.	S	Bend	trans	81	17.3	-173.4	0	0	0	0	0	113.3	D117 R166 N167 H208	D117-G120 PolarHBondContact O-N 3.42Å; D117-G120 PolarHBondContact OD1-N 3.42Å; G120-R166 VanDerWaalsContact O-CG 3.22Å; G120-R166 WeakPolarHBondContact O-CG 3.09Å; G120-N167 PolarHBondContact O-N 3.4Å; G120-H208 PolarHBondContact O-CE1 3.12Å
121	S	96.5	Very high	96.4	Very high	16 Å²	16	41.5 Å²	41.5	11%	0.112	23%	0.225	C	C	.	.			trans	-88.1	137.7	169	-51.4	0	0	0	0	109.8	D116 D117 Q123	D116-S121 CarbonylContact C-O 3.58Å; D116-S121 WeakPolarHBondContact CA-O 3.24Å; D117-S121 PolarHBondContact N-O 3.47Å; D117-S121 WeakPolarHBondContact OD1-CB 3.48Å; D117-S121 PolarHBondContact OD1-N 2.86Å; D117-S121 WeakPolarHBondContact OD2-CB 3.4Å; S121-Q123 PolarHBondContact O-N 3.14Å
122	Y	97.6	Very high	96.6	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.047	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-61.8	132.8	177.7	-168.3	-101.6	0	0	0	111.6	Y115 L124 I130 L164 F205 R206 H208	Y115-Y122 HydrophobicContact CD1-CE2 4.15Å; Y115-Y122 HydrophobicContact CG-CE2 4.19Å; Y122-L124 HydrophobicContact CD1-CD2 3.87Å; Y122-L124 HydrophobicContact CD1-CG 4.29Å; Y122-L124 HydrophobicContact CE1-CD2 4.33Å; Y122-L124 PolarHBondContact O-N 2.94Å; Y122-L124 VanDerWaalsContact O-N 3.16Å; Y122-I130 HydrophobicContact CE1-CD1 3.94Å; Y122-L164 HydrophobicContact CD1-CD2 3.87Å; Y122-L164 HydrophobicContact CG-CD2 4.05Å; Y122-F205 HydrophobicContact CE1-CE1 4.49Å; Y122-F205 HydrophobicContact CE2-CE1 4.21Å; Y122-F205 AromaticContact CZ-CE1 3.82Å; Y122-F205 WeakPolarHBondContact OH-CE1 3.44Å; Y122-R206 HydrophobicContact CE2-CB 4.09Å; Y122-R206 PolarHBondContact OH-NH1 3.43Å; Y122-H208 WeakPolarHBondContact CB-NE2 3.2Å; Y122-H208 AromaticContact CD2-CD2 3.48Å; Y122-H208 VanDerWaalsContact CD2-CD2 3.48Å; Y122-H208 WeakPolarHBondContact CD2-CD2 3.48Å; Y122-H208 AromaticContact CD2-NE2 3.53Å; Y122-H208 AromaticContact CG-NE2 4Å; Y122-H208 PolarHBondContact N-CE1 3.37Å
123	Q	96.9	Very high	96.8	Very high	84 Å²	84	37.2 Å²	37.2	39%	0.393	20%	0.2	S	C	.	.			trans	-81.3	92.4	176.6	-62.6	-164.3	72.1	0	0	110	G114 Y115 D116 D117 S121	G114-Q123 PolarHBondContact O-NE2 2.77Å; Y115-Q123 WeakPolarHBondContact O-CB 2.94Å; Y115-Q123 WeakPolarHBondContact O-CG 3.39Å; Y115-Q123 PolarHBondContact O-N 2.78Å; D116-Q123 PolarHBondContact O-NE2 2.9Å; D117-Q123 HydrophobicContact CB-CG 4.39Å; S121-Q123 PolarHBondContact O-N 3.14Å
124	L	96.7	Very high	97	Very high	39 Å²	39	36.9 Å²	36.9	20%	0.204	20%	0.196	C	C	.	.			trans	-67	132.9	-179.4	-68.8	169.7	0	0	0	112.6	Y122 V136 V139 I149 L164	Y122-L124 HydrophobicContact CD1-CD2 3.87Å; Y122-L124 HydrophobicContact CD1-CG 4.29Å; Y122-L124 HydrophobicContact CE1-CD2 4.33Å; Y122-L124 PolarHBondContact O-N 2.94Å; Y122-L124 VanDerWaalsContact O-N 3.16Å; L124-V136 HydrophobicContact CD2-CG1 4.22Å; L124-V136 HydrophobicContact CD2-CG2 4.31Å; L124-V139 HydrophobicContact CD1-CG2 3.64Å; L124-I149 HydrophobicContact CD1-CG2 3.32Å; L124-I149 HydrophobicContact CD2-CD1 4.35Å; L124-I149 HydrophobicContact CD2-CG2 4.12Å; L124-I149 HydrophobicContact CG-CG2 4.38Å; L124-L164 HydrophobicContact CD2-CD1 4.07Å; L124-L164 HydrophobicContact CD2-CD2 4.22Å
125	V	97.8	Very high	97.2	Very high	31 Å²	31	37.5 Å²	37.5	19%	0.188	19%	0.194	C	C	.	.			trans	-111.1	122.1	168.7	179.2	0	0	0	0	108.4	A100 K101 D128 V136	A100-V125 HydrophobicContact CB-CG1 4.07Å; K101-V125 WeakPolarHBondContact O-CG1 3.49Å; V125-D128 HydrophobicContact CB-CB 3.78Å; V125-D128 HydrophobicContact CG1-CB 4.02Å; V125-D128 VanDerWaalsContact O-CB 3.25Å; V125-D128 WeakPolarHBondContact O-CB 3.11Å; V125-D128 PolarHBondContact O-N 3.32Å; V125-D128 VanDerWaalsContact O-N 3.14Å; V125-V136 WeakPolarHBondContact O-CB 3.42Å
126	V	97.8	Very high	97.3	Very high	78 Å²	78	37.5 Å²	37.5	47%	0.473	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	138.6	178.4	-174.8	0	0	0	0	109.7	D128 L137	V126-D128 PolarHBondContact O-N 3.28Å; V126-L137 WeakPolarHBondContact CG1-O 3.48Å
127	H	98.2	Very high	97.3	Very high	94 Å²	94	39.2 Å²	39.2	44%	0.435	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	5.7	-171.5	-55	-64	0	0	0	115.7	F95 G97 E135 V136	F95-H127 WeakPolarHBondContact CZ-O 3.44Å; G97-H127 WeakPolarHBondContact CA-O 3.35Å; H127-E135 IonicContact CE1-OE1 3.3Å; H127-E135 IonicContact CG-OE1 3.84Å; H127-E135 IonicContact ND1-OE1 3.76Å; H127-E135 PolarHBondContact ND1-OE1 2.81Å; H127-V136 WeakPolarHBondContact CA-O 3.25Å; H127-V136 PolarHBondContact N-O 3.46Å
128	D	98.5	Very high	97.4	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.219	C	C	.	.			trans	-80.4	169	170.2	-155.9	5.4	0	0	0	111.4	A100 K102 V125 V126 V136	A100-D128 HydrophobicContact CB-CB 3.66Å; K102-D128 IonicContact NZ-OD1 2.74Å; K102-D128 PolarHBondContact NZ-OD1 3.3Å; V125-D128 HydrophobicContact CB-CB 3.78Å; V125-D128 HydrophobicContact CG1-CB 4.02Å; V125-D128 VanDerWaalsContact O-CB 3.25Å; V125-D128 WeakPolarHBondContact O-CB 3.11Å; V125-D128 PolarHBondContact O-N 3.32Å; V125-D128 VanDerWaalsContact O-N 3.14Å; V126-D128 PolarHBondContact O-N 3.28Å; D128-V136 WeakPolarHBondContact O-CG2 3.4Å; D128-V136 PolarHBondContact O-N 2.97Å
129	H	98.5	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	149.8	179.1	76.8	76.7	0	0	0	112.8	E83 F95 V96 K102 Y132 Y134	E83-H129 IonicContact OE1-CD2 3.27Å; E83-H129 IonicContact OE1-NE2 3.14Å; E83-H129 PolarHBondContact OE1-NE2 3.09Å; F95-H129 HydrophobicContact CD1-CB 3.71Å; F95-H129 HydrophobicContact CE1-CB 4.22Å; V96-H129 PolarHBondContact O-CD2 2.94Å; K102-H129 PolarHBondContact NZ-CD2 3.04Å; H129-Y132 AromaticContact CE1-CD1 3.62Å; H129-Y132 AromaticContact CE1-CD2 3.93Å; H129-Y132 AromaticContact CE1-CE1 3.44Å; H129-Y132 VanDerWaalsContact CE1-CE1 3.44Å; H129-Y132 WeakPolarHBondContact CE1-CE1 3.48Å; H129-Y132 AromaticContact CE1-CE2 3.75Å; H129-Y132 AromaticContact CE1-CG 3.87Å; H129-Y132 AromaticContact CE1-CZ 3.52Å; H129-Y132 AromaticContact ND1-CD1 4Å; H129-Y132 PolarHBondContact ND1-N 2.8Å; H129-Y132 AromaticContact NE2-CD1 3.62Å; H129-Y132 AromaticContact NE2-CE1 3.25Å; H129-Y132 VanDerWaalsContact NE2-CE1 3.25Å; H129-Y132 WeakPolarHBondContact NE2-CE1 3.33Å; H129-Y132 AromaticContact NE2-CZ 3.68Å; H129-Y134 CarbonylContact C-O 3.54Å; H129-Y134 WeakPolarHBondContact CA-O 3.25Å
130	I	98.6	Very high	97.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.7	157.3	-57	-61.4	0	0	0	107.3	Y122 Y132 R133 Y134 V136 I149 L162 L164 F203 F205	Y122-I130 HydrophobicContact CE1-CD1 3.94Å; I130-Y132 PolarHBondContact O-N 2.96Å; I130-Y132 VanDerWaalsContact O-N 3.12Å; I130-R133 PolarHBondContact O-N 3.34Å; I130-R133 VanDerWaalsContact O-N 3.11Å; I130-Y134 PolarHBondContact N-O 3.47Å; I130-Y134 PolarHBondContact O-N 3.15Å; I130-V136 HydrophobicContact CD1-CG2 4.17Å; I130-V136 HydrophobicContact CG1-CG2 3.78Å; I130-I149 HydrophobicContact CG1-CD1 4.5Å; I130-L162 HydrophobicContact CB-CD1 4.26Å; I130-L162 HydrophobicContact CG2-CD1 4.06Å; I130-L164 HydrophobicContact CD1-CD2 4.03Å; I130-F203 HydrophobicContact CG2-CE2 3.84Å; I130-F203 HydrophobicContact CG2-CZ 4.01Å; I130-F205 HydrophobicContact CB-CD1 4.43Å; I130-F205 HydrophobicContact CB-CE1 4.44Å; I130-F205 HydrophobicContact CD1-CD1 3.82Å; I130-F205 HydrophobicContact CD1-CE1 3.5Å; I130-F205 VanDerWaalsContact CD1-CE1 3.5Å; I130-F205 HydrophobicContact CD1-CZ 4.42Å; I130-F205 HydrophobicContact CG2-CB 4.22Å; I130-F205 HydrophobicContact CG2-CD1 3.75Å; I130-F205 HydrophobicContact CG2-CE1 4.25Å; I130-F205 HydrophobicContact CG2-CG 3.97Å
131	A	98.3	Very high	97.6	Very high	11 Å²	11	37.3 Å²	37.3	9%	0.091	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	36.5	178.7	0	0	0	0	0	114.5	Y90 R133 F203 F205	Y90-A131 HydrophobicContact CD1-CB 4.44Å; Y90-A131 HydrophobicContact CE1-CB 3.65Å; A131-R133 PolarHBondContact O-N 3.01Å; A131-F203 HydrophobicContact CB-CD2 3.89Å; A131-F203 HydrophobicContact CB-CE2 3.45Å; A131-F203 VanDerWaalsContact CB-CE2 3.45Å; A131-F203 HydrophobicContact CB-CZ 4.05Å; A131-F205 HydrophobicContact CB-CD2 4.21Å; A131-F205 VanDerWaalsContact N-CD2 3.31Å; A131-F205 VanDerWaalsContact N-CE2 3.34Å
132	Y	98.5	Very high	97.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	27.9	-178.2	-60.9	-84.2	0	0	0	115	E83 E86 I87 Y90 V93 F94 F95 V96 H129 I130	E83-Y132 WeakPolarHBondContact CA-OH 3.24Å; E83-Y132 WeakPolarHBondContact CB-OH 3.4Å; E83-Y132 PolarHBondContact O-OH 3.34Å; E83-Y132 VanDerWaalsContact O-OH 3.09Å; E86-Y132 HydrophobicContact CG-CE2 4.12Å; E86-Y132 PolarHBondContact OE2-OH 3.42Å; I87-Y132 HydrophobicContact CB-CE1 4.01Å; I87-Y132 HydrophobicContact CB-CE2 4.13Å; I87-Y132 HydrophobicContact CD1-CD1 4.1Å; I87-Y132 HydrophobicContact CD1-CE1 3.78Å; I87-Y132 HydrophobicContact CG1-CD1 4.06Å; I87-Y132 HydrophobicContact CG1-CD2 4.5Å; I87-Y132 HydrophobicContact CG1-CE1 3.75Å; I87-Y132 HydrophobicContact CG1-CE2 4.24Å; I87-Y132 HydrophobicContact CG1-CG 4.41Å; I87-Y132 PolarHBondContact N-OH 2.93Å; Y90-Y132 HydrophobicContact CD1-CD2 4.29Å; Y90-Y132 AromaticContact CD2-CD2 3.32Å; Y90-Y132 HydrophobicContact CD2-CD2 3.32Å; Y90-Y132 AromaticContact CD2-CE2 3.49Å; Y90-Y132 HydrophobicContact CD2-CE2 3.49Å; Y90-Y132 VanDerWaalsContact CD2-CE2 3.49Å; Y90-Y132 AromaticContact CE2-CD2 3.62Å; Y90-Y132 HydrophobicContact CE2-CD2 3.62Å; Y90-Y132 AromaticContact CE2-CE2 3.59Å; Y90-Y132 HydrophobicContact CE2-CE2 3.59Å; Y90-Y132 AromaticContact CG-CD2 3.71Å; Y90-Y132 HydrophobicContact CG-CD2 3.71Å; Y90-Y132 HydrophobicContact CG-CE2 4.33Å; V93-Y132 HydrophobicContact CG1-CD1 4.29Å; V93-Y132 HydrophobicContact CG2-CG 4.39Å; F94-Y132 PolarHBondContact N-O 2.76Å; F95-Y132 PolarHBondContact N-O 2.92Å; F95-Y132 CarbonylContact O-C 3.53Å; F95-Y132 WeakPolarHBondContact O-CA 3.47Å; V96-Y132 HydrophobicContact CG1-CD1 4.26Å; H129-Y132 AromaticContact CE1-CD1 3.62Å; H129-Y132 AromaticContact CE1-CD2 3.93Å; H129-Y132 AromaticContact CE1-CE1 3.44Å; H129-Y132 VanDerWaalsContact CE1-CE1 3.44Å; H129-Y132 WeakPolarHBondContact CE1-CE1 3.48Å; H129-Y132 AromaticContact CE1-CE2 3.75Å; H129-Y132 AromaticContact CE1-CG 3.87Å; H129-Y132 AromaticContact CE1-CZ 3.52Å; H129-Y132 AromaticContact ND1-CD1 4Å; H129-Y132 PolarHBondContact ND1-N 2.8Å; H129-Y132 AromaticContact NE2-CD1 3.62Å; H129-Y132 AromaticContact NE2-CE1 3.25Å; H129-Y132 VanDerWaalsContact NE2-CE1 3.25Å; H129-Y132 WeakPolarHBondContact NE2-CE1 3.33Å; H129-Y132 AromaticContact NE2-CZ 3.68Å; I130-Y132 PolarHBondContact O-N 2.96Å; I130-Y132 VanDerWaalsContact O-N 3.12Å
133	R	98.5	Very high	96.8	Very high	27 Å²	27	45.6 Å²	45.6	10%	0.102	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.1	-45.4	-173.8	176.4	174.8	168.1	-162.6	-9.9	113.4	F94 I130 A131 D153 H154 K155 Y156 D201	F94-R133 HydrophobicContact CD2-CB 4.04Å; F94-R133 HydrophobicContact CD2-CG 4.07Å; I130-R133 PolarHBondContact O-N 3.34Å; I130-R133 VanDerWaalsContact O-N 3.11Å; A131-R133 PolarHBondContact O-N 3.01Å; R133-D153 WeakPolarHBondContact CG-OD1 3.45Å; R133-D153 IonicContact CZ-OD1 2.7Å; R133-D153 IonicContact CZ-OD2 2.73Å; R133-D153 IonicContact NE-OD1 3.65Å; R133-D153 PolarHBondContact NE-OD1 3.11Å; R133-D153 IonicContact NE-OD2 3.95Å; R133-D153 PolarHBondContact NE-OD2 2.82Å; R133-D153 IonicContact NH2-OD1 2.87Å; R133-D153 IonicContact NH2-OD2 3.73Å; R133-D153 PolarHBondContact NH2-OD2 2.99Å; R133-H154 WeakPolarHBondContact O-CB 3.09Å; R133-H154 PolarHBondContact O-N 3.03Å; R133-K155 HydrophobicContact CG-CB 4.21Å; R133-Y156 VanDerWaalsContact NH2-CD2 3.28Å; R133-D201 IonicContact CZ-OD2 3.59Å; R133-D201 IonicContact NH1-OD2 3.44Å; R133-D201 PolarHBondContact NH1-OD2 3.48Å; R133-D201 IonicContact NH2-OD2 2.83Å
134	Y	98.8	Very high	96.3	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.9	-173.6	-53.9	-84.2	0	0	0	110.1	H129 I130 F152 D153 V160 L162 D201 F203 T212	H129-Y134 CarbonylContact C-O 3.54Å; H129-Y134 WeakPolarHBondContact CA-O 3.25Å; I130-Y134 PolarHBondContact N-O 3.47Å; I130-Y134 PolarHBondContact O-N 3.15Å; Y134-F152 CarbonylContact C-O 3.5Å; Y134-F152 WeakPolarHBondContact CA-O 3.49Å; Y134-D153 HydrophobicContact CD1-CB 3.85Å; Y134-D153 HydrophobicContact CE1-CB 3.83Å; Y134-V160 HydrophobicContact CD1-CG2 3.96Å; Y134-V160 HydrophobicContact CE1-CG2 4.16Å; Y134-L162 HydrophobicContact CD1-CD1 4.24Å; Y134-L162 HydrophobicContact CD2-CD1 3.85Å; Y134-L162 HydrophobicContact CE2-CD1 4.49Å; Y134-L162 HydrophobicContact CG-CD1 3.7Å; Y134-D201 PolarHBondContact OH-OD2 3.27Å; Y134-F203 HydrophobicContact CD2-CE1 4.2Å; Y134-F203 AromaticContact CD2-CZ 3.78Å; Y134-F203 HydrophobicContact CD2-CZ 3.78Å; Y134-F203 HydrophobicContact CE2-CD1 4.47Å; Y134-F203 AromaticContact CE2-CE1 3.39Å; Y134-F203 HydrophobicContact CE2-CE1 3.39Å; Y134-F203 AromaticContact CE2-CZ 3.45Å; Y134-F203 HydrophobicContact CE2-CZ 3.45Å; Y134-F203 VanDerWaalsContact CE2-CZ 3.45Å; Y134-F203 AromaticContact CZ-CE1 4Å; Y134-T212 HydrophobicContact CD1-CG2 4.48Å; Y134-T212 HydrophobicContact CE1-CG2 3.84Å; Y134-T212 HydrophobicContact CE2-CG2 4.33Å
135	E	98.7	Very high	95.8	Very high	34 Å²	34	45.1 Å²	45.1	16%	0.159	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	126.7	172.4	179.1	-179.4	169.6	0	0	110.4	F95 H127 L137 A151 F152 H154	F95-E135 HydrophobicContact CD1-CB 3.91Å; F95-E135 HydrophobicContact CD1-CG 4.48Å; F95-E135 HydrophobicContact CE1-CB 3.54Å; F95-E135 HydrophobicContact CE1-CG 3.63Å; F95-E135 HydrophobicContact CE2-CB 4.46Å; F95-E135 HydrophobicContact CE2-CG 4.42Å; F95-E135 HydrophobicContact CZ-CB 3.84Å; F95-E135 HydrophobicContact CZ-CG 3.58Å; H127-E135 IonicContact CE1-OE1 3.3Å; H127-E135 IonicContact CG-OE1 3.84Å; H127-E135 IonicContact ND1-OE1 3.76Å; H127-E135 PolarHBondContact ND1-OE1 2.81Å; E135-L137 HydrophobicContact CG-CD2 3.98Å; E135-L137 PolarHBondContact O-N 3.21Å; E135-A151 CarbonylContact O-C 3.49Å; E135-A151 WeakPolarHBondContact O-CA 3.42Å; E135-A151 VanDerWaalsContact O-CB 3.26Å; E135-A151 WeakPolarHBondContact O-CB 3.5Å; E135-F152 HydrophobicContact CB-CB 4.35Å; E135-F152 PolarHBondContact N-O 2.9Å; E135-F152 PolarHBondContact O-N 2.8Å; E135-H154 IonicContact OE2-CE1 3.5Å; E135-H154 IonicContact OE2-NE2 3.86Å; E135-H154 PolarHBondContact OE2-NE2 2.92Å
136	V	98.6	Very high	95.5	Very high	3 Å²	3	44 Å²	44	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.3	176.5	-179.5	0	0	0	0	110	L124 V125 H127 D128 I130 I149	L124-V136 HydrophobicContact CD2-CG1 4.22Å; L124-V136 HydrophobicContact CD2-CG2 4.31Å; V125-V136 WeakPolarHBondContact O-CB 3.42Å; H127-V136 WeakPolarHBondContact CA-O 3.25Å; H127-V136 PolarHBondContact N-O 3.46Å; D128-V136 WeakPolarHBondContact O-CG2 3.4Å; D128-V136 PolarHBondContact O-N 2.97Å; I130-V136 HydrophobicContact CD1-CG2 4.17Å; I130-V136 HydrophobicContact CG1-CG2 3.78Å; V136-I149 HydrophobicContact CB-CD1 4.23Å; V136-I149 HydrophobicContact CG1-CD1 4.03Å; V136-I149 HydrophobicContact CG2-CD1 3.8Å
137	L	98.3	Very high	95.4	Very high	42 Å²	42	41.4 Å²	41.4	22%	0.22	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-54.2	179.6	-58.8	175.3	0	0	0	112.9	V126 E135 K150 F152 Y159	V126-L137 WeakPolarHBondContact CG1-O 3.48Å; E135-L137 HydrophobicContact CG-CD2 3.98Å; E135-L137 PolarHBondContact O-N 3.21Å; L137-K150 WeakPolarHBondContact CB-O 3.3Å; L137-K150 HydrophobicContact CD1-CG 4.39Å; L137-K150 PolarHBondContact N-O 2.88Å; L137-K150 VanDerWaalsContact N-O 3.08Å; L137-F152 HydrophobicContact CD1-CB 4.13Å; L137-Y159 HydrophobicContact CD1-CD1 3.78Å; L137-Y159 HydrophobicContact CD1-CE1 3.49Å; L137-Y159 VanDerWaalsContact CD1-CE1 3.49Å
138	K	97.4	Very high	95.4	Very high	141 Å²	141	38.9 Å²	38.9	61%	0.613	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-154.5	139	-173.2	-176.4	177.3	178.5	178.9	0	111.2	I140 I149 K150	K138-I140 PolarHBondContact O-N 3.15Å; K138-I149 CarbonylContact O-C 3.59Å; K138-I149 VanDerWaalsContact O-CA 3.25Å; K138-I149 WeakPolarHBondContact O-CA 3.44Å; K138-K150 PolarHBondContact N-O 3.06Å; K138-K150 PolarHBondContact O-N 3.49Å
139	V	97	Very high	95.4	Very high	52 Å²	52	38.7 Å²	38.7	32%	0.315	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.5	167.4	-173.1	0	0	0	0	109.9	L124 G141 K142 I149	L124-V139 HydrophobicContact CD1-CG2 3.64Å; V139-G141 WeakPolarHBondContact CG1-O 3.47Å; V139-K142 HydrophobicContact CG1-CD 4.24Å; V139-K142 HydrophobicContact CG1-CG 3.61Å; V139-I149 HydrophobicContact CG2-CG2 4.23Å
140	I	95.1	Very high	95.4	Very high	82 Å²	82	41.8 Å²	41.8	42%	0.421	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-12.6	179.4	60.2	176.4	0	0	0	113	K138 V148 K150 A161 L215	K138-I140 PolarHBondContact O-N 3.15Å; I140-V148 HydrophobicContact CD1-CG1 3.96Å; I140-V148 HydrophobicContact CG1-CB 4.19Å; I140-V148 HydrophobicContact CG1-CG1 3.84Å; I140-V148 WeakPolarHBondContact CG1-O 3.33Å; I140-V148 PolarHBondContact N-O 3.03Å; I140-K150 HydrophobicContact CD1-CB 4.5Å; I140-K150 HydrophobicContact CG2-CB 3.89Å; I140-A161 HydrophobicContact CD1-CB 4.04Å; I140-L215 HydrophobicContact CD1-CD1 3.98Å
141	G	92.8	Very high	95.4	Very high	29 Å²	29	41.7 Å²	41.7	30%	0.299	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	147.8	171.4	0	0	0	0	0	112.2	V139 V148	V139-G141 WeakPolarHBondContact CG1-O 3.47Å; G141-V148 PolarHBondContact N-O 3.39Å; G141-V148 PolarHBondContact O-N 3.28Å
142	K	90.9	Very high	95.4	Very high	151 Å²	151	42.8 Å²	42.8	66%	0.657	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.6	171.1	-64.3	-167.9	176.3	-172.6	0	109.1	V139 Q147	V139-K142 HydrophobicContact CG1-CD 4.24Å; V139-K142 HydrophobicContact CG1-CG 3.61Å; K142-Q147 HydrophobicContact CG-CG 4.14Å
143	G	87	Confident	95.4	Very high	51 Å²	51	43 Å²	43	53%	0.526	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	-172.4	177.2	0	0	0	0	0	112.3	F145 G146	G143-F145 PolarHBondContact O-N 2.86Å; G143-G146 PolarHBondContact N-O 3.08Å; G143-G146 PolarHBondContact O-N 3.42Å; G143-G146 VanDerWaalsContact O-N 3.12Å; G143-G146 VanDerWaalsContact O-O 3.11Å
144	S	86	Confident	95.4	Very high	70 Å²	70	43.1 Å²	43.1	49%	0.49	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-33.9	178.9	47.2	0	0	0	0	113.1	G146 F171	S144-G146 VanDerWaalsContact C-N 3.28Å; S144-G146 PolarHBondContact O-N 3.04Å; S144-F171 WeakPolarHBondContact O-CE2 3.34Å; S144-F171 WeakPolarHBondContact O-CZ 3.35Å
145	F	85.9	Confident	95.3	Very high	43 Å²	43	46 Å²	46	19%	0.189	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.9	-178.5	-57.9	-89.1	0	0	0	113.9	G143 V165 R166 F171	G143-F145 PolarHBondContact O-N 2.86Å; F145-V165 WeakPolarHBondContact O-CA 3.23Å; F145-R166 PolarHBondContact O-N 2.79Å; F145-F171 HydrophobicContact CB-CD1 4.5Å; F145-F171 AromaticContact CD1-CD1 3.84Å; F145-F171 HydrophobicContact CD1-CD1 3.84Å; F145-F171 HydrophobicContact CD1-CE1 4Å; F145-F171 HydrophobicContact CE1-CE1 4.48Å; F145-F171 HydrophobicContact CG-CD1 4.43Å; F145-F171 HydrophobicContact CG-CE1 4.4Å
146	G	92.7	Very high	95.3	Very high	9 Å²	9	50.2 Å²	50.2	9%	0.093	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.7	-141.3	-174	0	0	0	0	0	112.2	G143 S144 L164	G143-G146 PolarHBondContact N-O 3.08Å; G143-G146 PolarHBondContact O-N 3.42Å; G143-G146 VanDerWaalsContact O-N 3.12Å; G143-G146 VanDerWaalsContact O-O 3.11Å; S144-G146 VanDerWaalsContact C-N 3.28Å; S144-G146 PolarHBondContact O-N 3.04Å; G146-L164 WeakPolarHBondContact CA-O 3.41Å
147	Q	95.8	Very high	95.2	Very high	23 Å²	23	54.8 Å²	54.8	11%	0.107	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.5	-169.9	-55.4	-176.4	-7.3	0	0	111.1	K142 K163 L164	K142-Q147 HydrophobicContact CG-CG 4.14Å; Q147-K163 CarbonylContact O-C 3.55Å; Q147-K163 WeakPolarHBondContact O-CA 3.44Å; Q147-L164 PolarHBondContact N-O 2.95Å; Q147-L164 PolarHBondContact O-N 2.95Å
148	V	97.7	Very high	95.2	Very high	40 Å²	40	56.8 Å²	56.8	24%	0.242	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.4	172.8	-171.7	0	0	0	0	108.3	I140 G141 A161 L162 K163	I140-V148 HydrophobicContact CD1-CG1 3.96Å; I140-V148 HydrophobicContact CG1-CB 4.19Å; I140-V148 HydrophobicContact CG1-CG1 3.84Å; I140-V148 WeakPolarHBondContact CG1-O 3.33Å; I140-V148 PolarHBondContact N-O 3.03Å; G141-V148 PolarHBondContact N-O 3.39Å; G141-V148 PolarHBondContact O-N 3.28Å; V148-A161 HydrophobicContact CG1-CB 4.19Å; V148-L162 CarbonylContact C-O 3.14Å; V148-L162 WeakPolarHBondContact CA-O 3.19Å; V148-K163 HydrophobicContact CG2-CB 4.14Å; V148-K163 HydrophobicContact CG2-CG 4.07Å
149	I	98.4	Very high	95.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.6	179	63.7	172.7	0	0	0	111	L124 I130 V136 K138 V139 A151 A161 L162 L164	L124-I149 HydrophobicContact CD1-CG2 3.32Å; L124-I149 HydrophobicContact CD2-CD1 4.35Å; L124-I149 HydrophobicContact CD2-CG2 4.12Å; L124-I149 HydrophobicContact CG-CG2 4.38Å; I130-I149 HydrophobicContact CG1-CD1 4.5Å; V136-I149 HydrophobicContact CB-CD1 4.23Å; V136-I149 HydrophobicContact CG1-CD1 4.03Å; V136-I149 HydrophobicContact CG2-CD1 3.8Å; K138-I149 CarbonylContact O-C 3.59Å; K138-I149 VanDerWaalsContact O-CA 3.25Å; K138-I149 WeakPolarHBondContact O-CA 3.44Å; V139-I149 HydrophobicContact CG2-CG2 4.23Å; I149-A151 HydrophobicContact CD1-CB 4.13Å; I149-A151 HydrophobicContact CG1-CB 4.29Å; I149-A161 CarbonylContact O-C 3.56Å; I149-A161 WeakPolarHBondContact O-CA 3.42Å; I149-L162 HydrophobicContact CD1-CB 4.31Å; I149-L162 HydrophobicContact CD1-CD2 4.39Å; I149-L162 HydrophobicContact CG1-CB 3.79Å; I149-L162 HydrophobicContact CG1-CD2 4.38Å; I149-L162 WeakPolarHBondContact CG1-O 3.19Å; I149-L162 PolarHBondContact N-O 3.27Å; I149-L162 PolarHBondContact O-N 3Å; I149-L164 HydrophobicContact CD1-CD1 4.07Å; I149-L164 HydrophobicContact CG1-CD1 4.09Å; I149-L164 HydrophobicContact CG2-CD1 4.27Å
150	K	98.5	Very high	95.3	Very high	66 Å²	66	53.4 Å²	53.4	29%	0.287	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.8	153.9	-177.8	179	178.9	-177.2	0	106.9	L137 K138 I140 Y159 L215	L137-K150 WeakPolarHBondContact CB-O 3.3Å; L137-K150 HydrophobicContact CD1-CG 4.39Å; L137-K150 PolarHBondContact N-O 2.88Å; L137-K150 VanDerWaalsContact N-O 3.08Å; K138-K150 PolarHBondContact N-O 3.06Å; K138-K150 PolarHBondContact O-N 3.49Å; I140-K150 HydrophobicContact CD1-CB 4.5Å; I140-K150 HydrophobicContact CG2-CB 3.89Å; K150-Y159 HydrophobicContact CD-CD1 4.49Å; K150-Y159 HydrophobicContact CG-CD1 4.46Å; K150-L215 HydrophobicContact CD-CD2 4.05Å; K150-L215 HydrophobicContact CG-CD1 4.47Å; K150-L215 HydrophobicContact CG-CD2 4.01Å
151	A	98.8	Very high	95.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.3	175.8	0	0	0	0	0	111	E135 I149 Y159 V160 L162	E135-A151 CarbonylContact O-C 3.49Å; E135-A151 WeakPolarHBondContact O-CA 3.42Å; E135-A151 VanDerWaalsContact O-CB 3.26Å; E135-A151 WeakPolarHBondContact O-CB 3.5Å; I149-A151 HydrophobicContact CD1-CB 4.13Å; I149-A151 HydrophobicContact CG1-CB 4.29Å; A151-Y159 WeakPolarHBondContact O-CA 3.4Å; A151-V160 HydrophobicContact CB-CG2 4.1Å; A151-V160 PolarHBondContact N-O 3.21Å; A151-V160 PolarHBondContact O-N 3.27Å; A151-L162 HydrophobicContact CB-CB 4.35Å
152	F	98.7	Very high	95.8	Very high	33 Å²	33	48.6 Å²	48.6	15%	0.145	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.9	169.3	-170.9	-104.2	0	0	0	109.6	Y134 E135 L137 H154 Q157 Y159	Y134-F152 CarbonylContact C-O 3.5Å; Y134-F152 WeakPolarHBondContact CA-O 3.49Å; E135-F152 HydrophobicContact CB-CB 4.35Å; E135-F152 PolarHBondContact N-O 2.9Å; E135-F152 PolarHBondContact O-N 2.8Å; L137-F152 HydrophobicContact CD1-CB 4.13Å; F152-H154 AromaticContact CD1-CD2 3.78Å; F152-H154 AromaticContact CD1-CE1 3.88Å; F152-H154 AromaticContact CD1-NE2 3.66Å; F152-H154 PolarHBondContact O-N 3.48Å; F152-Q157 HydrophobicContact CZ-CB 4.22Å; F152-Y159 HydrophobicContact CB-CD1 4.32Å; F152-Y159 HydrophobicContact CB-CE1 4.33Å; F152-Y159 AromaticContact CD2-CD1 3.82Å; F152-Y159 HydrophobicContact CD2-CD1 3.82Å; F152-Y159 HydrophobicContact CD2-CD2 4.37Å; F152-Y159 AromaticContact CD2-CE1 3.73Å; F152-Y159 HydrophobicContact CD2-CE1 3.73Å; F152-Y159 HydrophobicContact CD2-CE2 4.27Å; F152-Y159 HydrophobicContact CD2-CG 4.16Å; F152-Y159 AromaticContact CD2-CZ 3.96Å; F152-Y159 HydrophobicContact CE2-CE2 4.41Å; F152-Y159 HydrophobicContact CG-CE1 4.46Å
153	D	98.7	Very high	96.1	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	105.6	177.2	-177.2	-11.5	0	0	0	109.9	R133 Y134 K155 Y156 Q157 Q158 V160	R133-D153 WeakPolarHBondContact CG-OD1 3.45Å; R133-D153 IonicContact CZ-OD1 2.7Å; R133-D153 IonicContact CZ-OD2 2.73Å; R133-D153 IonicContact NE-OD1 3.65Å; R133-D153 PolarHBondContact NE-OD1 3.11Å; R133-D153 IonicContact NE-OD2 3.95Å; R133-D153 PolarHBondContact NE-OD2 2.82Å; R133-D153 IonicContact NH2-OD1 2.87Å; R133-D153 IonicContact NH2-OD2 3.73Å; R133-D153 PolarHBondContact NH2-OD2 2.99Å; Y134-D153 HydrophobicContact CD1-CB 3.85Å; Y134-D153 HydrophobicContact CE1-CB 3.83Å; D153-K155 PolarHBondContact O-N 3.07Å; D153-K155 VanDerWaalsContact OD1-CB 3.32Å; D153-K155 WeakPolarHBondContact OD1-CB 3.42Å; D153-K155 PolarHBondContact OD1-N 3.02Å; D153-Y156 WeakPolarHBondContact OD2-CD2 3.38Å; D153-Q157 VanDerWaalsContact O-CA 3.28Å; D153-Q157 WeakPolarHBondContact O-CA 3.34Å; D153-Q157 PolarHBondContact O-N 3.06Å; D153-Q158 HydrophobicContact CB-CG 4.28Å; D153-Q158 PolarHBondContact N-O 3.37Å; D153-Q158 PolarHBondContact O-N 3.16Å; D153-V160 HydrophobicContact CB-CG1 4.32Å
154	H	98.3	Very high	96.6	Very high	31 Å²	31	39.9 Å²	39.9	14%	0.144	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.5	-177.6	-77.5	-95.5	0	0	0	114.1	N63 F94 F95 R133 E135 F152 Q157	N63-H154 PolarHBondContact ND2-O 3.19Å; F94-H154 HydrophobicContact CB-CB 3.88Å; F95-H154 HydrophobicContact CB-CB 4.05Å; F95-H154 AromaticContact CD2-CD2 3.69Å; F95-H154 AromaticContact CD2-CE1 3.52Å; F95-H154 AromaticContact CD2-NE2 3.3Å; F95-H154 VanDerWaalsContact CD2-NE2 3.3Å; F95-H154 WeakPolarHBondContact CD2-NE2 3.25Å; F95-H154 AromaticContact CE2-CE1 3.93Å; F95-H154 AromaticContact CE2-NE2 3.65Å; F95-H154 AromaticContact CG-CD2 3.56Å; F95-H154 AromaticContact CG-NE2 3.64Å; R133-H154 WeakPolarHBondContact O-CB 3.09Å; R133-H154 PolarHBondContact O-N 3.03Å; E135-H154 IonicContact OE2-CE1 3.5Å; E135-H154 IonicContact OE2-NE2 3.86Å; E135-H154 PolarHBondContact OE2-NE2 2.92Å; F152-H154 AromaticContact CD1-CD2 3.78Å; F152-H154 AromaticContact CD1-CE1 3.88Å; F152-H154 AromaticContact CD1-NE2 3.66Å; F152-H154 PolarHBondContact O-N 3.48Å; H154-Q157 PolarHBondContact O-NE2 2.61Å
155	K	97.3	Very high	97.2	Very high	62 Å²	62	36.8 Å²	36.8	27%	0.27	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-49.4	174.6	-179.2	-177.6	-178.8	-169.6	0	111.3	N63 F94 R133 D153	N63-K155 PolarHBondContact N-O 3.27Å; F94-K155 HydrophobicContact CD1-CB 3.9Å; F94-K155 HydrophobicContact CD1-CG 4.23Å; F94-K155 HydrophobicContact CD2-CB 4.29Å; F94-K155 HydrophobicContact CE1-CB 3.9Å; F94-K155 HydrophobicContact CE1-CD 4.33Å; F94-K155 HydrophobicContact CE1-CG 3.71Å; F94-K155 HydrophobicContact CE2-CB 4.29Å; F94-K155 HydrophobicContact CE2-CD 4.25Å; F94-K155 HydrophobicContact CE2-CG 4.36Å; F94-K155 HydrophobicContact CG-CB 4.1Å; F94-K155 HydrophobicContact CZ-CB 4.09Å; F94-K155 HydrophobicContact CZ-CD 3.87Å; F94-K155 HydrophobicContact CZ-CG 3.78Å; R133-K155 HydrophobicContact CG-CB 4.21Å; D153-K155 PolarHBondContact O-N 3.07Å; D153-K155 VanDerWaalsContact OD1-CB 3.32Å; D153-K155 WeakPolarHBondContact OD1-CB 3.42Å; D153-K155 PolarHBondContact OD1-N 3.02Å
156	Y	96.9	Very high	97.7	Very high	123 Å²	123	36.9 Å²	36.9	48%	0.482	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	0.5	-175.2	-63.5	-59.5	0	0	0	114.1	R133 D153 Q158	R133-Y156 VanDerWaalsContact NH2-CD2 3.28Å; D153-Y156 WeakPolarHBondContact OD2-CD2 3.38Å; Y156-Q158 PolarHBondContact O-N 2.9Å
157	Q	97.4	Very high	97.9	Very high	98 Å²	98	38.8 Å²	38.8	46%	0.458	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	47.8	177.2	-61.6	-66	-53.7	0	0	113	F152 D153 H154	F152-Q157 HydrophobicContact CZ-CB 4.22Å; D153-Q157 VanDerWaalsContact O-CA 3.28Å; D153-Q157 WeakPolarHBondContact O-CA 3.34Å; D153-Q157 PolarHBondContact O-N 3.06Å; H154-Q157 PolarHBondContact O-NE2 2.61Å
158	Q	97.6	Very high	97.9	Very high	84 Å²	84	40.8 Å²	40.8	39%	0.393	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.9	-178	63.8	179.5	-31.9	0	0	112.5	D153 Y156 V160	D153-Q158 HydrophobicContact CB-CG 4.28Å; D153-Q158 PolarHBondContact N-O 3.37Å; D153-Q158 PolarHBondContact O-N 3.16Å; Y156-Q158 PolarHBondContact O-N 2.9Å; Q158-V160 HydrophobicContact CG-CG1 4.22Å
159	Y	98.4	Very high	97.7	Very high	122 Å²	122	47.8 Å²	47.8	48%	0.478	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.8	172	-64.9	-78.7	0	0	0	111.1	L137 K150 A151 F152	L137-Y159 HydrophobicContact CD1-CD1 3.78Å; L137-Y159 HydrophobicContact CD1-CE1 3.49Å; L137-Y159 VanDerWaalsContact CD1-CE1 3.49Å; K150-Y159 HydrophobicContact CD-CD1 4.49Å; K150-Y159 HydrophobicContact CG-CD1 4.46Å; A151-Y159 WeakPolarHBondContact O-CA 3.4Å; F152-Y159 HydrophobicContact CB-CD1 4.32Å; F152-Y159 HydrophobicContact CB-CE1 4.33Å; F152-Y159 AromaticContact CD2-CD1 3.82Å; F152-Y159 HydrophobicContact CD2-CD1 3.82Å; F152-Y159 HydrophobicContact CD2-CD2 4.37Å; F152-Y159 AromaticContact CD2-CE1 3.73Å; F152-Y159 HydrophobicContact CD2-CE1 3.73Å; F152-Y159 HydrophobicContact CD2-CE2 4.27Å; F152-Y159 HydrophobicContact CD2-CG 4.16Å; F152-Y159 AromaticContact CD2-CZ 3.96Å; F152-Y159 HydrophobicContact CE2-CE2 4.41Å; F152-Y159 HydrophobicContact CG-CE1 4.46Å
160	V	98.7	Very high	97.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	159.3	179	-59.9	0	0	0	0	110.8	Y134 A151 D153 Q158 L200	Y134-V160 HydrophobicContact CD1-CG2 3.96Å; Y134-V160 HydrophobicContact CE1-CG2 4.16Å; A151-V160 HydrophobicContact CB-CG2 4.1Å; A151-V160 PolarHBondContact N-O 3.21Å; A151-V160 PolarHBondContact O-N 3.27Å; D153-V160 HydrophobicContact CB-CG1 4.32Å; Q158-V160 HydrophobicContact CG-CG1 4.22Å; V160-L200 HydrophobicContact CG1-CD1 3.78Å
161	A	98.7	Very high	97.1	Very high	10 Å²	10	51.4 Å²	51.4	8%	0.083	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.1	160.7	0	0	0	0	0	108.5	I140 V148 I149 T212 F213 L215	I140-A161 HydrophobicContact CD1-CB 4.04Å; V148-A161 HydrophobicContact CG1-CB 4.19Å; I149-A161 CarbonylContact O-C 3.56Å; I149-A161 WeakPolarHBondContact O-CA 3.42Å; A161-T212 CarbonylContact O-C 3.6Å; A161-T212 WeakPolarHBondContact O-CA 3.31Å; A161-F213 HydrophobicContact CB-CB 4.33Å; A161-F213 PolarHBondContact N-O 2.89Å; A161-F213 PolarHBondContact O-N 3.45Å; A161-L215 HydrophobicContact CB-CD1 4.08Å
