A0A096MRP6_PAPAN Loading...

Plasma protease C1 inhibitor

Serine protease inhibitor, which acrs as a regulator of the classical complement pathway. Forms a proteolytically inactive stoichiometric complex with the C1r or C1s proteases. May also regulate blood coagulation, fibrinolysis and the generation of kinins. Very efficient inhibitor of FXIIa. Inhibits chymotrypsin and kallikrein.

AlphaFold DB , UniProt , Accession A0A096MRP6, Species PAPAN (Papio anubis, Olive baboon), Gene SERPING1, Length 547 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	37.6	Very low	247 Å²	247	136.7 Å²	136.7	100%	1.217	89%	0.887	S	S	*	*				0	130.6	0	-78.4	169.2	157.7	0	0	108.2
2	G	35	Very low	37.1	Very low	84 Å²	84	147.8 Å²	147.8	87%	0.866	90%	0.898	S	S	*	*			trans	57.8	149.7	164.4	0	0	0	0	0	118.9
3	A	37.1	Very low	36.9	Very low	104 Å²	104	143.5 Å²	143.5	86%	0.86	89%	0.888	S	S	*	*			cis	-156	146.9	-22.2	0	0	0	0	0	107.6
4	G	33.4	Very low	37.5	Very low	72 Å²	72	141.1 Å²	141.1	74%	0.742	88%	0.875	S	S	*	*			trans	-99	-161.3	166	0	0	0	0	0	111.3
5	P	56.8	Low	36.9	Very low	133 Å²	133	146.4 Å²	146.4	86%	0.864	87%	0.872	S	S	*	*			cis	-138	-179.7	3.8	40.6	-22.2	0	0	0	116.1
6	R	39.3	Very low	36.6	Very low	236 Å²	236	148.1 Å²	148.1	89%	0.891	87%	0.874	S	S	*	*			trans	-82.6	155.6	169.2	-61.7	173.2	170.7	-174	-4	112.9
7	R	36.6	Very low	36	Very low	257 Å²	257	144.1 Å²	144.1	97%	0.97	87%	0.872	S	S	*	*			trans	171.7	149.2	143.8	-94.6	163.5	-162.4	-118.2	6.6	107.1
8	G	32.2	Very low	36.1	Very low	83 Å²	83	142.5 Å²	142.5	86%	0.856	88%	0.876	S	S	*	*			cis	-148	-164.2	-10.7	0	0	0	0	0	107.6
9	G	31.9	Very low	35.8	Very low	86 Å²	86	139.2 Å²	139.2	89%	0.887	87%	0.873	S	S	*	*			cis	129.9	89.3	4.1	0	0	0	0	0	112.4
10	G	30.7	Very low	35.9	Very low	77 Å²	77	138.2 Å²	138.2	79%	0.794	87%	0.871	S	S	*	*			trans	120.6	134.4	164.8	0	0	0	0	0	116.3
11	P	44.8	Very low	35.9	Very low	125 Å²	125	138.6 Å²	138.6	81%	0.812	87%	0.867	S	S	*	*			trans	-101.8	164.6	-177.3	39.2	-34.4	0	0	0	114
12	W	31.4	Very low	36	Very low	269 Å²	269	133.9 Å²	133.9	100%	1.019	85%	0.852	S	S	*	*			trans	-116.4	130.2	164.9	-96.4	31.9	0	0	0	111.4
13	A	34.5	Very low	36.4	Very low	93 Å²	93	132.3 Å²	132.3	77%	0.769	84%	0.837	S	S	*	*			trans	-142.6	149.4	158.5	0	0	0	0	0	105.7
14	P	45.4	Very low	36.4	Very low	109 Å²	109	138 Å²	138	71%	0.708	84%	0.836	S	S	*	*				-156.3	167.5	87.9	40.3	-21.5	0	0	0	117.9
15	R	28.9	Very low	36.7	Very low	221 Å²	221	142.7 Å²	142.7	83%	0.834	84%	0.843	S	S	*	*			trans	68.1	111.7	157.2	-68.6	159.7	-163.4	-102	2.1	117.4
16	L	31	Very low	36	Very low	173 Å²	173	144.2 Å²	144.2	91%	0.906	84%	0.838	S	S	*	*				79.4	97.2	59.6	-70.6	167.1	0	0	0	113.9
17	G	27.8	Very low	36.3	Very low	80 Å²	80	143.2 Å²	143.2	83%	0.825	84%	0.835	S	S	*	*			trans	-127	137.5	152.7	0	0	0	0	0	108.1
18	A	36.6	Very low	36.7	Very low	116 Å²	116	135.8 Å²	135.8	96%	0.959	82%	0.822	S	S	*	*			trans	-86.7	148	-172.5	0	0	0	0	0	112.7
19	G	31.1	Very low	37.2	Very low	79 Å²	79	134.8 Å²	134.8	81%	0.814	81%	0.805	S	S	*	*			trans	-168.7	110.5	172.4	0	0	0	0	0	110.1
20	S	37.6	Very low	37.8	Very low	119 Å²	119	136 Å²	136	83%	0.832	79%	0.792	S	S	*	*			trans	-87.8	131.1	-178	52.1	0	0	0	0	111.5
21	D	34.9	Very low	38.7	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	78%	0.778	S	S	*	*			trans	-140.5	94.9	172.6	-134.6	-16.7	0	0	0	112
22	T	38.4	Very low	38.6	Very low	148 Å²	148	133.4 Å²	133.4	91%	0.908	77%	0.765	S	S	*	*			trans	-122.9	82.8	169.6	51.2	0	0	0	0	108.4
23	G	44.4	Very low	39.2	Very low	52 Å²	52	123.5 Å²	123.5	54%	0.536	74%	0.74	S	S	.	*			trans	-145.3	11.7	-164.2	0	0	0	0	0	117.8
24	W	37.3	Very low	39.7	Very low	222 Å²	222	126 Å²	126	84%	0.841	74%	0.736	S	S	*	*	S	Bend	trans	-128.9	0.9	-169.5	-83.9	98.1	0	0	0	118.3
25	L	39.8	Very low	39.6	Very low	172 Å²	172	126.9 Å²	126.9	90%	0.901	73%	0.732	S	S	*	*	S	Bend	trans	-108	-2.1	-179.8	-80.4	167.2	0	0	0	116.1
26	H	42.2	Very low	40.3	Very low	164 Å²	164	119.4 Å²	119.4	76%	0.759	72%	0.717	S	S	*	*	S	Bend	trans	-101.5	-11.7	179.1	-94.9	-34.1	0	0	0	116.3
27	R	44.3	Very low	41	Very low	216 Å²	216	114.6 Å²	114.6	82%	0.815	70%	0.698	S	S	*	*	H	α-helix	trans	-85.2	-10.2	-177.8	-75.9	-169.2	177.5	-151.8	0.1	116.1
28	S	45.2	Very low	42	Very low	101 Å²	101	120.5 Å²	120.5	71%	0.706	70%	0.696	S	S	*	*	H	α-helix	trans	-90.6	-15.2	-179.3	-54.8	0	0	0	0	114.2
29	A	43	Very low	42.5	Very low	61 Å²	61	120.7 Å²	120.7	50%	0.504	68%	0.68	S	S	.	*	H	α-helix	trans	-83.1	-44.1	-179.2	0	0	0	0	0	112.8	V31 A32 A33	A29-V31 VanDerWaalsContact C-N 3.35Å; A29-V31 PolarHBondContact O-N 2.66Å; A29-A32 PolarHBondContact O-N 3.3Å; A29-A33 PolarHBondContact O-N 2.93Å
30	D	44.8	Very low	43.8	Very low	113 Å²	113	121.2 Å²	121.2	60%	0.604	67%	0.667	S	S	*	*	H	α-helix	trans	-66.7	-33.2	-175.2	-73	-37.1	0	0	0	113.5	A32 A33 Q34	D30-A32 VanDerWaalsContact C-N 3.34Å; D30-A32 PolarHBondContact O-N 2.92Å; D30-A33 PolarHBondContact O-N 3.36Å; D30-Q34 PolarHBondContact O-N 2.86Å; D30-Q34 VanDerWaalsContact O-N 3.11Å
31	V	49.1	Very low	44.4	Very low	83 Å²	83	121.3 Å²	121.3	50%	0.503	66%	0.658	S	S	.	*	H	α-helix	trans	-67.9	-35.2	178.4	-177.4	0	0	0	0	111.3	A29 M35	A29-V31 VanDerWaalsContact C-N 3.35Å; A29-V31 PolarHBondContact O-N 2.66Å; V31-M35 HydrophobicContact CG1-CE 4.14Å; V31-M35 PolarHBondContact O-N 3.25Å
32	A	43.2	Very low	44.9	Very low	64 Å²	64	119.9 Å²	119.9	53%	0.529	65%	0.65	S	S	.	*	H	α-helix	trans	-69.8	-41.2	175.8	0	0	0	0	0	111.9	A29 D30 Q34 M35 A36	A29-A32 PolarHBondContact O-N 3.3Å; D30-A32 VanDerWaalsContact C-N 3.34Å; D30-A32 PolarHBondContact O-N 2.92Å; A32-Q34 PolarHBondContact O-N 2.97Å; A32-M35 PolarHBondContact O-N 2.9Å; A32-A36 PolarHBondContact O-N 3.31Å
33	A	43	Very low	45.3	Very low	60 Å²	60	116.7 Å²	116.7	50%	0.496	63%	0.63	S	S	.	*	H	α-helix	trans	-62.3	-39.9	177	0	0	0	0	0	112.5	A29 D30 A36 S37	A29-A33 PolarHBondContact O-N 2.93Å; D30-A33 PolarHBondContact O-N 3.36Å; A33-A36 PolarHBondContact O-N 3.29Å; A33-S37 PolarHBondContact O-N 3.22Å
34	Q	45	Very low	45.3	Very low	147 Å²	147	119.4 Å²	119.4	69%	0.687	63%	0.632	S	S	*	*	H	α-helix	trans	-74.1	-23.4	178.5	-80.8	-177.3	-13.7	0	0	114.6	D30 A32	D30-Q34 PolarHBondContact O-N 2.86Å; D30-Q34 VanDerWaalsContact O-N 3.11Å; A32-Q34 PolarHBondContact O-N 2.97Å
35	M	43.8	Very low	45.6	Very low	126 Å²	126	113.9 Å²	113.9	62%	0.621	62%	0.618	S	S	*	*	H	α-helix	trans	-74.3	-44.2	169.3	-69.2	-160.6	-158	0	0	111.9	V31 A32 S37 R38 L39	V31-M35 HydrophobicContact CG1-CE 4.14Å; V31-M35 PolarHBondContact O-N 3.25Å; A32-M35 PolarHBondContact O-N 2.9Å; M35-S37 VanDerWaalsContact C-N 3.31Å; M35-S37 PolarHBondContact O-N 3.17Å; M35-R38 PolarHBondContact O-N 2.89Å; M35-R38 VanDerWaalsContact O-N 3.12Å; M35-L39 WeakPolarHBondContact O-CD1 3.44Å; M35-L39 PolarHBondContact O-N 2.91Å
36	A	43.7	Very low	45.9	Very low	64 Å²	64	111.2 Å²	111.2	53%	0.529	60%	0.604	S	S	.	*	H	α-helix	trans	-59.3	-39.9	-179.1	0	0	0	0	0	112.7	A32 A33 R38 L39	A32-A36 PolarHBondContact O-N 3.31Å; A33-A36 PolarHBondContact O-N 3.29Å; A36-R38 VanDerWaalsContact C-N 3.27Å; A36-R38 PolarHBondContact O-N 2.9Å; A36-L39 PolarHBondContact O-N 2.78Å
37	S	45.8	Very low	45.9	Very low	73 Å²	73	109.6 Å²	109.6	51%	0.51	60%	0.6	S	S	.	*	H	α-helix	trans	-66.4	-23	178.4	-179.1	0	0	0	0	114.2	A33 M35 T40	A33-S37 PolarHBondContact O-N 3.22Å; M35-S37 VanDerWaalsContact C-N 3.31Å; M35-S37 PolarHBondContact O-N 3.17Å; S37-T40 PolarHBondContact O-OG1 3.32Å
38	R	48.5	Very low	45.8	Very low	204 Å²	204	105.4 Å²	105.4	77%	0.77	59%	0.593	S	S	*	*	H	α-helix	trans	-85.7	-26.5	178.2	-72.5	-173.8	176.1	-125.3	0	113.7	M35 A36 L42	M35-R38 PolarHBondContact O-N 2.89Å; M35-R38 VanDerWaalsContact O-N 3.12Å; A36-R38 VanDerWaalsContact C-N 3.27Å; A36-R38 PolarHBondContact O-N 2.9Å; R38-L42 PolarHBondContact O-N 3.49Å
39	L	48.4	Very low	45.9	Very low	120 Å²	120	107.3 Å²	107.3	63%	0.628	60%	0.595	S	S	*	*	H	α-helix	trans	-69.8	-38	177	-89.9	82.4	0	0	0	112.3	M35 A36 L42 T43	M35-L39 WeakPolarHBondContact O-CD1 3.44Å; M35-L39 PolarHBondContact O-N 2.91Å; A36-L39 PolarHBondContact O-N 2.78Å; L39-L42 PolarHBondContact O-N 3.19Å; L39-T43 PolarHBondContact O-N 3.21Å; L39-T43 VanDerWaalsContact O-N 3.16Å; L39-T43 PolarHBondContact O-OG1 3.47Å; L39-T43 VanDerWaalsContact O-OG1 3.08Å
40	T	57.6	Low	45.9	Very low	89 Å²	89	108.7 Å²	108.7	55%	0.546	61%	0.606	S	S	.	*	H	α-helix	trans	-68.7	-38.9	-177.9	50.2	0	0	0	0	112.9	S37 T43 L44	S37-T40 PolarHBondContact O-OG1 3.32Å; T40-T43 WeakPolarHBondContact CA-OG1 3.16Å; T40-T43 PolarHBondContact O-N 2.84Å; T40-T43 PolarHBondContact O-OG1 2.93Å; T40-L44 PolarHBondContact O-N 3.27Å
41	L	49.2	Very low	45.7	Very low	122 Å²	122	106.2 Å²	106.2	64%	0.639	61%	0.607	S	S	*	*	H	α-helix	trans	-65.1	-38.3	174.8	-102.4	156.2	0	0	0	112.6	L44 L45	L41-L44 PolarHBondContact O-N 3.47Å; L41-L45 PolarHBondContact O-N 3.28Å
42	L	45.5	Very low	44.8	Very low	117 Å²	117	109.3 Å²	109.3	61%	0.613	62%	0.621	S	S	*	*	H	α-helix	trans	-68.9	-38.4	178.1	-150.7	82.3	0	0	0	111.9	R38 L39 L45 L46	R38-L42 PolarHBondContact O-N 3.49Å; L39-L42 PolarHBondContact O-N 3.19Å; L42-L45 PolarHBondContact O-N 3.47Å; L42-L46 PolarHBondContact O-N 2.86Å; L42-L46 VanDerWaalsContact O-N 3.16Å
43	T	48.4	Very low	44.2	Very low	81 Å²	81	118.3 Å²	118.3	50%	0.497	64%	0.641	S	S	.	*	H	α-helix	trans	-68.7	-34.7	174.1	44.3	0	0	0	0	112.9	L39 T40 L46 L47	L39-T43 PolarHBondContact O-N 3.21Å; L39-T43 VanDerWaalsContact O-N 3.16Å; L39-T43 PolarHBondContact O-OG1 3.47Å; L39-T43 VanDerWaalsContact O-OG1 3.08Å; T40-T43 WeakPolarHBondContact CA-OG1 3.16Å; T40-T43 PolarHBondContact O-N 2.84Å; T40-T43 PolarHBondContact O-OG1 2.93Å; T43-L46 PolarHBondContact O-N 3.14Å; T43-L47 PolarHBondContact O-N 3.27Å
44	L	43.6	Very low	43.5	Very low	108 Å²	108	120.1 Å²	120.1	57%	0.565	66%	0.656	S	S	*	*	H	α-helix	trans	-67.8	-38.9	175.5	-144.7	79.1	0	0	0	111.7	T40 L41 L47 L48	T40-L44 PolarHBondContact O-N 3.27Å; L41-L44 PolarHBondContact O-N 3.47Å; L44-L47 PolarHBondContact O-N 2.9Å; L44-L48 PolarHBondContact O-N 3.07Å; L44-L48 VanDerWaalsContact O-N 3.1Å
45	L	43.2	Very low	42.8	Very low	107 Å²	107	118.5 Å²	118.5	56%	0.56	66%	0.662	S	S	*	*	H	α-helix	trans	-66.6	-36.2	177.3	-157.4	78.1	0	0	0	112.3	L41 L42 L48 L49	L41-L45 PolarHBondContact O-N 3.28Å; L42-L45 PolarHBondContact O-N 3.47Å; L45-L48 PolarHBondContact O-N 2.96Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 2.67Å
46	L	45.4	Very low	42.2	Very low	116 Å²	116	117.9 Å²	117.9	61%	0.607	67%	0.669	S	S	*	*	H	α-helix	trans	-68.5	-32.7	175.2	-79.9	162.9	0	0	0	113	L42 T43	L42-L46 PolarHBondContact O-N 2.86Å; L42-L46 VanDerWaalsContact O-N 3.16Å; T43-L46 PolarHBondContact O-N 3.14Å
47	L	42.7	Very low	41.7	Very low	129 Å²	129	122.2 Å²	122.2	68%	0.675	68%	0.684	S	S	*	*	H	α-helix	trans	-73.1	-36.9	174.6	-77.8	161.9	0	0	0	112.4	T43 L44 L49 A50	T43-L47 PolarHBondContact O-N 3.27Å; L44-L47 PolarHBondContact O-N 2.9Å; L47-L49 VanDerWaalsContact C-N 3.35Å; L47-A50 PolarHBondContact O-N 3.24Å
48	L	43.4	Very low	41.8	Very low	128 Å²	128	123.6 Å²	123.6	67%	0.67	69%	0.691	S	S	*	*	H	α-helix	trans	-70.4	-26.9	176.7	-76.3	163.5	0	0	0	113.6	L44 L45	L44-L48 PolarHBondContact O-N 3.07Å; L44-L48 VanDerWaalsContact O-N 3.1Å; L45-L48 PolarHBondContact O-N 2.96Å
49	L	45.6	Very low	40.8	Very low	142 Å²	142	121.2 Å²	121.2	74%	0.743	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-8.7	176.9	-70.8	171.1	0	0	0	114.1	L45 L47	L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 2.67Å; L47-L49 VanDerWaalsContact C-N 3.35Å
50	A	43.6	Very low	39.9	Very low	89 Å²	89	120.5 Å²	120.5	74%	0.736	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-1	178.6	0	0	0	0	0	113.6	L47	L47-A50 PolarHBondContact O-N 3.24Å
51	G	40.2	Very low	38.5	Very low	61 Å²	61	122.7 Å²	122.7	63%	0.629	72%	0.719	S	S	*	*	S	Bend	trans	-132.6	46.5	-163.5	0	0	0	0	0	116
52	D	30.3	Very low	37.5	Very low	149 Å²	149	122.2 Å²	122.2	80%	0.797	73%	0.725	S	S	*	*			trans	-155.6	106.2	156.3	-151.1	-13.8	0	0	0	114
53	R	31.1	Very low	36.7	Very low	252 Å²	252	121 Å²	121	95%	0.951	73%	0.727	S	S	*	*			trans	-163.4	61.5	159.6	-136.7	177.8	-169.4	-178.3	3.4	114.8
54	A	27.9	Very low	35.8	Very low	98 Å²	98	122.7 Å²	122.7	81%	0.81	74%	0.741	S	S	*	*			trans	-158.8	108.4	156.6	0	0	0	0	0	113.5
55	S	30.2	Very low	34.9	Very low	114 Å²	114	121.9 Å²	121.9	80%	0.797	75%	0.745	S	S	*	*			trans	-151.9	139.7	167.3	174.5	0	0	0	0	106.1
56	S	31.6	Very low	34.1	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	76%	0.762	S	S	*	*			cis	-154.1	175.2	2.9	16.1	0	0	0	0	111.4
57	N	32.9	Very low	33.2	Very low	155 Å²	155	129.9 Å²	129.9	83%	0.829	77%	0.771	S	S	*	*			trans	-58.2	174.6	179	-115.2	-6.2	0	0	0	115.2
58	P	47.6	Very low	33.8	Very low	102 Å²	102	128.9 Å²	128.9	66%	0.662	77%	0.772	S	S	*	*			cis	-152.2	-174.8	40.5	43.6	-21.7	0	0	0	120.1
59	N	28.6	Very low	33.1	Very low	155 Å²	155	131 Å²	131	83%	0.829	78%	0.779	S	S	*	*			trans	78.3	110.6	159.5	-68.8	-6	0	0	0	120.8
60	A	28.4	Very low	32.2	Very low	105 Å²	105	128.1 Å²	128.1	87%	0.868	77%	0.771	S	S	*	*				-171.5	167.8	107.6	0	0	0	0	0	112
61	T	28.6	Very low	31.4	Very low	135 Å²	135	131.1 Å²	131.1	83%	0.828	77%	0.773	S	S	*	*			trans	-99.5	166.9	-161.2	-27.3	0	0	0	0	114.4
62	S	28.6	Very low	30.9	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	78%	0.782	S	S	*	*			trans	74.1	164.3	156.3	88	0	0	0	0	118.2
63	S	28.1	Very low	30.7	Very low	93 Å²	93	138 Å²	138	65%	0.65	78%	0.784	S	S	*	*			cis	-176.4	150.3	-48.2	56	0	0	0	0	108.6
64	S	29.3	Very low	30.5	Very low	115 Å²	115	129.9 Å²	129.9	80%	0.804	78%	0.779	S	S	*	*			trans	66.9	158.3	168.8	80.5	0	0	0	0	116
65	S	26.7	Very low	30.5	Very low	91 Å²	91	131 Å²	131	64%	0.636	78%	0.781	S	S	*	*			cis	-176	143.5	-19	45	0	0	0	0	111.3
66	W	24.5	Very low	30.6	Very low	241 Å²	241	134.7 Å²	134.7	91%	0.913	79%	0.785	S	S	*	*			trans	69.5	107.8	152.1	-63.2	26.9	0	0	0	120.5
67	D	26.9	Very low	30.3	Very low	151 Å²	151	133.2 Å²	133.2	81%	0.807	79%	0.788	S	S	*	*				25.7	162.3	103.7	-76.3	-9.9	0	0	0	121.8
68	P	55.9	Low	30.1	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	79%	0.791	S	S	*	*			cis	-146.2	-151	-26.7	36.6	-12.4	0	0	0	114.6
69	E	28.5	Very low	29.1	Very low	173 Å²	173	138.2 Å²	138.2	81%	0.808	80%	0.798	S	S	*	*			trans	83.2	153.2	160.2	-71.4	-162.6	92.3	0	0	122
70	S	26.9	Very low	28.9	Very low	82 Å²	82	135 Å²	135	57%	0.573	79%	0.792	S	S	*	*			cis	-171.9	-173.8	-29.8	60.3	0	0	0	0	110.3
71	L	26.2	Very low	28.8	Very low	152 Å²	152	136.5 Å²	136.5	80%	0.796	79%	0.791	S	S	*	*			trans	80.9	120.4	177.7	-50	172.2	0	0	0	116.1
72	Q	29.2	Very low	28.7	Very low	174 Å²	174	134.5 Å²	134.5	81%	0.813	79%	0.788	S	S	*	*			cis	77.6	132.3	28.7	-142.3	177.1	-29.1	0	0	111.8
73	E	27.4	Very low	28.7	Very low	180 Å²	180	136.5 Å²	136.5	84%	0.841	79%	0.79	S	S	*	*			cis	-130.5	170.1	22.1	-64.1	169.7	118.8	0	0	112.2
74	G	26.5	Very low	28.6	Very low	82 Å²	82	139.7 Å²	139.7	85%	0.845	80%	0.8	S	S	*	*				87.3	139.1	74.3	0	0	0	0	0	112.1
75	S	28.4	Very low	28.5	Very low	120 Å²	120	140.3 Å²	140.3	84%	0.839	80%	0.804	S	S	*	*			cis	-157.3	-171.5	11.8	-168.2	0	0	0	0	112.1
76	E	31.4	Very low	28.5	Very low	192 Å²	192	145.5 Å²	145.5	90%	0.897	82%	0.815	S	S	*	*			trans	-81.3	166.8	-162	-50.6	173.6	109.8	0	0	118.1
77	G	25.6	Very low	28.5	Very low	81 Å²	81	142.5 Å²	142.5	84%	0.835	81%	0.814	S	S	*	*			trans	178.7	123.6	162	0	0	0	0	0	114.8
78	K	28.1	Very low	28.4	Very low	205 Å²	205	143.3 Å²	143.3	89%	0.891	82%	0.817	S	S	*	*			trans	-100.9	170.5	-175.9	-71.4	178.8	177.3	170.9	0	114
79	I	26.8	Very low	26.9	Very low	157 Å²	157	146.5 Å²	146.5	81%	0.805	82%	0.82	S	S	*	*			trans	96.7	89.7	152.9	-45.8	-171.3	0	0	0	118.1
80	A	25.9	Very low	26.8	Very low	87 Å²	87	146.1 Å²	146.1	72%	0.719	82%	0.822	S	S	*	*				48.9	150.1	119.8	0	0	0	0	0	124.7
81	V	25.3	Very low	26.7	Very low	138 Å²	138	150.2 Å²	150.2	84%	0.836	83%	0.832	S	S	*	*			trans	111.5	127.5	148.1	-176.1	0	0	0	0	118.5
82	A	25.9	Very low	26.7	Very low	93 Å²	93	148.3 Å²	148.3	77%	0.769	83%	0.831	S	S	*	*			trans	77	124	155.5	0	0	0	0	0	122.2
83	N	29.5	Very low	26.6	Very low	152 Å²	152	147.8 Å²	147.8	81%	0.813	83%	0.833	S	S	*	*			trans	-54.1	143.2	155.7	-76.5	-27.1	0	0	0	112.3
84	N	25.2	Very low	26.6	Very low	160 Å²	160	147.2 Å²	147.2	86%	0.856	84%	0.835	S	S	*	*			trans	-167	89.2	139.4	-103.7	-24.3	0	0	0	111.1	K86	N84-K86 PolarHBondContact O-N 3.1Å; N84-K86 VanDerWaalsContact O-N 3.16Å
85	S	27.2	Very low	26.5	Very low	129 Å²	129	152.8 Å²	152.8	90%	0.902	84%	0.839	S	S	*	*			trans	-83.8	85.2	170.9	-59.3	0	0	0	0	110
86	K	26.3	Very low	26.4	Very low	199 Å²	199	152.2 Å²	152.2	87%	0.865	84%	0.841	S	S	*	*			trans	-71.7	126.5	167.8	-102	-177.3	175.8	179.9	0	110	N84	N84-K86 PolarHBondContact O-N 3.1Å; N84-K86 VanDerWaalsContact O-N 3.16Å
87	M	24.8	Very low	26.2	Very low	179 Å²	179	148.9 Å²	148.9	88%	0.882	84%	0.839	S	S	*	*			trans	-65.6	136.9	170.1	-172.3	176.1	-178.7	0	0	110.1
88	L	25.5	Very low	26.3	Very low	167 Å²	167	150.7 Å²	150.7	87%	0.874	84%	0.839	S	S	*	*			trans	-129	145.1	167.7	-92.3	172.8	0	0	0	110.6
89	F	24	Very low	26.2	Very low	174 Å²	174	149 Å²	149	76%	0.763	84%	0.838	S	S	*	*			trans	-74.4	156	-170.8	-80.5	-115.8	0	0	0	113.2
90	I	26.2	Very low	26.5	Very low	165 Å²	165	146.8 Å²	146.8	85%	0.846	83%	0.834	S	S	*	*			trans	-129.9	119.3	139.7	-65	-175.5	0	0	0	107.6
91	E	25.4	Very low	26.5	Very low	168 Å²	168	149.1 Å²	149.1	79%	0.785	84%	0.84	S	S	*	*			trans	-79.7	148.8	168.1	-66	173	113.6	0	0	110.5
92	S	26.9	Very low	26.6	Very low	112 Å²	112	149 Å²	149	78%	0.783	84%	0.84	S	S	*	*			trans	-149.3	87.8	154.8	38.4	0	0	0	0	111.3
93	I	27.3	Very low	26.7	Very low	163 Å²	163	152.3 Å²	152.3	84%	0.836	84%	0.844	S	S	*	*			trans	34.9	127.9	135.1	-60.5	176.4	0	0	0	119.1
94	L	25.7	Very low	26.6	Very low	169 Å²	169	150.4 Å²	150.4	89%	0.885	84%	0.843	S	S	*	*			trans	-66.9	143.6	168.6	-64.8	138.6	0	0	0	113.1
95	E	25.2	Very low	26.7	Very low	199 Å²	199	149.4 Å²	149.4	93%	0.93	84%	0.843	S	S	*	*			trans	-128.8	134.9	144	-81	-165	146.9	0	0	110.2
96	A	25.6	Very low	26.7	Very low	108 Å²	108	149.9 Å²	149.9	89%	0.893	84%	0.841	S	S	*	*			trans	-94.9	142.3	-178.3	0	0	0	0	0	110.8
97	S	27.6	Very low	26.7	Very low	122 Å²	122	147.9 Å²	147.9	85%	0.853	84%	0.84	S	S	*	*			trans	-121.2	123.5	163.8	50.6	0	0	0	0	110
98	S	27.1	Very low	26.8	Very low	118 Å²	118	145.2 Å²	145.2	83%	0.825	84%	0.838	S	S	*	*			trans	-85.7	139.3	-178.9	46.8	0	0	0	0	111.2
99	L	27.7	Very low	26.9	Very low	169 Å²	169	142.6 Å²	142.6	89%	0.885	83%	0.834	S	S	*	*			trans	-129.5	136.1	162.8	-83.6	168	0	0	0	109.3
100	P	32.9	Very low	27	Very low	111 Å²	111	140.9 Å²	140.9	72%	0.721	84%	0.838	S	S	*	*			trans	-86.7	149	-164.7	33.3	-36	0	0	0	114
101	T	25.3	Very low	27	Very low	136 Å²	136	141.5 Å²	141.5	83%	0.834	84%	0.835	S	S	*	*			trans	-66.1	141.4	162.7	32.5	0	0	0	0	111.6
102	T	27	Very low	27.1	Very low	136 Å²	136	141.8 Å²	141.8	83%	0.834	84%	0.84	S	S	*	*			trans	-133.2	122.9	160	42.8	0	0	0	0	109.9
103	N	28.6	Very low	27	Very low	162 Å²	162	141.3 Å²	141.3	87%	0.866	83%	0.832	S	S	*	*			trans	-86.5	139.9	166.8	-75.9	-22.3	0	0	0	108.9
104	S	27.1	Very low	27	Very low	113 Å²	113	137.4 Å²	137.4	79%	0.79	82%	0.824	S	S	*	*			trans	-155.1	106	151.8	59.5	0	0	0	0	111.9
105	T	27.1	Very low	27	Very low	139 Å²	139	136.1 Å²	136.1	85%	0.853	82%	0.819	S	S	*	*			trans	-81.6	129.2	155.9	19.6	0	0	0	0	109.3
106	T	27.3	Very low	27.1	Very low	139 Å²	139	132.2 Å²	132.2	85%	0.853	81%	0.808	S	S	*	*			trans	-158.6	138.3	150.6	19.1	0	0	0	0	111.4
107	N	27.3	Very low	27.2	Very low	157 Å²	157	132.6 Å²	132.6	84%	0.84	80%	0.8	S	S	*	*			trans	-68.4	152.9	172.6	-61.6	-41.3	0	0	0	112
108	S	27.1	Very low	27.2	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	80%	0.798	S	S	*	*			trans	-152.4	127.1	135.1	55.8	0	0	0	0	111.1
109	S	25.8	Very low	27.3	Very low	112 Å²	112	136.9 Å²	136.9	78%	0.783	80%	0.798	S	S	*	*			trans	-114.3	131	175.7	-52.1	0	0	0	0	109.9
110	T	27.6	Very low	28.3	Very low	139 Å²	139	133.5 Å²	133.5	85%	0.853	79%	0.786	S	S	*	*			trans	-144.9	101.7	162.8	42.5	0	0	0	0	105.2
111	K	25.6	Very low	27.9	Very low	178 Å²	178	135 Å²	135	77%	0.774	79%	0.793	S	S	*	*				61.7	78.1	51.6	-147.6	-176.6	-172.3	-178.1	0	112.7
112	I	27.3	Very low	28.2	Very low	174 Å²	174	134.7 Å²	134.7	89%	0.892	79%	0.792	S	S	*	*			trans	-90.1	142.2	147.1	-65	-179.4	0	0	0	106.8
113	T	24.2	Very low	28.2	Very low	101 Å²	101	136.6 Å²	136.6	62%	0.62	79%	0.791	S	S	*	*			trans	-129.9	167.1	-171.2	-52.2	0	0	0	0	109.4
114	A	27.8	Very low	29.4	Very low	82 Å²	82	133.7 Å²	133.7	68%	0.678	78%	0.781	S	S	*	*			trans	90.9	132.7	170.5	0	0	0	0	0	116
115	N	25.7	Very low	29.4	Very low	142 Å²	142	135.6 Å²	135.6	76%	0.759	79%	0.788	S	S	*	*			cis	-147.4	143.3	-9.7	-91.7	-21.1	0	0	0	107.5
116	T	26.9	Very low	29.6	Very low	116 Å²	116	133.6 Å²	133.6	71%	0.712	79%	0.785	S	S	*	*				53.2	116.3	86.6	-18.4	0	0	0	0	111.8
117	T	27.4	Very low	29.8	Very low	116 Å²	116	135.8 Å²	135.8	71%	0.712	79%	0.786	S	S	*	*				176.6	153.4	82.3	-75.4	0	0	0	0	106
118	D	27.9	Very low	30.8	Very low	155 Å²	155	133.1 Å²	133.1	83%	0.829	78%	0.777	S	S	*	*			cis	-140.9	-163	25.7	-141.4	-47.3	0	0	0	113
119	E	29.6	Very low	30.7	Very low	176 Å²	176	134.1 Å²	134.1	82%	0.822	78%	0.779	S	S	*	*			trans	-120.4	-162.7	-169.8	-127.4	-154.1	134.3	0	0	114.1
120	P	48.9	Very low	30.9	Very low	98 Å²	98	135 Å²	135	64%	0.636	78%	0.779	S	S	*	*			trans	-123.2	-165.7	-144	41.5	-20.6	0	0	0	114.9
121	T	25	Very low	30.8	Very low	141 Å²	141	137 Å²	137	87%	0.865	78%	0.779	S	S	*	*			trans	-152	164.2	161	-20.4	0	0	0	0	113.9
122	T	30.1	Very low	32.2	Very low	130 Å²	130	133 Å²	133	80%	0.798	77%	0.771	S	S	*	*			trans	-101.2	159.5	-150.4	47.1	0	0	0	0	118.4
123	Q	28	Very low	32.2	Very low	177 Å²	177	131.5 Å²	131.5	83%	0.827	77%	0.77	S	S	*	*			trans	-26.3	-179.3	148.7	-85	-171	-57.5	0	0	119
124	P	54.5	Low	32.5	Very low	100 Å²	100	131.5 Å²	131.5	65%	0.649	78%	0.78	S	S	*	*			cis	-141.6	-179	-42.2	40.7	-23.5	0	0	0	113.2
125	T	26.3	Very low	32.5	Very low	154 Å²	154	136.5 Å²	136.5	95%	0.945	79%	0.79	S	S	*	*			trans	-160.2	167.6	155.4	-15.3	0	0	0	0	114.2
126	A	31.8	Very low	33.7	Very low	96 Å²	96	134 Å²	134	79%	0.793	78%	0.782	S	S	*	*			trans	-122.7	173.8	-162	0	0	0	0	0	116.8
127	Q	30.1	Very low	33.7	Very low	186 Å²	186	135.6 Å²	135.6	87%	0.869	79%	0.791	S	S	*	*			trans	-46.4	-177.1	169	-98.1	175.6	-40.5	0	0	117.6
128	P	49.9	Very low	33.9	Very low	100 Å²	100	136.9 Å²	136.9	65%	0.649	79%	0.792	S	S	*	*			cis	-139.2	-173.9	-9.1	31.2	-8.6	0	0	0	115.6
129	T	24.8	Very low	34	Very low	144 Å²	144	137.9 Å²	137.9	88%	0.883	79%	0.792	S	S	*	*			trans	-157.7	172.3	145.8	-8.1	0	0	0	0	113
130	T	29.1	Very low	34.3	Very low	129 Å²	129	135.1 Å²	135.1	79%	0.791	79%	0.789	S	S	*	*			trans	-125.7	153.5	-143.3	49	0	0	0	0	119
131	Q	26.6	Very low	33.5	Very low	181 Å²	181	138.2 Å²	138.2	85%	0.846	80%	0.799	S	S	*	*			trans	-13.8	-179.5	151.8	-88.4	-169.9	-61.2	0	0	121.8
132	P	53.7	Low	33.7	Very low	95 Å²	95	140.1 Å²	140.1	62%	0.617	80%	0.798	S	S	*	*			cis	-142.8	-179.6	-39.3	40.5	-23.6	0	0	0	114.4
133	T	27.1	Very low	33.9	Very low	142 Å²	142	139.3 Å²	139.3	87%	0.871	80%	0.795	S	S	*	*				-178.4	143.7	129.9	13.8	0	0	0	0	118.4
134	A	30.8	Very low	33.9	Very low	101 Å²	101	137.2 Å²	137.2	84%	0.835	80%	0.795	S	S	*	*			trans	71.9	128.6	139.9	0	0	0	0	0	124.9
135	Q	28.1	Very low	33	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	80%	0.803	S	S	*	*			trans	-118.8	-175.4	157	-130.5	-171.7	-37.2	0	0	106.3
136	P	51.9	Low	33.2	Very low	91 Å²	91	139.9 Å²	139.9	59%	0.591	80%	0.797	S	S	*	*			cis	-131.7	177.7	-24.7	40.3	-25.2	0	0	0	113.3
137	T	26.2	Very low	33.1	Very low	149 Å²	149	142.4 Å²	142.4	91%	0.914	80%	0.796	S	S	*	*			trans	-148.3	150.7	152.2	-38.8	0	0	0	0	110.7
138	I	31.6	Very low	33.2	Very low	142 Å²	142	139.2 Å²	139.2	73%	0.728	79%	0.791	S	S	*	*			trans	-127	155.9	-162.7	-49.6	175.4	0	0	0	110.5
139	Q	28.9	Very low	32.2	Very low	176 Å²	176	140.3 Å²	140.3	82%	0.822	80%	0.797	S	S	*	*			trans	113.1	151.7	150.3	-62.7	-169.4	25	0	0	117
140	P	37.1	Very low	32.6	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	79%	0.794	S	S	*	*			cis	-129.7	178.2	-23.4	30	-9.5	0	0	0	114.3
141	I	31.1	Very low	32.5	Very low	163 Å²	163	139.5 Å²	139.5	84%	0.836	79%	0.79	S	S	*	*			trans	-85.5	147.3	-177.5	-63.3	158.7	0	0	0	111.7
142	Q	30.1	Very low	33	Very low	180 Å²	180	136.7 Å²	136.7	84%	0.841	79%	0.787	S	S	*	*			trans	-137	132.3	155.6	-162.9	167.4	-7	0	0	109.5
143	P	33.6	Very low	32.1	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	80%	0.797	S	S	*	*			trans	-92	135.6	-170.4	34	-33.1	0	0	0	112.8
144	T	29.2	Very low	32.4	Very low	133 Å²	133	139.2 Å²	139.2	82%	0.816	79%	0.791	S	S	*	*			trans	-122.3	110.9	167.1	-35.7	0	0	0	0	109.4	Q146	T144-Q146 PolarHBondContact O-N 2.83Å
145	T	35.2	Very low	32.6	Very low	135 Å²	135	139.5 Å²	139.5	83%	0.828	78%	0.784	S	S	*	*			trans	-67.5	116.8	178.6	-44.8	0	0	0	0	110.5
146	Q	31.4	Very low	32.9	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.813	78%	0.784	S	S	*	*			trans	-132.4	132.4	161.8	-72.1	-165.6	-26.3	0	0	110.1	T144	T144-Q146 PolarHBondContact O-N 2.83Å
147	L	29.8	Very low	32.4	Very low	150 Å²	150	138.6 Å²	138.6	79%	0.785	79%	0.79	S	S	*	*			trans	-59.3	142.2	173.9	-110.6	63.1	0	0	0	110.1	T149	L147-T149 PolarHBondContact O-N 3.17Å; L147-T149 VanDerWaalsContact O-N 3.12Å
148	P	31.1	Very low	33.4	Very low	118 Å²	118	134.1 Å²	134.1	77%	0.766	77%	0.773	S	S	*	*			trans	-69.1	107.2	160.8	29.5	-30.3	0	0	0	108.3	D150	P148-D150 PolarHBondContact O-N 3.01Å
149	T	28.4	Very low	34.5	Very low	124 Å²	124	131.7 Å²	131.7	76%	0.761	77%	0.766	S	S	*	*			trans	-74.4	108.8	165.3	-51.2	0	0	0	0	107.5	L147 S151	L147-T149 PolarHBondContact O-N 3.17Å; L147-T149 VanDerWaalsContact O-N 3.12Å; T149-S151 PolarHBondContact O-N 3Å
150	D	33	Very low	36.3	Very low	153 Å²	153	131.2 Å²	131.2	82%	0.818	76%	0.762	S	S	*	*			trans	-54.6	108.5	169.8	-84.6	-42.4	0	0	0	109.2	P148 P152	P148-D150 PolarHBondContact O-N 3.01Å; D150-P152 WeakPolarHBondContact O-CD 3.37Å
151	S	27.8	Very low	38	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	74%	0.736	S	S	*	*			trans	-75.9	115.8	160.9	-60.1	0	0	0	0	105.9	T149 T153	T149-S151 PolarHBondContact O-N 3Å; S151-T153 PolarHBondContact O-N 3.1Å
152	P	36.9	Very low	40.2	Very low	122 Å²	122	121.9 Å²	121.9	79%	0.792	71%	0.712	S	S	*	*			trans	-63.2	114.1	178	25.5	-32.4	0	0	0	108	D150 Q154	D150-P152 WeakPolarHBondContact O-CD 3.37Å; P152-Q154 PolarHBondContact O-N 2.84Å
153	T	34.7	Very low	42.1	Very low	134 Å²	134	115.9 Å²	115.9	82%	0.822	70%	0.699	S	S	*	*			trans	-52.7	110.6	169.5	-48.1	0	0	0	0	107	S151 P155	S151-T153 PolarHBondContact O-N 3.1Å; T153-P155 VanDerWaalsContact O-N 3.09Å
154	Q	33.1	Very low	43.7	Very low	157 Å²	157	115.2 Å²	115.2	73%	0.734	70%	0.695	S	S	*	*			trans	-52.1	121.2	175.6	178.4	175.7	-31.3	0	0	106.9	P152 T156	P152-Q154 PolarHBondContact O-N 2.84Å; Q154-T156 PolarHBondContact O-N 3.27Å; Q154-T156 VanDerWaalsContact O-N 3.13Å
155	P	34.9	Very low	45.6	Very low	106 Å²	106	111.8 Å²	111.8	69%	0.688	67%	0.673	S	S	*	*			trans	-58.1	127.3	179.1	23.8	-32.4	0	0	0	106.9	T153 T157	T153-P155 VanDerWaalsContact O-N 3.09Å; P155-T157 PolarHBondContact O-N 3.15Å
156	T	35.2	Very low	47.2	Very low	143 Å²	143	110.6 Å²	110.6	88%	0.877	67%	0.666	S	S	*	*			trans	-49.9	111	171.8	-41.6	0	0	0	0	106.3	Q154 G158	Q154-T156 PolarHBondContact O-N 3.27Å; Q154-T156 VanDerWaalsContact O-N 3.13Å; T156-G158 PolarHBondContact O-N 2.97Å
157	T	41.8	Very low	49.1	Very low	117 Å²	117	108.7 Å²	108.7	72%	0.718	66%	0.661	S	S	*	*			trans	-62.8	107.5	-176.7	42.7	0	0	0	0	106.8	P155	P155-T157 PolarHBondContact O-N 3.15Å
158	G	46.7	Very low	51.3	Low	54 Å²	54	103 Å²	103	56%	0.557	63%	0.633	S	S	*	*			trans	-53.9	153.4	170.5	0	0	0	0	0	109.7	T156 F160	T156-G158 PolarHBondContact O-N 2.97Å; G158-F160 PolarHBondContact O-N 2.82Å
159	P	54.3	Low	53.2	Low	91 Å²	91	100.9 Å²	100.9	59%	0.591	62%	0.621	S	S	*	*			trans	-48	129.5	-174.9	18.6	-31.7	0	0	0	110.5	C161 E225	P159-C161 PolarHBondContact O-N 3.08Å; P159-E225 WeakPolarHBondContact CA-OE1 3.49Å; P159-E225 WeakPolarHBondContact CB-OE1 3.41Å
160	F	66.3	Low	55	Low	166 Å²	166	101.6 Å²	101.6	73%	0.728	62%	0.621	S	S	*	*			trans	-73.8	101.7	-169.8	172.5	-96.3	0	0	0	108.5	G158 P162 E225	G158-F160 PolarHBondContact O-N 2.82Å; F160-P162 WeakPolarHBondContact O-CD 3.4Å; F160-E225 PolarHBondContact N-OE1 3.29Å; F160-E225 VanDerWaalsContact N-OE1 3.14Å
161	C	74.4	Confident	56.1	Low	33 Å²	33	101.9 Å²	101.9	22%	0.223	62%	0.621	C	S	.	*	P	Polyproline II helix	trans	-77.7	127	175.9	-158.7	0	0	0	0	110.8	P159 G163 C475 G476	P159-C161 PolarHBondContact O-N 3.08Å; C161-G163 PolarHBondContact O-N 2.77Å; C161-C475 WeakPolarHBondContact CA-SG 3.43Å; C161-C475 HydrophobicContact CB-CB 3.75Å; C161-C475 WeakPolarHBondContact CB-SG 3.33Å; C161-C475 WeakPolarHBondContact SG-CB 3.3Å; C161-C475 PolarHBondContact SG-O 3.4Å; C161-C475 CovalentContact SG-SG 2.04Å; C161-C475 PolarHBondContact SG-SG 3.08Å; C161-G476 PolarHBondContact SG-N 3.46Å
162	P	75.6	Confident	57.8	Low	53 Å²	53	101.8 Å²	101.8	34%	0.344	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-54.6	139	174.6	-25.3	34.6	0	0	0	111.8	F160	F160-P162 WeakPolarHBondContact O-CD 3.4Å
163	G	70.7	Confident	59.2	Low	55 Å²	55	98.3 Å²	98.3	57%	0.567	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-62.5	161.1	169.7	0	0	0	0	0	111.7	C161 V165	C161-G163 PolarHBondContact O-N 2.77Å; G163-V165 PolarHBondContact O-N 3.09Å
164	P	68.2	Low	60.8	Low	100 Å²	100	98.9 Å²	98.9	65%	0.649	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-56.8	134.5	179.5	24.3	-34	0	0	0	111.2	T166	P164-T166 PolarHBondContact O-N 2.81Å
165	V	68.2	Low	63.1	Low	60 Å²	60	94.5 Å²	94.5	36%	0.364	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-57.9	124.1	-175.3	-175.7	0	0	0	0	110.7	G163 L221	G163-V165 PolarHBondContact O-N 3.09Å; V165-L221 HydrophobicContact CB-CD1 4.35Å; V165-L221 HydrophobicContact CG2-CD1 3.8Å
166	T	69.1	Low	65.5	Low	111 Å²	111	90.1 Å²	90.1	68%	0.681	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-69.1	133.8	174	48.3	0	0	0	0	110.7	P164 C168	P164-T166 PolarHBondContact O-N 2.81Å; T166-C168 PolarHBondContact O-N 3.46Å
167	L	70.6	Confident	68	Low	133 Å²	133	86 Å²	86	70%	0.696	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-63	127.2	172.4	-69.9	100.7	0	0	0	110.4
168	C	75.6	Confident	70.3	Confident	31 Å²	31	83.3 Å²	83.3	21%	0.209	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-72.3	152.1	170.4	-61.1	0	0	0	0	111.5	T166 C243 Q246	T166-C168 PolarHBondContact O-N 3.46Å; C168-C243 HydrophobicContact CB-CB 3.77Å; C168-C243 WeakPolarHBondContact CB-SG 3.38Å; C168-C243 WeakPolarHBondContact SG-CA 3.39Å; C168-C243 WeakPolarHBondContact SG-CB 3.37Å; C168-C243 CovalentContact SG-SG 2.04Å; C168-C243 PolarHBondContact SG-SG 2.93Å; C168-Q246 PolarHBondContact O-NE2 3.31Å
169	S	71.4	Confident	72.5	Confident	74 Å²	74	84.8 Å²	84.8	52%	0.517	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-76.3	146.9	170.7	41.1	0	0	0	0	112.3	L171	S169-L171 PolarHBondContact O-N 2.62Å
170	D	65.9	Low	74.5	Confident	139 Å²	139	80.5 Å²	80.5	74%	0.743	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-60.2	-13.8	-177.7	-57.8	-44.1	0	0	0	114.7	D172 S173	D170-D172 VanDerWaalsContact C-N 3.34Å; D170-D172 PolarHBondContact O-N 2.95Å; D170-S173 VanDerWaalsContact O-CB 3.28Å; D170-S173 WeakPolarHBondContact O-CB 2.79Å; D170-S173 PolarHBondContact O-N 2.94Å; D170-S173 PolarHBondContact O-OG 2.93Å
171	L	56.3	Low	75.8	Confident	159 Å²	159	72.8 Å²	72.8	83%	0.832	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-68.4	-23.4	-173.1	-72.6	163.4	0	0	0	114.6	S169	S169-L171 PolarHBondContact O-N 2.62Å
172	D	63.5	Low	76.8	Confident	99 Å²	99	75.1 Å²	75.1	53%	0.529	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-101.8	11.4	178.6	-68.4	-54.5	0	0	0	113.6	D170 S175 T176	D170-D172 VanDerWaalsContact C-N 3.34Å; D170-D172 PolarHBondContact O-N 2.95Å; D172-S175 PolarHBondContact O-N 2.87Å; D172-T176 PolarHBondContact O-N 2.79Å; D172-T176 PolarHBondContact O-OG1 3.49Å
173	S	66.3	Low	77.8	Confident	49 Å²	49	72.8 Å²	72.8	34%	0.343	43%	0.431	S	S	.	.	H	α-helix	trans	-50.4	-62.3	-175.3	44.5	0	0	0	0	113.2	D170 S175 T176 E177	D170-S173 VanDerWaalsContact O-CB 3.28Å; D170-S173 WeakPolarHBondContact O-CB 2.79Å; D170-S173 PolarHBondContact O-N 2.94Å; D170-S173 PolarHBondContact O-OG 2.93Å; S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 2.81Å; S173-S175 VanDerWaalsContact O-N 3.14Å; S173-T176 CarbonylContact O-C 3.59Å; S173-T176 WeakPolarHBondContact O-CA 3.1Å; S173-T176 VanDerWaalsContact O-CB 3.3Å; S173-T176 WeakPolarHBondContact O-CB 3.4Å; S173-T176 PolarHBondContact O-N 3.03Å; S173-E177 WeakPolarHBondContact O-CG 3.16Å; S173-E177 PolarHBondContact O-N 3.1Å
174	H	68.5	Low	79.1	Confident	146 Å²	146	70.2 Å²	70.2	68%	0.676	40%	0.404	S	S	*	.	H	α-helix	trans	-59.4	-31.1	-174	-70.7	-39.1	0	0	0	115.5	E177 A178	H174-E177 IonicContact CE1-OE2 3.5Å; H174-E177 IonicContact CG-OE2 2.73Å; H174-E177 IonicContact ND1-OE2 3.36Å; H174-E177 PolarHBondContact ND1-OE2 3.35Å; H174-A178 PolarHBondContact O-N 3.5Å; H174-A178 VanDerWaalsContact O-N 3.17Å
175	S	81.2	Confident	80.5	Confident	65 Å²	65	65.6 Å²	65.6	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-68.3	-46	173.9	-173.1	0	0	0	0	110.4	D172 S173 A178 M179	D172-S175 PolarHBondContact O-N 2.87Å; S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 2.81Å; S173-S175 VanDerWaalsContact O-N 3.14Å; S175-A178 PolarHBondContact O-N 3.3Å; S175-M179 WeakPolarHBondContact O-CG 3.44Å; S175-M179 PolarHBondContact O-N 3Å
176	T	86.1	Confident	81.9	Confident	14 Å²	14	64.9 Å²	64.9	9%	0.086	37%	0.368	C	S	.	.	H	α-helix	trans	-62.8	-42.7	177.5	-50.3	0	0	0	0	111.5	D172 S173 M179 L180 F241 C243 A247	D172-T176 PolarHBondContact O-N 2.79Å; D172-T176 PolarHBondContact O-OG1 3.49Å; S173-T176 CarbonylContact O-C 3.59Å; S173-T176 WeakPolarHBondContact O-CA 3.1Å; S173-T176 VanDerWaalsContact O-CB 3.3Å; S173-T176 WeakPolarHBondContact O-CB 3.4Å; S173-T176 PolarHBondContact O-N 3.03Å; T176-M179 PolarHBondContact O-N 2.87Å; T176-L180 WeakPolarHBondContact O-CB 3.48Å; T176-L180 PolarHBondContact O-N 2.9Å; T176-F241 HydrophobicContact CG2-CE2 3.52Å; T176-F241 HydrophobicContact CG2-CZ 3.73Å; T176-F241 WeakPolarHBondContact O-CZ 3.44Å; T176-C243 HydrophobicContact CG2-CB 3.74Å; T176-A247 HydrophobicContact CG2-CB 3.57Å
177	E	87.5	Confident	83.3	Confident	58 Å²	58	59.7 Å²	59.7	27%	0.271	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-47.1	176.1	-66	178.9	148	0	0	111.4	S173 H174 L180 G181 F251	S173-E177 WeakPolarHBondContact O-CG 3.16Å; S173-E177 PolarHBondContact O-N 3.1Å; H174-E177 IonicContact CE1-OE2 3.5Å; H174-E177 IonicContact CG-OE2 2.73Å; H174-E177 IonicContact ND1-OE2 3.36Å; H174-E177 PolarHBondContact ND1-OE2 3.35Å; E177-L180 PolarHBondContact O-N 3.24Å; E177-G181 PolarHBondContact O-N 3.41Å; E177-F251 HydrophobicContact CB-CE1 3.85Å; E177-F251 HydrophobicContact CB-CZ 4Å; E177-F251 HydrophobicContact CG-CE1 3.81Å; E177-F251 HydrophobicContact CG-CZ 4.45Å; E177-F251 WeakPolarHBondContact O-CZ 3.49Å
178	A	90.1	Very high	84.7	Confident	60 Å²	60	53.4 Å²	53.4	50%	0.496	30%	0.303	S	S	.	.	H	α-helix	trans	-62.1	-46.1	178.4	0	0	0	0	0	112.1	H174 S175 L180 G181 D182	H174-A178 PolarHBondContact O-N 3.5Å; H174-A178 VanDerWaalsContact O-N 3.17Å; S175-A178 PolarHBondContact O-N 3.3Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 3.01Å; A178-G181 PolarHBondContact O-N 3.3Å; A178-D182 PolarHBondContact O-N 3.08Å
179	M	93.2	Very high	85.7	Confident	85 Å²	85	52.1 Å²	52.1	42%	0.419	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-42.7	176.2	-69.5	178.3	-172.8	0	0	112.2	S175 T176 A183 P238 F241	S175-M179 WeakPolarHBondContact O-CG 3.44Å; S175-M179 PolarHBondContact O-N 3Å; T176-M179 PolarHBondContact O-N 2.87Å; M179-A183 WeakPolarHBondContact O-CB 3.15Å; M179-A183 PolarHBondContact O-N 3.45Å; M179-P238 HydrophobicContact SD-CG 4.34Å; M179-F241 HydrophobicContact CB-CE2 4.08Å; M179-F241 HydrophobicContact CB-CZ 3.8Å; M179-F241 HydrophobicContact SD-CE2 4.19Å