162	L	98.7	Very high	97	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.8	179.3	-170.2	163.8	0	0	0	108.9	I130 Y134 V148 I149 A151 L164 F203 C210 I211 T212	I130-L162 HydrophobicContact CB-CD1 4.26Å; I130-L162 HydrophobicContact CG2-CD1 4.06Å; Y134-L162 HydrophobicContact CD1-CD1 4.24Å; Y134-L162 HydrophobicContact CD2-CD1 3.85Å; Y134-L162 HydrophobicContact CE2-CD1 4.49Å; Y134-L162 HydrophobicContact CG-CD1 3.7Å; V148-L162 CarbonylContact C-O 3.14Å; V148-L162 WeakPolarHBondContact CA-O 3.19Å; I149-L162 HydrophobicContact CD1-CB 4.31Å; I149-L162 HydrophobicContact CD1-CD2 4.39Å; I149-L162 HydrophobicContact CG1-CB 3.79Å; I149-L162 HydrophobicContact CG1-CD2 4.38Å; I149-L162 WeakPolarHBondContact CG1-O 3.19Å; I149-L162 PolarHBondContact N-O 3.27Å; I149-L162 PolarHBondContact O-N 3Å; A151-L162 HydrophobicContact CB-CB 4.35Å; L162-L164 HydrophobicContact CD2-CD1 3.42Å; L162-L164 VanDerWaalsContact CD2-CD1 3.42Å; L162-L164 HydrophobicContact CD2-CD2 4.48Å; L162-L164 HydrophobicContact CD2-CG 3.59Å; L162-F203 HydrophobicContact CD1-CZ 4.27Å; L162-C210 HydrophobicContact CD2-CB 4.33Å; L162-I211 WeakPolarHBondContact CA-O 3.49Å; L162-T212 HydrophobicContact CB-CG2 4.19Å; L162-T212 HydrophobicContact CD1-CG2 3.97Å; L162-T212 HydrophobicContact CG-CG2 3.82Å
163	K	98.3	Very high	96.7	Very high	16 Å²	16	60.1 Å²	60.1	7%	0.07	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.1	175.2	-175.1	178	-168	177.3	0	108.7	Q147 V148 E178 C210 I211 F213 D280	Q147-K163 CarbonylContact O-C 3.55Å; Q147-K163 WeakPolarHBondContact O-CA 3.44Å; V148-K163 HydrophobicContact CG2-CB 4.14Å; V148-K163 HydrophobicContact CG2-CG 4.07Å; K163-E178 VanDerWaalsContact NZ-CD 3.26Å; K163-E178 IonicContact NZ-OE1 3.34Å; K163-E178 PolarHBondContact NZ-OE1 3.22Å; K163-E178 IonicContact NZ-OE2 2.85Å; K163-E178 PolarHBondContact NZ-OE2 3.43Å; K163-C210 CarbonylContact O-C 3.31Å; K163-C210 VanDerWaalsContact O-CA 3.29Å; K163-C210 WeakPolarHBondContact O-CA 3.28Å; K163-I211 HydrophobicContact CB-CB 4.49Å; K163-I211 PolarHBondContact N-O 3.47Å; K163-I211 PolarHBondContact O-N 3.43Å; K163-F213 HydrophobicContact CB-CE2 3.9Å; K163-F213 HydrophobicContact CD-CE2 4.26Å; K163-D280 IonicContact NZ-OD1 3.34Å; K163-D280 PolarHBondContact NZ-OD1 2.87Å; K163-D280 VanDerWaalsContact NZ-OD1 3.15Å
164	L	98.1	Very high	96.4	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.7	168.3	-60.2	94.6	0	0	0	108.3	Y122 L124 I130 G146 Q147 I149 L162	Y122-L164 HydrophobicContact CD1-CD2 3.87Å; Y122-L164 HydrophobicContact CG-CD2 4.05Å; L124-L164 HydrophobicContact CD2-CD1 4.07Å; L124-L164 HydrophobicContact CD2-CD2 4.22Å; I130-L164 HydrophobicContact CD1-CD2 4.03Å; G146-L164 WeakPolarHBondContact CA-O 3.41Å; Q147-L164 PolarHBondContact N-O 2.95Å; Q147-L164 PolarHBondContact O-N 2.95Å; I149-L164 HydrophobicContact CD1-CD1 4.07Å; I149-L164 HydrophobicContact CG1-CD1 4.09Å; I149-L164 HydrophobicContact CG2-CD1 4.27Å; L162-L164 HydrophobicContact CD2-CD1 3.42Å; L162-L164 VanDerWaalsContact CD2-CD1 3.42Å; L162-L164 HydrophobicContact CD2-CD2 4.48Å; L162-L164 HydrophobicContact CD2-CG 3.59Å
165	V	97.8	Very high	96.3	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	135.8	179.8	-178.7	0	0	0	0	108.9	F145 F171 A175 H208 K209	F145-V165 WeakPolarHBondContact O-CA 3.23Å; V165-F171 HydrophobicContact CG1-CB 3.64Å; V165-A175 HydrophobicContact CB-CB 4.41Å; V165-A175 HydrophobicContact CG1-CB 4.1Å; V165-A175 HydrophobicContact CG2-CB 3.71Å; V165-H208 PolarHBondContact O-ND1 3.38Å; V165-K209 HydrophobicContact CB-CB 4.05Å; V165-K209 WeakPolarHBondContact CB-O 3.18Å; V165-K209 HydrophobicContact CG2-CB 4.1Å; V165-K209 WeakPolarHBondContact CG2-O 3.32Å; V165-K209 PolarHBondContact N-O 2.92Å
166	R	96.9	Very high	96.2	Very high	45 Å²	45	60.1 Å²	60.1	17%	0.17	26%	0.26	C	S	.	.			trans	-54.7	139.3	176.4	-160.2	173.7	-176.5	-165.4	-17.3	111.1	N119 G120 F145 E168 F171 H172	N119-R166 VanDerWaalsContact CA-NH2 3.25Å; N119-R166 PolarHBondContact O-NE 3.28Å; N119-R166 PolarHBondContact O-NH2 2.96Å; N119-R166 PolarHBondContact OD1-NH2 2.79Å; N119-R166 VanDerWaalsContact OD1-NH2 3.13Å; G120-R166 VanDerWaalsContact O-CG 3.22Å; G120-R166 WeakPolarHBondContact O-CG 3.09Å; F145-R166 PolarHBondContact O-N 2.79Å; R166-E168 VanDerWaalsContact CD-OE1 3.23Å; R166-E168 WeakPolarHBondContact CD-OE1 3.15Å; R166-E168 HydrophobicContact CG-CG 4.32Å; R166-E168 IonicContact CZ-OE1 3.5Å; R166-E168 IonicContact NE-OE1 2.77Å; R166-E168 PolarHBondContact NE-OE1 2.83Å; R166-E168 IonicContact NH1-OE1 3.36Å; R166-E168 PolarHBondContact NH1-OE1 3.03Å; R166-E168 IonicContact NH2-OE1 2.85Å; R166-E168 PolarHBondContact NH2-OE1 2.83Å; R166-E168 PolarHBondContact O-N 2.7Å; R166-F171 HydrophobicContact CB-CD2 3.85Å; R166-F171 HydrophobicContact CB-CE2 4.46Å; R166-F171 HydrophobicContact CB-CG 4.37Å; R166-F171 HydrophobicContact CG-CD2 4.36Å; R166-H172 PolarHBondContact O-CD2 3.12Å
167	N	96.7	Very high	96.1	Very high	49 Å²	49	56.8 Å²	56.8	26%	0.262	25%	0.249	S	C	.	.	S	Bend	trans	-76.3	65.4	-176.2	-174.7	11.8	0	0	0	111.3	D116 G120 N207	D116-N167 WeakPolarHBondContact OD2-CB 3.46Å; D116-N167 PolarHBondContact OD2-ND2 2.79Å; G120-N167 PolarHBondContact O-N 3.4Å; N167-N207 PolarHBondContact OD1-O 2.85Å
168	E	95.1	Very high	96	Very high	65 Å²	65	52.3 Å²	52.3	30%	0.304	23%	0.228	S	C	.	.	S	Bend	trans	-136.7	141.5	174.6	-55.9	177.3	-146.6	0	0	110.5	R166 R170 F171 H172	R166-E168 VanDerWaalsContact CD-OE1 3.23Å; R166-E168 WeakPolarHBondContact CD-OE1 3.15Å; R166-E168 HydrophobicContact CG-CG 4.32Å; R166-E168 IonicContact CZ-OE1 3.5Å; R166-E168 IonicContact NE-OE1 2.77Å; R166-E168 PolarHBondContact NE-OE1 2.83Å; R166-E168 IonicContact NH1-OE1 3.36Å; R166-E168 PolarHBondContact NH1-OE1 3.03Å; R166-E168 IonicContact NH2-OE1 2.85Å; R166-E168 PolarHBondContact NH2-OE1 2.83Å; R166-E168 PolarHBondContact O-N 2.7Å; E168-R170 PolarHBondContact O-N 2.83Å; E168-F171 HydrophobicContact CB-CD2 3.9Å; E168-F171 HydrophobicContact CG-CD2 4.2Å; E168-F171 PolarHBondContact O-N 3.32Å; E168-H172 PolarHBondContact O-N 2.84Å
169	K	93.8	Very high	96	Very high	187 Å²	187	49 Å²	49	81%	0.813	21%	0.213	S	C	*	.	H	α-helix	trans	-54.1	-33.9	-177.1	-65.9	-177	179.5	179.1	0	113.7	R173	K169-R173 WeakPolarHBondContact O-CG 3.24Å; K169-R173 PolarHBondContact O-N 2.8Å
170	R	91.5	Very high	95.9	Very high	126 Å²	126	48.5 Å²	48.5	48%	0.475	21%	0.21	S	C	.	.	H	α-helix	trans	-66.6	-49.7	178	-179.4	-176.1	175.4	-172	-1.3	111.3	E168 H172 R173 Q174	E168-R170 PolarHBondContact O-N 2.83Å; R170-H172 VanDerWaalsContact C-N 3.33Å; R170-R173 PolarHBondContact O-N 3.48Å; R170-Q174 PolarHBondContact O-N 2.94Å
171	F	93.7	Very high	95.8	Very high	17 Å²	17	48.5 Å²	48.5	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-70.1	-32.2	-179.1	-64.9	-61	0	0	0	111.7	S144 F145 V165 R166 E168 R173 Q174 A175	S144-F171 WeakPolarHBondContact O-CE2 3.34Å; S144-F171 WeakPolarHBondContact O-CZ 3.35Å; F145-F171 HydrophobicContact CB-CD1 4.5Å; F145-F171 AromaticContact CD1-CD1 3.84Å; F145-F171 HydrophobicContact CD1-CD1 3.84Å; F145-F171 HydrophobicContact CD1-CE1 4Å; F145-F171 HydrophobicContact CE1-CE1 4.48Å; F145-F171 HydrophobicContact CG-CD1 4.43Å; F145-F171 HydrophobicContact CG-CE1 4.4Å; V165-F171 HydrophobicContact CG1-CB 3.64Å; R166-F171 HydrophobicContact CB-CD2 3.85Å; R166-F171 HydrophobicContact CB-CE2 4.46Å; R166-F171 HydrophobicContact CB-CG 4.37Å; R166-F171 HydrophobicContact CG-CD2 4.36Å; E168-F171 HydrophobicContact CB-CD2 3.9Å; E168-F171 HydrophobicContact CG-CD2 4.2Å; E168-F171 PolarHBondContact O-N 3.32Å; F171-R173 PolarHBondContact O-N 2.82Å; F171-Q174 PolarHBondContact O-N 2.83Å; F171-A175 WeakPolarHBondContact O-CB 3.44Å; F171-A175 PolarHBondContact O-N 3.47Å
172	H	95.4	Very high	95.7	Very high	41 Å²	41	48.3 Å²	48.3	19%	0.19	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-45.5	172.6	-75.5	-166.9	0	0	0	112.5	R166 E168 R170 Q174 A175 D176 N207 K209	R166-H172 PolarHBondContact O-CD2 3.12Å; E168-H172 PolarHBondContact O-N 2.84Å; R170-H172 VanDerWaalsContact C-N 3.33Å; H172-Q174 VanDerWaalsContact C-N 3.34Å; H172-Q174 PolarHBondContact O-N 2.96Å; H172-A175 PolarHBondContact O-N 3.29Å; H172-D176 PolarHBondContact O-N 3.43Å; H172-N207 PolarHBondContact CE1-O 3.45Å; H172-N207 PolarHBondContact NE2-O 3.43Å; H172-K209 HydrophobicContact CB-CD 4.13Å; H172-K209 WeakPolarHBondContact O-CE 3.18Å
173	R	92.9	Very high	95.6	Very high	175 Å²	175	51.2 Å²	51.2	66%	0.66	22%	0.223	S	C	*	.	H	α-helix	trans	-62.9	-39.4	176	-73.7	-172.3	-70.2	164.1	-3.4	112.7	K169 R170 F171 D176 E177	K169-R173 WeakPolarHBondContact O-CG 3.24Å; K169-R173 PolarHBondContact O-N 2.8Å; R170-R173 PolarHBondContact O-N 3.48Å; F171-R173 PolarHBondContact O-N 2.82Å; R173-D176 PolarHBondContact O-N 3.27Å; R173-E177 PolarHBondContact O-N 3.39Å; R173-E177 VanDerWaalsContact O-N 3.12Å
174	Q	91.9	Very high	95.4	Very high	18 Å²	18	53.1 Å²	53.1	8%	0.084	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-38.9	175.8	-76.7	179	-16.9	0	0	112.1	R170 F171 H172 E177 E178 Y292	R170-Q174 PolarHBondContact O-N 2.94Å; F171-Q174 PolarHBondContact O-N 2.83Å; H172-Q174 VanDerWaalsContact C-N 3.34Å; H172-Q174 PolarHBondContact O-N 2.96Å; Q174-E177 PolarHBondContact O-N 2.74Å; Q174-E178 WeakPolarHBondContact O-CB 3.28Å; Q174-E178 PolarHBondContact O-N 3.43Å; Q174-Y292 PolarHBondContact NE2-OH 3.38Å
175	A	96	Very high	95.3	Very high	2 Å²	2	53 Å²	53	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-38.8	176.3	0	0	0	0	0	112.4	V165 F171 H172 E177 E178 I179 K209 I211	V165-A175 HydrophobicContact CB-CB 4.41Å; V165-A175 HydrophobicContact CG1-CB 4.1Å; V165-A175 HydrophobicContact CG2-CB 3.71Å; F171-A175 WeakPolarHBondContact O-CB 3.44Å; F171-A175 PolarHBondContact O-N 3.47Å; H172-A175 PolarHBondContact O-N 3.29Å; A175-E177 VanDerWaalsContact C-N 3.32Å; A175-E177 PolarHBondContact O-N 3.5Å; A175-E178 PolarHBondContact O-N 2.75Å; A175-I179 WeakPolarHBondContact O-CD1 3.43Å; A175-I179 VanDerWaalsContact O-CG1 3.23Å; A175-I179 WeakPolarHBondContact O-CG1 3.29Å; A175-I179 PolarHBondContact O-N 2.9Å; A175-K209 HydrophobicContact CB-CB 4.29Å; A175-K209 HydrophobicContact CB-CD 3.79Å; A175-I211 HydrophobicContact CB-CD1 4.46Å
176	D	95.8	Very high	95.1	Very high	76 Å²	76	57.6 Å²	57.6	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-40.9	174	-72	-34.5	0	0	0	111.8	H172 R173 R180 K209	H172-D176 PolarHBondContact O-N 3.43Å; R173-D176 PolarHBondContact O-N 3.27Å; D176-R180 WeakPolarHBondContact O-CB 3.26Å; D176-R180 PolarHBondContact O-N 3.46Å; D176-K209 VanDerWaalsContact CG-CE 3.48Å; D176-K209 VanDerWaalsContact CG-NZ 3.26Å; D176-K209 WeakPolarHBondContact OD1-CE 3.36Å; D176-K209 IonicContact OD1-NZ 3.76Å; D176-K209 PolarHBondContact OD1-NZ 3.12Å; D176-K209 WeakPolarHBondContact OD2-CE 3.44Å; D176-K209 IonicContact OD2-NZ 2.63Å; D176-K209 PolarHBondContact OD2-NZ 3.45Å; D176-K209 VanDerWaalsContact OD2-NZ 3.16Å
177	E	94.1	Very high	94.8	Very high	53 Å²	53	63.8 Å²	63.8	25%	0.248	27%	0.272	C	S	.	.	H	α-helix	trans	-68	-40.1	175.3	-168.3	58.7	-153.9	0	0	112	R173 Q174 A175 R180 I181	R173-E177 PolarHBondContact O-N 3.39Å; R173-E177 VanDerWaalsContact O-N 3.12Å; Q174-E177 PolarHBondContact O-N 2.74Å; A175-E177 VanDerWaalsContact C-N 3.32Å; A175-E177 PolarHBondContact O-N 3.5Å; E177-R180 PolarHBondContact O-N 3.34Å; E177-R180 IonicContact OE1-CZ 3.3Å; E177-R180 IonicContact OE1-NE 3.81Å; E177-R180 PolarHBondContact OE1-NE 2.86Å; E177-R180 VanDerWaalsContact OE1-NE 3.14Å; E177-R180 IonicContact OE1-NH2 3.72Å; E177-R180 PolarHBondContact OE1-NH2 3.15Å; E177-R180 IonicContact OE2-CZ 2.97Å; E177-R180 IonicContact OE2-NE 2.86Å; E177-R180 PolarHBondContact OE2-NE 3.08Å; E177-R180 IonicContact OE2-NH2 3.04Å; E177-R180 PolarHBondContact OE2-NH2 2.73Å; E177-I181 HydrophobicContact CG-CD1 3.98Å; E177-I181 WeakPolarHBondContact O-CB 3.5Å; E177-I181 VanDerWaalsContact O-CG1 3.31Å; E177-I181 WeakPolarHBondContact O-CG1 3.38Å; E177-I181 PolarHBondContact O-N 2.97Å
178	E	96.1	Very high	94.6	Very high	5 Å²	5	65 Å²	65	2%	0.023	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-47.6	174.7	-175.9	170.7	-165.7	0	0	111.5	K163 Q174 A175 R180 I181 L182 F281	K163-E178 VanDerWaalsContact NZ-CD 3.26Å; K163-E178 IonicContact NZ-OE1 3.34Å; K163-E178 PolarHBondContact NZ-OE1 3.22Å; K163-E178 IonicContact NZ-OE2 2.85Å; K163-E178 PolarHBondContact NZ-OE2 3.43Å; Q174-E178 WeakPolarHBondContact O-CB 3.28Å; Q174-E178 PolarHBondContact O-N 3.43Å; A175-E178 PolarHBondContact O-N 2.75Å; E178-R180 VanDerWaalsContact C-N 3.35Å; E178-R180 PolarHBondContact O-N 3.02Å; E178-I181 PolarHBondContact O-N 2.99Å; E178-L182 HydrophobicContact CG-CD1 3.83Å; E178-L182 HydrophobicContact CG-CG 4.47Å; E178-L182 WeakPolarHBondContact O-CB 3.25Å; E178-L182 VanDerWaalsContact O-CG 3.28Å; E178-L182 WeakPolarHBondContact O-CG 3.35Å; E178-L182 PolarHBondContact O-N 2.92Å; E178-F281 HydrophobicContact CG-CB 4.04Å; E178-F281 PolarHBondContact OE1-N 3.32Å
179	I	97.3	Very high	94.4	Very high	15 Å²	15	61.9 Å²	61.9	8%	0.077	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-48.7	175.5	-69.5	161.9	0	0	0	109.8	A175 I181 L182 D183 M199 Y202 I211	A175-I179 WeakPolarHBondContact O-CD1 3.43Å; A175-I179 VanDerWaalsContact O-CG1 3.23Å; A175-I179 WeakPolarHBondContact O-CG1 3.29Å; A175-I179 PolarHBondContact O-N 2.9Å; I179-I181 PolarHBondContact O-N 3.23Å; I179-L182 PolarHBondContact O-N 3.22Å; I179-D183 WeakPolarHBondContact O-CB 3.32Å; I179-D183 PolarHBondContact O-N 3.15Å; I179-M199 HydrophobicContact CB-SD 4.43Å; I179-M199 HydrophobicContact CG1-SD 4.07Å; I179-M199 HydrophobicContact CG2-CE 4.08Å; I179-M199 HydrophobicContact CG2-SD 4.27Å; I179-Y202 HydrophobicContact CD1-CD2 3.86Å; I179-Y202 HydrophobicContact CD1-CG 3.92Å; I179-Y202 HydrophobicContact CG1-CG 4.3Å; I179-Y202 HydrophobicContact CG2-CD1 3.88Å; I179-Y202 HydrophobicContact CG2-CD2 4.29Å; I179-Y202 HydrophobicContact CG2-CE1 3.94Å; I179-Y202 HydrophobicContact CG2-CE2 4.36Å; I179-Y202 HydrophobicContact CG2-CG 4.06Å; I179-I211 HydrophobicContact CD1-CD1 4.06Å; I179-I211 HydrophobicContact CD1-CG1 4.11Å; I179-I211 HydrophobicContact CG1-CD1 3.71Å; I179-I211 HydrophobicContact CG1-CG1 4.07Å
180	R	96.4	Very high	94	Very high	111 Å²	111	57.7 Å²	57.7	42%	0.419	26%	0.256	S	S	.	.	H	α-helix	trans	-58.5	-45.9	179.7	-173.3	178.1	83.6	134.8	-5.1	112.2	D176 E177 E178 H184 F286	D176-R180 WeakPolarHBondContact O-CB 3.26Å; D176-R180 PolarHBondContact O-N 3.46Å; E177-R180 PolarHBondContact O-N 3.34Å; E177-R180 IonicContact OE1-CZ 3.3Å; E177-R180 IonicContact OE1-NE 3.81Å; E177-R180 PolarHBondContact OE1-NE 2.86Å; E177-R180 VanDerWaalsContact OE1-NE 3.14Å; E177-R180 IonicContact OE1-NH2 3.72Å; E177-R180 PolarHBondContact OE1-NH2 3.15Å; E177-R180 IonicContact OE2-CZ 2.97Å; E177-R180 IonicContact OE2-NE 2.86Å; E177-R180 PolarHBondContact OE2-NE 3.08Å; E177-R180 IonicContact OE2-NH2 3.04Å; E177-R180 PolarHBondContact OE2-NH2 2.73Å; E178-R180 VanDerWaalsContact C-N 3.35Å; E178-R180 PolarHBondContact O-N 3.02Å; R180-H184 WeakPolarHBondContact O-CB 3.4Å; R180-H184 PolarHBondContact O-N 2.7Å; R180-H184 VanDerWaalsContact O-N 3.1Å; R180-F286 VanDerWaalsContact NH2-CD2 3.27Å
181	I	96.7	Very high	93.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-46.3	-180	-71.9	171	0	0	0	110.6	E177 E178 I179 H184 L185 L256 F281 F286	E177-I181 HydrophobicContact CG-CD1 3.98Å; E177-I181 WeakPolarHBondContact O-CB 3.5Å; E177-I181 VanDerWaalsContact O-CG1 3.31Å; E177-I181 WeakPolarHBondContact O-CG1 3.38Å; E177-I181 PolarHBondContact O-N 2.97Å; E178-I181 PolarHBondContact O-N 2.99Å; I179-I181 PolarHBondContact O-N 3.23Å; I181-H184 WeakPolarHBondContact O-CB 3.41Å; I181-H184 PolarHBondContact O-N 3Å; I181-L185 HydrophobicContact CG2-CD1 3.76Å; I181-L185 HydrophobicContact CG2-CG 4.39Å; I181-L185 WeakPolarHBondContact O-CG 3.35Å; I181-L185 PolarHBondContact O-N 3.1Å; I181-L256 HydrophobicContact CD1-CD2 4.02Å; I181-L256 HydrophobicContact CG1-CD2 3.99Å; I181-L256 HydrophobicContact CG2-CD1 4.05Å; I181-L256 HydrophobicContact CG2-CD2 4.2Å; I181-F281 HydrophobicContact CG2-CD1 3.91Å; I181-F286 HydrophobicContact CG1-CE2 4.03Å; I181-F286 HydrophobicContact CG1-CZ 4.48Å
182	L	97	Very high	93.6	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-39.9	-178.8	-71.8	171.3	0	0	0	112.2	E178 I179 H184 L185 R186 I196 I197 M199 F213 F281	E178-L182 HydrophobicContact CG-CD1 3.83Å; E178-L182 HydrophobicContact CG-CG 4.47Å; E178-L182 WeakPolarHBondContact O-CB 3.25Å; E178-L182 VanDerWaalsContact O-CG 3.28Å; E178-L182 WeakPolarHBondContact O-CG 3.35Å; E178-L182 PolarHBondContact O-N 2.92Å; I179-L182 PolarHBondContact O-N 3.22Å; L182-H184 VanDerWaalsContact C-N 3.31Å; L182-H184 PolarHBondContact O-N 3.34Å; L182-L185 PolarHBondContact O-N 2.82Å; L182-R186 VanDerWaalsContact O-CB 3.24Å; L182-R186 WeakPolarHBondContact O-CB 3.4Å; L182-R186 PolarHBondContact O-N 3.24Å; L182-I196 HydrophobicContact CD2-CG2 4.24Å; L182-I197 HydrophobicContact CD2-CG2 4.06Å; L182-M199 HydrophobicContact CB-CB 4.48Å; L182-M199 HydrophobicContact CD1-CB 4.32Å; L182-F213 HydrophobicContact CD1-CE1 3.66Å; L182-F213 HydrophobicContact CD1-CZ 4.23Å; L182-F281 HydrophobicContact CD2-CB 4.37Å; L182-F281 HydrophobicContact CD2-CD2 3.74Å; L182-F281 HydrophobicContact CD2-CE2 4.23Å; L182-F281 HydrophobicContact CD2-CG 4.05Å; L182-F281 HydrophobicContact CG-CB 4.4Å
183	D	95.4	Very high	93.4	Very high	60 Å²	60	57.9 Å²	57.9	32%	0.321	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-40	173.3	-105.4	14.9	0	0	0	111.9	I179 M199	I179-D183 WeakPolarHBondContact O-CB 3.32Å; I179-D183 PolarHBondContact O-N 3.15Å; D183-M199 WeakPolarHBondContact OD1-CE 3.28Å
184	H	95.1	Very high	93.5	Very high	57 Å²	57	51.4 Å²	51.4	26%	0.264	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-43.8	176.1	-179.4	68.9	0	0	0	112.3	R180 I181 L182 Q188 N254	R180-H184 WeakPolarHBondContact O-CB 3.4Å; R180-H184 PolarHBondContact O-N 2.7Å; R180-H184 VanDerWaalsContact O-N 3.1Å; I181-H184 WeakPolarHBondContact O-CB 3.41Å; I181-H184 PolarHBondContact O-N 3Å; L182-H184 VanDerWaalsContact C-N 3.31Å; L182-H184 PolarHBondContact O-N 3.34Å; H184-Q188 PolarHBondContact NE2-NE2 2.79Å; H184-N254 PolarHBondContact NE2-OD1 2.88Å
185	L	95.4	Very high	93.7	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-71.6	-36.1	178.8	-69.1	171.3	0	0	0	112.5	I181 L182 R187 Q188 D189 I196 L250 L251 L256 F281	I181-L185 HydrophobicContact CG2-CD1 3.76Å; I181-L185 HydrophobicContact CG2-CG 4.39Å; I181-L185 WeakPolarHBondContact O-CG 3.35Å; I181-L185 PolarHBondContact O-N 3.1Å; L182-L185 PolarHBondContact O-N 2.82Å; L185-R187 PolarHBondContact O-N 2.8Å; L185-Q188 PolarHBondContact O-N 3.49Å; L185-D189 PolarHBondContact O-N 2.8Å; L185-I196 HydrophobicContact CB-CD1 4.45Å; L185-I196 HydrophobicContact CD1-CD1 4.22Å; L185-I196 HydrophobicContact CD1-CG2 4.45Å; L185-I196 HydrophobicContact CD2-CD1 4.37Å; L185-L250 HydrophobicContact CD2-CD2 4.07Å; L185-L250 HydrophobicContact CD2-CG 4.22Å; L185-L251 HydrophobicContact CD1-CD2 3.72Å; L185-L251 HydrophobicContact CD2-CD2 3.94Å; L185-L256 HydrophobicContact CD1-CD1 4.2Å; L185-L256 HydrophobicContact CD2-CD1 3.82Å; L185-L256 HydrophobicContact CG-CD1 4.07Å; L185-F281 HydrophobicContact CD1-CD1 4.22Å; L185-F281 HydrophobicContact CD1-CE1 3.79Å; L185-F281 HydrophobicContact CD1-CZ 4.29Å
186	R	93.1	Very high	93.8	Very high	100 Å²	100	51.1 Å²	51.1	38%	0.377	25%	0.25	S	C	.	.	H	α-helix	trans	-57	-35.2	-178.8	179.5	56.1	171.2	166.5	-8.6	112.9	L182 Q188 D189 H198	L182-R186 VanDerWaalsContact O-CB 3.24Å; L182-R186 WeakPolarHBondContact O-CB 3.4Å; L182-R186 PolarHBondContact O-N 3.24Å; R186-Q188 PolarHBondContact O-N 3.14Å; R186-D189 PolarHBondContact NH1-O 2.72Å; R186-D189 CarbonylContact O-C 3.58Å; R186-D189 PolarHBondContact O-N 3.02Å; R186-H198 PolarHBondContact NH1-CE1 3.14Å; R186-H198 VanDerWaalsContact NH1-CG 3.25Å; R186-H198 PolarHBondContact NH1-ND1 2.7Å; R186-H198 PolarHBondContact NH1-NE2 2.74Å
187	R	91.1	Very high	93.9	Very high	176 Å²	176	48 Å²	48	66%	0.664	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.1	178	-61.9	-179.4	-162	115	7.4	113.3	L185	L185-R187 PolarHBondContact O-N 2.8Å
188	Q	92.4	Very high	94	Very high	73 Å²	73	46.4 Å²	46.4	34%	0.341	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-14.8	-179.1	-63.3	173.7	65.9	0	0	112.6	H184 L185 R186 L250 N254	H184-Q188 PolarHBondContact NE2-NE2 2.79Å; L185-Q188 PolarHBondContact O-N 3.49Å; R186-Q188 PolarHBondContact O-N 3.14Å; Q188-L250 HydrophobicContact CB-CD1 4.09Å; Q188-L250 HydrophobicContact CB-CD2 4.31Å; Q188-N254 PolarHBondContact NE2-ND2 3.24Å; Q188-N254 PolarHBondContact NE2-OD1 2.88Å; Q188-N254 PolarHBondContact OE1-ND2 3.1Å; Q188-N254 PolarHBondContact OE1-OD1 3.02Å
189	D	91.5	Very high	94	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.23	C	C	.	.			trans	-116.8	46.2	177.5	-168.7	44.3	0	0	0	111.5	L185 R186 D191 G192 T193 H194 H198 L250	L185-D189 PolarHBondContact O-N 2.8Å; R186-D189 PolarHBondContact NH1-O 2.72Å; R186-D189 CarbonylContact O-C 3.58Å; R186-D189 PolarHBondContact O-N 3.02Å; D189-D191 VanDerWaalsContact C-N 3.28Å; D189-D191 PolarHBondContact O-N 2.99Å; D189-G192 PolarHBondContact O-N 2.59Å; D189-G192 VanDerWaalsContact OD1-C 3.26Å; D189-G192 VanDerWaalsContact OD1-CA 3.3Å; D189-G192 WeakPolarHBondContact OD1-CA 3.43Å; D189-G192 PolarHBondContact OD1-N 2.88Å; D189-T193 PolarHBondContact OD1-N 3.48Å; D189-H194 HydrophobicContact CB-CB 4.28Å; D189-H194 WeakPolarHBondContact OD1-CB 3.19Å; D189-H194 IonicContact OD1-CG 3.18Å; D189-H194 PolarHBondContact OD1-N 3.23Å; D189-H194 IonicContact OD1-ND1 2.99Å; D189-H194 PolarHBondContact OD1-ND1 3.41Å; D189-H194 VanDerWaalsContact OD1-ND1 3.11Å; D189-H198 PolarHBondContact O-NE2 3.05Å; D189-H198 IonicContact OD2-CD2 3.7Å; D189-H198 IonicContact OD2-CE1 3.68Å; D189-H198 IonicContact OD2-NE2 3.41Å; D189-H198 PolarHBondContact OD2-NE2 3.04Å; D189-L250 HydrophobicContact CB-CD2 4.44Å
190	S	85.8	Confident	94	Very high	98 Å²	98	50.4 Å²	50.4	69%	0.685	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.9	-179.7	56.5	0	0	0	0	112.9
191	D	87.9	Confident	94	Very high	110 Å²	110	47.6 Å²	47.6	59%	0.588	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.5	177.4	66.7	2.3	0	0	0	113.6	D189 T193	D189-D191 VanDerWaalsContact C-N 3.28Å; D189-D191 PolarHBondContact O-N 2.99Å; D191-T193 VanDerWaalsContact C-N 3.28Å; D191-T193 HydrophobicContact CB-CG2 4.24Å; D191-T193 VanDerWaalsContact CG-OG1 3.32Å; D191-T193 PolarHBondContact O-N 3.02Å; D191-T193 WeakPolarHBondContact OD1-CB 3.23Å; D191-T193 WeakPolarHBondContact OD1-CG2 3.4Å; D191-T193 PolarHBondContact OD1-N 3.33Å; D191-T193 VanDerWaalsContact OD1-N 3.08Å; D191-T193 PolarHBondContact OD1-OG1 3.46Å; D191-T193 VanDerWaalsContact OD2-CG2 3.29Å; D191-T193 WeakPolarHBondContact OD2-CG2 3.43Å; D191-T193 PolarHBondContact OD2-OG1 3.02Å
192	G	87.5	Confident	94	Very high	12 Å²	12	52 Å²	52	12%	0.124	26%	0.257	C	S	.	.	S	Bend	trans	70.3	18.4	178.1	0	0	0	0	0	115.1	D189	D189-G192 PolarHBondContact O-N 2.59Å; D189-G192 VanDerWaalsContact OD1-C 3.26Å; D189-G192 VanDerWaalsContact OD1-CA 3.3Å; D189-G192 WeakPolarHBondContact OD1-CA 3.43Å; D189-G192 PolarHBondContact OD1-N 2.88Å
193	T	91.9	Very high	94.1	Very high	67 Å²	67	53.6 Å²	53.6	41%	0.411	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-20.9	-177.3	57.8	0	0	0	0	113.7	D189 D191 N195 L246	D189-T193 PolarHBondContact OD1-N 3.48Å; D191-T193 VanDerWaalsContact C-N 3.28Å; D191-T193 HydrophobicContact CB-CG2 4.24Å; D191-T193 VanDerWaalsContact CG-OG1 3.32Å; D191-T193 PolarHBondContact O-N 3.02Å; D191-T193 WeakPolarHBondContact OD1-CB 3.23Å; D191-T193 WeakPolarHBondContact OD1-CG2 3.4Å; D191-T193 PolarHBondContact OD1-N 3.33Å; D191-T193 VanDerWaalsContact OD1-N 3.08Å; D191-T193 PolarHBondContact OD1-OG1 3.46Å; D191-T193 VanDerWaalsContact OD2-CG2 3.29Å; D191-T193 WeakPolarHBondContact OD2-CG2 3.43Å; D191-T193 PolarHBondContact OD2-OG1 3.02Å; T193-N195 VanDerWaalsContact C-N 3.3Å; T193-N195 PolarHBondContact O-N 3.43Å; T193-N195 PolarHBondContact O-ND2 3.09Å; T193-L246 WeakPolarHBondContact O-CD1 3.45Å
194	H	94.6	Very high	94.2	Very high	39 Å²	39	55.7 Å²	55.7	18%	0.181	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1	-179.6	-58.6	85.5	0	0	0	113.5	D189 I196 C247 L250	D189-H194 HydrophobicContact CB-CB 4.28Å; D189-H194 WeakPolarHBondContact OD1-CB 3.19Å; D189-H194 IonicContact OD1-CG 3.18Å; D189-H194 PolarHBondContact OD1-N 3.23Å; D189-H194 IonicContact OD1-ND1 2.99Å; D189-H194 PolarHBondContact OD1-ND1 3.41Å; D189-H194 VanDerWaalsContact OD1-ND1 3.11Å; H194-I196 HydrophobicContact CB-CD1 4.26Å; H194-I196 PolarHBondContact O-N 2.8Å; H194-C247 WeakPolarHBondContact O-CA 3.4Å; H194-C247 VanDerWaalsContact O-CB 3.25Å; H194-C247 WeakPolarHBondContact O-CB 3.5Å; H194-C247 PolarHBondContact O-N 3.42Å; H194-L250 HydrophobicContact CB-CB 4.34Å; H194-L250 HydrophobicContact CB-CD2 3.83Å
195	N	96.9	Very high	94.3	Very high	10 Å²	10	53 Å²	53	5%	0.053	26%	0.262	C	S	.	.			trans	58.6	42.4	172.9	-54.9	-53.5	0	0	0	113.7	T193 S243 K269 I276 K277 V278	T193-N195 VanDerWaalsContact C-N 3.3Å; T193-N195 PolarHBondContact O-N 3.43Å; T193-N195 PolarHBondContact O-ND2 3.09Å; N195-S243 PolarHBondContact ND2-O 3.37Å; N195-K269 WeakPolarHBondContact OD1-CE 3.41Å; N195-K269 PolarHBondContact OD1-NZ 2.95Å; N195-I276 HydrophobicContact CB-CD1 4.11Å; N195-I276 WeakPolarHBondContact CB-O 3.45Å; N195-I276 PolarHBondContact OD1-O 3.04Å; N195-K277 CarbonylContact O-C 3.47Å; N195-K277 WeakPolarHBondContact O-CA 3.44Å; N195-V278 PolarHBondContact O-N 3.11Å
196	I	97.3	Very high	94.4	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-104.4	142.9	172.6	-66.6	157.5	0	0	0	108.9	L182 L185 H194 H198 C247 L250 K277 F281	L182-I196 HydrophobicContact CD2-CG2 4.24Å; L185-I196 HydrophobicContact CB-CD1 4.45Å; L185-I196 HydrophobicContact CD1-CD1 4.22Å; L185-I196 HydrophobicContact CD1-CG2 4.45Å; L185-I196 HydrophobicContact CD2-CD1 4.37Å; H194-I196 HydrophobicContact CB-CD1 4.26Å; H194-I196 PolarHBondContact O-N 2.8Å; I196-H198 PolarHBondContact O-CD2 3.43Å; I196-H198 PolarHBondContact O-NE2 3.36Å; I196-C247 HydrophobicContact CG1-CB 4.25Å; I196-C247 VanDerWaalsContact CG1-SG 3.56Å; I196-L250 HydrophobicContact CD1-CD2 3.65Å; I196-K277 VanDerWaalsContact O-CD 3.32Å; I196-K277 WeakPolarHBondContact O-CD 3.42Å; I196-K277 WeakPolarHBondContact O-CE 3.33Å; I196-K277 PolarHBondContact O-NZ 2.9Å; I196-F281 HydrophobicContact CG1-CZ 4.34Å; I196-F281 HydrophobicContact CG2-CE2 3.93Å; I196-F281 HydrophobicContact CG2-CZ 3.97Å
197	I	97.5	Very high	94.6	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.051	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-58.3	135.5	173.5	-170.3	70.3	0	0	0	111.4	L182 F213 E214 L216 V278 I279 F281	L182-I197 HydrophobicContact CD2-CG2 4.06Å; I197-F213 HydrophobicContact CD1-CB 4.2Å; I197-F213 HydrophobicContact CG1-CB 4.02Å; I197-F213 HydrophobicContact CG1-CD1 3.59Å; I197-F213 HydrophobicContact CG1-CE1 4.38Å; I197-F213 HydrophobicContact CG1-CG 4.1Å; I197-F213 HydrophobicContact CG2-CD1 4.32Å; I197-F213 HydrophobicContact CG2-CE1 4.33Å; I197-E214 HydrophobicContact CD1-CG 3.56Å; I197-L216 HydrophobicContact CD1-CD1 3.49Å; I197-L216 VanDerWaalsContact CD1-CD1 3.49Å; I197-L216 HydrophobicContact CD1-CD2 4.5Å; I197-L216 HydrophobicContact CD1-CG 3.82Å; I197-V278 PolarHBondContact N-O 3.44Å; I197-I279 HydrophobicContact CB-CB 4.49Å; I197-I279 HydrophobicContact CB-CG2 4.04Å; I197-I279 HydrophobicContact CD1-CG2 4.21Å; I197-I279 HydrophobicContact CG1-CG2 4.3Å; I197-I279 HydrophobicContact CG2-CB 4.45Å; I197-F281 HydrophobicContact CG2-CD2 4.4Å; I197-F281 HydrophobicContact CG2-CE2 4.38Å
198	H	96.1	Very high	94.9	Very high	21 Å²	21	45.4 Å²	45.4	10%	0.097	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-96.5	116.3	177	-61.6	163.2	0	0	0	110	R186 D189 I196 F213 E214 K277	R186-H198 PolarHBondContact NH1-CE1 3.14Å; R186-H198 VanDerWaalsContact NH1-CG 3.25Å; R186-H198 PolarHBondContact NH1-ND1 2.7Å; R186-H198 PolarHBondContact NH1-NE2 2.74Å; D189-H198 PolarHBondContact O-NE2 3.05Å; D189-H198 IonicContact OD2-CD2 3.7Å; D189-H198 IonicContact OD2-CE1 3.68Å; D189-H198 IonicContact OD2-NE2 3.41Å; D189-H198 PolarHBondContact OD2-NE2 3.04Å; I196-H198 PolarHBondContact O-CD2 3.43Å; I196-H198 PolarHBondContact O-NE2 3.36Å; H198-F213 WeakPolarHBondContact O-CA 3.43Å; H198-E214 VanDerWaalsContact CB-OE1 3.32Å; H198-E214 WeakPolarHBondContact CB-OE1 3.49Å; H198-E214 IonicContact CG-OE1 2.7Å; H198-E214 PolarHBondContact N-OE1 3.03Å; H198-E214 IonicContact ND1-OE1 3.32Å; H198-E214 PolarHBondContact O-N 3.39Å; H198-K277 PolarHBondContact CE1-NZ 2.91Å; H198-K277 PolarHBondContact ND1-NZ 3.2Å; H198-K277 VanDerWaalsContact ND1-NZ 3.13Å; H198-K277 PolarHBondContact NE2-NZ 2.91Å
199	M	97.2	Very high	95.2	Very high	24 Å²	24	43.4 Å²	43.4	12%	0.118	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	136.2	165.2	180	178.4	72.9	0	0	109.2	I179 L182 D183 Y202 I211 T212 F213	I179-M199 HydrophobicContact CB-SD 4.43Å; I179-M199 HydrophobicContact CG1-SD 4.07Å; I179-M199 HydrophobicContact CG2-CE 4.08Å; I179-M199 HydrophobicContact CG2-SD 4.27Å; L182-M199 HydrophobicContact CB-CB 4.48Å; L182-M199 HydrophobicContact CD1-CB 4.32Å; D183-M199 WeakPolarHBondContact OD1-CE 3.28Å; M199-Y202 HydrophobicContact CE-CD1 3.97Å; M199-Y202 HydrophobicContact CE-CE1 4.48Å; M199-Y202 HydrophobicContact SD-CD1 4.21Å; M199-I211 HydrophobicContact CG-CG2 3.6Å; M199-I211 HydrophobicContact SD-CG2 3.62Å; M199-T212 CarbonylContact C-O 3.58Å; M199-T212 WeakPolarHBondContact CA-O 3.47Å; M199-F213 HydrophobicContact CB-CD1 4.21Å; M199-F213 HydrophobicContact CB-CE1 4.17Å
200	L	96.3	Very high	95.5	Very high	79 Å²	79	43.4 Å²	43.4	41%	0.414	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-39.9	-178.3	-56.4	179.4	0	0	0	112.2	V160 T212	V160-L200 HydrophobicContact CG1-CD1 3.78Å; L200-T212 PolarHBondContact N-O 3.3Å
201	D	96.6	Very high	96.1	Very high	52 Å²	52	38.7 Å²	38.7	28%	0.278	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	154.8	-174.9	-153.9	-16.8	0	0	0	109.6	R133 Y134 T212	R133-D201 IonicContact CZ-OD2 3.59Å; R133-D201 IonicContact NH1-OD2 3.44Å; R133-D201 PolarHBondContact NH1-OD2 3.48Å; R133-D201 IonicContact NH2-OD2 2.83Å; Y134-D201 PolarHBondContact OH-OD2 3.27Å; D201-T212 WeakPolarHBondContact CA-OG1 3.4Å; D201-T212 WeakPolarHBondContact CB-OG1 3.32Å; D201-T212 PolarHBondContact N-OG1 3.43Å; D201-T212 PolarHBondContact O-N 3.42Å; D201-T212 PolarHBondContact O-OG1 2.92Å; D201-T212 VanDerWaalsContact O-OG1 3.1Å