180	L	95.2	Very high	87	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-40.8	178.1	178.9	56.9	0	0	0	112	T176 E177 A178 A183 L184 Y237 F241 V244 A247 L248 F251	T176-L180 WeakPolarHBondContact O-CB 3.48Å; T176-L180 PolarHBondContact O-N 2.9Å; E177-L180 PolarHBondContact O-N 3.24Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 3.01Å; L180-A183 PolarHBondContact O-N 2.95Å; L180-L184 HydrophobicContact CD1-CD1 4.04Å; L180-L184 HydrophobicContact CD1-CG 4Å; L180-L184 HydrophobicContact CG-CD1 3.98Å; L180-L184 HydrophobicContact CG-CG 4.4Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å; L180-L184 VanDerWaalsContact O-CG 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.32Å; L180-L184 PolarHBondContact O-N 3.16Å; L180-Y237 HydrophobicContact CD1-CE1 3.67Å; L180-F241 HydrophobicContact CB-CE1 4.21Å; L180-F241 HydrophobicContact CB-CZ 4.16Å; L180-V244 HydrophobicContact CD1-CG2 4.1Å; L180-A247 HydrophobicContact CD2-CB 3.74Å; L180-L248 HydrophobicContact CD1-CD1 4.21Å; L180-L248 HydrophobicContact CD2-CB 4.03Å; L180-L248 HydrophobicContact CD2-CD1 3.99Å; L180-F251 HydrophobicContact CB-CE2 4Å; L180-F251 HydrophobicContact CB-CZ 4.23Å; L180-F251 HydrophobicContact CD2-CD2 3.65Å; L180-F251 HydrophobicContact CD2-CE2 3.69Å; L180-F251 HydrophobicContact CD2-CG 4.11Å; L180-F251 HydrophobicContact CD2-CZ 4.15Å; L180-F251 HydrophobicContact CG-CD2 3.94Å; L180-F251 HydrophobicContact CG-CE2 3.6Å; L180-F251 HydrophobicContact CG-CZ 4.25Å
181	G	95.1	Very high	88.5	Confident	4 Å²	4	45.6 Å²	45.6	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-60.2	-46.9	175	0	0	0	0	0	112.2	E177 A178 L184 V185	E177-G181 PolarHBondContact O-N 3.41Å; A178-G181 PolarHBondContact O-N 3.3Å; G181-L184 PolarHBondContact O-N 3.13Å; G181-V185 WeakPolarHBondContact O-CG2 3.49Å; G181-V185 PolarHBondContact O-N 3.41Å
182	D	95.1	Very high	90.5	Very high	82 Å²	82	38 Å²	38	44%	0.439	21%	0.211	S	C	.	.	H	α-helix	trans	-62	-45.1	175.9	-96.3	-45.7	0	0	0	112.7	A178 V185 D186 K427	A178-D182 PolarHBondContact O-N 3.08Å; D182-V185 PolarHBondContact O-N 3.28Å; D182-D186 PolarHBondContact O-N 3.08Å; D182-D186 VanDerWaalsContact O-N 3.09Å; D182-K427 WeakPolarHBondContact OD1-CD 3.3Å; D182-K427 WeakPolarHBondContact OD1-CE 3.25Å; D182-K427 IonicContact OD1-NZ 2.77Å; D182-K427 PolarHBondContact OD1-NZ 3.44Å
183	A	96.9	Very high	92.1	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-41.6	177.6	0	0	0	0	0	112.3	M179 L180 V185 D186 F187 S236 Y237	M179-A183 WeakPolarHBondContact O-CB 3.15Å; M179-A183 PolarHBondContact O-N 3.45Å; L180-A183 PolarHBondContact O-N 2.95Å; A183-V185 VanDerWaalsContact C-N 3.35Å; A183-V185 PolarHBondContact O-N 2.8Å; A183-D186 PolarHBondContact O-N 3Å; A183-F187 VanDerWaalsContact O-CB 3.32Å; A183-F187 WeakPolarHBondContact O-CB 3.42Å; A183-F187 PolarHBondContact O-N 3.41Å; A183-S236 VanDerWaalsContact CB-O 3.3Å; A183-S236 WeakPolarHBondContact CB-O 3.34Å; A183-Y237 HydrophobicContact CB-CD1 3.64Å; A183-Y237 HydrophobicContact CB-CE1 3.95Å
184	L	97.6	Very high	93.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-39.8	174.6	-76.1	170.7	0	0	0	111.7	L180 G181 S188 F210 A213 F251 F535	L180-L184 HydrophobicContact CD1-CD1 4.04Å; L180-L184 HydrophobicContact CD1-CG 4Å; L180-L184 HydrophobicContact CG-CD1 3.98Å; L180-L184 HydrophobicContact CG-CG 4.4Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å; L180-L184 VanDerWaalsContact O-CG 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.32Å; L180-L184 PolarHBondContact O-N 3.16Å; G181-L184 PolarHBondContact O-N 3.13Å; L184-S188 WeakPolarHBondContact O-CB 3.45Å; L184-S188 PolarHBondContact O-N 2.77Å; L184-S188 PolarHBondContact O-OG 3.09Å; L184-F210 HydrophobicContact CD1-CD2 4.06Å; L184-A213 HydrophobicContact CD2-CB 3.54Å; L184-F251 HydrophobicContact CD1-CD2 3.86Å; L184-F251 HydrophobicContact CD1-CE2 4.08Å; L184-F535 HydrophobicContact CB-CB 3.85Å; L184-F535 HydrophobicContact CD1-CB 3.9Å; L184-F535 HydrophobicContact CD1-CD1 4.08Å; L184-F535 HydrophobicContact CD1-CD2 4.04Å; L184-F535 HydrophobicContact CD1-CG 3.75Å
185	V	97.9	Very high	94.9	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.024	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-47.6	173.8	166.4	0	0	0	0	111.2	G181 D182 A183 S188 L189 F426 K427 W529	G181-V185 WeakPolarHBondContact O-CG2 3.49Å; G181-V185 PolarHBondContact O-N 3.41Å; D182-V185 PolarHBondContact O-N 3.28Å; A183-V185 VanDerWaalsContact C-N 3.35Å; A183-V185 PolarHBondContact O-N 2.8Å; V185-S188 WeakPolarHBondContact O-CB 3.28Å; V185-S188 PolarHBondContact O-N 2.86Å; V185-L189 PolarHBondContact O-N 3Å; V185-F426 HydrophobicContact CB-CE1 4.45Å; V185-F426 HydrophobicContact CG1-CD1 3.46Å; V185-F426 VanDerWaalsContact CG1-CD1 3.46Å; V185-F426 HydrophobicContact CG1-CE1 3.65Å; V185-F426 HydrophobicContact CG1-CG 4.39Å; V185-F426 HydrophobicContact CG2-CE1 3.98Å; V185-K427 HydrophobicContact CG1-CD 4.47Å; V185-K427 HydrophobicContact CG1-CG 4.04Å; V185-W529 HydrophobicContact CG2-CH2 3.95Å; V185-W529 HydrophobicContact CG2-CZ3 3.97Å
186	D	97.8	Very high	95.5	Very high	45 Å²	45	26.6 Å²	26.6	24%	0.241	15%	0.146	C	C	.	.	H	α-helix	trans	-69.9	-39.8	-176.2	-63.4	-12.8	0	0	0	111.4	D182 A183 S188 L189 K190 P423 K427	D182-D186 PolarHBondContact O-N 3.08Å; D182-D186 VanDerWaalsContact O-N 3.09Å; A183-D186 PolarHBondContact O-N 3Å; D186-S188 VanDerWaalsContact C-N 3.33Å; D186-S188 PolarHBondContact O-N 3.06Å; D186-L189 PolarHBondContact O-N 3.44Å; D186-K190 PolarHBondContact O-N 3.2Å; D186-K190 VanDerWaalsContact O-N 3.13Å; D186-P423 WeakPolarHBondContact OD1-CB 3.29Å; D186-K427 VanDerWaalsContact CG-NZ 3.33Å; D186-K427 WeakPolarHBondContact OD1-CE 3.33Å; D186-K427 IonicContact OD1-NZ 3.08Å; D186-K427 PolarHBondContact OD1-NZ 3.13Å; D186-K427 IonicContact OD2-NZ 3.88Å; D186-K427 PolarHBondContact OD2-NZ 3.09Å; D186-K427 VanDerWaalsContact OD2-NZ 3.09Å
187	F	98.3	Very high	95.9	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-35.3	171	179.3	-121.3	0	0	0	113.1	A183 L189 K190 L191 I212 A213 L216 V234 L235 L463	A183-F187 VanDerWaalsContact O-CB 3.32Å; A183-F187 WeakPolarHBondContact O-CB 3.42Å; A183-F187 PolarHBondContact O-N 3.41Å; F187-L189 VanDerWaalsContact C-N 3.34Å; F187-L189 PolarHBondContact O-N 2.93Å; F187-K190 WeakPolarHBondContact O-CB 3.33Å; F187-K190 PolarHBondContact O-N 3.04Å; F187-L191 HydrophobicContact CD1-CD1 3.9Å; F187-L191 HydrophobicContact CD1-CG 4.44Å; F187-L191 HydrophobicContact CD2-CG 4.25Å; F187-L191 HydrophobicContact CE1-CD1 3.35Å; F187-L191 HydrophobicContact CE1-CG 4Å; F187-L191 HydrophobicContact CE2-CD1 4.09Å; F187-L191 HydrophobicContact CE2-CD2 4.08Å; F187-L191 HydrophobicContact CE2-CG 3.78Å; F187-L191 HydrophobicContact CG-CD1 4.48Å; F187-L191 HydrophobicContact CZ-CD1 3.46Å; F187-L191 VanDerWaalsContact CZ-CD1 3.46Å; F187-L191 HydrophobicContact CZ-CD2 3.89Å; F187-L191 HydrophobicContact CZ-CG 3.64Å; F187-L191 WeakPolarHBondContact O-CB 3.3Å; F187-L191 WeakPolarHBondContact O-CG 3.43Å; F187-L191 PolarHBondContact O-N 2.92Å; F187-I212 HydrophobicContact CE1-CB 4.45Å; F187-I212 HydrophobicContact CE1-CG2 4.13Å; F187-I212 HydrophobicContact CZ-CG2 3.9Å; F187-A213 HydrophobicContact CD1-CB 3.93Å; F187-A213 HydrophobicContact CE1-CB 3.77Å; F187-L216 HydrophobicContact CE2-CD1 4.38Å; F187-L216 HydrophobicContact CZ-CD1 3.77Å; F187-V234 HydrophobicContact CD2-CG1 4.27Å; F187-V234 WeakPolarHBondContact CD2-O 3.1Å; F187-V234 HydrophobicContact CE2-CG1 3.78Å; F187-L235 HydrophobicContact CD1-CD2 4.09Å; F187-L235 HydrophobicContact CD2-CD2 4.23Å; F187-L235 HydrophobicContact CE1-CD2 3.86Å; F187-L235 HydrophobicContact CE2-CD2 4.04Å; F187-L235 HydrophobicContact CG-CD2 4.26Å; F187-L235 HydrophobicContact CZ-CD2 3.84Å; F187-L463 HydrophobicContact CE2-CD1 4.21Å
188	S	98.3	Very high	96.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-39.1	178	-59.8	0	0	0	0	112.7	L184 V185 D186 Y192 P209 P536	L184-S188 WeakPolarHBondContact O-CB 3.45Å; L184-S188 PolarHBondContact O-N 2.77Å; L184-S188 PolarHBondContact O-OG 3.09Å; V185-S188 WeakPolarHBondContact O-CB 3.28Å; V185-S188 PolarHBondContact O-N 2.86Å; D186-S188 VanDerWaalsContact C-N 3.33Å; D186-S188 PolarHBondContact O-N 3.06Å; S188-Y192 WeakPolarHBondContact O-CB 3.47Å; S188-Y192 PolarHBondContact O-N 3.47Å; S188-P209 WeakPolarHBondContact OG-CB 3.49Å; S188-P209 WeakPolarHBondContact OG-CG 3.41Å; S188-P536 WeakPolarHBondContact OG-CG 3.42Å
189	L	98.1	Very high	96.1	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-71.6	-43.4	177.2	-66	170.4	0	0	0	111	V185 D186 F187 L191 Y192 H193 L421 P423 F426 M539	V185-L189 PolarHBondContact O-N 3Å; D186-L189 PolarHBondContact O-N 3.44Å; F187-L189 VanDerWaalsContact C-N 3.34Å; F187-L189 PolarHBondContact O-N 2.93Å; L189-L191 PolarHBondContact O-N 2.89Å; L189-Y192 WeakPolarHBondContact O-CB 3.34Å; L189-Y192 PolarHBondContact O-N 3.21Å; L189-Y192 VanDerWaalsContact O-N 3.14Å; L189-H193 PolarHBondContact O-CD2 3.33Å; L189-H193 PolarHBondContact O-N 3.3Å; L189-L421 HydrophobicContact CD2-CD2 3.9Å; L189-L421 HydrophobicContact CD2-CG 3.97Å; L189-P423 VanDerWaalsContact CD1-CA 3.46Å; L189-P423 HydrophobicContact CD1-CB 4.02Å; L189-P423 HydrophobicContact CD1-CG 3.81Å; L189-F426 HydrophobicContact CD1-CB 3.99Å; L189-F426 HydrophobicContact CD1-CG 4.28Å; L189-F426 HydrophobicContact CD2-CD2 4.09Å; L189-M539 HydrophobicContact CD2-CE 4.01Å
190	K	98.1	Very high	95.9	Very high	76 Å²	76	33.7 Å²	33.7	33%	0.33	18%	0.177	S	C	.	.	H	α-helix	trans	-50.6	-55.4	169.7	-76.2	172.2	171.7	171.9	0	111.2	D186 F187 Y192 H193 A194 N233 V234 S236 L463	D186-K190 PolarHBondContact O-N 3.2Å; D186-K190 VanDerWaalsContact O-N 3.13Å; F187-K190 WeakPolarHBondContact O-CB 3.33Å; F187-K190 PolarHBondContact O-N 3.04Å; K190-Y192 VanDerWaalsContact C-N 3.35Å; K190-Y192 PolarHBondContact O-N 3.06Å; K190-H193 PolarHBondContact O-N 2.88Å; K190-A194 PolarHBondContact O-N 3.02Å; K190-N233 PolarHBondContact NZ-O 2.86Å; K190-V234 WeakPolarHBondContact CD-O 3.3Å; K190-V234 PolarHBondContact NZ-O 3.45Å; K190-S236 PolarHBondContact NZ-OG 3.31Å; K190-L463 HydrophobicContact CB-CD2 3.87Å
191	L	98.1	Very high	95.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-44.7	176	-78.1	177	0	0	0	112.1	F187 L189 H193 A194 F195 F207 P209 I212 M456 I459 L463	F187-L191 HydrophobicContact CD1-CD1 3.9Å; F187-L191 HydrophobicContact CD1-CG 4.44Å; F187-L191 HydrophobicContact CD2-CG 4.25Å; F187-L191 HydrophobicContact CE1-CD1 3.35Å; F187-L191 HydrophobicContact CE1-CG 4Å; F187-L191 HydrophobicContact CE2-CD1 4.09Å; F187-L191 HydrophobicContact CE2-CD2 4.08Å; F187-L191 HydrophobicContact CE2-CG 3.78Å; F187-L191 HydrophobicContact CG-CD1 4.48Å; F187-L191 HydrophobicContact CZ-CD1 3.46Å; F187-L191 VanDerWaalsContact CZ-CD1 3.46Å; F187-L191 HydrophobicContact CZ-CD2 3.89Å; F187-L191 HydrophobicContact CZ-CG 3.64Å; F187-L191 WeakPolarHBondContact O-CB 3.3Å; F187-L191 WeakPolarHBondContact O-CG 3.43Å; F187-L191 PolarHBondContact O-N 2.92Å; L189-L191 PolarHBondContact O-N 2.89Å; L191-H193 VanDerWaalsContact C-N 3.32Å; L191-H193 PolarHBondContact O-N 2.81Å; L191-A194 PolarHBondContact O-N 2.87Å; L191-F195 HydrophobicContact CB-CD2 4.46Å; L191-F195 HydrophobicContact CD2-CD2 4.43Å; L191-F195 HydrophobicContact CD2-CE2 4.13Å; L191-F195 WeakPolarHBondContact O-CB 3.47Å; L191-F195 WeakPolarHBondContact O-CD2 3.25Å; L191-F195 PolarHBondContact O-N 2.8Å; L191-F207 HydrophobicContact CB-CD2 4.29Å; L191-F207 HydrophobicContact CB-CE2 3.56Å; L191-F207 HydrophobicContact CB-CZ 4.16Å; L191-F207 HydrophobicContact CD1-CD2 4.23Å; L191-F207 HydrophobicContact CD1-CE2 4.09Å; L191-F207 HydrophobicContact CG-CE2 4.5Å; L191-P209 HydrophobicContact CD1-CB 4.13Å; L191-I212 HydrophobicContact CD1-CB 4.36Å; L191-I212 HydrophobicContact CD1-CD1 3.87Å; L191-I212 HydrophobicContact CD1-CG2 4.29Å; L191-M456 HydrophobicContact CD2-CE 4Å; L191-I459 HydrophobicContact CD2-CG2 3.85Å; L191-L463 HydrophobicContact CD2-CD1 4.01Å
192	Y	97.9	Very high	95.3	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-44.9	-179.3	-169.7	-84.8	0	0	0	111.9	S188 L189 K190 S196 M205 F207 E418 L525 M539 R541	S188-Y192 WeakPolarHBondContact O-CB 3.47Å; S188-Y192 PolarHBondContact O-N 3.47Å; L189-Y192 WeakPolarHBondContact O-CB 3.34Å; L189-Y192 PolarHBondContact O-N 3.21Å; L189-Y192 VanDerWaalsContact O-N 3.14Å; K190-Y192 VanDerWaalsContact C-N 3.35Å; K190-Y192 PolarHBondContact O-N 3.06Å; Y192-S196 WeakPolarHBondContact O-CB 3.29Å; Y192-S196 PolarHBondContact O-N 3.17Å; Y192-M205 HydrophobicContact CD1-CE 4.45Å; Y192-M205 HydrophobicContact CD2-CE 3.97Å; Y192-M205 HydrophobicContact CE1-CE 4.16Å; Y192-M205 HydrophobicContact CE2-CE 3.7Å; Y192-M205 HydrophobicContact CG-CE 4.35Å; Y192-F207 AromaticContact CD2-CE1 3.94Å; Y192-F207 HydrophobicContact CD2-CE1 3.94Å; Y192-F207 AromaticContact CD2-CZ 3.97Å; Y192-F207 HydrophobicContact CD2-CZ 3.97Å; Y192-F207 HydrophobicContact CG-CZ 4.4Å; Y192-E418 HydrophobicContact CE1-CB 4.17Å; Y192-E418 HydrophobicContact CE1-CG 3.7Å; Y192-E418 PolarHBondContact OH-OE1 3.3Å; Y192-L525 HydrophobicContact CE1-CD1 4.09Å; Y192-L525 HydrophobicContact CE2-CD1 3.82Å; Y192-L525 HydrophobicContact CE2-CG 3.99Å; Y192-L525 WeakPolarHBondContact OH-CD1 3.47Å; Y192-M539 HydrophobicContact CD2-CE 3.58Å; Y192-M539 HydrophobicContact CD2-CG 3.8Å; Y192-M539 HydrophobicContact CD2-SD 3.74Å; Y192-M539 HydrophobicContact CE2-CE 4.11Å; Y192-M539 HydrophobicContact CE2-CG 4.3Å; Y192-M539 HydrophobicContact CG-CE 3.91Å; Y192-M539 HydrophobicContact CG-SD 4.21Å; Y192-R541 WeakPolarHBondContact OH-CD 3.31Å
193	H	96.4	Very high	95.3	Very high	83 Å²	83	38.4 Å²	38.4	38%	0.384	21%	0.212	S	C	.	.	H	α-helix	trans	-67	-42.6	177	-65.9	-63.4	0	0	0	112.2	L189 K190 L191 S196 A197 E418	L189-H193 PolarHBondContact O-CD2 3.33Å; L189-H193 PolarHBondContact O-N 3.3Å; K190-H193 PolarHBondContact O-N 2.88Å; L191-H193 VanDerWaalsContact C-N 3.32Å; L191-H193 PolarHBondContact O-N 2.81Å; H193-S196 PolarHBondContact O-N 3.36Å; H193-A197 WeakPolarHBondContact O-CB 3.36Å; H193-A197 PolarHBondContact O-N 2.84Å; H193-E418 PolarHBondContact CE1-O 3.49Å; H193-E418 VanDerWaalsContact CE1-O 3.3Å
194	A	97.3	Very high	95.2	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-46.4	176.5	0	0	0	0	0	112.5	K190 L191 S196 A197 M198 I459 K462 L463	K190-A194 PolarHBondContact O-N 3.02Å; L191-A194 PolarHBondContact O-N 2.87Å; A194-S196 VanDerWaalsContact C-N 3.34Å; A194-S196 PolarHBondContact O-N 2.86Å; A194-A197 PolarHBondContact O-N 3.34Å; A194-M198 WeakPolarHBondContact O-CG 3.41Å; A194-M198 PolarHBondContact O-N 2.87Å; A194-I459 HydrophobicContact CB-CG2 4.06Å; A194-K462 HydrophobicContact CB-CB 4.01Å; A194-L463 HydrophobicContact CB-CD2 3.84Å; A194-L463 HydrophobicContact CB-CG 4.13Å
195	F	96.4	Very high	95.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-41.4	173.2	-91.4	-107.3	0	0	0	111.9	L191 M198 K199 M205 F207 I212 T452 Q454 M456 I459	L191-F195 HydrophobicContact CB-CD2 4.46Å; L191-F195 HydrophobicContact CD2-CD2 4.43Å; L191-F195 HydrophobicContact CD2-CE2 4.13Å; L191-F195 WeakPolarHBondContact O-CB 3.47Å; L191-F195 WeakPolarHBondContact O-CD2 3.25Å; L191-F195 PolarHBondContact O-N 2.8Å; F195-M198 PolarHBondContact O-N 3.14Å; F195-K199 WeakPolarHBondContact O-CB 3.25Å; F195-K199 WeakPolarHBondContact O-CG 3.45Å; F195-K199 PolarHBondContact O-N 2.81Å; F195-K199 VanDerWaalsContact O-N 3.09Å; F195-M205 HydrophobicContact CB-CE 4.14Å; F195-M205 HydrophobicContact CB-SD 3.79Å; F195-F207 HydrophobicContact CB-CD1 4.47Å; F195-F207 HydrophobicContact CB-CE1 4.3Å; F195-F207 HydrophobicContact CD1-CB 4.34Å; F195-F207 AromaticContact CD1-CD1 3.87Å; F195-F207 HydrophobicContact CD1-CD1 3.87Å; F195-F207 HydrophobicContact CD1-CG 4.22Å; F195-F207 HydrophobicContact CD2-CD1 4.38Å; F195-F207 HydrophobicContact CD2-CG 4.38Å; F195-F207 HydrophobicContact CE1-CB 3.73Å; F195-F207 HydrophobicContact CE1-CD1 4.14Å; F195-F207 HydrophobicContact CE1-CG 4.04Å; F195-F207 HydrophobicContact CE2-CB 4.37Å; F195-F207 HydrophobicContact CE2-CD2 4.33Å; F195-F207 HydrophobicContact CE2-CG 4.21Å; F195-F207 HydrophobicContact CG-CD1 4.01Å; F195-F207 HydrophobicContact CG-CE1 4.25Å; F195-F207 HydrophobicContact CG-CG 4.39Å; F195-F207 HydrophobicContact CZ-CB 3.75Å; F195-F207 HydrophobicContact CZ-CG 4.04Å; F195-I212 HydrophobicContact CE2-CD1 4.33Å; F195-I212 HydrophobicContact CZ-CD1 4.32Å; F195-T452 HydrophobicContact CE1-CG2 4.39Å; F195-Q454 HydrophobicContact CD1-CG 4.42Å; F195-Q454 HydrophobicContact CE1-CB 3.91Å; F195-Q454 HydrophobicContact CE1-CG 3.71Å; F195-Q454 HydrophobicContact CZ-CB 4.15Å; F195-Q454 HydrophobicContact CZ-CG 3.81Å; F195-M456 HydrophobicContact CE2-CE 4.13Å; F195-M456 HydrophobicContact CE2-SD 3.84Å; F195-M456 HydrophobicContact CZ-SD 3.68Å; F195-I459 HydrophobicContact CD2-CD1 3.75Å; F195-I459 HydrophobicContact CD2-CG1 4.24Å; F195-I459 HydrophobicContact CD2-CG2 4.03Å; F195-I459 HydrophobicContact CE2-CD1 4.07Å; F195-I459 HydrophobicContact CE2-CG1 4.05Å; F195-I459 HydrophobicContact CE2-CG2 3.93Å; F195-I459 HydrophobicContact CG-CD1 4.05Å
196	S	94.8	Very high	95	Very high	30 Å²	30	39.3 Å²	39.3	21%	0.21	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-41.3	177.2	-173.4	0	0	0	0	111.8	Y192 H193 A194 R541	Y192-S196 WeakPolarHBondContact O-CB 3.29Å; Y192-S196 PolarHBondContact O-N 3.17Å; H193-S196 PolarHBondContact O-N 3.36Å; A194-S196 VanDerWaalsContact C-N 3.34Å; A194-S196 PolarHBondContact O-N 2.86Å; S196-R541 PolarHBondContact OG-NH1 2.95Å
197	A	93.7	Very high	95	Very high	75 Å²	75	37.2 Å²	37.2	62%	0.62	21%	0.205	S	C	*	.	H	α-helix	trans	-73.1	-30.1	179.2	0	0	0	0	0	113.9	H193 A194	H193-A197 WeakPolarHBondContact O-CB 3.36Å; H193-A197 PolarHBondContact O-N 2.84Å; A194-A197 PolarHBondContact O-N 3.34Å
198	M	90.8	Very high	95	Very high	74 Å²	74	37.1 Å²	37.1	37%	0.365	21%	0.205	S	C	.	.	H	α-helix	trans	-82.9	-26.3	178.5	-73.4	-59.4	-64.3	0	0	113.9	A194 F195 I459 K462	A194-M198 WeakPolarHBondContact O-CG 3.41Å; A194-M198 PolarHBondContact O-N 2.87Å; F195-M198 PolarHBondContact O-N 3.14Å; M198-I459 HydrophobicContact CB-CD1 4.02Å; M198-I459 HydrophobicContact CG-CD1 3.81Å; M198-K462 HydrophobicContact CG-CG 3.85Å; M198-K462 HydrophobicContact SD-CD 4.18Å; M198-K462 WeakPolarHBondContact SD-CE 3.49Å; M198-K462 HydrophobicContact SD-CG 3.66Å
199	K	90.3	Very high	94.9	Very high	43 Å²	43	37.1 Å²	37.1	19%	0.187	21%	0.205	C	C	.	.	S	Bend	trans	-90	156.9	178.5	-67	-168.5	-172.3	-55	0	111.5	F195 M205	F195-K199 WeakPolarHBondContact O-CB 3.25Å; F195-K199 WeakPolarHBondContact O-CG 3.45Å; F195-K199 PolarHBondContact O-N 2.81Å; F195-K199 VanDerWaalsContact O-N 3.09Å; K199-M205 HydrophobicContact CD-CB 3.81Å; K199-M205 HydrophobicContact CD-SD 4.1Å
200	K	90.1	Very high	94.8	Very high	174 Å²	174	37.3 Å²	37.3	76%	0.757	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-61.6	151.7	174.6	-65	179.4	-179.6	177.9	0	109.8	T203	K200-T203 HydrophobicContact CB-CG2 3.82Å; K200-T203 WeakPolarHBondContact O-CG2 3.41Å; K200-T203 PolarHBondContact O-OG1 2.86Å
201	A	88.1	Confident	94.7	Very high	81 Å²	81	33.7 Å²	33.7	67%	0.669	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	144.9	172.9	0	0	0	0	0	111	T203	A201-T203 VanDerWaalsContact C-N 3.29Å; A201-T203 PolarHBondContact O-N 2.81Å
202	E	89.4	Confident	94.7	Very high	59 Å²	59	33.8 Å²	33.8	28%	0.276	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	31	175.9	-53.2	178.8	103.9	0	0	115.5	K363 Y543	E202-K363 VanDerWaalsContact CD-CE 3.49Å; E202-K363 WeakPolarHBondContact OE1-CG 3.32Å; E202-K363 WeakPolarHBondContact OE2-CE 3.46Å; E202-K363 IonicContact OE2-NZ 2.93Å; E202-Y543 HydrophobicContact CB-CD1 3.71Å; E202-Y543 HydrophobicContact CB-CD2 4.49Å; E202-Y543 HydrophobicContact CB-CE1 3.98Å; E202-Y543 HydrophobicContact CB-CG 4.01Å; E202-Y543 HydrophobicContact CG-CD1 3.94Å; E202-Y543 HydrophobicContact CG-CE1 3.76Å; E202-Y543 VanDerWaalsContact O-CB 3.25Å; E202-Y543 WeakPolarHBondContact O-CB 3.2Å
203	T	94.4	Very high	94.7	Very high	46 Å²	46	33.7 Å²	33.7	28%	0.282	19%	0.19	S	C	.	.			trans	-98.9	143.9	171.2	66.3	0	0	0	0	113.1	K200 A201 R541	K200-T203 HydrophobicContact CB-CG2 3.82Å; K200-T203 WeakPolarHBondContact O-CG2 3.41Å; K200-T203 PolarHBondContact O-OG1 2.86Å; A201-T203 VanDerWaalsContact C-N 3.29Å; A201-T203 PolarHBondContact O-N 2.81Å; T203-R541 PolarHBondContact O-NE 3.01Å; T203-R541 VanDerWaalsContact O-NE 3.09Å
204	N	95.9	Very high	94.7	Very high	28 Å²	28	30.7 Å²	30.7	15%	0.15	18%	0.178	C	C	.	.			trans	-57.1	145.9	164.7	-62.5	-2.9	0	0	0	110.3	V450 R541 Y543 D544	N204-V450 HydrophobicContact CB-CG1 4.22Å; N204-R541 WeakPolarHBondContact CA-O 3.32Å; N204-Y543 PolarHBondContact OD1-N 3Å; N204-D544 PolarHBondContact ND2-O 2.89Å; N204-D544 PolarHBondContact OD1-N 3.01Å
205	M	95.9	Very high	94.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	148.1	165.9	58	-179.7	-162.6	0	0	110.8	Y192 F195 K199 F207 T452 G540 R541	Y192-M205 HydrophobicContact CD1-CE 4.45Å; Y192-M205 HydrophobicContact CD2-CE 3.97Å; Y192-M205 HydrophobicContact CE1-CE 4.16Å; Y192-M205 HydrophobicContact CE2-CE 3.7Å; Y192-M205 HydrophobicContact CG-CE 4.35Å; F195-M205 HydrophobicContact CB-CE 4.14Å; F195-M205 HydrophobicContact CB-SD 3.79Å; K199-M205 HydrophobicContact CD-CB 3.81Å; K199-M205 HydrophobicContact CD-SD 4.1Å; M205-F207 HydrophobicContact CE-CE1 4.35Å; M205-T452 WeakPolarHBondContact CA-OG1 3.46Å; M205-G540 CarbonylContact O-C 3.58Å; M205-G540 WeakPolarHBondContact O-CA 3.43Å; M205-R541 HydrophobicContact CE-CG 4.41Å; M205-R541 HydrophobicContact CG-CG 3.82Å; M205-R541 PolarHBondContact N-O 3.45Å; M205-R541 VanDerWaalsContact N-O 3.08Å; M205-R541 PolarHBondContact O-N 2.93Å
206	A	95.8	Very high	94.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.5	168.3	0	0	0	0	0	108.3	V450 T452 F526	A206-V450 HydrophobicContact CB-CB 3.94Å; A206-V450 HydrophobicContact CB-CG1 3.63Å; A206-T452 PolarHBondContact N-OG1 2.96Å; A206-T452 VanDerWaalsContact N-OG1 3.11Å; A206-T452 WeakPolarHBondContact O-CB 3.46Å; A206-T452 PolarHBondContact O-OG1 3.19Å; A206-F526 HydrophobicContact CB-CZ 4.05Å
207	F	97.1	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	166.3	171.2	59.8	-83	0	0	0	108.8	L191 Y192 F195 M205 P209 I212 H490 F538 M539	L191-F207 HydrophobicContact CB-CD2 4.29Å; L191-F207 HydrophobicContact CB-CE2 3.56Å; L191-F207 HydrophobicContact CB-CZ 4.16Å; L191-F207 HydrophobicContact CD1-CD2 4.23Å; L191-F207 HydrophobicContact CD1-CE2 4.09Å; L191-F207 HydrophobicContact CG-CE2 4.5Å; Y192-F207 AromaticContact CD2-CE1 3.94Å; Y192-F207 HydrophobicContact CD2-CE1 3.94Å; Y192-F207 AromaticContact CD2-CZ 3.97Å; Y192-F207 HydrophobicContact CD2-CZ 3.97Å; Y192-F207 HydrophobicContact CG-CZ 4.4Å; F195-F207 HydrophobicContact CB-CD1 4.47Å; F195-F207 HydrophobicContact CB-CE1 4.3Å; F195-F207 HydrophobicContact CD1-CB 4.34Å; F195-F207 AromaticContact CD1-CD1 3.87Å; F195-F207 HydrophobicContact CD1-CD1 3.87Å; F195-F207 HydrophobicContact CD1-CG 4.22Å; F195-F207 HydrophobicContact CD2-CD1 4.38Å; F195-F207 HydrophobicContact CD2-CG 4.38Å; F195-F207 HydrophobicContact CE1-CB 3.73Å; F195-F207 HydrophobicContact CE1-CD1 4.14Å; F195-F207 HydrophobicContact CE1-CG 4.04Å; F195-F207 HydrophobicContact CE2-CB 4.37Å; F195-F207 HydrophobicContact CE2-CD2 4.33Å; F195-F207 HydrophobicContact CE2-CG 4.21Å; F195-F207 HydrophobicContact CG-CD1 4.01Å; F195-F207 HydrophobicContact CG-CE1 4.25Å; F195-F207 HydrophobicContact CG-CG 4.39Å; F195-F207 HydrophobicContact CZ-CB 3.75Å; F195-F207 HydrophobicContact CZ-CG 4.04Å; M205-F207 HydrophobicContact CE-CE1 4.35Å; F207-P209 HydrophobicContact CD2-CG 4.09Å; F207-P209 HydrophobicContact CE2-CG 3.78Å; F207-I212 HydrophobicContact CB-CD1 4.4Å; F207-I212 HydrophobicContact CD2-CD1 4.26Å; F207-H490 WeakPolarHBondContact CA-NE2 3.24Å; F207-F538 WeakPolarHBondContact O-CA 3.45Å; F207-M539 WeakPolarHBondContact CD1-O 3.34Å; F207-M539 HydrophobicContact CE1-CB 4.38Å; F207-M539 HydrophobicContact CE2-CB 4.29Å; F207-M539 HydrophobicContact CZ-CB 3.97Å; F207-M539 HydrophobicContact CZ-CG 4.43Å; F207-M539 PolarHBondContact N-O 2.94Å; F207-M539 PolarHBondContact O-N 2.95Å
208	S	97.6	Very high	94.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.			trans	-115	103.6	175.1	177.1	0	0	0	0	110.7	F210 S211 I212 I331 H490 V537	S208-F210 VanDerWaalsContact C-N 3.28Å; S208-F210 PolarHBondContact O-N 2.79Å; S208-S211 VanDerWaalsContact CB-CB 3.44Å; S208-S211 PolarHBondContact O-N 2.93Å; S208-S211 WeakPolarHBondContact OG-CB 3.49Å; S208-S211 PolarHBondContact OG-N 3.14Å; S208-S211 VanDerWaalsContact OG-N 3.12Å; S208-I212 WeakPolarHBondContact O-CD1 3.4Å; S208-I212 VanDerWaalsContact O-CG1 3.31Å; S208-I212 WeakPolarHBondContact O-CG1 3.31Å; S208-I212 PolarHBondContact O-N 3.22Å; S208-I331 WeakPolarHBondContact OG-CD1 3.46Å; S208-H490 PolarHBondContact N-NE2 3.33Å; S208-H490 VanDerWaalsContact N-NE2 3.16Å; S208-V537 WeakPolarHBondContact CA-O 3.41Å; S208-V537 WeakPolarHBondContact CB-O 3.04Å; S208-V537 PolarHBondContact OG-O 3.27Å
209	P	97.5	Very high	95.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56.3	-44.3	175.4	-20.5	28.9	0	0	0	112.1	S188 L191 F207 S211 I212 A213 P536 M539	S188-P209 WeakPolarHBondContact OG-CB 3.49Å; S188-P209 WeakPolarHBondContact OG-CG 3.41Å; L191-P209 HydrophobicContact CD1-CB 4.13Å; F207-P209 HydrophobicContact CD2-CG 4.09Å; F207-P209 HydrophobicContact CE2-CG 3.78Å; P209-S211 PolarHBondContact O-N 3.25Å; P209-I212 PolarHBondContact O-N 2.89Å; P209-A213 WeakPolarHBondContact O-CB 3.28Å; P209-A213 PolarHBondContact O-N 3.07Å; P209-P536 HydrophobicContact CG-CG 4.29Å; P209-M539 HydrophobicContact CG-CB 4.2Å
210	F	95.9	Very high	95.5	Very high	9 Å²	9	20.7 Å²	20.7	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-59	-45.8	177.2	175.6	-105	0	0	0	113	L184 S208 A213 S214 L248 F251 F535	L184-F210 HydrophobicContact CD1-CD2 4.06Å; S208-F210 VanDerWaalsContact C-N 3.28Å; S208-F210 PolarHBondContact O-N 2.79Å; F210-A213 PolarHBondContact O-N 2.94Å; F210-S214 WeakPolarHBondContact O-CB 3.43Å; F210-S214 PolarHBondContact O-N 3.01Å; F210-L248 HydrophobicContact CD2-CD1 4.05Å; F210-L248 HydrophobicContact CE2-CD1 3.59Å; F210-L248 HydrophobicContact CE2-CG 4.4Å; F210-L248 HydrophobicContact CZ-CD1 4.49Å; F210-F251 HydrophobicContact CE2-CB 3.56Å; F210-F251 HydrophobicContact CZ-CB 4.01Å; F210-F535 HydrophobicContact CB-CD2 4.02Å; F210-F535 HydrophobicContact CB-CE2 3.59Å; F210-F535 HydrophobicContact CD1-CE2 4.26Å; F210-F535 HydrophobicContact CD2-CD2 4.08Å; F210-F535 HydrophobicContact CD2-CE1 4.44Å; F210-F535 AromaticContact CD2-CE2 3.4Å; F210-F535 HydrophobicContact CD2-CE2 3.4Å; F210-F535 VanDerWaalsContact CD2-CE2 3.4Å; F210-F535 AromaticContact CD2-CZ 3.62Å; F210-F535 HydrophobicContact CD2-CZ 3.62Å; F210-F535 HydrophobicContact CE2-CE2 4.14Å; F210-F535 AromaticContact CE2-CZ 3.87Å; F210-F535 HydrophobicContact CE2-CZ 3.87Å; F210-F535 HydrophobicContact CG-CD2 4.28Å; F210-F535 AromaticContact CG-CE2 3.47Å; F210-F535 HydrophobicContact CG-CE2 3.47Å; F210-F535 VanDerWaalsContact CG-CE2 3.47Å; F210-F535 HydrophobicContact CG-CZ 4Å; F210-F535 HydrophobicContact CZ-CZ 4.45Å
211	S	95.5	Very high	95.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.8	-41.7	-178.2	-161.3	0	0	0	0	111.6	S208 P209 S214 L215 S258 N329	S208-S211 VanDerWaalsContact CB-CB 3.44Å; S208-S211 PolarHBondContact O-N 2.93Å; S208-S211 WeakPolarHBondContact OG-CB 3.49Å; S208-S211 PolarHBondContact OG-N 3.14Å; S208-S211 VanDerWaalsContact OG-N 3.12Å; P209-S211 PolarHBondContact O-N 3.25Å; S211-S214 PolarHBondContact O-N 2.87Å; S211-L215 PolarHBondContact O-N 3.48Å; S211-S258 PolarHBondContact OG-OG 3.18Å; S211-N329 VanDerWaalsContact CB-OD1 3.23Å; S211-N329 WeakPolarHBondContact CB-OD1 3.28Å; S211-N329 PolarHBondContact O-ND2 2.85Å; S211-N329 VanDerWaalsContact O-ND2 3.16Å; S211-N329 PolarHBondContact OG-ND2 3.48Å; S211-N329 PolarHBondContact OG-OD1 2.82Å
212	I	97.9	Very high	96	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-64.4	-48.4	173.5	-65.1	163.1	0	0	0	110.5	F187 L191 F195 F207 S208 P209 S214 L215 L216 M456 M488 H490	F187-I212 HydrophobicContact CE1-CB 4.45Å; F187-I212 HydrophobicContact CE1-CG2 4.13Å; F187-I212 HydrophobicContact CZ-CG2 3.9Å; L191-I212 HydrophobicContact CD1-CB 4.36Å; L191-I212 HydrophobicContact CD1-CD1 3.87Å; L191-I212 HydrophobicContact CD1-CG2 4.29Å; F195-I212 HydrophobicContact CE2-CD1 4.33Å; F195-I212 HydrophobicContact CZ-CD1 4.32Å; F207-I212 HydrophobicContact CB-CD1 4.4Å; F207-I212 HydrophobicContact CD2-CD1 4.26Å; S208-I212 WeakPolarHBondContact O-CD1 3.4Å; S208-I212 VanDerWaalsContact O-CG1 3.31Å; S208-I212 WeakPolarHBondContact O-CG1 3.31Å; S208-I212 PolarHBondContact O-N 3.22Å; P209-I212 PolarHBondContact O-N 2.89Å; I212-S214 VanDerWaalsContact C-N 3.27Å; I212-S214 PolarHBondContact O-N 2.67Å; I212-L215 PolarHBondContact O-N 2.91Å; I212-L216 HydrophobicContact CG2-CD1 3.88Å; I212-L216 HydrophobicContact CG2-CG 4.38Å; I212-L216 WeakPolarHBondContact O-CG 3.47Å; I212-L216 PolarHBondContact O-N 3.35Å; I212-M456 HydrophobicContact CD1-CE 3.95Å; I212-M456 HydrophobicContact CD1-SD 4.1Å; I212-M456 HydrophobicContact CG1-CE 4.34Å; I212-M456 HydrophobicContact CG2-CE 3.77Å; I212-M488 HydrophobicContact CG2-CE 4.4Å; I212-H490 HydrophobicContact CG1-CB 4.3Å
213	A	97.6	Very high	96.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.8	-39.6	177.5	0	0	0	0	0	111.6	L184 F187 P209 F210 L215 L216 T217 L235	L184-A213 HydrophobicContact CD2-CB 3.54Å; F187-A213 HydrophobicContact CD1-CB 3.93Å; F187-A213 HydrophobicContact CE1-CB 3.77Å; P209-A213 WeakPolarHBondContact O-CB 3.28Å; P209-A213 PolarHBondContact O-N 3.07Å; F210-A213 PolarHBondContact O-N 2.94Å; A213-L215 PolarHBondContact O-N 3Å; A213-L216 PolarHBondContact O-N 2.75Å; A213-T217 VanDerWaalsContact O-CB 3.3Å; A213-T217 WeakPolarHBondContact O-CB 3.5Å; A213-T217 PolarHBondContact O-N 2.57Å; A213-T217 PolarHBondContact O-OG1 3.44Å; A213-L235 HydrophobicContact CB-CD2 3.98Å
214	S	95.9	Very high	96.2	Very high	20 Å²	20	5 Å²	5	14%	0.14	3%	0.029	C	C	.	.	H	α-helix	trans	-61.8	-43.2	177.4	-164	0	0	0	0	112.8	F210 S211 I212 Q218 Y282	F210-S214 WeakPolarHBondContact O-CB 3.43Å; F210-S214 PolarHBondContact O-N 3.01Å; S211-S214 PolarHBondContact O-N 2.87Å; I212-S214 VanDerWaalsContact C-N 3.27Å; I212-S214 PolarHBondContact O-N 2.67Å; S214-Q218 WeakPolarHBondContact O-CB 3.37Å; S214-Q218 PolarHBondContact O-N 2.85Å; S214-Y282 WeakPolarHBondContact O-CE1 3.26Å
215	L	97	Very high	96	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65.3	-46.1	172.4	176.9	60.2	0	0	0	112.2	S211 I212 A213 T217 Q218 V219 I262 L327 N329 M488	S211-L215 PolarHBondContact O-N 3.48Å; I212-L215 PolarHBondContact O-N 2.91Å; A213-L215 PolarHBondContact O-N 3Å; L215-T217 VanDerWaalsContact C-N 3.31Å; L215-T217 PolarHBondContact O-N 3.07Å; L215-Q218 WeakPolarHBondContact O-CB 3.29Å; L215-Q218 PolarHBondContact O-N 2.9Å; L215-Q218 VanDerWaalsContact O-N 3.15Å; L215-V219 PolarHBondContact O-N 3Å; L215-I262 HydrophobicContact CD1-CG1 4.49Å; L215-L327 HydrophobicContact CD1-CB 4.39Å; L215-L327 HydrophobicContact CD2-CB 4.08Å; L215-L327 HydrophobicContact CG-CB 4.5Å; L215-N329 HydrophobicContact CD2-CB 3.81Å; L215-M488 HydrophobicContact CD2-CE 3.99Å; L215-M488 HydrophobicContact CG-CE 4.5Å
216	L	97.8	Very high	95.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.1	-33.2	179.2	-70.1	174.7	0	0	0	112.7	F187 I212 A213 V219 L220 L231 L235 M460 F468 M488	F187-L216 HydrophobicContact CE2-CD1 4.38Å; F187-L216 HydrophobicContact CZ-CD1 3.77Å; I212-L216 HydrophobicContact CG2-CD1 3.88Å; I212-L216 HydrophobicContact CG2-CG 4.38Å; I212-L216 WeakPolarHBondContact O-CG 3.47Å; I212-L216 PolarHBondContact O-N 3.35Å; A213-L216 PolarHBondContact O-N 2.75Å; L216-V219 WeakPolarHBondContact O-CB 3.38Å; L216-V219 PolarHBondContact O-N 3.12Å; L216-L220 PolarHBondContact O-N 3.18Å; L216-L231 HydrophobicContact CD2-CD2 4.19Å; L216-L235 HydrophobicContact CB-CD1 4.03Å; L216-L235 HydrophobicContact CB-CD2 4Å; L216-L235 HydrophobicContact CB-CG 4.45Å; L216-L235 HydrophobicContact CD1-CD2 3.97Å; L216-M460 HydrophobicContact CD1-CE 3.96Å; L216-M460 HydrophobicContact CD1-SD 3.83Å; L216-M460 HydrophobicContact CD2-CE 3.82Å; L216-M460 HydrophobicContact CD2-SD 4.16Å; L216-F468 HydrophobicContact CD2-CE2 3.94Å; L216-F468 HydrophobicContact CD2-CZ 3.69Å; L216-M488 HydrophobicContact CD2-CE 3.65Å; L216-M488 HydrophobicContact CD2-SD 4.13Å; L216-M488 HydrophobicContact CG-CE 3.96Å
217	T	96.8	Very high	95.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-75.5	-27.5	175.4	-47.3	0	0	0	0	111.6	A213 L215 V219 L220 L221 Y237 V244 H245 L248 Y282	A213-T217 VanDerWaalsContact O-CB 3.3Å; A213-T217 WeakPolarHBondContact O-CB 3.5Å; A213-T217 PolarHBondContact O-N 2.57Å; A213-T217 PolarHBondContact O-OG1 3.44Å; L215-T217 VanDerWaalsContact C-N 3.31Å; L215-T217 PolarHBondContact O-N 3.07Å; T217-V219 VanDerWaalsContact C-N 3.31Å; T217-L220 HydrophobicContact CG2-CD2 4.3Å; T217-L220 WeakPolarHBondContact O-CB 3.47Å; T217-L220 PolarHBondContact O-N 3.08Å; T217-L221 PolarHBondContact O-N 3.35Å; T217-L221 VanDerWaalsContact O-N 3.13Å; T217-Y237 HydrophobicContact CG2-CE2 4Å; T217-Y237 WeakPolarHBondContact OG1-CE2 3.49Å; T217-Y237 PolarHBondContact OG1-OH 3.11Å; T217-V244 HydrophobicContact CG2-CG1 3.79Å; T217-V244 HydrophobicContact CG2-CG2 4.1Å; T217-H245 PolarHBondContact O-CE1 3.11Å; T217-H245 VanDerWaalsContact O-CE1 3.31Å; T217-H245 PolarHBondContact O-ND1 2.87Å; T217-L248 HydrophobicContact CG2-CD2 3.98Å; T217-Y282 VanDerWaalsContact C-OH 3.27Å; T217-Y282 WeakPolarHBondContact CB-OH 3.46Å; T217-Y282 VanDerWaalsContact CG2-OH 3.3Å; T217-Y282 WeakPolarHBondContact CG2-OH 3.19Å; T217-Y282 PolarHBondContact O-OH 2.94Å
218	Q	96.3	Very high	95.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.4	-32.2	167.7	-171.3	177.1	6.8	0	0	111.7	S214 L215 L221 I262 F274 S278 Y282 S284	S214-Q218 WeakPolarHBondContact O-CB 3.37Å; S214-Q218 PolarHBondContact O-N 2.85Å; L215-Q218 WeakPolarHBondContact O-CB 3.29Å; L215-Q218 PolarHBondContact O-N 2.9Å; L215-Q218 VanDerWaalsContact O-N 3.15Å; Q218-L221 WeakPolarHBondContact O-CB 3.48Å; Q218-I262 HydrophobicContact CG-CD1 4.08Å; Q218-F274 HydrophobicContact CG-CZ 4.47Å; Q218-F274 WeakPolarHBondContact O-CZ 3.37Å; Q218-S278 PolarHBondContact NE2-OG 3.12Å; Q218-Y282 HydrophobicContact CB-CD1 3.84Å; Q218-Y282 HydrophobicContact CB-CD2 4.04Å; Q218-Y282 HydrophobicContact CB-CE1 3.8Å; Q218-Y282 HydrophobicContact CB-CE2 4.01Å; Q218-Y282 HydrophobicContact CB-CG 3.97Å; Q218-Y282 HydrophobicContact CG-CD1 4.18Å; Q218-Y282 HydrophobicContact CG-CD2 3.76Å; Q218-Y282 HydrophobicContact CG-CE2 4.14Å; Q218-Y282 HydrophobicContact CG-CG 3.8Å; Q218-Y282 PolarHBondContact N-OH 2.81Å; Q218-S284 PolarHBondContact NE2-OG 2.64Å
219	V	96.6	Very high	95.6	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.03	9%	0.092	C	C	.	.	H	α-helix	trans	-72.4	-42.5	170.3	179.5	0	0	0	0	111.1	L215 L216 T217 L221 G222 A223 L231 L327 F468 L474	L215-V219 PolarHBondContact O-N 3Å; L216-V219 WeakPolarHBondContact O-CB 3.38Å; L216-V219 PolarHBondContact O-N 3.12Å; T217-V219 VanDerWaalsContact C-N 3.31Å; V219-L221 PolarHBondContact O-N 2.98Å; V219-L221 VanDerWaalsContact O-N 3.17Å; V219-G222 PolarHBondContact O-N 3.4Å; V219-A223 PolarHBondContact O-N 3.31Å; V219-L231 HydrophobicContact CB-CD1 4.43Å; V219-L231 HydrophobicContact CG1-CD1 4.04Å; V219-L327 HydrophobicContact CG2-CD1 3.78Å; V219-L327 HydrophobicContact CG2-CD2 3.88Å; V219-L327 HydrophobicContact CG2-CG 4.49Å; V219-F468 HydrophobicContact CG1-CE1 4.17Å; V219-L474 HydrophobicContact CG1-CD1 3.94Å; V219-L474 HydrophobicContact CG1-CD2 3.6Å; V219-L474 HydrophobicContact CG1-CG 4.46Å
220	L	96	Very high	95.6	Very high	12 Å²	12	20.1 Å²	20.1	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-54.2	-34.2	175.7	-178.9	65	0	0	0	112.7	L216 T217 G222 A223 K228 L231 E232 Y237	L216-L220 PolarHBondContact O-N 3.18Å; T217-L220 HydrophobicContact CG2-CD2 4.3Å; T217-L220 WeakPolarHBondContact O-CB 3.47Å; T217-L220 PolarHBondContact O-N 3.08Å; L220-G222 PolarHBondContact O-N 3.38Å; L220-A223 HydrophobicContact CD1-CB 4.47Å; L220-A223 PolarHBondContact O-N 3.39Å; L220-A223 VanDerWaalsContact O-N 3.08Å; L220-K228 HydrophobicContact CD1-CB 4.27Å; L220-K228 HydrophobicContact CD1-CG 3.61Å; L220-L231 HydrophobicContact CB-CD1 4.14Å; L220-L231 HydrophobicContact CD1-CB 3.89Å; L220-L231 HydrophobicContact CD1-CD1 4.33Å; L220-E232 HydrophobicContact CD1-CG 4.12Å; L220-E232 HydrophobicContact CD2-CG 4.26Å; L220-Y237 HydrophobicContact CD2-CD2 3.99Å; L220-Y237 HydrophobicContact CD2-CE2 4.2Å
221	L	94.5	Very high	95.6	Very high	24 Å²	24	19.7 Å²	19.7	13%	0.126	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.2	174.6	-178.5	64.7	0	0	0	113.3	V165 T217 Q218 V219 F274 A277 L281 Y282	V165-L221 HydrophobicContact CB-CD1 4.35Å; V165-L221 HydrophobicContact CG2-CD1 3.8Å; T217-L221 PolarHBondContact O-N 3.35Å; T217-L221 VanDerWaalsContact O-N 3.13Å; Q218-L221 WeakPolarHBondContact O-CB 3.48Å; V219-L221 PolarHBondContact O-N 2.98Å; V219-L221 VanDerWaalsContact O-N 3.17Å; L221-F274 HydrophobicContact CB-CE2 4.18Å; L221-F274 HydrophobicContact CD2-CE2 4.28Å; L221-F274 HydrophobicContact CG-CD2 4.48Å; L221-F274 HydrophobicContact CG-CE2 4.24Å; L221-A277 HydrophobicContact CD1-CB 4.4Å; L221-A277 HydrophobicContact CD2-CB 3.89Å; L221-A277 HydrophobicContact CG-CB 4.5Å; L221-L281 HydrophobicContact CD1-CD1 4.13Å; L221-L281 HydrophobicContact CD2-CD1 4.25Å; L221-Y282 HydrophobicContact CD2-CD2 4.41Å; L221-Y282 HydrophobicContact CD2-CE2 4.12Å
222	G	94.9	Very high	95.7	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	0.6	177.9	0	0	0	0	0	114.3	V219 L220 L474 G476 L477	V219-G222 PolarHBondContact O-N 3.4Å; L220-G222 PolarHBondContact O-N 3.38Å; G222-L474 CarbonylContact O-C 2.99Å; G222-L474 WeakPolarHBondContact O-CA 3.43Å; G222-G476 VanDerWaalsContact O-CA 3.29Å; G222-G476 WeakPolarHBondContact O-CA 3.32Å; G222-G476 PolarHBondContact O-N 3.16Å; G222-L477 PolarHBondContact O-N 3.49Å
223	A	95	Very high	95.6	Very high	5 Å²	5	24.7 Å²	24.7	4%	0.041	13%	0.131	C	C	.	.			trans	-85.9	138.1	-170.8	0	0	0	0	0	113.4	V219 L220 T227 K228 L231 N473 L474	V219-A223 PolarHBondContact O-N 3.31Å; L220-A223 HydrophobicContact CD1-CB 4.47Å; L220-A223 PolarHBondContact O-N 3.39Å; L220-A223 VanDerWaalsContact O-N 3.08Å; A223-T227 HydrophobicContact CB-CG2 4.16Å; A223-K228 HydrophobicContact CB-CB 4.13Å; A223-L231 HydrophobicContact CB-CD1 4.12Å; A223-N473 WeakPolarHBondContact CA-O 3.45Å; A223-L474 HydrophobicContact CB-CD2 3.83Å
224	G	92.9	Very high	95.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.			trans	-101.3	163.4	171.6	0	0	0	0	0	112.8	N226 T227 K228 N473	G224-N226 PolarHBondContact O-N 2.9Å; G224-T227 PolarHBondContact O-N 3.42Å; G224-K228 PolarHBondContact O-N 2.95Å; G224-N473 PolarHBondContact N-O 2.93Å
225	E	90.9	Very high	95.7	Very high	91 Å²	91	24.4 Å²	24.4	43%	0.425	13%	0.128	S	C	.	.	H	α-helix	trans	39.3	-114.4	160.9	-57.2	-179.9	169.4	0	0	115.8	P159 F160 T229 N473	P159-E225 WeakPolarHBondContact CA-OE1 3.49Å; P159-E225 WeakPolarHBondContact CB-OE1 3.41Å; F160-E225 PolarHBondContact N-OE1 3.29Å; F160-E225 VanDerWaalsContact N-OE1 3.14Å; E225-T229 PolarHBondContact O-N 2.94Å; E225-T229 PolarHBondContact O-OG1 2.97Å; E225-N473 PolarHBondContact OE2-ND2 3.07Å
226	N	93.6	Very high	95.7	Very high	93 Å²	93	25.9 Å²	25.9	50%	0.497	14%	0.138	S	C	.	.	H	α-helix	trans	-65.2	-47.4	-176.5	-67.8	-23.5	0	0	0	111.5	G224 K228 T229 N230	G224-N226 PolarHBondContact O-N 2.9Å; N226-K228 VanDerWaalsContact C-N 3.3Å; N226-K228 PolarHBondContact O-N 3.15Å; N226-T229 CarbonylContact O-C 3.35Å; N226-T229 WeakPolarHBondContact O-CA 3.45Å; N226-T229 WeakPolarHBondContact O-CB 3.4Å; N226-T229 PolarHBondContact O-N 2.88Å; N226-N230 WeakPolarHBondContact O-CB 3.05Å; N226-N230 VanDerWaalsContact O-CG 3.27Å; N226-N230 PolarHBondContact O-N 3.14Å
227	T	95.4	Very high	95.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-37.1	-179.9	-55.4	0	0	0	0	112.9	A223 G224 L231 F465 D467 L472 N473 L474	A223-T227 HydrophobicContact CB-CG2 4.16Å; G224-T227 PolarHBondContact O-N 3.42Å; T227-L231 HydrophobicContact CG2-CD1 4.19Å; T227-L231 WeakPolarHBondContact O-CB 3.27Å; T227-L231 WeakPolarHBondContact O-CG 3.43Å; T227-L231 PolarHBondContact O-N 2.87Å; T227-F465 HydrophobicContact CG2-CZ 4.42Å; T227-D467 WeakPolarHBondContact CA-OD2 3.39Å; T227-D467 WeakPolarHBondContact CB-OD2 3.4Å; T227-D467 HydrophobicContact CG2-CB 4.12Å; T227-D467 PolarHBondContact N-OD2 3.21Å; T227-D467 PolarHBondContact OG1-OD2 2.72Å; T227-L472 HydrophobicContact CG2-CD1 3.94Å; T227-N473 PolarHBondContact OG1-N 3.14Å; T227-L474 HydrophobicContact CG2-CD2 4.09Å
228	K	95.1	Very high	95.4	Very high	52 Å²	52	29.2 Å²	29.2	23%	0.226	16%	0.158	C	C	.	.	H	α-helix	trans	-59.3	-50.8	170.9	-171.5	-170.3	-176.9	-96.5	0	110.8	L220 A223 G224 N226 N230 L231 E232 D240	L220-K228 HydrophobicContact CD1-CB 4.27Å; L220-K228 HydrophobicContact CD1-CG 3.61Å; A223-K228 HydrophobicContact CB-CB 4.13Å; G224-K228 PolarHBondContact O-N 2.95Å; N226-K228 VanDerWaalsContact C-N 3.3Å; N226-K228 PolarHBondContact O-N 3.15Å; K228-N230 PolarHBondContact O-N 2.76Å; K228-L231 PolarHBondContact O-N 3.36Å; K228-E232 WeakPolarHBondContact CE-OE1 3.43Å; K228-E232 IonicContact NZ-OE1 3.1Å; K228-E232 PolarHBondContact NZ-OE1 3.13Å; K228-E232 WeakPolarHBondContact O-CG 3.39Å; K228-E232 PolarHBondContact O-N 3.28Å; K228-D240 IonicContact NZ-OD1 3.34Å
229	T	95.2	Very high	95	Very high	52 Å²	52	36.8 Å²	36.8	32%	0.319	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-41.3	-178.1	-53.9	0	0	0	0	111.9	E225 N226 E232 N233	E225-T229 PolarHBondContact O-N 2.94Å; E225-T229 PolarHBondContact O-OG1 2.97Å; N226-T229 CarbonylContact O-C 3.35Å; N226-T229 WeakPolarHBondContact O-CA 3.45Å; N226-T229 WeakPolarHBondContact O-CB 3.4Å; N226-T229 PolarHBondContact O-N 2.88Å; T229-E232 PolarHBondContact O-N 2.9Å; T229-N233 WeakPolarHBondContact O-CB 3.47Å; T229-N233 PolarHBondContact O-N 3.46Å; T229-N233 PolarHBondContact O-ND2 2.87Å; T229-N233 VanDerWaalsContact O-ND2 3.16Å
230	N	96.4	Very high	94.1	Very high	57 Å²	57	42.6 Å²	42.6	31%	0.305	22%	0.222	S	C	.	.	H	α-helix	trans	-68.5	-42	179.5	-68.3	-12.1	0	0	0	111.2	N226 K228 N233 V234 F465 D467	N226-N230 WeakPolarHBondContact O-CB 3.05Å; N226-N230 VanDerWaalsContact O-CG 3.27Å; N226-N230 PolarHBondContact O-N 3.14Å; K228-N230 PolarHBondContact O-N 2.76Å; N230-N233 PolarHBondContact O-N 3.39Å; N230-V234 VanDerWaalsContact O-CG2 3.29Å; N230-V234 WeakPolarHBondContact O-CG2 3.41Å; N230-V234 PolarHBondContact O-N 3.13Å; N230-F465 HydrophobicContact CB-CD2 3.8Å; N230-F465 HydrophobicContact CB-CE2 3.69Å; N230-D467 PolarHBondContact ND2-OD1 3Å; N230-D467 PolarHBondContact ND2-OD2 3.36Å
231	L	96.9	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-43.9	173.1	-76.6	174	0	0	0	112.1	L216 V219 L220 A223 T227 K228 N233 V234 L235 M460 F465 F468	L216-L231 HydrophobicContact CD2-CD2 4.19Å; V219-L231 HydrophobicContact CB-CD1 4.43Å; V219-L231 HydrophobicContact CG1-CD1 4.04Å; L220-L231 HydrophobicContact CB-CD1 4.14Å; L220-L231 HydrophobicContact CD1-CB 3.89Å; L220-L231 HydrophobicContact CD1-CD1 4.33Å; A223-L231 HydrophobicContact CB-CD1 4.12Å; T227-L231 HydrophobicContact CG2-CD1 4.19Å; T227-L231 WeakPolarHBondContact O-CB 3.27Å; T227-L231 WeakPolarHBondContact O-CG 3.43Å; T227-L231 PolarHBondContact O-N 2.87Å; K228-L231 PolarHBondContact O-N 3.36Å; L231-N233 VanDerWaalsContact C-N 3.35Å; L231-N233 PolarHBondContact O-N 3.25Å; L231-V234 PolarHBondContact O-N 3.4Å; L231-L235 VanDerWaalsContact O-CB 3.3Å; L231-L235 WeakPolarHBondContact O-CB 3.19Å; L231-L235 VanDerWaalsContact O-CG 3.29Å; L231-L235 WeakPolarHBondContact O-CG 3.47Å; L231-L235 PolarHBondContact O-N 3.01Å; L231-M460 HydrophobicContact CD2-CE 4.39Å; L231-F465 HydrophobicContact CB-CE2 4.43Å; L231-F465 HydrophobicContact CD2-CD2 4.47Å; L231-F465 HydrophobicContact CD2-CE1 4.31Å; L231-F465 HydrophobicContact CD2-CE2 3.61Å; L231-F465 HydrophobicContact CD2-CZ 3.49Å; L231-F465 VanDerWaalsContact CD2-CZ 3.49Å; L231-F465 HydrophobicContact CG-CE2 3.65Å; L231-F465 HydrophobicContact CG-CZ 3.73Å; L231-F468 HydrophobicContact CD2-CZ 4.48Å
232	E	96.6	Very high	93.2	Very high	13 Å²	13	44 Å²	44	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-57	-46.9	173.9	-75.7	175.4	177.4	0	0	111.1	L220 K228 T229 L235 S236 Y237	L220-E232 HydrophobicContact CD1-CG 4.12Å; L220-E232 HydrophobicContact CD2-CG 4.26Å; K228-E232 WeakPolarHBondContact CE-OE1 3.43Å; K228-E232 IonicContact NZ-OE1 3.1Å; K228-E232 PolarHBondContact NZ-OE1 3.13Å; K228-E232 WeakPolarHBondContact O-CG 3.39Å; K228-E232 PolarHBondContact O-N 3.28Å; T229-E232 PolarHBondContact O-N 2.9Å; E232-L235 PolarHBondContact O-N 2.77Å; E232-S236 PolarHBondContact O-N 3.36Å; E232-Y237 PolarHBondContact O-N 3.41Å
233	N	96.8	Very high	93	Very high	94 Å²	94	45.1 Å²	45.1	50%	0.503	24%	0.243	S	C	.	.	H	α-helix	trans	-62.5	-43.9	178	-73.1	-30.1	0	0	0	113.1	K190 T229 N230 L231 S236	K190-N233 PolarHBondContact NZ-O 2.86Å; T229-N233 WeakPolarHBondContact O-CB 3.47Å; T229-N233 PolarHBondContact O-N 3.46Å; T229-N233 PolarHBondContact O-ND2 2.87Å; T229-N233 VanDerWaalsContact O-ND2 3.16Å; N230-N233 PolarHBondContact O-N 3.39Å; L231-N233 VanDerWaalsContact C-N 3.35Å; L231-N233 PolarHBondContact O-N 3.25Å; N233-S236 PolarHBondContact O-N 3.14Å
234	V	97.3	Very high	92.9	Very high	13 Å²	13	45 Å²	45	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-52.4	177.5	169	0	0	0	0	110.3	F187 K190 N230 L231 S236 M460 L463 F465	F187-V234 HydrophobicContact CD2-CG1 4.27Å; F187-V234 WeakPolarHBondContact CD2-O 3.1Å; F187-V234 HydrophobicContact CE2-CG1 3.78Å; K190-V234 WeakPolarHBondContact CD-O 3.3Å; K190-V234 PolarHBondContact NZ-O 3.45Å; N230-V234 VanDerWaalsContact O-CG2 3.29Å; N230-V234 WeakPolarHBondContact O-CG2 3.41Å; N230-V234 PolarHBondContact O-N 3.13Å; L231-V234 PolarHBondContact O-N 3.4Å; V234-S236 PolarHBondContact O-N 2.94Å; V234-M460 HydrophobicContact CG1-CE 4.06Å; V234-L463 HydrophobicContact CG1-CD1 4.07Å; V234-F465 HydrophobicContact CG2-CB 3.74Å; V234-F465 HydrophobicContact CG2-CD2 3.76Å; V234-F465 HydrophobicContact CG2-CG 4.1Å
235	L	97.8	Very high	92.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-8.8	-179.8	-65.4	168.1	0	0	0	113.3	F187 A213 L216 L231 E232 Y237	F187-L235 HydrophobicContact CD1-CD2 4.09Å; F187-L235 HydrophobicContact CD2-CD2 4.23Å; F187-L235 HydrophobicContact CE1-CD2 3.86Å; F187-L235 HydrophobicContact CE2-CD2 4.04Å; F187-L235 HydrophobicContact CG-CD2 4.26Å; F187-L235 HydrophobicContact CZ-CD2 3.84Å; A213-L235 HydrophobicContact CB-CD2 3.98Å; L216-L235 HydrophobicContact CB-CD1 4.03Å; L216-L235 HydrophobicContact CB-CD2 4Å; L216-L235 HydrophobicContact CB-CG 4.45Å; L216-L235 HydrophobicContact CD1-CD2 3.97Å; L231-L235 VanDerWaalsContact O-CB 3.3Å; L231-L235 WeakPolarHBondContact O-CB 3.19Å; L231-L235 VanDerWaalsContact O-CG 3.29Å; L231-L235 WeakPolarHBondContact O-CG 3.47Å; L231-L235 PolarHBondContact O-N 3.01Å; E232-L235 PolarHBondContact O-N 2.77Å; L235-Y237 VanDerWaalsContact C-N 3.26Å; L235-Y237 HydrophobicContact CB-CD1 4.16Å; L235-Y237 HydrophobicContact CB-CD2 3.75Å; L235-Y237 HydrophobicContact CB-CE1 4.08Å; L235-Y237 HydrophobicContact CB-CE2 3.68Å; L235-Y237 HydrophobicContact CB-CG 3.99Å; L235-Y237 HydrophobicContact CD1-CD2 3.99Å; L235-Y237 HydrophobicContact CD1-CE2 3.46Å; L235-Y237 VanDerWaalsContact CD1-CE2 3.46Å; L235-Y237 HydrophobicContact CG-CE2 4.12Å; L235-Y237 PolarHBondContact O-N 2.83Å
236	S	97.4	Very high	92.7	Very high	31 Å²	31	43.8 Å²	43.8	22%	0.217	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	29.1	-177.4	-33.2	0	0	0	0	113.1	A183 K190 E232 N233 V234	A183-S236 VanDerWaalsContact CB-O 3.3Å; A183-S236 WeakPolarHBondContact CB-O 3.34Å; K190-S236 PolarHBondContact NZ-OG 3.31Å; E232-S236 PolarHBondContact O-N 3.36Å; N233-S236 PolarHBondContact O-N 3.14Å; V234-S236 PolarHBondContact O-N 2.94Å
237	Y	96.4	Very high	92.6	Very high	15 Å²	15	40 Å²	40	6%	0.059	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-76.7	144	177.1	-65.6	-23.8	0	0	0	111.4	L180 A183 T217 L220 E232 L235 F241 V244	L180-Y237 HydrophobicContact CD1-CE1 3.67Å; A183-Y237 HydrophobicContact CB-CD1 3.64Å; A183-Y237 HydrophobicContact CB-CE1 3.95Å; T217-Y237 HydrophobicContact CG2-CE2 4Å; T217-Y237 WeakPolarHBondContact OG1-CE2 3.49Å; T217-Y237 PolarHBondContact OG1-OH 3.11Å; L220-Y237 HydrophobicContact CD2-CD2 3.99Å; L220-Y237 HydrophobicContact CD2-CE2 4.2Å; E232-Y237 PolarHBondContact O-N 3.41Å; L235-Y237 VanDerWaalsContact C-N 3.26Å; L235-Y237 HydrophobicContact CB-CD1 4.16Å; L235-Y237 HydrophobicContact CB-CD2 3.75Å; L235-Y237 HydrophobicContact CB-CE1 4.08Å; L235-Y237 HydrophobicContact CB-CE2 3.68Å; L235-Y237 HydrophobicContact CB-CG 3.99Å; L235-Y237 HydrophobicContact CD1-CD2 3.99Å; L235-Y237 HydrophobicContact CD1-CE2 3.46Å; L235-Y237 VanDerWaalsContact CD1-CE2 3.46Å; L235-Y237 HydrophobicContact CG-CE2 4.12Å; L235-Y237 PolarHBondContact O-N 2.83Å; Y237-F241 HydrophobicContact CD1-CD1 4.12Å; Y237-F241 HydrophobicContact CD1-CE1 4.31Å; Y237-F241 HydrophobicContact CG-CD1 4.07Å; Y237-V244 HydrophobicContact CD1-CG2 4.43Å; Y237-V244 HydrophobicContact CD2-CG2 4.13Å; Y237-V244 HydrophobicContact CE1-CG2 4.03Å; Y237-V244 HydrophobicContact CE2-CG2 3.66Å
238	P	92.4	Very high	92.4	Very high	55 Å²	55	40.1 Å²	40.1	36%	0.357	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-56.6	151.3	164.1	-21.1	32.7	0	0	0	110.6	M179 F241	M179-P238 HydrophobicContact SD-CG 4.34Å; P238-F241 HydrophobicContact CB-CB 4.48Å; P238-F241 WeakPolarHBondContact O-CB 3.49Å
239	K	86.7	Confident	92.1	Very high	158 Å²	158	42.6 Å²	42.6	69%	0.687	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	141.8	169.5	-67.4	-167.5	174.4	-166	0	110.2	F241	K239-F241 VanDerWaalsContact C-N 3.27Å; K239-F241 PolarHBondContact O-N 3.2Å
240	D	78.1	Confident	91.7	Very high	128 Å²	128	42.6 Å²	42.6	68%	0.684	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	34.7	177	-56.8	-48.6	0	0	0	114.3	K228 A242	K228-D240 IonicContact NZ-OD1 3.34Å; D240-A242 PolarHBondContact O-N 2.88Å
241	F	88.3	Confident	91.4	Very high	19 Å²	19	39.9 Å²	39.9	8%	0.083	22%	0.224	C	C	.	.			trans	-74.6	56.4	178	-167.1	-149.2	0	0	0	112.9	T176 M179 L180 Y237 P238 K239 C243 V244	T176-F241 HydrophobicContact CG2-CE2 3.52Å; T176-F241 HydrophobicContact CG2-CZ 3.73Å; T176-F241 WeakPolarHBondContact O-CZ 3.44Å; M179-F241 HydrophobicContact CB-CE2 4.08Å; M179-F241 HydrophobicContact CB-CZ 3.8Å; M179-F241 HydrophobicContact SD-CE2 4.19Å; L180-F241 HydrophobicContact CB-CE1 4.21Å; L180-F241 HydrophobicContact CB-CZ 4.16Å; Y237-F241 HydrophobicContact CD1-CD1 4.12Å; Y237-F241 HydrophobicContact CD1-CE1 4.31Å; Y237-F241 HydrophobicContact CG-CD1 4.07Å; P238-F241 HydrophobicContact CB-CB 4.48Å; P238-F241 WeakPolarHBondContact O-CB 3.49Å; K239-F241 VanDerWaalsContact C-N 3.27Å; K239-F241 PolarHBondContact O-N 3.2Å; F241-C243 PolarHBondContact O-N 2.87Å; F241-V244 HydrophobicContact CD1-CB 3.54Å; F241-V244 HydrophobicContact CD1-CG2 3.65Å; F241-V244 HydrophobicContact CE1-CB 3.84Å; F241-V244 HydrophobicContact CE1-CG2 3.65Å; F241-V244 HydrophobicContact CG-CB 4.05Å; F241-V244 VanDerWaalsContact O-CB 3.23Å; F241-V244 WeakPolarHBondContact O-CB 3.43Å; F241-V244 VanDerWaalsContact O-CG1 3.25Å; F241-V244 WeakPolarHBondContact O-CG1 3.15Å; F241-V244 PolarHBondContact O-N 3.09Å
242	A	83.8	Confident	90.8	Very high	45 Å²	45	44.4 Å²	44.4	37%	0.372	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.8	-170.9	0	0	0	0	0	114.4	D240 V244	D240-A242 PolarHBondContact O-N 2.88Å; A242-V244 PolarHBondContact O-N 2.72Å
243	C	89.6	Confident	90	Very high	26 Å²	26	44.6 Å²	44.6	18%	0.176	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-3.8	-178	-46	0	0	0	0	114	C168 T176 F241 H245 Q246 A247	C168-C243 HydrophobicContact CB-CB 3.77Å; C168-C243 WeakPolarHBondContact CB-SG 3.38Å; C168-C243 WeakPolarHBondContact SG-CA 3.39Å; C168-C243 WeakPolarHBondContact SG-CB 3.37Å; C168-C243 CovalentContact SG-SG 2.04Å; C168-C243 PolarHBondContact SG-SG 2.93Å; T176-C243 HydrophobicContact CG2-CB 3.74Å; F241-C243 PolarHBondContact O-N 2.87Å; C243-H245 VanDerWaalsContact C-N 3.26Å; C243-H245 PolarHBondContact O-N 3.23Å; C243-Q246 PolarHBondContact O-N 3.46Å; C243-Q246 VanDerWaalsContact O-N 3.1Å; C243-A247 PolarHBondContact O-N 3.48Å
244	V	92.6	Very high	89.2	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-54.3	-40.5	-176.1	70.3	0	0	0	0	112.7	L180 T217 Y237 F241 A242 Q246 A247 L248	L180-V244 HydrophobicContact CD1-CG2 4.1Å; T217-V244 HydrophobicContact CG2-CG1 3.79Å; T217-V244 HydrophobicContact CG2-CG2 4.1Å; Y237-V244 HydrophobicContact CD1-CG2 4.43Å; Y237-V244 HydrophobicContact CD2-CG2 4.13Å; Y237-V244 HydrophobicContact CE1-CG2 4.03Å; Y237-V244 HydrophobicContact CE2-CG2 3.66Å; F241-V244 HydrophobicContact CD1-CB 3.54Å; F241-V244 HydrophobicContact CD1-CG2 3.65Å; F241-V244 HydrophobicContact CE1-CB 3.84Å; F241-V244 HydrophobicContact CE1-CG2 3.65Å; F241-V244 HydrophobicContact CG-CB 4.05Å; F241-V244 VanDerWaalsContact O-CB 3.23Å; F241-V244 WeakPolarHBondContact O-CB 3.43Å; F241-V244 VanDerWaalsContact O-CG1 3.25Å; F241-V244 WeakPolarHBondContact O-CG1 3.15Å; F241-V244 PolarHBondContact O-N 3.09Å; A242-V244 PolarHBondContact O-N 2.72Å; V244-Q246 VanDerWaalsContact C-N 3.34Å; V244-Q246 PolarHBondContact O-N 3.03Å; V244-A247 PolarHBondContact O-N 3.42Å; V244-L248 WeakPolarHBondContact O-CB 3.21Å; V244-L248 PolarHBondContact O-N 2.98Å
245	H	92.3	Very high	88.4	Confident	11 Å²	11	47.7 Å²	47.7	5%	0.051	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-35.1	-178.2	-50.4	-80.1	0	0	0	112.5	T217 C243 K249 L281 Y282	T217-H245 PolarHBondContact O-CE1 3.11Å; T217-H245 VanDerWaalsContact O-CE1 3.31Å; T217-H245 PolarHBondContact O-ND1 2.87Å; C243-H245 VanDerWaalsContact C-N 3.26Å; C243-H245 PolarHBondContact O-N 3.23Å; H245-K249 PolarHBondContact O-N 2.81Å; H245-L281 HydrophobicContact CB-CB 4.46Å; H245-L281 HydrophobicContact CB-CD1 3.84Å; H245-L281 HydrophobicContact CB-CD2 4.07Å; H245-L281 HydrophobicContact CB-CG 4.34Å; H245-Y282 HydrophobicContact CB-CE2 4.48Å; H245-Y282 AromaticContact ND1-CE2 3.95Å; H245-Y282 AromaticContact ND1-CZ 3.84Å; H245-Y282 PolarHBondContact ND1-OH 3.33Å
246	Q	89	Confident	87.7	Confident	54 Å²	54	48.3 Å²	48.3	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-76.3	-43.3	176	-75.3	166.5	-78.5	0	0	111.7	C168 C243 V244 L248 K249 G250 L281	C168-Q246 PolarHBondContact O-NE2 3.31Å; C243-Q246 PolarHBondContact O-N 3.46Å; C243-Q246 VanDerWaalsContact O-N 3.1Å; V244-Q246 VanDerWaalsContact C-N 3.34Å; V244-Q246 PolarHBondContact O-N 3.03Å; Q246-L248 VanDerWaalsContact C-N 3.35Å; Q246-L248 PolarHBondContact O-N 2.86Å; Q246-K249 WeakPolarHBondContact O-CB 3.32Å; Q246-K249 PolarHBondContact O-N 3.08Å; Q246-G250 PolarHBondContact O-N 3.44Å; Q246-G250 VanDerWaalsContact O-N 3.14Å; Q246-L281 HydrophobicContact CG-CD2 3.96Å
247	A	90.8	Very high	87.1	Confident	14 Å²	14	48.5 Å²	48.5	12%	0.116	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-42.4	177.9	0	0	0	0	0	111.8	T176 L180 C243 V244 K249 G250 F251	T176-A247 HydrophobicContact CG2-CB 3.57Å; L180-A247 HydrophobicContact CD2-CB 3.74Å; C243-A247 PolarHBondContact O-N 3.48Å; V244-A247 PolarHBondContact O-N 3.42Å; A247-K249 VanDerWaalsContact C-N 3.3Å; A247-K249 PolarHBondContact O-N 2.61Å; A247-G250 WeakPolarHBondContact O-CA 3.47Å; A247-G250 PolarHBondContact O-N 3.17Å; A247-F251 WeakPolarHBondContact O-CD1 3.45Å; A247-F251 PolarHBondContact O-N 3.06Å
248	L	91.6	Very high	86.7	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-33.1	178.9	-164.6	65.4	0	0	0	112.6	L180 F210 T217 V244 Q246 F251 Y282	L180-L248 HydrophobicContact CD1-CD1 4.21Å; L180-L248 HydrophobicContact CD2-CB 4.03Å; L180-L248 HydrophobicContact CD2-CD1 3.99Å; F210-L248 HydrophobicContact CD2-CD1 4.05Å; F210-L248 HydrophobicContact CE2-CD1 3.59Å; F210-L248 HydrophobicContact CE2-CG 4.4Å; F210-L248 HydrophobicContact CZ-CD1 4.49Å; T217-L248 HydrophobicContact CG2-CD2 3.98Å; V244-L248 WeakPolarHBondContact O-CB 3.21Å; V244-L248 PolarHBondContact O-N 2.98Å; Q246-L248 VanDerWaalsContact C-N 3.35Å; Q246-L248 PolarHBondContact O-N 2.86Å; L248-F251 PolarHBondContact O-N 2.57Å; L248-Y282 HydrophobicContact CD2-CE1 4.36Å
249	K	88.6	Confident	86.6	Confident	104 Å²	104	48.1 Å²	48.1	45%	0.452	27%	0.266	S	S	.	.	H	α-helix	trans	-62.8	-42.8	169.2	-173.8	-177.4	-176.9	176.1	0	111.5	H245 Q246 A247 F251 T252 T280 L281	H245-K249 PolarHBondContact O-N 2.81Å; Q246-K249 WeakPolarHBondContact O-CB 3.32Å; Q246-K249 PolarHBondContact O-N 3.08Å; A247-K249 VanDerWaalsContact C-N 3.3Å; A247-K249 PolarHBondContact O-N 2.61Å; K249-F251 VanDerWaalsContact C-N 3.3Å; K249-F251 PolarHBondContact O-N 2.91Å; K249-T252 WeakPolarHBondContact O-CB 3.26Å; K249-T252 PolarHBondContact O-N 2.81Å; K249-T252 PolarHBondContact O-OG1 3.35Å; K249-T280 PolarHBondContact NZ-O 2.93Å; K249-L281 WeakPolarHBondContact CD-O 3.32Å; K249-L281 WeakPolarHBondContact CG-O 3.5Å
250	G	86.7	Confident	86.9	Confident	51 Å²	51	41.6 Å²	41.6	53%	0.526	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-34	175.3	0	0	0	0	0	113.8	Q246 A247 T252	Q246-G250 PolarHBondContact O-N 3.44Å; Q246-G250 VanDerWaalsContact O-N 3.14Å; A247-G250 WeakPolarHBondContact O-CA 3.47Å; A247-G250 PolarHBondContact O-N 3.17Å; G250-T252 PolarHBondContact O-N 2.94Å; G250-T252 VanDerWaalsContact O-N 3.13Å
251	F	89.1	Confident	87.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	1.4	179.8	-79.7	20.7	0	0	0	114.5	E177 L180 L184 F210 A247 L248 K249 T253 H533 F535	E177-F251 HydrophobicContact CB-CE1 3.85Å; E177-F251 HydrophobicContact CB-CZ 4Å; E177-F251 HydrophobicContact CG-CE1 3.81Å; E177-F251 HydrophobicContact CG-CZ 4.45Å; E177-F251 WeakPolarHBondContact O-CZ 3.49Å; L180-F251 HydrophobicContact CB-CE2 4Å; L180-F251 HydrophobicContact CB-CZ 4.23Å; L180-F251 HydrophobicContact CD2-CD2 3.65Å; L180-F251 HydrophobicContact CD2-CE2 3.69Å; L180-F251 HydrophobicContact CD2-CG 4.11Å; L180-F251 HydrophobicContact CD2-CZ 4.15Å; L180-F251 HydrophobicContact CG-CD2 3.94Å; L180-F251 HydrophobicContact CG-CE2 3.6Å; L180-F251 HydrophobicContact CG-CZ 4.25Å; L184-F251 HydrophobicContact CD1-CD2 3.86Å; L184-F251 HydrophobicContact CD1-CE2 4.08Å; F210-F251 HydrophobicContact CE2-CB 3.56Å; F210-F251 HydrophobicContact CZ-CB 4.01Å; A247-F251 WeakPolarHBondContact O-CD1 3.45Å; A247-F251 PolarHBondContact O-N 3.06Å; L248-F251 PolarHBondContact O-N 2.57Å; K249-F251 VanDerWaalsContact C-N 3.3Å; K249-F251 PolarHBondContact O-N 2.91Å; F251-T253 PolarHBondContact O-N 2.87Å; F251-H533 HydrophobicContact CD1-CB 3.98Å; F251-H533 AromaticContact CD1-CD2 3.45Å; F251-H533 VanDerWaalsContact CD1-CD2 3.45Å; F251-H533 WeakPolarHBondContact CD1-CD2 3.45Å; F251-H533 AromaticContact CD1-CG 3.69Å; F251-H533 HydrophobicContact CD2-CB 4.14Å; F251-H533 HydrophobicContact CE1-CB 3.75Å; F251-H533 AromaticContact CE1-CD2 3.38Å; F251-H533 WeakPolarHBondContact CE1-CD2 3.46Å; F251-H533 AromaticContact CE1-CG 3.74Å; F251-H533 HydrophobicContact CE2-CB 3.92Å; F251-H533 HydrophobicContact CG-CB 4.15Å; F251-H533 HydrophobicContact CZ-CB 3.71Å; F251-F535 HydrophobicContact CB-CE1 3.81Å; F251-F535 HydrophobicContact CB-CZ 4.14Å; F251-F535 AromaticContact CD2-CD1 3.46Å; F251-F535 HydrophobicContact CD2-CD1 3.46Å; F251-F535 VanDerWaalsContact CD2-CD1 3.46Å; F251-F535 AromaticContact CD2-CE1 3.3Å; F251-F535 HydrophobicContact CD2-CE1 3.3Å; F251-F535 HydrophobicContact CD2-CG 4.46Å; F251-F535 HydrophobicContact CD2-CZ 4.21Å; F251-F535 AromaticContact CE2-CD1 3.66Å; F251-F535 HydrophobicContact CE2-CD1 3.66Å; F251-F535 AromaticContact CE2-CE1 3.95Å; F251-F535 HydrophobicContact CE2-CE1 3.95Å; F251-F535 HydrophobicContact CG-CD1 4.31Å; F251-F535 AromaticContact CG-CE1 3.72Å; F251-F535 HydrophobicContact CG-CE1 3.72Å
252	T	84.6	Confident	88.1	Confident	95 Å²	95	35.1 Å²	35.1	58%	0.583	21%	0.206	S	C	*	.			trans	-68.3	97.6	-179.9	-52.2	0	0	0	0	111.6	K249 G250	K249-T252 WeakPolarHBondContact O-CB 3.26Å; K249-T252 PolarHBondContact O-N 2.81Å; K249-T252 PolarHBondContact O-OG1 3.35Å; G250-T252 PolarHBondContact O-N 2.94Å; G250-T252 VanDerWaalsContact O-N 3.13Å
253	T	80	Confident	88.8	Confident	17 Å²	17	33 Å²	33	10%	0.104	19%	0.188	C	C	.	.			trans	-74.6	137.9	175	-174	0	0	0	0	112.4	F251 G255 V256 L400 V537	F251-T253 PolarHBondContact O-N 2.87Å; T253-G255 PolarHBondContact O-N 3.34Å; T253-G255 PolarHBondContact OG1-N 2.93Å; T253-V256 HydrophobicContact CG2-CG1 4.46Å; T253-V256 HydrophobicContact CG2-CG2 3.81Å; T253-L400 HydrophobicContact CG2-CD1 4.34Å; T253-L400 HydrophobicContact CG2-CD2 4.34Å; T253-V537 HydrophobicContact CG2-CG1 4.28Å; T253-V537 HydrophobicContact CG2-CG2 4.33Å
254	K	80.9	Confident	89.1	Confident	173 Å²	173	32.8 Å²	32.8	75%	0.752	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-10.6	173.7	-63.2	-179	-178.1	177.5	0	113.3	V256	K254-V256 VanDerWaalsContact C-N 3.27Å; K254-V256 PolarHBondContact O-N 2.94Å
255	G	80.3	Confident	89.3	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11	-178.4	0	0	0	0	0	115	T253 A344	T253-G255 PolarHBondContact O-N 3.34Å; T253-G255 PolarHBondContact OG1-N 2.93Å; G255-A344 VanDerWaalsContact O-CB 3.31Å; G255-A344 WeakPolarHBondContact O-CB 3.38Å; G255-A344 PolarHBondContact O-N 3.03Å
256	V	82.2	Confident	89.3	Confident	13 Å²	13	35.7 Å²	35.7	8%	0.079	21%	0.205	C	C	.	.	S	Bend	trans	-133.2	162.4	177.6	-53.3	0	0	0	0	109.7	T253 K254 I331 L333 L400 L528 V537 F538	T253-V256 HydrophobicContact CG2-CG1 4.46Å; T253-V256 HydrophobicContact CG2-CG2 3.81Å; K254-V256 VanDerWaalsContact C-N 3.27Å; K254-V256 PolarHBondContact O-N 2.94Å; V256-I331 HydrophobicContact CB-CD1 4.4Å; V256-I331 HydrophobicContact CG2-CD1 4.06Å; V256-L333 HydrophobicContact CG1-CD1 4.35Å; V256-L400 HydrophobicContact CG1-CD1 4.26Å; V256-L528 HydrophobicContact CG1-CD2 3.95Å; V256-V537 HydrophobicContact CB-CG1 4.49Å; V256-V537 HydrophobicContact CG1-CG1 3.83Å; V256-V537 HydrophobicContact CG2-CG1 3.93Å; V256-F538 HydrophobicContact CB-CE2 4.35Å; V256-F538 HydrophobicContact CG1-CD2 4.44Å; V256-F538 HydrophobicContact CG1-CE2 3.86Å
257	T	85.4	Confident	89.5	Confident	35 Å²	35	37.7 Å²	37.7	22%	0.215	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.3	167.8	-63.3	0	0	0	0	108.7	V259 I331 Y332	T257-V259 HydrophobicContact CG2-CG1 4.35Å; T257-I331 WeakPolarHBondContact O-CA 3.43Å; T257-I331 WeakPolarHBondContact O-CG1 3.45Å; T257-Y332 VanDerWaalsContact CB-CE1 3.41Å; T257-Y332 HydrophobicContact CG2-CD1 4.31Å; T257-Y332 HydrophobicContact CG2-CE1 3.61Å; T257-Y332 PolarHBondContact N-O 2.95Å; T257-Y332 PolarHBondContact O-N 3.35Å
258	S	88.4	Confident	89.8	Confident	43 Å²	43	37.1 Å²	37.1	30%	0.301	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.6	175.6	171.1	0	0	0	0	108.8	S211	S211-S258 PolarHBondContact OG-OG 3.18Å
259	V	89.7	Confident	90	Very high	20 Å²	20	40.5 Å²	40.5	12%	0.121	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.2	178	-54.1	0	0	0	0	109.1	T257 W303 N307 T308 N329 A330	T257-V259 HydrophobicContact CG2-CG1 4.35Å; V259-W303 HydrophobicContact CB-CH2 3.92Å; V259-W303 HydrophobicContact CB-CZ3 4.48Å; V259-W303 HydrophobicContact CG2-CH2 3.98Å; V259-W303 HydrophobicContact CG2-CZ3 4.04Å; V259-N307 HydrophobicContact CB-CB 4.39Å; V259-N307 HydrophobicContact CG1-CB 3.83Å; V259-N307 HydrophobicContact CG2-CB 4.44Å; V259-T308 HydrophobicContact CG2-CG2 3.93Å; V259-N329 WeakPolarHBondContact O-CA 3.49Å; V259-N329 PolarHBondContact O-ND2 3.29Å; V259-A330 HydrophobicContact CG2-CB 3.83Å; V259-A330 WeakPolarHBondContact CG2-O 3.29Å; V259-A330 PolarHBondContact N-O 3.23Å; V259-A330 PolarHBondContact O-N 3.43Å
260	S	92.8	Very high	90.4	Very high	20 Å²	20	36.9 Å²	36.9	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136	177.5	-68.1	0	0	0	0	109.7	L328 N329	S260-L328 WeakPolarHBondContact CA-O 3.13Å; S260-N329 PolarHBondContact OG-ND2 3.17Å
261	Q	94.9	Very high	90.8	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	136.8	-179.2	-174.3	59.5	69.1	0	0	111.8	F263 S285 W303 L328	Q261-F263 HydrophobicContact CB-CD2 4.36Å; Q261-F263 HydrophobicContact CB-CE2 3.91Å; Q261-F263 HydrophobicContact CG-CD2 3.7Å; Q261-F263 HydrophobicContact CG-CE2 3.27Å; Q261-F263 HydrophobicContact CG-CZ 3.84Å; Q261-S285 PolarHBondContact NE2-O 2.92Å; Q261-W303 HydrophobicContact CB-CE3 4.41Å; Q261-W303 HydrophobicContact CB-CH2 3.37Å; Q261-W303 HydrophobicContact CB-CZ2 3.69Å; Q261-W303 HydrophobicContact CB-CZ3 3.75Å; Q261-W303 HydrophobicContact CG-CH2 4.12Å; Q261-W303 HydrophobicContact CG-CZ2 3.97Å; Q261-W303 HydrophobicContact CG-CZ3 4.45Å; Q261-L328 PolarHBondContact N-O 3.2Å; Q261-L328 PolarHBondContact O-N 3.31Å
262	I	97.4	Very high	91.1	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.6	169.1	-58.8	177.3	0	0	0	107.7	L215 Q218 F274 P286 R287 L325 V326 L327	L215-I262 HydrophobicContact CD1-CG1 4.49Å; Q218-I262 HydrophobicContact CG-CD1 4.08Å; I262-F274 HydrophobicContact CD1-CE1 4.06Å; I262-F274 HydrophobicContact CD1-CZ 3.91Å; I262-P286 HydrophobicContact CB-CB 4.35Å; I262-P286 HydrophobicContact CB-CG 4.28Å; I262-P286 HydrophobicContact CG2-CB 4.26Å; I262-P286 HydrophobicContact CG2-CG 4.35Å; I262-P286 WeakPolarHBondContact O-CA 3.34Å; I262-R287 PolarHBondContact O-N 2.92Å; I262-L325 HydrophobicContact CG2-CD1 3.55Å; I262-V326 WeakPolarHBondContact CA-O 3.31Å; I262-L327 HydrophobicContact CB-CD2 4.49Å; I262-L327 HydrophobicContact CD1-CD2 4.37Å; I262-L327 HydrophobicContact CG1-CD2 3.87Å; I262-L327 HydrophobicContact CG2-CD2 4.22Å
263	F	97.1	Very high	91.6	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.1	168.3	-71.5	-98	0	0	0	109.6	Q261 R287 L289 L299 I300 W303 V326 L328	Q261-F263 HydrophobicContact CB-CD2 4.36Å; Q261-F263 HydrophobicContact CB-CE2 3.91Å; Q261-F263 HydrophobicContact CG-CD2 3.7Å; Q261-F263 HydrophobicContact CG-CE2 3.27Å; Q261-F263 HydrophobicContact CG-CZ 3.84Å; F263-R287 CarbonylContact C-O 3.34Å; F263-R287 VanDerWaalsContact CA-O 3.24Å; F263-R287 WeakPolarHBondContact CA-O 3.3Å; F263-R287 HydrophobicContact CD1-CB 3.77Å; F263-R287 HydrophobicContact CE1-CB 3.85Å; F263-R287 HydrophobicContact CG-CB 4.48Å; F263-L289 HydrophobicContact CB-CD1 4.37Å; F263-L289 HydrophobicContact CB-CD2 3.88Å; F263-L289 HydrophobicContact CB-CG 4.06Å; F263-L289 HydrophobicContact CD1-CD2 3.71Å; F263-L289 HydrophobicContact CG-CD2 4.14Å; F263-L299 HydrophobicContact CE1-CD2 4.45Å; F263-L299 HydrophobicContact CE1-CG 4.46Å; F263-I300 HydrophobicContact CD1-CD1 4.47Å; F263-I300 HydrophobicContact CD1-CG1 4.07Å; F263-I300 HydrophobicContact CD2-CD1 4.33Å; F263-I300 HydrophobicContact CD2-CG1 4Å; F263-I300 HydrophobicContact CE1-CG1 3.92Å; F263-I300 HydrophobicContact CE2-CG1 3.86Å; F263-I300 HydrophobicContact CG-CD1 4.22Å; F263-I300 HydrophobicContact CG-CG1 4.1Å; F263-I300 HydrophobicContact CZ-CG1 3.81Å; F263-W303 HydrophobicContact CE2-CE3 4.36Å; F263-W303 HydrophobicContact CZ-CB 4.41Å; F263-W303 HydrophobicContact CZ-CD2 4.23Å; F263-W303 HydrophobicContact CZ-CE3 4.41Å; F263-W303 HydrophobicContact CZ-CG 4.22Å; F263-V326 HydrophobicContact CB-CB 4.26Å; F263-V326 PolarHBondContact N-O 2.83Å; F263-V326 PolarHBondContact O-N 3.07Å; F263-L328 HydrophobicContact CD2-CD1 3.78Å; F263-L328 HydrophobicContact CD2-CG 4.47Å; F263-L328 HydrophobicContact CE2-CD1 3.76Å
264	H	97.1	Very high	92.3	Very high	22 Å²	22	42.5 Å²	42.5	10%	0.102	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.3	-179.5	66.4	97.6	0	0	0	112	L268 I270 R287 V288 L289 R324 L325	H264-L268 HydrophobicContact CB-CB 4.4Å; H264-L268 HydrophobicContact CB-CD2 4.01Å; H264-L268 PolarHBondContact ND1-O 2.95Å; H264-L268 VanDerWaalsContact ND1-O 3.12Å; H264-I270 HydrophobicContact CB-CD1 4.23Å; H264-R287 PolarHBondContact CD2-O 2.88Å; H264-R287 PolarHBondContact N-O 2.83Å; H264-V288 PolarHBondContact NE2-N 2.88Å; H264-V288 CarbonylContact O-C 3.57Å; H264-V288 WeakPolarHBondContact O-CA 3.47Å; H264-L289 WeakPolarHBondContact O-CB 3.46Å; H264-L289 WeakPolarHBondContact O-CG 3.47Å; H264-L289 PolarHBondContact O-N 2.53Å; H264-R324 CarbonylContact C-O 3.28Å; H264-R324 VanDerWaalsContact CA-O 3.23Å; H264-R324 WeakPolarHBondContact CA-O 3.38Å; H264-L325 HydrophobicContact CB-CD1 4.36Å
265	S	95.8	Very high	93	Very high	8 Å²	8	35.7 Å²	35.7	6%	0.056	21%	0.209	C	C	.	.			trans	-69.9	158	175.1	61.1	0	0	0	0	112.5	D267 L268 R324	S265-D267 VanDerWaalsContact C-N 3.28Å; S265-D267 WeakPolarHBondContact CB-OD1 3.14Å; S265-D267 PolarHBondContact O-N 3.44Å; S265-D267 PolarHBondContact OG-OD1 2.71Å; S265-L268 PolarHBondContact O-N 3.08Å; S265-L268 VanDerWaalsContact O-N 3.15Å; S265-R324 PolarHBondContact N-O 3.41Å
266	P	94.1	Very high	93.7	Very high	66 Å²	66	39.7 Å²	39.7	43%	0.429	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.3	179.8	-26.8	37.5	0	0	0	115.6	L268 V288 L289 N291	P266-L268 VanDerWaalsContact C-N 3.35Å; P266-V288 HydrophobicContact CB-CG2 4.18Å; P266-V288 HydrophobicContact CG-CG2 4.02Å; P266-L289 WeakPolarHBondContact CG-O 3.46Å; P266-N291 WeakPolarHBondContact CG-OD1 3.38Å
267	D	93.2	Very high	94.2	Very high	97 Å²	97	40.3 Å²	40.3	52%	0.519	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-23.1	174.8	60.3	-64	0	0	0	112.7	S265 A269 R324	S265-D267 VanDerWaalsContact C-N 3.28Å; S265-D267 WeakPolarHBondContact CB-OD1 3.14Å; S265-D267 PolarHBondContact O-N 3.44Å; S265-D267 PolarHBondContact OG-OD1 2.71Å; D267-A269 PolarHBondContact O-N 3.18Å; D267-R324 IonicContact OD2-CZ 2.72Å; D267-R324 IonicContact OD2-NE 3Å; D267-R324 PolarHBondContact OD2-NE 3.35Å; D267-R324 VanDerWaalsContact OD2-NE 3.1Å; D267-R324 IonicContact OD2-NH2 3.36Å; D267-R324 PolarHBondContact OD2-NH2 3.34Å
268	L	95.4	Very high	94.6	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	23%	0.227	C	C	.	.	S	Bend	trans	-83.7	101.2	-179.6	-170.2	66.8	0	0	0	111.3	H264 S265 P266 I270 L325 T478 D480 L483	H264-L268 HydrophobicContact CB-CB 4.4Å; H264-L268 HydrophobicContact CB-CD2 4.01Å; H264-L268 PolarHBondContact ND1-O 2.95Å; H264-L268 VanDerWaalsContact ND1-O 3.12Å; S265-L268 PolarHBondContact O-N 3.08Å; S265-L268 VanDerWaalsContact O-N 3.15Å; P266-L268 VanDerWaalsContact C-N 3.35Å; L268-I270 HydrophobicContact CD2-CD1 4.08Å; L268-I270 HydrophobicContact CG-CD1 4.1Å; L268-I270 PolarHBondContact O-N 3.16Å; L268-L325 HydrophobicContact CD2-CD1 4.4Å; L268-T478 HydrophobicContact CD1-CG2 4.14Å; L268-D480 HydrophobicContact CD1-CB 3.54Å; L268-L483 HydrophobicContact CD1-CD1 3.85Å; L268-L483 HydrophobicContact CD2-CD1 3.5Å; L268-L483 VanDerWaalsContact CD2-CD1 3.5Å; L268-L483 HydrophobicContact CG-CD1 4.35Å
269	A	96	Very high	94.8	Very high	72 Å²	72	43.1 Å²	43.1	60%	0.595	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-72.6	119.4	176.5	0	0	0	0	0	111.7	D267 T478	D267-A269 PolarHBondContact O-N 3.18Å; A269-T478 VanDerWaalsContact O-CB 3.31Å; A269-T478 WeakPolarHBondContact O-CB 3.43Å; A269-T478 PolarHBondContact O-OG1 3.08Å
270	I	96.9	Very high	94.9	Very high	29 Å²	29	45.9 Å²	45.9	15%	0.149	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-95.6	134.8	177.3	-52.3	-56.5	0	0	0	110.1	H264 L268 F274 V275 P286 L477	H264-I270 HydrophobicContact CB-CD1 4.23Å; L268-I270 HydrophobicContact CD2-CD1 4.08Å; L268-I270 HydrophobicContact CG-CD1 4.1Å; L268-I270 PolarHBondContact O-N 3.16Å; I270-F274 HydrophobicContact CG2-CB 4.47Å; I270-F274 HydrophobicContact CG2-CD1 4.2Å; I270-V275 HydrophobicContact CB-CG2 4.43Å; I270-V275 HydrophobicContact CG2-CG2 3.81Å; I270-P286 HydrophobicContact CG1-CB 4.36Å; I270-P286 HydrophobicContact CG2-CB 4.46Å; I270-P286 HydrophobicContact CG2-CG 4.15Å; I270-L477 WeakPolarHBondContact CA-O 3.45Å; I270-L477 HydrophobicContact CD1-CD1 4.08Å; I270-L477 HydrophobicContact CD1-CG 4.12Å; I270-L477 HydrophobicContact CG2-CD1 3.96Å
271	R	96.4	Very high	94.8	Very high	77 Å²	77	46 Å²	46	29%	0.291	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-70.5	135.3	-177.7	-57.1	177.2	95.3	-166.2	2.6	111.4	T273 F274 V275 C475 L477 E479	R271-T273 PolarHBondContact O-N 3.36Å; R271-F274 WeakPolarHBondContact O-CB 3.34Å; R271-F274 PolarHBondContact O-N 3.37Å; R271-V275 PolarHBondContact O-N 2.95Å; R271-C475 WeakPolarHBondContact CD-O 3.41Å; R271-C475 PolarHBondContact NH1-O 2.84Å; R271-L477 PolarHBondContact N-O 2.85Å; R271-E479 HydrophobicContact CG-CG 4.42Å; R271-E479 IonicContact CZ-OE1 2.75Å; R271-E479 IonicContact NE-OE1 2.64Å; R271-E479 PolarHBondContact NE-OE1 2.98Å; R271-E479 IonicContact NH2-OE1 3.25Å; R271-E479 PolarHBondContact NH2-OE1 3.46Å
272	D	94.7	Very high	94.6	Very high	125 Å²	125	47 Å²	47	67%	0.668	26%	0.256	S	S	*	.	H	α-helix	trans	-57.2	-32.8	178.8	-77.3	-37.3	0	0	0	113.2	V275 N276	D272-V275 PolarHBondContact O-N 2.83Å; D272-N276 WeakPolarHBondContact O-CB 3.29Å; D272-N276 PolarHBondContact O-N 3.08Å; D272-N276 PolarHBondContact O-ND2 3.07Å
273	T	94.3	Very high	94.3	Very high	72 Å²	72	51.9 Å²	51.9	44%	0.442	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-46.6	173.6	46.5	0	0	0	0	111.3	R271 A277	R271-T273 PolarHBondContact O-N 3.36Å; T273-A277 VanDerWaalsContact O-CB 3.31Å; T273-A277 WeakPolarHBondContact O-CB 3.29Å; T273-A277 PolarHBondContact O-N 3.02Å