202	Y	97.8	Very high	96.6	Very high	93 Å²	93	33.5 Å²	33.5	37%	0.365	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	141.6	172.4	69.6	-88.3	0	0	0	110.8	I179 M199 C210	I179-Y202 HydrophobicContact CD1-CD2 3.86Å; I179-Y202 HydrophobicContact CD1-CG 3.92Å; I179-Y202 HydrophobicContact CG1-CG 4.3Å; I179-Y202 HydrophobicContact CG2-CD1 3.88Å; I179-Y202 HydrophobicContact CG2-CD2 4.29Å; I179-Y202 HydrophobicContact CG2-CE1 3.94Å; I179-Y202 HydrophobicContact CG2-CE2 4.36Å; I179-Y202 HydrophobicContact CG2-CG 4.06Å; M199-Y202 HydrophobicContact CE-CD1 3.97Å; M199-Y202 HydrophobicContact CE-CE1 4.48Å; M199-Y202 HydrophobicContact SD-CD1 4.21Å; Y202-C210 CarbonylContact C-O 3.59Å; Y202-C210 VanDerWaalsContact CA-O 3.24Å; Y202-C210 WeakPolarHBondContact CA-O 3.38Å
203	F	98.1	Very high	97.2	Very high	40 Å²	40	33.7 Å²	33.7	18%	0.175	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	172.9	-176.3	55.5	-88.5	0	0	0	111	I130 A131 Y134 L162 F205 C210 T212	I130-F203 HydrophobicContact CG2-CE2 3.84Å; I130-F203 HydrophobicContact CG2-CZ 4.01Å; A131-F203 HydrophobicContact CB-CD2 3.89Å; A131-F203 HydrophobicContact CB-CE2 3.45Å; A131-F203 VanDerWaalsContact CB-CE2 3.45Å; A131-F203 HydrophobicContact CB-CZ 4.05Å; Y134-F203 HydrophobicContact CD2-CE1 4.2Å; Y134-F203 AromaticContact CD2-CZ 3.78Å; Y134-F203 HydrophobicContact CD2-CZ 3.78Å; Y134-F203 HydrophobicContact CE2-CD1 4.47Å; Y134-F203 AromaticContact CE2-CE1 3.39Å; Y134-F203 HydrophobicContact CE2-CE1 3.39Å; Y134-F203 AromaticContact CE2-CZ 3.45Å; Y134-F203 HydrophobicContact CE2-CZ 3.45Å; Y134-F203 VanDerWaalsContact CE2-CZ 3.45Å; Y134-F203 AromaticContact CZ-CE1 4Å; L162-F203 HydrophobicContact CD1-CZ 4.27Å; F203-F205 HydrophobicContact CD2-CB 4.22Å; F203-F205 HydrophobicContact CE2-CB 4.02Å; F203-C210 HydrophobicContact CD1-CB 4.4Å; F203-C210 HydrophobicContact CD2-CB 3.8Å; F203-C210 HydrophobicContact CE1-CB 4.08Å; F203-C210 HydrophobicContact CE2-CB 3.43Å; F203-C210 VanDerWaalsContact CE2-CB 3.43Å; F203-C210 HydrophobicContact CG-CB 4.27Å; F203-C210 HydrophobicContact CZ-CB 3.59Å; F203-C210 PolarHBondContact N-O 3.23Å; F203-C210 PolarHBondContact O-N 2.9Å; F203-T212 HydrophobicContact CE1-CG2 4.17Å
204	N	97.9	Very high	97.4	Very high	103 Å²	103	32.9 Å²	32.9	55%	0.551	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104	138	170.9	-59.9	-45.8	0	0	0	109.8	H208 K209	N204-H208 CarbonylContact C-O 3.57Å; N204-H208 WeakPolarHBondContact CA-O 3.48Å; N204-K209 WeakPolarHBondContact OD1-CG 3.3Å
205	F	98.1	Very high	97.6	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	122.6	173.4	175.8	-108	0	0	0	109.3	Y90 Y122 I130 A131 F203 N207 H208	Y90-F205 WeakPolarHBondContact OH-CD2 3.32Å; Y122-F205 HydrophobicContact CE1-CE1 4.49Å; Y122-F205 HydrophobicContact CE2-CE1 4.21Å; Y122-F205 AromaticContact CZ-CE1 3.82Å; Y122-F205 WeakPolarHBondContact OH-CE1 3.44Å; I130-F205 HydrophobicContact CB-CD1 4.43Å; I130-F205 HydrophobicContact CB-CE1 4.44Å; I130-F205 HydrophobicContact CD1-CD1 3.82Å; I130-F205 HydrophobicContact CD1-CE1 3.5Å; I130-F205 VanDerWaalsContact CD1-CE1 3.5Å; I130-F205 HydrophobicContact CD1-CZ 4.42Å; I130-F205 HydrophobicContact CG2-CB 4.22Å; I130-F205 HydrophobicContact CG2-CD1 3.75Å; I130-F205 HydrophobicContact CG2-CE1 4.25Å; I130-F205 HydrophobicContact CG2-CG 3.97Å; A131-F205 HydrophobicContact CB-CD2 4.21Å; A131-F205 VanDerWaalsContact N-CD2 3.31Å; A131-F205 VanDerWaalsContact N-CE2 3.34Å; F203-F205 HydrophobicContact CD2-CB 4.22Å; F203-F205 HydrophobicContact CE2-CB 4.02Å; F205-N207 VanDerWaalsContact C-N 3.3Å; F205-N207 PolarHBondContact O-N 2.93Å; F205-H208 PolarHBondContact N-O 3.16Å; F205-H208 WeakPolarHBondContact O-CB 3.33Å; F205-H208 PolarHBondContact O-N 2.93Å
206	R	97.1	Very high	97.6	Very high	16 Å²	16	34.4 Å²	34.4	6%	0.06	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	52.1	180	-63.2	-179.2	-179.5	166.3	-0	113	F82 E83 E86 N112 Y122 H208	F82-R206 HydrophobicContact CE1-CG 4.29Å; E83-R206 IonicContact OE1-NH2 3.36Å; E83-R206 PolarHBondContact OE1-NH2 3.29Å; E86-R206 WeakPolarHBondContact OE1-CG 3.23Å; E86-R206 IonicContact OE1-NE 3.26Å; E86-R206 PolarHBondContact OE1-NE 3.28Å; E86-R206 IonicContact OE2-CZ 3.43Å; E86-R206 IonicContact OE2-NE 3.04Å; E86-R206 PolarHBondContact OE2-NE 3.2Å; E86-R206 IonicContact OE2-NH2 2.7Å; E86-R206 PolarHBondContact OE2-NH2 3.04Å; N112-R206 PolarHBondContact ND2-O 3.49Å; Y122-R206 HydrophobicContact CE2-CB 4.09Å; Y122-R206 PolarHBondContact OH-NH1 3.43Å; R206-H208 PolarHBondContact O-CD2 2.68Å; R206-H208 PolarHBondContact O-N 3.34Å
207	N	96.8	Very high	97.6	Very high	100 Å²	100	35.8 Å²	35.8	54%	0.535	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	4	-177.8	-60.9	-42.6	0	0	0	117.2	N112 N167 H172 F205	N112-N207 PolarHBondContact OD1-ND2 3.13Å; N167-N207 PolarHBondContact OD1-O 2.85Å; H172-N207 PolarHBondContact CE1-O 3.45Å; H172-N207 PolarHBondContact NE2-O 3.43Å; F205-N207 VanDerWaalsContact C-N 3.3Å; F205-N207 PolarHBondContact O-N 2.93Å
208	H	98.3	Very high	97.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.5	170.5	-64.5	-86.4	0	0	0	111.4	D116 G120 Y122 V165 N204 F205 R206	D116-H208 IonicContact OD1-CD2 3.67Å; D116-H208 IonicContact OD1-CE1 3.04Å; D116-H208 IonicContact OD1-NE2 3.49Å; D116-H208 PolarHBondContact OD1-NE2 2.74Å; D116-H208 IonicContact OD2-CE1 3.42Å; D116-H208 IonicContact OD2-NE2 2.8Å; G120-H208 PolarHBondContact O-CE1 3.12Å; Y122-H208 WeakPolarHBondContact CB-NE2 3.2Å; Y122-H208 AromaticContact CD2-CD2 3.48Å; Y122-H208 VanDerWaalsContact CD2-CD2 3.48Å; Y122-H208 WeakPolarHBondContact CD2-CD2 3.48Å; Y122-H208 AromaticContact CD2-NE2 3.53Å; Y122-H208 AromaticContact CG-NE2 4Å; Y122-H208 PolarHBondContact N-CE1 3.37Å; V165-H208 PolarHBondContact O-ND1 3.38Å; N204-H208 CarbonylContact C-O 3.57Å; N204-H208 WeakPolarHBondContact CA-O 3.48Å; F205-H208 PolarHBondContact N-O 3.16Å; F205-H208 WeakPolarHBondContact O-CB 3.33Å; F205-H208 PolarHBondContact O-N 2.93Å; R206-H208 PolarHBondContact O-CD2 2.68Å; R206-H208 PolarHBondContact O-N 3.34Å
209	K	98	Very high	97.6	Very high	31 Å²	31	37.6 Å²	37.6	14%	0.135	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.9	162.1	-71.6	-178.1	-178	-77.3	0	108.9	V165 H172 A175 D176 N204	V165-K209 HydrophobicContact CB-CB 4.05Å; V165-K209 WeakPolarHBondContact CB-O 3.18Å; V165-K209 HydrophobicContact CG2-CB 4.1Å; V165-K209 WeakPolarHBondContact CG2-O 3.32Å; V165-K209 PolarHBondContact N-O 2.92Å; H172-K209 HydrophobicContact CB-CD 4.13Å; H172-K209 WeakPolarHBondContact O-CE 3.18Å; A175-K209 HydrophobicContact CB-CB 4.29Å; A175-K209 HydrophobicContact CB-CD 3.79Å; D176-K209 VanDerWaalsContact CG-CE 3.48Å; D176-K209 VanDerWaalsContact CG-NZ 3.26Å; D176-K209 WeakPolarHBondContact OD1-CE 3.36Å; D176-K209 IonicContact OD1-NZ 3.76Å; D176-K209 PolarHBondContact OD1-NZ 3.12Å; D176-K209 WeakPolarHBondContact OD2-CE 3.44Å; D176-K209 IonicContact OD2-NZ 2.63Å; D176-K209 PolarHBondContact OD2-NZ 3.45Å; D176-K209 VanDerWaalsContact OD2-NZ 3.16Å; N204-K209 WeakPolarHBondContact OD1-CG 3.3Å
210	C	98.5	Very high	97.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.1	179.9	-66.7	0	0	0	0	109.3	L162 K163 Y202 F203	L162-C210 HydrophobicContact CD2-CB 4.33Å; K163-C210 CarbonylContact O-C 3.31Å; K163-C210 VanDerWaalsContact O-CA 3.29Å; K163-C210 WeakPolarHBondContact O-CA 3.28Å; Y202-C210 CarbonylContact C-O 3.59Å; Y202-C210 VanDerWaalsContact CA-O 3.24Å; Y202-C210 WeakPolarHBondContact CA-O 3.38Å; F203-C210 HydrophobicContact CD1-CB 4.4Å; F203-C210 HydrophobicContact CD2-CB 3.8Å; F203-C210 HydrophobicContact CE1-CB 4.08Å; F203-C210 HydrophobicContact CE2-CB 3.43Å; F203-C210 VanDerWaalsContact CE2-CB 3.43Å; F203-C210 HydrophobicContact CG-CB 4.27Å; F203-C210 HydrophobicContact CZ-CB 3.59Å; F203-C210 PolarHBondContact N-O 3.23Å; F203-C210 PolarHBondContact O-N 2.9Å
211	I	98.5	Very high	97.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.2	176.4	-49.8	172	0	0	0	108	L162 K163 A175 I179 M199 F213	L162-I211 WeakPolarHBondContact CA-O 3.49Å; K163-I211 HydrophobicContact CB-CB 4.49Å; K163-I211 PolarHBondContact N-O 3.47Å; K163-I211 PolarHBondContact O-N 3.43Å; A175-I211 HydrophobicContact CB-CD1 4.46Å; I179-I211 HydrophobicContact CD1-CD1 4.06Å; I179-I211 HydrophobicContact CD1-CG1 4.11Å; I179-I211 HydrophobicContact CG1-CD1 3.71Å; I179-I211 HydrophobicContact CG1-CG1 4.07Å; M199-I211 HydrophobicContact CG-CG2 3.6Å; M199-I211 HydrophobicContact SD-CG2 3.62Å; I211-F213 HydrophobicContact CB-CE2 3.8Å; I211-F213 HydrophobicContact CB-CZ 3.99Å; I211-F213 HydrophobicContact CG2-CD2 4.31Å; I211-F213 HydrophobicContact CG2-CE1 3.96Å; I211-F213 HydrophobicContact CG2-CE2 3.56Å; I211-F213 HydrophobicContact CG2-CZ 3.36Å
212	T	98.5	Very high	97.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	143.8	176.2	60.6	0	0	0	0	110.9	Y134 A161 L162 M199 L200 D201 F203	Y134-T212 HydrophobicContact CD1-CG2 4.48Å; Y134-T212 HydrophobicContact CE1-CG2 3.84Å; Y134-T212 HydrophobicContact CE2-CG2 4.33Å; A161-T212 CarbonylContact O-C 3.6Å; A161-T212 WeakPolarHBondContact O-CA 3.31Å; L162-T212 HydrophobicContact CB-CG2 4.19Å; L162-T212 HydrophobicContact CD1-CG2 3.97Å; L162-T212 HydrophobicContact CG-CG2 3.82Å; M199-T212 CarbonylContact C-O 3.58Å; M199-T212 WeakPolarHBondContact CA-O 3.47Å; L200-T212 PolarHBondContact N-O 3.3Å; D201-T212 WeakPolarHBondContact CA-OG1 3.4Å; D201-T212 WeakPolarHBondContact CB-OG1 3.32Å; D201-T212 PolarHBondContact N-OG1 3.43Å; D201-T212 PolarHBondContact O-N 3.42Å; D201-T212 PolarHBondContact O-OG1 2.92Å; D201-T212 VanDerWaalsContact O-OG1 3.1Å; F203-T212 HydrophobicContact CE1-CG2 4.17Å
213	F	98.4	Very high	97.9	Very high	16 Å²	16	33.4 Å²	33.4	7%	0.07	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.8	-178	-57.5	-87.6	0	0	0	110.1	A161 K163 L182 I197 H198 M199 I211 L215	A161-F213 HydrophobicContact CB-CB 4.33Å; A161-F213 PolarHBondContact N-O 2.89Å; A161-F213 PolarHBondContact O-N 3.45Å; K163-F213 HydrophobicContact CB-CE2 3.9Å; K163-F213 HydrophobicContact CD-CE2 4.26Å; L182-F213 HydrophobicContact CD1-CE1 3.66Å; L182-F213 HydrophobicContact CD1-CZ 4.23Å; I197-F213 HydrophobicContact CD1-CB 4.2Å; I197-F213 HydrophobicContact CG1-CB 4.02Å; I197-F213 HydrophobicContact CG1-CD1 3.59Å; I197-F213 HydrophobicContact CG1-CE1 4.38Å; I197-F213 HydrophobicContact CG1-CG 4.1Å; I197-F213 HydrophobicContact CG2-CD1 4.32Å; I197-F213 HydrophobicContact CG2-CE1 4.33Å; H198-F213 WeakPolarHBondContact O-CA 3.43Å; M199-F213 HydrophobicContact CB-CD1 4.21Å; M199-F213 HydrophobicContact CB-CE1 4.17Å; I211-F213 HydrophobicContact CB-CE2 3.8Å; I211-F213 HydrophobicContact CB-CZ 3.99Å; I211-F213 HydrophobicContact CG2-CD2 4.31Å; I211-F213 HydrophobicContact CG2-CE1 3.96Å; I211-F213 HydrophobicContact CG2-CE2 3.56Å; I211-F213 HydrophobicContact CG2-CZ 3.36Å; F213-L215 PolarHBondContact O-N 2.77Å
214	E	97.1	Very high	97.9	Very high	50 Å²	50	31.5 Å²	31.5	23%	0.234	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	138.8	163	69.5	-171	124.4	0	0	110.2	I197 H198 L216 K277	I197-E214 HydrophobicContact CD1-CG 3.56Å; H198-E214 VanDerWaalsContact CB-OE1 3.32Å; H198-E214 WeakPolarHBondContact CB-OE1 3.49Å; H198-E214 IonicContact CG-OE1 2.7Å; H198-E214 PolarHBondContact N-OE1 3.03Å; H198-E214 IonicContact ND1-OE1 3.32Å; H198-E214 PolarHBondContact O-N 3.39Å; E214-L216 HydrophobicContact CG-CD2 3.83Å; E214-L216 HydrophobicContact CG-CG 4.23Å; E214-L216 PolarHBondContact O-N 2.86Å; E214-K277 WeakPolarHBondContact OE1-CD 3.33Å; E214-K277 WeakPolarHBondContact OE1-CE 3.46Å; E214-K277 IonicContact OE1-NZ 3.81Å; E214-K277 PolarHBondContact OE1-NZ 2.85Å; E214-K277 IonicContact OE2-NZ 2.84Å; E214-K277 PolarHBondContact OE2-NZ 3.37Å
215	L	97.9	Very high	97.9	Very high	57 Å²	57	31.6 Å²	31.6	30%	0.298	15%	0.153	S	C	.	.			trans	-81.1	115.8	177.4	-175.4	66.7	0	0	0	110.1	I140 K150 A161 F213	I140-L215 HydrophobicContact CD1-CD1 3.98Å; K150-L215 HydrophobicContact CD-CD2 4.05Å; K150-L215 HydrophobicContact CG-CD1 4.47Å; K150-L215 HydrophobicContact CG-CD2 4.01Å; A161-L215 HydrophobicContact CB-CD1 4.08Å; F213-L215 PolarHBondContact O-N 2.77Å
216	L	97.6	Very high	97.8	Very high	24 Å²	24	37.2 Å²	37.2	13%	0.126	17%	0.174	C	C	.	.			trans	-97.2	179.6	174.5	-56.7	-176.2	0	0	0	111.9	I197 E214 L267 K277 I279	I197-L216 HydrophobicContact CD1-CD1 3.49Å; I197-L216 VanDerWaalsContact CD1-CD1 3.49Å; I197-L216 HydrophobicContact CD1-CD2 4.5Å; I197-L216 HydrophobicContact CD1-CG 3.82Å; E214-L216 HydrophobicContact CG-CD2 3.83Å; E214-L216 HydrophobicContact CG-CG 4.23Å; E214-L216 PolarHBondContact O-N 2.86Å; L216-L267 HydrophobicContact CB-CB 4.01Å; L216-L267 HydrophobicContact CB-CD2 3.91Å; L216-L267 HydrophobicContact CD1-CB 3.78Å; L216-L267 HydrophobicContact CD1-CD2 4.33Å; L216-K277 HydrophobicContact CD1-CB 3.8Å; L216-K277 HydrophobicContact CD1-CD 4.32Å; L216-K277 HydrophobicContact CD1-CG 4.41Å; L216-K277 HydrophobicContact CD2-CD 4.27Å; L216-I279 HydrophobicContact CD1-CG2 4.14Å
217	S	97.1	Very high	97.8	Very high	31 Å²	31	38 Å²	38	22%	0.217	18%	0.18	C	C	.	.			trans	-90.9	-159.7	175.4	-163.1	0	0	0	0	111.4	L267 L268	S217-L267 WeakPolarHBondContact O-CD2 3.5Å; S217-L268 WeakPolarHBondContact CA-O 3.1Å; S217-L268 VanDerWaalsContact CB-O 3.28Å; S217-L268 WeakPolarHBondContact CB-O 3.35Å; S217-L268 PolarHBondContact N-O 3.36Å
218	I	96.6	Very high	97.9	Very high	32 Å²	32	41 Å²	41	16%	0.164	19%	0.188	C	C	.	.			trans	-62.9	154.1	-177.7	64.3	175	0	0	0	112.7	E222 L223 L268	I218-E222 HydrophobicContact CB-CB 4.13Å; I218-E222 HydrophobicContact CD1-CB 4.47Å; I218-L223 HydrophobicContact CD1-CB 4.06Å; I218-L223 HydrophobicContact CD1-CD1 4.08Å; I218-L268 HydrophobicContact CD1-CD1 4.49Å; I218-L268 HydrophobicContact CG1-CD1 4.01Å; I218-L268 PolarHBondContact O-N 2.77Å
219	N	97.9	Very high	97.9	Very high	37 Å²	37	44 Å²	44	20%	0.198	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-75.8	166.2	169.9	66.6	45.6	0	0	0	112.4	Y221 E222 L223 E264 V266 L267	N219-Y221 VanDerWaalsContact C-N 3.29Å; N219-Y221 PolarHBondContact O-N 3.19Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.44Å; N219-Y221 PolarHBondContact OD1-N 3.34Å; N219-E222 PolarHBondContact O-N 2.95Å; N219-E222 WeakPolarHBondContact OD1-CG 3.13Å; N219-E222 PolarHBondContact OD1-N 2.69Å; N219-L223 PolarHBondContact O-N 3Å; N219-E264 VanDerWaalsContact CB-O 3.26Å; N219-E264 WeakPolarHBondContact CB-O 3.46Å; N219-V266 CarbonylContact C-O 3.53Å; N219-V266 VanDerWaalsContact CA-O 3.25Å; N219-V266 WeakPolarHBondContact CA-O 3.04Å; N219-L267 HydrophobicContact CB-CD1 3.63Å; N219-L267 HydrophobicContact CB-CG 4.05Å
220	L	98.5	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-27.7	-177.8	-67.2	-172.7	0	0	0	113	L223 I224 F240 P263 V266 L268 I276 L327	L220-L223 HydrophobicContact CD2-CD2 3.97Å; L220-L223 WeakPolarHBondContact O-CB 3.32Å; L220-L223 PolarHBondContact O-N 3.13Å; L220-I224 VanDerWaalsContact O-CG1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 2.99Å; L220-I224 PolarHBondContact O-N 3.18Å; L220-F240 HydrophobicContact CD2-CD1 4.33Å; L220-F240 HydrophobicContact CD2-CE1 3.91Å; L220-F240 HydrophobicContact CD2-CE2 4.2Å; L220-F240 HydrophobicContact CD2-CZ 3.84Å; L220-P263 HydrophobicContact CB-CB 4.13Å; L220-P263 PolarHBondContact N-O 2.76Å; L220-V266 HydrophobicContact CD1-CB 3.78Å; L220-V266 HydrophobicContact CD1-CG1 3.53Å; L220-V266 HydrophobicContact CG-CB 3.95Å; L220-V266 HydrophobicContact CG-CG1 3.87Å; L220-V266 WeakPolarHBondContact CG-O 3.42Å; L220-V266 PolarHBondContact N-O 3.47Å; L220-L268 HydrophobicContact CD2-CD2 4.1Å; L220-I276 HydrophobicContact CD2-CG2 4.28Å; L220-L327 HydrophobicContact CB-CD2 4.15Å; L220-L327 HydrophobicContact CD1-CD1 4.07Å; L220-L327 HydrophobicContact CD1-CD2 4.05Å
221	Y	98.2	Very high	97.8	Very high	79 Å²	79	49.4 Å²	49.4	31%	0.31	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-48.8	173.3	-179.3	-102.5	0	0	0	111.6	N219 L223 I224 K225 E264	N219-Y221 VanDerWaalsContact C-N 3.29Å; N219-Y221 PolarHBondContact O-N 3.19Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.44Å; N219-Y221 PolarHBondContact OD1-N 3.34Å; Y221-L223 PolarHBondContact O-N 2.91Å; Y221-I224 WeakPolarHBondContact O-CB 3.26Å; Y221-I224 PolarHBondContact O-N 3.24Å; Y221-I224 VanDerWaalsContact O-N 3.15Å; Y221-K225 PolarHBondContact O-N 3.06Å; Y221-E264 HydrophobicContact CG-CG 4.36Å
222	E	97.9	Very high	97.8	Very high	66 Å²	66	50.3 Å²	50.3	31%	0.308	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-32.1	175.4	-72.5	-60.1	145.8	0	0	111.4	I218 N219 K225 R226	I218-E222 HydrophobicContact CB-CB 4.13Å; I218-E222 HydrophobicContact CD1-CB 4.47Å; N219-E222 PolarHBondContact O-N 2.95Å; N219-E222 WeakPolarHBondContact OD1-CG 3.13Å; N219-E222 PolarHBondContact OD1-N 2.69Å; E222-K225 PolarHBondContact O-N 2.82Å; E222-R226 WeakPolarHBondContact O-CB 3.1Å; E222-R226 VanDerWaalsContact O-CG 3.3Å; E222-R226 WeakPolarHBondContact O-CG 3.3Å; E222-R226 PolarHBondContact O-N 3.39Å
223	L	98.1	Very high	97.8	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-44.6	172.4	-172.7	65.9	0	0	0	111.9	I218 N219 L220 Y221 K225 R226 N227 F232 F240 L268 L475	I218-L223 HydrophobicContact CD1-CB 4.06Å; I218-L223 HydrophobicContact CD1-CD1 4.08Å; N219-L223 PolarHBondContact O-N 3Å; L220-L223 HydrophobicContact CD2-CD2 3.97Å; L220-L223 WeakPolarHBondContact O-CB 3.32Å; L220-L223 PolarHBondContact O-N 3.13Å; Y221-L223 PolarHBondContact O-N 2.91Å; L223-K225 VanDerWaalsContact C-N 3.3Å; L223-K225 PolarHBondContact O-N 3.03Å; L223-R226 PolarHBondContact O-N 3.41Å; L223-N227 WeakPolarHBondContact O-CB 3.3Å; L223-N227 PolarHBondContact O-N 3.43Å; L223-F232 HydrophobicContact CB-CZ 4.35Å; L223-F232 HydrophobicContact CD2-CE1 4.47Å; L223-F232 HydrophobicContact CD2-CE2 4.41Å; L223-F232 HydrophobicContact CD2-CZ 3.96Å; L223-F232 HydrophobicContact CG-CE1 4.22Å; L223-F232 HydrophobicContact CG-CE2 4.49Å; L223-F232 HydrophobicContact CG-CZ 3.68Å; L223-F240 HydrophobicContact CD2-CE2 4.22Å; L223-F240 HydrophobicContact CD2-CZ 3.82Å; L223-L268 HydrophobicContact CD1-CD1 4.19Å; L223-L268 HydrophobicContact CD2-CD1 4.17Å; L223-L268 HydrophobicContact CD2-CD2 4.33Å; L223-L475 HydrophobicContact CD1-CD1 4.41Å
224	I	98.4	Very high	97.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-45.8	174.5	-67.7	162.6	0	0	0	110.2	L220 Y221 N227 K228 F229 F232 E326 L327	L220-I224 VanDerWaalsContact O-CG1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 2.99Å; L220-I224 PolarHBondContact O-N 3.18Å; Y221-I224 WeakPolarHBondContact O-CB 3.26Å; Y221-I224 PolarHBondContact O-N 3.24Å; Y221-I224 VanDerWaalsContact O-N 3.15Å; I224-N227 CarbonylContact O-C 3.6Å; I224-N227 VanDerWaalsContact O-C 3.31Å; I224-N227 WeakPolarHBondContact O-CA 3.39Å; I224-N227 PolarHBondContact O-N 3.02Å; I224-K228 PolarHBondContact O-N 3.19Å; I224-F229 HydrophobicContact CG2-CD1 3.61Å; I224-F229 HydrophobicContact CG2-CE1 4.17Å; I224-F229 HydrophobicContact CG2-CG 4.37Å; I224-F229 PolarHBondContact O-N 2.8Å; I224-F232 HydrophobicContact CG1-CE2 3.61Å; I224-F232 HydrophobicContact CG1-CZ 4.08Å; I224-E326 HydrophobicContact CD1-CG 3.87Å; I224-L327 HydrophobicContact CD1-CD2 4.02Å; I224-L327 HydrophobicContact CG1-CD2 4.15Å
225	K	98.1	Very high	97.6	Very high	105 Å²	105	56.1 Å²	56.1	46%	0.457	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-43.4	179.4	-176.1	179.4	175.8	-173.2	0	112.3	Y221 E222 L223 N227 K228 F229	Y221-K225 PolarHBondContact O-N 3.06Å; E222-K225 PolarHBondContact O-N 2.82Å; L223-K225 VanDerWaalsContact C-N 3.3Å; L223-K225 PolarHBondContact O-N 3.03Å; K225-N227 PolarHBondContact O-N 2.55Å; K225-K228 WeakPolarHBondContact O-CA 3.48Å; K225-K228 PolarHBondContact O-N 2.95Å; K225-F229 HydrophobicContact CB-CE1 4.41Å; K225-F229 HydrophobicContact CB-CE2 4.47Å; K225-F229 HydrophobicContact CB-CZ 3.98Å; K225-F229 HydrophobicContact CG-CE2 4.16Å; K225-F229 HydrophobicContact CG-CZ 3.91Å
226	R	97.2	Very high	97.6	Very high	119 Å²	119	54.4 Å²	54.4	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-34.3	173.6	-76.7	-178.3	-174.7	-162	-0.6	112.1	E222 L223 K228	E222-R226 WeakPolarHBondContact O-CB 3.1Å; E222-R226 VanDerWaalsContact O-CG 3.3Å; E222-R226 WeakPolarHBondContact O-CG 3.3Å; E222-R226 PolarHBondContact O-N 3.39Å; L223-R226 PolarHBondContact O-N 3.41Å; R226-K228 PolarHBondContact O-N 3.18Å
227	N	96.9	Very high	97.6	Very high	34 Å²	34	53.3 Å²	53.3	18%	0.182	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	17.1	171.7	-164.8	45.5	0	0	0	113.4	L223 I224 K225 F229 Q230 G231 F232	L223-N227 WeakPolarHBondContact O-CB 3.3Å; L223-N227 PolarHBondContact O-N 3.43Å; I224-N227 CarbonylContact O-C 3.6Å; I224-N227 VanDerWaalsContact O-C 3.31Å; I224-N227 WeakPolarHBondContact O-CA 3.39Å; I224-N227 PolarHBondContact O-N 3.02Å; K225-N227 PolarHBondContact O-N 2.55Å; N227-F229 PolarHBondContact O-N 3.4Å; N227-Q230 WeakPolarHBondContact O-CB 3.32Å; N227-Q230 WeakPolarHBondContact O-CG 3.48Å; N227-Q230 PolarHBondContact O-N 2.84Å; N227-Q230 VanDerWaalsContact O-N 3.08Å; N227-G231 PolarHBondContact ND2-O 3.42Å; N227-F232 HydrophobicContact CB-CE1 3.71Å; N227-F232 HydrophobicContact CB-CZ 4.19Å; N227-F232 WeakPolarHBondContact ND2-CE1 3.16Å
228	K	98.2	Very high	97.7	Very high	161 Å²	161	53.3 Å²	53.3	70%	0.7	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	35.9	175.5	-55.6	178.8	-178	177.7	0	113.5	I224 K225 R226 Q230	I224-K228 PolarHBondContact O-N 3.19Å; K225-K228 WeakPolarHBondContact O-CA 3.48Å; K225-K228 PolarHBondContact O-N 2.95Å; R226-K228 PolarHBondContact O-N 3.18Å; K228-Q230 HydrophobicContact CB-CG 4.46Å; K228-Q230 PolarHBondContact O-N 3.06Å; K228-Q230 VanDerWaalsContact O-N 3.11Å; K228-Q230 PolarHBondContact O-NE2 3.41Å
229	F	98	Very high	97.7	Very high	64 Å²	64	54.7 Å²	54.7	28%	0.281	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	26.2	179.1	-50.2	-86.8	0	0	0	114.2	I224 K225 N227 G231 G330 Y331	I224-F229 HydrophobicContact CG2-CD1 3.61Å; I224-F229 HydrophobicContact CG2-CE1 4.17Å; I224-F229 HydrophobicContact CG2-CG 4.37Å; I224-F229 PolarHBondContact O-N 2.8Å; K225-F229 HydrophobicContact CB-CE1 4.41Å; K225-F229 HydrophobicContact CB-CE2 4.47Å; K225-F229 HydrophobicContact CB-CZ 3.98Å; K225-F229 HydrophobicContact CG-CE2 4.16Å; K225-F229 HydrophobicContact CG-CZ 3.91Å; N227-F229 PolarHBondContact O-N 3.4Å; F229-G231 PolarHBondContact O-N 2.81Å; F229-G330 WeakPolarHBondContact CD1-O 3.36Å; F229-Y331 HydrophobicContact CB-CE2 3.89Å; F229-Y331 WeakPolarHBondContact O-CE2 3.45Å
230	Q	97.9	Very high	97.7	Very high	136 Å²	136	52.9 Å²	52.9	64%	0.636	25%	0.247	S	C	*	.			trans	-77.9	-8.2	178	-64.1	-59	-52.6	0	0	113.3	N227 K228	N227-Q230 WeakPolarHBondContact O-CB 3.32Å; N227-Q230 WeakPolarHBondContact O-CG 3.48Å; N227-Q230 PolarHBondContact O-N 2.84Å; N227-Q230 VanDerWaalsContact O-N 3.08Å; K228-Q230 HydrophobicContact CB-CG 4.46Å; K228-Q230 PolarHBondContact O-N 3.06Å; K228-Q230 VanDerWaalsContact O-N 3.11Å; K228-Q230 PolarHBondContact O-NE2 3.41Å
231	G	97.7	Very high	97.7	Very high	10 Å²	10	52.9 Å²	52.9	10%	0.103	25%	0.247	C	C	.	.			trans	76.9	168.3	-173	0	0	0	0	0	113.1	N227 F229 L328	N227-G231 PolarHBondContact ND2-O 3.42Å; F229-G231 PolarHBondContact O-N 2.81Å; G231-L328 WeakPolarHBondContact CA-O 3.49Å
232	F	98.2	Very high	97.7	Very high	19 Å²	19	55 Å²	55	8%	0.083	26%	0.255	C	S	.	.			trans	-110.6	158.3	-179.2	-60	-57.8	0	0	0	111.8	L223 I224 N227 L236 V237 L327 L328	L223-F232 HydrophobicContact CB-CZ 4.35Å; L223-F232 HydrophobicContact CD2-CE1 4.47Å; L223-F232 HydrophobicContact CD2-CE2 4.41Å; L223-F232 HydrophobicContact CD2-CZ 3.96Å; L223-F232 HydrophobicContact CG-CE1 4.22Å; L223-F232 HydrophobicContact CG-CE2 4.49Å; L223-F232 HydrophobicContact CG-CZ 3.68Å; I224-F232 HydrophobicContact CG1-CE2 3.61Å; I224-F232 HydrophobicContact CG1-CZ 4.08Å; N227-F232 HydrophobicContact CB-CE1 3.71Å; N227-F232 HydrophobicContact CB-CZ 4.19Å; N227-F232 WeakPolarHBondContact ND2-CE1 3.16Å; F232-L236 HydrophobicContact CB-CB 4.42Å; F232-L236 HydrophobicContact CB-CD2 4.12Å; F232-L236 HydrophobicContact CB-CG 4.47Å; F232-L236 HydrophobicContact CD1-CD2 3.92Å; F232-L236 HydrophobicContact CG-CD2 4.05Å; F232-V237 HydrophobicContact CB-CG2 4.03Å; F232-L327 HydrophobicContact CD2-CB 4.08Å; F232-L327 HydrophobicContact CD2-CD2 3.91Å; F232-L327 WeakPolarHBondContact CD2-O 3.44Å; F232-L327 HydrophobicContact CE2-CD2 3.73Å; F232-L327 PolarHBondContact N-O 3.21Å; F232-L328 PolarHBondContact N-O 2.87Å; F232-L328 WeakPolarHBondContact O-CD1 3.45Å
233	S	97.9	Very high	97.7	Very high	74 Å²	74	52.9 Å²	52.9	52%	0.517	25%	0.247	S	C	.	.			trans	-61.6	146	172.8	71.2	0	0	0	0	110.9	M235 L236 V237	S233-M235 PolarHBondContact O-N 3.35Å; S233-L236 PolarHBondContact O-N 3.18Å; S233-L236 PolarHBondContact OG-N 3.4Å; S233-V237 WeakPolarHBondContact O-CG2 3.42Å; S233-V237 PolarHBondContact O-N 2.89Å
234	L	96.2	Very high	97.8	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.178	24%	0.243	C	C	.	.	H	α-helix	trans	-54.3	-30.6	175.8	-81.2	171.7	0	0	0	112.7	R238 L328 D417 F420	L234-R238 VanDerWaalsContact O-CB 3.24Å; L234-R238 WeakPolarHBondContact O-CB 3.49Å; L234-R238 PolarHBondContact O-N 2.92Å; L234-L328 HydrophobicContact CD2-CD1 3.73Å; L234-L328 HydrophobicContact CD2-CD2 3.97Å; L234-L328 HydrophobicContact CD2-CG 4.47Å; L234-L328 HydrophobicContact CG-CD1 3.87Å; L234-D417 HydrophobicContact CD1-CB 4.12Å; L234-F420 HydrophobicContact CD2-CB 4.09Å; L234-F420 HydrophobicContact CD2-CD1 3.97Å; L234-F420 HydrophobicContact CD2-CD2 4.21Å; L234-F420 HydrophobicContact CD2-CE1 4.45Å; L234-F420 HydrophobicContact CD2-CG 3.81Å
235	M	95.8	Very high	97.8	Very high	81 Å²	81	52.1 Å²	52.1	40%	0.399	24%	0.243	S	C	.	.	H	α-helix	trans	-64.7	-43.2	174.9	-70.3	-179.8	65.8	0	0	112.6	S233 R238 K239 L451	S233-M235 PolarHBondContact O-N 3.35Å; M235-R238 WeakPolarHBondContact O-CB 3.44Å; M235-R238 PolarHBondContact O-N 2.85Å; M235-K239 PolarHBondContact O-N 3.43Å; M235-K239 VanDerWaalsContact O-N 3.15Å; M235-L451 HydrophobicContact CE-CD2 3.56Å
236	L	97.1	Very high	97.8	Very high	22 Å²	22	49 Å²	49	12%	0.115	23%	0.231	C	C	.	.	H	α-helix	trans	-71.1	-42.1	177.1	-178.1	57.3	0	0	0	111.3	F232 S233 R238 K239 F240 L475	F232-L236 HydrophobicContact CB-CB 4.42Å; F232-L236 HydrophobicContact CB-CD2 4.12Å; F232-L236 HydrophobicContact CB-CG 4.47Å; F232-L236 HydrophobicContact CD1-CD2 3.92Å; F232-L236 HydrophobicContact CG-CD2 4.05Å; S233-L236 PolarHBondContact O-N 3.18Å; S233-L236 PolarHBondContact OG-N 3.4Å; L236-R238 PolarHBondContact O-N 3.06Å; L236-K239 WeakPolarHBondContact O-CB 3.46Å; L236-K239 PolarHBondContact O-N 2.96Å; L236-K239 VanDerWaalsContact O-N 3.09Å; L236-F240 HydrophobicContact CD1-CD2 4.29Å; L236-F240 HydrophobicContact CD1-CE1 4.37Å; L236-F240 HydrophobicContact CD1-CE2 3.76Å; L236-F240 HydrophobicContact CD1-CZ 3.8Å; L236-F240 HydrophobicContact CD2-CE2 3.99Å; L236-F240 HydrophobicContact CD2-CZ 4.4Å; L236-F240 HydrophobicContact CG-CD2 4.06Å; L236-F240 HydrophobicContact CG-CE2 3.55Å; L236-F240 HydrophobicContact CG-CZ 4.08Å; L236-F240 WeakPolarHBondContact O-CD2 3.5Å; L236-F240 PolarHBondContact O-N 3.18Å; L236-L475 HydrophobicContact CD1-CD2 4.04Å; L236-L475 HydrophobicContact CD2-CD2 3.76Å
237	V	98.6	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-40.8	173.6	179.5	0	0	0	0	110.8	F232 S233 F240 A241 L324 L327 L328 F420 W446	F232-V237 HydrophobicContact CB-CG2 4.03Å; S233-V237 WeakPolarHBondContact O-CG2 3.42Å; S233-V237 PolarHBondContact O-N 2.89Å; V237-F240 PolarHBondContact O-N 3.06Å; V237-A241 WeakPolarHBondContact O-CB 3.49Å; V237-A241 PolarHBondContact O-N 3.34Å; V237-L324 HydrophobicContact CG1-CB 4.21Å; V237-L324 HydrophobicContact CG1-CD2 3.96Å; V237-L327 HydrophobicContact CG1-CB 4.49Å; V237-L327 HydrophobicContact CG2-CB 4.07Å; V237-L328 HydrophobicContact CG2-CB 4.18Å; V237-L328 HydrophobicContact CG2-CD1 4.42Å; V237-F420 HydrophobicContact CG1-CE2 4.07Å; V237-F420 HydrophobicContact CG1-CZ 4.3Å; V237-W446 HydrophobicContact CG1-CH2 4.2Å; V237-W446 HydrophobicContact CG1-CZ2 4.3Å
238	R	97.6	Very high	97.9	Very high	31 Å²	31	42 Å²	42	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-42.2	174.9	-172.7	-177.8	-63.4	99.6	6.9	112.9	L234 M235 L236 A241 Y242 W446 L447	L234-R238 VanDerWaalsContact O-CB 3.24Å; L234-R238 WeakPolarHBondContact O-CB 3.49Å; L234-R238 PolarHBondContact O-N 2.92Å; M235-R238 WeakPolarHBondContact O-CB 3.44Å; M235-R238 PolarHBondContact O-N 2.85Å; L236-R238 PolarHBondContact O-N 3.06Å; R238-A241 PolarHBondContact O-N 2.87Å; R238-Y242 PolarHBondContact O-N 3.15Å; R238-W446 HydrophobicContact CB-CH2 4.31Å; R238-W446 HydrophobicContact CB-CZ2 3.91Å; R238-W446 WeakPolarHBondContact CD-O 3.26Å; R238-W446 HydrophobicContact CG-CZ2 4.4Å; R238-W446 PolarHBondContact NE-O 3.45Å; R238-L447 HydrophobicContact CG-CD2 3.67Å
239	K	97.1	Very high	98	Very high	61 Å²	61	35.3 Å²	35.3	27%	0.265	18%	0.175	S	C	.	.	H	α-helix	trans	-61.3	-46.5	175.6	-72.1	179.3	-177.5	174.3	0	110.8	M235 L236 Y242 S243 E473	M235-K239 PolarHBondContact O-N 3.43Å; M235-K239 VanDerWaalsContact O-N 3.15Å; L236-K239 WeakPolarHBondContact O-CB 3.46Å; L236-K239 PolarHBondContact O-N 2.96Å; L236-K239 VanDerWaalsContact O-N 3.09Å; K239-Y242 PolarHBondContact O-N 3.34Å; K239-S243 PolarHBondContact O-N 3.06Å; K239-S243 VanDerWaalsContact O-N 3.09Å; K239-S243 PolarHBondContact O-OG 3.04Å; K239-E473 IonicContact NZ-OE2 3Å; K239-E473 PolarHBondContact NZ-OE2 3.26Å
240	F	98.6	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.2	-67.1	-43.5	0	0	0	112.6	L220 L223 L236 V237 Y242 S243 M244 L268 S274 I276 L327	L220-F240 HydrophobicContact CD2-CD1 4.33Å; L220-F240 HydrophobicContact CD2-CE1 3.91Å; L220-F240 HydrophobicContact CD2-CE2 4.2Å; L220-F240 HydrophobicContact CD2-CZ 3.84Å; L223-F240 HydrophobicContact CD2-CE2 4.22Å; L223-F240 HydrophobicContact CD2-CZ 3.82Å; L236-F240 HydrophobicContact CD1-CD2 4.29Å; L236-F240 HydrophobicContact CD1-CE1 4.37Å; L236-F240 HydrophobicContact CD1-CE2 3.76Å; L236-F240 HydrophobicContact CD1-CZ 3.8Å; L236-F240 HydrophobicContact CD2-CE2 3.99Å; L236-F240 HydrophobicContact CD2-CZ 4.4Å; L236-F240 HydrophobicContact CG-CD2 4.06Å; L236-F240 HydrophobicContact CG-CE2 3.55Å; L236-F240 HydrophobicContact CG-CZ 4.08Å; L236-F240 WeakPolarHBondContact O-CD2 3.5Å; L236-F240 PolarHBondContact O-N 3.18Å; V237-F240 PolarHBondContact O-N 3.06Å; F240-Y242 PolarHBondContact O-N 3.11Å; F240-S243 PolarHBondContact O-N 2.9Å; F240-M244 HydrophobicContact CB-CE 4.17Å; F240-M244 WeakPolarHBondContact O-CE 3.36Å; F240-M244 WeakPolarHBondContact O-CG 3.44Å; F240-M244 PolarHBondContact O-N 3.43Å; F240-L268 HydrophobicContact CE1-CD2 3.87Å; F240-L268 HydrophobicContact CZ-CD2 4.15Å; F240-S274 WeakPolarHBondContact CE1-O 3.42Å; F240-I276 HydrophobicContact CD1-CG2 3.69Å; F240-I276 HydrophobicContact CE1-CG2 3.7Å; F240-L327 HydrophobicContact CB-CD1 4.14Å; F240-L327 HydrophobicContact CD2-CD1 4.06Å; F240-L327 HydrophobicContact CG-CD1 4.46Å
241	A	98.7	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.9	-49.3	175.5	0	0	0	0	0	111.7	V237 R238 S243 M244 L245 L324 W446 L447	V237-A241 WeakPolarHBondContact O-CB 3.49Å; V237-A241 PolarHBondContact O-N 3.34Å; R238-A241 PolarHBondContact O-N 2.87Å; A241-S243 PolarHBondContact O-N 3.27Å; A241-M244 PolarHBondContact O-N 3.32Å; A241-L245 WeakPolarHBondContact O-CB 3.46Å; A241-L245 WeakPolarHBondContact O-CD1 3.43Å; A241-L245 WeakPolarHBondContact O-CG 3.3Å; A241-L245 PolarHBondContact O-N 3.36Å; A241-L324 HydrophobicContact CB-CD1 3.77Å; A241-L324 HydrophobicContact CB-CD2 3.61Å; A241-L324 HydrophobicContact CB-CG 4.35Å; A241-W446 HydrophobicContact CB-CH2 3.64Å; A241-W446 HydrophobicContact CB-CZ3 3.6Å; A241-L447 HydrophobicContact CB-CD2 4.1Å
242	Y	98.3	Very high	98	Very high	124 Å²	124	28.1 Å²	28.1	49%	0.486	14%	0.139	S	C	.	.	H	α-helix	trans	-58.5	-48.9	178.2	-177.5	-97	0	0	0	111.6	R238 K239 F240 M244 L245 L246 L442	R238-Y242 PolarHBondContact O-N 3.15Å; K239-Y242 PolarHBondContact O-N 3.34Å; F240-Y242 PolarHBondContact O-N 3.11Å; Y242-M244 PolarHBondContact O-N 3.25Å; Y242-L245 PolarHBondContact O-N 3.15Å; Y242-L246 HydrophobicContact CD1-CD1 4.18Å; Y242-L246 HydrophobicContact CD1-CG 4.47Å; Y242-L246 HydrophobicContact CE1-CD1 3.66Å; Y242-L246 HydrophobicContact CE1-CD2 4.34Å; Y242-L246 HydrophobicContact CE1-CG 4.13Å; Y242-L246 WeakPolarHBondContact O-CG 3.25Å; Y242-L246 PolarHBondContact O-N 2.95Å; Y242-L246 VanDerWaalsContact O-N 3.12Å; Y242-L442 HydrophobicContact CD2-CD2 3.77Å; Y242-L442 HydrophobicContact CE2-CD2 3.77Å
243	S	98.1	Very high	97.9	Very high	20 Å²	20	33.7 Å²	33.7	14%	0.14	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-39.4	-179.9	-64.5	0	0	0	0	113.5	N195 K239 F240 A241 L246 I276	N195-S243 PolarHBondContact ND2-O 3.37Å; K239-S243 PolarHBondContact O-N 3.06Å; K239-S243 VanDerWaalsContact O-N 3.09Å; K239-S243 PolarHBondContact O-OG 3.04Å; F240-S243 PolarHBondContact O-N 2.9Å; A241-S243 PolarHBondContact O-N 3.27Å; S243-L246 PolarHBondContact O-N 3.13Å; S243-I276 VanDerWaalsContact CB-CG1 3.42Å
244	M	98.8	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.7	-38.2	175	-73.3	-175.3	-75.1	0	0	111.5	F240 A241 Y242 L246 C247 L248 V266 I276 L320 I323 L324 L327	F240-M244 HydrophobicContact CB-CE 4.17Å; F240-M244 WeakPolarHBondContact O-CE 3.36Å; F240-M244 WeakPolarHBondContact O-CG 3.44Å; F240-M244 PolarHBondContact O-N 3.43Å; A241-M244 PolarHBondContact O-N 3.32Å; Y242-M244 PolarHBondContact O-N 3.25Å; M244-L246 VanDerWaalsContact C-N 3.32Å; M244-L246 PolarHBondContact O-N 3.47Å; M244-C247 WeakPolarHBondContact O-CB 3.22Å; M244-C247 PolarHBondContact O-N 2.9Å; M244-C247 VanDerWaalsContact O-N 3.13Å; M244-L248 WeakPolarHBondContact O-CG 3.48Å; M244-L248 PolarHBondContact O-N 3.49Å; M244-V266 HydrophobicContact CG-CG1 4.29Å; M244-V266 HydrophobicContact CG-CG2 4.43Å; M244-V266 HydrophobicContact SD-CG1 4.37Å; M244-V266 HydrophobicContact SD-CG2 3.94Å; M244-I276 HydrophobicContact CG-CD1 4.05Å; M244-L320 HydrophobicContact CB-CD1 3.93Å; M244-L320 HydrophobicContact CE-CD1 3.59Å; M244-L320 HydrophobicContact SD-CD1 3.92Å; M244-I323 HydrophobicContact CE-CG2 4.06Å; M244-I323 HydrophobicContact SD-CG2 4.19Å; M244-L324 HydrophobicContact CE-CD2 3.6Å; M244-L327 HydrophobicContact CE-CD1 4.31Å
245	L	98.8	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.7	-31.9	177.8	-77	166.8	0	0	0	113.4	A241 Y242 C247 L248 D249 M317 L320 F423 P438 A441 L442 L447	A241-L245 WeakPolarHBondContact O-CB 3.46Å; A241-L245 WeakPolarHBondContact O-CD1 3.43Å; A241-L245 WeakPolarHBondContact O-CG 3.3Å; A241-L245 PolarHBondContact O-N 3.36Å; Y242-L245 PolarHBondContact O-N 3.15Å; L245-C247 VanDerWaalsContact C-N 3.26Å; L245-C247 PolarHBondContact O-N 2.83Å; L245-L248 PolarHBondContact O-N 2.95Å; L245-D249 VanDerWaalsContact O-CB 3.24Å; L245-D249 WeakPolarHBondContact O-CB 3.35Å; L245-D249 PolarHBondContact O-N 3.26Å; L245-M317 HydrophobicContact CD2-CE 4.08Å; L245-M317 HydrophobicContact CD2-SD 3.98Å; L245-L320 HydrophobicContact CD2-CD2 3.59Å; L245-L320 HydrophobicContact CG-CD2 3.93Å; L245-F423 HydrophobicContact CD1-CZ 4.14Å; L245-P438 HydrophobicContact CD2-CB 4.06Å; L245-A441 HydrophobicContact CD1-CB 3.83Å; L245-A441 HydrophobicContact CD2-CB 3.56Å; L245-A441 HydrophobicContact CG-CB 4.37Å; L245-L442 HydrophobicContact CB-CD2 3.75Å; L245-L442 HydrophobicContact CB-CG 4Å; L245-L442 HydrophobicContact CD1-CD2 4.26Å; L245-L442 HydrophobicContact CD1-CG 4.44Å; L245-L447 HydrophobicContact CD1-CD1 3.27Å
246	L	98.1	Very high	98.1	Very high	38 Å²	38	32.6 Å²	32.6	20%	0.199	14%	0.143	C	C	.	.	H	α-helix	trans	-61.4	-37.4	172.4	-65.2	179.8	0	0	0	111.8	T193 Y242 S243 M244 L250 L442	T193-L246 WeakPolarHBondContact O-CD1 3.45Å; Y242-L246 HydrophobicContact CD1-CD1 4.18Å; Y242-L246 HydrophobicContact CD1-CG 4.47Å; Y242-L246 HydrophobicContact CE1-CD1 3.66Å; Y242-L246 HydrophobicContact CE1-CD2 4.34Å; Y242-L246 HydrophobicContact CE1-CG 4.13Å; Y242-L246 WeakPolarHBondContact O-CG 3.25Å; Y242-L246 PolarHBondContact O-N 2.95Å; Y242-L246 VanDerWaalsContact O-N 3.12Å; S243-L246 PolarHBondContact O-N 3.13Å; M244-L246 VanDerWaalsContact C-N 3.32Å; M244-L246 PolarHBondContact O-N 3.47Å; L246-L250 PolarHBondContact O-N 2.97Å; L246-L442 HydrophobicContact CD2-CD2 4.4Å
247	C	98.6	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.8	-54.2	172.8	174.5	0	0	0	0	110.5	H194 I196 M244 L245 D249 L250 L251 V278	H194-C247 WeakPolarHBondContact O-CA 3.4Å; H194-C247 VanDerWaalsContact O-CB 3.25Å; H194-C247 WeakPolarHBondContact O-CB 3.5Å; H194-C247 PolarHBondContact O-N 3.42Å; I196-C247 HydrophobicContact CG1-CB 4.25Å; I196-C247 VanDerWaalsContact CG1-SG 3.56Å; M244-C247 WeakPolarHBondContact O-CB 3.22Å; M244-C247 PolarHBondContact O-N 2.9Å; M244-C247 VanDerWaalsContact O-N 3.13Å; L245-C247 VanDerWaalsContact C-N 3.26Å; L245-C247 PolarHBondContact O-N 2.83Å; C247-D249 VanDerWaalsContact C-N 3.28Å; C247-D249 PolarHBondContact O-N 3.05Å; C247-L250 PolarHBondContact O-N 2.92Å; C247-L251 WeakPolarHBondContact O-CG 3.17Å; C247-L251 PolarHBondContact O-N 3.34Å; C247-V278 HydrophobicContact CB-CB 4.46Å; C247-V278 HydrophobicContact CB-CG2 3.85Å
248	L	98.7	Very high	98.1	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-33	-176.2	-63.2	-177.8	0	0	0	113.2	M244 L245 L251 Q252 L261 D316 M317 L320 P438	M244-L248 WeakPolarHBondContact O-CG 3.48Å; M244-L248 PolarHBondContact O-N 3.49Å; L245-L248 PolarHBondContact O-N 2.95Å; L248-L251 HydrophobicContact CD2-CD1 4.2Å; L248-L251 PolarHBondContact O-N 3.46Å; L248-Q252 WeakPolarHBondContact O-CB 3.49Å; L248-Q252 PolarHBondContact O-N 2.84Å; L248-L261 HydrophobicContact CD1-CD2 4.2Å; L248-L261 HydrophobicContact CD2-CD2 4.25Å; L248-D316 HydrophobicContact CD2-CB 3.9Å; L248-M317 HydrophobicContact CD1-SD 3.94Å; L248-L320 HydrophobicContact CD1-CB 4.23Å; L248-L320 HydrophobicContact CD1-CD2 4.13Å; L248-P438 HydrophobicContact CB-CB 4.06Å; L248-P438 HydrophobicContact CB-CG 3.7Å
249	D	98.4	Very high	98.1	Very high	21 Å²	21	30.1 Å²	30.1	11%	0.112	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-40.1	174.9	-172.9	68	0	0	0	111.8	L245 C247 Q252 K253 P438 L442	L245-D249 VanDerWaalsContact O-CB 3.24Å; L245-D249 WeakPolarHBondContact O-CB 3.35Å; L245-D249 PolarHBondContact O-N 3.26Å; C247-D249 VanDerWaalsContact C-N 3.28Å; C247-D249 PolarHBondContact O-N 3.05Å; D249-Q252 PolarHBondContact O-N 3.11Å; D249-K253 WeakPolarHBondContact O-CG 3.43Å; D249-K253 PolarHBondContact O-N 3.18Å; D249-K253 VanDerWaalsContact OD2-CE 3.22Å; D249-K253 WeakPolarHBondContact OD2-CE 3.25Å; D249-K253 IonicContact OD2-NZ 3.76Å; D249-K253 PolarHBondContact OD2-NZ 3.08Å; D249-P438 HydrophobicContact CB-CB 3.98Å; D249-L442 HydrophobicContact CB-CD1 4.15Å
250	L	97.9	Very high	98.1	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	12%	0.123	C	C	.	.	H	α-helix	trans	-67	-41.5	173.6	-171.8	65.5	0	0	0	111.8	L185 Q188 D189 H194 I196 L246 C247 Q252 K253 N254	L185-L250 HydrophobicContact CD2-CD2 4.07Å; L185-L250 HydrophobicContact CD2-CG 4.22Å; Q188-L250 HydrophobicContact CB-CD1 4.09Å; Q188-L250 HydrophobicContact CB-CD2 4.31Å; D189-L250 HydrophobicContact CB-CD2 4.44Å; H194-L250 HydrophobicContact CB-CB 4.34Å; H194-L250 HydrophobicContact CB-CD2 3.83Å; I196-L250 HydrophobicContact CD1-CD2 3.65Å; L246-L250 PolarHBondContact O-N 2.97Å; C247-L250 PolarHBondContact O-N 2.92Å; L250-Q252 VanDerWaalsContact C-N 3.31Å; L250-Q252 PolarHBondContact O-N 3.29Å; L250-K253 PolarHBondContact O-N 2.92Å; L250-N254 PolarHBondContact O-N 2.94Å; L250-N254 VanDerWaalsContact O-N 3.16Å; L250-N254 PolarHBondContact O-ND2 3.46Å
251	L	98.3	Very high	98.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-60.5	-44	175.8	-59.9	-170.5	0	0	0	110.8	L185 C247 L248 K253 N254 R255 L256 H258 F281	L185-L251 HydrophobicContact CD1-CD2 3.72Å; L185-L251 HydrophobicContact CD2-CD2 3.94Å; C247-L251 WeakPolarHBondContact O-CG 3.17Å; C247-L251 PolarHBondContact O-N 3.34Å; L248-L251 HydrophobicContact CD2-CD1 4.2Å; L248-L251 PolarHBondContact O-N 3.46Å; L251-K253 PolarHBondContact O-N 2.78Å; L251-N254 CarbonylContact O-C 3.57Å; L251-N254 PolarHBondContact O-N 2.78Å; L251-N254 VanDerWaalsContact O-N 3.08Å; L251-R255 PolarHBondContact O-N 3.22Å; L251-L256 HydrophobicContact CB-CB 4.16Å; L251-L256 HydrophobicContact CD2-CB 4.24Å; L251-L256 HydrophobicContact CD2-CD1 4.38Å; L251-L256 PolarHBondContact O-N 3.47Å; L251-H258 HydrophobicContact CD1-CB 4.04Å; L251-F281 HydrophobicContact CD1-CE1 4.1Å; L251-F281 HydrophobicContact CD2-CE1 3.78Å; L251-F281 HydrophobicContact CD2-CZ 4.39Å
252	Q	97.8	Very high	98.1	Very high	51 Å²	51	29.2 Å²	29.2	24%	0.238	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-44.6	178.1	-173.7	176.5	-95.3	0	0	112.2	L248 D249 L250 N254 R255 M313 P438	L248-Q252 WeakPolarHBondContact O-CB 3.49Å; L248-Q252 PolarHBondContact O-N 2.84Å; D249-Q252 PolarHBondContact O-N 3.11Å; L250-Q252 VanDerWaalsContact C-N 3.31Å; L250-Q252 PolarHBondContact O-N 3.29Å; Q252-N254 PolarHBondContact O-N 3.43Å; Q252-R255 PolarHBondContact O-N 2.93Å; Q252-M313 HydrophobicContact CB-SD 4.24Å; Q252-M313 HydrophobicContact CG-CE 4.31Å; Q252-M313 HydrophobicContact CG-SD 3.88Å; Q252-P438 HydrophobicContact CB-CG 4.44Å
253	K	97.3	Very high	98.2	Very high	137 Å²	137	23.3 Å²	23.3	60%	0.596	11%	0.106	S	C	*	.	H	α-helix	trans	-59.6	-29.1	175.8	-74.6	164.8	175.3	161	0	112.9	D249 L250 L251	D249-K253 WeakPolarHBondContact O-CG 3.43Å; D249-K253 PolarHBondContact O-N 3.18Å; D249-K253 VanDerWaalsContact OD2-CE 3.22Å; D249-K253 WeakPolarHBondContact OD2-CE 3.25Å; D249-K253 IonicContact OD2-NZ 3.76Å; D249-K253 PolarHBondContact OD2-NZ 3.08Å; L250-K253 PolarHBondContact O-N 2.92Å; L251-K253 PolarHBondContact O-N 2.78Å
254	N	97.4	Very high	98.1	Very high	24 Å²	24	25.5 Å²	25.5	13%	0.128	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	5.1	178.8	-74.5	-81.1	0	0	0	113.8	H184 Q188 L250 L251 Q252 L256	H184-N254 PolarHBondContact NE2-OD1 2.88Å; Q188-N254 PolarHBondContact NE2-ND2 3.24Å; Q188-N254 PolarHBondContact NE2-OD1 2.88Å; Q188-N254 PolarHBondContact OE1-ND2 3.1Å; Q188-N254 PolarHBondContact OE1-OD1 3.02Å; L250-N254 PolarHBondContact O-N 2.94Å; L250-N254 VanDerWaalsContact O-N 3.16Å; L250-N254 PolarHBondContact O-ND2 3.46Å; L251-N254 CarbonylContact O-C 3.57Å; L251-N254 PolarHBondContact O-N 2.78Å; L251-N254 VanDerWaalsContact O-N 3.08Å; Q252-N254 PolarHBondContact O-N 3.43Å; N254-L256 HydrophobicContact CB-CD1 3.84Å; N254-L256 HydrophobicContact CB-CG 4.18Å; N254-L256 PolarHBondContact O-N 3.33Å
255	R	97.6	Very high	98.1	Very high	139 Å²	139	26 Å²	26	53%	0.525	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	37.5	-175.4	-55.5	-175.4	64.9	-174.5	-2.6	112.8	L251 Q252 F286 D287	L251-R255 PolarHBondContact O-N 3.22Å; Q252-R255 PolarHBondContact O-N 2.93Å; R255-F286 CarbonylContact O-C 3.4Å; R255-F286 WeakPolarHBondContact O-CA 3.02Å; R255-D287 HydrophobicContact CB-CB 4.24Å; R255-D287 IonicContact CZ-OD2 3.15Å; R255-D287 IonicContact NE-OD2 3.03Å; R255-D287 IonicContact NH2-OD2 2.7Å; R255-D287 PolarHBondContact NH2-OD2 3.2Å; R255-D287 WeakPolarHBondContact O-CB 3.36Å; R255-D287 PolarHBondContact O-N 3.48Å
256	L	97.8	Very high	98.1	Very high	3 Å²	3	26 Å²	26	2%	0.016	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.9	179.2	-79	167.1	0	0	0	110.7	I181 L185 L251 N254 F286	I181-L256 HydrophobicContact CD1-CD2 4.02Å; I181-L256 HydrophobicContact CG1-CD2 3.99Å; I181-L256 HydrophobicContact CG2-CD1 4.05Å; I181-L256 HydrophobicContact CG2-CD2 4.2Å; L185-L256 HydrophobicContact CD1-CD1 4.2Å; L185-L256 HydrophobicContact CD2-CD1 3.82Å; L185-L256 HydrophobicContact CG-CD1 4.07Å; L251-L256 HydrophobicContact CB-CB 4.16Å; L251-L256 HydrophobicContact CD2-CB 4.24Å; L251-L256 HydrophobicContact CD2-CD1 4.38Å; L251-L256 PolarHBondContact O-N 3.47Å; N254-L256 HydrophobicContact CB-CD1 3.84Å; N254-L256 HydrophobicContact CB-CG 4.18Å; N254-L256 PolarHBondContact O-N 3.33Å; L256-F286 HydrophobicContact CD1-CE1 4.27Å; L256-F286 HydrophobicContact CD2-CD1 3.57Å; L256-F286 HydrophobicContact CD2-CD2 3.98Å; L256-F286 HydrophobicContact CD2-CE1 3.55Å; L256-F286 HydrophobicContact CD2-CE2 3.94Å; L256-F286 HydrophobicContact CD2-CG 3.8Å; L256-F286 HydrophobicContact CD2-CZ 3.75Å; L256-F286 HydrophobicContact CG-CD1 3.93Å; L256-F286 HydrophobicContact CG-CE1 3.79Å; L256-F286 HydrophobicContact CG-CZ 4.35Å
257	I	98.4	Very high	98.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.3	175.2	-43.6	171.8	0	0	0	107.2	C259 S284 C285 D287 R290 Y311 M313 I315	I257-C259 VanDerWaalsContact CG2-SG 3.5Å; I257-S284 WeakPolarHBondContact O-CA 3.48Å; I257-S284 WeakPolarHBondContact O-CB 3.32Å; I257-C285 PolarHBondContact N-O 2.78Å; I257-C285 PolarHBondContact O-N 3.48Å; I257-C285 VanDerWaalsContact O-N 3.08Å; I257-D287 HydrophobicContact CD1-CB 4.38Å; I257-R290 HydrophobicContact CD1-CG 4.47Å; I257-Y311 HydrophobicContact CD1-CD2 4.22Å; I257-Y311 HydrophobicContact CD1-CE2 4.05Å; I257-M313 HydrophobicContact CG1-CG 3.92Å; I257-I315 HydrophobicContact CG2-CD1 3.57Å; I257-I315 HydrophobicContact CG2-CG1 3.66Å
258	H	98.4	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.115	C	C	.	.			trans	-70	-37.2	178.4	-173.5	-82	0	0	0	111.7	L251 D260 L261 I279 D280 F281 S284 D316	L251-H258 HydrophobicContact CD1-CB 4.04Å; H258-D260 PolarHBondContact CE1-O 3.29Å; H258-D260 PolarHBondContact ND1-N 3.14Å; H258-D260 PolarHBondContact O-N 3.15Å; H258-L261 PolarHBondContact ND1-N 2.81Å; H258-L261 VanDerWaalsContact ND1-N 3.18Å; H258-I279 PolarHBondContact NE2-O 3.19Å; H258-D280 PolarHBondContact CE1-O 2.79Å; H258-D280 PolarHBondContact NE2-O 2.96Å; H258-F281 AromaticContact CD2-CE1 3.89Å; H258-F281 AromaticContact CD2-CZ 3.92Å; H258-S284 WeakPolarHBondContact CA-OG 3.3Å; H258-S284 PolarHBondContact O-OG 3Å; H258-D316 PolarHBondContact N-OD2 2.98Å
259	C	97.9	Very high	98	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	13%	0.128	C	C	.	.	S	Bend	trans	64.6	-8.3	176.3	-60.2	0	0	0	0	116.7	I257 S283 I295 Q296 D316	I257-C259 VanDerWaalsContact CG2-SG 3.5Å; C259-S283 VanDerWaalsContact CB-O 3.32Å; C259-S283 WeakPolarHBondContact CB-O 3.33Å; C259-I295 HydrophobicContact CB-CB 4.48Å; C259-I295 HydrophobicContact CB-CD1 4.2Å; C259-Q296 WeakPolarHBondContact O-CA 3.39Å; C259-Q296 WeakPolarHBondContact O-CG 3.46Å; C259-Q296 PolarHBondContact O-N 3.29Å; C259-D316 PolarHBondContact N-OD1 2.8Å; C259-D316 VanDerWaalsContact N-OD1 3.14Å
260	D	97.4	Very high	97.9	Very high	10 Å²	10	34 Å²	34	5%	0.053	15%	0.152	C	C	.	.			trans	-144.6	44.9	173.5	-161.4	34.2	0	0	0	114.1	H258 K262 N265 S297	H258-D260 PolarHBondContact CE1-O 3.29Å; H258-D260 PolarHBondContact ND1-N 3.14Å; H258-D260 PolarHBondContact O-N 3.15Å; D260-K262 PolarHBondContact O-N 2.93Å; D260-K262 IonicContact OD1-NZ 3.46Å; D260-K262 IonicContact OD2-NZ 2.99Å; D260-K262 PolarHBondContact OD2-NZ 3.18Å; D260-N265 PolarHBondContact O-ND2 3.41Å; D260-N265 PolarHBondContact OD2-ND2 2.83Å; D260-S297 WeakPolarHBondContact OD1-CB 3.32Å; D260-S297 PolarHBondContact OD1-N 3.05Å; D260-S297 PolarHBondContact OD1-OG 3.42Å
261	L	98.6	Very high	97.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	18%	0.178	C	C	.	.			trans	-73.2	123.2	177.2	-167.7	74.8	0	0	0	110.5	L248 H258 V266 V278 S319 L320 I323	L248-L261 HydrophobicContact CD1-CD2 4.2Å; L248-L261 HydrophobicContact CD2-CD2 4.25Å; H258-L261 PolarHBondContact ND1-N 2.81Å; H258-L261 VanDerWaalsContact ND1-N 3.18Å; L261-V266 HydrophobicContact CD1-CG2 4.29Å; L261-V278 HydrophobicContact CD1-CG1 3.83Å; L261-V278 HydrophobicContact CD1-CG2 4.37Å; L261-S319 WeakPolarHBondContact O-CB 3.47Å; L261-L320 HydrophobicContact CD2-CB 4.42Å; L261-I323 HydrophobicContact CD2-CD1 3.99Å; L261-I323 HydrophobicContact CG-CD1 3.71Å
262	K	98.7	Very high	97.1	Very high	31 Å²	31	40.6 Å²	40.6	14%	0.135	19%	0.189	C	C	.	.	S	Bend	trans	-160	165.1	-177.5	64.9	-167.4	-175.9	-153.8	0	110.6	D260 E264 N265 S297 Y300	D260-K262 PolarHBondContact O-N 2.93Å; D260-K262 IonicContact OD1-NZ 3.46Å; D260-K262 IonicContact OD2-NZ 2.99Å; D260-K262 PolarHBondContact OD2-NZ 3.18Å; K262-E264 HydrophobicContact CG-CB 4.23Å; K262-E264 WeakPolarHBondContact CG-OE2 3.43Å; K262-E264 PolarHBondContact O-N 3.45Å; K262-N265 WeakPolarHBondContact CE-ND2 3.34Å; K262-N265 HydrophobicContact CG-CB 4.05Å; K262-N265 PolarHBondContact O-N 3.05Å; K262-S297 VanDerWaalsContact CD-OG 3.3Å; K262-S297 WeakPolarHBondContact CD-OG 3.41Å; K262-S297 PolarHBondContact NZ-OG 3.27Å; K262-S297 VanDerWaalsContact NZ-OG 3.14Å; K262-Y300 HydrophobicContact CB-CD2 3.52Å; K262-Y300 HydrophobicContact CB-CE2 3.57Å; K262-Y300 HydrophobicContact CB-CG 4.15Å
263	P	98.7	Very high	96.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-58.1	-31.6	-178.1	-24.8	36	0	0	0	113.9	L220 N265 V266 Y300 I323	L220-P263 HydrophobicContact CB-CB 4.13Å; L220-P263 PolarHBondContact N-O 2.76Å; P263-N265 VanDerWaalsContact C-N 3.26Å; P263-N265 PolarHBondContact O-N 3.05Å; P263-V266 PolarHBondContact O-N 2.83Å; P263-Y300 WeakPolarHBondContact CD-OH 3.48Å; P263-Y300 HydrophobicContact CG-CE1 4.05Å; P263-Y300 WeakPolarHBondContact CG-OH 3.32Å; P263-I323 HydrophobicContact CG-CG1 4.23Å; P263-I323 HydrophobicContact CG-CG2 4.43Å
264	E	97.6	Very high	96.8	Very high	66 Å²	66	37.9 Å²	37.9	31%	0.308	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-67.4	-26.1	176	-59.4	93.7	140.5	0	0	113.2	N219 Y221 K262 L267	N219-E264 VanDerWaalsContact CB-O 3.26Å; N219-E264 WeakPolarHBondContact CB-O 3.46Å; Y221-E264 HydrophobicContact CG-CG 4.36Å; K262-E264 HydrophobicContact CG-CB 4.23Å; K262-E264 WeakPolarHBondContact CG-OE2 3.43Å; K262-E264 PolarHBondContact O-N 3.45Å; E264-L267 WeakPolarHBondContact O-CD1 3.31Å
265	N	98.4	Very high	96.7	Very high	10 Å²	10	38 Å²	38	5%	0.053	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-97.9	16.2	-179	-72.3	-6.2	0	0	0	112.9	D260 K262 P263 I279	D260-N265 PolarHBondContact O-ND2 3.41Å; D260-N265 PolarHBondContact OD2-ND2 2.83Å; K262-N265 WeakPolarHBondContact CE-ND2 3.34Å; K262-N265 HydrophobicContact CG-CB 4.05Å; K262-N265 PolarHBondContact O-N 3.05Å; P263-N265 VanDerWaalsContact C-N 3.26Å; P263-N265 PolarHBondContact O-N 3.05Å; N265-I279 HydrophobicContact CB-CG1 4.15Å; N265-I279 WeakPolarHBondContact O-CG1 3.3Å; N265-I279 PolarHBondContact O-N 3.32Å
266	V	98.7	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	113.4	171.7	-175.4	0	0	0	0	108.3	N219 L220 M244 L261 P263 I276	N219-V266 CarbonylContact C-O 3.53Å; N219-V266 VanDerWaalsContact CA-O 3.25Å; N219-V266 WeakPolarHBondContact CA-O 3.04Å; L220-V266 HydrophobicContact CD1-CB 3.78Å; L220-V266 HydrophobicContact CD1-CG1 3.53Å; L220-V266 HydrophobicContact CG-CB 3.95Å; L220-V266 HydrophobicContact CG-CG1 3.87Å; L220-V266 WeakPolarHBondContact CG-O 3.42Å; L220-V266 PolarHBondContact N-O 3.47Å; M244-V266 HydrophobicContact CG-CG1 4.29Å; M244-V266 HydrophobicContact CG-CG2 4.43Å; M244-V266 HydrophobicContact SD-CG1 4.37Å; M244-V266 HydrophobicContact SD-CG2 3.94Å; L261-V266 HydrophobicContact CD1-CG2 4.29Å; P263-V266 PolarHBondContact O-N 2.83Å; V266-I276 HydrophobicContact CG1-CB 3.85Å; V266-I276 HydrophobicContact CG1-CD1 3.93Å; V266-I276 HydrophobicContact CG1-CG1 4.07Å; V266-I276 HydrophobicContact CG1-CG2 4.11Å
267	L	98.6	Very high	96.8	Very high	28 Å²	28	31.5 Å²	31.5	15%	0.147	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.5	-174.6	-84.4	63.7	0	0	0	111.4	L216 S217 N219 E264 I276 K277 I279	L216-L267 HydrophobicContact CB-CB 4.01Å; L216-L267 HydrophobicContact CB-CD2 3.91Å; L216-L267 HydrophobicContact CD1-CB 3.78Å; L216-L267 HydrophobicContact CD1-CD2 4.33Å; S217-L267 WeakPolarHBondContact O-CD2 3.5Å; N219-L267 HydrophobicContact CB-CD1 3.63Å; N219-L267 HydrophobicContact CB-CG 4.05Å; E264-L267 WeakPolarHBondContact O-CD1 3.31Å; L267-I276 CarbonylContact O-C 3.41Å; L267-I276 WeakPolarHBondContact O-CA 3.49Å; L267-I276 WeakPolarHBondContact O-CB 3.33Å; L267-K277 PolarHBondContact N-O 3.25Å; L267-K277 PolarHBondContact O-N 3.39Å; L267-I279 HydrophobicContact CB-CG2 4.39Å; L267-I279 HydrophobicContact CD1-CD1 3.36Å; L267-I279 HydrophobicContact CD1-CG1 3.69Å; L267-I279 HydrophobicContact CD1-CG2 3.98Å; L267-I279 HydrophobicContact CD2-CD1 4.19Å; L267-I279 HydrophobicContact CD2-CG2 4.29Å; L267-I279 HydrophobicContact CG-CD1 4.43Å; L267-I279 HydrophobicContact CG-CG2 4.45Å
268	L	98.4	Very high	96.8	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	134.6	166.9	-65.5	-177.7	0	0	0	109.4	S217 I218 L220 L223 F240 Q270 R273 G275 I276 L475	S217-L268 WeakPolarHBondContact CA-O 3.1Å; S217-L268 VanDerWaalsContact CB-O 3.28Å; S217-L268 WeakPolarHBondContact CB-O 3.35Å; S217-L268 PolarHBondContact N-O 3.36Å; I218-L268 HydrophobicContact CD1-CD1 4.49Å; I218-L268 HydrophobicContact CG1-CD1 4.01Å; I218-L268 PolarHBondContact O-N 2.77Å; L220-L268 HydrophobicContact CD2-CD2 4.1Å; L223-L268 HydrophobicContact CD1-CD1 4.19Å; L223-L268 HydrophobicContact CD2-CD1 4.17Å; L223-L268 HydrophobicContact CD2-CD2 4.33Å; F240-L268 HydrophobicContact CE1-CD2 3.87Å; F240-L268 HydrophobicContact CZ-CD2 4.15Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.45Å; L268-R273 WeakPolarHBondContact CD2-O 3.23Å; L268-G275 CarbonylContact C-O 3.26Å; L268-G275 WeakPolarHBondContact CA-O 3.38Å; L268-I276 HydrophobicContact CD2-CG2 3.84Å; L268-L475 HydrophobicContact CD1-CD1 3.91Å
269	K	96.3	Very high	96.8	Very high	72 Å²	72	33.3 Å²	33.3	31%	0.313	17%	0.169	S	C	.	.	S	Bend	trans	-60.5	-42.9	173.3	-67.4	-175.9	-170.3	-177.4	0	110.8	N195 G275 I276 K277	N195-K269 WeakPolarHBondContact OD1-CE 3.41Å; N195-K269 PolarHBondContact OD1-NZ 2.95Å; K269-G275 PolarHBondContact N-O 3.37Å; K269-I276 WeakPolarHBondContact CE-O 3.4Å; K269-K277 HydrophobicContact CD-CG 4.34Å; K269-K277 HydrophobicContact CG-CG 4.02Å
270	Q	94.8	Very high	96.7	Very high	130 Å²	130	34.6 Å²	34.6	61%	0.607	18%	0.177	S	C	*	.	S	Bend	trans	-146.2	150.9	-176.3	-66.3	178	-32.1	0	0	110.4	L268 R273	L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.45Å; Q270-R273 HydrophobicContact CB-CB 4.42Å; Q270-R273 HydrophobicContact CB-CG 4.2Å; Q270-R273 PolarHBondContact O-N 3.11Å
271	Q	90.8	Very high	96.6	Very high	122 Å²	122	34.2 Å²	34.2	57%	0.57	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	140.4	175	-174	171.1	-1.6	0	0	110.5	R273	Q271-R273 PolarHBondContact O-N 3.17Å
272	G	89.6	Confident	96.3	Very high	25 Å²	25	34.4 Å²	34.4	26%	0.258	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-1.4	178.4	0	0	0	0	0	115.1	T474 L475	G272-T474 WeakPolarHBondContact O-CA 3.5Å; G272-L475 PolarHBondContact O-N 3.21Å
273	R	94	Very high	96.1	Very high	99 Å²	99	34.5 Å²	34.5	37%	0.374	18%	0.181	S	C	.	.			trans	-117.9	153.1	-180	-55.6	-63.9	-178	147.6	-10.4	110.7	L268 Q270 Q271 T472 L475	L268-R273 WeakPolarHBondContact CD2-O 3.23Å; Q270-R273 HydrophobicContact CB-CB 4.42Å; Q270-R273 HydrophobicContact CB-CG 4.2Å; Q270-R273 PolarHBondContact O-N 3.11Å; Q271-R273 PolarHBondContact O-N 3.17Å; R273-T472 VanDerWaalsContact NH1-CG2 3.26Å; R273-T472 PolarHBondContact NH1-OG1 2.74Å; R273-L475 WeakPolarHBondContact O-CD1 3.46Å
274	S	94	Very high	95.9	Very high	31 Å²	31	34.9 Å²	34.9	22%	0.217	18%	0.184	C	C	.	.			trans	-92	-1.9	-179	50.6	0	0	0	0	114.7	F240 I276	F240-S274 WeakPolarHBondContact CE1-O 3.42Å; S274-I276 PolarHBondContact O-N 2.96Å
275	G	97.1	Very high	95.8	Very high	27 Å²	27	32.4 Å²	32.4	28%	0.278	17%	0.174	S	C	.	.			trans	-65.5	132.6	174.9	0	0	0	0	0	110.7	L268 K269	L268-G275 CarbonylContact C-O 3.26Å; L268-G275 WeakPolarHBondContact CA-O 3.38Å; K269-G275 PolarHBondContact N-O 3.37Å
276	I	98.4	Very high	95.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	164.1	-178.7	58.5	86.6	0	0	0	112.3	N195 L220 F240 S243 M244 V266 L267 L268 K269 S274	N195-I276 HydrophobicContact CB-CD1 4.11Å; N195-I276 WeakPolarHBondContact CB-O 3.45Å; N195-I276 PolarHBondContact OD1-O 3.04Å; L220-I276 HydrophobicContact CD2-CG2 4.28Å; F240-I276 HydrophobicContact CD1-CG2 3.69Å; F240-I276 HydrophobicContact CE1-CG2 3.7Å; S243-I276 VanDerWaalsContact CB-CG1 3.42Å; M244-I276 HydrophobicContact CG-CD1 4.05Å; V266-I276 HydrophobicContact CG1-CB 3.85Å; V266-I276 HydrophobicContact CG1-CD1 3.93Å; V266-I276 HydrophobicContact CG1-CG1 4.07Å; V266-I276 HydrophobicContact CG1-CG2 4.11Å; L267-I276 CarbonylContact O-C 3.41Å; L267-I276 WeakPolarHBondContact O-CA 3.49Å; L267-I276 WeakPolarHBondContact O-CB 3.33Å; L268-I276 HydrophobicContact CD2-CG2 3.84Å; K269-I276 WeakPolarHBondContact CE-O 3.4Å; S274-I276 PolarHBondContact O-N 2.96Å
277	K	98.6	Very high	95.3	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.9	158.7	-67.2	-172.5	161	-152.2	0	110.5	N195 I196 H198 E214 L216 L267 K269	N195-K277 CarbonylContact O-C 3.47Å; N195-K277 WeakPolarHBondContact O-CA 3.44Å; I196-K277 VanDerWaalsContact O-CD 3.32Å; I196-K277 WeakPolarHBondContact O-CD 3.42Å; I196-K277 WeakPolarHBondContact O-CE 3.33Å; I196-K277 PolarHBondContact O-NZ 2.9Å; H198-K277 PolarHBondContact CE1-NZ 2.91Å; H198-K277 PolarHBondContact ND1-NZ 3.2Å; H198-K277 VanDerWaalsContact ND1-NZ 3.13Å; H198-K277 PolarHBondContact NE2-NZ 2.91Å; E214-K277 WeakPolarHBondContact OE1-CD 3.33Å; E214-K277 WeakPolarHBondContact OE1-CE 3.46Å; E214-K277 IonicContact OE1-NZ 3.81Å; E214-K277 PolarHBondContact OE1-NZ 2.85Å; E214-K277 IonicContact OE2-NZ 2.84Å; E214-K277 PolarHBondContact OE2-NZ 3.37Å; L216-K277 HydrophobicContact CD1-CB 3.8Å; L216-K277 HydrophobicContact CD1-CD 4.32Å; L216-K277 HydrophobicContact CD1-CG 4.41Å; L216-K277 HydrophobicContact CD2-CD 4.27Å; L267-K277 PolarHBondContact N-O 3.25Å; L267-K277 PolarHBondContact O-N 3.39Å; K269-K277 HydrophobicContact CD-CG 4.34Å; K269-K277 HydrophobicContact CG-CG 4.02Å
278	V	98.6	Very high	94.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136.5	169.5	-178	0	0	0	0	108.6	N195 I197 C247 L261 F281	N195-V278 PolarHBondContact O-N 3.11Å; I197-V278 PolarHBondContact N-O 3.44Å; C247-V278 HydrophobicContact CB-CB 4.46Å; C247-V278 HydrophobicContact CB-CG2 3.85Å; L261-V278 HydrophobicContact CD1-CG1 3.83Å; L261-V278 HydrophobicContact CD1-CG2 4.37Å; V278-F281 HydrophobicContact CG1-CE2 4.41Å; V278-F281 HydrophobicContact CG1-CZ 4.43Å
279	I	98	Very high	94.5	Very high	36 Å²	36	42 Å²	42	19%	0.185	22%	0.221	C	C	.	.			trans	-124.2	174.9	-177.5	72.1	156.9	0	0	0	111.2	I197 L216 H258 N265 L267	I197-I279 HydrophobicContact CB-CB 4.49Å; I197-I279 HydrophobicContact CB-CG2 4.04Å; I197-I279 HydrophobicContact CD1-CG2 4.21Å; I197-I279 HydrophobicContact CG1-CG2 4.3Å; I197-I279 HydrophobicContact CG2-CB 4.45Å; L216-I279 HydrophobicContact CD1-CG2 4.14Å; H258-I279 PolarHBondContact NE2-O 3.19Å; N265-I279 HydrophobicContact CB-CG1 4.15Å; N265-I279 WeakPolarHBondContact O-CG1 3.3Å; N265-I279 PolarHBondContact O-N 3.32Å; L267-I279 HydrophobicContact CB-CG2 4.39Å; L267-I279 HydrophobicContact CD1-CD1 3.36Å; L267-I279 HydrophobicContact CD1-CG1 3.69Å; L267-I279 HydrophobicContact CD1-CG2 3.98Å; L267-I279 HydrophobicContact CD2-CD1 4.19Å; L267-I279 HydrophobicContact CD2-CG2 4.29Å; L267-I279 HydrophobicContact CG-CD1 4.43Å; L267-I279 HydrophobicContact CG-CG2 4.45Å
280	D	95	Very high	94.1	Very high	29 Å²	29	42 Å²	42	16%	0.155	22%	0.219	C	C	.	.			trans	64.3	73.7	169.4	-164.4	23.5	0	0	0	114.6	K163 H258 G282	K163-D280 IonicContact NZ-OD1 3.34Å; K163-D280 PolarHBondContact NZ-OD1 2.87Å; K163-D280 VanDerWaalsContact NZ-OD1 3.15Å; H258-D280 PolarHBondContact CE1-O 2.79Å; H258-D280 PolarHBondContact NE2-O 2.96Å; D280-G282 PolarHBondContact O-N 3.13Å
281	F	96.4	Very high	93.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-88.8	13	177.5	-74.1	-103.8	0	0	0	112.5	E178 I181 L182 L185 I196 I197 L251 H258 V278 S283 S284	E178-F281 HydrophobicContact CG-CB 4.04Å; E178-F281 PolarHBondContact OE1-N 3.32Å; I181-F281 HydrophobicContact CG2-CD1 3.91Å; L182-F281 HydrophobicContact CD2-CB 4.37Å; L182-F281 HydrophobicContact CD2-CD2 3.74Å; L182-F281 HydrophobicContact CD2-CE2 4.23Å; L182-F281 HydrophobicContact CD2-CG 4.05Å; L182-F281 HydrophobicContact CG-CB 4.4Å; L185-F281 HydrophobicContact CD1-CD1 4.22Å; L185-F281 HydrophobicContact CD1-CE1 3.79Å; L185-F281 HydrophobicContact CD1-CZ 4.29Å; I196-F281 HydrophobicContact CG1-CZ 4.34Å; I196-F281 HydrophobicContact CG2-CE2 3.93Å; I196-F281 HydrophobicContact CG2-CZ 3.97Å; I197-F281 HydrophobicContact CG2-CD2 4.4Å; I197-F281 HydrophobicContact CG2-CE2 4.38Å; L251-F281 HydrophobicContact CD1-CE1 4.1Å; L251-F281 HydrophobicContact CD2-CE1 3.78Å; L251-F281 HydrophobicContact CD2-CZ 4.39Å; H258-F281 AromaticContact CD2-CE1 3.89Å; H258-F281 AromaticContact CD2-CZ 3.92Å; V278-F281 HydrophobicContact CG1-CE2 4.41Å; V278-F281 HydrophobicContact CG1-CZ 4.43Å; F281-S283 PolarHBondContact O-N 2.87Å; F281-S284 WeakPolarHBondContact CA-OG 3.19Å; F281-S284 VanDerWaalsContact CD1-OG 3.3Å; F281-S284 WeakPolarHBondContact CD1-OG 3.24Å; F281-S284 VanDerWaalsContact O-CB 3.23Å; F281-S284 WeakPolarHBondContact O-CB 3.48Å; F281-S284 PolarHBondContact O-N 3.13Å; F281-S284 PolarHBondContact O-OG 2.91Å
282	G	92.5	Very high	93.4	Very high	5 Å²	5	39.8 Å²	39.8	5%	0.052	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-67.3	-16.5	-178.5	0	0	0	0	0	115.1	D280	D280-G282 PolarHBondContact O-N 3.13Å
283	S	93.1	Very high	93.4	Very high	32 Å²	32	44.5 Å²	44.5	22%	0.224	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-101.7	-4.9	172.3	-60.8	0	0	0	0	113.3	C259 F281	C259-S283 VanDerWaalsContact CB-O 3.32Å; C259-S283 WeakPolarHBondContact CB-O 3.33Å; F281-S283 PolarHBondContact O-N 2.87Å