274	F	95.5	Very high	93.9	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-46.1	175.5	-170.7	-84.2	0	0	0	111.7	Q218 L221 I262 I270 R271 N276 A277 S278 P286 L477	Q218-F274 HydrophobicContact CG-CZ 4.47Å; Q218-F274 WeakPolarHBondContact O-CZ 3.37Å; L221-F274 HydrophobicContact CB-CE2 4.18Å; L221-F274 HydrophobicContact CD2-CE2 4.28Å; L221-F274 HydrophobicContact CG-CD2 4.48Å; L221-F274 HydrophobicContact CG-CE2 4.24Å; I262-F274 HydrophobicContact CD1-CE1 4.06Å; I262-F274 HydrophobicContact CD1-CZ 3.91Å; I270-F274 HydrophobicContact CG2-CB 4.47Å; I270-F274 HydrophobicContact CG2-CD1 4.2Å; R271-F274 WeakPolarHBondContact O-CB 3.34Å; R271-F274 PolarHBondContact O-N 3.37Å; F274-N276 VanDerWaalsContact C-N 3.28Å; F274-N276 PolarHBondContact O-N 2.85Å; F274-A277 PolarHBondContact O-N 2.8Å; F274-S278 WeakPolarHBondContact O-CB 3.34Å; F274-S278 PolarHBondContact O-N 3.16Å; F274-P286 HydrophobicContact CD1-CG 3.9Å; F274-P286 HydrophobicContact CE1-CG 3.68Å; F274-L477 HydrophobicContact CD1-CD1 3.44Å; F274-L477 VanDerWaalsContact CD1-CD1 3.44Å; F274-L477 HydrophobicContact CD2-CB 4.24Å; F274-L477 HydrophobicContact CD2-CD1 3.98Å; F274-L477 HydrophobicContact CE1-CD1 3.44Å; F274-L477 VanDerWaalsContact CE1-CD1 3.44Å; F274-L477 HydrophobicContact CE2-CB 4.45Å; F274-L477 HydrophobicContact CE2-CD1 3.96Å; F274-L477 HydrophobicContact CG-CD1 3.73Å; F274-L477 HydrophobicContact CZ-CD1 3.71Å
275	V	95.9	Very high	93.6	Very high	30 Å²	30	53 Å²	53	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-55.3	-45	179.3	175	0	0	0	0	111.2	I270 R271 D272 R279	I270-V275 HydrophobicContact CB-CG2 4.43Å; I270-V275 HydrophobicContact CG2-CG2 3.81Å; R271-V275 PolarHBondContact O-N 2.95Å; D272-V275 PolarHBondContact O-N 2.83Å; V275-R279 VanDerWaalsContact O-CB 3.31Å; V275-R279 WeakPolarHBondContact O-CB 3.36Å; V275-R279 PolarHBondContact O-N 3.25Å; V275-R279 VanDerWaalsContact O-N 3.07Å
276	N	94.1	Very high	93.5	Very high	85 Å²	85	53.4 Å²	53.4	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-71.8	-43.9	-179.8	-71.8	-46.3	0	0	0	112.8	D272 F274 T280	D272-N276 WeakPolarHBondContact O-CB 3.29Å; D272-N276 PolarHBondContact O-N 3.08Å; D272-N276 PolarHBondContact O-ND2 3.07Å; F274-N276 VanDerWaalsContact C-N 3.28Å; F274-N276 PolarHBondContact O-N 2.85Å; N276-T280 WeakPolarHBondContact O-CB 3.05Å; N276-T280 PolarHBondContact O-N 3.02Å; N276-T280 PolarHBondContact O-OG1 2.82Å
277	A	92.3	Very high	93.6	Very high	26 Å²	26	54.5 Å²	54.5	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-46.3	177.7	0	0	0	0	0	111.6	L221 T273 F274 R279 T280 L281	L221-A277 HydrophobicContact CD1-CB 4.4Å; L221-A277 HydrophobicContact CD2-CB 3.89Å; L221-A277 HydrophobicContact CG-CB 4.5Å; T273-A277 VanDerWaalsContact O-CB 3.31Å; T273-A277 WeakPolarHBondContact O-CB 3.29Å; T273-A277 PolarHBondContact O-N 3.02Å; F274-A277 PolarHBondContact O-N 2.8Å; A277-R279 PolarHBondContact O-N 3.38Å; A277-T280 PolarHBondContact O-N 3.44Å; A277-T280 VanDerWaalsContact O-N 3.16Å; A277-L281 HydrophobicContact CB-CD1 4.44Å; A277-L281 WeakPolarHBondContact O-CB 3.46Å; A277-L281 WeakPolarHBondContact O-CG 3.45Å; A277-L281 PolarHBondContact O-N 3.4Å
278	S	93.9	Very high	93.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.6	-51.2	174.4	-177	0	0	0	0	111.3	Q218 F274 T280 L281 Y282 S283 S284	Q218-S278 PolarHBondContact NE2-OG 3.12Å; F274-S278 WeakPolarHBondContact O-CB 3.34Å; F274-S278 PolarHBondContact O-N 3.16Å; S278-T280 VanDerWaalsContact C-N 3.29Å; S278-T280 PolarHBondContact O-N 2.9Å; S278-L281 PolarHBondContact O-N 3.08Å; S278-Y282 WeakPolarHBondContact O-CA 3.47Å; S278-Y282 WeakPolarHBondContact O-CB 3.46Å; S278-Y282 PolarHBondContact O-N 3.13Å; S278-S283 PolarHBondContact O-N 2.57Å; S278-S284 CarbonylContact C-O 3.51Å; S278-S284 WeakPolarHBondContact CB-O 3.45Å; S278-S284 VanDerWaalsContact O-O 3.09Å; S278-S284 PolarHBondContact OG-O 2.8Å
279	R	93.5	Very high	93.8	Very high	137 Å²	137	54.1 Å²	54.1	52%	0.517	30%	0.3	S	S	.	.	H	α-helix	trans	-60.1	-39.5	178	-176.1	-179.1	-65.4	150.9	3	112.1	V275 A277 S283 S284	V275-R279 VanDerWaalsContact O-CB 3.31Å; V275-R279 WeakPolarHBondContact O-CB 3.36Å; V275-R279 PolarHBondContact O-N 3.25Å; V275-R279 VanDerWaalsContact O-N 3.07Å; A277-R279 PolarHBondContact O-N 3.38Å; R279-S283 WeakPolarHBondContact O-CA 3.25Å; R279-S283 PolarHBondContact O-N 2.74Å; R279-S284 WeakPolarHBondContact CA-O 3.4Å; R279-S284 PolarHBondContact N-O 2.96Å; R279-S284 VanDerWaalsContact N-O 3.13Å
280	T	91.8	Very high	93.6	Very high	77 Å²	77	52.9 Å²	52.9	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-74.3	-39.9	-176	-58.2	0	0	0	0	112.6	K249 N276 A277 S278	K249-T280 PolarHBondContact NZ-O 2.93Å; N276-T280 WeakPolarHBondContact O-CB 3.05Å; N276-T280 PolarHBondContact O-N 3.02Å; N276-T280 PolarHBondContact O-OG1 2.82Å; A277-T280 PolarHBondContact O-N 3.44Å; A277-T280 VanDerWaalsContact O-N 3.16Å; S278-T280 VanDerWaalsContact C-N 3.29Å; S278-T280 PolarHBondContact O-N 2.9Å
281	L	90.8	Very high	93.3	Very high	22 Å²	22	59 Å²	59	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-92.8	-42.1	-172.9	-65	163.2	0	0	0	112.1	L221 H245 Q246 K249 A277 S278	L221-L281 HydrophobicContact CD1-CD1 4.13Å; L221-L281 HydrophobicContact CD2-CD1 4.25Å; H245-L281 HydrophobicContact CB-CB 4.46Å; H245-L281 HydrophobicContact CB-CD1 3.84Å; H245-L281 HydrophobicContact CB-CD2 4.07Å; H245-L281 HydrophobicContact CB-CG 4.34Å; Q246-L281 HydrophobicContact CG-CD2 3.96Å; K249-L281 WeakPolarHBondContact CD-O 3.32Å; K249-L281 WeakPolarHBondContact CG-O 3.5Å; A277-L281 HydrophobicContact CB-CD1 4.44Å; A277-L281 WeakPolarHBondContact O-CB 3.46Å; A277-L281 WeakPolarHBondContact O-CG 3.45Å; A277-L281 PolarHBondContact O-N 3.4Å; S278-L281 PolarHBondContact O-N 3.08Å
282	Y	90.9	Very high	93	Very high	31 Å²	31	59.4 Å²	59.4	12%	0.122	33%	0.327	C	S	.	.	H	α-helix	trans	-107.1	-3.5	-172.2	-65.5	-84.3	0	0	0	114.3	S214 T217 Q218 L221 H245 L248 S278 S284	S214-Y282 WeakPolarHBondContact O-CE1 3.26Å; T217-Y282 VanDerWaalsContact C-OH 3.27Å; T217-Y282 WeakPolarHBondContact CB-OH 3.46Å; T217-Y282 VanDerWaalsContact CG2-OH 3.3Å; T217-Y282 WeakPolarHBondContact CG2-OH 3.19Å; T217-Y282 PolarHBondContact O-OH 2.94Å; Q218-Y282 HydrophobicContact CB-CD1 3.84Å; Q218-Y282 HydrophobicContact CB-CD2 4.04Å; Q218-Y282 HydrophobicContact CB-CE1 3.8Å; Q218-Y282 HydrophobicContact CB-CE2 4.01Å; Q218-Y282 HydrophobicContact CB-CG 3.97Å; Q218-Y282 HydrophobicContact CG-CD1 4.18Å; Q218-Y282 HydrophobicContact CG-CD2 3.76Å; Q218-Y282 HydrophobicContact CG-CE2 4.14Å; Q218-Y282 HydrophobicContact CG-CG 3.8Å; Q218-Y282 PolarHBondContact N-OH 2.81Å; L221-Y282 HydrophobicContact CD2-CD2 4.41Å; L221-Y282 HydrophobicContact CD2-CE2 4.12Å; H245-Y282 HydrophobicContact CB-CE2 4.48Å; H245-Y282 AromaticContact ND1-CE2 3.95Å; H245-Y282 AromaticContact ND1-CZ 3.84Å; H245-Y282 PolarHBondContact ND1-OH 3.33Å; L248-Y282 HydrophobicContact CD2-CE1 4.36Å; S278-Y282 WeakPolarHBondContact O-CA 3.47Å; S278-Y282 WeakPolarHBondContact O-CB 3.46Å; S278-Y282 PolarHBondContact O-N 3.13Å; Y282-S284 PolarHBondContact O-N 2.87Å; Y282-S284 VanDerWaalsContact O-N 3.07Å
283	S	90.1	Very high	92.8	Very high	105 Å²	105	55.5 Å²	55.5	73%	0.734	31%	0.31	S	S	*	.	S	Bend	trans	58.3	14	-174.1	-46.9	0	0	0	0	114.6	S278 R279	S278-S283 PolarHBondContact O-N 2.57Å; R279-S283 WeakPolarHBondContact O-CA 3.25Å; R279-S283 PolarHBondContact O-N 2.74Å
284	S	88.3	Confident	92.7	Very high	14 Å²	14	57.7 Å²	57.7	10%	0.098	32%	0.319	C	S	.	.			trans	-128.2	146.7	174.9	64.5	0	0	0	0	109.7	Q218 S278 R279 Y282	Q218-S284 PolarHBondContact NE2-OG 2.64Å; S278-S284 CarbonylContact C-O 3.51Å; S278-S284 WeakPolarHBondContact CB-O 3.45Å; S278-S284 VanDerWaalsContact O-O 3.09Å; S278-S284 PolarHBondContact OG-O 2.8Å; R279-S284 WeakPolarHBondContact CA-O 3.4Å; R279-S284 PolarHBondContact N-O 2.96Å; R279-S284 VanDerWaalsContact N-O 3.13Å; Y282-S284 PolarHBondContact O-N 2.87Å; Y282-S284 VanDerWaalsContact O-N 3.07Å
285	S	90.9	Very high	92.6	Very high	32 Å²	32	59.3 Å²	59.3	22%	0.224	33%	0.334	C	S	.	.			trans	-121.3	146.3	168.2	53.9	0	0	0	0	108.3	Q261	Q261-S285 PolarHBondContact NE2-O 2.92Å
286	P	95.3	Very high	92.5	Very high	16 Å²	16	58.4 Å²	58.4	10%	0.104	33%	0.328	C	S	.	.			trans	-48.5	142.9	176.4	-30.8	38.5	0	0	0	112.5	I262 I270 F274	I262-P286 HydrophobicContact CB-CB 4.35Å; I262-P286 HydrophobicContact CB-CG 4.28Å; I262-P286 HydrophobicContact CG2-CB 4.26Å; I262-P286 HydrophobicContact CG2-CG 4.35Å; I262-P286 WeakPolarHBondContact O-CA 3.34Å; I270-P286 HydrophobicContact CG1-CB 4.36Å; I270-P286 HydrophobicContact CG2-CB 4.46Å; I270-P286 HydrophobicContact CG2-CG 4.15Å; F274-P286 HydrophobicContact CD1-CG 3.9Å; F274-P286 HydrophobicContact CE1-CG 3.68Å
287	R	96	Very high	92.6	Very high	89 Å²	89	55.8 Å²	55.8	34%	0.336	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.7	-178.1	-66.3	-175.2	86.5	-134.1	-4.4	109.8	I262 F263 H264	I262-R287 PolarHBondContact O-N 2.92Å; F263-R287 CarbonylContact C-O 3.34Å; F263-R287 VanDerWaalsContact CA-O 3.24Å; F263-R287 WeakPolarHBondContact CA-O 3.3Å; F263-R287 HydrophobicContact CD1-CB 3.77Å; F263-R287 HydrophobicContact CE1-CB 3.85Å; F263-R287 HydrophobicContact CG-CB 4.48Å; H264-R287 PolarHBondContact CD2-O 2.88Å; H264-R287 PolarHBondContact N-O 2.83Å
288	V	96.4	Very high	92.7	Very high	83 Å²	83	61.1 Å²	61.1	50%	0.503	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	139.4	175.9	75.2	0	0	0	0	110.4	H264 P266	H264-V288 PolarHBondContact NE2-N 2.88Å; H264-V288 CarbonylContact O-C 3.57Å; H264-V288 WeakPolarHBondContact O-CA 3.47Å; P266-V288 HydrophobicContact CB-CG2 4.18Å; P266-V288 HydrophobicContact CG-CG2 4.02Å
289	L	95.6	Very high	92.8	Very high	9 Å²	9	64 Å²	64	5%	0.047	35%	0.349	C	S	.	.			trans	-84.2	177.1	170.3	-67.6	175.7	0	0	0	110.5	F263 H264 P266 N296 L299 I300 T323	F263-L289 HydrophobicContact CB-CD1 4.37Å; F263-L289 HydrophobicContact CB-CD2 3.88Å; F263-L289 HydrophobicContact CB-CG 4.06Å; F263-L289 HydrophobicContact CD1-CD2 3.71Å; F263-L289 HydrophobicContact CG-CD2 4.14Å; H264-L289 WeakPolarHBondContact O-CB 3.46Å; H264-L289 WeakPolarHBondContact O-CG 3.47Å; H264-L289 PolarHBondContact O-N 2.53Å; P266-L289 WeakPolarHBondContact CG-O 3.46Å; L289-N296 HydrophobicContact CD2-CB 4.11Å; L289-L299 HydrophobicContact CD2-CD2 4.43Å; L289-I300 HydrophobicContact CD2-CD1 3.98Å; L289-T323 HydrophobicContact CD1-CG2 3.73Å
290	S	93	Very high	92.9	Very high	46 Å²	46	57.5 Å²	57.5	32%	0.322	33%	0.325	S	S	.	.			trans	-98.4	175.7	165	78.4	0	0	0	0	110.7	D292 N296	S290-D292 PolarHBondContact O-N 2.91Å; S290-D292 PolarHBondContact OG-N 3.23Å; S290-D292 PolarHBondContact OG-O 2.56Å; S290-N296 WeakPolarHBondContact CA-OD1 3.45Å; S290-N296 WeakPolarHBondContact CB-OD1 3.32Å; S290-N296 PolarHBondContact N-OD1 3.33Å; S290-N296 PolarHBondContact O-ND2 3.17Å; S290-N296 PolarHBondContact O-OD1 2.88Å; S290-N296 PolarHBondContact OG-OD1 3.46Å
291	N	88.8	Confident	93	Very high	156 Å²	156	54.7 Å²	54.7	83%	0.834	31%	0.307	S	S	*	.	S	Bend	trans	-81.3	3.3	173.2	-64	-7.5	0	0	0	113.3	P266	P266-N291 WeakPolarHBondContact CG-OD1 3.38Å
292	D	91.1	Very high	93.3	Very high	86 Å²	86	57.4 Å²	57.4	46%	0.46	33%	0.325	S	S	.	.			trans	-112.3	119.9	-177.4	179.1	-35.9	0	0	0	109.6	S290 D294 A295 N296	S290-D292 PolarHBondContact O-N 2.91Å; S290-D292 PolarHBondContact OG-N 3.23Å; S290-D292 PolarHBondContact OG-O 2.56Å; D292-D294 PolarHBondContact O-N 3.37Å; D292-D294 PolarHBondContact OD1-N 2.9Å; D292-A295 HydrophobicContact CB-CB 3.85Å; D292-A295 PolarHBondContact OD1-N 3.04Å; D292-N296 WeakPolarHBondContact O-CB 3.34Å; D292-N296 PolarHBondContact O-N 2.91Å; D292-N296 PolarHBondContact O-ND2 2.96Å; D292-N296 VanDerWaalsContact O-ND2 3.1Å; D292-N296 PolarHBondContact O-OD1 2.96Å
293	S	90.6	Very high	93.5	Very high	43 Å²	43	57.7 Å²	57.7	30%	0.301	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-34.2	-176.5	52.9	0	0	0	0	113.6	N296 L297	S293-N296 PolarHBondContact O-N 2.95Å; S293-L297 WeakPolarHBondContact O-CB 3.36Å; S293-L297 PolarHBondContact O-N 2.93Å
294	D	91.6	Very high	93.6	Very high	118 Å²	118	52.7 Å²	52.7	63%	0.631	29%	0.291	S	S	*	.	H	α-helix	trans	-77.9	-41.9	-178.1	-69.4	-16.8	0	0	0	109.9	D292 N296 L297 E298	D292-D294 PolarHBondContact O-N 3.37Å; D292-D294 PolarHBondContact OD1-N 2.9Å; D294-N296 VanDerWaalsContact C-N 3.26Å; D294-N296 PolarHBondContact O-N 3.36Å; D294-L297 WeakPolarHBondContact O-CB 3.49Å; D294-L297 PolarHBondContact O-N 3.48Å; D294-E298 PolarHBondContact O-N 2.96Å
295	A	93.7	Very high	93.8	Very high	41 Å²	41	52.6 Å²	52.6	34%	0.339	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-36.6	170.7	0	0	0	0	0	111.9	D292 L299	D292-A295 HydrophobicContact CB-CB 3.85Å; D292-A295 PolarHBondContact OD1-N 3.04Å; A295-L299 WeakPolarHBondContact O-CB 3.43Å; A295-L299 PolarHBondContact O-N 3.47Å
296	N	94.8	Very high	93.8	Very high	11 Å²	11	58.9 Å²	58.9	6%	0.059	31%	0.314	C	S	.	.	H	α-helix	trans	-66.7	-41	174.6	-71	-18	0	0	0	112.5	L289 S290 D292 S293 D294 L299 I300 L319	L289-N296 HydrophobicContact CD2-CB 4.11Å; S290-N296 WeakPolarHBondContact CA-OD1 3.45Å; S290-N296 WeakPolarHBondContact CB-OD1 3.32Å; S290-N296 PolarHBondContact N-OD1 3.33Å; S290-N296 PolarHBondContact O-ND2 3.17Å; S290-N296 PolarHBondContact O-OD1 2.88Å; S290-N296 PolarHBondContact OG-OD1 3.46Å; D292-N296 WeakPolarHBondContact O-CB 3.34Å; D292-N296 PolarHBondContact O-N 2.91Å; D292-N296 PolarHBondContact O-ND2 2.96Å; D292-N296 VanDerWaalsContact O-ND2 3.1Å; D292-N296 PolarHBondContact O-OD1 2.96Å; S293-N296 PolarHBondContact O-N 2.95Å; D294-N296 VanDerWaalsContact C-N 3.26Å; D294-N296 PolarHBondContact O-N 3.36Å; N296-L299 PolarHBondContact O-N 3.09Å; N296-I300 WeakPolarHBondContact O-CB 3.42Å; N296-I300 PolarHBondContact O-N 3.28Å; N296-L319 HydrophobicContact CB-CD1 3.98Å
297	L	94.8	Very high	93.5	Very high	30 Å²	30	61 Å²	61	16%	0.157	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-42.8	177.3	-175	64.5	0	0	0	111.4	S293 D294 N301 L316 L319	S293-L297 WeakPolarHBondContact O-CB 3.36Å; S293-L297 PolarHBondContact O-N 2.93Å; D294-L297 WeakPolarHBondContact O-CB 3.49Å; D294-L297 PolarHBondContact O-N 3.48Å; L297-N301 WeakPolarHBondContact O-CB 3.45Å; L297-N301 PolarHBondContact O-N 2.96Å; L297-N301 PolarHBondContact O-ND2 2.66Å; L297-N301 VanDerWaalsContact O-ND2 3.16Å; L297-L316 HydrophobicContact CD1-CB 3.59Å; L297-L319 HydrophobicContact CB-CD1 4.27Å; L297-L319 HydrophobicContact CD1-CD1 4.39Å; L297-L319 HydrophobicContact CD1-CG 4.32Å
298	E	95.1	Very high	93.1	Very high	137 Å²	137	56.8 Å²	56.8	64%	0.64	31%	0.308	S	S	*	.	H	α-helix	trans	-66.1	-45.8	173.9	-171.1	-176.6	176.1	0	0	111.7	D294 I300 N301 T302	D294-E298 PolarHBondContact O-N 2.96Å; E298-I300 VanDerWaalsContact C-N 3.33Å; E298-I300 PolarHBondContact O-N 3.47Å; E298-N301 PolarHBondContact O-N 2.87Å; E298-T302 WeakPolarHBondContact O-CB 3Å; E298-T302 PolarHBondContact O-N 3.27Å; E298-T302 PolarHBondContact O-OG1 3.48Å
299	L	95.6	Very high	92.6	Very high	61 Å²	61	55.6 Å²	55.6	32%	0.319	30%	0.299	S	S	.	.	H	α-helix	trans	-55.7	-46.6	177.8	173	66.1	0	0	0	111.8	F263 L289 A295 N296 W303	F263-L299 HydrophobicContact CE1-CD2 4.45Å; F263-L299 HydrophobicContact CE1-CG 4.46Å; L289-L299 HydrophobicContact CD2-CD2 4.43Å; A295-L299 WeakPolarHBondContact O-CB 3.43Å; A295-L299 PolarHBondContact O-N 3.47Å; N296-L299 PolarHBondContact O-N 3.09Å; L299-W303 VanDerWaalsContact O-CB 3.27Å; L299-W303 WeakPolarHBondContact O-CB 3.17Å; L299-W303 PolarHBondContact O-N 3.01Å
300	I	95.1	Very high	92.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-67	-54.2	179.1	-80.9	162.3	0	0	0	110.6	F263 L289 N296 E298 T302 W303 V304 L316 L319 L328	F263-I300 HydrophobicContact CD1-CD1 4.47Å; F263-I300 HydrophobicContact CD1-CG1 4.07Å; F263-I300 HydrophobicContact CD2-CD1 4.33Å; F263-I300 HydrophobicContact CD2-CG1 4Å; F263-I300 HydrophobicContact CE1-CG1 3.92Å; F263-I300 HydrophobicContact CE2-CG1 3.86Å; F263-I300 HydrophobicContact CG-CD1 4.22Å; F263-I300 HydrophobicContact CG-CG1 4.1Å; F263-I300 HydrophobicContact CZ-CG1 3.81Å; L289-I300 HydrophobicContact CD2-CD1 3.98Å; N296-I300 WeakPolarHBondContact O-CB 3.42Å; N296-I300 PolarHBondContact O-N 3.28Å; E298-I300 VanDerWaalsContact C-N 3.33Å; E298-I300 PolarHBondContact O-N 3.47Å; I300-T302 VanDerWaalsContact C-N 3.32Å; I300-T302 PolarHBondContact O-N 3.35Å; I300-W303 PolarHBondContact O-N 3.41Å; I300-W303 VanDerWaalsContact O-N 3.11Å; I300-V304 WeakPolarHBondContact O-CG2 3.46Å; I300-V304 PolarHBondContact O-N 2.89Å; I300-L316 HydrophobicContact CB-CD1 4.49Å; I300-L316 HydrophobicContact CD1-CD1 4.13Å; I300-L316 HydrophobicContact CG2-CD1 3.72Å; I300-L316 HydrophobicContact CG2-CG 4.12Å; I300-L319 HydrophobicContact CD1-CD1 3.77Å; I300-L328 HydrophobicContact CB-CD1 4.29Å; I300-L328 HydrophobicContact CD1-CD1 4.2Å; I300-L328 HydrophobicContact CG1-CD1 4.01Å; I300-L328 HydrophobicContact CG2-CD1 3.34Å
301	N	95.6	Very high	92	Very high	18 Å²	18	60.8 Å²	60.8	10%	0.096	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-39.2	-176.9	-77.1	-42.2	0	0	0	111.7	L297 E298 W303 V304 A305 R314 L315 L316	L297-N301 WeakPolarHBondContact O-CB 3.45Å; L297-N301 PolarHBondContact O-N 2.96Å; L297-N301 PolarHBondContact O-ND2 2.66Å; L297-N301 VanDerWaalsContact O-ND2 3.16Å; E298-N301 PolarHBondContact O-N 2.87Å; N301-W303 PolarHBondContact O-N 2.97Å; N301-V304 PolarHBondContact O-N 3.01Å; N301-A305 VanDerWaalsContact O-CB 3.27Å; N301-A305 WeakPolarHBondContact O-CB 3.48Å; N301-A305 PolarHBondContact O-N 2.74Å; N301-R314 WeakPolarHBondContact OD1-CA 3.29Å; N301-L315 PolarHBondContact OD1-N 2.91Å; N301-L316 PolarHBondContact ND2-O 2.85Å; N301-L316 PolarHBondContact OD1-N 3.29Å
302	T	95.9	Very high	91.9	Very high	80 Å²	80	53.5 Å²	53.5	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-40.2	173.7	-60.5	0	0	0	0	112.2	E298 I300 K306	E298-T302 WeakPolarHBondContact O-CB 3Å; E298-T302 PolarHBondContact O-N 3.27Å; E298-T302 PolarHBondContact O-OG1 3.48Å; I300-T302 VanDerWaalsContact C-N 3.32Å; I300-T302 PolarHBondContact O-N 3.35Å; T302-K306 VanDerWaalsContact O-CB 3.29Å; T302-K306 WeakPolarHBondContact O-CB 3.49Å; T302-K306 PolarHBondContact O-N 2.89Å
303	W	94.6	Very high	91.9	Very high	37 Å²	37	53.3 Å²	53.3	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-44.2	174.7	178.5	92.6	0	0	0	111.4	V259 Q261 F263 L299 I300 N301 K306 N307	V259-W303 HydrophobicContact CB-CH2 3.92Å; V259-W303 HydrophobicContact CB-CZ3 4.48Å; V259-W303 HydrophobicContact CG2-CH2 3.98Å; V259-W303 HydrophobicContact CG2-CZ3 4.04Å; Q261-W303 HydrophobicContact CB-CE3 4.41Å; Q261-W303 HydrophobicContact CB-CH2 3.37Å; Q261-W303 HydrophobicContact CB-CZ2 3.69Å; Q261-W303 HydrophobicContact CB-CZ3 3.75Å; Q261-W303 HydrophobicContact CG-CH2 4.12Å; Q261-W303 HydrophobicContact CG-CZ2 3.97Å; Q261-W303 HydrophobicContact CG-CZ3 4.45Å; F263-W303 HydrophobicContact CE2-CE3 4.36Å; F263-W303 HydrophobicContact CZ-CB 4.41Å; F263-W303 HydrophobicContact CZ-CD2 4.23Å; F263-W303 HydrophobicContact CZ-CE3 4.41Å; F263-W303 HydrophobicContact CZ-CG 4.22Å; L299-W303 VanDerWaalsContact O-CB 3.27Å; L299-W303 WeakPolarHBondContact O-CB 3.17Å; L299-W303 PolarHBondContact O-N 3.01Å; I300-W303 PolarHBondContact O-N 3.41Å; I300-W303 VanDerWaalsContact O-N 3.11Å; N301-W303 PolarHBondContact O-N 2.97Å; W303-K306 PolarHBondContact O-N 3.37Å; W303-N307 PolarHBondContact NE1-ND2 3.08Å; W303-N307 PolarHBondContact O-N 2.94Å; W303-N307 PolarHBondContact O-ND2 3.06Å
304	V	92.9	Very high	91.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-45.9	177.1	-178.2	0	0	0	0	110.7	I300 N301 K306 N307 T308 I312 L315 A330	I300-V304 WeakPolarHBondContact O-CG2 3.46Å; I300-V304 PolarHBondContact O-N 2.89Å; N301-V304 PolarHBondContact O-N 3.01Å; V304-K306 PolarHBondContact O-N 2.81Å; V304-N307 PolarHBondContact O-N 3.12Å; V304-T308 HydrophobicContact CG1-CG2 3.97Å; V304-T308 WeakPolarHBondContact O-CB 3.36Å; V304-T308 VanDerWaalsContact O-CG2 3.31Å; V304-T308 WeakPolarHBondContact O-CG2 3.47Å; V304-T308 PolarHBondContact O-N 2.81Å; V304-T308 PolarHBondContact O-OG1 3.24Å; V304-I312 HydrophobicContact CG1-CB 4.01Å; V304-I312 HydrophobicContact CG1-CG2 3.58Å; V304-L315 HydrophobicContact CB-CB 4.42Å; V304-L315 HydrophobicContact CG1-CB 4.23Å; V304-L315 HydrophobicContact CG1-CD2 4.45Å; V304-L315 HydrophobicContact CG2-CB 4.03Å; V304-L315 HydrophobicContact CG2-CD2 3.64Å; V304-L315 HydrophobicContact CG2-CG 4.49Å; V304-A330 HydrophobicContact CG1-CB 3.61Å
305	A	92.1	Very high	91.8	Very high	12 Å²	12	52 Å²	52	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-56	-49.8	177.2	0	0	0	0	0	111.3	N301 N307 T308 N309 N310 I312	N301-A305 VanDerWaalsContact O-CB 3.27Å; N301-A305 WeakPolarHBondContact O-CB 3.48Å; N301-A305 PolarHBondContact O-N 2.74Å; A305-N307 PolarHBondContact O-N 3.43Å; A305-T308 CarbonylContact O-C 3.52Å; A305-T308 PolarHBondContact O-N 3.46Å; A305-N309 PolarHBondContact O-N 3.42Å; A305-N309 VanDerWaalsContact O-N 3.13Å; A305-N310 PolarHBondContact O-N 2.96Å; A305-N310 PolarHBondContact O-OD1 2.95Å; A305-I312 VanDerWaalsContact CA-O 3.24Å; A305-I312 WeakPolarHBondContact CA-O 3.43Å; A305-I312 PolarHBondContact N-O 2.87Å
306	K	91.9	Very high	91.8	Very high	164 Å²	164	50.3 Å²	50.3	71%	0.713	25%	0.253	S	S	*	.	H	α-helix	trans	-59	-48.6	178	-177.8	176.2	179	177.6	0	112.6	T302 W303 V304 T308	T302-K306 VanDerWaalsContact O-CB 3.29Å; T302-K306 WeakPolarHBondContact O-CB 3.49Å; T302-K306 PolarHBondContact O-N 2.89Å; W303-K306 PolarHBondContact O-N 3.37Å; V304-K306 PolarHBondContact O-N 2.81Å; K306-T308 VanDerWaalsContact C-N 3.33Å
307	N	88.5	Confident	91.6	Very high	61 Å²	61	54.5 Å²	54.5	33%	0.326	28%	0.275	S	S	.	.	H	α-helix	trans	-81.2	-11.8	-175.9	-62.6	-80.2	0	0	0	113.3	V259 W303 V304 A305	V259-N307 HydrophobicContact CB-CB 4.39Å; V259-N307 HydrophobicContact CG1-CB 3.83Å; V259-N307 HydrophobicContact CG2-CB 4.44Å; W303-N307 PolarHBondContact NE1-ND2 3.08Å; W303-N307 PolarHBondContact O-N 2.94Å; W303-N307 PolarHBondContact O-ND2 3.06Å; V304-N307 PolarHBondContact O-N 3.12Å; A305-N307 PolarHBondContact O-N 3.43Å
308	T	86.7	Confident	91.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	14	172.8	65.9	0	0	0	0	113.8	V259 V304 A305 K306 N310 K311 I312 A330 Y332	V259-T308 HydrophobicContact CG2-CG2 3.93Å; V304-T308 HydrophobicContact CG1-CG2 3.97Å; V304-T308 WeakPolarHBondContact O-CB 3.36Å; V304-T308 VanDerWaalsContact O-CG2 3.31Å; V304-T308 WeakPolarHBondContact O-CG2 3.47Å; V304-T308 PolarHBondContact O-N 2.81Å; V304-T308 PolarHBondContact O-OG1 3.24Å; A305-T308 CarbonylContact O-C 3.52Å; A305-T308 PolarHBondContact O-N 3.46Å; K306-T308 VanDerWaalsContact C-N 3.33Å; T308-N310 PolarHBondContact O-N 2.99Å; T308-K311 VanDerWaalsContact O-CB 3.26Å; T308-K311 WeakPolarHBondContact O-CB 3.3Å; T308-K311 WeakPolarHBondContact O-CG 3.37Å; T308-K311 PolarHBondContact O-N 2.96Å; T308-I312 HydrophobicContact CG2-CB 4.18Å; T308-I312 HydrophobicContact CG2-CD1 4.32Å; T308-I312 PolarHBondContact OG1-N 3.41Å; T308-I312 VanDerWaalsContact OG1-N 3.12Å; T308-I312 PolarHBondContact OG1-O 3.2Å; T308-A330 HydrophobicContact CG2-CB 4.01Å; T308-Y332 HydrophobicContact CG2-CD1 4.31Å; T308-Y332 VanDerWaalsContact O-CE1 3.29Å; T308-Y332 WeakPolarHBondContact O-CE1 3.27Å
309	N	86.1	Confident	91	Very high	57 Å²	57	51.8 Å²	51.8	31%	0.305	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	41.8	-178	-62.6	-72.4	0	0	0	113.1	A305 K311 Y332	A305-N309 PolarHBondContact O-N 3.42Å; A305-N309 VanDerWaalsContact O-N 3.13Å; N309-K311 PolarHBondContact O-N 3.25Å; N309-K311 VanDerWaalsContact O-N 3.16Å; N309-Y332 PolarHBondContact ND2-OH 3.46Å
310	N	88.4	Confident	90.6	Very high	119 Å²	119	51.5 Å²	51.5	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	16	-175.5	-59	-30.2	0	0	0	115.3	A305 T308 I312	A305-N310 PolarHBondContact O-N 2.96Å; A305-N310 PolarHBondContact O-OD1 2.95Å; T308-N310 PolarHBondContact O-N 2.99Å; N310-I312 VanDerWaalsContact C-N 3.33Å
311	K	87.2	Confident	90.2	Very high	46 Å²	46	57 Å²	57	20%	0.2	31%	0.313	C	S	.	.	S	Bend	trans	-73.8	-27.1	172.4	-64	-68.9	-176.6	169.6	0	112.4	T308 N309 Y332 S334	T308-K311 VanDerWaalsContact O-CB 3.26Å; T308-K311 WeakPolarHBondContact O-CB 3.3Å; T308-K311 WeakPolarHBondContact O-CG 3.37Å; T308-K311 PolarHBondContact O-N 2.96Å; N309-K311 PolarHBondContact O-N 3.25Å; N309-K311 VanDerWaalsContact O-N 3.16Å; K311-Y332 HydrophobicContact CB-CD1 4.19Å; K311-Y332 HydrophobicContact CB-CD2 3.92Å; K311-Y332 HydrophobicContact CB-CE2 4.29Å; K311-Y332 HydrophobicContact CB-CG 3.86Å; K311-Y332 HydrophobicContact CG-CD2 3.67Å; K311-Y332 HydrophobicContact CG-CE2 3.65Å; K311-Y332 HydrophobicContact CG-CG 4.13Å; K311-S334 WeakPolarHBondContact CE-OG 3.32Å; K311-S334 PolarHBondContact NZ-OG 3.25Å
312	I	88.4	Confident	89.7	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	33%	0.333	C	S	.	.	S	Bend	trans	-124.9	93	169.5	-63.9	169.4	0	0	0	107.1	V304 A305 T308 N310 L315 A330 Q491 V493	V304-I312 HydrophobicContact CG1-CB 4.01Å; V304-I312 HydrophobicContact CG1-CG2 3.58Å; A305-I312 VanDerWaalsContact CA-O 3.24Å; A305-I312 WeakPolarHBondContact CA-O 3.43Å; A305-I312 PolarHBondContact N-O 2.87Å; T308-I312 HydrophobicContact CG2-CB 4.18Å; T308-I312 HydrophobicContact CG2-CD1 4.32Å; T308-I312 PolarHBondContact OG1-N 3.41Å; T308-I312 VanDerWaalsContact OG1-N 3.12Å; T308-I312 PolarHBondContact OG1-O 3.2Å; N310-I312 VanDerWaalsContact C-N 3.33Å; I312-L315 HydrophobicContact CG2-CB 4.39Å; I312-A330 HydrophobicContact CD1-CB 3.84Å; I312-Q491 HydrophobicContact CD1-CB 4.3Å; I312-Q491 HydrophobicContact CD1-CG 4.12Å; I312-Q491 HydrophobicContact CG1-CG 4.38Å; I312-Q491 HydrophobicContact CG2-CG 4.29Å; I312-V493 HydrophobicContact CD1-CG2 4.09Å; I312-V493 HydrophobicContact CG1-CG2 3.67Å
313	S	89.4	Confident	89.6	Confident	83 Å²	83	57.7 Å²	57.7	58%	0.58	31%	0.313	S	S	*	.	S	Bend	trans	-84.3	-24.7	-179	52.9	0	0	0	0	113.9
314	R	90.5	Very high	89.5	Confident	132 Å²	132	57.7 Å²	57.7	50%	0.498	31%	0.313	S	S	.	.			trans	-139.4	111.3	177.9	-167.9	179.5	-169.2	-174.1	-1	109.3	N301 L316 D317 Q491	N301-R314 WeakPolarHBondContact OD1-CA 3.29Å; R314-L316 VanDerWaalsContact CG-O 3.32Å; R314-L316 WeakPolarHBondContact CG-O 3.45Å; R314-L316 PolarHBondContact NE-O 2.64Å; R314-D317 WeakPolarHBondContact CD-OD1 3.39Å; R314-D317 IonicContact CZ-OD1 3.29Å; R314-D317 IonicContact NE-OD1 3.73Å; R314-D317 PolarHBondContact NE-OD1 2.8Å; R314-D317 IonicContact NH1-OD1 2.9Å; R314-D317 PolarHBondContact NH1-OD1 2.93Å; R314-D317 PolarHBondContact NH2-O 2.71Å; R314-D317 IonicContact NH2-OD1 3.24Å; R314-Q491 PolarHBondContact O-OE1 3.29Å; R314-Q491 VanDerWaalsContact O-OE1 3.08Å
315	L	91.3	Very high	89.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-95.3	-42.5	174.6	177.5	61.7	0	0	0	111.2	N301 V304 I312 L328 N453 Q489 Q491	N301-L315 PolarHBondContact OD1-N 2.91Å; V304-L315 HydrophobicContact CB-CB 4.42Å; V304-L315 HydrophobicContact CG1-CB 4.23Å; V304-L315 HydrophobicContact CG1-CD2 4.45Å; V304-L315 HydrophobicContact CG2-CB 4.03Å; V304-L315 HydrophobicContact CG2-CD2 3.64Å; V304-L315 HydrophobicContact CG2-CG 4.49Å; I312-L315 HydrophobicContact CG2-CB 4.39Å; L315-L328 HydrophobicContact CD2-CB 3.95Å; L315-L328 HydrophobicContact CD2-CD1 4.23Å; L315-L328 HydrophobicContact CD2-CD2 3.87Å; L315-L328 HydrophobicContact CD2-CG 4.24Å; L315-N453 PolarHBondContact O-ND2 3.42Å; L315-Q489 HydrophobicContact CD1-CB 4.22Å; L315-Q489 HydrophobicContact CD1-CG 3.66Å; L315-Q489 HydrophobicContact CG-CB 4.24Å; L315-Q489 HydrophobicContact CG-CG 3.97Å; L315-Q491 HydrophobicContact CD1-CB 3.36Å; L315-Q491 HydrophobicContact CD1-CG 4.48Å
316	L	92.4	Very high	89.8	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.037	31%	0.309	C	S	.	.			trans	-108.7	134.2	178.8	-62.6	-176.4	0	0	0	110.5	L297 I300 N301 R314 L319 L328 Q489	L297-L316 HydrophobicContact CD1-CB 3.59Å; I300-L316 HydrophobicContact CB-CD1 4.49Å; I300-L316 HydrophobicContact CD1-CD1 4.13Å; I300-L316 HydrophobicContact CG2-CD1 3.72Å; I300-L316 HydrophobicContact CG2-CG 4.12Å; N301-L316 PolarHBondContact ND2-O 2.85Å; N301-L316 PolarHBondContact OD1-N 3.29Å; R314-L316 VanDerWaalsContact CG-O 3.32Å; R314-L316 WeakPolarHBondContact CG-O 3.45Å; R314-L316 PolarHBondContact NE-O 2.64Å; L316-L319 HydrophobicContact CD1-CD1 4.08Å; L316-L319 HydrophobicContact CD1-CD2 3.57Å; L316-L319 HydrophobicContact CD1-CG 3.77Å; L316-L328 HydrophobicContact CD1-CD2 4.24Å; L316-L328 HydrophobicContact CD2-CD2 4.09Å; L316-L328 HydrophobicContact CG-CD2 4.31Å; L316-Q489 HydrophobicContact CD2-CB 3.72Å; L316-Q489 HydrophobicContact CD2-CG 3.83Å
317	D	90.3	Very high	90	Very high	98 Å²	98	49.4 Å²	49.4	52%	0.524	28%	0.275	S	S	.	.	S	Bend	trans	-85.9	-32	172.7	-72.6	-52.7	0	0	0	112.3	R314	R314-D317 WeakPolarHBondContact CD-OD1 3.39Å; R314-D317 IonicContact CZ-OD1 3.29Å; R314-D317 IonicContact NE-OD1 3.73Å; R314-D317 PolarHBondContact NE-OD1 2.8Å; R314-D317 IonicContact NH1-OD1 2.9Å; R314-D317 PolarHBondContact NH1-OD1 2.93Å; R314-D317 PolarHBondContact NH2-O 2.71Å; R314-D317 IonicContact NH2-OD1 3.24Å
318	S	90.3	Very high	90.4	Very high	90 Å²	90	46.5 Å²	46.5	63%	0.629	26%	0.26	S	S	*	.			trans	-153.6	168.6	177.4	57.1	0	0	0	0	110.7
319	L	88.5	Confident	90.7	Very high	21 Å²	21	46.6 Å²	46.6	11%	0.11	26%	0.26	C	S	.	.			trans	-133.3	140.8	169.9	-84.5	166.8	0	0	0	110	N296 L297 I300 L316 T323 V326	N296-L319 HydrophobicContact CB-CD1 3.98Å; L297-L319 HydrophobicContact CB-CD1 4.27Å; L297-L319 HydrophobicContact CD1-CD1 4.39Å; L297-L319 HydrophobicContact CD1-CG 4.32Å; I300-L319 HydrophobicContact CD1-CD1 3.77Å; L316-L319 HydrophobicContact CD1-CD1 4.08Å; L316-L319 HydrophobicContact CD1-CD2 3.57Å; L316-L319 HydrophobicContact CD1-CG 3.77Å; L319-T323 HydrophobicContact CD2-CG2 4.37Å; L319-V326 HydrophobicContact CD2-CG2 4.13Å
320	P	86.8	Confident	91	Very high	55 Å²	55	44 Å²	44	36%	0.357	25%	0.246	S	C	.	.			trans	-59.9	146.3	169.5	-22	32.8	0	0	0	112.2	D322 T323	P320-D322 WeakPolarHBondContact CB-OD1 3.4Å; P320-D322 PolarHBondContact O-N 3.19Å; P320-T323 WeakPolarHBondContact CD-OG1 3.42Å; P320-T323 WeakPolarHBondContact O-CB 3.21Å; P320-T323 PolarHBondContact O-N 3.46Å; P320-T323 PolarHBondContact O-OG1 2.89Å
321	S	85.7	Confident	91.2	Very high	116 Å²	116	38.3 Å²	38.3	81%	0.811	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-24.1	177.7	49.2	0	0	0	0	113.3	T323	S321-T323 VanDerWaalsContact C-N 3.34Å
322	D	86.4	Confident	91.4	Very high	97 Å²	97	36.3 Å²	36.3	52%	0.519	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	25.5	177.9	61	-36.2	0	0	0	112.7	P320 R324	P320-D322 WeakPolarHBondContact CB-OD1 3.4Å; P320-D322 PolarHBondContact O-N 3.19Å; D322-R324 PolarHBondContact O-N 2.83Å; D322-R324 VanDerWaalsContact O-N 3.08Å
323	T	92.2	Very high	91.2	Very high	14 Å²	14	36.2 Å²	36.2	9%	0.086	21%	0.207	C	C	.	.			trans	-63.3	108.1	179	-69.2	0	0	0	0	111.8	L289 L319 P320 S321 V326 S486	L289-T323 HydrophobicContact CD1-CG2 3.73Å; L319-T323 HydrophobicContact CD2-CG2 4.37Å; P320-T323 WeakPolarHBondContact CD-OG1 3.42Å; P320-T323 WeakPolarHBondContact O-CB 3.21Å; P320-T323 PolarHBondContact O-N 3.46Å; P320-T323 PolarHBondContact O-OG1 2.89Å; S321-T323 VanDerWaalsContact C-N 3.34Å; T323-V326 HydrophobicContact CG2-CG2 3.17Å; T323-S486 WeakPolarHBondContact CA-OG 3.29Å
324	R	92.7	Very high	90.4	Very high	37 Å²	37	32.4 Å²	32.4	14%	0.14	18%	0.18	C	C	.	.			trans	-97.2	-41.2	173.7	-59.3	-162.8	80.4	-149.7	0.7	113.4	H264 S265 D267 D322 D480 D482 S486	H264-R324 CarbonylContact C-O 3.28Å; H264-R324 VanDerWaalsContact CA-O 3.23Å; H264-R324 WeakPolarHBondContact CA-O 3.38Å; S265-R324 PolarHBondContact N-O 3.41Å; D267-R324 IonicContact OD2-CZ 2.72Å; D267-R324 IonicContact OD2-NE 3Å; D267-R324 PolarHBondContact OD2-NE 3.35Å; D267-R324 VanDerWaalsContact OD2-NE 3.1Å; D267-R324 IonicContact OD2-NH2 3.36Å; D267-R324 PolarHBondContact OD2-NH2 3.34Å; D322-R324 PolarHBondContact O-N 2.83Å; D322-R324 VanDerWaalsContact O-N 3.08Å; R324-D480 IonicContact CZ-OD1 2.7Å; R324-D480 IonicContact CZ-OD2 3.76Å; R324-D480 VanDerWaalsContact NH1-CG 3.34Å; R324-D480 IonicContact NH1-OD1 2.87Å; R324-D480 PolarHBondContact NH1-OD1 2.87Å; R324-D480 IonicContact NH1-OD2 2.85Å; R324-D480 PolarHBondContact NH1-OD2 3.3Å; R324-D480 IonicContact NH2-OD1 3.13Å; R324-D480 IonicContact NH2-OD2 3.73Å; R324-D480 PolarHBondContact NH2-OD2 3.37Å; R324-D482 PolarHBondContact NH1-O 3.39Å; R324-S486 PolarHBondContact N-OG 3.4Å
325	L	95.6	Very high	89.3	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	128.2	-176.8	-174.4	66.4	0	0	0	111	I262 H264 L268 L327 L474 L477 L483 V485 S486	I262-L325 HydrophobicContact CG2-CD1 3.55Å; H264-L325 HydrophobicContact CB-CD1 4.36Å; L268-L325 HydrophobicContact CD2-CD1 4.4Å; L325-L327 HydrophobicContact CG-CD2 4.48Å; L325-L474 HydrophobicContact CD2-CD1 4.16Å; L325-L477 HydrophobicContact CD1-CD2 4.27Å; L325-L477 HydrophobicContact CD2-CD2 4.09Å; L325-L483 HydrophobicContact CB-CD1 4.28Å; L325-L483 HydrophobicContact CD2-CD1 4.1Å; L325-L483 HydrophobicContact CD2-CD2 4.22Å; L325-L483 HydrophobicContact CD2-CG 4.34Å; L325-V485 HydrophobicContact CD2-CG2 4.02Å; L325-S486 PolarHBondContact O-N 3.4Å
326	V	96.4	Very high	87.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.9	-179.9	-170.3	0	0	0	0	110.1	I262 F263 L319 T323 L328 A487	I262-V326 WeakPolarHBondContact CA-O 3.31Å; F263-V326 HydrophobicContact CB-CB 4.26Å; F263-V326 PolarHBondContact N-O 2.83Å; F263-V326 PolarHBondContact O-N 3.07Å; L319-V326 HydrophobicContact CD2-CG2 4.13Å; T323-V326 HydrophobicContact CG2-CG2 3.17Å; V326-L328 HydrophobicContact CG1-CD1 4.26Å; V326-L328 HydrophobicContact CG1-CD2 3.54Å; V326-L328 HydrophobicContact CG1-CG 3.75Å; V326-A487 WeakPolarHBondContact CA-O 3.38Å; V326-A487 HydrophobicContact CG1-CB 4.16Å
327	L	97	Very high	85.4	Confident	2 Å²	2	38 Å²	38	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	108.3	-177.4	-59.6	-178.4	0	0	0	109.5	L215 V219 I262 L325 F468 V485 A487 M488 Q489	L215-L327 HydrophobicContact CD1-CB 4.39Å; L215-L327 HydrophobicContact CD2-CB 4.08Å; L215-L327 HydrophobicContact CG-CB 4.5Å; V219-L327 HydrophobicContact CG2-CD1 3.78Å; V219-L327 HydrophobicContact CG2-CD2 3.88Å; V219-L327 HydrophobicContact CG2-CG 4.49Å; I262-L327 HydrophobicContact CB-CD2 4.49Å; I262-L327 HydrophobicContact CD1-CD2 4.37Å; I262-L327 HydrophobicContact CG1-CD2 3.87Å; I262-L327 HydrophobicContact CG2-CD2 4.22Å; L325-L327 HydrophobicContact CG-CD2 4.48Å; L327-F468 HydrophobicContact CD1-CE1 4.25Å; L327-F468 HydrophobicContact CD1-CE2 4.48Å; L327-F468 HydrophobicContact CD1-CZ 4.05Å; L327-V485 HydrophobicContact CD1-CG1 3.83Å; L327-V485 HydrophobicContact CD1-CG2 3.9Å; L327-V485 HydrophobicContact CG-CG1 3.94Å; L327-V485 HydrophobicContact CG-CG2 4.47Å; L327-A487 PolarHBondContact N-O 2.89Å; L327-M488 HydrophobicContact CB-CB 4.12Å; L327-M488 HydrophobicContact CB-CG 3.8Å; L327-M488 HydrophobicContact CD1-CG 4.45Å; L327-M488 CarbonylContact O-C 3.57Å; L327-M488 VanDerWaalsContact O-CA 3.25Å; L327-M488 WeakPolarHBondContact O-CA 3.23Å; L327-Q489 PolarHBondContact O-N 2.95Å
328	L	95.4	Very high	83.2	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.2	-172	-60.2	-179.9	0	0	0	112.4	S260 Q261 F263 I300 L315 L316 V326 Q489	S260-L328 WeakPolarHBondContact CA-O 3.13Å; Q261-L328 PolarHBondContact N-O 3.2Å; Q261-L328 PolarHBondContact O-N 3.31Å; F263-L328 HydrophobicContact CD2-CD1 3.78Å; F263-L328 HydrophobicContact CD2-CG 4.47Å; F263-L328 HydrophobicContact CE2-CD1 3.76Å; I300-L328 HydrophobicContact CB-CD1 4.29Å; I300-L328 HydrophobicContact CD1-CD1 4.2Å; I300-L328 HydrophobicContact CG1-CD1 4.01Å; I300-L328 HydrophobicContact CG2-CD1 3.34Å; L315-L328 HydrophobicContact CD2-CB 3.95Å; L315-L328 HydrophobicContact CD2-CD1 4.23Å; L315-L328 HydrophobicContact CD2-CD2 3.87Å; L315-L328 HydrophobicContact CD2-CG 4.24Å; L316-L328 HydrophobicContact CD1-CD2 4.24Å; L316-L328 HydrophobicContact CD2-CD2 4.09Å; L316-L328 HydrophobicContact CG-CD2 4.31Å; V326-L328 HydrophobicContact CG1-CD1 4.26Å; V326-L328 HydrophobicContact CG1-CD2 3.54Å; V326-L328 HydrophobicContact CG1-CG 3.75Å; L328-Q489 HydrophobicContact CD2-CB 3.77Å