284	S	95.9	Very high	93.4	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.063	24%	0.24	C	C	.	.			trans	-69.9	152.3	-173.3	-60.1	0	0	0	0	111.8	I257 H258 F281	I257-S284 WeakPolarHBondContact O-CA 3.48Å; I257-S284 WeakPolarHBondContact O-CB 3.32Å; H258-S284 WeakPolarHBondContact CA-OG 3.3Å; H258-S284 PolarHBondContact O-OG 3Å; F281-S284 WeakPolarHBondContact CA-OG 3.19Å; F281-S284 VanDerWaalsContact CD1-OG 3.3Å; F281-S284 WeakPolarHBondContact CD1-OG 3.24Å; F281-S284 VanDerWaalsContact O-CB 3.23Å; F281-S284 WeakPolarHBondContact O-CB 3.48Å; F281-S284 PolarHBondContact O-N 3.13Å; F281-S284 PolarHBondContact O-OG 2.91Å
285	C	94.8	Very high	93.4	Very high	14 Å²	14	45.4 Å²	45.4	10%	0.095	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	157.7	173.4	64.7	0	0	0	0	111	I257	I257-C285 PolarHBondContact N-O 2.78Å; I257-C285 PolarHBondContact O-N 3.48Å; I257-C285 VanDerWaalsContact O-N 3.08Å
286	F	94.8	Very high	93.5	Very high	31 Å²	31	44.7 Å²	44.7	14%	0.136	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	146.4	164.5	-66.1	-88	0	0	0	110	R180 I181 R255 L256 D288 Q289	R180-F286 VanDerWaalsContact NH2-CD2 3.27Å; I181-F286 HydrophobicContact CG1-CE2 4.03Å; I181-F286 HydrophobicContact CG1-CZ 4.48Å; R255-F286 CarbonylContact O-C 3.4Å; R255-F286 WeakPolarHBondContact O-CA 3.02Å; L256-F286 HydrophobicContact CD1-CE1 4.27Å; L256-F286 HydrophobicContact CD2-CD1 3.57Å; L256-F286 HydrophobicContact CD2-CD2 3.98Å; L256-F286 HydrophobicContact CD2-CE1 3.55Å; L256-F286 HydrophobicContact CD2-CE2 3.94Å; L256-F286 HydrophobicContact CD2-CG 3.8Å; L256-F286 HydrophobicContact CD2-CZ 3.75Å; L256-F286 HydrophobicContact CG-CD1 3.93Å; L256-F286 HydrophobicContact CG-CE1 3.79Å; L256-F286 HydrophobicContact CG-CZ 4.35Å; F286-D288 VanDerWaalsContact CB-OD1 3.22Å; F286-D288 WeakPolarHBondContact CB-OD1 3.33Å; F286-D288 PolarHBondContact O-N 2.92Å; F286-D288 VanDerWaalsContact O-N 3.14Å; F286-Q289 HydrophobicContact CB-CB 4.29Å; F286-Q289 CarbonylContact O-C 3.42Å; F286-Q289 PolarHBondContact O-N 3.37Å
287	D	91	Very high	93.4	Very high	22 Å²	22	46.3 Å²	46.3	12%	0.118	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.5	-178.3	175.1	48.4	0	0	0	112.5	R255 I257 R290	R255-D287 HydrophobicContact CB-CB 4.24Å; R255-D287 IonicContact CZ-OD2 3.15Å; R255-D287 IonicContact NE-OD2 3.03Å; R255-D287 IonicContact NH2-OD2 2.7Å; R255-D287 PolarHBondContact NH2-OD2 3.2Å; R255-D287 WeakPolarHBondContact O-CB 3.36Å; R255-D287 PolarHBondContact O-N 3.48Å; I257-D287 HydrophobicContact CD1-CB 4.38Å; D287-R290 PolarHBondContact O-NE 2.9Å; D287-R290 PolarHBondContact O-NH1 2.84Å; D287-R290 PolarHBondContact O-NH2 2.63Å; D287-R290 IonicContact OD1-CZ 2.74Å; D287-R290 IonicContact OD1-NH1 2.73Å; D287-R290 PolarHBondContact OD1-NH1 3.3Å
288	D	90.9	Very high	93.4	Very high	105 Å²	105	49.9 Å²	49.9	56%	0.561	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-10	175.6	62.8	-18.8	0	0	0	114.2	F286	F286-D288 VanDerWaalsContact CB-OD1 3.22Å; F286-D288 WeakPolarHBondContact CB-OD1 3.33Å; F286-D288 PolarHBondContact O-N 2.92Å; F286-D288 VanDerWaalsContact O-N 3.14Å
289	Q	90.6	Very high	93.4	Very high	84 Å²	84	53 Å²	53	39%	0.393	26%	0.261	S	S	.	.			trans	-118.6	40	-172.8	-66.8	166.9	35.4	0	0	112.4	F286 I291	F286-Q289 HydrophobicContact CB-CB 4.29Å; F286-Q289 CarbonylContact O-C 3.42Å; F286-Q289 PolarHBondContact O-N 3.37Å; Q289-I291 PolarHBondContact O-N 3.05Å
290	R	87.9	Confident	93.5	Very high	71 Å²	71	51.7 Å²	51.7	27%	0.268	25%	0.254	S	S	.	.			trans	-70	119.9	177.4	-67.8	174.9	-69.1	-98.4	-29.9	111.6	I257 D287 Y311	I257-R290 HydrophobicContact CD1-CG 4.47Å; D287-R290 PolarHBondContact O-NE 2.9Å; D287-R290 PolarHBondContact O-NH1 2.84Å; D287-R290 PolarHBondContact O-NH2 2.63Å; D287-R290 IonicContact OD1-CZ 2.74Å; D287-R290 IonicContact OD1-NH1 2.73Å; D287-R290 PolarHBondContact OD1-NH1 3.3Å; R290-Y311 HydrophobicContact CB-CE1 4.43Å; R290-Y311 HydrophobicContact CB-CE2 4.48Å; R290-Y311 WeakPolarHBondContact CB-OH 3.28Å; R290-Y311 VanDerWaalsContact CD-O 3.25Å; R290-Y311 WeakPolarHBondContact CD-O 3.48Å; R290-Y311 HydrophobicContact CG-CE1 4.4Å; R290-Y311 HydrophobicContact CG-CE2 3.74Å; R290-Y311 PolarHBondContact NH1-O 3.19Å
291	I	82.9	Confident	93.7	Very high	134 Å²	134	50.7 Å²	50.7	69%	0.687	25%	0.248	S	C	*	.			trans	-104.1	-40.3	-178.9	-59.5	174.2	0	0	0	112.3	Q289	Q289-I291 PolarHBondContact O-N 3.05Å
292	Y	87.5	Confident	93.8	Very high	73 Å²	73	50.6 Å²	50.6	29%	0.286	25%	0.248	S	C	.	.			trans	-107	139.4	-167.6	-58	-70.8	0	0	0	112	Q174 Y311	Q174-Y292 PolarHBondContact NE2-OH 3.38Å; Y292-Y311 WeakPolarHBondContact O-CE1 3.34Å; Y292-Y311 PolarHBondContact O-OH 3.41Å
293	T	89.8	Confident	94.1	Very high	123 Å²	123	50.4 Å²	50.4	76%	0.755	25%	0.246	S	C	*	.	S	Bend	trans	-94.2	-24.8	176.5	52.6	0	0	0	0	113
294	Y	93	Very high	94.3	Very high	134 Å²	134	49.1 Å²	49.1	53%	0.525	24%	0.236	S	C	.	.	S	Bend	trans	-105	94.5	175.9	-171.6	-94.5	0	0	0	109.5	R301	Y294-R301 VanDerWaalsContact CE2-NH1 3.25Å; Y294-R301 PolarHBondContact OH-NH1 2.78Å; Y294-R301 PolarHBondContact OH-NH2 2.93Å
295	I	95.6	Very high	94.4	Very high	16 Å²	16	49 Å²	49	8%	0.082	24%	0.235	C	C	.	.			trans	-130.5	175.3	-176.1	59.2	166.6	0	0	0	111.1	C259 R301 V305 Y311 I315	C259-I295 HydrophobicContact CB-CB 4.48Å; C259-I295 HydrophobicContact CB-CD1 4.2Å; I295-R301 PolarHBondContact O-NE 3.34Å; I295-R301 PolarHBondContact O-NH2 3.14Å; I295-V305 HydrophobicContact CD1-CG2 4.25Å; I295-V305 HydrophobicContact CG1-CG1 3.76Å; I295-V305 HydrophobicContact CG1-CG2 4.08Å; I295-Y311 HydrophobicContact CD1-CD1 4.28Å; I295-Y311 HydrophobicContact CD1-CD2 3.73Å; I295-Y311 HydrophobicContact CD1-CE1 3.96Å; I295-Y311 HydrophobicContact CD1-CE2 3.36Å; I295-Y311 HydrophobicContact CD1-CG 4.18Å; I295-Y311 VanDerWaalsContact CD1-CZ 3.48Å; I295-I315 HydrophobicContact CD1-CD1 3.49Å; I295-I315 VanDerWaalsContact CD1-CD1 3.49Å
296	Q	98	Very high	94.6	Very high	11 Å²	11	48.4 Å²	48.4	5%	0.051	23%	0.231	C	C	.	.	S	Bend	trans	62.6	147.5	-173.6	-58	176	-73.3	0	0	114.2	C259 Y300 R301 I315 S319	C259-Q296 WeakPolarHBondContact O-CA 3.39Å; C259-Q296 WeakPolarHBondContact O-CG 3.46Å; C259-Q296 PolarHBondContact O-N 3.29Å; Q296-Y300 PolarHBondContact NE2-O 2.79Å; Q296-Y300 VanDerWaalsContact NE2-O 3.15Å; Q296-R301 HydrophobicContact CB-CB 4Å; Q296-R301 HydrophobicContact CB-CG 4.16Å; Q296-R301 PolarHBondContact O-NE 2.76Å; Q296-R301 PolarHBondContact O-NH2 3.49Å; Q296-I315 HydrophobicContact CG-CD1 4.11Å; Q296-I315 PolarHBondContact NE2-O 3.45Å; Q296-S319 PolarHBondContact NE2-OG 3.18Å
297	S	97.6	Very high	94.7	Very high	35 Å²	35	47.1 Å²	47.1	25%	0.245	23%	0.225	C	C	.	.			trans	-69.9	135.4	166.9	-67.2	0	0	0	0	110	D260 K262 F299 Y300 R301	D260-S297 WeakPolarHBondContact OD1-CB 3.32Å; D260-S297 PolarHBondContact OD1-N 3.05Å; D260-S297 PolarHBondContact OD1-OG 3.42Å; K262-S297 VanDerWaalsContact CD-OG 3.3Å; K262-S297 WeakPolarHBondContact CD-OG 3.41Å; K262-S297 PolarHBondContact NZ-OG 3.27Å; K262-S297 VanDerWaalsContact NZ-OG 3.14Å; S297-F299 PolarHBondContact O-N 2.79Å; S297-F299 VanDerWaalsContact O-N 3.13Å; S297-Y300 CarbonylContact O-C 3.55Å; S297-Y300 PolarHBondContact O-N 3Å; S297-R301 PolarHBondContact O-N 3.36Å
298	R	98.4	Very high	95	Very high	81 Å²	81	47 Å²	47	31%	0.306	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-50.1	-46.1	-161.6	-173.8	-172.2	-63.2	108.4	0.3	115.2	Y300 R301 G336 Q342	R298-Y300 PolarHBondContact O-N 3.29Å; R298-R301 WeakPolarHBondContact O-CB 3.27Å; R298-R301 PolarHBondContact O-N 3.42Å; R298-G336 WeakPolarHBondContact CD-O 3.36Å; R298-Q342 HydrophobicContact CG-CB 4.15Å; R298-Q342 HydrophobicContact CG-CG 4.14Å; R298-Q342 PolarHBondContact O-NE2 3.08Å; R298-Q342 PolarHBondContact O-OE1 3.46Å
299	F	98.8	Very high	95.1	Very high	67 Å²	67	43.2 Å²	43.2	29%	0.294	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-65.3	-21	-176.3	-57.7	-20.3	0	0	0	113.4	S297 P332 P335 G336	S297-F299 PolarHBondContact O-N 2.79Å; S297-F299 VanDerWaalsContact O-N 3.13Å; F299-P332 HydrophobicContact CB-CB 4.47Å; F299-P332 HydrophobicContact CD2-CB 3.94Å; F299-P332 HydrophobicContact CD2-CG 3.92Å; F299-P332 HydrophobicContact CE2-CB 4.49Å; F299-P332 HydrophobicContact CE2-CG 4.13Å; F299-P332 HydrophobicContact CG-CB 4.35Å; F299-P335 HydrophobicContact CE1-CB 4.34Å; F299-P335 HydrophobicContact CZ-CB 4.44Å; F299-G336 VanDerWaalsContact CE1-O 3.3Å; F299-G336 WeakPolarHBondContact CE1-O 3.35Å
300	Y	98.9	Very high	95.3	Very high	8 Å²	8	46.8 Å²	46.8	3%	0.031	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-111.5	10.2	-177.4	-43.8	-78.6	0	0	0	111.8	K262 P263 Q296 S297 R298 S319 C322 I323 E326	K262-Y300 HydrophobicContact CB-CD2 3.52Å; K262-Y300 HydrophobicContact CB-CE2 3.57Å; K262-Y300 HydrophobicContact CB-CG 4.15Å; P263-Y300 WeakPolarHBondContact CD-OH 3.48Å; P263-Y300 HydrophobicContact CG-CE1 4.05Å; P263-Y300 WeakPolarHBondContact CG-OH 3.32Å; Q296-Y300 PolarHBondContact NE2-O 2.79Å; Q296-Y300 VanDerWaalsContact NE2-O 3.15Å; S297-Y300 CarbonylContact O-C 3.55Å; S297-Y300 PolarHBondContact O-N 3Å; R298-Y300 PolarHBondContact O-N 3.29Å; Y300-S319 PolarHBondContact O-OG 2.9Å; Y300-C322 HydrophobicContact CD1-CB 3.72Å; Y300-C322 HydrophobicContact CE1-CB 4.43Å; Y300-I323 HydrophobicContact CD1-CG1 3.81Å; Y300-I323 HydrophobicContact CE1-CG1 3.95Å; Y300-E326 VanDerWaalsContact CE1-OE2 3.27Å; Y300-E326 WeakPolarHBondContact CE1-OE2 3.21Å; Y300-E326 VanDerWaalsContact CZ-OE2 3.3Å; Y300-E326 PolarHBondContact OH-OE2 2.96Å
301	R	98.8	Very high	95.7	Very high	8 Å²	8	44.4 Å²	44.4	3%	0.03	22%	0.215	C	C	.	.			trans	-82.3	131.2	-175.3	-176.4	177.9	-65.4	148.2	-2.6	111.1	Y294 I295 Q296 S297 R298 V305 I306 W318	Y294-R301 VanDerWaalsContact CE2-NH1 3.25Å; Y294-R301 PolarHBondContact OH-NH1 2.78Å; Y294-R301 PolarHBondContact OH-NH2 2.93Å; I295-R301 PolarHBondContact O-NE 3.34Å; I295-R301 PolarHBondContact O-NH2 3.14Å; Q296-R301 HydrophobicContact CB-CB 4Å; Q296-R301 HydrophobicContact CB-CG 4.16Å; Q296-R301 PolarHBondContact O-NE 2.76Å; Q296-R301 PolarHBondContact O-NH2 3.49Å; S297-R301 PolarHBondContact O-N 3.36Å; R298-R301 WeakPolarHBondContact O-CB 3.27Å; R298-R301 PolarHBondContact O-N 3.42Å; R301-V305 HydrophobicContact CG-CB 3.93Å; R301-V305 HydrophobicContact CG-CG1 3.95Å; R301-I306 HydrophobicContact CG-CD1 4.49Å; R301-I306 HydrophobicContact CG-CG1 4.03Å; R301-W318 PolarHBondContact O-NE1 3.21Å
302	A	98.8	Very high	96.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.			trans	-73.3	150.6	-179.5	0	0	0	0	0	112.4	E304 V305 I306 I315 W318	A302-E304 VanDerWaalsContact C-N 3.32Å; A302-E304 HydrophobicContact CB-CG 4.14Å; A302-E304 WeakPolarHBondContact CB-OE2 3.35Å; A302-E304 PolarHBondContact O-N 3.17Å; A302-V305 HydrophobicContact CB-CG2 4.48Å; A302-V305 WeakPolarHBondContact O-CB 3.32Å; A302-V305 PolarHBondContact O-N 2.82Å; A302-I306 PolarHBondContact O-N 3.27Å; A302-I315 HydrophobicContact CB-CB 3.85Å; A302-I315 HydrophobicContact CB-CG2 3.77Å; A302-W318 HydrophobicContact CB-CB 3.85Å; A302-W318 HydrophobicContact CB-CD2 4.28Å; A302-W318 HydrophobicContact CB-CG 3.76Å
303	P	98.4	Very high	96.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-35.1	-176.6	23.3	-32.8	0	0	0	113	V305 I306 L307 W318 L343 I346 W430	P303-V305 PolarHBondContact O-N 3.01Å; P303-I306 PolarHBondContact O-N 3.22Å; P303-I306 VanDerWaalsContact O-N 3.11Å; P303-L307 HydrophobicContact CB-CD1 4.5Å; P303-L307 VanDerWaalsContact O-CB 3.31Å; P303-L307 WeakPolarHBondContact O-CB 3.22Å; P303-L307 WeakPolarHBondContact O-CG 3.48Å; P303-L307 PolarHBondContact O-N 3Å; P303-W318 VanDerWaalsContact CD-CE3 3.45Å; P303-W318 VanDerWaalsContact CD-CZ3 3.49Å; P303-W318 HydrophobicContact CG-CE3 4.11Å; P303-W318 HydrophobicContact CG-CH2 3.97Å; P303-W318 HydrophobicContact CG-CZ3 3.74Å; P303-L343 HydrophobicContact CB-CD1 4.48Å; P303-I346 HydrophobicContact CB-CD1 4.43Å; P303-W430 HydrophobicContact CB-CE3 3.63Å; P303-W430 HydrophobicContact CB-CH2 4.48Å; P303-W430 HydrophobicContact CB-CZ3 3.42Å; P303-W430 VanDerWaalsContact CB-CZ3 3.42Å; P303-W430 HydrophobicContact CG-CE3 3.83Å; P303-W430 HydrophobicContact CG-CZ3 4.12Å
304	E	98.1	Very high	97.3	Very high	4 Å²	4	33 Å²	33	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-36	175.6	53.8	-94.4	-141.1	0	0	113.1	A302 G308 T309 I315 R435	A302-E304 VanDerWaalsContact C-N 3.32Å; A302-E304 HydrophobicContact CB-CG 4.14Å; A302-E304 WeakPolarHBondContact CB-OE2 3.35Å; A302-E304 PolarHBondContact O-N 3.17Å; E304-G308 PolarHBondContact O-N 3.02Å; E304-T309 WeakPolarHBondContact CA-OG1 3.45Å; E304-T309 WeakPolarHBondContact CB-OG1 3.31Å; E304-T309 PolarHBondContact O-N 3.45Å; E304-T309 PolarHBondContact O-OG1 3.36Å; E304-I315 HydrophobicContact CG-CG2 3.88Å; E304-I315 WeakPolarHBondContact OE1-CG2 3.44Å; E304-R435 IonicContact OE1-CZ 2.67Å; E304-R435 IonicContact OE1-NH1 3.35Å; E304-R435 PolarHBondContact OE1-NH1 3.31Å; E304-R435 IonicContact OE1-NH2 3.53Å; E304-R435 PolarHBondContact OE1-NH2 2.94Å; E304-R435 IonicContact OE2-CZ 2.7Å; E304-R435 IonicContact OE2-NH1 2.96Å; E304-R435 PolarHBondContact OE2-NH1 2.69Å; E304-R435 IonicContact OE2-NH2 2.78Å; E304-R435 PolarHBondContact OE2-NH2 2.86Å
305	V	98.2	Very high	97.6	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.042	13%	0.134	C	C	.	.	H	α-helix	trans	-69.6	-41.7	177.4	179.5	0	0	0	0	110.1	I295 R301 A302 P303 G308 Y311 I315	I295-V305 HydrophobicContact CD1-CG2 4.25Å; I295-V305 HydrophobicContact CG1-CG1 3.76Å; I295-V305 HydrophobicContact CG1-CG2 4.08Å; R301-V305 HydrophobicContact CG-CB 3.93Å; R301-V305 HydrophobicContact CG-CG1 3.95Å; A302-V305 HydrophobicContact CB-CG2 4.48Å; A302-V305 WeakPolarHBondContact O-CB 3.32Å; A302-V305 PolarHBondContact O-N 2.82Å; P303-V305 PolarHBondContact O-N 3.01Å; V305-G308 PolarHBondContact O-N 2.83Å; V305-Y311 HydrophobicContact CG2-CG 4.34Å; V305-I315 HydrophobicContact CG2-CG2 3.97Å
306	I	98.4	Very high	97.7	Very high	2 Å²	2	26 Å²	26	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-47.9	178.6	-59.8	172	0	0	0	110.6	R301 A302 P303 G308 E339 Q342 L343 I346 R363 F367	R301-I306 HydrophobicContact CG-CD1 4.49Å; R301-I306 HydrophobicContact CG-CG1 4.03Å; A302-I306 PolarHBondContact O-N 3.27Å; P303-I306 PolarHBondContact O-N 3.22Å; P303-I306 VanDerWaalsContact O-N 3.11Å; I306-G308 PolarHBondContact O-N 3.44Å; I306-E339 HydrophobicContact CG2-CB 4.4Å; I306-Q342 HydrophobicContact CD1-CB 4.13Å; I306-Q342 HydrophobicContact CD1-CG 3.69Å; I306-L343 HydrophobicContact CG2-CB 4.28Å; I306-I346 HydrophobicContact CD1-CD1 4.14Å; I306-R363 PolarHBondContact O-NH1 3.44Å; I306-F367 HydrophobicContact CG2-CE1 4.04Å; I306-F367 HydrophobicContact CG2-CE2 3.87Å; I306-F367 HydrophobicContact CG2-CZ 3.52Å; I306-F367 WeakPolarHBondContact O-CE2 3.3Å
307	L	97.7	Very high	97.8	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-72.5	-13.5	-178.8	-69.2	173.2	0	0	0	113.3	P303 T309 L343 L358 A361 K362 R363 F367 W430	P303-L307 HydrophobicContact CB-CD1 4.5Å; P303-L307 VanDerWaalsContact O-CB 3.31Å; P303-L307 WeakPolarHBondContact O-CB 3.22Å; P303-L307 WeakPolarHBondContact O-CG 3.48Å; P303-L307 PolarHBondContact O-N 3Å; L307-T309 HydrophobicContact CB-CG2 4.49Å; L307-L343 HydrophobicContact CD2-CD2 3.91Å; L307-L358 HydrophobicContact CD1-CD2 4.44Å; L307-L358 HydrophobicContact CD2-CD2 4.37Å; L307-A361 HydrophobicContact CB-CB 3.96Å; L307-A361 CarbonylContact O-C 3.57Å; L307-K362 PolarHBondContact O-N 3.47Å; L307-R363 WeakPolarHBondContact O-CA 3.33Å; L307-R363 WeakPolarHBondContact O-CB 3Å; L307-R363 PolarHBondContact O-N 3.22Å; L307-F367 HydrophobicContact CD2-CD2 3.98Å; L307-W430 HydrophobicContact CD1-CZ3 4.33Å
308	G	96.1	Very high	97.8	Very high	19 Å²	19	24 Å²	24	20%	0.196	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	33.1	178.4	0	0	0	0	0	113.4	E304 V305 I306 K362	E304-G308 PolarHBondContact O-N 3.02Å; V305-G308 PolarHBondContact O-N 2.83Å; I306-G308 PolarHBondContact O-N 3.44Å; G308-K362 WeakPolarHBondContact O-CG 3.43Å
309	T	94.2	Very high	97.9	Very high	26 Å²	26	20.1 Å²	20.1	16%	0.16	10%	0.104	C	C	.	.			trans	-83.2	174.4	167.4	60.5	0	0	0	0	110	E304 L307 Y311 A361	E304-T309 WeakPolarHBondContact CA-OG1 3.45Å; E304-T309 WeakPolarHBondContact CB-OG1 3.31Å; E304-T309 PolarHBondContact O-N 3.45Å; E304-T309 PolarHBondContact O-OG1 3.36Å; L307-T309 HydrophobicContact CB-CG2 4.49Å; T309-Y311 PolarHBondContact O-N 2.67Å; T309-A361 VanDerWaalsContact CG2-CA 3.44Å; T309-A361 HydrophobicContact CG2-CB 3.6Å
310	K	93.5	Very high	97.9	Very high	160 Å²	160	17 Å²	17	70%	0.696	9%	0.09	S	C	*	.			trans	-68.1	119	173.8	-176.2	-178.9	177.9	-174.8	0	108.9
311	Y	96.4	Very high	97.9	Very high	20 Å²	20	16.6 Å²	16.6	8%	0.078	9%	0.088	C	C	.	.			trans	-95.4	162.5	175.3	74.4	-96.1	0	0	0	111.8	I257 R290 Y292 I295 V305 T309 I315	I257-Y311 HydrophobicContact CD1-CD2 4.22Å; I257-Y311 HydrophobicContact CD1-CE2 4.05Å; R290-Y311 HydrophobicContact CB-CE1 4.43Å; R290-Y311 HydrophobicContact CB-CE2 4.48Å; R290-Y311 WeakPolarHBondContact CB-OH 3.28Å; R290-Y311 VanDerWaalsContact CD-O 3.25Å; R290-Y311 WeakPolarHBondContact CD-O 3.48Å; R290-Y311 HydrophobicContact CG-CE1 4.4Å; R290-Y311 HydrophobicContact CG-CE2 3.74Å; R290-Y311 PolarHBondContact NH1-O 3.19Å; Y292-Y311 WeakPolarHBondContact O-CE1 3.34Å; Y292-Y311 PolarHBondContact O-OH 3.41Å; I295-Y311 HydrophobicContact CD1-CD1 4.28Å; I295-Y311 HydrophobicContact CD1-CD2 3.73Å; I295-Y311 HydrophobicContact CD1-CE1 3.96Å; I295-Y311 HydrophobicContact CD1-CE2 3.36Å; I295-Y311 HydrophobicContact CD1-CG 4.18Å; I295-Y311 VanDerWaalsContact CD1-CZ 3.48Å; V305-Y311 HydrophobicContact CG2-CG 4.34Å; T309-Y311 PolarHBondContact O-N 2.67Å; Y311-I315 HydrophobicContact CD2-CD1 3.91Å; Y311-I315 HydrophobicContact CD2-CG2 4.49Å; Y311-I315 HydrophobicContact CE2-CD1 4.35Å
312	G	97.6	Very high	97.9	Very high	11 Å²	11	16.3 Å²	16.3	11%	0.113	9%	0.087	C	C	.	.			trans	-155.8	-161.1	178.5	0	0	0	0	0	111.7	P314 I315	G312-P314 VanDerWaalsContact C-N 3.25Å; G312-P314 VanDerWaalsContact O-N 3.15Å; G312-I315 WeakPolarHBondContact O-CG1 3.1Å; G312-I315 WeakPolarHBondContact O-CG2 3.38Å; G312-I315 PolarHBondContact O-N 2.89Å
313	M	98.3	Very high	97.9	Very high	43 Å²	43	16.3 Å²	16.3	21%	0.212	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-32.1	175.9	-59.3	172.2	-71.5	0	0	115.2	Q252 I257 I315 D316	Q252-M313 HydrophobicContact CB-SD 4.24Å; Q252-M313 HydrophobicContact CG-CE 4.31Å; Q252-M313 HydrophobicContact CG-SD 3.88Å; I257-M313 HydrophobicContact CG1-CG 3.92Å; M313-I315 PolarHBondContact O-N 3.03Å; M313-D316 PolarHBondContact O-N 3.08Å; M313-D316 VanDerWaalsContact O-N 3.12Å
314	P	98.7	Very high	97.9	Very high	36 Å²	36	16.2 Å²	16.2	23%	0.234	9%	0.087	C	C	.	.	H	α-helix	trans	-59	-16.6	178.3	-28.6	37.6	0	0	0	115.7	G312 D316 M317 W318 P432 R435	G312-P314 VanDerWaalsContact C-N 3.25Å; G312-P314 VanDerWaalsContact O-N 3.15Å; P314-D316 VanDerWaalsContact C-N 3.25Å; P314-D316 PolarHBondContact O-N 3.38Å; P314-M317 PolarHBondContact O-N 2.76Å; P314-W318 PolarHBondContact O-N 2.87Å; P314-P432 HydrophobicContact CB-CB 3.8Å; P314-P432 HydrophobicContact CG-CB 4.1Å; P314-P432 VanDerWaalsContact CG-O 3.29Å; P314-P432 WeakPolarHBondContact CG-O 3.47Å; P314-R435 WeakPolarHBondContact O-CD 3.46Å; P314-R435 PolarHBondContact O-NH1 2.91Å
315	I	98.8	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.3	-30.7	176.4	73.6	179.1	0	0	0	112.2	I257 I295 Q296 A302 E304 V305 Y311 G312 M313 M317 W318 S319	I257-I315 HydrophobicContact CG2-CD1 3.57Å; I257-I315 HydrophobicContact CG2-CG1 3.66Å; I295-I315 HydrophobicContact CD1-CD1 3.49Å; I295-I315 VanDerWaalsContact CD1-CD1 3.49Å; Q296-I315 HydrophobicContact CG-CD1 4.11Å; Q296-I315 PolarHBondContact NE2-O 3.45Å; A302-I315 HydrophobicContact CB-CB 3.85Å; A302-I315 HydrophobicContact CB-CG2 3.77Å; E304-I315 HydrophobicContact CG-CG2 3.88Å; E304-I315 WeakPolarHBondContact OE1-CG2 3.44Å; V305-I315 HydrophobicContact CG2-CG2 3.97Å; Y311-I315 HydrophobicContact CD2-CD1 3.91Å; Y311-I315 HydrophobicContact CD2-CG2 4.49Å; Y311-I315 HydrophobicContact CE2-CD1 4.35Å; G312-I315 WeakPolarHBondContact O-CG1 3.1Å; G312-I315 WeakPolarHBondContact O-CG2 3.38Å; G312-I315 PolarHBondContact O-N 2.89Å; M313-I315 PolarHBondContact O-N 3.03Å; I315-M317 VanDerWaalsContact C-N 3.34Å; I315-W318 WeakPolarHBondContact O-CB 3.33Å; I315-W318 PolarHBondContact O-N 2.91Å; I315-S319 PolarHBondContact O-N 3.05Å; I315-S319 PolarHBondContact O-OG 3.44Å
316	D	98.9	Very high	98	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-75	-29.4	180	-64.8	-32.3	0	0	0	111	L248 H258 C259 M313 P314 W318 S319 L320	L248-D316 HydrophobicContact CD2-CB 3.9Å; H258-D316 PolarHBondContact N-OD2 2.98Å; C259-D316 PolarHBondContact N-OD1 2.8Å; C259-D316 VanDerWaalsContact N-OD1 3.14Å; M313-D316 PolarHBondContact O-N 3.08Å; M313-D316 VanDerWaalsContact O-N 3.12Å; P314-D316 VanDerWaalsContact C-N 3.25Å; P314-D316 PolarHBondContact O-N 3.38Å; D316-W318 VanDerWaalsContact C-N 3.35Å; D316-S319 PolarHBondContact O-N 3.4Å; D316-L320 WeakPolarHBondContact O-CB 3.49Å; D316-L320 PolarHBondContact O-N 3.32Å
317	M	98.9	Very high	98	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.02	9%	0.085	C	C	.	.	H	α-helix	trans	-68.9	-34.2	171.3	-73.4	-60.1	-64.1	0	0	112.1	L245 L248 P314 I315 L320 G321 M436 P438 A441	L245-M317 HydrophobicContact CD2-CE 4.08Å; L245-M317 HydrophobicContact CD2-SD 3.98Å; L248-M317 HydrophobicContact CD1-SD 3.94Å; P314-M317 PolarHBondContact O-N 2.76Å; I315-M317 VanDerWaalsContact C-N 3.34Å; M317-L320 HydrophobicContact CE-CD2 3.95Å; M317-L320 PolarHBondContact O-N 3.22Å; M317-L320 HydrophobicContact SD-CD2 3.94Å; M317-G321 PolarHBondContact O-N 3.4Å; M317-G321 VanDerWaalsContact O-N 3.08Å; M317-M436 HydrophobicContact CE-CE 4.39Å; M317-M436 HydrophobicContact CE-CG 4.48Å; M317-M436 WeakPolarHBondContact CE-O 3.11Å; M317-M436 VanDerWaalsContact CG-O 3.28Å; M317-M436 WeakPolarHBondContact CG-O 3.33Å; M317-P438 HydrophobicContact CG-CG 4.22Å; M317-P438 HydrophobicContact SD-CB 4.35Å; M317-P438 HydrophobicContact SD-CG 3.74Å; M317-A441 HydrophobicContact CE-CB 3.79Å
318	W	98.9	Very high	98.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63	-48.7	169.8	178.3	-80.6	0	0	0	111.5	R301 A302 P303 P314 I315 D316 L320 G321 C322 L334 I346 L350 L428	R301-W318 PolarHBondContact O-NE1 3.21Å; A302-W318 HydrophobicContact CB-CB 3.85Å; A302-W318 HydrophobicContact CB-CD2 4.28Å; A302-W318 HydrophobicContact CB-CG 3.76Å; P303-W318 VanDerWaalsContact CD-CE3 3.45Å; P303-W318 VanDerWaalsContact CD-CZ3 3.49Å; P303-W318 HydrophobicContact CG-CE3 4.11Å; P303-W318 HydrophobicContact CG-CH2 3.97Å; P303-W318 HydrophobicContact CG-CZ3 3.74Å; P314-W318 PolarHBondContact O-N 2.87Å; I315-W318 WeakPolarHBondContact O-CB 3.33Å; I315-W318 PolarHBondContact O-N 2.91Å; D316-W318 VanDerWaalsContact C-N 3.35Å; W318-L320 VanDerWaalsContact C-N 3.3Å; W318-L320 PolarHBondContact O-N 3.31Å; W318-G321 PolarHBondContact O-N 3.12Å; W318-C322 PolarHBondContact O-N 3.42Å; W318-C322 VanDerWaalsContact O-N 3.13Å; W318-C322 PolarHBondContact O-SG 3.01Å; W318-L334 HydrophobicContact CZ2-CD1 3.89Å; W318-I346 HydrophobicContact CH2-CD1 4.15Å; W318-I346 HydrophobicContact CH2-CG1 4.22Å; W318-I346 HydrophobicContact CH2-CG2 3.76Å; W318-I346 HydrophobicContact CZ2-CD1 3.63Å; W318-I346 HydrophobicContact CZ2-CG1 3.82Å; W318-I346 HydrophobicContact CZ2-CG2 4.23Å; W318-L350 HydrophobicContact CH2-CD1 3.72Å; W318-L350 HydrophobicContact CZ3-CD1 4.1Å; W318-L428 HydrophobicContact CD2-CD2 3.55Å; W318-L428 HydrophobicContact CE3-CB 4.28Å; W318-L428 HydrophobicContact CE3-CD2 3.72Å; W318-L428 HydrophobicContact CG-CD2 4.04Å; W318-L428 HydrophobicContact CH2-CB 4.41Å; W318-L428 HydrophobicContact CH2-CD2 4.16Å; W318-L428 HydrophobicContact CZ2-CD2 4.02Å; W318-L428 HydrophobicContact CZ3-CB 4.01Å; W318-L428 HydrophobicContact CZ3-CD2 4.03Å; W318-L428 WeakPolarHBondContact CZ3-O 3.46Å
319	S	98.9	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-56.5	-44.5	175.1	-65.2	0	0	0	0	111.8	L261 Q296 Y300 I315 D316 G321 C322 I323	L261-S319 WeakPolarHBondContact O-CB 3.47Å; Q296-S319 PolarHBondContact NE2-OG 3.18Å; Y300-S319 PolarHBondContact O-OG 2.9Å; I315-S319 PolarHBondContact O-N 3.05Å; I315-S319 PolarHBondContact O-OG 3.44Å; D316-S319 PolarHBondContact O-N 3.4Å; S319-G321 PolarHBondContact O-N 3.05Å; S319-C322 PolarHBondContact O-N 2.94Å; S319-I323 VanDerWaalsContact O-CG1 3.25Å; S319-I323 WeakPolarHBondContact O-CG1 3.37Å; S319-I323 PolarHBondContact O-N 2.94Å
320	L	98.9	Very high	98.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55.6	-49.6	175.3	177.6	68.8	0	0	0	111.4	M244 L245 L248 L261 D316 M317 W318 C322 I323 L324	M244-L320 HydrophobicContact CB-CD1 3.93Å; M244-L320 HydrophobicContact CE-CD1 3.59Å; M244-L320 HydrophobicContact SD-CD1 3.92Å; L245-L320 HydrophobicContact CD2-CD2 3.59Å; L245-L320 HydrophobicContact CG-CD2 3.93Å; L248-L320 HydrophobicContact CD1-CB 4.23Å; L248-L320 HydrophobicContact CD1-CD2 4.13Å; L261-L320 HydrophobicContact CD2-CB 4.42Å; D316-L320 WeakPolarHBondContact O-CB 3.49Å; D316-L320 PolarHBondContact O-N 3.32Å; M317-L320 HydrophobicContact CE-CD2 3.95Å; M317-L320 PolarHBondContact O-N 3.22Å; M317-L320 HydrophobicContact SD-CD2 3.94Å; W318-L320 VanDerWaalsContact C-N 3.3Å; W318-L320 PolarHBondContact O-N 3.31Å; L320-C322 VanDerWaalsContact C-N 3.3Å; L320-C322 PolarHBondContact O-N 3.02Å; L320-I323 PolarHBondContact O-N 3.38Å; L320-L324 HydrophobicContact CD1-CD1 4.15Å; L320-L324 HydrophobicContact CD1-CD2 4.25Å; L320-L324 HydrophobicContact CD1-CG 4.04Å; L320-L324 HydrophobicContact CG-CD1 4.04Å; L320-L324 HydrophobicContact CG-CG 4.26Å; L320-L324 VanDerWaalsContact O-CG 3.28Å; L320-L324 WeakPolarHBondContact O-CG 3.45Å; L320-L324 PolarHBondContact O-N 3.03Å
321	G	98.9	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-55.7	-44.9	177.9	0	0	0	0	0	112.7	M317 W318 S319 L324 A325 L424	M317-G321 PolarHBondContact O-N 3.4Å; M317-G321 VanDerWaalsContact O-N 3.08Å; W318-G321 PolarHBondContact O-N 3.12Å; S319-G321 PolarHBondContact O-N 3.05Å; G321-L324 PolarHBondContact O-N 3.4Å; G321-A325 PolarHBondContact O-N 3.34Å; G321-L424 VanDerWaalsContact O-CD2 3.28Å; G321-L424 WeakPolarHBondContact O-CD2 3.47Å
322	C	98.9	Very high	98.7	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.014	6%	0.064	C	C	.	.	H	α-helix	trans	-63.3	-44.5	176.8	-64.8	0	0	0	0	112.4	Y300 W318 S319 L320 A325 E326	Y300-C322 HydrophobicContact CD1-CB 3.72Å; Y300-C322 HydrophobicContact CE1-CB 4.43Å; W318-C322 PolarHBondContact O-N 3.42Å; W318-C322 VanDerWaalsContact O-N 3.13Å; W318-C322 PolarHBondContact O-SG 3.01Å; S319-C322 PolarHBondContact O-N 2.94Å; L320-C322 VanDerWaalsContact C-N 3.3Å; L320-C322 PolarHBondContact O-N 3.02Å; C322-A325 PolarHBondContact O-N 3.27Å; C322-E326 PolarHBondContact O-N 3.07Å; C322-E326 VanDerWaalsContact O-N 3.11Å
323	I	98.9	Very high	98.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.2	-46	177.7	-68.6	163	0	0	0	110.8	M244 L261 P263 Y300 S319 L320 A325 E326 L327	M244-I323 HydrophobicContact CE-CG2 4.06Å; M244-I323 HydrophobicContact SD-CG2 4.19Å; L261-I323 HydrophobicContact CD2-CD1 3.99Å; L261-I323 HydrophobicContact CG-CD1 3.71Å; P263-I323 HydrophobicContact CG-CG1 4.23Å; P263-I323 HydrophobicContact CG-CG2 4.43Å; Y300-I323 HydrophobicContact CD1-CG1 3.81Å; Y300-I323 HydrophobicContact CE1-CG1 3.95Å; S319-I323 VanDerWaalsContact O-CG1 3.25Å; S319-I323 WeakPolarHBondContact O-CG1 3.37Å; S319-I323 PolarHBondContact O-N 2.94Å; L320-I323 PolarHBondContact O-N 3.38Å; I323-A325 VanDerWaalsContact C-N 3.34Å; I323-A325 PolarHBondContact O-N 2.95Å; I323-E326 PolarHBondContact O-N 3.33Å; I323-E326 VanDerWaalsContact O-N 3.16Å; I323-L327 HydrophobicContact CG2-CD1 3.81Å; I323-L327 HydrophobicContact CG2-CG 4.14Å; I323-L327 VanDerWaalsContact O-CG 3.3Å; I323-L327 WeakPolarHBondContact O-CG 3.43Å; I323-L327 PolarHBondContact O-N 3.35Å
324	L	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.7	-38.9	-177.2	-66	-178.4	0	0	0	112.3	V237 A241 M244 L320 G321 E326 L327 L328 F420 F423 L424 W446	V237-L324 HydrophobicContact CG1-CB 4.21Å; V237-L324 HydrophobicContact CG1-CD2 3.96Å; A241-L324 HydrophobicContact CB-CD1 3.77Å; A241-L324 HydrophobicContact CB-CD2 3.61Å; A241-L324 HydrophobicContact CB-CG 4.35Å; M244-L324 HydrophobicContact CE-CD2 3.6Å; L320-L324 HydrophobicContact CD1-CD1 4.15Å; L320-L324 HydrophobicContact CD1-CD2 4.25Å; L320-L324 HydrophobicContact CD1-CG 4.04Å; L320-L324 HydrophobicContact CG-CD1 4.04Å; L320-L324 HydrophobicContact CG-CG 4.26Å; L320-L324 VanDerWaalsContact O-CG 3.28Å; L320-L324 WeakPolarHBondContact O-CG 3.45Å; L320-L324 PolarHBondContact O-N 3.03Å; G321-L324 PolarHBondContact O-N 3.4Å; L324-E326 VanDerWaalsContact C-N 3.33Å; L324-L327 HydrophobicContact CD2-CD1 4.24Å; L324-L327 PolarHBondContact O-N 3.26Å; L324-L328 WeakPolarHBondContact O-CB 3.46Å; L324-L328 PolarHBondContact O-N 3.5Å; L324-F420 HydrophobicContact CB-CE2 4.06Å; L324-F420 HydrophobicContact CB-CZ 4.07Å; L324-F423 HydrophobicContact CD1-CD1 4.14Å; L324-F423 HydrophobicContact CD1-CE1 3.59Å; L324-L424 HydrophobicContact CB-CD2 4.07Å; L324-W446 HydrophobicContact CD1-CH2 4.15Å; L324-W446 HydrophobicContact CD1-CZ3 4.05Å
325	A	98.9	Very high	98.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.4	-38.5	173.7	0	0	0	0	0	112.1	G321 C322 I323 L328 T329 L333 L412 L424	G321-A325 PolarHBondContact O-N 3.34Å; C322-A325 PolarHBondContact O-N 3.27Å; I323-A325 VanDerWaalsContact C-N 3.34Å; I323-A325 PolarHBondContact O-N 2.95Å; A325-L328 PolarHBondContact O-N 3.19Å; A325-T329 WeakPolarHBondContact O-CB 3.45Å; A325-T329 WeakPolarHBondContact O-CG2 3.48Å; A325-T329 PolarHBondContact O-N 3.34Å; A325-T329 PolarHBondContact O-OG1 2.96Å; A325-L333 HydrophobicContact CB-CB 3.9Å; A325-L333 HydrophobicContact CB-CD1 4.15Å; A325-L333 HydrophobicContact CB-CD2 3.88Å; A325-L333 HydrophobicContact CB-CG 4.19Å; A325-L412 HydrophobicContact CB-CD2 3.85Å; A325-L424 HydrophobicContact CB-CD1 3.99Å
326	E	98.8	Very high	98.8	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.019	5%	0.052	C	C	.	.	H	α-helix	trans	-69.6	-40.9	176.6	178.2	168.5	-166.2	0	0	112.6	I224 Y300 C322 I323 L324 L328 T329 G330 Y331 P332	I224-E326 HydrophobicContact CD1-CG 3.87Å; Y300-E326 VanDerWaalsContact CE1-OE2 3.27Å; Y300-E326 WeakPolarHBondContact CE1-OE2 3.21Å; Y300-E326 VanDerWaalsContact CZ-OE2 3.3Å; Y300-E326 PolarHBondContact OH-OE2 2.96Å; C322-E326 PolarHBondContact O-N 3.07Å; C322-E326 VanDerWaalsContact O-N 3.11Å; I323-E326 PolarHBondContact O-N 3.33Å; I323-E326 VanDerWaalsContact O-N 3.16Å; L324-E326 VanDerWaalsContact C-N 3.33Å; E326-L328 VanDerWaalsContact C-N 3.28Å; E326-L328 PolarHBondContact O-N 3.1Å; E326-T329 PolarHBondContact O-N 2.92Å; E326-G330 WeakPolarHBondContact O-CA 2.98Å; E326-G330 PolarHBondContact O-N 2.99Å; E326-Y331 WeakPolarHBondContact CA-O 3.35Å; E326-P332 WeakPolarHBondContact OE1-CG 3.28Å