329	N	94.7	Very high	81.3	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.011	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.2	172.2	-173.6	-104.3	0	0	0	111.6	S211 L215 V259 S260 Q489 H490 Q491	S211-N329 VanDerWaalsContact CB-OD1 3.23Å; S211-N329 WeakPolarHBondContact CB-OD1 3.28Å; S211-N329 PolarHBondContact O-ND2 2.85Å; S211-N329 VanDerWaalsContact O-ND2 3.16Å; S211-N329 PolarHBondContact OG-ND2 3.48Å; S211-N329 PolarHBondContact OG-OD1 2.82Å; L215-N329 HydrophobicContact CD2-CB 3.81Å; V259-N329 WeakPolarHBondContact O-CA 3.49Å; V259-N329 PolarHBondContact O-ND2 3.29Å; S260-N329 PolarHBondContact OG-ND2 3.17Å; N329-Q489 PolarHBondContact N-O 2.04Å; N329-H490 WeakPolarHBondContact O-CA 3.4Å; N329-H490 PolarHBondContact OD1-CE1 3.32Å; N329-H490 VanDerWaalsContact OD1-CE1 3.29Å; N329-H490 PolarHBondContact OD1-ND1 3.12Å; N329-Q491 PolarHBondContact O-N 2.89Å
330	A	91.9	Very high	79.4	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.4	174.9	0	0	0	0	0	109.8	V259 V304 T308 I312 Q491	V259-A330 HydrophobicContact CG2-CB 3.83Å; V259-A330 WeakPolarHBondContact CG2-O 3.29Å; V259-A330 PolarHBondContact N-O 3.23Å; V259-A330 PolarHBondContact O-N 3.43Å; V304-A330 HydrophobicContact CG1-CB 3.61Å; T308-A330 HydrophobicContact CG2-CB 4.01Å; I312-A330 HydrophobicContact CD1-CB 3.84Å; A330-Q491 WeakPolarHBondContact CA-O 3.37Å
331	I	92.8	Very high	77.9	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.7	-179.9	-170	178.1	0	0	0	111.1	S208 V256 T257 Q491 A492 V493 F538	S208-I331 WeakPolarHBondContact OG-CD1 3.46Å; V256-I331 HydrophobicContact CB-CD1 4.4Å; V256-I331 HydrophobicContact CG2-CD1 4.06Å; T257-I331 WeakPolarHBondContact O-CA 3.43Å; T257-I331 WeakPolarHBondContact O-CG1 3.45Å; I331-Q491 PolarHBondContact N-O 3.24Å; I331-A492 HydrophobicContact CG2-CB 4Å; I331-A492 WeakPolarHBondContact O-CA 3.46Å; I331-V493 PolarHBondContact O-N 2.04Å; I331-F538 HydrophobicContact CB-CZ 4.36Å; I331-F538 HydrophobicContact CD1-CD2 4.39Å; I331-F538 HydrophobicContact CD1-CE1 4.48Å; I331-F538 HydrophobicContact CD1-CE2 3.62Å; I331-F538 HydrophobicContact CD1-CZ 3.69Å; I331-F538 HydrophobicContact CG1-CE2 4.04Å; I331-F538 HydrophobicContact CG1-CZ 3.68Å; I331-F538 HydrophobicContact CG2-CE1 3.92Å; I331-F538 HydrophobicContact CG2-CZ 3.92Å
332	Y	90.1	Very high	76.8	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150	170.9	78.8	-81.2	0	0	0	114.7	T257 T308 N309 K311 L343 V493	T257-Y332 VanDerWaalsContact CB-CE1 3.41Å; T257-Y332 HydrophobicContact CG2-CD1 4.31Å; T257-Y332 HydrophobicContact CG2-CE1 3.61Å; T257-Y332 PolarHBondContact N-O 2.95Å; T257-Y332 PolarHBondContact O-N 3.35Å; T308-Y332 HydrophobicContact CG2-CD1 4.31Å; T308-Y332 VanDerWaalsContact O-CE1 3.29Å; T308-Y332 WeakPolarHBondContact O-CE1 3.27Å; N309-Y332 PolarHBondContact ND2-OH 3.46Å; K311-Y332 HydrophobicContact CB-CD1 4.19Å; K311-Y332 HydrophobicContact CB-CD2 3.92Å; K311-Y332 HydrophobicContact CB-CE2 4.29Å; K311-Y332 HydrophobicContact CB-CG 3.86Å; K311-Y332 HydrophobicContact CG-CD2 3.67Å; K311-Y332 HydrophobicContact CG-CE2 3.65Å; K311-Y332 HydrophobicContact CG-CG 4.13Å; Y332-L343 HydrophobicContact CD2-CD1 4.17Å; Y332-L343 HydrophobicContact CE2-CD1 3.43Å; Y332-L343 VanDerWaalsContact CE2-CD1 3.43Å; Y332-V493 CarbonylContact C-O 3.54Å; Y332-V493 WeakPolarHBondContact CA-O 3.34Å
333	L	85.6	Confident	76.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.6	158.4	-175.3	166	0	0	0	105.9	V256 A344 V493 L494 E495 L496 L528 F538	V256-L333 HydrophobicContact CG1-CD1 4.35Å; L333-A344 HydrophobicContact CD1-CB 4.08Å; L333-V493 PolarHBondContact N-O 3.34Å; L333-L494 CarbonylContact O-C 3.39Å; L333-L494 WeakPolarHBondContact O-CA 3.5Å; L333-E495 PolarHBondContact O-N 3.33Å; L333-L496 HydrophobicContact CD2-CD2 3.58Å; L333-L496 HydrophobicContact CD2-CG 4.26Å; L333-L528 HydrophobicContact CD1-CD1 4.27Å; L333-L528 HydrophobicContact CD1-CD2 3.43Å; L333-L528 VanDerWaalsContact CD1-CD2 3.43Å; L333-F538 HydrophobicContact CB-CE2 4.21Å; L333-F538 HydrophobicContact CB-CZ 4.35Å
334	S	71.9	Confident	76	Confident	3 Å²	3	43 Å²	43	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	128.5	176.6	164.9	0	0	0	0	109.8	K311 H336 L343 E495	K311-S334 WeakPolarHBondContact CE-OG 3.32Å; K311-S334 PolarHBondContact NZ-OG 3.25Å; S334-H336 VanDerWaalsContact C-N 3.29Å; S334-H336 PolarHBondContact O-N 3.19Å; S334-H336 PolarHBondContact OG-N 3.44Å; S334-L343 WeakPolarHBondContact O-CD1 3.48Å; S334-E495 PolarHBondContact OG-OE2 2.76Å
335	E	66.4	Low	75.8	Confident	15 Å²	15	44 Å²	44	7%	0.07	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.1	-179.4	-66.4	173.6	-161.8	0	0	113.5	L337 K345 L496 T497 T499	E335-L337 PolarHBondContact O-N 3.12Å; E335-K345 HydrophobicContact CG-CG 4.5Å; E335-L496 VanDerWaalsContact OE1-CA 3.31Å; E335-L496 WeakPolarHBondContact OE1-CA 3.42Å; E335-T497 PolarHBondContact OE1-N 3.15Å; E335-T497 WeakPolarHBondContact OE2-CA 3.47Å; E335-T497 WeakPolarHBondContact OE2-CB 3.41Å; E335-T497 PolarHBondContact OE2-N 3.34Å; E335-T497 VanDerWaalsContact OE2-N 3.08Å; E335-T497 PolarHBondContact OE2-OG1 3.25Å; E335-T499 WeakPolarHBondContact OE2-CB 3.49Å; E335-T499 PolarHBondContact OE2-N 3.48Å; E335-T499 VanDerWaalsContact OE2-N 3.16Å; E335-T499 PolarHBondContact OE2-OG1 2.87Å
336	H	54	Low	75.6	Confident	149 Å²	149	44 Å²	44	69%	0.69	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	1.3	-160.8	-164.7	-75.9	0	0	0	115.8	S334	S334-H336 VanDerWaalsContact C-N 3.29Å; S334-H336 PolarHBondContact O-N 3.19Å; S334-H336 PolarHBondContact OG-N 3.44Å
337	L	48.8	Very low	75.3	Confident	94 Å²	94	48.4 Å²	48.4	49%	0.492	24%	0.242	S	C	.	.	S	Bend	trans	-134.5	117.9	178.6	-102.8	166.2	0	0	0	115.6	E335	E335-L337 PolarHBondContact O-N 3.12Å
338	S	43.4	Very low	75	Confident	50 Å²	50	49.3 Å²	49.3	35%	0.35	25%	0.248	S	C	.	.			trans	64.6	138.9	153.5	67.8	0	0	0	0	120.4	L340 F341	S338-L340 PolarHBondContact O-N 3.33Å; S338-F341 PolarHBondContact O-N 3.43Å
339	H	51.4	Low	74.8	Confident	212 Å²	212	51.1 Å²	51.1	98%	0.981	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	3.6	168.9	-69.3	-101.3	0	0	0	114.3
340	L	47.4	Very low	74.6	Confident	137 Å²	137	51.1 Å²	51.1	72%	0.717	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-23	-175.6	-76.5	152.9	0	0	0	113	S338	S338-L340 PolarHBondContact O-N 3.33Å
341	F	56.4	Low	74.7	Confident	96 Å²	96	53.8 Å²	53.8	42%	0.421	27%	0.273	S	S	.	.			trans	-131.8	111.5	-177.2	-60.9	-71.6	0	0	0	111.5	S338 L343	S338-F341 PolarHBondContact O-N 3.43Å; F341-L343 VanDerWaalsContact C-N 3.29Å; F341-L343 PolarHBondContact O-N 3.15Å
342	P	62.8	Low	74.7	Confident	89 Å²	89	57.6 Å²	57.6	58%	0.578	30%	0.298	S	S	*	.			trans	-79.5	77.6	178.6	33.5	-34.6	0	0	0	110.5	H398	P342-H398 PolarHBondContact O-NE2 2.89Å; P342-H398 VanDerWaalsContact O-NE2 3.15Å
343	L	78.4	Confident	74.9	Confident	11 Å²	11	66.2 Å²	66.2	6%	0.058	34%	0.335	C	S	.	.			trans	-70.4	160.3	166.2	-67.5	168.1	0	0	0	110.6	Y332 S334 F341 K345	Y332-L343 HydrophobicContact CD2-CD1 4.17Å; Y332-L343 HydrophobicContact CE2-CD1 3.43Å; Y332-L343 VanDerWaalsContact CE2-CD1 3.43Å; S334-L343 WeakPolarHBondContact O-CD1 3.48Å; F341-L343 VanDerWaalsContact C-N 3.29Å; F341-L343 PolarHBondContact O-N 3.15Å; L343-K345 PolarHBondContact O-N 3.44Å
344	A	83.1	Confident	75.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.355	C	S	.	.			trans	-61.2	129	177.7	0	0	0	0	0	111	G255 L333 L396 S397 L400	G255-A344 VanDerWaalsContact O-CB 3.31Å; G255-A344 WeakPolarHBondContact O-CB 3.38Å; G255-A344 PolarHBondContact O-N 3.03Å; L333-A344 HydrophobicContact CD1-CB 4.08Å; A344-L396 HydrophobicContact CB-CB 4.48Å; A344-L396 HydrophobicContact CB-CD2 3.99Å; A344-S397 WeakPolarHBondContact CA-OG 3.31Å; A344-L400 HydrophobicContact CB-CD1 3.84Å
345	K	87.5	Confident	76.5	Confident	58 Å²	58	71.9 Å²	71.9	25%	0.252	36%	0.362	S	S	.	.			trans	-127.9	163.6	178.2	-70.2	173.5	-177.3	-178.3	0	108.1	E335 L343 K347 L396 S397 T499 V501	E335-K345 HydrophobicContact CG-CG 4.5Å; L343-K345 PolarHBondContact O-N 3.44Å; K345-K347 PolarHBondContact O-N 3.05Å; K345-L396 CarbonylContact O-C 3.53Å; K345-L396 WeakPolarHBondContact O-CA 3.48Å; K345-L396 VanDerWaalsContact O-CB 3.23Å; K345-L396 WeakPolarHBondContact O-CB 3.19Å; K345-L396 WeakPolarHBondContact O-CG 3.38Å; K345-S397 PolarHBondContact N-OG 3.07Å; K345-S397 VanDerWaalsContact N-OG 3.07Å; K345-S397 PolarHBondContact O-N 3.29Å; K345-S397 PolarHBondContact O-OG 3.13Å; K345-T499 HydrophobicContact CD-CG2 4.2Å; K345-V501 HydrophobicContact CB-CG2 4.21Å
346	W	91.7	Very high	78	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	139.3	171.6	-59	113	0	0	0	111.1	T348 F350 M372 L394 L396 L402 L445 L496 T497 T499 G500 V501	W346-T348 VanDerWaalsContact C-N 3.28Å; W346-T348 VanDerWaalsContact CB-O 3.32Å; W346-T348 WeakPolarHBondContact CB-O 3.35Å; W346-F350 AromaticContact CD1-CD2 3.85Å; W346-F350 AromaticContact CD1-CE2 3.93Å; W346-F350 AromaticContact CD2-CE2 3.88Å; W346-F350 HydrophobicContact CD2-CE2 3.88Å; W346-F350 AromaticContact CE2-CE2 3.74Å; W346-F350 HydrophobicContact CG-CD2 4.19Å; W346-F350 AromaticContact CG-CE2 3.97Å; W346-F350 HydrophobicContact CG-CE2 3.97Å; W346-F350 HydrophobicContact CZ2-CE2 4.24Å; W346-F350 AromaticContact NE1-CD2 3.95Å; W346-F350 AromaticContact NE1-CE2 3.8Å; W346-M372 HydrophobicContact CZ2-CE 4.24Å; W346-L394 HydrophobicContact CE3-CB 4.26Å; W346-L394 HydrophobicContact CH2-CD2 4.05Å; W346-L394 HydrophobicContact CZ3-CB 3.63Å; W346-L394 HydrophobicContact CZ3-CD2 3.83Å; W346-L394 HydrophobicContact CZ3-CG 4.38Å; W346-L396 HydrophobicContact CE3-CD1 3.75Å; W346-L396 HydrophobicContact CE3-CG 3.98Å; W346-L396 HydrophobicContact CZ3-CD1 3.65Å; W346-L396 HydrophobicContact CZ3-CG 4.33Å; W346-L402 HydrophobicContact CH2-CB 4.14Å; W346-L402 HydrophobicContact CH2-CD2 3.69Å; W346-L402 HydrophobicContact CZ3-CB 4.02Å; W346-L402 HydrophobicContact CZ3-CD2 4.39Å; W346-L445 HydrophobicContact CH2-CD2 3.99Å; W346-L445 HydrophobicContact CZ2-CD2 4.1Å; W346-L496 HydrophobicContact CH2-CD1 3.98Å; W346-L496 HydrophobicContact CZ2-CB 3.92Å; W346-L496 HydrophobicContact CZ2-CD1 3.93Å; W346-L496 HydrophobicContact CZ2-CD2 4.38Å; W346-L496 HydrophobicContact CZ2-CG 4.31Å; W346-T497 VanDerWaalsContact CD1-O 3.31Å; W346-T497 PolarHBondContact NE1-O 3.44Å; W346-T499 VanDerWaalsContact CD1-O 3.32Å; W346-T499 PolarHBondContact N-O 3.05Å; W346-G500 CarbonylContact O-C 3.59Å; W346-G500 WeakPolarHBondContact O-CA 3.38Å; W346-V501 PolarHBondContact O-N 2.64Å
347	K	90.4	Very high	80	Confident	92 Å²	92	76.9 Å²	76.9	40%	0.4	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-44.1	170.4	-175.8	171.4	-178.7	176.1	0	109.7	K345 Q395 E502	K345-K347 PolarHBondContact O-N 3.05Å; K347-Q395 HydrophobicContact CB-CB 3.94Å; K347-Q395 HydrophobicContact CB-CG 3.79Å; K347-Q395 HydrophobicContact CD-CB 4.39Å; K347-Q395 HydrophobicContact CD-CG 3.7Å; K347-Q395 HydrophobicContact CG-CG 4.36Å; K347-Q395 PolarHBondContact N-O 2.73Å; K347-E502 VanDerWaalsContact CE-CD 3.49Å; K347-E502 WeakPolarHBondContact CE-OE1 3.3Å; K347-E502 WeakPolarHBondContact CE-OE2 3.4Å; K347-E502 IonicContact NZ-OE1 3.64Å; K347-E502 WeakPolarHBondContact O-CA 3.28Å; K347-E502 WeakPolarHBondContact O-CB 3.29Å; K347-E502 WeakPolarHBondContact O-CG 3.42Å; K347-E502 PolarHBondContact O-N 3.07Å
348	T	90.4	Very high	82.3	Confident	21 Å²	21	75.3 Å²	75.3	13%	0.129	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.4	175.9	-55.5	0	0	0	0	110.8	W346 Y377 E502 A504	W346-T348 VanDerWaalsContact C-N 3.28Å; W346-T348 VanDerWaalsContact CB-O 3.32Å; W346-T348 WeakPolarHBondContact CB-O 3.35Å; T348-Y377 HydrophobicContact CG2-CE2 4.27Å; T348-Y377 VanDerWaalsContact O-CE2 3.29Å; T348-Y377 WeakPolarHBondContact O-CE2 3.33Å; T348-Y377 PolarHBondContact O-OH 2.92Å; T348-Y377 VanDerWaalsContact O-OH 3.08Å; T348-E502 CarbonylContact C-O 3.59Å; T348-E502 WeakPolarHBondContact CA-O 3.21Å; T348-A504 HydrophobicContact CG2-CB 3.8Å
349	T	90.8	Very high	84.9	Confident	39 Å²	39	74.8 Å²	74.8	24%	0.239	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135.3	178.6	-55.7	0	0	0	0	112	E498 G500 E502	T349-E498 WeakPolarHBondContact CG2-O 3.45Å; T349-G500 WeakPolarHBondContact OG1-CA 3.03Å; T349-G500 PolarHBondContact OG1-N 3.38Å; T349-G500 PolarHBondContact OG1-O 3.13Å; T349-E502 PolarHBondContact N-O 3.28Å; T349-E502 PolarHBondContact OG1-O 3.45Å
350	F	92.1	Very high	87.1	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.009	32%	0.318	C	S	.	.			trans	-78.6	147	167.2	-68.3	-96.2	0	0	0	109.9	W346 P352 M372 Y377 L394 L443 L445 E498	W346-F350 AromaticContact CD1-CD2 3.85Å; W346-F350 AromaticContact CD1-CE2 3.93Å; W346-F350 AromaticContact CD2-CE2 3.88Å; W346-F350 HydrophobicContact CD2-CE2 3.88Å; W346-F350 AromaticContact CE2-CE2 3.74Å; W346-F350 HydrophobicContact CG-CD2 4.19Å; W346-F350 AromaticContact CG-CE2 3.97Å; W346-F350 HydrophobicContact CG-CE2 3.97Å; W346-F350 HydrophobicContact CZ2-CE2 4.24Å; W346-F350 AromaticContact NE1-CD2 3.95Å; W346-F350 AromaticContact NE1-CE2 3.8Å; F350-P352 VanDerWaalsContact O-CD 3.27Å; F350-P352 WeakPolarHBondContact O-CD 3.31Å; F350-M372 HydrophobicContact CB-CB 4.44Å; F350-M372 HydrophobicContact CD1-CB 3.69Å; F350-M372 HydrophobicContact CD2-CE 4.46Å; F350-M372 HydrophobicContact CD2-SD 4.23Å; F350-M372 HydrophobicContact CE1-CB 3.99Å; F350-M372 HydrophobicContact CE2-CE 4.21Å; F350-M372 HydrophobicContact CG-CB 4.02Å; F350-M372 HydrophobicContact CG-SD 4.4Å; F350-M372 HydrophobicContact CZ-CE 4.41Å; F350-Y377 HydrophobicContact CD1-CD2 4.17Å; F350-Y377 HydrophobicContact CD1-CE2 4.11Å; F350-Y377 AromaticContact CD2-CE2 3.93Å; F350-Y377 HydrophobicContact CD2-CE2 3.93Å; F350-Y377 AromaticContact CE1-CD2 3.73Å; F350-Y377 HydrophobicContact CE1-CD2 3.73Å; F350-Y377 AromaticContact CE1-CE2 3.73Å; F350-Y377 HydrophobicContact CE1-CE2 3.73Å; F350-Y377 HydrophobicContact CE1-CG 4.46Å; F350-Y377 HydrophobicContact CE2-CD2 4.35Å; F350-Y377 AromaticContact CE2-CE2 3.5Å; F350-Y377 HydrophobicContact CE2-CE2 3.5Å; F350-Y377 VanDerWaalsContact CE2-CE2 3.5Å; F350-Y377 AromaticContact CE2-CZ 3.72Å; F350-Y377 HydrophobicContact CG-CE2 4.21Å; F350-Y377 AromaticContact CZ-CD2 3.84Å; F350-Y377 HydrophobicContact CZ-CD2 3.84Å; F350-Y377 HydrophobicContact CZ-CE1 4.37Å; F350-Y377 AromaticContact CZ-CE2 3.4Å; F350-Y377 HydrophobicContact CZ-CE2 3.4Å; F350-Y377 HydrophobicContact CZ-CG 4.49Å; F350-Y377 AromaticContact CZ-CZ 3.7Å; F350-L394 HydrophobicContact CZ-CD2 4.38Å; F350-L443 HydrophobicContact CE1-CD2 3.66Å; F350-L443 HydrophobicContact CE1-CG 4.3Å; F350-L443 HydrophobicContact CZ-CD2 3.58Å; F350-L445 HydrophobicContact CZ-CD2 4.33Å; F350-E498 HydrophobicContact CB-CB 3.84Å; F350-E498 HydrophobicContact CB-CG 3.84Å; F350-E498 PolarHBondContact N-O 3.12Å
351	D	93.1	Very high	89.4	Confident	57 Å²	57	60.8 Å²	60.8	31%	0.305	30%	0.296	S	S	.	.			trans	-82.9	113.9	174.8	177.6	-2	0	0	0	109.8	K353 K354	D351-K353 PolarHBondContact O-N 2.79Å; D351-K353 VanDerWaalsContact O-N 3.11Å; D351-K353 VanDerWaalsContact OD1-CB 3.3Å; D351-K353 WeakPolarHBondContact OD1-CB 3.2Å; D351-K353 PolarHBondContact OD1-N 3.48Å; D351-K354 HydrophobicContact CB-CB 4.34Å; D351-K354 HydrophobicContact CB-CD 4.09Å; D351-K354 HydrophobicContact CB-CG 3.96Å; D351-K354 WeakPolarHBondContact O-CA 3.14Å; D351-K354 WeakPolarHBondContact O-CB 3.21Å; D351-K354 PolarHBondContact O-N 3Å; D351-K354 IonicContact OD2-NZ 3.67Å; D351-K354 PolarHBondContact OD2-NZ 2.97Å
352	P	92.6	Very high	91.1	Very high	81 Å²	81	57.3 Å²	57.3	53%	0.526	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-61.8	-22.7	-178.5	-21.1	33.8	0	0	0	113.3	F350 K354 T355 E498	F350-P352 VanDerWaalsContact O-CD 3.27Å; F350-P352 WeakPolarHBondContact O-CD 3.31Å; P352-K354 PolarHBondContact O-N 3.29Å; P352-T355 PolarHBondContact O-N 3.18Å; P352-E498 HydrophobicContact CB-CG 4.35Å; P352-E498 HydrophobicContact CG-CB 4Å; P352-E498 HydrophobicContact CG-CG 4.24Å
353	K	94.6	Very high	92.2	Very high	184 Å²	184	58.9 Å²	58.9	80%	0.8	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-72.9	-12.9	174.7	-56.9	179	179.8	179.3	0	112.8	D351	D351-K353 PolarHBondContact O-N 2.79Å; D351-K353 VanDerWaalsContact O-N 3.11Å; D351-K353 VanDerWaalsContact OD1-CB 3.3Å; D351-K353 WeakPolarHBondContact OD1-CB 3.2Å; D351-K353 PolarHBondContact OD1-N 3.48Å
354	K	95.8	Very high	92.5	Very high	95 Å²	95	66.9 Å²	66.9	41%	0.413	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-94.9	-16.4	173.5	-62.5	-172.4	-176.3	79.2	0	112.6	D351 P352 R356 N373	D351-K354 HydrophobicContact CB-CB 4.34Å; D351-K354 HydrophobicContact CB-CD 4.09Å; D351-K354 HydrophobicContact CB-CG 3.96Å; D351-K354 WeakPolarHBondContact O-CA 3.14Å; D351-K354 WeakPolarHBondContact O-CB 3.21Å; D351-K354 PolarHBondContact O-N 3Å; D351-K354 IonicContact OD2-NZ 3.67Å; D351-K354 PolarHBondContact OD2-NZ 2.97Å; P352-K354 PolarHBondContact O-N 3.29Å; K354-R356 WeakPolarHBondContact O-CG 2.96Å; K354-R356 PolarHBondContact O-N 3.31Å; K354-N373 HydrophobicContact CB-CB 4.22Å; K354-N373 WeakPolarHBondContact O-CB 3.29Å
355	T	96.1	Very high	92.9	Very high	27 Å²	27	69.5 Å²	69.5	17%	0.166	34%	0.34	C	S	.	.			trans	-63.5	128.4	174.4	-62.6	0	0	0	0	110.7	P352 P370 M371 E498	P352-T355 PolarHBondContact O-N 3.18Å; T355-P370 HydrophobicContact CG2-CB 4.1Å; T355-M371 VanDerWaalsContact CA-O 3.29Å; T355-M371 WeakPolarHBondContact CA-O 3.39Å; T355-E498 VanDerWaalsContact CB-OE1 3.26Å; T355-E498 WeakPolarHBondContact CB-OE1 3.32Å; T355-E498 VanDerWaalsContact CG2-OE1 3.28Å; T355-E498 WeakPolarHBondContact CG2-OE1 3Å; T355-E498 PolarHBondContact OG1-OE1 2.67Å
356	R	96.6	Very high	93.3	Very high	158 Å²	158	70.8 Å²	70.8	60%	0.596	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	157	-172.1	-73.6	172.8	-174.3	-121	-8.6	111.3	K354 E358 M371	K354-R356 WeakPolarHBondContact O-CG 2.96Å; K354-R356 PolarHBondContact O-N 3.31Å; R356-E358 HydrophobicContact CB-CG 4.22Å; R356-E358 PolarHBondContact O-N 3.41Å; R356-E358 VanDerWaalsContact O-N 3.1Å; R356-M371 PolarHBondContact N-O 3.45Å; R356-M371 VanDerWaalsContact N-O 3.13Å; R356-M371 PolarHBondContact O-N 2.95Å
357	M	97.5	Very high	93.5	Very high	112 Å²	112	71.7 Å²	71.7	55%	0.552	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	94.7	173.5	-67.8	-58.8	-72.8	0	0	109.8	K368 V369 P370	M357-K368 HydrophobicContact CE-CB 4.04Å; M357-K368 WeakPolarHBondContact CE-O 3.3Å; M357-V369 WeakPolarHBondContact CA-O 3.43Å; M357-P370 HydrophobicContact SD-CB 4.36Å; M357-P370 HydrophobicContact SD-CG 3.8Å
358	E	96.8	Very high	93.8	Very high	60 Å²	60	72.3 Å²	72.3	28%	0.28	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	166.3	-177.2	-63.8	-64.9	172.2	0	0	112.3	R356 K368 V369 M371	R356-E358 HydrophobicContact CB-CG 4.22Å; R356-E358 PolarHBondContact O-N 3.41Å; R356-E358 VanDerWaalsContact O-N 3.1Å; E358-K368 WeakPolarHBondContact O-CA 3.26Å; E358-K368 WeakPolarHBondContact O-CD 3.44Å; E358-V369 PolarHBondContact N-O 3.33Å; E358-V369 PolarHBondContact O-N 3.45Å; E358-M371 HydrophobicContact CB-CB 3.87Å; E358-M371 HydrophobicContact CB-CG 3.85Å; E358-M371 HydrophobicContact CG-CB 4.08Å
359	T	96.7	Very high	94.1	Very high	39 Å²	39	71.3 Å²	71.3	24%	0.239	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.6	-176.1	-52	0	0	0	0	111	V366 K368 Q521	T359-V366 HydrophobicContact CG2-CG1 3.5Å; T359-V366 HydrophobicContact CG2-CG2 4.48Å; T359-K368 PolarHBondContact OG1-NZ 2.89Å; T359-Q521 WeakPolarHBondContact O-CG 3.44Å
360	F	97.6	Very high	94.4	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.1	166.9	-173.5	-80.3	0	0	0	109.2	F362 I367 V369 M371 Q521 Q522 F524 Y543 P545	F360-F362 HydrophobicContact CD1-CB 4.3Å; F360-F362 HydrophobicContact CE1-CB 4.4Å; F360-I367 HydrophobicContact CB-CG1 4.06Å; F360-I367 HydrophobicContact CD1-CD1 4.14Å; F360-I367 HydrophobicContact CD1-CG1 4.19Å; F360-I367 PolarHBondContact N-O 3.32Å; F360-I367 WeakPolarHBondContact O-CG1 3.39Å; F360-I367 PolarHBondContact O-N 3.24Å; F360-V369 HydrophobicContact CB-CG1 4.48Å; F360-V369 HydrophobicContact CB-CG2 3.82Å; F360-V369 HydrophobicContact CG-CG2 4.46Å; F360-M371 HydrophobicContact CB-CE 3.94Å; F360-M371 HydrophobicContact CD2-CE 3.73Å; F360-M371 HydrophobicContact CG-CE 4.34Å; F360-Q521 CarbonylContact C-O 3.55Å; F360-Q521 WeakPolarHBondContact CA-O 3.44Å; F360-Q522 WeakPolarHBondContact CE2-O 3.42Å; F360-Q522 WeakPolarHBondContact CZ-O 3.04Å; F360-F524 HydrophobicContact CE2-CD1 4.4Å; F360-F524 HydrophobicContact CE2-CE1 4.35Å; F360-Y543 VanDerWaalsContact CE1-O 3.29Å; F360-Y543 WeakPolarHBondContact CE1-O 3.31Å; F360-P545 HydrophobicContact CD1-CG 4.22Å; F360-P545 HydrophobicContact CD2-CG 3.75Å; F360-P545 HydrophobicContact CE1-CG 4.07Å; F360-P545 HydrophobicContact CE2-CG 3.56Å; F360-P545 HydrophobicContact CG-CG 4.08Å; F360-P545 HydrophobicContact CZ-CG 3.72Å
361	H	96	Very high	94.7	Very high	56 Å²	56	71.6 Å²	71.6	26%	0.259	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.8	178.4	-64.4	-83.9	0	0	0	109.3	L410 Q521 Q522 P523	H361-L410 HydrophobicContact CB-CD2 3.66Å; H361-Q521 PolarHBondContact CD2-O 2.89Å; H361-Q521 PolarHBondContact N-O 3.16Å; H361-Q522 HydrophobicContact CB-CB 4.3Å; H361-P523 WeakPolarHBondContact O-CD 3.47Å
362	F	91.9	Very high	94.8	Very high	23 Å²	23	68.9 Å²	68.9	10%	0.101	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	122.8	179	170.9	-124.1	0	0	0	108.8	F360 S365 I367 Y543 D544	F360-F362 HydrophobicContact CD1-CB 4.3Å; F360-F362 HydrophobicContact CE1-CB 4.4Å; F362-S365 PolarHBondContact N-O 2.83Å; F362-S365 CarbonylContact O-C 3.55Å; F362-S365 WeakPolarHBondContact O-CA 3.14Å; F362-S365 WeakPolarHBondContact O-CB 3.45Å; F362-S365 PolarHBondContact O-N 3.43Å; F362-S365 VanDerWaalsContact O-O 3.08Å; F362-S365 PolarHBondContact O-OG 2.88Å; F362-I367 HydrophobicContact CB-CD1 4.2Å; F362-I367 HydrophobicContact CB-CG1 4.36Å; F362-Y543 WeakPolarHBondContact CD2-O 3.3Å; F362-D544 HydrophobicContact CE2-CB 4.41Å; F362-D544 HydrophobicContact CZ-CB 4.36Å
363	K	85.7	Confident	95	Very high	121 Å²	121	66.5 Å²	66.5	53%	0.526	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	-139	-168.7	-67.8	163.3	167	169.6	0	110	E202 S365	E202-K363 VanDerWaalsContact CD-CE 3.49Å; E202-K363 WeakPolarHBondContact OE1-CG 3.32Å; E202-K363 WeakPolarHBondContact OE2-CE 3.46Å; E202-K363 IonicContact OE2-NZ 2.93Å; K363-S365 PolarHBondContact O-N 3Å
364	N	85.4	Confident	95	Very high	180 Å²	180	58.8 Å²	58.8	96%	0.963	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	20.3	172.3	-58.9	-29.2	0	0	0	112.8
365	S	91.9	Very high	94.9	Very high	54 Å²	54	61.9 Å²	61.9	38%	0.378	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	170.2	-172.8	79.2	0	0	0	0	112.6	F362 K363	F362-S365 PolarHBondContact N-O 2.83Å; F362-S365 CarbonylContact O-C 3.55Å; F362-S365 WeakPolarHBondContact O-CA 3.14Å; F362-S365 WeakPolarHBondContact O-CB 3.45Å; F362-S365 PolarHBondContact O-N 3.43Å; F362-S365 VanDerWaalsContact O-O 3.08Å; F362-S365 PolarHBondContact O-OG 2.88Å; K363-S365 PolarHBondContact O-N 3Å
366	V	94.9	Very high	94.7	Very high	85 Å²	85	64.9 Å²	64.9	52%	0.515	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.5	177.7	165.7	0	0	0	0	108.5	T359	T359-V366 HydrophobicContact CG2-CG1 3.5Å; T359-V366 HydrophobicContact CG2-CG2 4.48Å
367	I	96.6	Very high	94.7	Very high	19 Å²	19	57.5 Å²	57.5	10%	0.097	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	160.9	174.5	59.4	171.6	0	0	0	110	F360 F362 V369 D544 R546	F360-I367 HydrophobicContact CB-CG1 4.06Å; F360-I367 HydrophobicContact CD1-CD1 4.14Å; F360-I367 HydrophobicContact CD1-CG1 4.19Å; F360-I367 PolarHBondContact N-O 3.32Å; F360-I367 WeakPolarHBondContact O-CG1 3.39Å; F360-I367 PolarHBondContact O-N 3.24Å; F362-I367 HydrophobicContact CB-CD1 4.2Å; F362-I367 HydrophobicContact CB-CG1 4.36Å; I367-V369 HydrophobicContact CD1-CG1 3.85Å; I367-V369 HydrophobicContact CG1-CG1 4.13Å; I367-D544 WeakPolarHBondContact CD1-OD1 3.41Å; I367-R546 HydrophobicContact CD1-CG 4.3Å
368	K	96.8	Very high	94.6	Very high	105 Å²	105	54 Å²	54	46%	0.457	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.9	171.5	-73.3	-62.8	-165	175.6	0	109.5	M357 E358 T359	M357-K368 HydrophobicContact CE-CB 4.04Å; M357-K368 WeakPolarHBondContact CE-O 3.3Å; E358-K368 WeakPolarHBondContact O-CA 3.26Å; E358-K368 WeakPolarHBondContact O-CD 3.44Å; T359-K368 PolarHBondContact OG1-NZ 2.89Å
369	V	97.1	Very high	94.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154	-178.2	-57.7	0	0	0	0	111.5	M357 E358 F360 I367 M371 P446 P545 R546	M357-V369 WeakPolarHBondContact CA-O 3.43Å; E358-V369 PolarHBondContact N-O 3.33Å; E358-V369 PolarHBondContact O-N 3.45Å; F360-V369 HydrophobicContact CB-CG1 4.48Å; F360-V369 HydrophobicContact CB-CG2 3.82Å; F360-V369 HydrophobicContact CG-CG2 4.46Å; I367-V369 HydrophobicContact CD1-CG1 3.85Å; I367-V369 HydrophobicContact CG1-CG1 4.13Å; V369-M371 HydrophobicContact CG2-CE 3.71Å; V369-M371 HydrophobicContact CG2-CG 3.93Å; V369-M371 PolarHBondContact O-N 2.94Å; V369-M371 VanDerWaalsContact O-N 3.17Å; V369-P446 HydrophobicContact CG2-CB 4.28Å; V369-P545 HydrophobicContact CB-CB 4.44Å; V369-P545 HydrophobicContact CG1-CB 4.29Å; V369-P545 HydrophobicContact CG2-CB 4.42Å; V369-P545 HydrophobicContact CG2-CG 4.46Å; V369-R546 HydrophobicContact CG1-CG 3.67Å
370	P	96.9	Very high	94.7	Very high	48 Å²	48	49.3 Å²	49.3	31%	0.312	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	112.4	174.6	-17.7	31	0	0	0	111.1	T355 M357 R447	T355-P370 HydrophobicContact CG2-CB 4.1Å; M357-P370 HydrophobicContact SD-CB 4.36Å; M357-P370 HydrophobicContact SD-CG 3.8Å; P370-R447 PolarHBondContact O-N 3.46Å; P370-R447 VanDerWaalsContact O-N 3.16Å
371	M	97.4	Very high	94.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.7	179.9	-72.1	-108.3	-157.1	0	0	111	T355 R356 E358 F360 V369 N373 V444 L445 P446 V520 Q521	T355-M371 VanDerWaalsContact CA-O 3.29Å; T355-M371 WeakPolarHBondContact CA-O 3.39Å; R356-M371 PolarHBondContact N-O 3.45Å; R356-M371 VanDerWaalsContact N-O 3.13Å; R356-M371 PolarHBondContact O-N 2.95Å; E358-M371 HydrophobicContact CB-CB 3.87Å; E358-M371 HydrophobicContact CB-CG 3.85Å; E358-M371 HydrophobicContact CG-CB 4.08Å; F360-M371 HydrophobicContact CB-CE 3.94Å; F360-M371 HydrophobicContact CD2-CE 3.73Å; F360-M371 HydrophobicContact CG-CE 4.34Å; V369-M371 HydrophobicContact CG2-CE 3.71Å; V369-M371 HydrophobicContact CG2-CG 3.93Å; V369-M371 PolarHBondContact O-N 2.94Å; V369-M371 VanDerWaalsContact O-N 3.17Å; M371-N373 PolarHBondContact O-ND2 3.17Å; M371-V444 HydrophobicContact CB-CG1 3.91Å; M371-V444 HydrophobicContact CG-CG1 4.33Å; M371-V444 HydrophobicContact SD-CG1 3.77Å; M371-L445 CarbonylContact C-O 3.58Å; M371-L445 WeakPolarHBondContact CA-O 3.41Å; M371-P446 HydrophobicContact CE-CB 4.37Å; M371-P446 HydrophobicContact CG-CB 4.49Å; M371-P446 HydrophobicContact SD-CB 4.01Å; M371-P446 VanDerWaalsContact SD-CD 3.56Å; M371-P446 HydrophobicContact SD-CG 4.34Å; M371-V520 WeakPolarHBondContact CE-O 3.41Å; M371-Q521 HydrophobicContact CE-CG 4.04Å
372	M	96.6	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.9	171.6	-52.8	-174.7	-65	0	0	108.6	W346 F350 L445 R447 E498	W346-M372 HydrophobicContact CZ2-CE 4.24Å; F350-M372 HydrophobicContact CB-CB 4.44Å; F350-M372 HydrophobicContact CD1-CB 3.69Å; F350-M372 HydrophobicContact CD2-CE 4.46Å; F350-M372 HydrophobicContact CD2-SD 4.23Å; F350-M372 HydrophobicContact CE1-CB 3.99Å; F350-M372 HydrophobicContact CE2-CE 4.21Å; F350-M372 HydrophobicContact CG-CB 4.02Å; F350-M372 HydrophobicContact CG-SD 4.4Å; F350-M372 HydrophobicContact CZ-CE 4.41Å; M372-L445 WeakPolarHBondContact CB-O 3.41Å; M372-L445 HydrophobicContact CE-CB 4.46Å; M372-L445 HydrophobicContact CE-CD2 3.8Å; M372-L445 HydrophobicContact CE-CG 4.11Å; M372-L445 PolarHBondContact N-O 2.88Å; M372-L445 PolarHBondContact O-N 3.06Å; M372-R447 HydrophobicContact CG-CG 3.95Å; M372-R447 HydrophobicContact SD-CG 4.05Å; M372-E498 HydrophobicContact CG-CG 4.03Å; M372-E498 HydrophobicContact SD-CG 3.95Å
373	N	95.8	Very high	95.1	Very high	30 Å²	30	51.7 Å²	51.7	16%	0.16	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.9	-167.5	-93	-95.2	0	0	0	111.3	K354 M371 L443	K354-N373 HydrophobicContact CB-CB 4.22Å; K354-N373 WeakPolarHBondContact O-CB 3.29Å; M371-N373 PolarHBondContact O-ND2 3.17Å; N373-L443 WeakPolarHBondContact CA-O 3.25Å
374	S	95.1	Very high	95.7	Very high	22 Å²	22	46.9 Å²	46.9	15%	0.154	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	134.3	170.7	174.4	0	0	0	0	111.5	K376 Y377 L442 L443	S374-K376 VanDerWaalsContact C-N 3.32Å; S374-K376 PolarHBondContact O-N 3.36Å; S374-Y377 PolarHBondContact OG-N 2.98Å; S374-L442 WeakPolarHBondContact O-CA 3.49Å; S374-L443 PolarHBondContact N-O 2.96Å; S374-L443 PolarHBondContact O-N 3.19Å
375	K	92.5	Very high	96.2	Very high	160 Å²	160	45 Å²	45	70%	0.696	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	-11.9	-176.5	-63.7	-170.9	176.3	-172.4	0	114.6	T441 L442	K375-T441 CarbonylContact C-O 3.55Å; K375-L442 HydrophobicContact CG-CD1 4.27Å
376	K	93.1	Very high	96.3	Very high	91 Å²	91	46.9 Å²	46.9	40%	0.396	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	33.3	-170.6	-65.1	-173.1	-176.1	177.5	0	111.3	S374 P440 T441 S507 A508	S374-K376 VanDerWaalsContact C-N 3.32Å; S374-K376 PolarHBondContact O-N 3.36Å; K376-P440 HydrophobicContact CB-CB 4.12Å; K376-T441 CarbonylContact C-O 3.59Å; K376-T441 PolarHBondContact N-O 2.99Å; K376-S507 PolarHBondContact NZ-O 3.37Å; K376-A508 PolarHBondContact NZ-O 2.97Å
377	Y	95.8	Very high	96.4	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	138.8	-179.4	-159.6	-87.8	0	0	0	110.1	T348 F350 S374 V379 L394 T441 L443	T348-Y377 HydrophobicContact CG2-CE2 4.27Å; T348-Y377 VanDerWaalsContact O-CE2 3.29Å; T348-Y377 WeakPolarHBondContact O-CE2 3.33Å; T348-Y377 PolarHBondContact O-OH 2.92Å; T348-Y377 VanDerWaalsContact O-OH 3.08Å; F350-Y377 HydrophobicContact CD1-CD2 4.17Å; F350-Y377 HydrophobicContact CD1-CE2 4.11Å; F350-Y377 AromaticContact CD2-CE2 3.93Å; F350-Y377 HydrophobicContact CD2-CE2 3.93Å; F350-Y377 AromaticContact CE1-CD2 3.73Å; F350-Y377 HydrophobicContact CE1-CD2 3.73Å; F350-Y377 AromaticContact CE1-CE2 3.73Å; F350-Y377 HydrophobicContact CE1-CE2 3.73Å; F350-Y377 HydrophobicContact CE1-CG 4.46Å; F350-Y377 HydrophobicContact CE2-CD2 4.35Å; F350-Y377 AromaticContact CE2-CE2 3.5Å; F350-Y377 HydrophobicContact CE2-CE2 3.5Å; F350-Y377 VanDerWaalsContact CE2-CE2 3.5Å; F350-Y377 AromaticContact CE2-CZ 3.72Å; F350-Y377 HydrophobicContact CG-CE2 4.21Å; F350-Y377 AromaticContact CZ-CD2 3.84Å; F350-Y377 HydrophobicContact CZ-CD2 3.84Å; F350-Y377 HydrophobicContact CZ-CE1 4.37Å; F350-Y377 AromaticContact CZ-CE2 3.4Å; F350-Y377 HydrophobicContact CZ-CE2 3.4Å; F350-Y377 HydrophobicContact CZ-CG 4.49Å; F350-Y377 AromaticContact CZ-CZ 3.7Å; S374-Y377 PolarHBondContact OG-N 2.98Å; Y377-V379 HydrophobicContact CD1-CG2 3.84Å; Y377-V379 PolarHBondContact O-N 3.47Å; Y377-V379 VanDerWaalsContact O-N 3.14Å; Y377-L394 HydrophobicContact CD1-CD2 4.46Å; Y377-L394 HydrophobicContact CE1-CB 4.32Å; Y377-L394 HydrophobicContact CE1-CD2 3.92Å; Y377-L394 HydrophobicContact CE1-CG 4.2Å; Y377-T441 PolarHBondContact N-O 3.07Å; Y377-T441 PolarHBondContact O-N 3.03Å; Y377-L443 HydrophobicContact CD1-CD2 3.44Å; Y377-L443 VanDerWaalsContact CD1-CD2 3.44Å; Y377-L443 HydrophobicContact CD2-CD2 4.05Å; Y377-L443 HydrophobicContact CE1-CD2 3.98Å; Y377-L443 HydrophobicContact CG-CB 4.39Å; Y377-L443 HydrophobicContact CG-CD2 3.47Å; Y377-L443 VanDerWaalsContact CG-CD2 3.47Å
378	P	96.4	Very high	96.4	Very high	40 Å²	40	47.4 Å²	47.4	26%	0.26	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	107.3	174.7	28.1	-33.4	0	0	0	110.4	F438 Q439	P378-F438 HydrophobicContact CB-CB 4.25Å; P378-Q439 WeakPolarHBondContact CA-O 3.27Å
379	V	97.9	Very high	96.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.4	176	-171.1	0	0	0	0	109.1	Y377 H381 Q439 T441 L443 F518	Y377-V379 HydrophobicContact CD1-CG2 3.84Å; Y377-V379 PolarHBondContact O-N 3.47Å; Y377-V379 VanDerWaalsContact O-N 3.14Å; V379-H381 HydrophobicContact CG1-CB 4Å; V379-Q439 PolarHBondContact N-O 3.02Å; V379-Q439 PolarHBondContact O-N 3.47Å; V379-T441 HydrophobicContact CB-CG2 4.32Å; V379-T441 HydrophobicContact CG2-CG2 4.24Å; V379-L443 HydrophobicContact CG2-CB 4.38Å; V379-L443 HydrophobicContact CG2-CD1 4.4Å; V379-L443 HydrophobicContact CG2-CD2 4.12Å; V379-F518 HydrophobicContact CG1-CG 4.46Å
380	A	98.2	Very high	96.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	116	164.5	0	0	0	0	0	107.5	G392 Q393 F438	A380-G392 CarbonylContact O-C 3.59Å; A380-G392 WeakPolarHBondContact O-CA 3.14Å; A380-Q393 HydrophobicContact CB-CB 4.4Å; A380-Q393 PolarHBondContact N-O 3.31Å; A380-Q393 VanDerWaalsContact N-O 3.13Å; A380-Q393 PolarHBondContact O-N 3.16Å; A380-F438 HydrophobicContact CB-CD1 3.93Å; A380-F438 HydrophobicContact CB-CD2 4.24Å; A380-F438 HydrophobicContact CB-CE1 4.06Å; A380-F438 HydrophobicContact CB-CE2 4.36Å; A380-F438 HydrophobicContact CB-CG 4.02Å; A380-F438 HydrophobicContact CB-CZ 4.28Å
381	H	97.9	Very high	96.6	Very high	44 Å²	44	42 Å²	42	20%	0.204	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	155.6	-174.3	68.8	97.5	0	0	0	114	V379 V391 T441 F518	V379-H381 HydrophobicContact CG1-CB 4Å; H381-V391 CarbonylContact C-O 3.6Å; H381-V391 WeakPolarHBondContact CA-O 3.31Å; H381-V391 WeakPolarHBondContact CB-O 3.23Å; H381-T441 PolarHBondContact NE2-OG1 3.04Å; H381-F518 HydrophobicContact CB-CD2 3.82Å; H381-F518 HydrophobicContact CB-CE2 4.19Å
382	F	98	Very high	96.6	Very high	25 Å²	25	42 Å²	42	11%	0.11	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	171.7	173.8	56.2	-102.7	0	0	0	111.6	D384 V391 I429 K432 L433	F382-D384 HydrophobicContact CE2-CB 4.25Å; F382-V391 HydrophobicContact CD2-CB 4.17Å; F382-V391 HydrophobicContact CD2-CG2 4.29Å; F382-V391 HydrophobicContact CE2-CB 3.84Å; F382-V391 HydrophobicContact CE2-CG1 4.45Å; F382-V391 HydrophobicContact CE2-CG2 3.78Å; F382-V391 HydrophobicContact CZ-CB 4.09Å; F382-V391 HydrophobicContact CZ-CG1 4.24Å; F382-V391 HydrophobicContact CZ-CG2 4.36Å; F382-V391 PolarHBondContact N-O 3.16Å; F382-V391 PolarHBondContact O-N 3.11Å; F382-I429 HydrophobicContact CZ-CG2 4.16Å; F382-K432 HydrophobicContact CD1-CD 4.1Å; F382-K432 HydrophobicContact CD1-CG 3.97Å; F382-K432 HydrophobicContact CD2-CD 4Å; F382-K432 VanDerWaalsContact CD2-CE 3.47Å; F382-K432 HydrophobicContact CE1-CB 3.87Å; F382-K432 HydrophobicContact CE1-CD 3.8Å; F382-K432 HydrophobicContact CE1-CG 3.53Å; F382-K432 HydrophobicContact CE2-CD 3.68Å; F382-K432 HydrophobicContact CE2-CG 4.34Å; F382-K432 HydrophobicContact CG-CD 4.19Å; F382-K432 HydrophobicContact CZ-CB 3.85Å; F382-K432 HydrophobicContact CZ-CD 3.58Å; F382-K432 HydrophobicContact CZ-CG 3.74Å; F382-L433 HydrophobicContact CD1-CD2 4.2Å; F382-L433 HydrophobicContact CE1-CD2 3.59Å; F382-L433 HydrophobicContact CE1-CG 3.72Å; F382-L433 HydrophobicContact CZ-CD2 4.31Å; F382-L433 HydrophobicContact CZ-CG 4.12Å
383	I	97.6	Very high	96.7	Very high	60 Å²	60	42.5 Å²	42.5	31%	0.308	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.7	164.9	-53.2	-56.2	0	0	0	108.8	A389 K390 Q408 K432	I383-A389 WeakPolarHBondContact CA-O 3.34Å; I383-K390 HydrophobicContact CD1-CB 4.29Å; I383-K390 HydrophobicContact CD1-CG 3.5Å; I383-Q408 HydrophobicContact CD1-CG 4.42Å; I383-K432 PolarHBondContact O-NZ 3.37Å
384	D	97.6	Very high	96.8	Very high	20 Å²	20	41 Å²	41	11%	0.107	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.4	165.1	-168.4	-94	0	0	0	110.2	F382 T386 L387 K388 A389 V391	F382-D384 HydrophobicContact CE2-CB 4.25Å; D384-T386 WeakPolarHBondContact OD1-CA 3.37Å; D384-T386 VanDerWaalsContact OD1-CB 3.31Å; D384-T386 WeakPolarHBondContact OD1-CB 3.23Å; D384-T386 PolarHBondContact OD1-N 3.36Å; D384-L387 HydrophobicContact CB-CB 4.45Å; D384-L387 PolarHBondContact OD1-N 2.63Å; D384-K388 VanDerWaalsContact O-CA 3.28Å; D384-K388 WeakPolarHBondContact O-CA 3.39Å; D384-K388 PolarHBondContact O-N 3.31Å; D384-K388 VanDerWaalsContact O-N 3.07Å; D384-A389 PolarHBondContact N-O 2.84Å; D384-A389 PolarHBondContact O-N 3.5Å; D384-A389 VanDerWaalsContact O-N 3.14Å; D384-V391 HydrophobicContact CB-CG2 4.06Å
385	Q	95.4	Very high	96.9	Very high	139 Å²	139	41.5 Å²	41.5	65%	0.65	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-26.1	-175.1	-61.4	-61.3	-34.5	0	0	112.6
386	T	94.9	Very high	96.9	Very high	94 Å²	94	34 Å²	34	58%	0.577	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-49.5	178.3	-52.3	0	0	0	0	109.7	D384 V425	D384-T386 WeakPolarHBondContact OD1-CA 3.37Å; D384-T386 VanDerWaalsContact OD1-CB 3.31Å; D384-T386 WeakPolarHBondContact OD1-CB 3.23Å; D384-T386 PolarHBondContact OD1-N 3.36Å; T386-V425 HydrophobicContact CG2-CG2 4.06Å
387	L	96.4	Very high	96.8	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.042	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.3	178.2	-59.3	-175.7	0	0	0	113.8	D384 A389 L405 I417 A420 L421 V425 I429	D384-L387 HydrophobicContact CB-CB 4.45Å; D384-L387 PolarHBondContact OD1-N 2.63Å; L387-A389 HydrophobicContact CB-CB 3.78Å; L387-A389 PolarHBondContact O-N 3.32Å; L387-L405 HydrophobicContact CD1-CD2 3.69Å; L387-I417 HydrophobicContact CD1-CG2 4.15Å; L387-I417 HydrophobicContact CD2-CG2 4.46Å; L387-A420 HydrophobicContact CD2-CB 3.51Å; L387-A420 WeakPolarHBondContact CD2-O 3.29Å; L387-L421 HydrophobicContact CD1-CD1 3.84Å; L387-V425 HydrophobicContact CD1-CG1 4.07Å; L387-V425 HydrophobicContact CD2-CG1 3.86Å; L387-V425 HydrophobicContact CG-CG1 3.87Å; L387-I429 HydrophobicContact CD1-CD1 3.28Å; L387-I429 HydrophobicContact CG-CD1 4.15Å
388	K	96.7	Very high	96.4	Very high	108 Å²	108	34 Å²	34	47%	0.47	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	45.3	-170.6	-57.1	173.9	-172.5	166.2	0	111.3	D384 Q408	D384-K388 VanDerWaalsContact O-CA 3.28Å; D384-K388 WeakPolarHBondContact O-CA 3.39Å; D384-K388 PolarHBondContact O-N 3.31Å; D384-K388 VanDerWaalsContact O-N 3.07Å; K388-Q408 WeakPolarHBondContact O-CB 3.11Å; K388-Q408 PolarHBondContact O-N 3.41Å
389	A	97.8	Very high	96.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144	-168.6	0	0	0	0	0	111.8	I383 D384 L387 V406 I417	I383-A389 WeakPolarHBondContact CA-O 3.34Å; D384-A389 PolarHBondContact N-O 2.84Å; D384-A389 PolarHBondContact O-N 3.5Å; D384-A389 VanDerWaalsContact O-N 3.14Å; L387-A389 HydrophobicContact CB-CB 3.78Å; L387-A389 PolarHBondContact O-N 3.32Å; A389-V406 CarbonylContact C-O 3.45Å; A389-V406 WeakPolarHBondContact CA-O 3.48Å; A389-I417 HydrophobicContact CB-CD1 3.67Å; A389-I417 HydrophobicContact CB-CG1 4.32Å
390	K	98.3	Very high	96.1	Very high	39 Å²	39	36.1 Å²	36.1	17%	0.17	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119.2	159.1	-75.1	173.2	-79.4	167.7	0	107.1	I383 V406 F518 E519	I383-K390 HydrophobicContact CD1-CB 4.29Å; I383-K390 HydrophobicContact CD1-CG 3.5Å; K390-V406 HydrophobicContact CB-CG1 3.74Å; K390-V406 HydrophobicContact CD-CG1 4.39Å; K390-V406 PolarHBondContact N-O 2.93Å; K390-V406 PolarHBondContact O-N 3.49Å; K390-F518 HydrophobicContact CB-CD2 4.48Å; K390-F518 HydrophobicContact CB-CE2 3.87Å; K390-E519 PolarHBondContact NZ-O 2.9Å
391	V	98.7	Very high	96	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.3	171	-170.4	0	0	0	0	108.1	H381 F382 D384 V403 I404 L405 I429 L433	H381-V391 CarbonylContact C-O 3.6Å; H381-V391 WeakPolarHBondContact CA-O 3.31Å; H381-V391 WeakPolarHBondContact CB-O 3.23Å; F382-V391 HydrophobicContact CD2-CB 4.17Å; F382-V391 HydrophobicContact CD2-CG2 4.29Å; F382-V391 HydrophobicContact CE2-CB 3.84Å; F382-V391 HydrophobicContact CE2-CG1 4.45Å; F382-V391 HydrophobicContact CE2-CG2 3.78Å; F382-V391 HydrophobicContact CZ-CB 4.09Å; F382-V391 HydrophobicContact CZ-CG1 4.24Å; F382-V391 HydrophobicContact CZ-CG2 4.36Å; F382-V391 PolarHBondContact N-O 3.16Å; F382-V391 PolarHBondContact O-N 3.11Å; D384-V391 HydrophobicContact CB-CG2 4.06Å; V391-V403 HydrophobicContact CG1-CG1 4.01Å; V391-I404 WeakPolarHBondContact CA-O 3.49Å; V391-L405 HydrophobicContact CG1-CD1 4.45Å; V391-L405 HydrophobicContact CG1-CG 4.37Å; V391-L405 HydrophobicContact CG2-CG 4.31Å; V391-I429 HydrophobicContact CG1-CG2 3.81Å; V391-I429 HydrophobicContact CG2-CG2 4.32Å; V391-L433 HydrophobicContact CG1-CD1 3.88Å; V391-L433 HydrophobicContact CG1-CD2 4.12Å; V391-L433 HydrophobicContact CG1-CG 4.24Å
392	G	98.5	Very high	96	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141	178.1	0	0	0	0	0	112.1	A380 V403 I404 F518	A380-G392 CarbonylContact O-C 3.59Å; A380-G392 WeakPolarHBondContact O-CA 3.14Å; G392-V403 CarbonylContact O-C 3.47Å; G392-V403 WeakPolarHBondContact O-CA 3.47Å; G392-I404 PolarHBondContact N-O 2.92Å; G392-I404 PolarHBondContact O-N 2.85Å; G392-F518 VanDerWaalsContact CA-CE2 3.48Å
393	Q	98.6	Very high	96	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.047	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.5	179.4	-178.8	-178.1	25.8	0	0	110	A380 S401 L402 V403 L433 F438	A380-Q393 HydrophobicContact CB-CB 4.4Å; A380-Q393 PolarHBondContact N-O 3.31Å; A380-Q393 VanDerWaalsContact N-O 3.13Å; A380-Q393 PolarHBondContact O-N 3.16Å; Q393-S401 PolarHBondContact NE2-OG 3.13Å; Q393-L402 WeakPolarHBondContact CA-O 3.23Å; Q393-V403 HydrophobicContact CB-CG2 4.29Å; Q393-V403 HydrophobicContact CG-CG2 4.06Å; Q393-L433 HydrophobicContact CB-CD1 4.44Å; Q393-L433 HydrophobicContact CB-CD2 3.91Å; Q393-F438 HydrophobicContact CG-CE1 4.35Å; Q393-F438 HydrophobicContact CG-CZ 4.12Å; Q393-F438 WeakPolarHBondContact O-CE1 3.37Å
394	L	97.7	Very high	96.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.9	179.7	-64.6	82.3	0	0	0	108.5	W346 F350 Y377 S401 L402 I404 L443 L445	W346-L394 HydrophobicContact CE3-CB 4.26Å; W346-L394 HydrophobicContact CH2-CD2 4.05Å; W346-L394 HydrophobicContact CZ3-CB 3.63Å; W346-L394 HydrophobicContact CZ3-CD2 3.83Å; W346-L394 HydrophobicContact CZ3-CG 4.38Å; F350-L394 HydrophobicContact CZ-CD2 4.38Å; Y377-L394 HydrophobicContact CD1-CD2 4.46Å; Y377-L394 HydrophobicContact CE1-CB 4.32Å; Y377-L394 HydrophobicContact CE1-CD2 3.92Å; Y377-L394 HydrophobicContact CE1-CG 4.2Å; L394-S401 CarbonylContact O-C 3.51Å; L394-S401 WeakPolarHBondContact O-CA 3.45Å; L394-S401 WeakPolarHBondContact O-CB 3.01Å; L394-L402 PolarHBondContact N-O 2.94Å; L394-L402 PolarHBondContact O-N 3.08Å; L394-I404 HydrophobicContact CD1-CD1 3.98Å; L394-I404 HydrophobicContact CD1-CG1 4.44Å; L394-L443 HydrophobicContact CD2-CD2 3.55Å; L394-L443 HydrophobicContact CG-CD2 4.44Å; L394-L445 HydrophobicContact CD2-CD2 3.86Å
395	Q	96.2	Very high	96.1	Very high	31 Å²	31	29.2 Å²	29.2	15%	0.145	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	134.8	-176.2	-169	64.2	46.7	0	0	112	K347 L400 F438	K347-Q395 HydrophobicContact CB-CB 3.94Å; K347-Q395 HydrophobicContact CB-CG 3.79Å; K347-Q395 HydrophobicContact CD-CB 4.39Å; K347-Q395 HydrophobicContact CD-CG 3.7Å; K347-Q395 HydrophobicContact CG-CG 4.36Å; K347-Q395 PolarHBondContact N-O 2.73Å; Q395-L400 PolarHBondContact NE2-O 3.25Å; Q395-F438 HydrophobicContact CB-CE1 4.15Å; Q395-F438 HydrophobicContact CB-CZ 4.23Å
396	L	92.9	Very high	96.3	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-111.9	172.7	165.5	-75	85.6	0	0	0	110.4	A344 K345 W346 L400 L402 L496 L528	A344-L396 HydrophobicContact CB-CB 4.48Å; A344-L396 HydrophobicContact CB-CD2 3.99Å; K345-L396 CarbonylContact O-C 3.53Å; K345-L396 WeakPolarHBondContact O-CA 3.48Å; K345-L396 VanDerWaalsContact O-CB 3.23Å; K345-L396 WeakPolarHBondContact O-CB 3.19Å; K345-L396 WeakPolarHBondContact O-CG 3.38Å; W346-L396 HydrophobicContact CE3-CD1 3.75Å; W346-L396 HydrophobicContact CE3-CG 3.98Å; W346-L396 HydrophobicContact CZ3-CD1 3.65Å; W346-L396 HydrophobicContact CZ3-CG 4.33Å; L396-L400 CarbonylContact C-O 3.52Å; L396-L400 WeakPolarHBondContact CA-O 3.09Å; L396-L400 HydrophobicContact CB-CB 4.23Å; L396-L400 WeakPolarHBondContact CB-O 3.44Å; L396-L400 PolarHBondContact N-O 3.31Å; L396-L402 HydrophobicContact CD1-CB 3.95Å; L396-L402 VanDerWaalsContact CD1-N 3.25Å; L396-L496 HydrophobicContact CD2-CD2 4.06Å; L396-L528 HydrophobicContact CD1-CD1 4.31Å; L396-L528 HydrophobicContact CD2-CD1 4.04Å
397	S	90.4	Very high	96.4	Very high	24 Å²	24	18.1 Å²	18.1	17%	0.168	9%	0.088	C	C	.	.	S	Bend	trans	-67.3	172.8	166.2	55.5	0	0	0	0	112.4	A344 K345 N399 L400	A344-S397 WeakPolarHBondContact CA-OG 3.31Å; K345-S397 PolarHBondContact N-OG 3.07Å; K345-S397 VanDerWaalsContact N-OG 3.07Å; K345-S397 PolarHBondContact O-N 3.29Å; K345-S397 PolarHBondContact O-OG 3.13Å; S397-N399 VanDerWaalsContact C-N 3.33Å; S397-N399 PolarHBondContact O-N 3.41Å; S397-L400 PolarHBondContact O-N 2.86Å
398	H	89.3	Confident	96.2	Very high	70 Å²	70	21.7 Å²	21.7	32%	0.324	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	37	178	-54.3	-78.5	0	0	0	115.1	P342 L400	P342-H398 PolarHBondContact O-NE2 2.89Å; P342-H398 VanDerWaalsContact O-NE2 3.15Å; H398-L400 PolarHBondContact O-N 2.99Å; H398-L400 VanDerWaalsContact O-N 3.13Å
399	N	91.8	Very high	95.9	Very high	84 Å²	84	19.1 Å²	19.1	45%	0.449	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	20.6	-177.9	-57.9	-18.8	0	0	0	114	S397 Q531 Q532	S397-N399 VanDerWaalsContact C-N 3.33Å; S397-N399 PolarHBondContact O-N 3.41Å; N399-Q531 VanDerWaalsContact O-CB 3.24Å; N399-Q531 WeakPolarHBondContact O-CB 3.47Å; N399-Q531 VanDerWaalsContact O-CG 3.29Å; N399-Q531 WeakPolarHBondContact O-CG 3.4Å; N399-Q531 PolarHBondContact O-N 3.16Å; N399-Q532 HydrophobicContact CB-CB 4.44Å; N399-Q532 PolarHBondContact ND2-OE1 3.13Å
400	L	94.6	Very high	95.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	156.3	176.8	-55.3	-169.4	0	0	0	111.7	T253 V256 A344 Q395 L396 S397 H398 L528 W529 D530 V537	T253-L400 HydrophobicContact CG2-CD1 4.34Å; T253-L400 HydrophobicContact CG2-CD2 4.34Å; V256-L400 HydrophobicContact CG1-CD1 4.26Å; A344-L400 HydrophobicContact CB-CD1 3.84Å; Q395-L400 PolarHBondContact NE2-O 3.25Å; L396-L400 CarbonylContact C-O 3.52Å; L396-L400 WeakPolarHBondContact CA-O 3.09Å; L396-L400 HydrophobicContact CB-CB 4.23Å; L396-L400 WeakPolarHBondContact CB-O 3.44Å; L396-L400 PolarHBondContact N-O 3.31Å; S397-L400 PolarHBondContact O-N 2.86Å; H398-L400 PolarHBondContact O-N 2.99Å; H398-L400 VanDerWaalsContact O-N 3.13Å; L400-L528 HydrophobicContact CB-CD1 4.23Å; L400-L528 HydrophobicContact CB-CG 4.45Å; L400-L528 HydrophobicContact CD1-CD1 4.47Å; L400-L528 HydrophobicContact CD1-CD2 3.75Å; L400-L528 HydrophobicContact CD1-CG 4.14Å; L400-W529 CarbonylContact C-O 3.55Å; L400-W529 VanDerWaalsContact CA-O 3.3Å; L400-W529 WeakPolarHBondContact CA-O 3.05Å; L400-D530 HydrophobicContact CD2-CB 3.97Å; L400-V537 HydrophobicContact CD2-CG2 4.05Å
401	S	96.8	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.9	167.1	42.9	0	0	0	0	111.8	Q393 L394 W529 Q531	Q393-S401 PolarHBondContact NE2-OG 3.13Å; L394-S401 CarbonylContact O-C 3.51Å; L394-S401 WeakPolarHBondContact O-CA 3.45Å; L394-S401 WeakPolarHBondContact O-CB 3.01Å; S401-W529 PolarHBondContact N-O 3.23Å; S401-W529 PolarHBondContact O-N 2.8Å; S401-Q531 PolarHBondContact OG-NE2 3.48Å
402	L	97.9	Very high	94.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.8	166.2	-170.1	76.1	0	0	0	108	W346 Q393 L394 L396 I404 I448 L496 F526 L527	W346-L402 HydrophobicContact CH2-CB 4.14Å; W346-L402 HydrophobicContact CH2-CD2 3.69Å; W346-L402 HydrophobicContact CZ3-CB 4.02Å; W346-L402 HydrophobicContact CZ3-CD2 4.39Å; Q393-L402 WeakPolarHBondContact CA-O 3.23Å; L394-L402 PolarHBondContact N-O 2.94Å; L394-L402 PolarHBondContact O-N 3.08Å; L396-L402 HydrophobicContact CD1-CB 3.95Å; L396-L402 VanDerWaalsContact CD1-N 3.25Å; L402-I404 HydrophobicContact CD2-CD1 3.81Å; L402-I404 HydrophobicContact CD2-CG1 3.88Å; L402-I404 HydrophobicContact CG-CG1 4.09Å; L402-I448 HydrophobicContact CD2-CD1 3.74Å; L402-L496 HydrophobicContact CD1-CD1 4.11Å; L402-L496 HydrophobicContact CD2-CD1 4Å; L402-F526 HydrophobicContact CD1-CB 4.13Å; L402-F526 HydrophobicContact CD1-CD2 4.02Å; L402-F526 HydrophobicContact CD1-CG 4.41Å; L402-L527 WeakPolarHBondContact CA-O 3.36Å
403	V	98.7	Very high	94.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.2	167.7	-174.2	0	0	0	0	108.2	V391 G392 Q393 L405 M430 L433 F526 L527 W529	V391-V403 HydrophobicContact CG1-CG1 4.01Å; G392-V403 CarbonylContact O-C 3.47Å; G392-V403 WeakPolarHBondContact O-CA 3.47Å; Q393-V403 HydrophobicContact CB-CG2 4.29Å; Q393-V403 HydrophobicContact CG-CG2 4.06Å; V403-L405 HydrophobicContact CG1-CD1 3.94Å; V403-M430 HydrophobicContact CG2-CE 4.02Å; V403-M430 HydrophobicContact CG2-SD 4.4Å; V403-L433 HydrophobicContact CB-CD1 4.37Å; V403-L433 HydrophobicContact CG1-CD1 3.43Å; V403-L433 VanDerWaalsContact CG1-CD1 3.43Å; V403-L433 HydrophobicContact CG2-CD1 3.95Å; V403-F526 CarbonylContact O-C 3.56Å; V403-F526 VanDerWaalsContact O-CA 3.25Å; V403-F526 WeakPolarHBondContact O-CA 2.97Å; V403-L527 HydrophobicContact CB-CD2 3.82Å; V403-L527 HydrophobicContact CB-CG 3.9Å; V403-L527 HydrophobicContact CG1-CD2 4.17Å; V403-L527 HydrophobicContact CG2-CG 4.43Å; V403-L527 PolarHBondContact N-O 2.74Å; V403-L527 PolarHBondContact O-N 3.16Å; V403-W529 HydrophobicContact CG2-CB 4.23Å
404	I	98.7	Very high	94.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.7	-177.9	-59.4	177.3	0	0	0	108.7	V391 G392 L394 L402 V406 L445 F518 V520 F524	V391-I404 WeakPolarHBondContact CA-O 3.49Å; G392-I404 PolarHBondContact N-O 2.92Å; G392-I404 PolarHBondContact O-N 2.85Å; L394-I404 HydrophobicContact CD1-CD1 3.98Å; L394-I404 HydrophobicContact CD1-CG1 4.44Å; L402-I404 HydrophobicContact CD2-CD1 3.81Å; L402-I404 HydrophobicContact CD2-CG1 3.88Å; L402-I404 HydrophobicContact CG-CG1 4.09Å; I404-V406 HydrophobicContact CG2-CB 4.44Å; I404-L445 HydrophobicContact CD1-CD1 3.27Å; I404-L445 HydrophobicContact CD1-CD2 4.45Å; I404-F518 HydrophobicContact CB-CE1 4.32Å; I404-F518 HydrophobicContact CB-CZ 4.26Å; I404-F518 HydrophobicContact CG2-CE1 4.34Å; I404-F518 HydrophobicContact CG2-CZ 4.31Å; I404-V520 HydrophobicContact CD1-CG2 4.26Å; I404-V520 HydrophobicContact CG2-CG1 4.27Å; I404-V520 HydrophobicContact CG2-CG2 4.13Å; I404-F524 HydrophobicContact CG2-CB 4.1Å; I404-F524 HydrophobicContact CG2-CD2 3.83Å; I404-F524 HydrophobicContact CG2-CG 4.19Å
405	L	98.6	Very high	94	Very high	3 Å²	3	41 Å²	41	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	109.3	171.8	-71.3	79.4	0	0	0	107.3	L387 V391 V403 I417 L421 I429 F524 L525 L527	L387-L405 HydrophobicContact CD1-CD2 3.69Å; V391-L405 HydrophobicContact CG1-CD1 4.45Å; V391-L405 HydrophobicContact CG1-CG 4.37Å; V391-L405 HydrophobicContact CG2-CG 4.31Å; V403-L405 HydrophobicContact CG1-CD1 3.94Å; L405-I417 HydrophobicContact CD2-CG2 4.43Å; L405-L421 HydrophobicContact CD2-CD1 4.09Å; L405-I429 HydrophobicContact CD2-CD1 4.42Å; L405-F524 WeakPolarHBondContact O-CA 3.36Å; L405-L525 HydrophobicContact CB-CB 4.34Å; L405-L525 HydrophobicContact CD1-CD2 4.18Å; L405-L525 PolarHBondContact N-O 2.88Å; L405-L525 PolarHBondContact O-N 2.94Å; L405-L527 HydrophobicContact CD1-CD2 4.01Å
406	V	98.3	Very high	93.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.7	179	63.1	0	0	0	0	109	A389 K390 I404 F518 Q522 F524	A389-V406 CarbonylContact C-O 3.45Å; A389-V406 WeakPolarHBondContact CA-O 3.48Å; K390-V406 HydrophobicContact CB-CG1 3.74Å; K390-V406 HydrophobicContact CD-CG1 4.39Å; K390-V406 PolarHBondContact N-O 2.93Å; K390-V406 PolarHBondContact O-N 3.49Å; I404-V406 HydrophobicContact CG2-CB 4.44Å; V406-F518 HydrophobicContact CG1-CZ 4.29Å; V406-Q522 HydrophobicContact CG2-CG 3.44Å; V406-Q522 VanDerWaalsContact CG2-CG 3.44Å; V406-F524 HydrophobicContact CB-CB 3.87Å; V406-F524 HydrophobicContact CG2-CB 4.08Å
407	P	97.3	Very high	94.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	144.6	-179	-16.3	24.6	0	0	0	111.6	N409 H412 I417 P523	P407-N409 PolarHBondContact O-N 2.75Å; P407-H412 HydrophobicContact CB-CB 3.79Å; P407-H412 WeakPolarHBondContact CB-O 3.46Å; P407-I417 HydrophobicContact CB-CD1 4.03Å; P407-I417 HydrophobicContact CG-CD1 3.62Å; P407-I417 HydrophobicContact CG-CG1 4.42Å; P407-P523 WeakPolarHBondContact CD-O 3.41Å
408	Q	93.4	Very high	94.3	Very high	82 Å²	82	41.5 Å²	41.5	38%	0.383	19%	0.194	S	C	.	.	S	Bend	trans	-63.7	-28.9	-170.9	-177.9	-179.6	2.3	0	0	112.3	I383 K388	I383-Q408 HydrophobicContact CD1-CG 4.42Å; K388-Q408 WeakPolarHBondContact O-CB 3.11Å; K388-Q408 PolarHBondContact O-N 3.41Å
409	N	89.9	Confident	94.5	Very high	54 Å²	54	45.7 Å²	45.7	29%	0.289	21%	0.214	S	C	.	.	S	Bend	trans	-151.7	168.7	178.4	65.6	75.1	0	0	0	110.3	P407 K411 H412 Q522	P407-N409 PolarHBondContact O-N 2.75Å; N409-K411 PolarHBondContact O-N 2.94Å; N409-K411 WeakPolarHBondContact OD1-CA 3.34Å; N409-K411 WeakPolarHBondContact OD1-CB 3.44Å; N409-K411 WeakPolarHBondContact OD1-CG 3.39Å; N409-K411 PolarHBondContact OD1-N 2.95Å; N409-H412 PolarHBondContact ND2-CD2 2.82Å; N409-H412 PolarHBondContact ND2-NE2 3.16Å; N409-H412 PolarHBondContact O-N 3.47Å; N409-Q522 PolarHBondContact O-NE2 2.89Å
410	L	89.9	Confident	94.7	Very high	101 Å²	101	43.4 Å²	43.4	53%	0.529	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.7	-176.9	-61.1	172.7	0	0	0	115.2	H361 Q522	H361-L410 HydrophobicContact CB-CD2 3.66Å; L410-Q522 HydrophobicContact CD2-CB 3.86Å; L410-Q522 HydrophobicContact CD2-CG 4.43Å
411	K	87.5	Confident	94.7	Very high	187 Å²	187	43.6 Å²	43.6	81%	0.813	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.6	174.4	-49.7	-178.4	-176.8	-176	0	112.7	N409	N409-K411 PolarHBondContact O-N 2.94Å; N409-K411 WeakPolarHBondContact OD1-CA 3.34Å; N409-K411 WeakPolarHBondContact OD1-CB 3.44Å; N409-K411 WeakPolarHBondContact OD1-CG 3.39Å; N409-K411 PolarHBondContact OD1-N 2.95Å
412	H	90.6	Very high	94.7	Very high	48 Å²	48	45.5 Å²	45.5	22%	0.222	22%	0.221	C	C	.	.	S	Bend	trans	-104.2	129	175.3	-59.6	-43	0	0	0	108.5	P407 N409	P407-H412 HydrophobicContact CB-CB 3.79Å; P407-H412 WeakPolarHBondContact CB-O 3.46Å; N409-H412 PolarHBondContact ND2-CD2 2.82Å; N409-H412 PolarHBondContact ND2-NE2 3.16Å; N409-H412 PolarHBondContact O-N 3.47Å
413	R	92.3	Very high	94.5	Very high	135 Å²	135	48.2 Å²	48.2	51%	0.509	24%	0.238	S	C	.	.			trans	-89.9	167.9	179.1	-49.2	178.7	-63.5	144.4	8	109.7	E415 D416	R413-E415 WeakPolarHBondContact CB-OE2 3.18Å; R413-E415 IonicContact NH1-OE1 3.05Å; R413-D416 IonicContact CZ-OD1 3.09Å; R413-D416 PolarHBondContact N-OD2 3.15Å; R413-D416 IonicContact NE-OD1 2.72Å; R413-D416 PolarHBondContact NE-OD1 3.3Å; R413-D416 IonicContact NE-OD2 3.58Å; R413-D416 IonicContact NH2-OD1 2.88Å; R413-D416 PolarHBondContact NH2-OD1 3.04Å; R413-D416 PolarHBondContact O-N 3.2Å
414	L	95.7	Very high	94.4	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-71.3	-36.3	179.3	-176.9	61.4	0	0	0	110.9	D416 I417 E418 P523 L525 R541 Y543	L414-D416 PolarHBondContact O-N 3.48Å; L414-I417 HydrophobicContact CD1-CB 4.43Å; L414-I417 HydrophobicContact CD1-CD1 4.27Å; L414-I417 WeakPolarHBondContact O-CA 2.89Å; L414-I417 WeakPolarHBondContact O-CB 3.47Å; L414-I417 PolarHBondContact O-N 2.96Å; L414-E418 HydrophobicContact CG-CG 4.33Å; L414-E418 WeakPolarHBondContact O-CG 3.1Å; L414-E418 PolarHBondContact O-N 2.84Å; L414-P523 HydrophobicContact CB-CB 4.11Å; L414-P523 HydrophobicContact CD2-CB 4.09Å; L414-L525 HydrophobicContact CD1-CB 4.1Å; L414-R541 HydrophobicContact CD2-CB 3.91Å; L414-Y543 HydrophobicContact CB-CE1 4.2Å; L414-Y543 HydrophobicContact CD2-CD2 4.45Å; L414-Y543 HydrophobicContact CD2-CE1 4.43Å; L414-Y543 HydrophobicContact CD2-CE2 3.9Å
415	E	93.9	Very high	94.3	Very high	36 Å²	36	53.6 Å²	53.6	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-32.2	176.9	-56.7	93.9	140.6	0	0	112.5	R413 I417 E418 Q419 Y543	R413-E415 WeakPolarHBondContact CB-OE2 3.18Å; R413-E415 IonicContact NH1-OE1 3.05Å; E415-I417 VanDerWaalsContact C-N 3.3Å; E415-I417 PolarHBondContact O-N 3.4Å; E415-E418 PolarHBondContact O-N 3.15Å; E415-Q419 WeakPolarHBondContact O-CB 3.32Å; E415-Q419 VanDerWaalsContact O-CG 3.32Å; E415-Q419 WeakPolarHBondContact O-CG 3.34Å; E415-Q419 PolarHBondContact O-N 3.21Å; E415-Y543 VanDerWaalsContact CD-OH 3.27Å; E415-Y543 PolarHBondContact OE2-OH 3.33Å
416	D	93.3	Very high	94.3	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-68.2	-32	177.4	-46.6	-28	0	0	0	111	R413 L414 A420	R413-D416 IonicContact CZ-OD1 3.09Å; R413-D416 PolarHBondContact N-OD2 3.15Å; R413-D416 IonicContact NE-OD1 2.72Å; R413-D416 PolarHBondContact NE-OD1 3.3Å; R413-D416 IonicContact NE-OD2 3.58Å; R413-D416 IonicContact NH2-OD1 2.88Å; R413-D416 PolarHBondContact NH2-OD1 3.04Å; R413-D416 PolarHBondContact O-N 3.2Å; L414-D416 PolarHBondContact O-N 3.48Å; D416-A420 WeakPolarHBondContact O-CB 3.25Å; D416-A420 PolarHBondContact O-N 3.1Å
417	I	96.4	Very high	94.2	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-72.3	-47.2	169.8	-63	179.4	0	0	0	110.1	L387 A389 L405 P407 L414 E415 Q419 A420 L421	L387-I417 HydrophobicContact CD1-CG2 4.15Å; L387-I417 HydrophobicContact CD2-CG2 4.46Å; A389-I417 HydrophobicContact CB-CD1 3.67Å; A389-I417 HydrophobicContact CB-CG1 4.32Å; L405-I417 HydrophobicContact CD2-CG2 4.43Å; P407-I417 HydrophobicContact CB-CD1 4.03Å; P407-I417 HydrophobicContact CG-CD1 3.62Å; P407-I417 HydrophobicContact CG-CG1 4.42Å; L414-I417 HydrophobicContact CD1-CB 4.43Å; L414-I417 HydrophobicContact CD1-CD1 4.27Å; L414-I417 WeakPolarHBondContact O-CA 2.89Å; L414-I417 WeakPolarHBondContact O-CB 3.47Å; L414-I417 PolarHBondContact O-N 2.96Å; E415-I417 VanDerWaalsContact C-N 3.3Å; E415-I417 PolarHBondContact O-N 3.4Å; I417-Q419 VanDerWaalsContact C-N 3.3Å; I417-Q419 PolarHBondContact O-N 3.16Å; I417-A420 PolarHBondContact O-N 3.46Å; I417-A420 VanDerWaalsContact O-N 3.1Å; I417-L421 WeakPolarHBondContact O-CB 3.43Å; I417-L421 PolarHBondContact O-N 3.39Å
418	E	95.5	Very high	94.2	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-44.2	-178.1	-63.7	-178.5	155.3	0	0	111.4	Y192 H193 L414 E415 A420 L421 R541	Y192-E418 HydrophobicContact CE1-CB 4.17Å; Y192-E418 HydrophobicContact CE1-CG 3.7Å; Y192-E418 PolarHBondContact OH-OE1 3.3Å; H193-E418 PolarHBondContact CE1-O 3.49Å; H193-E418 VanDerWaalsContact CE1-O 3.3Å; L414-E418 HydrophobicContact CG-CG 4.33Å; L414-E418 WeakPolarHBondContact O-CG 3.1Å; L414-E418 PolarHBondContact O-N 2.84Å; E415-E418 PolarHBondContact O-N 3.15Å; E418-A420 PolarHBondContact O-N 3.48Å; E418-L421 PolarHBondContact O-N 3.38Å; E418-R541 VanDerWaalsContact CD-NH1 3.3Å; E418-R541 WeakPolarHBondContact OE1-CD 3.01Å; E418-R541 IonicContact OE1-CZ 3.36Å; E418-R541 IonicContact OE1-NE 3.72Å; E418-R541 IonicContact OE1-NH1 2.67Å; E418-R541 PolarHBondContact OE1-NH1 3.38Å; E418-R541 IonicContact OE2-NH1 3.7Å; E418-R541 PolarHBondContact OE2-NH1 3.16Å; E418-R541 VanDerWaalsContact OE2-NH1 3.08Å
419	Q	93.5	Very high	94.5	Very high	159 Å²	159	55.7 Å²	55.7	74%	0.743	29%	0.294	S	S	*	.	H	α-helix	trans	-68.3	-30.9	177.7	-70.6	175.9	5	0	0	113.6	E415 I417	E415-Q419 WeakPolarHBondContact O-CB 3.32Å; E415-Q419 VanDerWaalsContact O-CG 3.32Å; E415-Q419 WeakPolarHBondContact O-CG 3.34Å; E415-Q419 PolarHBondContact O-N 3.21Å; I417-Q419 VanDerWaalsContact C-N 3.3Å; I417-Q419 PolarHBondContact O-N 3.16Å
420	A	95.4	Very high	94.8	Very high	35 Å²	35	53.8 Å²	53.8	29%	0.289	28%	0.283	S	S	.	.	H	α-helix	trans	-89.3	-7.5	-178.8	0	0	0	0	0	113.8	L387 D416 I417 E418 S422	L387-A420 HydrophobicContact CD2-CB 3.51Å; L387-A420 WeakPolarHBondContact CD2-O 3.29Å; D416-A420 WeakPolarHBondContact O-CB 3.25Å; D416-A420 PolarHBondContact O-N 3.1Å; I417-A420 PolarHBondContact O-N 3.46Å; I417-A420 VanDerWaalsContact O-N 3.1Å; E418-A420 PolarHBondContact O-N 3.48Å; A420-S422 VanDerWaalsContact C-N 3.27Å; A420-S422 PolarHBondContact O-N 3.07Å
421	L	95.9	Very high	95.2	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	29%	0.287	C	S	.	.			trans	-80.8	65.9	-177	-168	66.6	0	0	0	112.5	L189 L387 L405 I417 E418 F426 L525 M539	L189-L421 HydrophobicContact CD2-CD2 3.9Å; L189-L421 HydrophobicContact CD2-CG 3.97Å; L387-L421 HydrophobicContact CD1-CD1 3.84Å; L405-L421 HydrophobicContact CD2-CD1 4.09Å; I417-L421 WeakPolarHBondContact O-CB 3.43Å; I417-L421 PolarHBondContact O-N 3.39Å; E418-L421 PolarHBondContact O-N 3.38Å; L421-F426 HydrophobicContact CD1-CB 4.2Å; L421-F426 HydrophobicContact CD1-CD2 4.13Å; L421-F426 HydrophobicContact CD2-CD2 4.32Å; L421-F426 HydrophobicContact CG-CD2 4.34Å; L421-L525 HydrophobicContact CD2-CD1 3.66Å; L421-M539 HydrophobicContact CD2-CE 3.94Å
422	S	95.5	Very high	95.7	Very high	41 Å²	41	50.9 Å²	50.9	29%	0.287	27%	0.266	S	S	.	.			trans	-70.5	161.5	172.7	76.7	0	0	0	0	112.3	A420 S424 V425 F426	A420-S422 VanDerWaalsContact C-N 3.27Å; A420-S422 PolarHBondContact O-N 3.07Å; S422-S424 VanDerWaalsContact C-N 3.27Å; S422-S424 PolarHBondContact O-N 3.25Å; S422-S424 PolarHBondContact OG-OG 3.41Å; S422-S424 VanDerWaalsContact OG-OG 3.08Å; S422-V425 PolarHBondContact O-N 3.39Å; S422-V425 VanDerWaalsContact O-N 3.14Å; S422-V425 WeakPolarHBondContact OG-CG2 3.24Å; S422-V425 PolarHBondContact OG-N 2.86Å; S422-F426 WeakPolarHBondContact O-CB 3.2Å; S422-F426 PolarHBondContact O-N 2.87Å
423	P	94.5	Very high	96	Very high	56 Å²	56	48.7 Å²	48.7	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-53.9	-39.7	174.9	-28.7	35.6	0	0	0	114.3	D186 L189 F426 K427	D186-P423 WeakPolarHBondContact OD1-CB 3.29Å; L189-P423 VanDerWaalsContact CD1-CA 3.46Å; L189-P423 HydrophobicContact CD1-CB 4.02Å; L189-P423 HydrophobicContact CD1-CG 3.81Å; P423-F426 PolarHBondContact O-N 3.17Å; P423-K427 WeakPolarHBondContact O-CB 3.41Å; P423-K427 VanDerWaalsContact O-CG 3.26Å; P423-K427 WeakPolarHBondContact O-CG 3.47Å; P423-K427 PolarHBondContact O-N 3.29Å
424	S	95.8	Very high	96.2	Very high	90 Å²	90	48.2 Å²	48.2	63%	0.629	26%	0.26	S	S	*	.	H	α-helix	trans	-69.4	-38.6	178.6	54.1	0	0	0	0	112.5	S422 A428	S422-S424 VanDerWaalsContact C-N 3.27Å; S422-S424 PolarHBondContact O-N 3.25Å; S422-S424 PolarHBondContact OG-OG 3.41Å; S422-S424 VanDerWaalsContact OG-OG 3.08Å; S424-A428 VanDerWaalsContact O-CB 3.29Å; S424-A428 WeakPolarHBondContact O-CB 3.34Å; S424-A428 PolarHBondContact O-N 3.24Å
425	V	97.6	Very high	96.2	Very high	23 Å²	23	55.2 Å²	55.2	14%	0.139	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-45.4	174.1	173.2	0	0	0	0	110.6	T386 L387 S422 A428 I429	T386-V425 HydrophobicContact CG2-CG2 4.06Å; L387-V425 HydrophobicContact CD1-CG1 4.07Å; L387-V425 HydrophobicContact CD2-CG1 3.86Å; L387-V425 HydrophobicContact CG-CG1 3.87Å; S422-V425 PolarHBondContact O-N 3.39Å; S422-V425 VanDerWaalsContact O-N 3.14Å; S422-V425 WeakPolarHBondContact OG-CG2 3.24Å; S422-V425 PolarHBondContact OG-N 2.86Å; V425-A428 PolarHBondContact O-N 2.79Å; V425-I429 HydrophobicContact CG1-CD1 3.79Å; V425-I429 WeakPolarHBondContact O-CG1 3.4Å; V425-I429 PolarHBondContact O-N 2.9Å
426	F	97.9	Very high	96.3	Very high	4 Å²	4	55 Å²	55	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-51.7	177.1	-176.2	-80.4	0	0	0	111.9	V185 L189 L421 S422 P423 A428 I429 M430 L527 W529	V185-F426 HydrophobicContact CB-CE1 4.45Å; V185-F426 HydrophobicContact CG1-CD1 3.46Å; V185-F426 VanDerWaalsContact CG1-CD1 3.46Å; V185-F426 HydrophobicContact CG1-CE1 3.65Å; V185-F426 HydrophobicContact CG1-CG 4.39Å; V185-F426 HydrophobicContact CG2-CE1 3.98Å; L189-F426 HydrophobicContact CD1-CB 3.99Å; L189-F426 HydrophobicContact CD1-CG 4.28Å; L189-F426 HydrophobicContact CD2-CD2 4.09Å; L421-F426 HydrophobicContact CD1-CB 4.2Å; L421-F426 HydrophobicContact CD1-CD2 4.13Å; L421-F426 HydrophobicContact CD2-CD2 4.32Å; L421-F426 HydrophobicContact CG-CD2 4.34Å; S422-F426 WeakPolarHBondContact O-CB 3.2Å; S422-F426 PolarHBondContact O-N 2.87Å; P423-F426 PolarHBondContact O-N 3.17Å; F426-A428 VanDerWaalsContact C-N 3.3Å; F426-A428 PolarHBondContact O-N 3.22Å; F426-I429 WeakPolarHBondContact O-CB 3.45Å; F426-I429 PolarHBondContact O-N 3.48Å; F426-I429 VanDerWaalsContact O-N 3.14Å; F426-M430 HydrophobicContact CD1-CG 3.92Å; F426-M430 HydrophobicContact CE1-CG 3.52Å; F426-M430 HydrophobicContact CE1-SD 4.44Å; F426-M430 HydrophobicContact CZ-CG 3.97Å; F426-M430 HydrophobicContact CZ-SD 4.3Å; F426-M430 WeakPolarHBondContact O-CG 3.33Å; F426-M430 PolarHBondContact O-N 3.01Å; F426-L527 HydrophobicContact CE2-CD1 4.25Å; F426-L527 HydrophobicContact CE2-CD2 4.2Å; F426-L527 HydrophobicContact CZ-CD1 3.84Å; F426-W529 HydrophobicContact CE1-CH2 4.24Å; F426-W529 AromaticContact CE1-CZ3 3.77Å; F426-W529 HydrophobicContact CE1-CZ3 3.77Å; F426-W529 HydrophobicContact CZ-CE3 4.45Å; F426-W529 AromaticContact CZ-CZ3 3.96Å; F426-W529 HydrophobicContact CZ-CZ3 3.96Å
427	K	96.4	Very high	96.4	Very high	64 Å²	64	60.3 Å²	60.3	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-62.1	-37.1	179.5	-68.8	176.7	-169	-169.3	0	111.7	D182 V185 D186 P423 K431	D182-K427 WeakPolarHBondContact OD1-CD 3.3Å; D182-K427 WeakPolarHBondContact OD1-CE 3.25Å; D182-K427 IonicContact OD1-NZ 2.77Å; D182-K427 PolarHBondContact OD1-NZ 3.44Å; V185-K427 HydrophobicContact CG1-CD 4.47Å; V185-K427 HydrophobicContact CG1-CG 4.04Å; D186-K427 VanDerWaalsContact CG-NZ 3.33Å; D186-K427 WeakPolarHBondContact OD1-CE 3.33Å; D186-K427 IonicContact OD1-NZ 3.08Å; D186-K427 PolarHBondContact OD1-NZ 3.13Å; D186-K427 IonicContact OD2-NZ 3.88Å; D186-K427 PolarHBondContact OD2-NZ 3.09Å; D186-K427 VanDerWaalsContact OD2-NZ 3.09Å; P423-K427 WeakPolarHBondContact O-CB 3.41Å; P423-K427 VanDerWaalsContact O-CG 3.26Å; P423-K427 WeakPolarHBondContact O-CG 3.47Å; P423-K427 PolarHBondContact O-N 3.29Å; K427-K431 WeakPolarHBondContact O-CB 3.39Å; K427-K431 PolarHBondContact O-N 3.31Å
428	A	97.8	Very high	96.4	Very high	59 Å²	59	64 Å²	64	49%	0.488	33%	0.333	S	S	.	.	H	α-helix	trans	-65	-41.5	173.5	0	0	0	0	0	112.9	S424 V425 F426 K432	S424-A428 VanDerWaalsContact O-CB 3.29Å; S424-A428 WeakPolarHBondContact O-CB 3.34Å; S424-A428 PolarHBondContact O-N 3.24Å; V425-A428 PolarHBondContact O-N 2.79Å; F426-A428 VanDerWaalsContact C-N 3.3Å; F426-A428 PolarHBondContact O-N 3.22Å; A428-K432 WeakPolarHBondContact O-CB 3.26Å; A428-K432 PolarHBondContact O-N 2.67Å
429	I	98.3	Very high	96.4	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-62.8	-48.1	175.8	-75	167.6	0	0	0	111	F382 L387 V391 L405 V425 F426 K431 K432 L433	F382-I429 HydrophobicContact CZ-CG2 4.16Å; L387-I429 HydrophobicContact CD1-CD1 3.28Å; L387-I429 HydrophobicContact CG-CD1 4.15Å; V391-I429 HydrophobicContact CG1-CG2 3.81Å; V391-I429 HydrophobicContact CG2-CG2 4.32Å; L405-I429 HydrophobicContact CD2-CD1 4.42Å; V425-I429 HydrophobicContact CG1-CD1 3.79Å; V425-I429 WeakPolarHBondContact O-CG1 3.4Å; V425-I429 PolarHBondContact O-N 2.9Å; F426-I429 WeakPolarHBondContact O-CB 3.45Å; F426-I429 PolarHBondContact O-N 3.48Å; F426-I429 VanDerWaalsContact O-N 3.14Å; I429-K431 PolarHBondContact O-N 2.95Å; I429-K432 PolarHBondContact O-N 3.37Å; I429-L433 HydrophobicContact CG2-CD1 4.24Å; I429-L433 PolarHBondContact O-N 2.96Å
430	M	97.9	Very high	96.5	Very high	13 Å²	13	64.9 Å²	64.9	6%	0.064	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-42	-179.6	-65.6	-48.9	-50.7	0	0	112.1	V403 F426 K432 L433 E434 L527 W529	V403-M430 HydrophobicContact CG2-CE 4.02Å; V403-M430 HydrophobicContact CG2-SD 4.4Å; F426-M430 HydrophobicContact CD1-CG 3.92Å; F426-M430 HydrophobicContact CE1-CG 3.52Å; F426-M430 HydrophobicContact CE1-SD 4.44Å; F426-M430 HydrophobicContact CZ-CG 3.97Å; F426-M430 HydrophobicContact CZ-SD 4.3Å; F426-M430 WeakPolarHBondContact O-CG 3.33Å; F426-M430 PolarHBondContact O-N 3.01Å; M430-K432 VanDerWaalsContact C-N 3.32Å; M430-K432 PolarHBondContact O-N 3.42Å; M430-L433 HydrophobicContact CE-CD1 4.11Å; M430-L433 WeakPolarHBondContact O-CB 3.35Å; M430-L433 PolarHBondContact O-N 3.13Å; M430-L433 HydrophobicContact SD-CD1 3.99Å; M430-E434 PolarHBondContact O-N 3.34Å; M430-L527 HydrophobicContact SD-CD1 4.3Å; M430-W529 HydrophobicContact CB-CH2 4.3Å; M430-W529 HydrophobicContact CB-CZ2 4.22Å; M430-W529 HydrophobicContact CE-CB 4.32Å; M430-W529 HydrophobicContact CE-CD2 3.39Å; M430-W529 VanDerWaalsContact CE-CE2 3.43Å; M430-W529 HydrophobicContact CE-CE3 3.9Å; M430-W529 HydrophobicContact CE-CG 3.59Å; M430-W529 HydrophobicContact CE-CH2 4.34Å; M430-W529 HydrophobicContact CE-CZ2 3.9Å; M430-W529 HydrophobicContact CE-CZ3 4.35Å; M430-W529 HydrophobicContact CG-CH2 3.99Å; M430-W529 HydrophobicContact CG-CZ2 4.25Å; M430-W529 HydrophobicContact CG-CZ3 4.17Å; M430-W529 HydrophobicContact SD-CD2 4.47Å; M430-W529 HydrophobicContact SD-CE3 4.43Å
431	K	97.1	Very high	96.5	Very high	141 Å²	141	63.2 Å²	63.2	61%	0.613	33%	0.332	S	S	*	.	H	α-helix	trans	-61.2	-38.9	173.1	-176	174.8	-177.8	174.3	0	112.5	K427 I429 E434 M435	K427-K431 WeakPolarHBondContact O-CB 3.39Å; K427-K431 PolarHBondContact O-N 3.31Å; I429-K431 PolarHBondContact O-N 2.95Å; K431-E434 PolarHBondContact O-N 3.39Å; K431-M435 WeakPolarHBondContact O-CG 3.36Å; K431-M435 PolarHBondContact O-N 3.38Å
432	K	98.1	Very high	96.6	Very high	86 Å²	86	64.9 Å²	64.9	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-70.5	-33.5	177	-173.2	177.7	166.6	-166.8	0	112.1	F382 I383 A428 I429 M430 M435 S436	F382-K432 HydrophobicContact CD1-CD 4.1Å; F382-K432 HydrophobicContact CD1-CG 3.97Å; F382-K432 HydrophobicContact CD2-CD 4Å; F382-K432 VanDerWaalsContact CD2-CE 3.47Å; F382-K432 HydrophobicContact CE1-CB 3.87Å; F382-K432 HydrophobicContact CE1-CD 3.8Å; F382-K432 HydrophobicContact CE1-CG 3.53Å; F382-K432 HydrophobicContact CE2-CD 3.68Å; F382-K432 HydrophobicContact CE2-CG 4.34Å; F382-K432 HydrophobicContact CG-CD 4.19Å; F382-K432 HydrophobicContact CZ-CB 3.85Å; F382-K432 HydrophobicContact CZ-CD 3.58Å; F382-K432 HydrophobicContact CZ-CG 3.74Å; I383-K432 PolarHBondContact O-NZ 3.37Å; A428-K432 WeakPolarHBondContact O-CB 3.26Å; A428-K432 PolarHBondContact O-N 2.67Å; I429-K432 PolarHBondContact O-N 3.37Å; M430-K432 VanDerWaalsContact C-N 3.32Å; M430-K432 PolarHBondContact O-N 3.42Å; K432-M435 PolarHBondContact O-N 2.9Å; K432-S436 WeakPolarHBondContact O-CB 3.44Å; K432-S436 PolarHBondContact O-N 3.14Å; K432-S436 VanDerWaalsContact O-N 3.17Å; K432-S436 PolarHBondContact O-OG 3.47Å
433	L	97.6	Very high	96.7	Very high	2 Å²	2	63 Å²	63	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-44.2	171.9	-77.3	173.1	0	0	0	111.9	F382 V391 Q393 V403 I429 M430 M435 S436	F382-L433 HydrophobicContact CD1-CD2 4.2Å; F382-L433 HydrophobicContact CE1-CD2 3.59Å; F382-L433 HydrophobicContact CE1-CG 3.72Å; F382-L433 HydrophobicContact CZ-CD2 4.31Å; F382-L433 HydrophobicContact CZ-CG 4.12Å; V391-L433 HydrophobicContact CG1-CD1 3.88Å; V391-L433 HydrophobicContact CG1-CD2 4.12Å; V391-L433 HydrophobicContact CG1-CG 4.24Å; Q393-L433 HydrophobicContact CB-CD1 4.44Å; Q393-L433 HydrophobicContact CB-CD2 3.91Å; V403-L433 HydrophobicContact CB-CD1 4.37Å; V403-L433 HydrophobicContact CG1-CD1 3.43Å; V403-L433 VanDerWaalsContact CG1-CD1 3.43Å; V403-L433 HydrophobicContact CG2-CD1 3.95Å; I429-L433 HydrophobicContact CG2-CD1 4.24Å; I429-L433 PolarHBondContact O-N 2.96Å; M430-L433 HydrophobicContact CE-CD1 4.11Å; M430-L433 WeakPolarHBondContact O-CB 3.35Å; M430-L433 PolarHBondContact O-N 3.13Å; M430-L433 HydrophobicContact SD-CD1 3.99Å; L433-M435 PolarHBondContact O-N 2.95Å; L433-S436 WeakPolarHBondContact O-CB 3.5Å; L433-S436 PolarHBondContact O-N 3.03Å
434	E	95.3	Very high	96.8	Very high	125 Å²	125	60.6 Å²	60.6	58%	0.584	31%	0.311	S	S	*	.	H	α-helix	trans	-56.4	-34	175.5	-174.6	176.3	-175.2	0	0	112.6	M430 K431 K534	M430-E434 PolarHBondContact O-N 3.34Å; K431-E434 PolarHBondContact O-N 3.39Å; E434-K534 IonicContact OE1-NZ 3.07Å; E434-K534 PolarHBondContact OE1-NZ 3.33Å; E434-K534 IonicContact OE2-NZ 3.77Å; E434-K534 PolarHBondContact OE2-NZ 2.99Å
435	M	96.4	Very high	96.9	Very high	151 Å²	151	56.3 Å²	56.3	74%	0.744	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-9	174.7	-62.2	-179.5	70.9	0	0	114.3	K431 K432 L433	K431-M435 WeakPolarHBondContact O-CG 3.36Å; K431-M435 PolarHBondContact O-N 3.38Å; K432-M435 PolarHBondContact O-N 2.9Å; L433-M435 PolarHBondContact O-N 2.95Å
436	S	96.8	Very high	96.9	Very high	30 Å²	30	55.2 Å²	55.2	21%	0.21	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-87.7	130.4	-175	-68.8	0	0	0	0	111.6	K432 L433	K432-S436 WeakPolarHBondContact O-CB 3.44Å; K432-S436 PolarHBondContact O-N 3.14Å; K432-S436 VanDerWaalsContact O-N 3.17Å; K432-S436 PolarHBondContact O-OG 3.47Å; L433-S436 WeakPolarHBondContact O-CB 3.5Å; L433-S436 PolarHBondContact O-N 3.03Å
437	K	95.8	Very high	96.7	Very high	169 Å²	169	59.8 Å²	59.8	74%	0.735	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-79.7	133.4	177.8	-63.5	-175.8	-179.4	-178.7	0	111	Q439	K437-Q439 PolarHBondContact O-N 3.01Å
438	F	95.9	Very high	96.4	Very high	79 Å²	79	56.9 Å²	56.9	35%	0.346	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-61.4	126.9	165.5	-68.2	-90.5	0	0	0	109.9	P378 A380 Q393 Q395	P378-F438 HydrophobicContact CB-CB 4.25Å; A380-F438 HydrophobicContact CB-CD1 3.93Å; A380-F438 HydrophobicContact CB-CD2 4.24Å; A380-F438 HydrophobicContact CB-CE1 4.06Å; A380-F438 HydrophobicContact CB-CE2 4.36Å; A380-F438 HydrophobicContact CB-CG 4.02Å; A380-F438 HydrophobicContact CB-CZ 4.28Å; Q393-F438 HydrophobicContact CG-CE1 4.35Å; Q393-F438 HydrophobicContact CG-CZ 4.12Å; Q393-F438 WeakPolarHBondContact O-CE1 3.37Å; Q395-F438 HydrophobicContact CB-CE1 4.15Å; Q395-F438 HydrophobicContact CB-CZ 4.23Å