327	L	98.9	Very high	98.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60	-40.8	172.9	-70.5	172.5	0	0	0	111.4	L220 I224 F232 V237 F240 M244 I323 L324	L220-L327 HydrophobicContact CB-CD2 4.15Å; L220-L327 HydrophobicContact CD1-CD1 4.07Å; L220-L327 HydrophobicContact CD1-CD2 4.05Å; I224-L327 HydrophobicContact CD1-CD2 4.02Å; I224-L327 HydrophobicContact CG1-CD2 4.15Å; F232-L327 HydrophobicContact CD2-CB 4.08Å; F232-L327 HydrophobicContact CD2-CD2 3.91Å; F232-L327 WeakPolarHBondContact CD2-O 3.44Å; F232-L327 HydrophobicContact CE2-CD2 3.73Å; F232-L327 PolarHBondContact N-O 3.21Å; V237-L327 HydrophobicContact CG1-CB 4.49Å; V237-L327 HydrophobicContact CG2-CB 4.07Å; F240-L327 HydrophobicContact CB-CD1 4.14Å; F240-L327 HydrophobicContact CD2-CD1 4.06Å; F240-L327 HydrophobicContact CG-CD1 4.46Å; M244-L327 HydrophobicContact CE-CD1 4.31Å; I323-L327 HydrophobicContact CG2-CD1 3.81Å; I323-L327 HydrophobicContact CG2-CG 4.14Å; I323-L327 VanDerWaalsContact O-CG 3.3Å; I323-L327 WeakPolarHBondContact O-CG 3.43Å; I323-L327 PolarHBondContact O-N 3.35Å; L324-L327 HydrophobicContact CD2-CD1 4.24Å; L324-L327 PolarHBondContact O-N 3.26Å
328	L	98.8	Very high	98.6	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-67.6	-45.3	178.3	-180	62.8	0	0	0	112.2	G231 F232 L234 V237 L324 A325 E326 M415 F420	G231-L328 WeakPolarHBondContact CA-O 3.49Å; F232-L328 PolarHBondContact N-O 2.87Å; F232-L328 WeakPolarHBondContact O-CD1 3.45Å; L234-L328 HydrophobicContact CD2-CD1 3.73Å; L234-L328 HydrophobicContact CD2-CD2 3.97Å; L234-L328 HydrophobicContact CD2-CG 4.47Å; L234-L328 HydrophobicContact CG-CD1 3.87Å; V237-L328 HydrophobicContact CG2-CB 4.18Å; V237-L328 HydrophobicContact CG2-CD1 4.42Å; L324-L328 WeakPolarHBondContact O-CB 3.46Å; L324-L328 PolarHBondContact O-N 3.5Å; A325-L328 PolarHBondContact O-N 3.19Å; E326-L328 VanDerWaalsContact C-N 3.28Å; E326-L328 PolarHBondContact O-N 3.1Å; L328-M415 HydrophobicContact CD1-CB 4Å; L328-M415 HydrophobicContact CD1-CE 4.35Å; L328-M415 HydrophobicContact CD2-CB 4.03Å; L328-M415 HydrophobicContact CG-CB 3.89Å; L328-M415 WeakPolarHBondContact O-CE 3.07Å; L328-F420 HydrophobicContact CB-CE1 4.36Å; L328-F420 HydrophobicContact CB-CZ 4.42Å; L328-F420 HydrophobicContact CD2-CD1 3.74Å; L328-F420 HydrophobicContact CD2-CE1 3.3Å; L328-F420 HydrophobicContact CD2-CZ 4.1Å; L328-F420 HydrophobicContact CG-CE1 4.44Å
329	T	98.7	Very high	98.5	Very high	5 Å²	5	15 Å²	15	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-97.8	-17.1	-167.9	62.7	0	0	0	0	114.6	A325 E326 Y331 L412 K413	A325-T329 WeakPolarHBondContact O-CB 3.45Å; A325-T329 WeakPolarHBondContact O-CG2 3.48Å; A325-T329 PolarHBondContact O-N 3.34Å; A325-T329 PolarHBondContact O-OG1 2.96Å; E326-T329 PolarHBondContact O-N 2.92Å; T329-Y331 VanDerWaalsContact C-N 3.33Å; T329-Y331 WeakPolarHBondContact O-CD2 3.46Å; T329-Y331 PolarHBondContact OG1-N 2.84Å; T329-Y331 PolarHBondContact OG1-O 3.44Å; T329-Y331 VanDerWaalsContact OG1-O 3.05Å; T329-L412 HydrophobicContact CG2-CB 4.44Å; T329-L412 HydrophobicContact CG2-CD2 4.28Å; T329-K413 PolarHBondContact O-NZ 2.91Å
330	G	98.6	Very high	98.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.01	9%	0.093	C	C	.	.	S	Bend	trans	80.8	0.1	-170.1	0	0	0	0	0	115	F229 E326	F229-G330 WeakPolarHBondContact CD1-O 3.36Å; E326-G330 WeakPolarHBondContact O-CA 2.98Å; E326-G330 PolarHBondContact O-N 2.99Å
331	Y	98.5	Very high	98.4	Very high	116 Å²	116	19 Å²	19	46%	0.455	10%	0.096	S	C	.	.	S	Bend	trans	-136.6	146.7	-174.8	-63.7	-99.7	0	0	0	111.3	F229 E326 T329 L333	F229-Y331 HydrophobicContact CB-CE2 3.89Å; F229-Y331 WeakPolarHBondContact O-CE2 3.45Å; E326-Y331 WeakPolarHBondContact CA-O 3.35Å; T329-Y331 VanDerWaalsContact C-N 3.33Å; T329-Y331 WeakPolarHBondContact O-CD2 3.46Å; T329-Y331 PolarHBondContact OG1-N 2.84Å; T329-Y331 PolarHBondContact OG1-O 3.44Å; T329-Y331 VanDerWaalsContact OG1-O 3.05Å; Y331-L333 PolarHBondContact O-N 3.44Å
332	P	98.8	Very high	98.4	Very high	33 Å²	33	19 Å²	19	21%	0.214	10%	0.096	C	C	.	.			trans	-56.9	134.5	177.4	-21.1	28.9	0	0	0	111.7	F299 E326 L334 P335	F299-P332 HydrophobicContact CB-CB 4.47Å; F299-P332 HydrophobicContact CD2-CB 3.94Å; F299-P332 HydrophobicContact CD2-CG 3.92Å; F299-P332 HydrophobicContact CE2-CB 4.49Å; F299-P332 HydrophobicContact CE2-CG 4.13Å; F299-P332 HydrophobicContact CG-CB 4.35Å; E326-P332 WeakPolarHBondContact OE1-CG 3.28Å; P332-L334 VanDerWaalsContact C-N 3.35Å; P332-L334 PolarHBondContact O-N 3.08Å; P332-P335 HydrophobicContact CB-CB 4.19Å
333	L	98.8	Very high	98.4	Very high	4 Å²	4	19 Å²	19	2%	0.021	10%	0.096	C	C	.	.	S	Bend	trans	-63.4	-42.1	-179.9	-178.6	63.9	0	0	0	112	A325 Y331 P335 L349 R406 A411 L412 L428	A325-L333 HydrophobicContact CB-CB 3.9Å; A325-L333 HydrophobicContact CB-CD1 4.15Å; A325-L333 HydrophobicContact CB-CD2 3.88Å; A325-L333 HydrophobicContact CB-CG 4.19Å; Y331-L333 PolarHBondContact O-N 3.44Å; L333-P335 WeakPolarHBondContact O-CD 3.39Å; L333-L349 HydrophobicContact CD1-CD2 4.12Å; L333-L349 HydrophobicContact CD2-CD2 4.05Å; L333-L349 HydrophobicContact CG-CD2 4.11Å; L333-R406 PolarHBondContact O-NH1 3.19Å; L333-A411 HydrophobicContact CD1-CB 3.91Å; L333-L412 HydrophobicContact CD1-CD2 4.44Å; L333-L428 HydrophobicContact CD2-CD1 3.62Å
334	L	98.6	Very high	98.4	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.097	C	C	.	.	S	Bend	trans	-127.1	73.8	-173.9	-57	170.5	0	0	0	110.4	W318 P332 G336 Q342 L345 I346 L349	W318-L334 HydrophobicContact CZ2-CD1 3.89Å; P332-L334 VanDerWaalsContact C-N 3.35Å; P332-L334 PolarHBondContact O-N 3.08Å; L334-G336 VanDerWaalsContact C-N 3.32Å; L334-G336 PolarHBondContact O-N 3.39Å; L334-Q342 VanDerWaalsContact CB-NE2 3.28Å; L334-Q342 PolarHBondContact O-NE2 3.03Å; L334-Q342 VanDerWaalsContact O-NE2 3.11Å; L334-Q342 PolarHBondContact O-OE1 3.32Å; L334-L345 HydrophobicContact CD2-CB 3.97Å; L334-I346 HydrophobicContact CD1-CG1 3.77Å; L334-L349 HydrophobicContact CD2-CD2 4.1Å
335	P	98.3	Very high	98.4	Very high	38 Å²	38	19.2 Å²	19.2	25%	0.247	10%	0.097	C	C	.	.			trans	-83.4	65.5	-175.3	34.6	-35.9	0	0	0	112.7	F299 P332 L333 L345	F299-P335 HydrophobicContact CE1-CB 4.34Å; F299-P335 HydrophobicContact CZ-CB 4.44Å; P332-P335 HydrophobicContact CB-CB 4.19Å; L333-P335 WeakPolarHBondContact O-CD 3.39Å; P335-L345 VanDerWaalsContact C-CD1 3.49Å; P335-L345 HydrophobicContact CG-CD1 4.45Å
336	G	98.2	Very high	98.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	10%	0.097	C	C	.	.			trans	-72.5	140.5	-177.6	0	0	0	0	0	114.1	R298 F299 L334 D341 Q342 L345	R298-G336 WeakPolarHBondContact CD-O 3.36Å; F299-G336 VanDerWaalsContact CE1-O 3.3Å; F299-G336 WeakPolarHBondContact CE1-O 3.35Å; L334-G336 VanDerWaalsContact C-N 3.32Å; L334-G336 PolarHBondContact O-N 3.39Å; G336-D341 WeakPolarHBondContact CA-OD2 3.25Å; G336-Q342 VanDerWaalsContact CA-OE1 3.25Å; G336-L345 VanDerWaalsContact N-CD1 3.33Å
337	E	97.8	Very high	98.4	Very high	26 Å²	26	19.1 Å²	19.1	12%	0.121	10%	0.097	C	C	.	.	S	Bend	trans	-75.4	-38.1	-178.8	-68.1	166.8	-161.9	0	0	112.8	D341 S394 K395 R396	E337-D341 HydrophobicContact CB-CB 4.28Å; E337-D341 PolarHBondContact N-OD2 3.45Å; E337-S394 VanDerWaalsContact CD-OG 3.24Å; E337-S394 VanDerWaalsContact OE1-CB 3.3Å; E337-S394 WeakPolarHBondContact OE1-CB 3.44Å; E337-S394 PolarHBondContact OE1-OG 3.44Å; E337-S394 WeakPolarHBondContact OE2-CB 3.45Å; E337-S394 PolarHBondContact OE2-OG 2.88Å; E337-K395 PolarHBondContact OE2-N 2.83Å; E337-R396 HydrophobicContact CG-CG 4.35Å; E337-R396 VanDerWaalsContact OE1-CB 3.32Å; E337-R396 WeakPolarHBondContact OE1-CB 3.19Å; E337-R396 WeakPolarHBondContact OE2-CG 3.35Å; E337-R396 PolarHBondContact OE2-N 3.24Å
338	D	97.5	Very high	98.4	Very high	33 Å²	33	20.2 Å²	20.2	18%	0.176	10%	0.102	C	C	.	.	S	Bend	trans	-143	-174.2	174.6	61.1	39.3	0	0	0	109.8	N340 D341 Q342 K395	D338-N340 VanDerWaalsContact C-N 3.31Å; D338-N340 PolarHBondContact O-N 2.99Å; D338-N340 WeakPolarHBondContact OD1-CB 3.28Å; D338-N340 PolarHBondContact OD1-N 2.92Å; D338-D341 PolarHBondContact OD1-N 3.22Å; D338-Q342 VanDerWaalsContact O-CB 3.26Å; D338-Q342 WeakPolarHBondContact O-CB 3.48Å; D338-Q342 PolarHBondContact O-N 3.11Å; D338-K395 WeakPolarHBondContact OD2-CE 3.22Å; D338-K395 IonicContact OD2-NZ 3.96Å; D338-K395 PolarHBondContact OD2-NZ 3.44Å
339	E	96.9	Very high	98.4	Very high	48 Å²	48	20.5 Å²	20.5	22%	0.224	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-29.9	-178.3	61.7	-179.6	174.2	0	0	114.1	I306 L343 R363 F367	I306-E339 HydrophobicContact CG2-CB 4.4Å; E339-L343 PolarHBondContact O-N 3.37Å; E339-L343 VanDerWaalsContact O-N 3.16Å; E339-R363 IonicContact OE1-CZ 2.69Å; E339-R363 IonicContact OE1-NH2 3.89Å; E339-R363 PolarHBondContact OE1-NH2 3.13Å; E339-R363 IonicContact OE2-CZ 3.82Å; E339-R363 VanDerWaalsContact OE2-CZ 3.27Å; E339-R363 IonicContact OE2-NH1 2.61Å; E339-R363 PolarHBondContact OE2-NH1 2.86Å; E339-R363 IonicContact OE2-NH2 3.16Å; E339-R363 PolarHBondContact OE2-NH2 2.89Å; E339-F367 HydrophobicContact CG-CE1 4.28Å; E339-F367 HydrophobicContact CG-CZ 4.35Å
340	N	96.9	Very high	98.3	Very high	72 Å²	72	22.3 Å²	22.3	39%	0.385	11%	0.112	S	C	.	.	H	α-helix	trans	-72.1	-47.2	177.6	-69	-79.2	0	0	0	109.9	D338 Q342 L343 A344 F367	D338-N340 VanDerWaalsContact C-N 3.31Å; D338-N340 PolarHBondContact O-N 2.99Å; D338-N340 WeakPolarHBondContact OD1-CB 3.28Å; D338-N340 PolarHBondContact OD1-N 2.92Å; N340-Q342 VanDerWaalsContact C-N 3.3Å; N340-Q342 PolarHBondContact O-N 3.35Å; N340-L343 PolarHBondContact O-N 3.42Å; N340-A344 PolarHBondContact O-N 3.13Å; N340-F367 HydrophobicContact CB-CD1 4.49Å; N340-F367 HydrophobicContact CB-CE1 4.38Å; N340-F367 WeakPolarHBondContact OD1-CD1 3.46Å; N340-F367 WeakPolarHBondContact OD1-CE1 3.49Å
341	D	98.5	Very high	98.3	Very high	12 Å²	12	22.6 Å²	22.6	6%	0.064	12%	0.116	C	C	.	.	H	α-helix	trans	-66.4	-33.3	177.4	-169.5	55.1	0	0	0	111.9	G336 E337 D338 A344 L345 S394 R400	G336-D341 WeakPolarHBondContact CA-OD2 3.25Å; E337-D341 HydrophobicContact CB-CB 4.28Å; E337-D341 PolarHBondContact N-OD2 3.45Å; D338-D341 PolarHBondContact OD1-N 3.22Å; D341-A344 PolarHBondContact O-N 3.45Å; D341-L345 WeakPolarHBondContact O-CG 3.38Å; D341-L345 PolarHBondContact O-N 3.11Å; D341-S394 WeakPolarHBondContact OD1-CB 3.38Å; D341-R400 IonicContact OD1-CZ 3.11Å; D341-R400 IonicContact OD1-NE 3.91Å; D341-R400 PolarHBondContact OD1-NE 3.38Å; D341-R400 IonicContact OD1-NH2 3.61Å; D341-R400 PolarHBondContact OD1-NH2 2.83Å; D341-R400 IonicContact OD2-CZ 3.47Å; D341-R400 IonicContact OD2-NE 2.67Å; D341-R400 IonicContact OD2-NH2 3.45Å; D341-R400 PolarHBondContact OD2-NH2 3.17Å
342	Q	98.8	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-47.6	173	-172.3	65.7	29.9	0	0	111.3	R298 I306 L334 G336 D338 N340 A344 L345 I346	R298-Q342 HydrophobicContact CG-CB 4.15Å; R298-Q342 HydrophobicContact CG-CG 4.14Å; R298-Q342 PolarHBondContact O-NE2 3.08Å; R298-Q342 PolarHBondContact O-OE1 3.46Å; I306-Q342 HydrophobicContact CD1-CB 4.13Å; I306-Q342 HydrophobicContact CD1-CG 3.69Å; L334-Q342 VanDerWaalsContact CB-NE2 3.28Å; L334-Q342 PolarHBondContact O-NE2 3.03Å; L334-Q342 VanDerWaalsContact O-NE2 3.11Å; L334-Q342 PolarHBondContact O-OE1 3.32Å; G336-Q342 VanDerWaalsContact CA-OE1 3.25Å; D338-Q342 VanDerWaalsContact O-CB 3.26Å; D338-Q342 WeakPolarHBondContact O-CB 3.48Å; D338-Q342 PolarHBondContact O-N 3.11Å; N340-Q342 VanDerWaalsContact C-N 3.3Å; N340-Q342 PolarHBondContact O-N 3.35Å; Q342-A344 VanDerWaalsContact C-N 3.35Å; Q342-L345 PolarHBondContact O-N 3.35Å; Q342-I346 WeakPolarHBondContact O-CG1 3.46Å; Q342-I346 PolarHBondContact O-N 2.82Å
343	L	98.5	Very high	98.1	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-69.1	-34.1	177.9	-167.5	68.8	0	0	0	112.1	P303 I306 L307 E339 N340 L345 I346 I347 F367 W430	P303-L343 HydrophobicContact CB-CD1 4.48Å; I306-L343 HydrophobicContact CG2-CB 4.28Å; L307-L343 HydrophobicContact CD2-CD2 3.91Å; E339-L343 PolarHBondContact O-N 3.37Å; E339-L343 VanDerWaalsContact O-N 3.16Å; N340-L343 PolarHBondContact O-N 3.42Å; L343-L345 VanDerWaalsContact C-N 3.34Å; L343-L345 PolarHBondContact O-N 3.44Å; L343-I346 HydrophobicContact CD1-CD1 4.29Å; L343-I346 WeakPolarHBondContact O-CB 3.35Å; L343-I346 PolarHBondContact O-N 3.03Å; L343-I347 HydrophobicContact CD2-CD1 4.42Å; L343-I347 HydrophobicContact CG-CD1 4.04Å; L343-I347 HydrophobicContact CG-CG1 4.47Å; L343-I347 WeakPolarHBondContact O-CG1 3.25Å; L343-I347 PolarHBondContact O-N 3.08Å; L343-F367 HydrophobicContact CB-CD1 4.49Å; L343-F367 HydrophobicContact CD2-CB 3.42Å; L343-F367 VanDerWaalsContact CD2-CB 3.42Å; L343-F367 HydrophobicContact CD2-CD1 3.81Å; L343-F367 HydrophobicContact CD2-CD2 3.88Å; L343-F367 HydrophobicContact CD2-CG 3.42Å; L343-F367 VanDerWaalsContact CD2-CG 3.42Å; L343-W430 HydrophobicContact CD1-CH2 3.81Å; L343-W430 HydrophobicContact CD1-CZ3 3.93Å
344	A	98.6	Very high	97.9	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.017	12%	0.116	C	C	.	.	H	α-helix	trans	-58.2	-46	174	0	0	0	0	0	111.6	N340 D341 Q342 I346 I347 E348 Y376 R400	N340-A344 PolarHBondContact O-N 3.13Å; D341-A344 PolarHBondContact O-N 3.45Å; Q342-A344 VanDerWaalsContact C-N 3.35Å; A344-I346 VanDerWaalsContact C-N 3.33Å; A344-I346 PolarHBondContact O-N 2.91Å; A344-I347 PolarHBondContact O-N 3.19Å; A344-E348 WeakPolarHBondContact O-CB 3.11Å; A344-E348 PolarHBondContact O-N 3.46Å; A344-Y376 HydrophobicContact CB-CD1 3.56Å; A344-Y376 HydrophobicContact CB-CD2 3.93Å; A344-Y376 HydrophobicContact CB-CE1 3.91Å; A344-Y376 HydrophobicContact CB-CE2 4.24Å; A344-Y376 HydrophobicContact CB-CG 3.59Å; A344-R400 HydrophobicContact CB-CG 4.41Å
345	L	98.8	Very high	97.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-37.3	175.2	-77.7	166.4	0	0	0	113.2	L334 P335 G336 D341 Q342 L343 L349	L334-L345 HydrophobicContact CD2-CB 3.97Å; P335-L345 VanDerWaalsContact C-CD1 3.49Å; P335-L345 HydrophobicContact CG-CD1 4.45Å; G336-L345 VanDerWaalsContact N-CD1 3.33Å; D341-L345 WeakPolarHBondContact O-CG 3.38Å; D341-L345 PolarHBondContact O-N 3.11Å; Q342-L345 PolarHBondContact O-N 3.35Å; L343-L345 VanDerWaalsContact C-N 3.34Å; L343-L345 PolarHBondContact O-N 3.44Å; L345-L349 PolarHBondContact O-N 2.94Å
346	I	98.8	Very high	97.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-48.8	174.9	-65.7	170.4	0	0	0	109.6	P303 I306 W318 L334 Q342 L343 A344 E348 L349 L350 W430	P303-I346 HydrophobicContact CB-CD1 4.43Å; I306-I346 HydrophobicContact CD1-CD1 4.14Å; W318-I346 HydrophobicContact CH2-CD1 4.15Å; W318-I346 HydrophobicContact CH2-CG1 4.22Å; W318-I346 HydrophobicContact CH2-CG2 3.76Å; W318-I346 HydrophobicContact CZ2-CD1 3.63Å; W318-I346 HydrophobicContact CZ2-CG1 3.82Å; W318-I346 HydrophobicContact CZ2-CG2 4.23Å; L334-I346 HydrophobicContact CD1-CG1 3.77Å; Q342-I346 WeakPolarHBondContact O-CG1 3.46Å; Q342-I346 PolarHBondContact O-N 2.82Å; L343-I346 HydrophobicContact CD1-CD1 4.29Å; L343-I346 WeakPolarHBondContact O-CB 3.35Å; L343-I346 PolarHBondContact O-N 3.03Å; A344-I346 VanDerWaalsContact C-N 3.33Å; A344-I346 PolarHBondContact O-N 2.91Å; I346-E348 PolarHBondContact O-N 2.95Å; I346-L349 PolarHBondContact O-N 3.44Å; I346-L350 HydrophobicContact CG2-CD1 3.84Å; I346-L350 HydrophobicContact CG2-CG 4.4Å; I346-L350 WeakPolarHBondContact O-CB 3.19Å; I346-L350 PolarHBondContact O-N 3.2Å; I346-W430 HydrophobicContact CB-CH2 4.26Å; I346-W430 HydrophobicContact CB-CZ2 4.49Å; I346-W430 HydrophobicContact CG2-CH2 3.42Å; I346-W430 VanDerWaalsContact CG2-CH2 3.42Å; I346-W430 HydrophobicContact CG2-CZ2 3.45Å; I346-W430 VanDerWaalsContact CG2-CZ2 3.45Å; I346-W430 HydrophobicContact CG2-CZ3 4.05Å
347	I	98.8	Very high	96.6	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-40.6	-179.3	-67.9	169.9	0	0	0	111.4	L343 A344 L349 G351 M352 I368 P374 Y376 P403 A404 W430	L343-I347 HydrophobicContact CD2-CD1 4.42Å; L343-I347 HydrophobicContact CG-CD1 4.04Å; L343-I347 HydrophobicContact CG-CG1 4.47Å; L343-I347 WeakPolarHBondContact O-CG1 3.25Å; L343-I347 PolarHBondContact O-N 3.08Å; A344-I347 PolarHBondContact O-N 3.19Å; I347-L349 VanDerWaalsContact C-N 3.26Å; I347-L349 PolarHBondContact O-N 3.4Å; I347-G351 WeakPolarHBondContact CA-O 3.48Å; I347-G351 CarbonylContact O-C 3.59Å; I347-G351 VanDerWaalsContact O-CA 3.22Å; I347-G351 WeakPolarHBondContact O-CA 3.34Å; I347-G351 PolarHBondContact O-N 3.45Å; I347-M352 HydrophobicContact CD1-SD 4.45Å; I347-M352 HydrophobicContact CG2-SD 3.73Å; I347-I368 HydrophobicContact CD1-CD1 4.16Å; I347-P374 HydrophobicContact CD1-CB 4.08Å; I347-Y376 HydrophobicContact CB-CE1 4.12Å; I347-Y376 HydrophobicContact CD1-CE1 4.28Å; I347-Y376 HydrophobicContact CG2-CE1 3.99Å; I347-P403 HydrophobicContact CG2-CB 3.71Å; I347-P403 HydrophobicContact CG2-CG 3.62Å; I347-P403 WeakPolarHBondContact O-CA 3.3Å; I347-A404 PolarHBondContact O-N 3.38Å; I347-W430 HydrophobicContact CG1-CH2 3.84Å; I347-W430 HydrophobicContact CG1-CZ2 3.9Å
348	E	98.8	Very high	96.3	Very high	22 Å²	22	30.5 Å²	30.5	10%	0.103	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-36.9	176.5	-174.3	-170.9	-153.6	0	0	112	A344 I346 G401 A404 S405 R406	A344-E348 WeakPolarHBondContact O-CB 3.11Å; A344-E348 PolarHBondContact O-N 3.46Å; I346-E348 PolarHBondContact O-N 2.95Å; E348-G401 PolarHBondContact OE1-N 3.12Å; E348-A404 CarbonylContact O-C 3.54Å; E348-A404 VanDerWaalsContact O-C 3.26Å; E348-A404 WeakPolarHBondContact O-CA 3.36Å; E348-A404 PolarHBondContact O-N 2.68Å; E348-S405 PolarHBondContact O-N 3.05Å; E348-S405 VanDerWaalsContact O-N 3.08Å; E348-R406 HydrophobicContact CG-CB 3.79Å; E348-R406 PolarHBondContact O-N 3.3Å
349	L	98.7	Very high	96	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-87.3	-43.3	-179.3	-179.4	62.6	0	0	0	113.4	L333 L334 L345 I346 I347 R406 W408 A411	L333-L349 HydrophobicContact CD1-CD2 4.12Å; L333-L349 HydrophobicContact CD2-CD2 4.05Å; L333-L349 HydrophobicContact CG-CD2 4.11Å; L334-L349 HydrophobicContact CD2-CD2 4.1Å; L345-L349 PolarHBondContact O-N 2.94Å; I346-L349 PolarHBondContact O-N 3.44Å; I347-L349 VanDerWaalsContact C-N 3.26Å; I347-L349 PolarHBondContact O-N 3.4Å; L349-R406 HydrophobicContact CD1-CG 4.48Å; L349-R406 WeakPolarHBondContact CD1-O 3.35Å; L349-W408 HydrophobicContact CD1-CD2 4.31Å; L349-W408 HydrophobicContact CD2-CH2 4.22Å; L349-W408 HydrophobicContact CD2-CZ2 4.47Å; L349-W408 HydrophobicContact CD2-CZ3 4.4Å; L349-W408 HydrophobicContact CG-CZ2 4.4Å; L349-A411 HydrophobicContact CD1-CB 3.83Å
350	L	98.4	Very high	95.6	Very high	43 Å²	43	38.8 Å²	38.8	23%	0.225	21%	0.21	C	C	.	.	H	α-helix	trans	-104.4	-8.5	-168.6	-56	-176	0	0	0	113.8	W318 I346 W408 L428	W318-L350 HydrophobicContact CH2-CD1 3.72Å; W318-L350 HydrophobicContact CZ3-CD1 4.1Å; I346-L350 HydrophobicContact CG2-CD1 3.84Å; I346-L350 HydrophobicContact CG2-CG 4.4Å; I346-L350 WeakPolarHBondContact O-CB 3.19Å; I346-L350 PolarHBondContact O-N 3.2Å; L350-W408 HydrophobicContact CD2-CH2 4.1Å; L350-W408 HydrophobicContact CD2-CZ2 3.47Å; L350-W408 VanDerWaalsContact CD2-CZ2 3.47Å; L350-L428 HydrophobicContact CD1-CB 4.26Å; L350-L428 WeakPolarHBondContact CD1-O 3.46Å
351	G	98.3	Very high	95.6	Very high	8 Å²	8	35.9 Å²	35.9	8%	0.082	20%	0.197	C	C	.	.			trans	80.6	-173.2	-168.5	0	0	0	0	0	112.4	I347 W430	I347-G351 WeakPolarHBondContact CA-O 3.48Å; I347-G351 CarbonylContact O-C 3.59Å; I347-G351 VanDerWaalsContact O-CA 3.22Å; I347-G351 WeakPolarHBondContact O-CA 3.34Å; I347-G351 PolarHBondContact O-N 3.45Å; G351-W430 VanDerWaalsContact O-CZ2 3.28Å; G351-W430 WeakPolarHBondContact O-CZ2 3.26Å; G351-W430 PolarHBondContact O-NE1 3.43Å
352	M	97.6	Very high	95.4	Very high	62 Å²	62	44.6 Å²	44.6	31%	0.305	23%	0.234	S	C	.	.	S	Bend	trans	-67.7	146.4	-177.2	-69.3	-64.2	-68.5	0	0	112.1	I347 I368 G372 P374 P403	I347-M352 HydrophobicContact CD1-SD 4.45Å; I347-M352 HydrophobicContact CG2-SD 3.73Å; M352-I368 HydrophobicContact CE-CD1 3.93Å; M352-G372 WeakPolarHBondContact CE-O 3.18Å; M352-P374 HydrophobicContact CE-CB 4.43Å; M352-P374 HydrophobicContact CE-CG 4.45Å; M352-P374 HydrophobicContact SD-CB 4.11Å; M352-P374 HydrophobicContact SD-CG 3.82Å; M352-P403 HydrophobicContact CG-CB 3.97Å; M352-P403 HydrophobicContact CG-CG 3.94Å; M352-P403 HydrophobicContact SD-CB 4.23Å; M352-P403 HydrophobicContact SD-CG 3.7Å
353	P	95.5	Very high	95.3	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.052	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-58.6	141.7	169.1	23.4	-32.6	0	0	0	110.7	L358 W430	P353-L358 HydrophobicContact CB-CD2 4.17Å; P353-L358 HydrophobicContact CB-CG 4.34Å; P353-L358 HydrophobicContact CG-CD1 4.17Å; P353-L358 HydrophobicContact CG-CD2 3.75Å; P353-L358 HydrophobicContact CG-CG 4.09Å; P353-W430 HydrophobicContact CB-CD2 3.96Å; P353-W430 HydrophobicContact CB-CE3 3.71Å; P353-W430 HydrophobicContact CB-CH2 4.03Å; P353-W430 HydrophobicContact CB-CZ2 4.26Å; P353-W430 HydrophobicContact CB-CZ3 3.75Å; P353-W430 HydrophobicContact CG-CH2 4.23Å; P353-W430 HydrophobicContact CG-CZ3 4.3Å
354	P	93.5	Very high	95.2	Very high	52 Å²	52	48.8 Å²	48.8	34%	0.338	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-57.3	148.2	172.3	-23.3	32.9	0	0	0	112	K356 S357 W430	P354-K356 VanDerWaalsContact C-N 3.3Å; P354-K356 PolarHBondContact O-N 3.25Å; P354-S357 WeakPolarHBondContact O-CB 3.29Å; P354-S357 PolarHBondContact O-N 3.16Å; P354-W430 HydrophobicContact CG-CB 4.13Å
355	P	91.3	Very high	95.1	Very high	100 Å²	100	59.2 Å²	59.2	65%	0.649	29%	0.291	S	S	*	.	H	α-helix	trans	-53.4	-43.2	179.3	-28.6	35.6	0	0	0	113.8	S357 L358 E359	P355-S357 PolarHBondContact O-N 2.86Å; P355-L358 WeakPolarHBondContact O-CA 3.28Å; P355-L358 WeakPolarHBondContact O-CB 3.28Å; P355-L358 PolarHBondContact O-N 3Å; P355-E359 PolarHBondContact O-N 3.49Å; P355-E359 VanDerWaalsContact O-N 3.16Å
356	K	88.7	Confident	95	Very high	107 Å²	107	62.3 Å²	62.3	47%	0.465	31%	0.31	S	S	.	.	H	α-helix	trans	-53	-38.6	175.7	-175	-170.5	169.8	-150.8	0	112.4	P354 L358 D431 E433	P354-K356 VanDerWaalsContact C-N 3.3Å; P354-K356 PolarHBondContact O-N 3.25Å; K356-L358 VanDerWaalsContact C-N 3.25Å; K356-L358 PolarHBondContact O-N 3.41Å; K356-D431 IonicContact NZ-OD2 3.64Å; K356-D431 PolarHBondContact NZ-OD2 3.06Å; K356-E433 IonicContact NZ-OE2 3.72Å; K356-E433 PolarHBondContact NZ-OE2 2.9Å
357	S	88.4	Confident	94.9	Very high	15 Å²	15	62.7 Å²	62.7	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-69.5	-22.7	178.7	-51.8	0	0	0	0	112.9	P354 P355	P354-S357 WeakPolarHBondContact O-CB 3.29Å; P354-S357 PolarHBondContact O-N 3.16Å; P355-S357 PolarHBondContact O-N 2.86Å
358	L	91.8	Very high	94.8	Very high	41 Å²	41	63 Å²	63	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-90.5	-26.5	179.3	-62.8	-179.8	0	0	0	113.2	L307 P353 P355 K356 T360 A361 A364 I368	L307-L358 HydrophobicContact CD1-CD2 4.44Å; L307-L358 HydrophobicContact CD2-CD2 4.37Å; P353-L358 HydrophobicContact CB-CD2 4.17Å; P353-L358 HydrophobicContact CB-CG 4.34Å; P353-L358 HydrophobicContact CG-CD1 4.17Å; P353-L358 HydrophobicContact CG-CD2 3.75Å; P353-L358 HydrophobicContact CG-CG 4.09Å; P355-L358 WeakPolarHBondContact O-CA 3.28Å; P355-L358 WeakPolarHBondContact O-CB 3.28Å; P355-L358 PolarHBondContact O-N 3Å; K356-L358 VanDerWaalsContact C-N 3.25Å; K356-L358 PolarHBondContact O-N 3.41Å; L358-T360 VanDerWaalsContact C-N 3.31Å; L358-T360 PolarHBondContact O-N 2.84Å; L358-A361 WeakPolarHBondContact O-CB 3.44Å; L358-A361 PolarHBondContact O-N 3.04Å; L358-A361 VanDerWaalsContact O-N 3.17Å; L358-A364 HydrophobicContact CD2-CB 4.08Å; L358-I368 HydrophobicContact CD1-CG1 4.45Å; L358-I368 HydrophobicContact CD1-CG2 4.47Å; L358-I368 HydrophobicContact CD2-CG1 4.2Å
359	E	89.9	Confident	94.7	Very high	157 Å²	157	63.9 Å²	63.9	73%	0.734	32%	0.321	S	S	*	.	H	α-helix	trans	-58.5	-40.5	-178.1	-74.1	170	-163.7	0	0	112.9	P355	P355-E359 PolarHBondContact O-N 3.49Å; P355-E359 VanDerWaalsContact O-N 3.16Å
360	T	90.4	Very high	94.4	Very high	98 Å²	98	69.6 Å²	69.6	60%	0.601	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.5	-179.5	62.6	0	0	0	0	113.3	L358 K362	L358-T360 VanDerWaalsContact C-N 3.31Å; L358-T360 PolarHBondContact O-N 2.84Å; T360-K362 PolarHBondContact O-N 3.26Å
361	A	95	Very high	94	Very high	12 Å²	12	75.2 Å²	75.2	10%	0.099	38%	0.384	C	S	.	.			trans	-82.4	102.1	-173.6	0	0	0	0	0	111.8	L307 T309 L358 R363 A364	L307-A361 HydrophobicContact CB-CB 3.96Å; L307-A361 CarbonylContact O-C 3.57Å; T309-A361 VanDerWaalsContact CG2-CA 3.44Å; T309-A361 HydrophobicContact CG2-CB 3.6Å; L358-A361 WeakPolarHBondContact O-CB 3.44Å; L358-A361 PolarHBondContact O-N 3.04Å; L358-A361 VanDerWaalsContact O-N 3.17Å; A361-R363 PolarHBondContact O-N 3.43Å; A361-A364 HydrophobicContact CB-CB 3.76Å; A361-A364 WeakPolarHBondContact O-CB 3.32Å; A361-A364 PolarHBondContact O-N 3.05Å; A361-A364 VanDerWaalsContact O-N 3.13Å
362	K	96.1	Very high	93.8	Very high	195 Å²	195	76.6 Å²	76.6	85%	0.848	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.3	-179.7	-62.4	179.9	-178.3	-179.9	0	113.4	L307 G308 T360	L307-K362 PolarHBondContact O-N 3.47Å; G308-K362 WeakPolarHBondContact O-CG 3.43Å; T360-K362 PolarHBondContact O-N 3.26Å
363	R	96.6	Very high	93.7	Very high	78 Å²	78	77 Å²	77	29%	0.294	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	6.4	-176.8	-53.3	179.7	67.1	-152.9	5	113.7	I306 L307 E339 A361 R365 T366 F367	I306-R363 PolarHBondContact O-NH1 3.44Å; L307-R363 WeakPolarHBondContact O-CA 3.33Å; L307-R363 WeakPolarHBondContact O-CB 3Å; L307-R363 PolarHBondContact O-N 3.22Å; E339-R363 IonicContact OE1-CZ 2.69Å; E339-R363 IonicContact OE1-NH2 3.89Å; E339-R363 PolarHBondContact OE1-NH2 3.13Å; E339-R363 IonicContact OE2-CZ 3.82Å; E339-R363 VanDerWaalsContact OE2-CZ 3.27Å; E339-R363 IonicContact OE2-NH1 2.61Å; E339-R363 PolarHBondContact OE2-NH1 2.86Å; E339-R363 IonicContact OE2-NH2 3.16Å; E339-R363 PolarHBondContact OE2-NH2 2.89Å; A361-R363 PolarHBondContact O-N 3.43Å; R363-R365 PolarHBondContact O-N 3.16Å; R363-R365 VanDerWaalsContact O-N 3.15Å; R363-T366 WeakPolarHBondContact O-CB 3.47Å; R363-T366 PolarHBondContact O-N 3.37Å; R363-T366 PolarHBondContact O-OG1 3.19Å; R363-F367 HydrophobicContact CB-CE2 4.11Å; R363-F367 WeakPolarHBondContact O-CD2 3.43Å
364	A	96.2	Very high	93.8	Very high	13 Å²	13	76.8 Å²	76.8	11%	0.107	40%	0.395	C	S	.	.	H	α-helix	trans	-51.8	-42.1	-177.4	0	0	0	0	0	113.2	L358 A361 T366 F367 I368	L358-A364 HydrophobicContact CD2-CB 4.08Å; A361-A364 HydrophobicContact CB-CB 3.76Å; A361-A364 WeakPolarHBondContact O-CB 3.32Å; A361-A364 PolarHBondContact O-N 3.05Å; A361-A364 VanDerWaalsContact O-N 3.13Å; A364-T366 PolarHBondContact O-N 3.25Å; A364-T366 VanDerWaalsContact O-N 3.09Å; A364-F367 PolarHBondContact O-N 2.73Å; A364-I368 PolarHBondContact O-N 3.03Å
365	R	95.8	Very high	93.9	Very high	221 Å²	221	80.9 Å²	80.9	83%	0.834	40%	0.404	S	S	*	.	H	α-helix	trans	-61.9	-19.1	-179.6	-65.1	-176.9	-178.4	177.5	0.8	114.2	R363 F367 R375	R363-R365 PolarHBondContact O-N 3.16Å; R363-R365 VanDerWaalsContact O-N 3.15Å; R365-F367 VanDerWaalsContact C-N 3.29Å; R365-R375 PolarHBondContact O-NE 2.89Å; R365-R375 PolarHBondContact O-NH2 3.22Å; R365-R375 VanDerWaalsContact O-NH2 3.11Å
366	T	96.8	Very high	94.2	Very high	66 Å²	66	78.3 Å²	78.3	41%	0.405	38%	0.381	S	S	.	.	H	α-helix	trans	-69.1	-31.3	174.2	-44.2	0	0	0	0	111.4	R363 A364 R375	R363-T366 WeakPolarHBondContact O-CB 3.47Å; R363-T366 PolarHBondContact O-N 3.37Å; R363-T366 PolarHBondContact O-OG1 3.19Å; A364-T366 PolarHBondContact O-N 3.25Å; A364-T366 VanDerWaalsContact O-N 3.09Å; T366-R375 VanDerWaalsContact O-CD 3.23Å; T366-R375 WeakPolarHBondContact O-CD 3.34Å
367	F	97.2	Very high	94.6	Very high	9 Å²	9	74 Å²	74	4%	0.039	36%	0.364	C	S	.	.	H	α-helix	trans	-116.7	-27.2	-169.4	-52.5	-74.8	0	0	0	113.6	I306 L307 E339 N340 L343 R363 A364 R365 R375	I306-F367 HydrophobicContact CG2-CE1 4.04Å; I306-F367 HydrophobicContact CG2-CE2 3.87Å; I306-F367 HydrophobicContact CG2-CZ 3.52Å; I306-F367 WeakPolarHBondContact O-CE2 3.3Å; L307-F367 HydrophobicContact CD2-CD2 3.98Å; E339-F367 HydrophobicContact CG-CE1 4.28Å; E339-F367 HydrophobicContact CG-CZ 4.35Å; N340-F367 HydrophobicContact CB-CD1 4.49Å; N340-F367 HydrophobicContact CB-CE1 4.38Å; N340-F367 WeakPolarHBondContact OD1-CD1 3.46Å; N340-F367 WeakPolarHBondContact OD1-CE1 3.49Å; L343-F367 HydrophobicContact CB-CD1 4.49Å; L343-F367 HydrophobicContact CD2-CB 3.42Å; L343-F367 VanDerWaalsContact CD2-CB 3.42Å; L343-F367 HydrophobicContact CD2-CD1 3.81Å; L343-F367 HydrophobicContact CD2-CD2 3.88Å; L343-F367 HydrophobicContact CD2-CG 3.42Å; L343-F367 VanDerWaalsContact CD2-CG 3.42Å; R363-F367 HydrophobicContact CB-CE2 4.11Å; R363-F367 WeakPolarHBondContact O-CD2 3.43Å; A364-F367 PolarHBondContact O-N 2.73Å; R365-F367 VanDerWaalsContact C-N 3.29Å; F367-R375 WeakPolarHBondContact O-CB 3.15Å; F367-R375 WeakPolarHBondContact O-CG 3.46Å; F367-R375 PolarHBondContact O-N 2.98Å
368	I	97	Very high	94.9	Very high	8 Å²	8	77.4 Å²	77.4	4%	0.041	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-118.8	136.8	-177.2	-48.6	-59.9	0	0	0	108.6	I347 M352 L358 A364 Y373 P374 R375	I347-I368 HydrophobicContact CD1-CD1 4.16Å; M352-I368 HydrophobicContact CE-CD1 3.93Å; L358-I368 HydrophobicContact CD1-CG1 4.45Å; L358-I368 HydrophobicContact CD1-CG2 4.47Å; L358-I368 HydrophobicContact CD2-CG1 4.2Å; A364-I368 PolarHBondContact O-N 3.03Å; I368-Y373 WeakPolarHBondContact CA-O 3.46Å; I368-P374 HydrophobicContact CD1-CB 4.23Å; I368-R375 PolarHBondContact O-NE 3.3Å
369	T	95.4	Very high	95.1	Very high	41 Å²	41	77.7 Å²	77.7	25%	0.252	39%	0.393	S	S	.	.			trans	-72.4	165.3	175.3	64.5	0	0	0	0	111	K371 G372 Y373 R375	T369-K371 PolarHBondContact O-N 3.17Å; T369-G372 PolarHBondContact O-N 2.97Å; T369-Y373 WeakPolarHBondContact CG2-O 3.45Å; T369-Y373 PolarHBondContact N-O 2.92Å; T369-Y373 WeakPolarHBondContact OG1-CB 3.07Å; T369-Y373 PolarHBondContact OG1-N 3.17Å; T369-Y373 PolarHBondContact OG1-O 3.07Å; T369-R375 HydrophobicContact CG2-CG 3.67Å
370	S	91.9	Very high	95.3	Very high	128 Å²	128	73.5 Å²	73.5	90%	0.895	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.3	174.6	50.7	0	0	0	0	113.7	G372	S370-G372 VanDerWaalsContact C-N 3.26Å; S370-G372 PolarHBondContact O-N 3.21Å
371	K	91.6	Very high	95.5	Very high	161 Å²	161	73.3 Å²	73.3	70%	0.7	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	2.8	175.6	-62	-174.7	179.1	-176.8	0	113.3	T369 Y373	T369-K371 PolarHBondContact O-N 3.17Å; K371-Y373 HydrophobicContact CB-CD2 3.68Å; K371-Y373 HydrophobicContact CB-CE2 3.52Å; K371-Y373 HydrophobicContact CD-CD2 4.49Å; K371-Y373 HydrophobicContact CD-CE2 3.98Å; K371-Y373 HydrophobicContact CG-CE2 4.41Å
372	G	92.7	Very high	95.4	Very high	36 Å²	36	76.4 Å²	76.4	37%	0.371	39%	0.394	S	S	.	.	S	Bend	trans	84.9	1.6	-179.8	0	0	0	0	0	115	M352 T369 S370	M352-G372 WeakPolarHBondContact CE-O 3.18Å; T369-G372 PolarHBondContact O-N 2.97Å; S370-G372 VanDerWaalsContact C-N 3.26Å; S370-G372 PolarHBondContact O-N 3.21Å
373	Y	95.6	Very high	95.3	Very high	72 Å²	72	74 Å²	74	28%	0.282	40%	0.398	S	S	.	.			trans	-83.2	145	178	-51.3	-52	0	0	0	112.1	I368 T369 K371 A379 V387 L389	I368-Y373 WeakPolarHBondContact CA-O 3.46Å; T369-Y373 WeakPolarHBondContact CG2-O 3.45Å; T369-Y373 PolarHBondContact N-O 2.92Å; T369-Y373 WeakPolarHBondContact OG1-CB 3.07Å; T369-Y373 PolarHBondContact OG1-N 3.17Å; T369-Y373 PolarHBondContact OG1-O 3.07Å; K371-Y373 HydrophobicContact CB-CD2 3.68Å; K371-Y373 HydrophobicContact CB-CE2 3.52Å; K371-Y373 HydrophobicContact CD-CD2 4.49Å; K371-Y373 HydrophobicContact CD-CE2 3.98Å; K371-Y373 HydrophobicContact CG-CE2 4.41Å; Y373-A379 HydrophobicContact CD2-CB 3.95Å; Y373-A379 HydrophobicContact CE2-CB 4.35Å; Y373-A379 HydrophobicContact CG-CB 4.32Å; Y373-V387 HydrophobicContact CE1-CG1 4.18Å; Y373-V387 HydrophobicContact CE2-CG1 4.3Å; Y373-L389 HydrophobicContact CD1-CD1 4.34Å; Y373-L389 HydrophobicContact CD1-CD2 3.92Å; Y373-L389 HydrophobicContact CG-CD2 4.06Å
374	P	97.2	Very high	95.2	Very high	2 Å²	2	76.2 Å²	76.2	1%	0.013	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-70.1	133.2	175.4	31.4	-33.7	0	0	0	110.3	I347 M352 I368 Y376 C377 L389 P403	I347-P374 HydrophobicContact CD1-CB 4.08Å; M352-P374 HydrophobicContact CE-CB 4.43Å; M352-P374 HydrophobicContact CE-CG 4.45Å; M352-P374 HydrophobicContact SD-CB 4.11Å; M352-P374 HydrophobicContact SD-CG 3.82Å; I368-P374 HydrophobicContact CD1-CB 4.23Å; P374-Y376 HydrophobicContact CB-CD1 3.71Å; P374-Y376 HydrophobicContact CB-CE1 3.57Å; P374-Y376 HydrophobicContact CG-CD1 4.34Å; P374-Y376 HydrophobicContact CG-CE1 3.89Å; P374-Y376 PolarHBondContact O-N 3.34Å; P374-C377 HydrophobicContact CG-CB 4.04Å; P374-C377 PolarHBondContact O-N 2.89Å; P374-L389 HydrophobicContact CG-CD1 4.4Å; P374-P403 HydrophobicContact CG-CG 4.05Å
375	R	97	Very high	94.9	Very high	139 Å²	139	78.6 Å²	78.6	53%	0.525	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.5	-174.8	-73.5	178.5	178.2	-81.5	5.8	114.4	R365 T366 F367 I368 T369 C377	R365-R375 PolarHBondContact O-NE 2.89Å; R365-R375 PolarHBondContact O-NH2 3.22Å; R365-R375 VanDerWaalsContact O-NH2 3.11Å; T366-R375 VanDerWaalsContact O-CD 3.23Å; T366-R375 WeakPolarHBondContact O-CD 3.34Å; F367-R375 WeakPolarHBondContact O-CB 3.15Å; F367-R375 WeakPolarHBondContact O-CG 3.46Å; F367-R375 PolarHBondContact O-N 2.98Å; I368-R375 PolarHBondContact O-NE 3.3Å; T369-R375 HydrophobicContact CG2-CG 3.67Å; R375-C377 VanDerWaalsContact C-N 3.25Å
376	Y	96.9	Very high	94.8	Very high	45 Å²	45	70.4 Å²	70.4	18%	0.176	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.7	173.2	82.4	-91.2	0	0	0	112	A344 I347 P374 A392 R400 G401	A344-Y376 HydrophobicContact CB-CD1 3.56Å; A344-Y376 HydrophobicContact CB-CD2 3.93Å; A344-Y376 HydrophobicContact CB-CE1 3.91Å; A344-Y376 HydrophobicContact CB-CE2 4.24Å; A344-Y376 HydrophobicContact CB-CG 3.59Å; I347-Y376 HydrophobicContact CB-CE1 4.12Å; I347-Y376 HydrophobicContact CD1-CE1 4.28Å; I347-Y376 HydrophobicContact CG2-CE1 3.99Å; P374-Y376 HydrophobicContact CB-CD1 3.71Å; P374-Y376 HydrophobicContact CB-CE1 3.57Å; P374-Y376 HydrophobicContact CG-CD1 4.34Å; P374-Y376 HydrophobicContact CG-CE1 3.89Å; P374-Y376 PolarHBondContact O-N 3.34Å; Y376-A392 WeakPolarHBondContact O-CB 3.28Å; Y376-R400 HydrophobicContact CD2-CB 4.13Å; Y376-R400 HydrophobicContact CE2-CB 3.99Å; Y376-G401 WeakPolarHBondContact CE2-O 3.32Å; Y376-G401 PolarHBondContact OH-O 3.47Å
377	C	97.2	Very high	94.6	Very high	16 Å²	16	69.7 Å²	69.7	11%	0.108	41%	0.414	C	S	.	.	S	Bend	trans	-92	153	176.5	-69	0	0	0	0	111.8	P374 R375 L389 A390	P374-C377 HydrophobicContact CG-CB 4.04Å; P374-C377 PolarHBondContact O-N 2.89Å; R375-C377 VanDerWaalsContact C-N 3.25Å; C377-L389 HydrophobicContact CB-CB 4.29Å; C377-L389 HydrophobicContact CB-CD2 4.38Å; C377-A390 CarbonylContact C-O 3.56Å; C377-A390 WeakPolarHBondContact CA-O 3.29Å; C377-A390 VanDerWaalsContact CB-O 3.3Å; C377-A390 WeakPolarHBondContact CB-O 3.42Å
378	T	95.1	Very high	94.5	Very high	87 Å²	87	72.6 Å²	72.6	53%	0.534	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.7	163	-55.4	0	0	0	0	108.7	L389 A390	T378-L389 WeakPolarHBondContact O-CA 3.37Å; T378-A390 PolarHBondContact N-O 3.43Å; T378-A390 PolarHBondContact O-N 3.46Å
379	A	94.8	Very high	94.4	Very high	48 Å²	48	74 Å²	74	40%	0.397	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120	176.8	0	0	0	0	0	110	Y373 V387 L389	Y373-A379 HydrophobicContact CD2-CB 3.95Å; Y373-A379 HydrophobicContact CE2-CB 4.35Å; Y373-A379 HydrophobicContact CG-CB 4.32Å; A379-V387 HydrophobicContact CB-CG1 3.95Å; A379-L389 HydrophobicContact CB-CD2 3.65Å
380	T	94.9	Very high	94.5	Very high	69 Å²	69	74.3 Å²	74.3	42%	0.423	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.2	178.9	-55.4	0	0	0	0	109.4	V387 V388	T380-V387 WeakPolarHBondContact O-CA 3.47Å; T380-V388 PolarHBondContact N-O 3.43Å; T380-V388 PolarHBondContact O-N 3.16Å
381	S	94.2	Very high	94.6	Very high	93 Å²	93	69.3 Å²	69.3	65%	0.65	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.2	171.5	-66.7	0	0	0	0	109.9
382	M	94.2	Very high	94.7	Very high	77 Å²	77	63.1 Å²	63.1	38%	0.379	39%	0.394	S	S	.	.			trans	-90.4	160.2	176.9	-65.6	-58.8	-170.3	0	0	110.9	D384 G385 S386 V388	M382-D384 WeakPolarHBondContact CB-OD1 3.22Å; M382-D384 PolarHBondContact O-N 3.43Å; M382-G385 PolarHBondContact O-N 2.98Å; M382-S386 WeakPolarHBondContact CB-OG 3.12Å; M382-S386 PolarHBondContact N-O 2.82Å; M382-V388 HydrophobicContact CE-CB 3.81Å; M382-V388 HydrophobicContact CE-CG1 4.45Å; M382-V388 HydrophobicContact CE-CG2 3.45Å; M382-V388 VanDerWaalsContact CE-CG2 3.45Å; M382-V388 HydrophobicContact CG-CG2 3.91Å
383	P	94.1	Very high	94.8	Very high	144 Å²	144	69.4 Å²	69.4	94%	0.935	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.9	178.9	-25.5	35.4	0	0	0	114.6	G385	P383-G385 PolarHBondContact O-N 3.18Å
384	D	93.7	Very high	94.8	Very high	126 Å²	126	66.7 Å²	66.7	67%	0.674	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	2.6	176.2	67.8	-3	0	0	0	113.7	M382 S386	M382-D384 WeakPolarHBondContact CB-OD1 3.22Å; M382-D384 PolarHBondContact O-N 3.43Å; D384-S386 VanDerWaalsContact C-N 3.28Å; D384-S386 PolarHBondContact O-N 3.37Å; D384-S386 WeakPolarHBondContact OD1-CB 3.4Å; D384-S386 PolarHBondContact OD1-N 2.63Å; D384-S386 PolarHBondContact OD1-OG 2.88Å; D384-S386 PolarHBondContact OD2-OG 3.45Å
385	G	90	Very high	94.7	Very high	63 Å²	63	75 Å²	75	65%	0.649	43%	0.434	S	S	*	.	S	Bend	trans	83	-4.4	-177.7	0	0	0	0	0	114.5	M382 P383	M382-G385 PolarHBondContact O-N 2.98Å; P383-G385 PolarHBondContact O-N 3.18Å
386	S	92.6	Very high	94.6	Very high	49 Å²	49	77.8 Å²	77.8	34%	0.343	45%	0.445	S	S	.	.			trans	-71.3	157.8	173.4	73	0	0	0	0	111.4	M382 D384	M382-S386 WeakPolarHBondContact CB-OG 3.12Å; M382-S386 PolarHBondContact N-O 2.82Å; D384-S386 VanDerWaalsContact C-N 3.28Å; D384-S386 PolarHBondContact O-N 3.37Å; D384-S386 WeakPolarHBondContact OD1-CB 3.4Å; D384-S386 PolarHBondContact OD1-N 2.63Å; D384-S386 PolarHBondContact OD1-OG 2.88Å; D384-S386 PolarHBondContact OD2-OG 3.45Å
387	V	93.4	Very high	94.5	Very high	50 Å²	50	77.2 Å²	77.2	30%	0.303	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.8	176.1	176.6	0	0	0	0	109	Y373 A379 T380 L389	Y373-V387 HydrophobicContact CE1-CG1 4.18Å; Y373-V387 HydrophobicContact CE2-CG1 4.3Å; A379-V387 HydrophobicContact CB-CG1 3.95Å; T380-V387 WeakPolarHBondContact O-CA 3.47Å; V387-L389 HydrophobicContact CG1-CD2 4.39Å
388	V	94.4	Very high	94.4	Very high	70 Å²	70	81.7 Å²	81.7	42%	0.424	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130	174.3	178.8	0	0	0	0	109.1	T380 M382	T380-V388 PolarHBondContact N-O 3.43Å; T380-V388 PolarHBondContact O-N 3.16Å; M382-V388 HydrophobicContact CE-CB 3.81Å; M382-V388 HydrophobicContact CE-CG1 4.45Å; M382-V388 HydrophobicContact CE-CG2 3.45Å; M382-V388 VanDerWaalsContact CE-CG2 3.45Å; M382-V388 HydrophobicContact CG-CG2 3.91Å
389	L	96.4	Very high	94.5	Very high	38 Å²	38	82.4 Å²	82.4	20%	0.199	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.7	173.8	-62.3	-178.5	0	0	0	109.6	Y373 P374 C377 T378 A379 V387 P402 P403	Y373-L389 HydrophobicContact CD1-CD1 4.34Å; Y373-L389 HydrophobicContact CD1-CD2 3.92Å; Y373-L389 HydrophobicContact CG-CD2 4.06Å; P374-L389 HydrophobicContact CG-CD1 4.4Å; C377-L389 HydrophobicContact CB-CB 4.29Å; C377-L389 HydrophobicContact CB-CD2 4.38Å; T378-L389 WeakPolarHBondContact O-CA 3.37Å; A379-L389 HydrophobicContact CB-CD2 3.65Å; V387-L389 HydrophobicContact CG1-CD2 4.39Å; L389-P402 HydrophobicContact CB-CB 4.2Å; L389-P402 WeakPolarHBondContact O-CB 3.47Å; L389-P403 HydrophobicContact CD1-CG 4.02Å
390	A	95.8	Very high	94.6	Very high	48 Å²	48	81 Å²	81	40%	0.397	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.6	168.2	0	0	0	0	0	109.6	C377 T378	C377-A390 CarbonylContact C-O 3.56Å; C377-A390 WeakPolarHBondContact CA-O 3.29Å; C377-A390 VanDerWaalsContact CB-O 3.3Å; C377-A390 WeakPolarHBondContact CB-O 3.42Å; T378-A390 PolarHBondContact N-O 3.43Å; T378-A390 PolarHBondContact O-N 3.46Å
391	G	94.4	Very high	94.8	Very high	23 Å²	23	78.3 Å²	78.3	24%	0.237	44%	0.438	C	S	.	.			trans	-63.2	175.9	172.3	0	0	0	0	0	113.2	R400	G391-R400 CarbonylContact C-O 3.49Å; G391-R400 WeakPolarHBondContact CA-O 3.34Å
392	A	94.4	Very high	95	Very high	31 Å²	31	76 Å²	76	26%	0.256	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	167.9	178.4	0	0	0	0	0	112.2	Y376 R400	Y376-A392 WeakPolarHBondContact O-CB 3.28Å; A392-R400 PolarHBondContact N-O 2.86Å; A392-R400 PolarHBondContact O-N 2.91Å
393	R	95.6	Very high	95.2	Very high	168 Å²	168	73.9 Å²	73.9	63%	0.634	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	139.6	174.2	-67.3	-175.8	-179	-87.8	1.4	110.7	G397 K398 M399	R393-G397 PolarHBondContact NH1-O 3.17Å; R393-K398 CarbonylContact C-O 3.58Å; R393-K398 VanDerWaalsContact CA-O 3.32Å; R393-K398 WeakPolarHBondContact CA-O 3.24Å; R393-M399 HydrophobicContact CG-CE 4.02Å; R393-M399 HydrophobicContact CG-SD 4.26Å
394	S	95.2	Very high	95.3	Very high	15 Å²	15	70 Å²	70	11%	0.105	39%	0.393	C	S	.	.			trans	-63.8	172.7	167.1	75.3	0	0	0	0	111.2	E337 D341 R396 G397 K398	E337-S394 VanDerWaalsContact CD-OG 3.24Å; E337-S394 VanDerWaalsContact OE1-CB 3.3Å; E337-S394 WeakPolarHBondContact OE1-CB 3.44Å; E337-S394 PolarHBondContact OE1-OG 3.44Å; E337-S394 WeakPolarHBondContact OE2-CB 3.45Å; E337-S394 PolarHBondContact OE2-OG 2.88Å; D341-S394 WeakPolarHBondContact OD1-CB 3.38Å; S394-R396 PolarHBondContact O-N 3.17Å; S394-R396 PolarHBondContact OG-N 2.89Å; S394-G397 WeakPolarHBondContact O-CA 3.35Å; S394-G397 PolarHBondContact O-N 3.3Å; S394-G397 PolarHBondContact OG-N 3.16Å; S394-K398 PolarHBondContact N-O 3.48Å; S394-K398 WeakPolarHBondContact OG-CB 3.17Å; S394-K398 PolarHBondContact OG-N 3.34Å
395	K	94.3	Very high	95.6	Very high	175 Å²	175	66.9 Å²	66.9	76%	0.761	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.2	177	-70.4	174.8	177.6	162.7	0	112.6	E337 D338 G397	E337-K395 PolarHBondContact OE2-N 2.83Å; D338-K395 WeakPolarHBondContact OD2-CE 3.22Å; D338-K395 IonicContact OD2-NZ 3.96Å; D338-K395 PolarHBondContact OD2-NZ 3.44Å; K395-G397 VanDerWaalsContact C-N 3.31Å
396	R	95.3	Very high	95.9	Very high	199 Å²	199	66.7 Å²	66.7	75%	0.751	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	13.6	173.9	-54.3	173.7	-173.3	-174.6	0.7	113.6	E337 S394	E337-R396 HydrophobicContact CG-CG 4.35Å; E337-R396 VanDerWaalsContact OE1-CB 3.32Å; E337-R396 WeakPolarHBondContact OE1-CB 3.19Å; E337-R396 WeakPolarHBondContact OE2-CG 3.35Å; E337-R396 PolarHBondContact OE2-N 3.24Å; S394-R396 PolarHBondContact O-N 3.17Å; S394-R396 PolarHBondContact OG-N 2.89Å
397	G	95.1	Very high	96.2	Very high	32 Å²	32	66.7 Å²	66.7	33%	0.33	36%	0.361	S	S	.	.	S	Bend	trans	83.3	6.8	172.9	0	0	0	0	0	115.8	R393 S394 K395	R393-G397 PolarHBondContact NH1-O 3.17Å; S394-G397 WeakPolarHBondContact O-CA 3.35Å; S394-G397 PolarHBondContact O-N 3.3Å; S394-G397 PolarHBondContact OG-N 3.16Å; K395-G397 VanDerWaalsContact C-N 3.31Å
398	K	95.7	Very high	96.4	Very high	110 Å²	110	65.9 Å²	65.9	48%	0.478	35%	0.353	S	S	.	.			trans	-76.9	130.4	178.5	-65.2	-175.2	176.9	-177.5	0	110.5	R393 S394	R393-K398 CarbonylContact C-O 3.58Å; R393-K398 VanDerWaalsContact CA-O 3.32Å; R393-K398 WeakPolarHBondContact CA-O 3.24Å; S394-K398 PolarHBondContact N-O 3.48Å; S394-K398 WeakPolarHBondContact OG-CB 3.17Å; S394-K398 PolarHBondContact OG-N 3.34Å
399	M	96.5	Very high	96.5	Very high	102 Å²	102	65.4 Å²	65.4	50%	0.502	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137.6	177.4	-169.3	61.6	75.2	0	0	110.9	R393	R393-M399 HydrophobicContact CG-CE 4.02Å; R393-M399 HydrophobicContact CG-SD 4.26Å
400	R	97.3	Very high	96.6	Very high	19 Å²	19	68 Å²	68	7%	0.072	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.6	166.5	-51.5	-56.8	178.1	-153.7	9	107.2	D341 A344 Y376 G391 A392	D341-R400 IonicContact OD1-CZ 3.11Å; D341-R400 IonicContact OD1-NE 3.91Å; D341-R400 PolarHBondContact OD1-NE 3.38Å; D341-R400 IonicContact OD1-NH2 3.61Å; D341-R400 PolarHBondContact OD1-NH2 2.83Å; D341-R400 IonicContact OD2-CZ 3.47Å; D341-R400 IonicContact OD2-NE 2.67Å; D341-R400 IonicContact OD2-NH2 3.45Å; D341-R400 PolarHBondContact OD2-NH2 3.17Å; A344-R400 HydrophobicContact CB-CG 4.41Å; Y376-R400 HydrophobicContact CD2-CB 4.13Å; Y376-R400 HydrophobicContact CE2-CB 3.99Å; G391-R400 CarbonylContact C-O 3.49Å; G391-R400 WeakPolarHBondContact CA-O 3.34Å; A392-R400 PolarHBondContact N-O 2.86Å; A392-R400 PolarHBondContact O-N 2.91Å
401	G	97.7	Very high	96.7	Very high	12 Å²	12	66 Å²	66	12%	0.124	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-71.1	171.2	175.9	0	0	0	0	0	112.7	E348 Y376 S405	E348-G401 PolarHBondContact OE1-N 3.12Å; Y376-G401 WeakPolarHBondContact CE2-O 3.32Å; Y376-G401 PolarHBondContact OH-O 3.47Å; G401-S405 VanDerWaalsContact C-OG 3.31Å; G401-S405 VanDerWaalsContact CA-OG 3.29Å; G401-S405 WeakPolarHBondContact CA-OG 3.29Å
402	P	98.1	Very high	96.8	Very high	44 Å²	44	65 Å²	65	29%	0.286	34%	0.343	S	S	.	.	S	Bend	trans	-65.5	173.6	177.8	27.5	-32.9	0	0	0	112.7	L389 A404 S405	L389-P402 HydrophobicContact CB-CB 4.2Å; L389-P402 WeakPolarHBondContact O-CB 3.47Å; P402-A404 PolarHBondContact O-N 3.43Å; P402-S405 WeakPolarHBondContact CD-OG 3.22Å; P402-S405 VanDerWaalsContact O-CB 3.28Å; P402-S405 WeakPolarHBondContact O-CB 3.44Å; P402-S405 PolarHBondContact O-N 3.23Å; P402-S405 VanDerWaalsContact O-N 3.1Å; P402-S405 PolarHBondContact O-OG 2.92Å
403	P	98.4	Very high	96.9	Very high	33 Å²	33	68.3 Å²	68.3	21%	0.214	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	133.1	-179.7	-27	33.9	0	0	0	113.7	I347 M352 P374 L389 S405	I347-P403 HydrophobicContact CG2-CB 3.71Å; I347-P403 HydrophobicContact CG2-CG 3.62Å; I347-P403 WeakPolarHBondContact O-CA 3.3Å; M352-P403 HydrophobicContact CG-CB 3.97Å; M352-P403 HydrophobicContact CG-CG 3.94Å; M352-P403 HydrophobicContact SD-CB 4.23Å; M352-P403 HydrophobicContact SD-CG 3.7Å; P374-P403 HydrophobicContact CG-CG 4.05Å; L389-P403 HydrophobicContact CD1-CG 4.02Å; P403-S405 PolarHBondContact O-N 3.31Å; P403-S405 VanDerWaalsContact O-N 3.17Å
404	A	98	Very high	96.9	Very high	63 Å²	63	66.6 Å²	66.6	52%	0.521	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	17.6	-179	0	0	0	0	0	115.8	I347 E348 P402	I347-A404 PolarHBondContact O-N 3.38Å; E348-A404 CarbonylContact O-C 3.54Å; E348-A404 VanDerWaalsContact O-C 3.26Å; E348-A404 WeakPolarHBondContact O-CA 3.36Å; E348-A404 PolarHBondContact O-N 2.68Å; P402-A404 PolarHBondContact O-N 3.43Å
405	S	98.2	Very high	96.9	Very high	60 Å²	60	69.2 Å²	69.2	42%	0.42	37%	0.366	S	S	.	.			trans	-75.9	-20.8	179.1	68.9	0	0	0	0	114.1	E348 G401 P402 P403	E348-S405 PolarHBondContact O-N 3.05Å; E348-S405 VanDerWaalsContact O-N 3.08Å; G401-S405 VanDerWaalsContact C-OG 3.31Å; G401-S405 VanDerWaalsContact CA-OG 3.29Å; G401-S405 WeakPolarHBondContact CA-OG 3.29Å; P402-S405 WeakPolarHBondContact CD-OG 3.22Å; P402-S405 VanDerWaalsContact O-CB 3.28Å; P402-S405 WeakPolarHBondContact O-CB 3.44Å; P402-S405 PolarHBondContact O-N 3.23Å; P402-S405 VanDerWaalsContact O-N 3.1Å; P402-S405 PolarHBondContact O-OG 2.92Å; P403-S405 PolarHBondContact O-N 3.31Å; P403-S405 VanDerWaalsContact O-N 3.17Å
406	R	97.9	Very high	96.8	Very high	59 Å²	59	62 Å²	62	22%	0.223	34%	0.342	C	S	.	.	S	Bend	trans	-92	113	178.5	-176.6	178.7	-176.9	-157.1	-1.3	110	L333 E348 L349 A411	L333-R406 PolarHBondContact O-NH1 3.19Å; E348-R406 HydrophobicContact CG-CB 3.79Å; E348-R406 PolarHBondContact O-N 3.3Å; L349-R406 HydrophobicContact CD1-CG 4.48Å; L349-R406 WeakPolarHBondContact CD1-O 3.35Å; R406-A411 HydrophobicContact CG-CB 4.46Å
407	S	97.9	Very high	96.7	Very high	50 Å²	50	54.3 Å²	54.3	35%	0.35	32%	0.316	S	S	.	.			trans	-69.9	151.2	177.6	74.4	0	0	0	0	112.6	S409 T410 A411	S407-S409 VanDerWaalsContact C-N 3.27Å; S407-S409 PolarHBondContact O-N 3.08Å; S407-S409 PolarHBondContact OG-OG 3.47Å; S407-T410 PolarHBondContact O-N 3.33Å; S407-T410 WeakPolarHBondContact OG-CB 3.38Å; S407-T410 PolarHBondContact OG-N 3.09Å; S407-T410 VanDerWaalsContact OG-N 3.16Å; S407-T410 PolarHBondContact OG-OG1 3.39Å; S407-A411 WeakPolarHBondContact O-CB 3.48Å; S407-A411 PolarHBondContact O-N 2.98Å
408	W	98	Very high	96.8	Very high	33 Å²	33	61 Å²	61	13%	0.125	34%	0.338	C	S	.	.	H	α-helix	trans	-60	-36.1	172.5	-75.8	91.7	0	0	0	113.1	L349 L350 A411 L412 V421 L424 K425 L428	L349-W408 HydrophobicContact CD1-CD2 4.31Å; L349-W408 HydrophobicContact CD2-CH2 4.22Å; L349-W408 HydrophobicContact CD2-CZ2 4.47Å; L349-W408 HydrophobicContact CD2-CZ3 4.4Å; L349-W408 HydrophobicContact CG-CZ2 4.4Å; L350-W408 HydrophobicContact CD2-CH2 4.1Å; L350-W408 HydrophobicContact CD2-CZ2 3.47Å; L350-W408 VanDerWaalsContact CD2-CZ2 3.47Å; W408-A411 PolarHBondContact O-N 2.89Å; W408-L412 HydrophobicContact CE3-CD1 4.23Å; W408-L412 HydrophobicContact CE3-CG 4.5Å; W408-L412 WeakPolarHBondContact O-CB 3.45Å; W408-L412 WeakPolarHBondContact O-CG 3.39Å; W408-L412 PolarHBondContact O-N 3.32Å; W408-V421 HydrophobicContact CB-CG1 4.09Å; W408-V421 HydrophobicContact CD2-CG1 4.16Å; W408-V421 HydrophobicContact CE3-CG1 4.44Å; W408-V421 HydrophobicContact CG-CG1 4Å; W408-L424 HydrophobicContact CH2-CB 4.2Å; W408-L424 HydrophobicContact CZ3-CB 3.87Å; W408-L424 HydrophobicContact CZ3-CD1 4.09Å; W408-K425 VanDerWaalsContact CD1-CE 3.41Å; W408-K425 HydrophobicContact CD2-CG 4.42Å; W408-K425 HydrophobicContact CH2-CG 4.13Å; W408-K425 HydrophobicContact CZ2-CB 4.47Å; W408-K425 HydrophobicContact CZ2-CG 3.46Å; W408-K425 VanDerWaalsContact CZ2-CG 3.46Å; W408-L428 HydrophobicContact CH2-CD1 3.81Å; W408-L428 HydrophobicContact CZ3-CD1 4.36Å
409	S	97.3	Very high	96.9	Very high	60 Å²	60	58 Å²	58	42%	0.42	33%	0.327	S	S	.	.	H	α-helix	trans	-59.5	-46.8	175.6	55.6	0	0	0	0	111.2	S407 L412 K413 N414	S407-S409 VanDerWaalsContact C-N 3.27Å; S407-S409 PolarHBondContact O-N 3.08Å; S407-S409 PolarHBondContact OG-OG 3.47Å; S409-L412 CarbonylContact O-C 3.59Å; S409-L412 PolarHBondContact O-N 2.86Å; S409-K413 PolarHBondContact O-N 2.79Å; S409-N414 WeakPolarHBondContact CB-OD1 3.42Å; S409-N414 PolarHBondContact O-N 3.48Å; S409-N414 PolarHBondContact O-OD1 2.86Å
410	T	97.1	Very high	97	Very high	93 Å²	93	53.1 Å²	53.1	57%	0.571	30%	0.303	S	S	*	.	H	α-helix	trans	-66.7	-44.5	175.5	-55.2	0	0	0	0	111.4	S407 L412 K413	S407-T410 PolarHBondContact O-N 3.33Å; S407-T410 WeakPolarHBondContact OG-CB 3.38Å; S407-T410 PolarHBondContact OG-N 3.09Å; S407-T410 VanDerWaalsContact OG-N 3.16Å; S407-T410 PolarHBondContact OG-OG1 3.39Å; T410-L412 PolarHBondContact O-N 3.16Å; T410-K413 PolarHBondContact O-N 3.47Å
411	A	97.7	Very high	97.1	Very high	6 Å²	6	53.4 Å²	53.4	5%	0.05	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-33.9	-179.4	0	0	0	0	0	112.8	L333 L349 R406 S407 W408	L333-A411 HydrophobicContact CD1-CB 3.91Å; L349-A411 HydrophobicContact CD1-CB 3.83Å; R406-A411 HydrophobicContact CG-CB 4.46Å; S407-A411 WeakPolarHBondContact O-CB 3.48Å; S407-A411 PolarHBondContact O-N 2.98Å; W408-A411 PolarHBondContact O-N 2.89Å
412	L	98.1	Very high	97.1	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	12.2	-179.9	-58.5	177.9	0	0	0	113.7	A325 T329 L333 W408 S409 T410 N414 M415 F420 V421 L424	A325-L412 HydrophobicContact CB-CD2 3.85Å; T329-L412 HydrophobicContact CG2-CB 4.44Å; T329-L412 HydrophobicContact CG2-CD2 4.28Å; L333-L412 HydrophobicContact CD1-CD2 4.44Å; W408-L412 HydrophobicContact CE3-CD1 4.23Å; W408-L412 HydrophobicContact CE3-CG 4.5Å; W408-L412 WeakPolarHBondContact O-CB 3.45Å; W408-L412 WeakPolarHBondContact O-CG 3.39Å; W408-L412 PolarHBondContact O-N 3.32Å; S409-L412 CarbonylContact O-C 3.59Å; S409-L412 PolarHBondContact O-N 2.86Å; T410-L412 PolarHBondContact O-N 3.16Å; L412-N414 PolarHBondContact O-N 3.3Å; L412-N414 VanDerWaalsContact O-N 3.13Å; L412-M415 VanDerWaalsContact O-CB 3.31Å; L412-M415 WeakPolarHBondContact O-CB 3.45Å; L412-M415 PolarHBondContact O-N 3.24Å; L412-F420 HydrophobicContact CD1-CD1 4.23Å; L412-F420 HydrophobicContact CD1-CE1 4.23Å; L412-F420 HydrophobicContact CD2-CE1 4.44Å; L412-V421 HydrophobicContact CD1-CG2 3.75Å; L412-L424 HydrophobicContact CD1-CD1 4Å; L412-L424 HydrophobicContact CD2-CD1 3.86Å
413	K	96.4	Very high	97.1	Very high	100 Å²	100	53.2 Å²	53.2	44%	0.435	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	34.5	-178.4	-55.2	179.3	179.1	175.4	0	114.1	T329 S409 T410 M415	T329-K413 PolarHBondContact O-NZ 2.91Å; S409-K413 PolarHBondContact O-N 2.79Å; T410-K413 PolarHBondContact O-N 3.47Å; K413-M415 HydrophobicContact CB-CG 4.18Å; K413-M415 HydrophobicContact CB-SD 4.22Å; K413-M415 WeakPolarHBondContact O-CG 3.49Å; K413-M415 PolarHBondContact O-N 3.38Å
414	N	94.6	Very high	97.2	Very high	132 Å²	132	51.7 Å²	51.7	71%	0.706	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	19.2	-174.3	-53.6	-47.4	0	0	0	114.9	S409 L412	S409-N414 WeakPolarHBondContact CB-OD1 3.42Å; S409-N414 PolarHBondContact O-N 3.48Å; S409-N414 PolarHBondContact O-OD1 2.86Å; L412-N414 PolarHBondContact O-N 3.3Å; L412-N414 VanDerWaalsContact O-N 3.13Å
415	M	94.9	Very high	97.2	Very high	69 Å²	69	53.6 Å²	53.6	34%	0.34	29%	0.287	S	S	.	.			trans	-92.2	-12.1	-176.9	-58.4	176.6	69.4	0	0	113.8	L328 L412 K413	L328-M415 HydrophobicContact CD1-CB 4Å; L328-M415 HydrophobicContact CD1-CE 4.35Å; L328-M415 HydrophobicContact CD2-CB 4.03Å; L328-M415 HydrophobicContact CG-CB 3.89Å; L328-M415 WeakPolarHBondContact O-CE 3.07Å; L412-M415 VanDerWaalsContact O-CB 3.31Å; L412-M415 WeakPolarHBondContact O-CB 3.45Å; L412-M415 PolarHBondContact O-N 3.24Å; K413-M415 HydrophobicContact CB-CG 4.18Å; K413-M415 HydrophobicContact CB-SD 4.22Å; K413-M415 WeakPolarHBondContact O-CG 3.49Å; K413-M415 PolarHBondContact O-N 3.38Å
416	G	91.9	Very high	97.2	Very high	25 Å²	25	56.7 Å²	56.7	26%	0.258	29%	0.29	S	S	.	.			trans	-92.9	133	-176.8	0	0	0	0	0	112.8
417	D	94.9	Very high	97.3	Very high	37 Å²	37	53.9 Å²	53.9	20%	0.198	28%	0.279	C	S	.	.			trans	-79.1	165.2	168.9	74.9	3.1	0	0	0	111.5	L234 L419 F420 V421 R449	L234-D417 HydrophobicContact CD1-CB 4.12Å; D417-L419 VanDerWaalsContact C-N 3.26Å; D417-L419 PolarHBondContact O-N 3.39Å; D417-L419 PolarHBondContact OD1-N 3.46Å; D417-F420 PolarHBondContact O-N 3.32Å; D417-F420 VanDerWaalsContact O-N 3.13Å; D417-F420 WeakPolarHBondContact OD1-CB 3.42Å; D417-F420 PolarHBondContact OD1-N 3.36Å; D417-V421 WeakPolarHBondContact O-CG2 3.36Å; D417-V421 PolarHBondContact O-N 3.03Å; D417-R449 IonicContact OD2-NH1 3.35Å; D417-R449 PolarHBondContact OD2-NH1 3.18Å
418	E	96.9	Very high	97.3	Very high	173 Å²	173	51.6 Å²	51.6	81%	0.808	26%	0.263	S	S	*	.	H	α-helix	trans	-55.9	-41	-176.9	-171.9	-173.3	170.7	0	0	112.5	V421 D422	E418-V421 PolarHBondContact O-N 3.37Å; E418-D422 PolarHBondContact O-N 3.09Å
419	L	97.6	Very high	97.3	Very high	46 Å²	46	52.5 Å²	52.5	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-68.7	-36.5	-179.8	-65	-179.9	0	0	0	112.3	D417 F423 H444 K445 W446	D417-L419 VanDerWaalsContact C-N 3.26Å; D417-L419 PolarHBondContact O-N 3.39Å; D417-L419 PolarHBondContact OD1-N 3.46Å; L419-F423 WeakPolarHBondContact O-CB 3.49Å; L419-F423 PolarHBondContact O-N 3.13Å; L419-H444 PolarHBondContact O-CE1 2.91Å; L419-K445 HydrophobicContact CD1-CB 4.48Å; L419-K445 HydrophobicContact CD2-CB 4.05Å; L419-K445 HydrophobicContact CD2-CD 4.49Å; L419-W446 HydrophobicContact CB-CB 3.93Å; L419-W446 HydrophobicContact CB-CG 4.44Å
420	F	98.4	Very high	97.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.6	-41.5	174.1	-178.8	-113.4	0	0	0	111.3	L234 V237 L324 L328 L412 D417 F423 L424 W446	L234-F420 HydrophobicContact CD2-CB 4.09Å; L234-F420 HydrophobicContact CD2-CD1 3.97Å; L234-F420 HydrophobicContact CD2-CD2 4.21Å; L234-F420 HydrophobicContact CD2-CE1 4.45Å; L234-F420 HydrophobicContact CD2-CG 3.81Å; V237-F420 HydrophobicContact CG1-CE2 4.07Å; V237-F420 HydrophobicContact CG1-CZ 4.3Å; L324-F420 HydrophobicContact CB-CE2 4.06Å; L324-F420 HydrophobicContact CB-CZ 4.07Å; L328-F420 HydrophobicContact CB-CE1 4.36Å; L328-F420 HydrophobicContact CB-CZ 4.42Å; L328-F420 HydrophobicContact CD2-CD1 3.74Å; L328-F420 HydrophobicContact CD2-CE1 3.3Å; L328-F420 HydrophobicContact CD2-CZ 4.1Å; L328-F420 HydrophobicContact CG-CE1 4.44Å; L412-F420 HydrophobicContact CD1-CD1 4.23Å; L412-F420 HydrophobicContact CD1-CE1 4.23Å; L412-F420 HydrophobicContact CD2-CE1 4.44Å; D417-F420 PolarHBondContact O-N 3.32Å; D417-F420 VanDerWaalsContact O-N 3.13Å; D417-F420 WeakPolarHBondContact OD1-CB 3.42Å; D417-F420 PolarHBondContact OD1-N 3.36Å; F420-F423 WeakPolarHBondContact O-CB 3.39Å; F420-F423 PolarHBondContact O-N 2.82Å; F420-L424 HydrophobicContact CD1-CD1 4Å; F420-L424 HydrophobicContact CD1-CG 4.28Å; F420-L424 HydrophobicContact CD2-CG 4.46Å; F420-L424 HydrophobicContact CE1-CD1 3.35Å; F420-L424 HydrophobicContact CE1-CD2 4.44Å; F420-L424 HydrophobicContact CE1-CG 3.86Å; F420-L424 HydrophobicContact CE2-CD1 4.43Å; F420-L424 HydrophobicContact CE2-CD2 4.11Å; F420-L424 HydrophobicContact CE2-CG 4.1Å; F420-L424 HydrophobicContact CZ-CD1 3.65Å; F420-L424 HydrophobicContact CZ-CD2 3.9Å; F420-L424 HydrophobicContact CZ-CG 3.8Å; F420-L424 WeakPolarHBondContact O-CG 3.34Å; F420-L424 PolarHBondContact O-N 3.19Å; F420-W446 HydrophobicContact CB-CG 4.47Å; F420-W446 AromaticContact CD2-CD2 3.96Å; F420-W446 HydrophobicContact CD2-CD2 3.96Å; F420-W446 AromaticContact CD2-CE2 3.39Å; F420-W446 HydrophobicContact CD2-CE3 4.31Å; F420-W446 AromaticContact CD2-CH2 3.7Å; F420-W446 HydrophobicContact CD2-CH2 3.7Å; F420-W446 AromaticContact CD2-CZ2 3.27Å; F420-W446 HydrophobicContact CD2-CZ2 3.27Å; F420-W446 HydrophobicContact CD2-CZ3 4.19Å; F420-W446 AromaticContact CD2-NE1 3.73Å; F420-W446 AromaticContact CE2-CH2 3.67Å; F420-W446 HydrophobicContact CE2-CH2 3.67Å; F420-W446 AromaticContact CE2-CZ2 3.61Å; F420-W446 HydrophobicContact CE2-CZ2 3.61Å; F420-W446 HydrophobicContact CE2-CZ3 4.32Å; F420-W446 HydrophobicContact CG-CZ2 4.34Å
421	V	98.6	Very high	97.3	Very high	24 Å²	24	47.3 Å²	47.3	15%	0.145	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-42.9	175.6	175.1	0	0	0	0	110.9	W408 L412 D417 E418 L424 K425	W408-V421 HydrophobicContact CB-CG1 4.09Å; W408-V421 HydrophobicContact CD2-CG1 4.16Å; W408-V421 HydrophobicContact CE3-CG1 4.44Å; W408-V421 HydrophobicContact CG-CG1 4Å; L412-V421 HydrophobicContact CD1-CG2 3.75Å; D417-V421 WeakPolarHBondContact O-CG2 3.36Å; D417-V421 PolarHBondContact O-N 3.03Å; E418-V421 PolarHBondContact O-N 3.37Å; V421-L424 PolarHBondContact O-N 3.05Å; V421-K425 HydrophobicContact CG1-CD 4.17Å; V421-K425 HydrophobicContact CG1-CG 4.46Å; V421-K425 WeakPolarHBondContact O-CB 3.48Å; V421-K425 WeakPolarHBondContact O-CG 3.31Å; V421-K425 PolarHBondContact O-N 3.35Å
422	D	98.6	Very high	97.3	Very high	53 Å²	53	48.5 Å²	48.5	28%	0.283	24%	0.24	S	C	.	.	H	α-helix	trans	-59.4	-45.9	172.6	-179.3	45.3	0	0	0	111.3	E418 L424 K425 R426 H444	E418-D422 PolarHBondContact O-N 3.09Å; D422-L424 PolarHBondContact O-N 2.91Å; D422-K425 PolarHBondContact O-N 3.07Å; D422-R426 VanDerWaalsContact O-CG 3.3Å; D422-R426 WeakPolarHBondContact O-CG 3.41Å; D422-R426 PolarHBondContact O-N 2.7Å; D422-R426 IonicContact OD1-CZ 2.98Å; D422-R426 IonicContact OD1-NE 2.72Å; D422-R426 PolarHBondContact OD1-NE 2.96Å; D422-R426 IonicContact OD1-NH2 3.9Å; D422-R426 IonicContact OD2-CZ 3.62Å; D422-R426 IonicContact OD2-NE 3.66Å; D422-R426 PolarHBondContact OD2-NE 2.65Å; D422-R426 IonicContact OD2-NH2 2.8Å; D422-R426 PolarHBondContact OD2-NH2 3.44Å; D422-H444 IonicContact OD2-CE1 3.35Å; D422-H444 PolarHBondContact OD2-CE1 3.15Å; D422-H444 IonicContact OD2-NE2 3.4Å; D422-H444 PolarHBondContact OD2-NE2 3.44Å
423	F	98.8	Very high	97.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-46.9	176.2	-172.6	-83.5	0	0	0	112	L245 L324 L419 F420 R426 C427 M436 A441 H444 W446 L447	L245-F423 HydrophobicContact CD1-CZ 4.14Å; L324-F423 HydrophobicContact CD1-CD1 4.14Å; L324-F423 HydrophobicContact CD1-CE1 3.59Å; L419-F423 WeakPolarHBondContact O-CB 3.49Å; L419-F423 PolarHBondContact O-N 3.13Å; F420-F423 WeakPolarHBondContact O-CB 3.39Å; F420-F423 PolarHBondContact O-N 2.82Å; F423-R426 PolarHBondContact O-N 3.09Å; F423-C427 VanDerWaalsContact CE1-SG 3.51Å; F423-C427 PolarHBondContact O-N 3.02Å; F423-C427 PolarHBondContact O-SG 3.31Å; F423-M436 HydrophobicContact CD1-CE 4.11Å; F423-M436 HydrophobicContact CD2-CE 3.62Å; F423-M436 HydrophobicContact CD2-SD 4.41Å; F423-M436 HydrophobicContact CE1-CE 4Å; F423-M436 HydrophobicContact CE2-CE 3.53Å; F423-M436 HydrophobicContact CE2-SD 4.34Å; F423-M436 HydrophobicContact CG-CE 3.93Å; F423-M436 HydrophobicContact CZ-CE 3.72Å; F423-M436 WeakPolarHBondContact O-CE 3.22Å; F423-A441 HydrophobicContact CE2-CB 3.73Å; F423-A441 HydrophobicContact CZ-CB 3.8Å; F423-H444 HydrophobicContact CD2-CB 3.78Å; F423-H444 AromaticContact CD2-CG 3.59Å; F423-H444 AromaticContact CD2-ND1 3.57Å; F423-H444 HydrophobicContact CE2-CB 4.04Å; F423-W446 HydrophobicContact CB-CB 4.3Å; F423-W446 HydrophobicContact CB-CD2 4.43Å; F423-W446 HydrophobicContact CB-CE3 4.05Å; F423-W446 AromaticContact CD1-CE3 3.87Å; F423-W446 HydrophobicContact CD1-CE3 3.87Å; F423-W446 AromaticContact CD1-CZ3 3.88Å; F423-W446 HydrophobicContact CD1-CZ3 3.88Å; F423-W446 AromaticContact CD2-CE3 3.61Å; F423-W446 HydrophobicContact CD2-CE3 3.61Å; F423-W446 HydrophobicContact CD2-CZ3 4.27Å; F423-W446 HydrophobicContact CE1-CE3 4.23Å; F423-W446 AromaticContact CE1-CZ3 3.94Å; F423-W446 HydrophobicContact CE1-CZ3 3.94Å; F423-W446 AromaticContact CE2-CE3 3.96Å; F423-W446 HydrophobicContact CE2-CE3 3.96Å; F423-W446 HydrophobicContact CE2-CZ3 4.3Å; F423-W446 HydrophobicContact CG-CD2 4.39Å; F423-W446 AromaticContact CG-CE3 3.56Å; F423-W446 HydrophobicContact CG-CE3 3.56Å; F423-W446 HydrophobicContact CG-CZ3 4.06Å; F423-W446 HydrophobicContact CZ-CE3 4.27Å; F423-W446 HydrophobicContact CZ-CZ3 4.15Å; F423-L447 HydrophobicContact CE2-CD1 4.15Å; F423-L447 HydrophobicContact CE2-CG 4.23Å