439	Q	95.1	Very high	96.2	Very high	97 Å²	97	59.4 Å²	59.4	45%	0.453	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154	-177.9	-72.1	174.4	73.4	0	0	110.9	P378 V379 K437 T441 L516	P378-Q439 WeakPolarHBondContact CA-O 3.27Å; V379-Q439 PolarHBondContact N-O 3.02Å; V379-Q439 PolarHBondContact O-N 3.47Å; K437-Q439 PolarHBondContact O-N 3.01Å; Q439-T441 PolarHBondContact O-N 2.71Å; Q439-T441 VanDerWaalsContact O-N 3.14Å; Q439-T441 PolarHBondContact O-OG1 3.32Å; Q439-L516 HydrophobicContact CB-CD1 3.64Å; Q439-L516 HydrophobicContact CG-CD1 4.4Å
440	P	95.6	Very high	96	Very high	90 Å²	90	59.3 Å²	59.3	58%	0.584	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	110.9	174.9	-21.2	33.9	0	0	0	111.5	K376	K376-P440 HydrophobicContact CB-CB 4.12Å
441	T	95.8	Very high	95.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.6	-172.5	-64.1	0	0	0	0	110.5	K375 K376 Y377 V379 H381 Q439 L443 L516 F518	K375-T441 CarbonylContact C-O 3.55Å; K376-T441 CarbonylContact C-O 3.59Å; K376-T441 PolarHBondContact N-O 2.99Å; Y377-T441 PolarHBondContact N-O 3.07Å; Y377-T441 PolarHBondContact O-N 3.03Å; V379-T441 HydrophobicContact CB-CG2 4.32Å; V379-T441 HydrophobicContact CG2-CG2 4.24Å; H381-T441 PolarHBondContact NE2-OG1 3.04Å; Q439-T441 PolarHBondContact O-N 2.71Å; Q439-T441 VanDerWaalsContact O-N 3.14Å; Q439-T441 PolarHBondContact O-OG1 3.32Å; T441-L443 PolarHBondContact O-N 2.81Å; T441-L443 VanDerWaalsContact O-N 3.17Å; T441-L516 HydrophobicContact CG2-CB 4.19Å; T441-F518 HydrophobicContact CG2-CB 3.69Å
442	L	96.9	Very high	95.6	Very high	39 Å²	39	56 Å²	56	20%	0.204	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	105.2	163.6	176.6	66.4	0	0	0	107.7	S374 K375 L515 L516 I517 F518	S374-L442 WeakPolarHBondContact O-CA 3.49Å; K375-L442 HydrophobicContact CG-CD1 4.27Å; L442-L515 HydrophobicContact CB-CD1 4.36Å; L442-L515 HydrophobicContact CB-CD2 4.01Å; L442-L515 HydrophobicContact CB-CG 4.12Å; L442-L515 HydrophobicContact CD2-CD2 4.07Å; L442-L516 PolarHBondContact N-O 2.7Å; L442-I517 HydrophobicContact CB-CG1 4.26Å; L442-I517 HydrophobicContact CD2-CD1 4.35Å; L442-I517 HydrophobicContact CD2-CG1 4.18Å; L442-I517 HydrophobicContact CD2-CG2 4.38Å; L442-I517 WeakPolarHBondContact O-CA 3.48Å; L442-F518 PolarHBondContact O-N 2.82Å
443	L	97.9	Very high	95.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.5	-177.4	176.1	63.9	0	0	0	110.3	F350 N373 S374 Y377 V379 L394 T441 L445 F518	F350-L443 HydrophobicContact CE1-CD2 3.66Å; F350-L443 HydrophobicContact CE1-CG 4.3Å; F350-L443 HydrophobicContact CZ-CD2 3.58Å; N373-L443 WeakPolarHBondContact CA-O 3.25Å; S374-L443 PolarHBondContact N-O 2.96Å; S374-L443 PolarHBondContact O-N 3.19Å; Y377-L443 HydrophobicContact CD1-CD2 3.44Å; Y377-L443 VanDerWaalsContact CD1-CD2 3.44Å; Y377-L443 HydrophobicContact CD2-CD2 4.05Å; Y377-L443 HydrophobicContact CE1-CD2 3.98Å; Y377-L443 HydrophobicContact CG-CB 4.39Å; Y377-L443 HydrophobicContact CG-CD2 3.47Å; Y377-L443 VanDerWaalsContact CG-CD2 3.47Å; V379-L443 HydrophobicContact CG2-CB 4.38Å; V379-L443 HydrophobicContact CG2-CD1 4.4Å; V379-L443 HydrophobicContact CG2-CD2 4.12Å; L394-L443 HydrophobicContact CD2-CD2 3.55Å; L394-L443 HydrophobicContact CG-CD2 4.44Å; T441-L443 PolarHBondContact O-N 2.81Å; T441-L443 VanDerWaalsContact O-N 3.17Å; L443-L445 HydrophobicContact CD1-CB 4.25Å; L443-L445 HydrophobicContact CG-CB 4.39Å; L443-F518 WeakPolarHBondContact CA-O 3.38Å; L443-F518 HydrophobicContact CD1-CB 4.44Å; L443-F518 HydrophobicContact CD1-CD1 3.81Å; L443-F518 WeakPolarHBondContact CD1-O 3.41Å
444	V	97.6	Very high	95.3	Very high	6 Å²	6	55.5 Å²	55.5	4%	0.036	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	115.2	170.2	-171.2	0	0	0	0	107.9	M371 F518 E519 V520	M371-V444 HydrophobicContact CB-CG1 3.91Å; M371-V444 HydrophobicContact CG-CG1 4.33Å; M371-V444 HydrophobicContact SD-CG1 3.77Å; V444-F518 PolarHBondContact N-O 3.14Å; V444-E519 HydrophobicContact CB-CB 4.46Å; V444-E519 HydrophobicContact CB-CG 4.01Å; V444-E519 HydrophobicContact CG2-CG 3.91Å; V444-V520 PolarHBondContact O-N 3.32Å
445	L	97.8	Very high	95.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	127.7	-171.6	-178.8	70.2	0	0	0	109.5	W346 F350 M371 M372 L394 I404 L443 V520	W346-L445 HydrophobicContact CH2-CD2 3.99Å; W346-L445 HydrophobicContact CZ2-CD2 4.1Å; F350-L445 HydrophobicContact CZ-CD2 4.33Å; M371-L445 CarbonylContact C-O 3.58Å; M371-L445 WeakPolarHBondContact CA-O 3.41Å; M372-L445 WeakPolarHBondContact CB-O 3.41Å; M372-L445 HydrophobicContact CE-CB 4.46Å; M372-L445 HydrophobicContact CE-CD2 3.8Å; M372-L445 HydrophobicContact CE-CG 4.11Å; M372-L445 PolarHBondContact N-O 2.88Å; M372-L445 PolarHBondContact O-N 3.06Å; L394-L445 HydrophobicContact CD2-CD2 3.86Å; I404-L445 HydrophobicContact CD1-CD1 3.27Å; I404-L445 HydrophobicContact CD1-CD2 4.45Å; L443-L445 HydrophobicContact CD1-CB 4.25Å; L443-L445 HydrophobicContact CG-CB 4.39Å; L445-V520 HydrophobicContact CD1-CB 4.03Å; L445-V520 HydrophobicContact CD1-CG1 4.29Å; L445-V520 HydrophobicContact CD1-CG2 3.77Å
446	P	96.9	Very high	95.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	151.6	173.7	27.8	-33.8	0	0	0	109.9	V369 M371 I448 V520 F524 P545	V369-P446 HydrophobicContact CG2-CB 4.28Å; M371-P446 HydrophobicContact CE-CB 4.37Å; M371-P446 HydrophobicContact CG-CB 4.49Å; M371-P446 HydrophobicContact SD-CB 4.01Å; M371-P446 VanDerWaalsContact SD-CD 3.56Å; M371-P446 HydrophobicContact SD-CG 4.34Å; P446-I448 PolarHBondContact O-N 2.82Å; P446-V520 WeakPolarHBondContact CD-O 3.24Å; P446-F524 HydrophobicContact CG-CE1 3.85Å; P446-F524 HydrophobicContact CG-CZ 4.17Å; P446-P545 HydrophobicContact CB-CB 3.8Å; P446-P545 HydrophobicContact CB-CG 4.03Å; P446-P545 HydrophobicContact CG-CB 4.31Å; P446-P545 HydrophobicContact CG-CG 4.13Å
447	R	93.8	Very high	95.3	Very high	100 Å²	100	44.4 Å²	44.4	38%	0.377	22%	0.217	S	C	.	.			trans	-56.5	137.6	161.7	-68.4	-177.1	-179.2	168.2	-3.1	108.4	P370 M372 E498	P370-R447 PolarHBondContact O-N 3.46Å; P370-R447 VanDerWaalsContact O-N 3.16Å; M372-R447 HydrophobicContact CG-CG 3.95Å; M372-R447 HydrophobicContact SD-CG 4.05Å; R447-E498 IonicContact CZ-OE1 2.66Å; R447-E498 VanDerWaalsContact CZ-OE1 3.25Å; R447-E498 IonicContact CZ-OE2 2.81Å; R447-E498 IonicContact NE-OE1 2.83Å; R447-E498 PolarHBondContact NE-OE1 3.18Å; R447-E498 IonicContact NE-OE2 3.24Å; R447-E498 PolarHBondContact NE-OE2 3.4Å; R447-E498 VanDerWaalsContact NE-OE2 3.07Å; R447-E498 VanDerWaalsContact NH2-CD 3.26Å; R447-E498 IonicContact NH2-OE1 3.35Å; R447-E498 PolarHBondContact NH2-OE1 3.16Å; R447-E498 IonicContact NH2-OE2 2.74Å; R447-E498 PolarHBondContact NH2-OE2 2.9Å
448	I	91.1	Very high	95.3	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.8	-179.4	-55.1	179.8	0	0	0	107.1	L402 P446 V450 L494 E495 L496 F524 V542	L402-I448 HydrophobicContact CD2-CD1 3.74Å; P446-I448 PolarHBondContact O-N 2.82Å; I448-V450 HydrophobicContact CG2-CG2 4.1Å; I448-L494 HydrophobicContact CB-CD2 4.31Å; I448-L494 HydrophobicContact CG2-CD2 3.61Å; I448-E495 CarbonylContact O-C 3.47Å; I448-E495 VanDerWaalsContact O-CA 3.29Å; I448-E495 WeakPolarHBondContact O-CA 3.31Å; I448-L496 HydrophobicContact CB-CB 4.38Å; I448-L496 PolarHBondContact N-O 2.98Å; I448-L496 VanDerWaalsContact N-O 3.12Å; I448-L496 PolarHBondContact O-N 2.89Å; I448-F524 HydrophobicContact CD1-CE2 3.97Å; I448-F524 HydrophobicContact CD1-CZ 4.01Å; I448-F524 HydrophobicContact CG1-CZ 4.19Å; I448-V542 HydrophobicContact CG2-CG2 4.28Å
449	K	92.6	Very high	95.4	Very high	112 Å²	112	34.5 Å²	34.5	49%	0.487	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.4	165.5	-174.1	169.3	-175.9	145.7	0	106.8	L494 E495	K449-L494 CarbonylContact C-O 3.52Å; K449-L494 WeakPolarHBondContact CA-O 3.33Å; K449-E495 WeakPolarHBondContact CE-OE1 3.29Å; K449-E495 IonicContact NZ-OE1 2.71Å; K449-E495 PolarHBondContact NZ-OE1 3.38Å
450	V	93.3	Very high	95.5	Very high	2 Å²	2	30 Å²	30	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	124	177.1	-174	0	0	0	0	107.9	N204 A206 I448 L494 F526 V542	N204-V450 HydrophobicContact CB-CG1 4.22Å; A206-V450 HydrophobicContact CB-CB 3.94Å; A206-V450 HydrophobicContact CB-CG1 3.63Å; I448-V450 HydrophobicContact CG2-CG2 4.1Å; V450-L494 PolarHBondContact N-O 3.1Å; V450-L494 PolarHBondContact O-N 3.31Å; V450-F526 HydrophobicContact CG2-CE1 4.39Å; V450-V542 HydrophobicContact CG2-CG2 3.93Å
451	T	93.3	Very high	95.5	Very high	76 Å²	76	29.9 Å²	29.9	47%	0.466	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.9	167.9	-60.4	0	0	0	0	108.2	A492 V493	T451-A492 WeakPolarHBondContact CA-O 3.31Å; T451-V493 HydrophobicContact CG2-CG2 3.94Å
452	T	94.1	Very high	95.5	Very high	9 Å²	9	35.9 Å²	35.9	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	122	175	-66.3	0	0	0	0	107.9	F195 M205 A206 Q491 A492	F195-T452 HydrophobicContact CE1-CG2 4.39Å; M205-T452 WeakPolarHBondContact CA-OG1 3.46Å; A206-T452 PolarHBondContact N-OG1 2.96Å; A206-T452 VanDerWaalsContact N-OG1 3.11Å; A206-T452 WeakPolarHBondContact O-CB 3.46Å; A206-T452 PolarHBondContact O-OG1 3.19Å; T452-Q491 VanDerWaalsContact O-CA 3.29Å; T452-Q491 WeakPolarHBondContact O-CA 3.39Å; T452-Q491 WeakPolarHBondContact O-CG 3.48Å; T452-A492 PolarHBondContact N-O 2.8Å; T452-A492 PolarHBondContact O-N 3.35Å
453	N	94.8	Very high	95.5	Very high	52 Å²	52	35.6 Å²	35.6	28%	0.278	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.4	164.4	-162	6.3	0	0	0	107.5	L315 Q489 H490 Q491	L315-N453 PolarHBondContact O-ND2 3.42Å; N453-Q489 WeakPolarHBondContact OD1-CG 3.46Å; N453-Q489 PolarHBondContact OD1-NE2 3.1Å; N453-H490 PolarHBondContact OD1-O 3.14Å; N453-Q491 HydrophobicContact CB-CG 4.15Å
454	Q	95.8	Very high	95.4	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.117	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	124.9	-174.4	-175.5	57.9	60.2	0	0	110.4	F195 M456 I459 Q489 H490	F195-Q454 HydrophobicContact CD1-CG 4.42Å; F195-Q454 HydrophobicContact CE1-CB 3.91Å; F195-Q454 HydrophobicContact CE1-CG 3.71Å; F195-Q454 HydrophobicContact CZ-CB 4.15Å; F195-Q454 HydrophobicContact CZ-CG 3.81Å; Q454-M456 HydrophobicContact CG-SD 4.27Å; Q454-M456 PolarHBondContact O-N 3.17Å; Q454-I459 HydrophobicContact CG-CD1 4.2Å; Q454-I459 HydrophobicContact CG-CG1 3.76Å; Q454-Q489 VanDerWaalsContact C-NE2 3.32Å; Q454-Q489 PolarHBondContact O-NE2 3.21Å; Q454-H490 PolarHBondContact N-O 3.06Å; Q454-H490 PolarHBondContact O-N 2.89Å
455	D	95.3	Very high	95.3	Very high	46 Å²	46	43.5 Å²	43.5	25%	0.246	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	121.9	158.9	162.1	46.2	0	0	0	108.1	L457 S458	D455-L457 WeakPolarHBondContact OD1-CB 3.34Å; D455-L457 PolarHBondContact OD1-N 2.8Å; D455-S458 VanDerWaalsContact OD2-CB 3.3Å; D455-S458 WeakPolarHBondContact OD2-CB 3.47Å; D455-S458 PolarHBondContact OD2-N 3.42Å; D455-S458 VanDerWaalsContact OD2-N 3.08Å; D455-S458 PolarHBondContact OD2-OG 3.39Å
456	M	96.9	Very high	95.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-87.9	-18.1	-178.5	-69.9	-62.9	-53.8	0	0	112.6	L191 F195 I212 Q454 S458 I459 M460 M488 H490	L191-M456 HydrophobicContact CD2-CE 4Å; F195-M456 HydrophobicContact CE2-CE 4.13Å; F195-M456 HydrophobicContact CE2-SD 3.84Å; F195-M456 HydrophobicContact CZ-SD 3.68Å; I212-M456 HydrophobicContact CD1-CE 3.95Å; I212-M456 HydrophobicContact CD1-SD 4.1Å; I212-M456 HydrophobicContact CG1-CE 4.34Å; I212-M456 HydrophobicContact CG2-CE 3.77Å; Q454-M456 HydrophobicContact CG-SD 4.27Å; Q454-M456 PolarHBondContact O-N 3.17Å; M456-S458 VanDerWaalsContact C-N 3.33Å; M456-S458 PolarHBondContact O-N 2.84Å; M456-I459 HydrophobicContact CE-CB 3.91Å; M456-I459 HydrophobicContact CE-CG1 4.43Å; M456-I459 HydrophobicContact CE-CG2 3.69Å; M456-I459 CarbonylContact O-C 3.55Å; M456-I459 WeakPolarHBondContact O-CA 3.34Å; M456-I459 WeakPolarHBondContact O-CB 3.36Å; M456-I459 PolarHBondContact O-N 3.42Å; M456-I459 HydrophobicContact SD-CB 4.26Å; M456-I459 HydrophobicContact SD-CG1 4.16Å; M456-I459 HydrophobicContact SD-CG2 4.45Å; M456-M460 VanDerWaalsContact O-CG 3.28Å; M456-M460 WeakPolarHBondContact O-CG 3.42Å; M456-M460 PolarHBondContact O-N 2.81Å; M456-M488 HydrophobicContact CB-CB 4.07Å; M456-M488 HydrophobicContact CB-CE 3.92Å; M456-M488 HydrophobicContact CB-CG 3.64Å; M456-M488 WeakPolarHBondContact CB-O 3.45Å; M456-M488 HydrophobicContact CB-SD 3.52Å; M456-M488 VanDerWaalsContact CB-SD 3.52Å; M456-M488 HydrophobicContact CG-CE 4.21Å; M456-M488 HydrophobicContact CG-CG 4.38Å; M456-M488 HydrophobicContact CG-SD 4.42Å; M456-M488 PolarHBondContact N-O 3.41Å; M456-H490 HydrophobicContact CG-CB 3.51Å; M456-H490 HydrophobicContact SD-CB 3.7Å
457	L	95.4	Very high	95.1	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.141	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-50.4	175.4	-61.7	-179	0	0	0	109.8	D455 I459 M460 E461 F468 V485 M488	D455-L457 WeakPolarHBondContact OD1-CB 3.34Å; D455-L457 PolarHBondContact OD1-N 2.8Å; L457-I459 PolarHBondContact O-N 2.75Å; L457-I459 VanDerWaalsContact O-N 3.12Å; L457-M460 PolarHBondContact O-N 2.83Å; L457-E461 PolarHBondContact O-N 3.36Å; L457-F468 HydrophobicContact CD2-CB 3.93Å; L457-F468 HydrophobicContact CD2-CD2 3.75Å; L457-F468 HydrophobicContact CD2-CG 4.2Å; L457-V485 HydrophobicContact CD2-CB 4.37Å; L457-V485 HydrophobicContact CD2-CG1 3.97Å; L457-M488 HydrophobicContact CD2-CB 3.74Å; L457-M488 HydrophobicContact CG-CB 4.05Å
458	S	95.4	Very high	95	Very high	39 Å²	39	44.5 Å²	44.5	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-57.9	-25.8	173.2	-56	0	0	0	0	114.3	D455 M456 K462	D455-S458 VanDerWaalsContact OD2-CB 3.3Å; D455-S458 WeakPolarHBondContact OD2-CB 3.47Å; D455-S458 PolarHBondContact OD2-N 3.42Å; D455-S458 VanDerWaalsContact OD2-N 3.08Å; D455-S458 PolarHBondContact OD2-OG 3.39Å; M456-S458 VanDerWaalsContact C-N 3.33Å; M456-S458 PolarHBondContact O-N 2.84Å; S458-K462 WeakPolarHBondContact O-CG 3.48Å
459	I	97.4	Very high	94.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-81.7	-39.1	176.6	-63.7	-71.4	0	0	0	110.8	L191 A194 F195 M198 Q454 M456 L457 K462 L463	L191-I459 HydrophobicContact CD2-CG2 3.85Å; A194-I459 HydrophobicContact CB-CG2 4.06Å; F195-I459 HydrophobicContact CD2-CD1 3.75Å; F195-I459 HydrophobicContact CD2-CG1 4.24Å; F195-I459 HydrophobicContact CD2-CG2 4.03Å; F195-I459 HydrophobicContact CE2-CD1 4.07Å; F195-I459 HydrophobicContact CE2-CG1 4.05Å; F195-I459 HydrophobicContact CE2-CG2 3.93Å; F195-I459 HydrophobicContact CG-CD1 4.05Å; M198-I459 HydrophobicContact CB-CD1 4.02Å; M198-I459 HydrophobicContact CG-CD1 3.81Å; Q454-I459 HydrophobicContact CG-CD1 4.2Å; Q454-I459 HydrophobicContact CG-CG1 3.76Å; M456-I459 HydrophobicContact CE-CB 3.91Å; M456-I459 HydrophobicContact CE-CG1 4.43Å; M456-I459 HydrophobicContact CE-CG2 3.69Å; M456-I459 CarbonylContact O-C 3.55Å; M456-I459 WeakPolarHBondContact O-CA 3.34Å; M456-I459 WeakPolarHBondContact O-CB 3.36Å; M456-I459 PolarHBondContact O-N 3.42Å; M456-I459 HydrophobicContact SD-CB 4.26Å; M456-I459 HydrophobicContact SD-CG1 4.16Å; M456-I459 HydrophobicContact SD-CG2 4.45Å; L457-I459 PolarHBondContact O-N 2.75Å; L457-I459 VanDerWaalsContact O-N 3.12Å; I459-K462 WeakPolarHBondContact O-CB 3.36Å; I459-K462 PolarHBondContact O-N 3.34Å; I459-L463 WeakPolarHBondContact O-CG 3.5Å; I459-L463 PolarHBondContact O-N 2.96Å; I459-L463 VanDerWaalsContact O-N 3.15Å
460	M	97.3	Very high	94.5	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-41.2	177.3	-64.4	-62.7	-69.3	0	0	110.9	L216 L231 V234 M456 L457 K462 L463 E464 F465 F468 M488	L216-M460 HydrophobicContact CD1-CE 3.96Å; L216-M460 HydrophobicContact CD1-SD 3.83Å; L216-M460 HydrophobicContact CD2-CE 3.82Å; L216-M460 HydrophobicContact CD2-SD 4.16Å; L231-M460 HydrophobicContact CD2-CE 4.39Å; V234-M460 HydrophobicContact CG1-CE 4.06Å; M456-M460 VanDerWaalsContact O-CG 3.28Å; M456-M460 WeakPolarHBondContact O-CG 3.42Å; M456-M460 PolarHBondContact O-N 2.81Å; L457-M460 PolarHBondContact O-N 2.83Å; M460-K462 VanDerWaalsContact C-N 3.26Å; M460-K462 PolarHBondContact O-N 3.1Å; M460-L463 CarbonylContact O-C 3.51Å; M460-L463 WeakPolarHBondContact O-CA 3.3Å; M460-L463 WeakPolarHBondContact O-CB 3.49Å; M460-L463 PolarHBondContact O-N 3.02Å; M460-E464 PolarHBondContact O-N 2.74Å; M460-F465 CarbonylContact C-O 3.54Å; M460-F465 VanDerWaalsContact C-O 3.28Å; M460-F465 HydrophobicContact CB-CB 4.25Å; M460-F465 HydrophobicContact CB-CD1 3.99Å; M460-F465 HydrophobicContact CE-CB 4.06Å; M460-F465 HydrophobicContact CE-CD1 3.47Å; M460-F465 VanDerWaalsContact CE-CD1 3.47Å; M460-F465 HydrophobicContact CE-CD2 4.26Å; M460-F465 HydrophobicContact CE-CE1 3.89Å; M460-F465 HydrophobicContact CE-CG 3.66Å; M460-F465 HydrophobicContact CE-CZ 4.45Å; M460-F465 WeakPolarHBondContact O-CB 3.32Å; M460-F465 PolarHBondContact O-N 3.04Å; M460-F468 HydrophobicContact CB-CD2 4.48Å; M460-F468 HydrophobicContact CE-CE2 4.04Å; M460-F468 HydrophobicContact CG-CD2 4.18Å; M460-F468 HydrophobicContact CG-CE2 3.94Å; M460-M488 HydrophobicContact CG-SD 4.36Å
461	E	95.4	Very high	94.2	Very high	89 Å²	89	56.5 Å²	56.5	42%	0.416	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-36.5	171.9	-68.8	-179.2	180	0	0	112.4	L457 L463 E464 F465 F466	L457-E461 PolarHBondContact O-N 3.36Å; E461-L463 PolarHBondContact O-N 2.96Å; E461-E464 PolarHBondContact O-N 3.47Å; E461-E464 VanDerWaalsContact O-N 3.08Å; E461-F465 PolarHBondContact N-O 3.46Å; E461-F466 HydrophobicContact CB-CD1 4.36Å; E461-F466 HydrophobicContact CB-CE1 4.01Å; E461-F466 HydrophobicContact CG-CD1 4.04Å; E461-F466 HydrophobicContact CG-CE1 4.17Å
462	K	96.3	Very high	94.3	Very high	126 Å²	126	54 Å²	54	55%	0.548	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13	173.2	-71.1	-62	-179.3	-158.7	0	114.4	A194 M198 S458 I459 M460 E464	A194-K462 HydrophobicContact CB-CB 4.01Å; M198-K462 HydrophobicContact CG-CG 3.85Å; M198-K462 HydrophobicContact SD-CD 4.18Å; M198-K462 WeakPolarHBondContact SD-CE 3.49Å; M198-K462 HydrophobicContact SD-CG 3.66Å; S458-K462 WeakPolarHBondContact O-CG 3.48Å; I459-K462 WeakPolarHBondContact O-CB 3.36Å; I459-K462 PolarHBondContact O-N 3.34Å; M460-K462 VanDerWaalsContact C-N 3.26Å; M460-K462 PolarHBondContact O-N 3.1Å; K462-E464 VanDerWaalsContact C-N 3.35Å
463	L	96.9	Very high	94.3	Very high	32 Å²	32	54.9 Å²	54.9	17%	0.168	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	15.9	168.8	-62.7	-178.3	0	0	0	112.1	F187 K190 L191 A194 V234 I459 M460 E461 F465	F187-L463 HydrophobicContact CE2-CD1 4.21Å; K190-L463 HydrophobicContact CB-CD2 3.87Å; L191-L463 HydrophobicContact CD2-CD1 4.01Å; A194-L463 HydrophobicContact CB-CD2 3.84Å; A194-L463 HydrophobicContact CB-CG 4.13Å; V234-L463 HydrophobicContact CG1-CD1 4.07Å; I459-L463 WeakPolarHBondContact O-CG 3.5Å; I459-L463 PolarHBondContact O-N 2.96Å; I459-L463 VanDerWaalsContact O-N 3.15Å; M460-L463 CarbonylContact O-C 3.51Å; M460-L463 WeakPolarHBondContact O-CA 3.3Å; M460-L463 WeakPolarHBondContact O-CB 3.49Å; M460-L463 PolarHBondContact O-N 3.02Å; E461-L463 PolarHBondContact O-N 2.96Å; L463-F465 PolarHBondContact O-N 2.73Å
464	E	95.9	Very high	94.4	Very high	168 Å²	168	52.8 Å²	52.8	79%	0.785	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	25.3	-179.7	-55.3	179.8	163.4	0	0	113.5	M460 E461 K462 F466	M460-E464 PolarHBondContact O-N 2.74Å; E461-E464 PolarHBondContact O-N 3.47Å; E461-E464 VanDerWaalsContact O-N 3.08Å; K462-E464 VanDerWaalsContact C-N 3.35Å; E464-F466 HydrophobicContact CB-CE2 4.2Å; E464-F466 WeakPolarHBondContact O-CD2 3.4Å; E464-F466 WeakPolarHBondContact O-CE2 3.25Å
465	F	96.1	Very high	94.4	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.018	26%	0.259	C	S	.	.			trans	-103.6	110.8	174.5	-175.4	-87.3	0	0	0	110.2	T227 N230 L231 V234 M460 E461 L463 D467 F468	T227-F465 HydrophobicContact CG2-CZ 4.42Å; N230-F465 HydrophobicContact CB-CD2 3.8Å; N230-F465 HydrophobicContact CB-CE2 3.69Å; L231-F465 HydrophobicContact CB-CE2 4.43Å; L231-F465 HydrophobicContact CD2-CD2 4.47Å; L231-F465 HydrophobicContact CD2-CE1 4.31Å; L231-F465 HydrophobicContact CD2-CE2 3.61Å; L231-F465 HydrophobicContact CD2-CZ 3.49Å; L231-F465 VanDerWaalsContact CD2-CZ 3.49Å; L231-F465 HydrophobicContact CG-CE2 3.65Å; L231-F465 HydrophobicContact CG-CZ 3.73Å; V234-F465 HydrophobicContact CG2-CB 3.74Å; V234-F465 HydrophobicContact CG2-CD2 3.76Å; V234-F465 HydrophobicContact CG2-CG 4.1Å; M460-F465 CarbonylContact C-O 3.54Å; M460-F465 VanDerWaalsContact C-O 3.28Å; M460-F465 HydrophobicContact CB-CB 4.25Å; M460-F465 HydrophobicContact CB-CD1 3.99Å; M460-F465 HydrophobicContact CE-CB 4.06Å; M460-F465 HydrophobicContact CE-CD1 3.47Å; M460-F465 VanDerWaalsContact CE-CD1 3.47Å; M460-F465 HydrophobicContact CE-CD2 4.26Å; M460-F465 HydrophobicContact CE-CE1 3.89Å; M460-F465 HydrophobicContact CE-CG 3.66Å; M460-F465 HydrophobicContact CE-CZ 4.45Å; M460-F465 WeakPolarHBondContact O-CB 3.32Å; M460-F465 PolarHBondContact O-N 3.04Å; E461-F465 PolarHBondContact N-O 3.46Å; L463-F465 PolarHBondContact O-N 2.73Å; F465-D467 HydrophobicContact CE1-CB 3.85Å; F465-D467 HydrophobicContact CE2-CB 4.06Å; F465-D467 HydrophobicContact CZ-CB 3.59Å; F465-F468 HydrophobicContact CD1-CD2 4.18Å; F465-F468 HydrophobicContact CD1-CE2 4.35Å; F465-F468 HydrophobicContact CD1-CG 4.4Å; F465-F468 HydrophobicContact CE1-CB 4.42Å; F465-F468 AromaticContact CE1-CD1 3.68Å; F465-F468 HydrophobicContact CE1-CD1 3.68Å; F465-F468 AromaticContact CE1-CD2 3.73Å; F465-F468 HydrophobicContact CE1-CD2 3.73Å; F465-F468 AromaticContact CE1-CE1 3.73Å; F465-F468 HydrophobicContact CE1-CE1 3.73Å; F465-F468 AromaticContact CE1-CE2 3.79Å; F465-F468 HydrophobicContact CE1-CE2 3.79Å; F465-F468 AromaticContact CE1-CG 3.67Å; F465-F468 HydrophobicContact CE1-CG 3.67Å; F465-F468 AromaticContact CE1-CZ 3.79Å; F465-F468 HydrophobicContact CE1-CZ 3.79Å; F465-F468 HydrophobicContact CZ-CD1 4.27Å; F465-F468 HydrophobicContact CZ-CE1 4.06Å; F465-F468 HydrophobicContact CZ-CZ 4.28Å
466	F	94.9	Very high	94.3	Very high	107 Å²	107	51.1 Å²	51.1	47%	0.469	25%	0.254	S	S	.	.			trans	-110.7	-7.8	-175.1	-56.7	-76.3	0	0	0	112.9	E461 E464 F468 S469 Y470	E461-F466 HydrophobicContact CB-CD1 4.36Å; E461-F466 HydrophobicContact CB-CE1 4.01Å; E461-F466 HydrophobicContact CG-CD1 4.04Å; E461-F466 HydrophobicContact CG-CE1 4.17Å; E464-F466 HydrophobicContact CB-CE2 4.2Å; E464-F466 WeakPolarHBondContact O-CD2 3.4Å; E464-F466 WeakPolarHBondContact O-CE2 3.25Å; F466-F468 PolarHBondContact O-N 2.57Å; F466-F468 VanDerWaalsContact O-N 3.08Å; F466-S469 PolarHBondContact O-N 2.91Å; F466-Y470 PolarHBondContact O-N 2.77Å; F466-Y470 VanDerWaalsContact O-N 3.13Å
467	D	94.3	Very high	94.3	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.064	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.3	-170.9	-59.5	54.5	0	0	0	113.6	T227 N230 F465 S469 Y470 L472	T227-D467 WeakPolarHBondContact CA-OD2 3.39Å; T227-D467 WeakPolarHBondContact CB-OD2 3.4Å; T227-D467 HydrophobicContact CG2-CB 4.12Å; T227-D467 PolarHBondContact N-OD2 3.21Å; T227-D467 PolarHBondContact OG1-OD2 2.72Å; N230-D467 PolarHBondContact ND2-OD1 3Å; N230-D467 PolarHBondContact ND2-OD2 3.36Å; F465-D467 HydrophobicContact CE1-CB 3.85Å; F465-D467 HydrophobicContact CE2-CB 4.06Å; F465-D467 HydrophobicContact CZ-CB 3.59Å; D467-S469 PolarHBondContact O-N 2.85Å; D467-Y470 CarbonylContact C-O 3.55Å; D467-Y470 VanDerWaalsContact CA-O 3.25Å; D467-Y470 WeakPolarHBondContact CA-O 3.38Å; D467-Y470 PolarHBondContact O-N 2.92Å; D467-L472 HydrophobicContact CB-CD1 4.41Å; D467-L472 WeakPolarHBondContact O-CA 3.18Å; D467-L472 VanDerWaalsContact O-CB 3.23Å; D467-L472 WeakPolarHBondContact O-CB 3.23Å
468	F	92.4	Very high	94.3	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.9	177.1	-71.6	-21.1	0	0	0	114.5	L216 V219 L231 L327 L457 M460 F465 F466 L472 V485 M488	L216-F468 HydrophobicContact CD2-CE2 3.94Å; L216-F468 HydrophobicContact CD2-CZ 3.69Å; V219-F468 HydrophobicContact CG1-CE1 4.17Å; L231-F468 HydrophobicContact CD2-CZ 4.48Å; L327-F468 HydrophobicContact CD1-CE1 4.25Å; L327-F468 HydrophobicContact CD1-CE2 4.48Å; L327-F468 HydrophobicContact CD1-CZ 4.05Å; L457-F468 HydrophobicContact CD2-CB 3.93Å; L457-F468 HydrophobicContact CD2-CD2 3.75Å; L457-F468 HydrophobicContact CD2-CG 4.2Å; M460-F468 HydrophobicContact CB-CD2 4.48Å; M460-F468 HydrophobicContact CE-CE2 4.04Å; M460-F468 HydrophobicContact CG-CD2 4.18Å; M460-F468 HydrophobicContact CG-CE2 3.94Å; F465-F468 HydrophobicContact CD1-CD2 4.18Å; F465-F468 HydrophobicContact CD1-CE2 4.35Å; F465-F468 HydrophobicContact CD1-CG 4.4Å; F465-F468 HydrophobicContact CE1-CB 4.42Å; F465-F468 AromaticContact CE1-CD1 3.68Å; F465-F468 HydrophobicContact CE1-CD1 3.68Å; F465-F468 AromaticContact CE1-CD2 3.73Å; F465-F468 HydrophobicContact CE1-CD2 3.73Å; F465-F468 AromaticContact CE1-CE1 3.73Å; F465-F468 HydrophobicContact CE1-CE1 3.73Å; F465-F468 AromaticContact CE1-CE2 3.79Å; F465-F468 HydrophobicContact CE1-CE2 3.79Å; F465-F468 AromaticContact CE1-CG 3.67Å; F465-F468 HydrophobicContact CE1-CG 3.67Å; F465-F468 AromaticContact CE1-CZ 3.79Å; F465-F468 HydrophobicContact CE1-CZ 3.79Å; F465-F468 HydrophobicContact CZ-CD1 4.27Å; F465-F468 HydrophobicContact CZ-CE1 4.06Å; F465-F468 HydrophobicContact CZ-CZ 4.28Å; F466-F468 PolarHBondContact O-N 2.57Å; F466-F468 VanDerWaalsContact O-N 3.08Å; F468-L472 HydrophobicContact CD1-CD1 4.04Å; F468-V485 HydrophobicContact CB-CB 4.03Å; F468-V485 HydrophobicContact CB-CG2 4.12Å; F468-V485 HydrophobicContact CD1-CB 4.32Å; F468-V485 HydrophobicContact CD1-CG2 3.52Å; F468-V485 HydrophobicContact CE1-CG2 4.11Å; F468-V485 HydrophobicContact CG-CB 4.17Å; F468-V485 HydrophobicContact CG-CG2 3.87Å; F468-V485 PolarHBondContact O-N 3.43Å; F468-M488 HydrophobicContact CD2-SD 4.44Å; F468-M488 HydrophobicContact CE2-SD 3.71Å; F468-M488 HydrophobicContact CZ-SD 4.48Å
469	S	86.7	Confident	94.2	Very high	71 Å²	71	55.4 Å²	55.4	50%	0.497	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-9.1	-179.8	-52.4	0	0	0	0	112.9	F466 D467	F466-S469 PolarHBondContact O-N 2.91Å; D467-S469 PolarHBondContact O-N 2.85Å
470	Y	86.3	Confident	94	Very high	186 Å²	186	57.4 Å²	57.4	73%	0.729	28%	0.28	S	S	*	.	S	Bend	trans	-159.2	127.3	-172.6	-169.4	-86.7	0	0	0	112.6	F466 D467 L472	F466-Y470 PolarHBondContact O-N 2.77Å; F466-Y470 VanDerWaalsContact O-N 3.13Å; D467-Y470 CarbonylContact C-O 3.55Å; D467-Y470 VanDerWaalsContact CA-O 3.25Å; D467-Y470 WeakPolarHBondContact CA-O 3.38Å; D467-Y470 PolarHBondContact O-N 2.92Å; Y470-L472 PolarHBondContact O-N 2.8Å
471	D	88.2	Confident	93.5	Very high	112 Å²	112	63.7 Å²	63.7	60%	0.599	32%	0.321	S	S	*	.	S	Bend	trans	57.6	41.6	175.2	-160.4	33.9	0	0	0	114.2	N473	D471-N473 PolarHBondContact O-N 2.96Å; D471-N473 VanDerWaalsContact O-N 3.15Å
472	L	94.2	Very high	93.1	Very high	24 Å²	24	65.3 Å²	65.3	13%	0.126	33%	0.333	C	S	.	.			trans	-71.5	102.5	-175.9	-175.1	55.3	0	0	0	112.7	T227 D467 F468 Y470 L474 L483 V485	T227-L472 HydrophobicContact CG2-CD1 3.94Å; D467-L472 HydrophobicContact CB-CD1 4.41Å; D467-L472 WeakPolarHBondContact O-CA 3.18Å; D467-L472 VanDerWaalsContact O-CB 3.23Å; D467-L472 WeakPolarHBondContact O-CB 3.23Å; F468-L472 HydrophobicContact CD1-CD1 4.04Å; Y470-L472 PolarHBondContact O-N 2.8Å; L472-L474 HydrophobicContact CD1-CD1 4.09Å; L472-L474 HydrophobicContact CD1-CD2 4.22Å; L472-L474 HydrophobicContact CD1-CG 3.8Å; L472-L474 HydrophobicContact CD2-CD1 4.12Å; L472-L474 HydrophobicContact CD2-CG 4.42Å; L472-L474 HydrophobicContact CG-CD1 4.19Å; L472-L474 HydrophobicContact CG-CG 3.95Å; L472-L474 PolarHBondContact O-N 2.82Å; L472-L483 WeakPolarHBondContact CB-O 3.27Å; L472-L483 HydrophobicContact CD2-CD2 4.13Å; L472-L483 HydrophobicContact CD2-CG 3.99Å; L472-V485 HydrophobicContact CD2-CG2 3.91Å
473	N	95	Very high	92.8	Very high	27 Å²	27	60 Å²	60	14%	0.144	31%	0.31	C	S	.	.			trans	-93.8	91.9	175	-169.4	-21.5	0	0	0	111.8	A223 G224 E225 T227 D471 C475	A223-N473 WeakPolarHBondContact CA-O 3.45Å; G224-N473 PolarHBondContact N-O 2.93Å; E225-N473 PolarHBondContact OE2-ND2 3.07Å; T227-N473 PolarHBondContact OG1-N 3.14Å; D471-N473 PolarHBondContact O-N 2.96Å; D471-N473 VanDerWaalsContact O-N 3.15Å; N473-C475 WeakPolarHBondContact OD1-CB 3.33Å; N473-C475 PolarHBondContact OD1-N 3.03Å
474	L	95.9	Very high	92.4	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.037	32%	0.322	C	S	.	.			trans	-111.6	45.2	168.3	-55.9	-179.5	0	0	0	112.7	V219 G222 A223 T227 L325 L472 G476 L477 T478 L483	V219-L474 HydrophobicContact CG1-CD1 3.94Å; V219-L474 HydrophobicContact CG1-CD2 3.6Å; V219-L474 HydrophobicContact CG1-CG 4.46Å; G222-L474 CarbonylContact O-C 2.99Å; G222-L474 WeakPolarHBondContact O-CA 3.43Å; A223-L474 HydrophobicContact CB-CD2 3.83Å; T227-L474 HydrophobicContact CG2-CD2 4.09Å; L325-L474 HydrophobicContact CD2-CD1 4.16Å; L472-L474 HydrophobicContact CD1-CD1 4.09Å; L472-L474 HydrophobicContact CD1-CD2 4.22Å; L472-L474 HydrophobicContact CD1-CG 3.8Å; L472-L474 HydrophobicContact CD2-CD1 4.12Å; L472-L474 HydrophobicContact CD2-CG 4.42Å; L472-L474 HydrophobicContact CG-CD1 4.19Å; L472-L474 HydrophobicContact CG-CG 3.95Å; L472-L474 PolarHBondContact O-N 2.82Å; L474-G476 PolarHBondContact O-N 2.89Å; L474-L477 HydrophobicContact CB-CB 3.99Å; L474-L477 HydrophobicContact CB-CD2 4.31Å; L474-L477 HydrophobicContact CD1-CD2 3.93Å; L474-L477 WeakPolarHBondContact O-CA 3.17Å; L474-L477 WeakPolarHBondContact O-CB 3.13Å; L474-L477 PolarHBondContact O-N 3.01Å; L474-T478 PolarHBondContact O-N 3.29Å; L474-T478 VanDerWaalsContact O-N 3.16Å; L474-L483 HydrophobicContact CB-CD2 3.76Å; L474-L483 HydrophobicContact CD1-CD2 3.84Å; L474-L483 HydrophobicContact CG-CD2 4.12Å
475	C	95.3	Very high	92.3	Very high	23 Å²	23	55 Å²	55	16%	0.155	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-22.6	-179.8	71.1	0	0	0	0	114.8	C161 R271 N473 T478	C161-C475 WeakPolarHBondContact CA-SG 3.43Å; C161-C475 HydrophobicContact CB-CB 3.75Å; C161-C475 WeakPolarHBondContact CB-SG 3.33Å; C161-C475 WeakPolarHBondContact SG-CB 3.3Å; C161-C475 PolarHBondContact SG-O 3.4Å; C161-C475 CovalentContact SG-SG 2.04Å; C161-C475 PolarHBondContact SG-SG 3.08Å; R271-C475 WeakPolarHBondContact CD-O 3.41Å; R271-C475 PolarHBondContact NH1-O 2.84Å; N473-C475 WeakPolarHBondContact OD1-CB 3.33Å; N473-C475 PolarHBondContact OD1-N 3.03Å; C475-T478 CarbonylContact C-O 3.11Å; C475-T478 VanDerWaalsContact CA-O 3.28Å; C475-T478 WeakPolarHBondContact CA-O 3.49Å; C475-T478 VanDerWaalsContact O-O 3.08Å
476	G	94.8	Very high	92.2	Very high	13 Å²	13	55.9 Å²	55.9	13%	0.134	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-26.5	177	0	0	0	0	0	112.3	C161 G222 L474	C161-G476 PolarHBondContact SG-N 3.46Å; G222-G476 VanDerWaalsContact O-CA 3.29Å; G222-G476 WeakPolarHBondContact O-CA 3.32Å; G222-G476 PolarHBondContact O-N 3.16Å; L474-G476 PolarHBondContact O-N 2.89Å
477	L	96	Very high	92.1	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-46.1	175.3	177.6	68.6	0	0	0	111.7	G222 I270 R271 F274 L325 L474 L483	G222-L477 PolarHBondContact O-N 3.49Å; I270-L477 WeakPolarHBondContact CA-O 3.45Å; I270-L477 HydrophobicContact CD1-CD1 4.08Å; I270-L477 HydrophobicContact CD1-CG 4.12Å; I270-L477 HydrophobicContact CG2-CD1 3.96Å; R271-L477 PolarHBondContact N-O 2.85Å; F274-L477 HydrophobicContact CD1-CD1 3.44Å; F274-L477 VanDerWaalsContact CD1-CD1 3.44Å; F274-L477 HydrophobicContact CD2-CB 4.24Å; F274-L477 HydrophobicContact CD2-CD1 3.98Å; F274-L477 HydrophobicContact CE1-CD1 3.44Å; F274-L477 VanDerWaalsContact CE1-CD1 3.44Å; F274-L477 HydrophobicContact CE2-CB 4.45Å; F274-L477 HydrophobicContact CE2-CD1 3.96Å; F274-L477 HydrophobicContact CG-CD1 3.73Å; F274-L477 HydrophobicContact CZ-CD1 3.71Å; L325-L477 HydrophobicContact CD1-CD2 4.27Å; L325-L477 HydrophobicContact CD2-CD2 4.09Å; L474-L477 HydrophobicContact CB-CB 3.99Å; L474-L477 HydrophobicContact CB-CD2 4.31Å; L474-L477 HydrophobicContact CD1-CD2 3.93Å; L474-L477 WeakPolarHBondContact O-CA 3.17Å; L474-L477 WeakPolarHBondContact O-CB 3.13Å; L474-L477 PolarHBondContact O-N 3.01Å; L477-L483 HydrophobicContact CD2-CD2 4.39Å
478	T	95.7	Very high	92.2	Very high	3 Å²	3	51 Å²	51	2%	0.018	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-148.8	162.8	-172.2	-171.6	0	0	0	0	111.1	L268 A269 L474 C475 D480 L483	L268-T478 HydrophobicContact CD1-CG2 4.14Å; A269-T478 VanDerWaalsContact O-CB 3.31Å; A269-T478 WeakPolarHBondContact O-CB 3.43Å; A269-T478 PolarHBondContact O-OG1 3.08Å; L474-T478 PolarHBondContact O-N 3.29Å; L474-T478 VanDerWaalsContact O-N 3.16Å; C475-T478 CarbonylContact C-O 3.11Å; C475-T478 VanDerWaalsContact CA-O 3.28Å; C475-T478 WeakPolarHBondContact CA-O 3.49Å; C475-T478 VanDerWaalsContact O-O 3.08Å; T478-D480 HydrophobicContact CG2-CB 4.08Å; T478-D480 WeakPolarHBondContact OG1-CB 3.4Å; T478-D480 PolarHBondContact OG1-N 3.18Å; T478-L483 HydrophobicContact CG2-CD2 3.81Å
479	E	93.9	Very high	92.4	Very high	148 Å²	148	52.2 Å²	52.2	69%	0.692	28%	0.279	S	S	*	.	S	Bend	trans	-102.8	3	171.3	-63.8	176.6	-171.6	0	0	111.7	R271	R271-E479 HydrophobicContact CG-CG 4.42Å; R271-E479 IonicContact CZ-OE1 2.75Å; R271-E479 IonicContact NE-OE1 2.64Å; R271-E479 PolarHBondContact NE-OE1 2.98Å; R271-E479 IonicContact NH2-OE1 3.25Å; R271-E479 PolarHBondContact NH2-OE1 3.46Å
480	D	92.5	Very high	92.9	Very high	43 Å²	43	48.9 Å²	48.9	23%	0.23	26%	0.256	C	S	.	.			trans	-70.1	123.6	174.7	-167.5	-62	0	0	0	110.9	L268 R324 T478 D482	L268-D480 HydrophobicContact CD1-CB 3.54Å; R324-D480 IonicContact CZ-OD1 2.7Å; R324-D480 IonicContact CZ-OD2 3.76Å; R324-D480 VanDerWaalsContact NH1-CG 3.34Å; R324-D480 IonicContact NH1-OD1 2.87Å; R324-D480 PolarHBondContact NH1-OD1 2.87Å; R324-D480 IonicContact NH1-OD2 2.85Å; R324-D480 PolarHBondContact NH1-OD2 3.3Å; R324-D480 IonicContact NH2-OD1 3.13Å; R324-D480 IonicContact NH2-OD2 3.73Å; R324-D480 PolarHBondContact NH2-OD2 3.37Å; T478-D480 HydrophobicContact CG2-CB 4.08Å; T478-D480 WeakPolarHBondContact OG1-CB 3.4Å; T478-D480 PolarHBondContact OG1-N 3.18Å; D480-D482 PolarHBondContact OD1-N 2.79Å
481	P	86.3	Confident	93.4	Very high	133 Å²	133	41 Å²	41	86%	0.864	23%	0.225	S	C	*	.	S	Bend	trans	-84.1	-10.3	-177	34.6	-36.6	0	0	0	114.2
482	D	87.5	Confident	93.7	Very high	124 Å²	124	35.6 Å²	35.6	66%	0.663	20%	0.197	S	C	*	.	S	Bend	trans	-106.3	43.9	-174	-168.3	30.8	0	0	0	111.1	R324 D480	R324-D482 PolarHBondContact NH1-O 3.39Å; D480-D482 PolarHBondContact OD1-N 2.79Å
483	L	90.8	Very high	93.6	Very high	15 Å²	15	35 Å²	35	8%	0.079	19%	0.194	C	C	.	.			trans	-89.9	129.5	-173.8	-170.5	67.6	0	0	0	112	L268 L325 L472 L474 L477 T478	L268-L483 HydrophobicContact CD1-CD1 3.85Å; L268-L483 HydrophobicContact CD2-CD1 3.5Å; L268-L483 VanDerWaalsContact CD2-CD1 3.5Å; L268-L483 HydrophobicContact CG-CD1 4.35Å; L325-L483 HydrophobicContact CB-CD1 4.28Å; L325-L483 HydrophobicContact CD2-CD1 4.1Å; L325-L483 HydrophobicContact CD2-CD2 4.22Å; L325-L483 HydrophobicContact CD2-CG 4.34Å; L472-L483 WeakPolarHBondContact CB-O 3.27Å; L472-L483 HydrophobicContact CD2-CD2 4.13Å; L472-L483 HydrophobicContact CD2-CG 3.99Å; L474-L483 HydrophobicContact CB-CD2 3.76Å; L474-L483 HydrophobicContact CD1-CD2 3.84Å; L474-L483 HydrophobicContact CG-CD2 4.12Å; L477-L483 HydrophobicContact CD2-CD2 4.39Å; T478-L483 HydrophobicContact CG2-CD2 3.81Å
484	Q	87.1	Confident	93.4	Very high	88 Å²	88	33.8 Å²	33.8	41%	0.411	19%	0.188	S	C	.	.			trans	-135.1	152	168.8	60	177	13.3	0	0	110.4	S486	Q484-S486 PolarHBondContact O-N 3.44Å
485	V	94.4	Very high	93.2	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.042	19%	0.191	C	C	.	.			trans	-85.7	105.8	171.3	178.5	0	0	0	0	108.7	L325 L327 L457 F468 L472 A487 M488	L325-V485 HydrophobicContact CD2-CG2 4.02Å; L327-V485 HydrophobicContact CD1-CG1 3.83Å; L327-V485 HydrophobicContact CD1-CG2 3.9Å; L327-V485 HydrophobicContact CG-CG1 3.94Å; L327-V485 HydrophobicContact CG-CG2 4.47Å; L457-V485 HydrophobicContact CD2-CB 4.37Å; L457-V485 HydrophobicContact CD2-CG1 3.97Å; F468-V485 HydrophobicContact CB-CB 4.03Å; F468-V485 HydrophobicContact CB-CG2 4.12Å; F468-V485 HydrophobicContact CD1-CB 4.32Å; F468-V485 HydrophobicContact CD1-CG2 3.52Å; F468-V485 HydrophobicContact CE1-CG2 4.11Å; F468-V485 HydrophobicContact CG-CB 4.17Å; F468-V485 HydrophobicContact CG-CG2 3.87Å; F468-V485 PolarHBondContact O-N 3.43Å; L472-V485 HydrophobicContact CD2-CG2 3.91Å; V485-A487 VanDerWaalsContact C-N 3.32Å; V485-A487 WeakPolarHBondContact CG1-O 3.01Å; V485-A487 PolarHBondContact O-N 3.46Å; V485-M488 HydrophobicContact CG1-CB 4.39Å