424	L	98.9	Very high	97.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-43.8	178.7	-72.9	-171.1	0	0	0	112.4	G321 L324 A325 W408 L412 F420 V421 D422 R426 C427 L428	G321-L424 VanDerWaalsContact O-CD2 3.28Å; G321-L424 WeakPolarHBondContact O-CD2 3.47Å; L324-L424 HydrophobicContact CB-CD2 4.07Å; A325-L424 HydrophobicContact CB-CD1 3.99Å; W408-L424 HydrophobicContact CH2-CB 4.2Å; W408-L424 HydrophobicContact CZ3-CB 3.87Å; W408-L424 HydrophobicContact CZ3-CD1 4.09Å; L412-L424 HydrophobicContact CD1-CD1 4Å; L412-L424 HydrophobicContact CD2-CD1 3.86Å; F420-L424 HydrophobicContact CD1-CD1 4Å; F420-L424 HydrophobicContact CD1-CG 4.28Å; F420-L424 HydrophobicContact CD2-CG 4.46Å; F420-L424 HydrophobicContact CE1-CD1 3.35Å; F420-L424 HydrophobicContact CE1-CD2 4.44Å; F420-L424 HydrophobicContact CE1-CG 3.86Å; F420-L424 HydrophobicContact CE2-CD1 4.43Å; F420-L424 HydrophobicContact CE2-CD2 4.11Å; F420-L424 HydrophobicContact CE2-CG 4.1Å; F420-L424 HydrophobicContact CZ-CD1 3.65Å; F420-L424 HydrophobicContact CZ-CD2 3.9Å; F420-L424 HydrophobicContact CZ-CG 3.8Å; F420-L424 WeakPolarHBondContact O-CG 3.34Å; F420-L424 PolarHBondContact O-N 3.19Å; V421-L424 PolarHBondContact O-N 3.05Å; D422-L424 PolarHBondContact O-N 2.91Å; L424-R426 VanDerWaalsContact C-N 3.25Å; L424-R426 PolarHBondContact O-N 2.98Å; L424-C427 PolarHBondContact O-N 2.94Å; L424-C427 VanDerWaalsContact O-N 3.16Å; L424-L428 WeakPolarHBondContact O-CB 3.34Å; L424-L428 WeakPolarHBondContact O-CG 3.21Å; L424-L428 PolarHBondContact O-N 2.88Å
425	K	98.8	Very high	97.4	Very high	104 Å²	104	48.9 Å²	48.9	45%	0.452	25%	0.245	S	C	.	.	H	α-helix	trans	-57.5	-40.4	176.4	-78.3	176	174	-177.2	0	111.6	W408 V421 D422 L428 D429	W408-K425 VanDerWaalsContact CD1-CE 3.41Å; W408-K425 HydrophobicContact CD2-CG 4.42Å; W408-K425 HydrophobicContact CH2-CG 4.13Å; W408-K425 HydrophobicContact CZ2-CB 4.47Å; W408-K425 HydrophobicContact CZ2-CG 3.46Å; W408-K425 VanDerWaalsContact CZ2-CG 3.46Å; V421-K425 HydrophobicContact CG1-CD 4.17Å; V421-K425 HydrophobicContact CG1-CG 4.46Å; V421-K425 WeakPolarHBondContact O-CB 3.48Å; V421-K425 WeakPolarHBondContact O-CG 3.31Å; V421-K425 PolarHBondContact O-N 3.35Å; D422-K425 PolarHBondContact O-N 3.07Å; K425-L428 CarbonylContact O-C 3.38Å; K425-L428 PolarHBondContact O-N 3.34Å; K425-D429 PolarHBondContact O-N 3.16Å; K425-D429 VanDerWaalsContact O-N 3.17Å
426	R	98.8	Very high	97.5	Very high	124 Å²	124	46.1 Å²	46.1	47%	0.468	23%	0.231	S	C	.	.	H	α-helix	trans	-71.4	-32.1	177.3	-69	173.5	-173.3	-116.4	3.4	113.7	D422 F423 L424 L428 R435 M436	D422-R426 VanDerWaalsContact O-CG 3.3Å; D422-R426 WeakPolarHBondContact O-CG 3.41Å; D422-R426 PolarHBondContact O-N 2.7Å; D422-R426 IonicContact OD1-CZ 2.98Å; D422-R426 IonicContact OD1-NE 2.72Å; D422-R426 PolarHBondContact OD1-NE 2.96Å; D422-R426 IonicContact OD1-NH2 3.9Å; D422-R426 IonicContact OD2-CZ 3.62Å; D422-R426 IonicContact OD2-NE 3.66Å; D422-R426 PolarHBondContact OD2-NE 2.65Å; D422-R426 IonicContact OD2-NH2 2.8Å; D422-R426 PolarHBondContact OD2-NH2 3.44Å; F423-R426 PolarHBondContact O-N 3.09Å; L424-R426 VanDerWaalsContact C-N 3.25Å; L424-R426 PolarHBondContact O-N 2.98Å; R426-L428 VanDerWaalsContact C-N 3.34Å; R426-R435 WeakPolarHBondContact O-CG 3.3Å; R426-M436 HydrophobicContact CB-CB 3.84Å; R426-M436 HydrophobicContact CB-CE 3.91Å; R426-M436 HydrophobicContact CB-SD 4.02Å; R426-M436 PolarHBondContact O-N 2.78Å
427	C	98.9	Very high	97.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.1	-31.5	170.5	-73	0	0	0	0	112.3	F423 L424 R435 M436	F423-C427 VanDerWaalsContact CE1-SG 3.51Å; F423-C427 PolarHBondContact O-N 3.02Å; F423-C427 PolarHBondContact O-SG 3.31Å; L424-C427 PolarHBondContact O-N 2.94Å; L424-C427 VanDerWaalsContact O-N 3.16Å; C427-R435 WeakPolarHBondContact O-CD 3.5Å; C427-R435 WeakPolarHBondContact O-CG 3.46Å; C427-M436 WeakPolarHBondContact SG-CE 3.45Å
428	L	98.8	Very high	98.1	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	27.3	-174.7	-60.6	173.3	0	0	0	111.9	W318 L333 L350 W408 L424 K425 R426	W318-L428 HydrophobicContact CD2-CD2 3.55Å; W318-L428 HydrophobicContact CE3-CB 4.28Å; W318-L428 HydrophobicContact CE3-CD2 3.72Å; W318-L428 HydrophobicContact CG-CD2 4.04Å; W318-L428 HydrophobicContact CH2-CB 4.41Å; W318-L428 HydrophobicContact CH2-CD2 4.16Å; W318-L428 HydrophobicContact CZ2-CD2 4.02Å; W318-L428 HydrophobicContact CZ3-CB 4.01Å; W318-L428 HydrophobicContact CZ3-CD2 4.03Å; W318-L428 WeakPolarHBondContact CZ3-O 3.46Å; L333-L428 HydrophobicContact CD2-CD1 3.62Å; L350-L428 HydrophobicContact CD1-CB 4.26Å; L350-L428 WeakPolarHBondContact CD1-O 3.46Å; W408-L428 HydrophobicContact CH2-CD1 3.81Å; W408-L428 HydrophobicContact CZ3-CD1 4.36Å; L424-L428 WeakPolarHBondContact O-CB 3.34Å; L424-L428 WeakPolarHBondContact O-CG 3.21Å; L424-L428 PolarHBondContact O-N 2.88Å; K425-L428 CarbonylContact O-C 3.38Å; K425-L428 PolarHBondContact O-N 3.34Å; R426-L428 VanDerWaalsContact C-N 3.34Å
429	D	98.4	Very high	98.1	Very high	52 Å²	52	38.6 Å²	38.6	28%	0.278	20%	0.197	S	C	.	.			trans	-64.6	138.4	172	-163.4	-17.4	0	0	0	110.1	K425 D431 T434 R435	K425-D429 PolarHBondContact O-N 3.16Å; K425-D429 VanDerWaalsContact O-N 3.17Å; D429-D431 PolarHBondContact OD1-N 2.85Å; D429-T434 VanDerWaalsContact CG-OG1 3.28Å; D429-T434 WeakPolarHBondContact OD2-CB 3.22Å; D429-T434 PolarHBondContact OD2-OG1 3.14Å; D429-R435 HydrophobicContact CB-CB 4.07Å; D429-R435 HydrophobicContact CB-CG 4.28Å; D429-R435 VanDerWaalsContact O-CZ 3.3Å; D429-R435 PolarHBondContact O-NE 3.34Å; D429-R435 PolarHBondContact O-NH2 3.42Å
430	W	97.8	Very high	98.2	Very high	21 Å²	21	41.6 Å²	41.6	8%	0.08	21%	0.21	C	C	.	.	S	Bend	trans	-64.1	-42.8	178.3	-83	106.8	0	0	0	111.8	P303 L307 L343 I346 I347 G351 P353 P354 P432	P303-W430 HydrophobicContact CB-CE3 3.63Å; P303-W430 HydrophobicContact CB-CH2 4.48Å; P303-W430 HydrophobicContact CB-CZ3 3.42Å; P303-W430 VanDerWaalsContact CB-CZ3 3.42Å; P303-W430 HydrophobicContact CG-CE3 3.83Å; P303-W430 HydrophobicContact CG-CZ3 4.12Å; L307-W430 HydrophobicContact CD1-CZ3 4.33Å; L343-W430 HydrophobicContact CD1-CH2 3.81Å; L343-W430 HydrophobicContact CD1-CZ3 3.93Å; I346-W430 HydrophobicContact CB-CH2 4.26Å; I346-W430 HydrophobicContact CB-CZ2 4.49Å; I346-W430 HydrophobicContact CG2-CH2 3.42Å; I346-W430 VanDerWaalsContact CG2-CH2 3.42Å; I346-W430 HydrophobicContact CG2-CZ2 3.45Å; I346-W430 VanDerWaalsContact CG2-CZ2 3.45Å; I346-W430 HydrophobicContact CG2-CZ3 4.05Å; I347-W430 HydrophobicContact CG1-CH2 3.84Å; I347-W430 HydrophobicContact CG1-CZ2 3.9Å; G351-W430 VanDerWaalsContact O-CZ2 3.28Å; G351-W430 WeakPolarHBondContact O-CZ2 3.26Å; G351-W430 PolarHBondContact O-NE1 3.43Å; P353-W430 HydrophobicContact CB-CD2 3.96Å; P353-W430 HydrophobicContact CB-CE3 3.71Å; P353-W430 HydrophobicContact CB-CH2 4.03Å; P353-W430 HydrophobicContact CB-CZ2 4.26Å; P353-W430 HydrophobicContact CB-CZ3 3.75Å; P353-W430 HydrophobicContact CG-CH2 4.23Å; P353-W430 HydrophobicContact CG-CZ3 4.3Å; P354-W430 HydrophobicContact CG-CB 4.13Å; W430-P432 WeakPolarHBondContact O-CD 3.2Å
431	D	96.3	Very high	98.2	Very high	23 Å²	23	41.6 Å²	41.6	12%	0.123	21%	0.21	C	C	.	.	S	Bend	trans	-83.7	113.5	-179.7	-171.7	-13.3	0	0	0	109.4	K356 D429 E433 T434 R435	K356-D431 IonicContact NZ-OD2 3.64Å; K356-D431 PolarHBondContact NZ-OD2 3.06Å; D429-D431 PolarHBondContact OD1-N 2.85Å; D431-E433 PolarHBondContact O-N 3.36Å; D431-E433 VanDerWaalsContact O-N 3.17Å; D431-E433 WeakPolarHBondContact OD1-CB 3.39Å; D431-E433 PolarHBondContact OD1-N 3.48Å; D431-T434 PolarHBondContact O-N 3.32Å; D431-T434 VanDerWaalsContact O-N 3.17Å; D431-T434 PolarHBondContact O-OG1 2.67Å; D431-R435 PolarHBondContact O-N 3.05Å
432	P	97	Very high	98.1	Very high	30 Å²	30	42.4 Å²	42.4	20%	0.195	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.1	178.4	26.6	-35.1	0	0	0	113.2	P314 W430	P314-P432 HydrophobicContact CB-CB 3.8Å; P314-P432 HydrophobicContact CG-CB 4.1Å; P314-P432 VanDerWaalsContact CG-O 3.29Å; P314-P432 WeakPolarHBondContact CG-O 3.47Å; W430-P432 WeakPolarHBondContact O-CD 3.2Å
433	E	95.5	Very high	98	Very high	151 Å²	151	47.4 Å²	47.4	71%	0.706	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-31.4	177	-61.3	-177.3	157.2	0	0	112.5	K356 D431	K356-E433 IonicContact NZ-OE2 3.72Å; K356-E433 PolarHBondContact NZ-OE2 2.9Å; D431-E433 PolarHBondContact O-N 3.36Å; D431-E433 VanDerWaalsContact O-N 3.17Å; D431-E433 WeakPolarHBondContact OD1-CB 3.39Å; D431-E433 PolarHBondContact OD1-N 3.48Å
434	T	96.6	Very high	98	Very high	87 Å²	87	48 Å²	48	53%	0.534	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-16	178.6	58.6	0	0	0	0	112.9	D429 D431 M436	D429-T434 VanDerWaalsContact CG-OG1 3.28Å; D429-T434 WeakPolarHBondContact OD2-CB 3.22Å; D429-T434 PolarHBondContact OD2-OG1 3.14Å; D431-T434 PolarHBondContact O-N 3.32Å; D431-T434 VanDerWaalsContact O-N 3.17Å; D431-T434 PolarHBondContact O-OG1 2.67Å; T434-M436 PolarHBondContact O-N 2.95Å
435	R	98.4	Very high	97.9	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.019	27%	0.268	C	S	.	.	S	Bend	trans	-54.9	135	175.9	-167.5	-179.9	-64.7	148.7	9	111.1	E304 P314 R426 C427 D429 D431 T437	E304-R435 IonicContact OE1-CZ 2.67Å; E304-R435 IonicContact OE1-NH1 3.35Å; E304-R435 PolarHBondContact OE1-NH1 3.31Å; E304-R435 IonicContact OE1-NH2 3.53Å; E304-R435 PolarHBondContact OE1-NH2 2.94Å; E304-R435 IonicContact OE2-CZ 2.7Å; E304-R435 IonicContact OE2-NH1 2.96Å; E304-R435 PolarHBondContact OE2-NH1 2.69Å; E304-R435 IonicContact OE2-NH2 2.78Å; E304-R435 PolarHBondContact OE2-NH2 2.86Å; P314-R435 WeakPolarHBondContact O-CD 3.46Å; P314-R435 PolarHBondContact O-NH1 2.91Å; R426-R435 WeakPolarHBondContact O-CG 3.3Å; C427-R435 WeakPolarHBondContact O-CD 3.5Å; C427-R435 WeakPolarHBondContact O-CG 3.46Å; D429-R435 HydrophobicContact CB-CB 4.07Å; D429-R435 HydrophobicContact CB-CG 4.28Å; D429-R435 VanDerWaalsContact O-CZ 3.3Å; D429-R435 PolarHBondContact O-NE 3.34Å; D429-R435 PolarHBondContact O-NH2 3.42Å; D431-R435 PolarHBondContact O-N 3.05Å; R435-T437 PolarHBondContact O-N 3.2Å
436	M	98.7	Very high	97.8	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.049	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-59.3	129	-176.6	177	171.5	65.1	0	0	111.8	M317 F423 R426 C427 T434 Q440 A441	M317-M436 HydrophobicContact CE-CE 4.39Å; M317-M436 HydrophobicContact CE-CG 4.48Å; M317-M436 WeakPolarHBondContact CE-O 3.11Å; M317-M436 VanDerWaalsContact CG-O 3.28Å; M317-M436 WeakPolarHBondContact CG-O 3.33Å; F423-M436 HydrophobicContact CD1-CE 4.11Å; F423-M436 HydrophobicContact CD2-CE 3.62Å; F423-M436 HydrophobicContact CD2-SD 4.41Å; F423-M436 HydrophobicContact CE1-CE 4Å; F423-M436 HydrophobicContact CE2-CE 3.53Å; F423-M436 HydrophobicContact CE2-SD 4.34Å; F423-M436 HydrophobicContact CG-CE 3.93Å; F423-M436 HydrophobicContact CZ-CE 3.72Å; F423-M436 WeakPolarHBondContact O-CE 3.22Å; R426-M436 HydrophobicContact CB-CB 3.84Å; R426-M436 HydrophobicContact CB-CE 3.91Å; R426-M436 HydrophobicContact CB-SD 4.02Å; R426-M436 PolarHBondContact O-N 2.78Å; C427-M436 WeakPolarHBondContact SG-CE 3.45Å; T434-M436 PolarHBondContact O-N 2.95Å; M436-Q440 HydrophobicContact CG-CB 3.82Å; M436-A441 HydrophobicContact CE-CB 3.87Å; M436-A441 HydrophobicContact CG-CB 4Å; M436-A441 VanDerWaalsContact SD-CA 3.59Å; M436-A441 HydrophobicContact SD-CB 3.89Å
437	T	98.9	Very high	97.6	Very high	41 Å²	41	45.8 Å²	45.8	25%	0.252	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-79.9	161.3	175	61.7	0	0	0	0	111.7	R435 A439 Q440 A441	R435-T437 PolarHBondContact O-N 3.2Å; T437-A439 VanDerWaalsContact C-N 3.31Å; T437-A439 PolarHBondContact O-N 3.35Å; T437-Q440 PolarHBondContact O-N 3.24Å; T437-Q440 VanDerWaalsContact O-N 3.16Å; T437-Q440 WeakPolarHBondContact OG1-CB 3.42Å; T437-Q440 VanDerWaalsContact OG1-CG 3.26Å; T437-Q440 WeakPolarHBondContact OG1-CG 3.35Å; T437-Q440 PolarHBondContact OG1-N 2.99Å; T437-Q440 PolarHBondContact OG1-OE1 2.94Å; T437-A441 WeakPolarHBondContact O-CB 3.45Å; T437-A441 PolarHBondContact O-N 2.86Å
438	P	98.7	Very high	97	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.032	26%	0.263	C	S	.	.	H	α-helix	trans	-55.6	-42.5	175.4	-25.7	35.4	0	0	0	113.4	L245 L248 D249 Q252 M317 Q440 A441 L442	L245-P438 HydrophobicContact CD2-CB 4.06Å; L248-P438 HydrophobicContact CB-CB 4.06Å; L248-P438 HydrophobicContact CB-CG 3.7Å; D249-P438 HydrophobicContact CB-CB 3.98Å; Q252-P438 HydrophobicContact CB-CG 4.44Å; M317-P438 HydrophobicContact CG-CG 4.22Å; M317-P438 HydrophobicContact SD-CB 4.35Å; M317-P438 HydrophobicContact SD-CG 3.74Å; P438-Q440 VanDerWaalsContact C-N 3.35Å; P438-Q440 PolarHBondContact O-N 2.9Å; P438-A441 WeakPolarHBondContact O-CB 3.44Å; P438-A441 PolarHBondContact O-N 3.34Å; P438-L442 WeakPolarHBondContact O-CG 3.15Å; P438-L442 PolarHBondContact O-N 2.78Å
439	A	98.2	Very high	95.8	Very high	32 Å²	32	61.4 Å²	61.4	26%	0.264	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-37.6	178.2	0	0	0	0	0	112.9	T437 K443	T437-A439 VanDerWaalsContact C-N 3.31Å; T437-A439 PolarHBondContact O-N 3.35Å; A439-K443 WeakPolarHBondContact O-CG 3.24Å
440	Q	98.4	Very high	93.9	Very high	109 Å²	109	69.2 Å²	69.2	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-70.7	-41.5	173.3	-72.6	163	-27.7	0	0	111	M436 T437 P438 L442 K443 H444	M436-Q440 HydrophobicContact CG-CB 3.82Å; T437-Q440 PolarHBondContact O-N 3.24Å; T437-Q440 VanDerWaalsContact O-N 3.16Å; T437-Q440 WeakPolarHBondContact OG1-CB 3.42Å; T437-Q440 VanDerWaalsContact OG1-CG 3.26Å; T437-Q440 WeakPolarHBondContact OG1-CG 3.35Å; T437-Q440 PolarHBondContact OG1-N 2.99Å; T437-Q440 PolarHBondContact OG1-OE1 2.94Å; P438-Q440 VanDerWaalsContact C-N 3.35Å; P438-Q440 PolarHBondContact O-N 2.9Å; Q440-L442 PolarHBondContact O-N 3.47Å; Q440-K443 CarbonylContact O-C 3.54Å; Q440-K443 WeakPolarHBondContact O-CA 3.48Å; Q440-K443 PolarHBondContact O-N 3.46Å; Q440-H444 PolarHBondContact O-N 2.83Å; Q440-H444 VanDerWaalsContact O-N 3.13Å
441	A	98.5	Very high	91.7	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.8	-45.3	178.2	0	0	0	0	0	112	L245 M317 F423 M436 T437 P438 K443 H444 L447	L245-A441 HydrophobicContact CD1-CB 3.83Å; L245-A441 HydrophobicContact CD2-CB 3.56Å; L245-A441 HydrophobicContact CG-CB 4.37Å; M317-A441 HydrophobicContact CE-CB 3.79Å; F423-A441 HydrophobicContact CE2-CB 3.73Å; F423-A441 HydrophobicContact CZ-CB 3.8Å; M436-A441 HydrophobicContact CE-CB 3.87Å; M436-A441 HydrophobicContact CG-CB 4Å; M436-A441 VanDerWaalsContact SD-CA 3.59Å; M436-A441 HydrophobicContact SD-CB 3.89Å; T437-A441 WeakPolarHBondContact O-CB 3.45Å; T437-A441 PolarHBondContact O-N 2.86Å; P438-A441 WeakPolarHBondContact O-CB 3.44Å; P438-A441 PolarHBondContact O-N 3.34Å; A441-K443 PolarHBondContact O-N 3.26Å; A441-K443 VanDerWaalsContact O-N 3.14Å; A441-H444 WeakPolarHBondContact O-CB 3.42Å; A441-H444 PolarHBondContact O-N 3.13Å; A441-L447 VanDerWaalsContact O-CD1 3.22Å; A441-L447 WeakPolarHBondContact O-CD1 3.41Å
442	L	97.4	Very high	89.1	Confident	41 Å²	41	77 Å²	77	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-57.4	-26.6	174.5	-75	168.9	0	0	0	113.2	Y242 L245 L246 D249 P438 Q440	Y242-L442 HydrophobicContact CD2-CD2 3.77Å; Y242-L442 HydrophobicContact CE2-CD2 3.77Å; L245-L442 HydrophobicContact CB-CD2 3.75Å; L245-L442 HydrophobicContact CB-CG 4Å; L245-L442 HydrophobicContact CD1-CD2 4.26Å; L245-L442 HydrophobicContact CD1-CG 4.44Å; L246-L442 HydrophobicContact CD2-CD2 4.4Å; D249-L442 HydrophobicContact CB-CD1 4.15Å; P438-L442 WeakPolarHBondContact O-CG 3.15Å; P438-L442 PolarHBondContact O-N 2.78Å; Q440-L442 PolarHBondContact O-N 3.47Å
443	K	96.9	Very high	86.3	Confident	157 Å²	157	81.1 Å²	81.1	68%	0.683	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-5.3	177.7	-64.6	173.9	-175.6	177.2	0	113.3	A439 Q440 A441 R448	A439-K443 WeakPolarHBondContact O-CG 3.24Å; Q440-K443 CarbonylContact O-C 3.54Å; Q440-K443 WeakPolarHBondContact O-CA 3.48Å; Q440-K443 PolarHBondContact O-N 3.46Å; A441-K443 PolarHBondContact O-N 3.26Å; A441-K443 VanDerWaalsContact O-N 3.14Å; K443-R448 VanDerWaalsContact O-CD 3.24Å; K443-R448 WeakPolarHBondContact O-CD 3.5Å
444	H	98.1	Very high	83.6	Confident	14 Å²	14	79 Å²	79	7%	0.065	38%	0.382	C	S	.	.	S	Bend	trans	-64.3	144.5	-176.1	-165.9	-92.6	0	0	0	112.3	L419 D422 F423 Q440 A441 W446 L447 R448	L419-H444 PolarHBondContact O-CE1 2.91Å; D422-H444 IonicContact OD2-CE1 3.35Å; D422-H444 PolarHBondContact OD2-CE1 3.15Å; D422-H444 IonicContact OD2-NE2 3.4Å; D422-H444 PolarHBondContact OD2-NE2 3.44Å; F423-H444 HydrophobicContact CD2-CB 3.78Å; F423-H444 AromaticContact CD2-CG 3.59Å; F423-H444 AromaticContact CD2-ND1 3.57Å; F423-H444 HydrophobicContact CE2-CB 4.04Å; Q440-H444 PolarHBondContact O-N 2.83Å; Q440-H444 VanDerWaalsContact O-N 3.13Å; A441-H444 WeakPolarHBondContact O-CB 3.42Å; A441-H444 PolarHBondContact O-N 3.13Å; H444-W446 WeakPolarHBondContact ND1-CB 3.24Å; H444-W446 PolarHBondContact ND1-N 3.35Å; H444-W446 VanDerWaalsContact ND1-N 3.18Å; H444-W446 PolarHBondContact O-N 3.1Å; H444-L447 PolarHBondContact O-N 2.99Å; H444-R448 PolarHBondContact O-N 3.13Å
445	K	96.3	Very high	81	Confident	157 Å²	157	80.1 Å²	80.1	68%	0.683	39%	0.391	S	S	*	.	H	α-helix	trans	-55.7	-37.6	-177.7	-68.5	-177.1	-178.9	178.4	0	112.8	L419 L447 R448 R449	L419-K445 HydrophobicContact CD1-CB 4.48Å; L419-K445 HydrophobicContact CD2-CB 4.05Å; L419-K445 HydrophobicContact CD2-CD 4.49Å; K445-L447 VanDerWaalsContact C-N 3.33Å; K445-L447 PolarHBondContact O-N 3.18Å; K445-R448 PolarHBondContact O-N 3.05Å; K445-R449 PolarHBondContact O-N 2.98Å; K445-R449 VanDerWaalsContact O-N 3.1Å
446	W	96.9	Very high	78.2	Confident	0 Å²	0	91.1 Å²	91.1	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-58.5	-39.2	176.5	179	66.7	0	0	0	113.5	V237 R238 A241 L324 L419 F420 F423 H444	V237-W446 HydrophobicContact CG1-CH2 4.2Å; V237-W446 HydrophobicContact CG1-CZ2 4.3Å; R238-W446 HydrophobicContact CB-CH2 4.31Å; R238-W446 HydrophobicContact CB-CZ2 3.91Å; R238-W446 WeakPolarHBondContact CD-O 3.26Å; R238-W446 HydrophobicContact CG-CZ2 4.4Å; R238-W446 PolarHBondContact NE-O 3.45Å; A241-W446 HydrophobicContact CB-CH2 3.64Å; A241-W446 HydrophobicContact CB-CZ3 3.6Å; L324-W446 HydrophobicContact CD1-CH2 4.15Å; L324-W446 HydrophobicContact CD1-CZ3 4.05Å; L419-W446 HydrophobicContact CB-CB 3.93Å; L419-W446 HydrophobicContact CB-CG 4.44Å; F420-W446 HydrophobicContact CB-CG 4.47Å; F420-W446 AromaticContact CD2-CD2 3.96Å; F420-W446 HydrophobicContact CD2-CD2 3.96Å; F420-W446 AromaticContact CD2-CE2 3.39Å; F420-W446 HydrophobicContact CD2-CE3 4.31Å; F420-W446 AromaticContact CD2-CH2 3.7Å; F420-W446 HydrophobicContact CD2-CH2 3.7Å; F420-W446 AromaticContact CD2-CZ2 3.27Å; F420-W446 HydrophobicContact CD2-CZ2 3.27Å; F420-W446 HydrophobicContact CD2-CZ3 4.19Å; F420-W446 AromaticContact CD2-NE1 3.73Å; F420-W446 AromaticContact CE2-CH2 3.67Å; F420-W446 HydrophobicContact CE2-CH2 3.67Å; F420-W446 AromaticContact CE2-CZ2 3.61Å; F420-W446 HydrophobicContact CE2-CZ2 3.61Å; F420-W446 HydrophobicContact CE2-CZ3 4.32Å; F420-W446 HydrophobicContact CG-CZ2 4.34Å; F423-W446 HydrophobicContact CB-CB 4.3Å; F423-W446 HydrophobicContact CB-CD2 4.43Å; F423-W446 HydrophobicContact CB-CE3 4.05Å; F423-W446 AromaticContact CD1-CE3 3.87Å; F423-W446 HydrophobicContact CD1-CE3 3.87Å; F423-W446 AromaticContact CD1-CZ3 3.88Å; F423-W446 HydrophobicContact CD1-CZ3 3.88Å; F423-W446 AromaticContact CD2-CE3 3.61Å; F423-W446 HydrophobicContact CD2-CE3 3.61Å; F423-W446 HydrophobicContact CD2-CZ3 4.27Å; F423-W446 HydrophobicContact CE1-CE3 4.23Å; F423-W446 AromaticContact CE1-CZ3 3.94Å; F423-W446 HydrophobicContact CE1-CZ3 3.94Å; F423-W446 AromaticContact CE2-CE3 3.96Å; F423-W446 HydrophobicContact CE2-CE3 3.96Å; F423-W446 HydrophobicContact CE2-CZ3 4.3Å; F423-W446 HydrophobicContact CG-CD2 4.39Å; F423-W446 AromaticContact CG-CE3 3.56Å; F423-W446 HydrophobicContact CG-CE3 3.56Å; F423-W446 HydrophobicContact CG-CZ3 4.06Å; F423-W446 HydrophobicContact CZ-CE3 4.27Å; F423-W446 HydrophobicContact CZ-CZ3 4.15Å; H444-W446 WeakPolarHBondContact ND1-CB 3.24Å; H444-W446 PolarHBondContact ND1-N 3.35Å; H444-W446 VanDerWaalsContact ND1-N 3.18Å; H444-W446 PolarHBondContact O-N 3.1Å
447	L	93.9	Very high	75.7	Confident	23 Å²	23	97.8 Å²	97.8	12%	0.12	47%	0.469	C	S	.	.	H	α-helix	trans	-82.8	-34.4	177.2	-68.3	-174	0	0	0	112.5	R238 A241 L245 F423 A441 H444 K445 R449	R238-L447 HydrophobicContact CG-CD2 3.67Å; A241-L447 HydrophobicContact CB-CD2 4.1Å; L245-L447 HydrophobicContact CD1-CD1 3.27Å; F423-L447 HydrophobicContact CE2-CD1 4.15Å; F423-L447 HydrophobicContact CE2-CG 4.23Å; A441-L447 VanDerWaalsContact O-CD1 3.22Å; A441-L447 WeakPolarHBondContact O-CD1 3.41Å; H444-L447 PolarHBondContact O-N 2.99Å; K445-L447 VanDerWaalsContact C-N 3.33Å; K445-L447 PolarHBondContact O-N 3.18Å; L447-R449 VanDerWaalsContact C-N 3.27Å; L447-R449 PolarHBondContact O-N 3.4Å
448	R	86.4	Confident	73.2	Confident	184 Å²	184	99.1 Å²	99.1	69%	0.694	49%	0.491	S	S	*	.	H	α-helix	trans	-74.7	-12	-179.6	-68.1	-168.4	76	-177	5.1	114.3	K443 H444 K445 R450	K443-R448 VanDerWaalsContact O-CD 3.24Å; K443-R448 WeakPolarHBondContact O-CD 3.5Å; H444-R448 PolarHBondContact O-N 3.13Å; K445-R448 PolarHBondContact O-N 3.05Å; R448-R450 PolarHBondContact O-N 3Å
449	R	75.2	Confident	70.2	Confident	148 Å²	148	106.8 Å²	106.8	56%	0.558	53%	0.53	S	S	*	.	S	Bend	trans	-56.9	106.9	176.4	-165.1	172.4	-175.3	171.8	3	108.2	D417 K445 L447 L451	D417-R449 IonicContact OD2-NH1 3.35Å; D417-R449 PolarHBondContact OD2-NH1 3.18Å; K445-R449 PolarHBondContact O-N 2.98Å; K445-R449 VanDerWaalsContact O-N 3.1Å; L447-R449 VanDerWaalsContact C-N 3.27Å; L447-R449 PolarHBondContact O-N 3.4Å; R449-L451 PolarHBondContact O-N 3.18Å
450	R	57.3	Low	67.3	Low	216 Å²	216	114.1 Å²	114.1	82%	0.815	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-52.4	131.2	-179.8	-72.8	-176	176.2	177.5	-1.4	108.3	R448	R448-R450 PolarHBondContact O-N 3Å
451	L	53	Low	64.2	Low	94 Å²	94	114 Å²	114	49%	0.492	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-52.8	134.5	158.9	-67.5	165.8	0	0	0	106.3	M235 R449 N453	M235-L451 HydrophobicContact CE-CD2 3.56Å; R449-L451 PolarHBondContact O-N 3.18Å; L451-N453 PolarHBondContact O-N 3.35Å
452	P	41.4	Very low	61	Low	112 Å²	112	122.7 Å²	122.7	73%	0.727	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-50.7	131.2	177.8	-23.2	31.3	0	0	0	109.2
453	N	38.5	Very low	57.9	Low	118 Å²	118	124.7 Å²	124.7	63%	0.631	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-60.5	140.8	165.9	-74.1	-22.2	0	0	0	107.1	L451	L451-N453 PolarHBondContact O-N 3.35Å
454	P	38.1	Very low	54.6	Low	105 Å²	105	120.9 Å²	120.9	68%	0.682	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-53.7	147.7	165.8	23.6	-30.7	0	0	0	108.7	R456	P454-R456 PolarHBondContact O-N 3.4Å; P454-R456 VanDerWaalsContact O-N 3.14Å
455	P	41.6	Very low	51.9	Low	112 Å²	112	129 Å²	129	73%	0.727	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-49.3	126.7	177.4	-21	30.1	0	0	0	108.8	D457	P455-D457 PolarHBondContact O-N 3.02Å
456	R	40.5	Very low	48.7	Very low	236 Å²	236	126 Å²	126	89%	0.891	70%	0.696	S	S	*	*			trans	-72.8	94.2	164.6	-77.4	-174.7	168.4	-172	-5.3	105.2	P454 G458	P454-R456 PolarHBondContact O-N 3.4Å; P454-R456 VanDerWaalsContact O-N 3.14Å; R456-G458 PolarHBondContact O-N 3.1Å
457	D	44.8	Very low	45.9	Very low	150 Å²	150	133.9 Å²	133.9	80%	0.802	74%	0.738	S	S	*	*			trans	-57.4	113.4	162.6	-71.6	-28.1	0	0	0	106.2	P455 L459	P455-D457 PolarHBondContact O-N 3.02Å; D457-L459 PolarHBondContact O-N 3.39Å
458	G	47.1	Very low	42.9	Very low	69 Å²	69	141.7 Å²	141.7	71%	0.711	77%	0.774	S	S	*	*			trans	-65.3	121	168.6	0	0	0	0	0	107.6	R456	R456-G458 PolarHBondContact O-N 3.1Å
459	L	35.7	Very low	40.3	Very low	165 Å²	165	141.6 Å²	141.6	86%	0.864	78%	0.781	S	S	*	*			trans	-149.9	111.9	156.5	-135	75.9	0	0	0	109.4	D457	D457-L459 PolarHBondContact O-N 3.39Å
460	E	36.8	Very low	38.3	Very low	187 Å²	187	143.8 Å²	143.8	87%	0.874	80%	0.795	S	S	*	*			trans	-58	140.4	152	-68.4	178.1	145.3	0	0	109.2
461	S	34.3	Very low	37	Very low	105 Å²	105	143.7 Å²	143.7	73%	0.734	80%	0.8	S	S	*	*			trans	54	102.7	152.8	-162.9	0	0	0	0	119.6
462	M	30.2	Very low	36.2	Very low	184 Å²	184	142.8 Å²	142.8	91%	0.906	80%	0.799	S	S	*	*				163.2	143.4	113.6	-87.3	-115.4	-95.5	0	0	111.2
463	G	33.3	Very low	36.4	Very low	83 Å²	83	144 Å²	144	86%	0.856	80%	0.795	S	S	*	*			trans	-67.8	166.2	-163.2	0	0	0	0	0	117.6
464	G	27.7	Very low	36.7	Very low	77 Å²	77	143.2 Å²	143.2	79%	0.794	79%	0.794	S	S	*	*			trans	164.4	117.8	170.1	0	0	0	0	0	111.2
465	L	39.8	Very low	37.4	Very low	185 Å²	185	139.4 Å²	139.4	97%	0.969	77%	0.768	S	S	*	*			trans	-59.3	131.7	169.7	-76.7	129.1	0	0	0	110.8
466	A	30.9	Very low	37.4	Very low	93 Å²	93	138.3 Å²	138.3	77%	0.769	76%	0.761	S	S	*	*			trans	-166.5	140.3	149.1	0	0	0	0	0	112
467	D	36.4	Very low	37.6	Very low	166 Å²	166	133.9 Å²	133.9	89%	0.888	76%	0.755	S	S	*	*			trans	-52.3	140.7	178	-72.8	-56.4	0	0	0	114.6
468	H	31.8	Very low	37.7	Very low	187 Å²	187	130.6 Å²	130.6	87%	0.866	74%	0.737	S	S	*	*			trans	-110.9	99.6	173.8	-113.8	-57	0	0	0	111.7
469	E	32.2	Very low	37.2	Very low	181 Å²	181	132.4 Å²	132.4	85%	0.846	73%	0.73	S	S	*	*			trans	-64.8	131.5	160.5	-81	-173.2	138.6	0	0	110.9	K471	E469-K471 PolarHBondContact O-N 2.91Å; E469-K471 VanDerWaalsContact O-N 3.1Å
470	K	32.2	Very low	37.2	Very low	195 Å²	195	129.4 Å²	129.4	85%	0.848	72%	0.723	S	S	*	*			trans	-68.1	101.6	171.4	-79.9	177	178	172.4	0	110.4	T472	K470-T472 PolarHBondContact O-N 3.3Å; K470-T472 VanDerWaalsContact O-N 3.09Å
471	K	31	Very low	37	Very low	213 Å²	213	127 Å²	127	93%	0.926	72%	0.716	S	S	*	*			trans	-60.3	113.5	165.4	-86.8	-179.1	178.4	173.8	0	109.8	E469	E469-K471 PolarHBondContact O-N 2.91Å; E469-K471 VanDerWaalsContact O-N 3.1Å
472	T	36.8	Very low	37	Very low	76 Å²	76	125.7 Å²	125.7	47%	0.466	71%	0.711	S	S	.	*			trans	-107.2	120.9	174	25.2	0	0	0	0	107.2	R273 K470 T474	R273-T472 VanDerWaalsContact NH1-CG2 3.26Å; R273-T472 PolarHBondContact NH1-OG1 2.74Å; K470-T472 PolarHBondContact O-N 3.3Å; K470-T472 VanDerWaalsContact O-N 3.09Å; T472-T474 PolarHBondContact O-N 3.35Å
473	E	44.2	Very low	37	Very low	138 Å²	138	124.6 Å²	124.6	65%	0.645	71%	0.709	S	S	*	*			trans	-61.9	111.7	174.6	-75	179.6	152.9	0	0	109.3	K239	K239-E473 IonicContact NZ-OE2 3Å; K239-E473 PolarHBondContact NZ-OE2 3.26Å
474	T	45.4	Very low	37	Very low	100 Å²	100	127.4 Å²	127.4	61%	0.613	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-70.8	140.2	171.4	42.1	0	0	0	0	109.1	G272 T472	G272-T474 WeakPolarHBondContact O-CA 3.5Å; T472-T474 PolarHBondContact O-N 3.35Å
475	L	51.9	Low	37	Very low	25 Å²	25	131.8 Å²	131.8	13%	0.131	71%	0.707	C	S	.	*	P	Polyproline II helix	trans	-52.7	147.1	162.8	-68.3	169.8	0	0	0	108.1	L223 L236 L268 G272 R273 N477	L223-L475 HydrophobicContact CD1-CD1 4.41Å; L236-L475 HydrophobicContact CD1-CD2 4.04Å; L236-L475 HydrophobicContact CD2-CD2 3.76Å; L268-L475 HydrophobicContact CD1-CD1 3.91Å; G272-L475 PolarHBondContact O-N 3.21Å; R273-L475 WeakPolarHBondContact O-CD1 3.46Å; L475-N477 PolarHBondContact O-N 3.14Å
476	P	42.8	Very low	36.6	Very low	89 Å²	89	132 Å²	132	58%	0.578	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-48.6	130.6	-179.9	17.3	-30	0	0	0	110.5	I478	P476-I478 HydrophobicContact CB-CG1 4.25Å; P476-I478 HydrophobicContact CG-CD1 4.16Å; P476-I478 HydrophobicContact CG-CG1 4.43Å; P476-I478 WeakPolarHBondContact O-CG1 3.42Å; P476-I478 PolarHBondContact O-N 3Å
477	N	44.1	Very low	36.7	Very low	143 Å²	143	139 Å²	139	77%	0.765	71%	0.712	S	S	*	*			trans	-73.4	91.5	179.6	-161.9	7.7	0	0	0	108.2	L475 D479	L475-N477 PolarHBondContact O-N 3.14Å; N477-D479 VanDerWaalsContact C-N 3.3Å
478	I	46.4	Very low	36.3	Very low	82 Å²	82	140.9 Å²	140.9	42%	0.421	71%	0.713	S	S	.	*			trans	-85.8	0.8	-173.2	-65.4	162.2	0	0	0	112	P476 S480	P476-I478 HydrophobicContact CB-CG1 4.25Å; P476-I478 HydrophobicContact CG-CD1 4.16Å; P476-I478 HydrophobicContact CG-CG1 4.43Å; P476-I478 WeakPolarHBondContact O-CG1 3.42Å; P476-I478 PolarHBondContact O-N 3Å; I478-S480 PolarHBondContact O-N 3.06Å
479	D	37.3	Very low	36.1	Very low	107 Å²	107	141.8 Å²	141.8	57%	0.572	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-87.9	7.7	-171.7	-86.5	-23.3	0	0	0	116.7	N477 N481	N477-D479 VanDerWaalsContact C-N 3.3Å; D479-N481 VanDerWaalsContact C-N 3.33Å; D479-N481 PolarHBondContact O-N 3.31Å
480	S	35.9	Very low	36.5	Very low	102 Å²	102	146.7 Å²	146.7	71%	0.713	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-81.3	2.7	-178.6	50.4	0	0	0	0	116.4	I478	I478-S480 PolarHBondContact O-N 3.06Å
481	N	32.3	Very low	36.7	Very low	137 Å²	137	144.3 Å²	144.3	73%	0.733	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-131.8	11.4	-179.1	-85.1	-38.5	0	0	0	116.2	D479	D479-N481 VanDerWaalsContact C-N 3.33Å; D479-N481 PolarHBondContact O-N 3.31Å
482	A	34.8	Very low	37	Very low	76 Å²	76	140.6 Å²	140.6	63%	0.628	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-4.3	-179.3	0	0	0	0	0	115
483	N	30.3	Very low	37	Very low	161 Å²	161	144.2 Å²	144.2	86%	0.861	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	12.2	-174.2	-87	-24.3	0	0	0	116.2
484	I	32.3	Very low	36.6	Very low	143 Å²	143	144.6 Å²	144.6	73%	0.733	74%	0.735	S	S	*	*	S	Bend	trans	-113.9	12.8	-178.8	-65	175.6	0	0	0	113.8
485	L	28.7	Very low	36	Very low	169 Å²	169	147.4 Å²	147.4	89%	0.885	74%	0.743	S	S	*	*	S	Bend	trans	-136.7	45	176.4	-145.3	77.2	0	0	0	115
486	M	30.2	Very low	35	Very low	190 Å²	190	155.5 Å²	155.5	94%	0.936	78%	0.784	S	S	*	*	S	Bend	trans	-137	34.7	167.5	-85.9	-79.7	-156.1	0	0	111.5
487	R	33.3	Very low	34.4	Very low	239 Å²	239	160.3 Å²	160.3	90%	0.902	80%	0.799	S	S	*	*	S	Bend	trans	-139.5	79.7	165.5	-80.1	-171.7	177.5	178.5	-0.5	109.4
488	K	28.1	Very low	33.7	Very low	206 Å²	206	161.6 Å²	161.6	90%	0.896	80%	0.801	S	S	*	*			trans	172.2	92.4	149.2	-97.8	169.1	-175.8	-174.9	0	108.6
489	K	28.6	Very low	32.6	Very low	206 Å²	206	168.3 Å²	168.3	90%	0.896	83%	0.833	S	S	*	*				170.8	124.4	117.9	-92.7	177.3	178.3	-173.1	0	108.9
490	F	39.7	Very low	32.2	Very low	283 Å²	283	173.8 Å²	173.8	100%	1.241	86%	0.857	S	S	*	*			trans	-54.4	0	148	-79.9	-89	0	0	0	109.7

Retrieved 490 of 490 residues in 719.4 ms (Link to these results)

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