486	S	93.8	Very high	93	Very high	21 Å²	21	33.4 Å²	33.4	15%	0.147	18%	0.184	C	C	.	.			trans	-68.5	-29	-178.3	-50.4	0	0	0	0	113.4	T323 R324 L325 Q484	T323-S486 WeakPolarHBondContact CA-OG 3.29Å; R324-S486 PolarHBondContact N-OG 3.4Å; L325-S486 PolarHBondContact O-N 3.4Å; Q484-S486 PolarHBondContact O-N 3.44Å
487	A	93.4	Very high	92.7	Very high	15 Å²	15	34.4 Å²	34.4	12%	0.124	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	142.9	172.6	0	0	0	0	0	112	V326 L327 V485	V326-A487 WeakPolarHBondContact CA-O 3.38Å; V326-A487 HydrophobicContact CG1-CB 4.16Å; L327-A487 PolarHBondContact N-O 2.89Å; V485-A487 VanDerWaalsContact C-N 3.32Å; V485-A487 WeakPolarHBondContact CG1-O 3.01Å; V485-A487 PolarHBondContact O-N 3.46Å
488	M	95.7	Very high	92.4	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	114.4	167.8	-174.2	-170.6	173.5	0	0	109.7	I212 L215 L216 L327 M456 L457 M460 F468 V485	I212-M488 HydrophobicContact CG2-CE 4.4Å; L215-M488 HydrophobicContact CD2-CE 3.99Å; L215-M488 HydrophobicContact CG-CE 4.5Å; L216-M488 HydrophobicContact CD2-CE 3.65Å; L216-M488 HydrophobicContact CD2-SD 4.13Å; L216-M488 HydrophobicContact CG-CE 3.96Å; L327-M488 HydrophobicContact CB-CB 4.12Å; L327-M488 HydrophobicContact CB-CG 3.8Å; L327-M488 HydrophobicContact CD1-CG 4.45Å; L327-M488 CarbonylContact O-C 3.57Å; L327-M488 VanDerWaalsContact O-CA 3.25Å; L327-M488 WeakPolarHBondContact O-CA 3.23Å; M456-M488 HydrophobicContact CB-CB 4.07Å; M456-M488 HydrophobicContact CB-CE 3.92Å; M456-M488 HydrophobicContact CB-CG 3.64Å; M456-M488 WeakPolarHBondContact CB-O 3.45Å; M456-M488 HydrophobicContact CB-SD 3.52Å; M456-M488 VanDerWaalsContact CB-SD 3.52Å; M456-M488 HydrophobicContact CG-CE 4.21Å; M456-M488 HydrophobicContact CG-CG 4.38Å; M456-M488 HydrophobicContact CG-SD 4.42Å; M456-M488 PolarHBondContact N-O 3.41Å; L457-M488 HydrophobicContact CD2-CB 3.74Å; L457-M488 HydrophobicContact CG-CB 4.05Å; M460-M488 HydrophobicContact CG-SD 4.36Å; F468-M488 HydrophobicContact CD2-SD 4.44Å; F468-M488 HydrophobicContact CE2-SD 3.71Å; F468-M488 HydrophobicContact CZ-SD 4.48Å; V485-M488 HydrophobicContact CG1-CB 4.39Å
489	Q	96.8	Very high	91.8	Very high	30 Å²	30	37.2 Å²	37.2	14%	0.14	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.9	-175.2	-158.3	73.3	15.6	0	0	112.3	L315 L316 L327 L328 N329 N453 Q454	L315-Q489 HydrophobicContact CD1-CB 4.22Å; L315-Q489 HydrophobicContact CD1-CG 3.66Å; L315-Q489 HydrophobicContact CG-CB 4.24Å; L315-Q489 HydrophobicContact CG-CG 3.97Å; L316-Q489 HydrophobicContact CD2-CB 3.72Å; L316-Q489 HydrophobicContact CD2-CG 3.83Å; L327-Q489 PolarHBondContact O-N 2.95Å; L328-Q489 HydrophobicContact CD2-CB 3.77Å; N329-Q489 PolarHBondContact N-O 2.04Å; N453-Q489 WeakPolarHBondContact OD1-CG 3.46Å; N453-Q489 PolarHBondContact OD1-NE2 3.1Å; Q454-Q489 VanDerWaalsContact C-NE2 3.32Å; Q454-Q489 PolarHBondContact O-NE2 3.21Å
490	H	97.3	Very high	90.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.7	168.7	178.5	64	0	0	0	111.5	F207 S208 I212 N329 N453 Q454 M456	F207-H490 WeakPolarHBondContact CA-NE2 3.24Å; S208-H490 PolarHBondContact N-NE2 3.33Å; S208-H490 VanDerWaalsContact N-NE2 3.16Å; I212-H490 HydrophobicContact CG1-CB 4.3Å; N329-H490 WeakPolarHBondContact O-CA 3.4Å; N329-H490 PolarHBondContact OD1-CE1 3.32Å; N329-H490 VanDerWaalsContact OD1-CE1 3.29Å; N329-H490 PolarHBondContact OD1-ND1 3.12Å; N453-H490 PolarHBondContact OD1-O 3.14Å; Q454-H490 PolarHBondContact N-O 3.06Å; Q454-H490 PolarHBondContact O-N 2.89Å; M456-H490 HydrophobicContact CG-CB 3.51Å; M456-H490 HydrophobicContact SD-CB 3.7Å
491	Q	96.4	Very high	89.4	Confident	19 Å²	19	33.3 Å²	33.3	9%	0.089	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.7	167.5	-170	170.4	8.5	0	0	112.6	I312 R314 L315 N329 A330 I331 T452 N453	I312-Q491 HydrophobicContact CD1-CB 4.3Å; I312-Q491 HydrophobicContact CD1-CG 4.12Å; I312-Q491 HydrophobicContact CG1-CG 4.38Å; I312-Q491 HydrophobicContact CG2-CG 4.29Å; R314-Q491 PolarHBondContact O-OE1 3.29Å; R314-Q491 VanDerWaalsContact O-OE1 3.08Å; L315-Q491 HydrophobicContact CD1-CB 3.36Å; L315-Q491 HydrophobicContact CD1-CG 4.48Å; N329-Q491 PolarHBondContact O-N 2.89Å; A330-Q491 WeakPolarHBondContact CA-O 3.37Å; I331-Q491 PolarHBondContact N-O 3.24Å; T452-Q491 VanDerWaalsContact O-CA 3.29Å; T452-Q491 WeakPolarHBondContact O-CA 3.39Å; T452-Q491 WeakPolarHBondContact O-CG 3.48Å; N453-Q491 HydrophobicContact CB-CG 4.15Å
492	A	94.4	Very high	88.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.5	177.7	0	0	0	0	0	110.4	I331 T451 T452 F538	I331-A492 HydrophobicContact CG2-CB 4Å; I331-A492 WeakPolarHBondContact O-CA 3.46Å; T451-A492 WeakPolarHBondContact CA-O 3.31Å; T452-A492 PolarHBondContact N-O 2.8Å; T452-A492 PolarHBondContact O-N 3.35Å; A492-F538 HydrophobicContact CB-CE1 4.04Å
493	V	92.6	Very high	86.5	Confident	12 Å²	12	29.8 Å²	29.8	7%	0.073	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116	169.9	177.2	0	0	0	0	108.6	I312 I331 Y332 L333 T451	I312-V493 HydrophobicContact CD1-CG2 4.09Å; I312-V493 HydrophobicContact CG1-CG2 3.67Å; I331-V493 PolarHBondContact O-N 2.04Å; Y332-V493 CarbonylContact C-O 3.54Å; Y332-V493 WeakPolarHBondContact CA-O 3.34Å; L333-V493 PolarHBondContact N-O 3.34Å; T451-V493 HydrophobicContact CG2-CG2 3.94Å
494	L	91.9	Very high	84.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124	173.4	-174.3	145.6	0	0	0	109.7	L333 I448 K449 V450 L496 F526 F538	L333-L494 CarbonylContact O-C 3.39Å; L333-L494 WeakPolarHBondContact O-CA 3.5Å; I448-L494 HydrophobicContact CB-CD2 4.31Å; I448-L494 HydrophobicContact CG2-CD2 3.61Å; K449-L494 CarbonylContact C-O 3.52Å; K449-L494 WeakPolarHBondContact CA-O 3.33Å; V450-L494 PolarHBondContact N-O 3.1Å; V450-L494 PolarHBondContact O-N 3.31Å; L494-L496 HydrophobicContact CD2-CD1 4.11Å; L494-L496 HydrophobicContact CD2-CG 4.14Å; L494-F526 HydrophobicContact CD1-CE2 3.96Å; L494-F526 HydrophobicContact CD2-CE2 4.41Å; L494-F538 HydrophobicContact CB-CD1 4.43Å; L494-F538 HydrophobicContact CB-CE1 4.32Å; L494-F538 HydrophobicContact CD1-CB 4.04Å; L494-F538 HydrophobicContact CD1-CD1 4Å; L494-F538 HydrophobicContact CD1-CD2 4.35Å; L494-F538 HydrophobicContact CD1-CE1 4.48Å; L494-F538 HydrophobicContact CD1-CG 3.91Å
495	E	90.9	Very high	82.5	Confident	23 Å²	23	31.4 Å²	31.4	11%	0.107	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	111.4	-179.8	180	178.3	-118.3	0	0	109.9	L333 S334 I448 K449 T497	L333-E495 PolarHBondContact O-N 3.33Å; S334-E495 PolarHBondContact OG-OE2 2.76Å; I448-E495 CarbonylContact O-C 3.47Å; I448-E495 VanDerWaalsContact O-CA 3.29Å; I448-E495 WeakPolarHBondContact O-CA 3.31Å; K449-E495 WeakPolarHBondContact CE-OE1 3.29Å; K449-E495 IonicContact NZ-OE1 2.71Å; K449-E495 PolarHBondContact NZ-OE1 3.38Å; E495-T497 HydrophobicContact CG-CG2 4.21Å
496	L	90	Very high	79.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.1	175.2	-66.6	170.8	0	0	0	109.7	L333 E335 W346 L396 L402 I448 L494	L333-L496 HydrophobicContact CD2-CD2 3.58Å; L333-L496 HydrophobicContact CD2-CG 4.26Å; E335-L496 VanDerWaalsContact OE1-CA 3.31Å; E335-L496 WeakPolarHBondContact OE1-CA 3.42Å; W346-L496 HydrophobicContact CH2-CD1 3.98Å; W346-L496 HydrophobicContact CZ2-CB 3.92Å; W346-L496 HydrophobicContact CZ2-CD1 3.93Å; W346-L496 HydrophobicContact CZ2-CD2 4.38Å; W346-L496 HydrophobicContact CZ2-CG 4.31Å; L396-L496 HydrophobicContact CD2-CD2 4.06Å; L402-L496 HydrophobicContact CD1-CD1 4.11Å; L402-L496 HydrophobicContact CD2-CD1 4Å; I448-L496 HydrophobicContact CB-CB 4.38Å; I448-L496 PolarHBondContact N-O 2.98Å; I448-L496 VanDerWaalsContact N-O 3.12Å; I448-L496 PolarHBondContact O-N 2.89Å; L494-L496 HydrophobicContact CD2-CD1 4.11Å; L494-L496 HydrophobicContact CD2-CG 4.14Å
497	T	89.6	Confident	77.3	Confident	33 Å²	33	39.3 Å²	39.3	20%	0.202	27%	0.27	C	S	.	.			trans	-121.6	-156.1	179.9	77.5	0	0	0	0	108.9	E335 W346 E495 T499	E335-T497 PolarHBondContact OE1-N 3.15Å; E335-T497 WeakPolarHBondContact OE2-CA 3.47Å; E335-T497 WeakPolarHBondContact OE2-CB 3.41Å; E335-T497 PolarHBondContact OE2-N 3.34Å; E335-T497 VanDerWaalsContact OE2-N 3.08Å; E335-T497 PolarHBondContact OE2-OG1 3.25Å; W346-T497 VanDerWaalsContact CD1-O 3.31Å; W346-T497 PolarHBondContact NE1-O 3.44Å; E495-T497 HydrophobicContact CG-CG2 4.21Å; T497-T499 PolarHBondContact O-N 3.4Å; T497-T499 PolarHBondContact OG1-OG1 3.41Å
498	E	89.5	Confident	74.6	Confident	12 Å²	12	42.7 Å²	42.7	6%	0.056	30%	0.298	C	S	.	.	S	Bend	trans	-73.9	-10.4	-178.6	-69.3	84.7	171.9	0	0	114.6	T349 F350 P352 T355 M372 R447 G500	T349-E498 WeakPolarHBondContact CG2-O 3.45Å; F350-E498 HydrophobicContact CB-CB 3.84Å; F350-E498 HydrophobicContact CB-CG 3.84Å; F350-E498 PolarHBondContact N-O 3.12Å; P352-E498 HydrophobicContact CB-CG 4.35Å; P352-E498 HydrophobicContact CG-CB 4Å; P352-E498 HydrophobicContact CG-CG 4.24Å; T355-E498 VanDerWaalsContact CB-OE1 3.26Å; T355-E498 WeakPolarHBondContact CB-OE1 3.32Å; T355-E498 VanDerWaalsContact CG2-OE1 3.28Å; T355-E498 WeakPolarHBondContact CG2-OE1 3Å; T355-E498 PolarHBondContact OG1-OE1 2.67Å; M372-E498 HydrophobicContact CG-CG 4.03Å; M372-E498 HydrophobicContact SD-CG 3.95Å; R447-E498 IonicContact CZ-OE1 2.66Å; R447-E498 VanDerWaalsContact CZ-OE1 3.25Å; R447-E498 IonicContact CZ-OE2 2.81Å; R447-E498 IonicContact NE-OE1 2.83Å; R447-E498 PolarHBondContact NE-OE1 3.18Å; R447-E498 IonicContact NE-OE2 3.24Å; R447-E498 PolarHBondContact NE-OE2 3.4Å; R447-E498 VanDerWaalsContact NE-OE2 3.07Å; R447-E498 VanDerWaalsContact NH2-CD 3.26Å; R447-E498 IonicContact NH2-OE1 3.35Å; R447-E498 PolarHBondContact NH2-OE1 3.16Å; R447-E498 IonicContact NH2-OE2 2.74Å; R447-E498 PolarHBondContact NH2-OE2 2.9Å; E498-G500 PolarHBondContact O-N 3.22Å
499	T	82.2	Confident	71.9	Confident	55 Å²	55	50.2 Å²	50.2	34%	0.337	34%	0.337	S	S	.	.			trans	-74.9	120.3	-162.4	-46.8	0	0	0	0	112.5	E335 K345 W346 T497	E335-T499 WeakPolarHBondContact OE2-CB 3.49Å; E335-T499 PolarHBondContact OE2-N 3.48Å; E335-T499 VanDerWaalsContact OE2-N 3.16Å; E335-T499 PolarHBondContact OE2-OG1 2.87Å; K345-T499 HydrophobicContact CD-CG2 4.2Å; W346-T499 VanDerWaalsContact CD1-O 3.32Å; W346-T499 PolarHBondContact N-O 3.05Å; T497-T499 PolarHBondContact O-N 3.4Å; T497-T499 PolarHBondContact OG1-OG1 3.41Å
500	G	74.6	Confident	69.5	Low	16 Å²	16	53.5 Å²	53.5	17%	0.165	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	-176.7	174.6	0	0	0	0	0	114.1	W346 T349 E498	W346-G500 CarbonylContact O-C 3.59Å; W346-G500 WeakPolarHBondContact O-CA 3.38Å; T349-G500 WeakPolarHBondContact OG1-CA 3.03Å; T349-G500 PolarHBondContact OG1-N 3.38Å; T349-G500 PolarHBondContact OG1-O 3.13Å; E498-G500 PolarHBondContact O-N 3.22Å
501	V	61.3	Low	67.2	Low	93 Å²	93	59.7 Å²	59.7	56%	0.564	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	-49.7	178.1	-178.2	0	0	0	0	111.3	K345 W346	K345-V501 HydrophobicContact CB-CG2 4.21Å; W346-V501 PolarHBondContact O-N 2.64Å
502	E	60.9	Low	65.4	Low	95 Å²	95	62.2 Å²	62.2	44%	0.444	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.1	-177.7	-55.8	167.5	-174.7	0	0	109.5	K347 T348 T349 A504	K347-E502 VanDerWaalsContact CE-CD 3.49Å; K347-E502 WeakPolarHBondContact CE-OE1 3.3Å; K347-E502 WeakPolarHBondContact CE-OE2 3.4Å; K347-E502 IonicContact NZ-OE1 3.64Å; K347-E502 WeakPolarHBondContact O-CA 3.28Å; K347-E502 WeakPolarHBondContact O-CB 3.29Å; K347-E502 WeakPolarHBondContact O-CG 3.42Å; K347-E502 PolarHBondContact O-N 3.07Å; T348-E502 CarbonylContact C-O 3.59Å; T348-E502 WeakPolarHBondContact CA-O 3.21Å; T349-E502 PolarHBondContact N-O 3.28Å; T349-E502 PolarHBondContact OG1-O 3.45Å; E502-A504 PolarHBondContact O-N 3.29Å
503	A	52	Low	63.7	Low	88 Å²	88	74.6 Å²	74.6	73%	0.727	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	135	170.6	0	0	0	0	0	109.9	A505	A503-A505 PolarHBondContact O-N 2.79Å
504	A	56.9	Low	62.6	Low	56 Å²	56	77.8 Å²	77.8	46%	0.463	50%	0.499	S	S	.	.			trans	-60.1	98.8	175.4	0	0	0	0	0	110.2	T348 E502 A506	T348-A504 HydrophobicContact CG2-CB 3.8Å; E502-A504 PolarHBondContact O-N 3.29Å; A504-A506 PolarHBondContact O-N 3.31Å
505	A	37.4	Very low	62.2	Low	81 Å²	81	82.6 Å²	82.6	67%	0.669	52%	0.524	S	S	*	.			trans	-56.1	137	-175.8	0	0	0	0	0	110.6	A503 S507	A503-A505 PolarHBondContact O-N 2.79Å; A505-S507 PolarHBondContact O-N 3.5Å
506	A	37.6	Very low	62.3	Low	110 Å²	110	84.2 Å²	84.2	91%	0.909	53%	0.533	S	S	*	.			trans	-73.3	68.9	-178.7	0	0	0	0	0	111.4	A504 A508	A504-A506 PolarHBondContact O-N 3.31Å; A506-A508 PolarHBondContact O-N 3.31Å
507	S	41.8	Very low	62.6	Low	84 Å²	84	88.1 Å²	88.1	59%	0.587	55%	0.553	S	S	*	*			trans	-67.1	126.3	-179.9	-52.2	0	0	0	0	110.9	K376 A505	K376-S507 PolarHBondContact NZ-O 3.37Å; A505-S507 PolarHBondContact O-N 3.5Å
508	A	37.2	Very low	63	Low	86 Å²	86	86.6 Å²	86.6	71%	0.711	54%	0.544	S	S	*	.			trans	-46.3	159.3	-179.7	0	0	0	0	0	114.3	K376 A506 S510	K376-A508 PolarHBondContact NZ-O 2.97Å; A506-A508 PolarHBondContact O-N 3.31Å; A508-S510 VanDerWaalsContact C-N 3.28Å; A508-S510 PolarHBondContact O-N 2.86Å
509	I	38	Very low	63.3	Low	161 Å²	161	89 Å²	89	83%	0.826	56%	0.555	S	S	*	*			trans	-71.3	83.1	-178.4	-54	173.1	0	0	0	109.4
510	S	47	Very low	64.1	Low	98 Å²	98	86.3 Å²	86.3	69%	0.685	54%	0.539	S	S	*	.			trans	-73.9	125.2	163.4	-173.3	0	0	0	0	109.1	A508 A512	A508-S510 VanDerWaalsContact C-N 3.28Å; A508-S510 PolarHBondContact O-N 2.86Å; S510-A512 VanDerWaalsContact C-N 3.3Å; S510-A512 PolarHBondContact O-N 3.47Å
511	V	50	Low	65.2	Low	131 Å²	131	87.9 Å²	87.9	79%	0.794	54%	0.542	S	S	*	.			trans	-80.4	78.2	179.7	-175.9	0	0	0	0	108.9
512	A	57.3	Low	66.8	Low	72 Å²	72	84.2 Å²	84.2	60%	0.595	52%	0.518	S	S	*	.			trans	-73.3	123.9	172.4	0	0	0	0	0	110	S510 A514	S510-A512 VanDerWaalsContact C-N 3.3Å; S510-A512 PolarHBondContact O-N 3.47Å; A512-A514 PolarHBondContact O-N 3.34Å
513	R	60	Low	68.6	Low	260 Å²	260	80.6 Å²	80.6	98%	0.981	50%	0.503	S	S	*	.	S	Bend	trans	-68.1	-14.5	178.7	-86.7	-174.7	173.3	-179.1	-1.8	114.5
514	A	69.1	Low	70.8	Confident	79 Å²	79	76.4 Å²	76.4	65%	0.653	47%	0.468	S	S	*	.	S	Bend	trans	-138.6	128.2	172.5	0	0	0	0	0	108.8	A512	A512-A514 PolarHBondContact O-N 3.34Å
515	L	82.4	Confident	72.8	Confident	102 Å²	102	73.7 Å²	73.7	53%	0.534	45%	0.446	S	S	.	.			trans	-90.8	122.6	172.9	-178.2	62.7	0	0	0	108	L442 I517	L442-L515 HydrophobicContact CB-CD1 4.36Å; L442-L515 HydrophobicContact CB-CD2 4.01Å; L442-L515 HydrophobicContact CB-CG 4.12Å; L442-L515 HydrophobicContact CD2-CD2 4.07Å; L515-I517 HydrophobicContact CG-CG1 4.48Å
516	L	93.9	Very high	75.7	Confident	56 Å²	56	69.9 Å²	69.9	29%	0.293	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	140.8	169.7	-64.3	178.1	0	0	0	109.2	Q439 T441 L442	Q439-L516 HydrophobicContact CB-CD1 3.64Å; Q439-L516 HydrophobicContact CG-CD1 4.4Å; T441-L516 HydrophobicContact CG2-CB 4.19Å; L442-L516 PolarHBondContact N-O 2.7Å
517	I	95.6	Very high	78.5	Confident	83 Å²	83	64.6 Å²	64.6	43%	0.426	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.4	-176.7	-55.5	-179.4	0	0	0	109.1	L442 L515 E519	L442-I517 HydrophobicContact CB-CG1 4.26Å; L442-I517 HydrophobicContact CD2-CD1 4.35Å; L442-I517 HydrophobicContact CD2-CG1 4.18Å; L442-I517 HydrophobicContact CD2-CG2 4.38Å; L442-I517 WeakPolarHBondContact O-CA 3.48Å; L515-I517 HydrophobicContact CG-CG1 4.48Å; I517-E519 HydrophobicContact CG2-CG 3.63Å
518	F	97.6	Very high	81.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	101.7	171.4	-168.4	-88.7	0	0	0	109.4	V379 H381 K390 G392 I404 V406 T441 L442 L443 V444 V520	V379-F518 HydrophobicContact CG1-CG 4.46Å; H381-F518 HydrophobicContact CB-CD2 3.82Å; H381-F518 HydrophobicContact CB-CE2 4.19Å; K390-F518 HydrophobicContact CB-CD2 4.48Å; K390-F518 HydrophobicContact CB-CE2 3.87Å; G392-F518 VanDerWaalsContact CA-CE2 3.48Å; I404-F518 HydrophobicContact CB-CE1 4.32Å; I404-F518 HydrophobicContact CB-CZ 4.26Å; I404-F518 HydrophobicContact CG2-CE1 4.34Å; I404-F518 HydrophobicContact CG2-CZ 4.31Å; V406-F518 HydrophobicContact CG1-CZ 4.29Å; T441-F518 HydrophobicContact CG2-CB 3.69Å; L442-F518 PolarHBondContact O-N 2.82Å; L443-F518 WeakPolarHBondContact CA-O 3.38Å; L443-F518 HydrophobicContact CD1-CB 4.44Å; L443-F518 HydrophobicContact CD1-CD1 3.81Å; L443-F518 WeakPolarHBondContact CD1-O 3.41Å; V444-F518 PolarHBondContact N-O 3.14Å; F518-V520 HydrophobicContact CD1-CG2 3.98Å; F518-V520 HydrophobicContact CE1-CG2 3.53Å; F518-V520 HydrophobicContact CZ-CG2 4.48Å
519	E	97.3	Very high	84	Confident	62 Å²	62	57.5 Å²	57.5	29%	0.29	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.5	-176.2	-67.9	169.9	139.4	0	0	110.7	K390 V444 I517 Q521	K390-E519 PolarHBondContact NZ-O 2.9Å; V444-E519 HydrophobicContact CB-CB 4.46Å; V444-E519 HydrophobicContact CB-CG 4.01Å; V444-E519 HydrophobicContact CG2-CG 3.91Å; I517-E519 HydrophobicContact CG2-CG 3.63Å; E519-Q521 HydrophobicContact CB-CG 4.37Å
520	V	98.1	Very high	86.7	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.			trans	-112.3	69.7	-178.3	-170.6	0	0	0	0	109.2	M371 I404 V444 L445 P446 F518 F524	M371-V520 WeakPolarHBondContact CE-O 3.41Å; I404-V520 HydrophobicContact CD1-CG2 4.26Å; I404-V520 HydrophobicContact CG2-CG1 4.27Å; I404-V520 HydrophobicContact CG2-CG2 4.13Å; V444-V520 PolarHBondContact O-N 3.32Å; L445-V520 HydrophobicContact CD1-CB 4.03Å; L445-V520 HydrophobicContact CD1-CG1 4.29Å; L445-V520 HydrophobicContact CD1-CG2 3.77Å; P446-V520 WeakPolarHBondContact CD-O 3.24Å; F518-V520 HydrophobicContact CD1-CG2 3.98Å; F518-V520 HydrophobicContact CE1-CG2 3.53Å; F518-V520 HydrophobicContact CZ-CG2 4.48Å; V520-F524 HydrophobicContact CG1-CB 4.1Å; V520-F524 HydrophobicContact CG1-CD1 3.26Å; V520-F524 HydrophobicContact CG1-CD2 4.21Å; V520-F524 HydrophobicContact CG1-CE1 3.57Å; V520-F524 HydrophobicContact CG1-CE2 4.46Å; V520-F524 HydrophobicContact CG1-CG 3.6Å; V520-F524 HydrophobicContact CG1-CZ 4.16Å
521	Q	96.9	Very high	89	Confident	49 Å²	49	48.2 Å²	48.2	23%	0.229	26%	0.255	C	S	.	.			trans	-107.1	17	-173.8	-67.3	177.1	-26.8	0	0	113.7	T359 F360 H361 M371 E519	T359-Q521 WeakPolarHBondContact O-CG 3.44Å; F360-Q521 CarbonylContact C-O 3.55Å; F360-Q521 WeakPolarHBondContact CA-O 3.44Å; H361-Q521 PolarHBondContact CD2-O 2.89Å; H361-Q521 PolarHBondContact N-O 3.16Å; M371-Q521 HydrophobicContact CE-CG 4.04Å; E519-Q521 HydrophobicContact CB-CG 4.37Å
522	Q	96.8	Very high	91	Very high	15 Å²	15	47.7 Å²	47.7	7%	0.07	24%	0.244	C	C	.	.	S	Bend	trans	-152.4	169.7	-179.6	65.5	-177.2	92.4	0	0	108.9	F360 H361 V406 N409 L410 F524	F360-Q522 WeakPolarHBondContact CE2-O 3.42Å; F360-Q522 WeakPolarHBondContact CZ-O 3.04Å; H361-Q522 HydrophobicContact CB-CB 4.3Å; V406-Q522 HydrophobicContact CG2-CG 3.44Å; V406-Q522 VanDerWaalsContact CG2-CG 3.44Å; N409-Q522 PolarHBondContact O-NE2 2.89Å; L410-Q522 HydrophobicContact CD2-CB 3.86Å; L410-Q522 HydrophobicContact CD2-CG 4.43Å; Q522-F524 PolarHBondContact O-N 2.87Å
523	P	97.8	Very high	92.7	Very high	19 Å²	19	45.4 Å²	45.4	12%	0.123	22%	0.222	C	C	.	.			trans	-54.8	138.7	-176.6	-28.3	38.3	0	0	0	112.7	H361 P407 L414 V542 Y543	H361-P523 WeakPolarHBondContact O-CD 3.47Å; P407-P523 WeakPolarHBondContact CD-O 3.41Å; L414-P523 HydrophobicContact CB-CB 4.11Å; L414-P523 HydrophobicContact CD2-CB 4.09Å; P523-V542 VanDerWaalsContact CA-O 3.25Å; P523-V542 WeakPolarHBondContact CA-O 3.43Å; P523-Y543 HydrophobicContact CB-CD1 3.56Å; P523-Y543 HydrophobicContact CB-CE1 3.86Å; P523-Y543 HydrophobicContact CB-CG 4.11Å; P523-Y543 HydrophobicContact CG-CD1 3.65Å; P523-Y543 HydrophobicContact CG-CE1 4.17Å; P523-Y543 HydrophobicContact CG-CG 4.42Å
524	F	98.2	Very high	94.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.1	-173	65	-87	0	0	0	112.1	F360 I404 L405 V406 P446 I448 V520 Q522 F526 R541 V542	F360-F524 HydrophobicContact CE2-CD1 4.4Å; F360-F524 HydrophobicContact CE2-CE1 4.35Å; I404-F524 HydrophobicContact CG2-CB 4.1Å; I404-F524 HydrophobicContact CG2-CD2 3.83Å; I404-F524 HydrophobicContact CG2-CG 4.19Å; L405-F524 WeakPolarHBondContact O-CA 3.36Å; V406-F524 HydrophobicContact CB-CB 3.87Å; V406-F524 HydrophobicContact CG2-CB 4.08Å; P446-F524 HydrophobicContact CG-CE1 3.85Å; P446-F524 HydrophobicContact CG-CZ 4.17Å; I448-F524 HydrophobicContact CD1-CE2 3.97Å; I448-F524 HydrophobicContact CD1-CZ 4.01Å; I448-F524 HydrophobicContact CG1-CZ 4.19Å; V520-F524 HydrophobicContact CG1-CB 4.1Å; V520-F524 HydrophobicContact CG1-CD1 3.26Å; V520-F524 HydrophobicContact CG1-CD2 4.21Å; V520-F524 HydrophobicContact CG1-CE1 3.57Å; V520-F524 HydrophobicContact CG1-CE2 4.46Å; V520-F524 HydrophobicContact CG1-CG 3.6Å; V520-F524 HydrophobicContact CG1-CZ 4.16Å; Q522-F524 PolarHBondContact O-N 2.87Å; F524-F526 HydrophobicContact CD2-CB 4.25Å; F524-F526 HydrophobicContact CD2-CD1 4.45Å; F524-F526 HydrophobicContact CE2-CB 4.18Å; F524-F526 HydrophobicContact CE2-CD1 4.04Å; F524-R541 CarbonylContact O-C 3.58Å; F524-R541 VanDerWaalsContact O-CA 3.27Å; F524-R541 WeakPolarHBondContact O-CA 3.38Å; F524-V542 HydrophobicContact CD1-CB 4.19Å; F524-V542 HydrophobicContact CE1-CB 3.64Å; F524-V542 HydrophobicContact CE1-CG1 4.08Å; F524-V542 HydrophobicContact CE1-CG2 4.16Å; F524-V542 HydrophobicContact CE2-CB 4.23Å; F524-V542 HydrophobicContact CE2-CG2 4Å; F524-V542 HydrophobicContact CZ-CB 3.67Å; F524-V542 HydrophobicContact CZ-CG1 4.32Å; F524-V542 HydrophobicContact CZ-CG2 3.64Å; F524-V542 PolarHBondContact N-O 2.98Å; F524-V542 VanDerWaalsContact N-O 3.09Å; F524-V542 PolarHBondContact O-N 3.17Å
525	L	98.3	Very high	95.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	140.9	167.2	-175.5	162	0	0	0	107.7	Y192 L405 L414 L421 L527 M539 G540	Y192-L525 HydrophobicContact CE1-CD1 4.09Å; Y192-L525 HydrophobicContact CE2-CD1 3.82Å; Y192-L525 HydrophobicContact CE2-CG 3.99Å; Y192-L525 WeakPolarHBondContact OH-CD1 3.47Å; L405-L525 HydrophobicContact CB-CB 4.34Å; L405-L525 HydrophobicContact CD1-CD2 4.18Å; L405-L525 PolarHBondContact N-O 2.88Å; L405-L525 PolarHBondContact O-N 2.94Å; L414-L525 HydrophobicContact CD1-CB 4.1Å; L421-L525 HydrophobicContact CD2-CD1 3.66Å; L525-L527 HydrophobicContact CD2-CD2 4.3Å; L525-M539 HydrophobicContact CD1-CE 4.1Å; L525-M539 HydrophobicContact CD2-CE 3.95Å; L525-M539 HydrophobicContact CG-CE 4.43Å; L525-G540 WeakPolarHBondContact CA-O 3.43Å
526	F	98.1	Very high	96.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156.7	172.4	70	-92.9	0	0	0	111.5	A206 L402 V403 V450 L494 F524 G540 V542	A206-F526 HydrophobicContact CB-CZ 4.05Å; L402-F526 HydrophobicContact CD1-CB 4.13Å; L402-F526 HydrophobicContact CD1-CD2 4.02Å; L402-F526 HydrophobicContact CD1-CG 4.41Å; V403-F526 CarbonylContact O-C 3.56Å; V403-F526 VanDerWaalsContact O-CA 3.25Å; V403-F526 WeakPolarHBondContact O-CA 2.97Å; V450-F526 HydrophobicContact CG2-CE1 4.39Å; L494-F526 HydrophobicContact CD1-CE2 3.96Å; L494-F526 HydrophobicContact CD2-CE2 4.41Å; F524-F526 HydrophobicContact CD2-CB 4.25Å; F524-F526 HydrophobicContact CD2-CD1 4.45Å; F524-F526 HydrophobicContact CE2-CB 4.18Å; F524-F526 HydrophobicContact CE2-CD1 4.04Å; F526-G540 PolarHBondContact N-O 3.25Å; F526-G540 PolarHBondContact O-N 3.39Å; F526-G540 VanDerWaalsContact O-O 3.14Å; F526-V542 HydrophobicContact CD1-CG2 4.1Å; F526-V542 HydrophobicContact CE1-CG2 3.89Å
527	L	96.9	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.4	163.6	61.5	141.3	0	0	0	110.9	L402 V403 L405 F426 M430 L525 W529 P536 F538 M539	L402-L527 WeakPolarHBondContact CA-O 3.36Å; V403-L527 HydrophobicContact CB-CD2 3.82Å; V403-L527 HydrophobicContact CB-CG 3.9Å; V403-L527 HydrophobicContact CG1-CD2 4.17Å; V403-L527 HydrophobicContact CG2-CG 4.43Å; V403-L527 PolarHBondContact N-O 2.74Å; V403-L527 PolarHBondContact O-N 3.16Å; L405-L527 HydrophobicContact CD1-CD2 4.01Å; F426-L527 HydrophobicContact CE2-CD1 4.25Å; F426-L527 HydrophobicContact CE2-CD2 4.2Å; F426-L527 HydrophobicContact CZ-CD1 3.84Å; M430-L527 HydrophobicContact SD-CD1 4.3Å; L525-L527 HydrophobicContact CD2-CD2 4.3Å; L527-W529 HydrophobicContact CD1-CB 4Å; L527-W529 HydrophobicContact CD1-CD2 4.32Å; L527-W529 HydrophobicContact CD1-CE3 3.61Å; L527-W529 HydrophobicContact CD1-CZ3 4.42Å; L527-P536 HydrophobicContact CB-CB 4.34Å; L527-P536 HydrophobicContact CD1-CB 4.02Å; L527-F538 CarbonylContact C-O 3.54Å; L527-F538 WeakPolarHBondContact CA-O 3.49Å; L527-F538 VanDerWaalsContact CB-O 3.31Å; L527-F538 WeakPolarHBondContact CB-O 3.36Å; L527-M539 HydrophobicContact CB-CG 4.33Å
528	L	96.9	Very high	96.6	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	108.4	165.3	-171.3	73	0	0	0	107.3	V256 L333 L396 L400 P536 V537 F538	V256-L528 HydrophobicContact CG1-CD2 3.95Å; L333-L528 HydrophobicContact CD1-CD1 4.27Å; L333-L528 HydrophobicContact CD1-CD2 3.43Å; L333-L528 VanDerWaalsContact CD1-CD2 3.43Å; L396-L528 HydrophobicContact CD1-CD1 4.31Å; L396-L528 HydrophobicContact CD2-CD1 4.04Å; L400-L528 HydrophobicContact CB-CD1 4.23Å; L400-L528 HydrophobicContact CB-CG 4.45Å; L400-L528 HydrophobicContact CD1-CD1 4.47Å; L400-L528 HydrophobicContact CD1-CD2 3.75Å; L400-L528 HydrophobicContact CD1-CG 4.14Å; L528-P536 CarbonylContact O-C 3.54Å; L528-V537 HydrophobicContact CD2-CB 4.25Å; L528-V537 HydrophobicContact CD2-CG1 4.45Å; L528-V537 PolarHBondContact O-N 3.04Å; L528-F538 HydrophobicContact CB-CB 3.87Å; L528-F538 HydrophobicContact CB-CD2 4.32Å; L528-F538 HydrophobicContact CD2-CD2 3.78Å; L528-F538 HydrophobicContact CD2-CE2 4.36Å; L528-F538 PolarHBondContact N-O 3.11Å; L528-F538 PolarHBondContact O-N 3.48Å
529	W	97.3	Very high	96.6	Very high	21 Å²	21	22 Å²	22	8%	0.08	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.1	-173.7	-178.1	-103.9	0	0	0	111.7	V185 L400 S401 V403 F426 M430 L527 K534 P536	V185-W529 HydrophobicContact CG2-CH2 3.95Å; V185-W529 HydrophobicContact CG2-CZ3 3.97Å; L400-W529 CarbonylContact C-O 3.55Å; L400-W529 VanDerWaalsContact CA-O 3.3Å; L400-W529 WeakPolarHBondContact CA-O 3.05Å; S401-W529 PolarHBondContact N-O 3.23Å; S401-W529 PolarHBondContact O-N 2.8Å; V403-W529 HydrophobicContact CG2-CB 4.23Å; F426-W529 HydrophobicContact CE1-CH2 4.24Å; F426-W529 AromaticContact CE1-CZ3 3.77Å; F426-W529 HydrophobicContact CE1-CZ3 3.77Å; F426-W529 HydrophobicContact CZ-CE3 4.45Å; F426-W529 AromaticContact CZ-CZ3 3.96Å; F426-W529 HydrophobicContact CZ-CZ3 3.96Å; M430-W529 HydrophobicContact CB-CH2 4.3Å; M430-W529 HydrophobicContact CB-CZ2 4.22Å; M430-W529 HydrophobicContact CE-CB 4.32Å; M430-W529 HydrophobicContact CE-CD2 3.39Å; M430-W529 VanDerWaalsContact CE-CE2 3.43Å; M430-W529 HydrophobicContact CE-CE3 3.9Å; M430-W529 HydrophobicContact CE-CG 3.59Å; M430-W529 HydrophobicContact CE-CH2 4.34Å; M430-W529 HydrophobicContact CE-CZ2 3.9Å; M430-W529 HydrophobicContact CE-CZ3 4.35Å; M430-W529 HydrophobicContact CG-CH2 3.99Å; M430-W529 HydrophobicContact CG-CZ2 4.25Å; M430-W529 HydrophobicContact CG-CZ3 4.17Å; M430-W529 HydrophobicContact SD-CD2 4.47Å; M430-W529 HydrophobicContact SD-CE3 4.43Å; L527-W529 HydrophobicContact CD1-CB 4Å; L527-W529 HydrophobicContact CD1-CD2 4.32Å; L527-W529 HydrophobicContact CD1-CE3 3.61Å; L527-W529 HydrophobicContact CD1-CZ3 4.42Å; W529-K534 HydrophobicContact CH2-CB 4.25Å; W529-K534 WeakPolarHBondContact CH2-O 3.46Å; W529-K534 HydrophobicContact CZ2-CB 3.67Å; W529-K534 HydrophobicContact CZ2-CG 4.37Å; W529-K534 WeakPolarHBondContact CZ2-O 3.42Å; W529-P536 HydrophobicContact CE3-CB 4.32Å
530	D	96.1	Very high	96.6	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	114.6	164.9	-172.5	-57.3	0	0	0	109.2	L400 Q532 H533 K534 F535 V537	L400-D530 HydrophobicContact CD2-CB 3.97Å; D530-Q532 VanDerWaalsContact C-N 3.34Å; D530-Q532 WeakPolarHBondContact OD1-CA 3.28Å; D530-Q532 WeakPolarHBondContact OD1-CB 3.35Å; D530-Q532 PolarHBondContact OD1-N 3.17Å; D530-H533 IonicContact OD1-CG 3.74Å; D530-H533 PolarHBondContact OD1-N 3.46Å; D530-H533 IonicContact OD1-ND1 3.91Å; D530-H533 PolarHBondContact OD1-ND1 3.37Å; D530-H533 IonicContact OD2-ND1 2.88Å; D530-H533 PolarHBondContact OD2-ND1 3.28Å; D530-K534 VanDerWaalsContact O-CA 3.26Å; D530-K534 WeakPolarHBondContact O-CA 3.35Å; D530-K534 PolarHBondContact O-N 3.26Å; D530-F535 HydrophobicContact CB-CD1 4.25Å; D530-F535 HydrophobicContact CB-CE1 4Å; D530-F535 HydrophobicContact CB-CE2 4.43Å; D530-F535 HydrophobicContact CB-CZ 4.08Å; D530-F535 PolarHBondContact N-O 3.46Å; D530-V537 HydrophobicContact CB-CG2 3.9Å
531	Q	94.4	Very high	96.6	Very high	60 Å²	60	19.3 Å²	19.3	28%	0.28	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.3	-176.4	-62.8	175.8	-1.7	0	0	113.5	N399 S401	N399-Q531 VanDerWaalsContact O-CB 3.24Å; N399-Q531 WeakPolarHBondContact O-CB 3.47Å; N399-Q531 VanDerWaalsContact O-CG 3.29Å; N399-Q531 WeakPolarHBondContact O-CG 3.4Å; N399-Q531 PolarHBondContact O-N 3.16Å; S401-Q531 PolarHBondContact OG-NE2 3.48Å
532	Q	92.5	Very high	96.6	Very high	120 Å²	120	17.1 Å²	17.1	56%	0.561	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-49.4	-176.3	175.4	177.4	-30.6	0	0	110.4	N399 D530	N399-Q532 HydrophobicContact CB-CB 4.44Å; N399-Q532 PolarHBondContact ND2-OE1 3.13Å; D530-Q532 VanDerWaalsContact C-N 3.34Å; D530-Q532 WeakPolarHBondContact OD1-CA 3.28Å; D530-Q532 WeakPolarHBondContact OD1-CB 3.35Å; D530-Q532 PolarHBondContact OD1-N 3.17Å
533	H	93.8	Very high	96.6	Very high	25 Å²	25	16.6 Å²	16.6	12%	0.116	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-4.5	-174.3	-53.9	109.5	0	0	0	113.4	F251 D530 F535	F251-H533 HydrophobicContact CD1-CB 3.98Å; F251-H533 AromaticContact CD1-CD2 3.45Å; F251-H533 VanDerWaalsContact CD1-CD2 3.45Å; F251-H533 WeakPolarHBondContact CD1-CD2 3.45Å; F251-H533 AromaticContact CD1-CG 3.69Å; F251-H533 HydrophobicContact CD2-CB 4.14Å; F251-H533 HydrophobicContact CE1-CB 3.75Å; F251-H533 AromaticContact CE1-CD2 3.38Å; F251-H533 WeakPolarHBondContact CE1-CD2 3.46Å; F251-H533 AromaticContact CE1-CG 3.74Å; F251-H533 HydrophobicContact CE2-CB 3.92Å; F251-H533 HydrophobicContact CG-CB 4.15Å; F251-H533 HydrophobicContact CZ-CB 3.71Å; D530-H533 IonicContact OD1-CG 3.74Å; D530-H533 PolarHBondContact OD1-N 3.46Å; D530-H533 IonicContact OD1-ND1 3.91Å; D530-H533 PolarHBondContact OD1-ND1 3.37Å; D530-H533 IonicContact OD2-ND1 2.88Å; D530-H533 PolarHBondContact OD2-ND1 3.28Å; H533-F535 HydrophobicContact CB-CD1 3.53Å; H533-F535 HydrophobicContact CB-CE1 3.46Å; H533-F535 VanDerWaalsContact CB-CE1 3.46Å
534	K	95.7	Very high	96.5	Very high	89 Å²	89	16.8 Å²	16.8	39%	0.387	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	49.6	170.9	-56	-168.8	-179.8	-162.3	0	114.4	E434 W529 D530	E434-K534 IonicContact OE1-NZ 3.07Å; E434-K534 PolarHBondContact OE1-NZ 3.33Å; E434-K534 IonicContact OE2-NZ 3.77Å; E434-K534 PolarHBondContact OE2-NZ 2.99Å; W529-K534 HydrophobicContact CH2-CB 4.25Å; W529-K534 WeakPolarHBondContact CH2-O 3.46Å; W529-K534 HydrophobicContact CZ2-CB 3.67Å; W529-K534 HydrophobicContact CZ2-CG 4.37Å; W529-K534 WeakPolarHBondContact CZ2-O 3.42Å; D530-K534 VanDerWaalsContact O-CA 3.26Å; D530-K534 WeakPolarHBondContact O-CA 3.35Å; D530-K534 PolarHBondContact O-N 3.26Å
535	F	96.1	Very high	96.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.1	174.2	72.2	-96.2	0	0	0	112.2	L184 F210 F251 D530 H533 V537	L184-F535 HydrophobicContact CB-CB 3.85Å; L184-F535 HydrophobicContact CD1-CB 3.9Å; L184-F535 HydrophobicContact CD1-CD1 4.08Å; L184-F535 HydrophobicContact CD1-CD2 4.04Å; L184-F535 HydrophobicContact CD1-CG 3.75Å; F210-F535 HydrophobicContact CB-CD2 4.02Å; F210-F535 HydrophobicContact CB-CE2 3.59Å; F210-F535 HydrophobicContact CD1-CE2 4.26Å; F210-F535 HydrophobicContact CD2-CD2 4.08Å; F210-F535 HydrophobicContact CD2-CE1 4.44Å; F210-F535 AromaticContact CD2-CE2 3.4Å; F210-F535 HydrophobicContact CD2-CE2 3.4Å; F210-F535 VanDerWaalsContact CD2-CE2 3.4Å; F210-F535 AromaticContact CD2-CZ 3.62Å; F210-F535 HydrophobicContact CD2-CZ 3.62Å; F210-F535 HydrophobicContact CE2-CE2 4.14Å; F210-F535 AromaticContact CE2-CZ 3.87Å; F210-F535 HydrophobicContact CE2-CZ 3.87Å; F210-F535 HydrophobicContact CG-CD2 4.28Å; F210-F535 AromaticContact CG-CE2 3.47Å; F210-F535 HydrophobicContact CG-CE2 3.47Å; F210-F535 VanDerWaalsContact CG-CE2 3.47Å; F210-F535 HydrophobicContact CG-CZ 4Å; F210-F535 HydrophobicContact CZ-CZ 4.45Å; F251-F535 HydrophobicContact CB-CE1 3.81Å; F251-F535 HydrophobicContact CB-CZ 4.14Å; F251-F535 AromaticContact CD2-CD1 3.46Å; F251-F535 HydrophobicContact CD2-CD1 3.46Å; F251-F535 VanDerWaalsContact CD2-CD1 3.46Å; F251-F535 AromaticContact CD2-CE1 3.3Å; F251-F535 HydrophobicContact CD2-CE1 3.3Å; F251-F535 HydrophobicContact CD2-CG 4.46Å; F251-F535 HydrophobicContact CD2-CZ 4.21Å; F251-F535 AromaticContact CE2-CD1 3.66Å; F251-F535 HydrophobicContact CE2-CD1 3.66Å; F251-F535 AromaticContact CE2-CE1 3.95Å; F251-F535 HydrophobicContact CE2-CE1 3.95Å; F251-F535 HydrophobicContact CG-CD1 4.31Å; F251-F535 AromaticContact CG-CE1 3.72Å; F251-F535 HydrophobicContact CG-CE1 3.72Å; D530-F535 HydrophobicContact CB-CD1 4.25Å; D530-F535 HydrophobicContact CB-CE1 4Å; D530-F535 HydrophobicContact CB-CE2 4.43Å; D530-F535 HydrophobicContact CB-CZ 4.08Å; D530-F535 PolarHBondContact N-O 3.46Å; H533-F535 HydrophobicContact CB-CD1 3.53Å; H533-F535 HydrophobicContact CB-CE1 3.46Å; H533-F535 VanDerWaalsContact CB-CE1 3.46Å; F535-V537 HydrophobicContact CD2-CG2 4.42Å; F535-V537 HydrophobicContact CE2-CB 4.43Å; F535-V537 HydrophobicContact CE2-CG2 3.76Å; F535-V537 HydrophobicContact CZ-CG2 4.29Å
536	P	97	Very high	96	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.4	175.1	34.4	-33.5	0	0	0	111.4	S188 P209 L527 L528 W529	S188-P536 WeakPolarHBondContact OG-CG 3.42Å; P209-P536 HydrophobicContact CG-CG 4.29Å; L527-P536 HydrophobicContact CB-CB 4.34Å; L527-P536 HydrophobicContact CD1-CB 4.02Å; L528-P536 CarbonylContact O-C 3.54Å; W529-P536 HydrophobicContact CE3-CB 4.32Å
537	V	96.4	Very high	94.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-40.1	173.7	-170.4	0	0	0	0	110.7	S208 T253 V256 L400 L528 D530 F535	S208-V537 WeakPolarHBondContact CA-O 3.41Å; S208-V537 WeakPolarHBondContact CB-O 3.04Å; S208-V537 PolarHBondContact OG-O 3.27Å; T253-V537 HydrophobicContact CG2-CG1 4.28Å; T253-V537 HydrophobicContact CG2-CG2 4.33Å; V256-V537 HydrophobicContact CB-CG1 4.49Å; V256-V537 HydrophobicContact CG1-CG1 3.83Å; V256-V537 HydrophobicContact CG2-CG1 3.93Å; L400-V537 HydrophobicContact CD2-CG2 4.05Å; L528-V537 HydrophobicContact CD2-CB 4.25Å; L528-V537 HydrophobicContact CD2-CG1 4.45Å; L528-V537 PolarHBondContact O-N 3.04Å; D530-V537 HydrophobicContact CB-CG2 3.9Å; F535-V537 HydrophobicContact CD2-CG2 4.42Å; F535-V537 HydrophobicContact CE2-CB 4.43Å; F535-V537 HydrophobicContact CE2-CG2 3.76Å; F535-V537 HydrophobicContact CZ-CG2 4.29Å
538	F	96.4	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.7	169.6	-77.2	-103.6	0	0	0	109.7	F207 V256 I331 L333 A492 L494 L527 L528	F207-F538 WeakPolarHBondContact O-CA 3.45Å; V256-F538 HydrophobicContact CB-CE2 4.35Å; V256-F538 HydrophobicContact CG1-CD2 4.44Å; V256-F538 HydrophobicContact CG1-CE2 3.86Å; I331-F538 HydrophobicContact CB-CZ 4.36Å; I331-F538 HydrophobicContact CD1-CD2 4.39Å; I331-F538 HydrophobicContact CD1-CE1 4.48Å; I331-F538 HydrophobicContact CD1-CE2 3.62Å; I331-F538 HydrophobicContact CD1-CZ 3.69Å; I331-F538 HydrophobicContact CG1-CE2 4.04Å; I331-F538 HydrophobicContact CG1-CZ 3.68Å; I331-F538 HydrophobicContact CG2-CE1 3.92Å; I331-F538 HydrophobicContact CG2-CZ 3.92Å; L333-F538 HydrophobicContact CB-CE2 4.21Å; L333-F538 HydrophobicContact CB-CZ 4.35Å; A492-F538 HydrophobicContact CB-CE1 4.04Å; L494-F538 HydrophobicContact CB-CD1 4.43Å; L494-F538 HydrophobicContact CB-CE1 4.32Å; L494-F538 HydrophobicContact CD1-CB 4.04Å; L494-F538 HydrophobicContact CD1-CD1 4Å; L494-F538 HydrophobicContact CD1-CD2 4.35Å; L494-F538 HydrophobicContact CD1-CE1 4.48Å; L494-F538 HydrophobicContact CD1-CG 3.91Å; L527-F538 CarbonylContact C-O 3.54Å; L527-F538 WeakPolarHBondContact CA-O 3.49Å; L527-F538 VanDerWaalsContact CB-O 3.31Å; L527-F538 WeakPolarHBondContact CB-O 3.36Å; L528-F538 HydrophobicContact CB-CB 3.87Å; L528-F538 HydrophobicContact CB-CD2 4.32Å; L528-F538 HydrophobicContact CD2-CD2 3.78Å; L528-F538 HydrophobicContact CD2-CE2 4.36Å; L528-F538 PolarHBondContact N-O 3.11Å; L528-F538 PolarHBondContact O-N 3.48Å
539	M	97.7	Very high	94.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.3	168.6	-162.4	174.7	-178.8	0	0	109.6	L189 Y192 F207 P209 L421 L525 L527	L189-M539 HydrophobicContact CD2-CE 4.01Å; Y192-M539 HydrophobicContact CD2-CE 3.58Å; Y192-M539 HydrophobicContact CD2-CG 3.8Å; Y192-M539 HydrophobicContact CD2-SD 3.74Å; Y192-M539 HydrophobicContact CE2-CE 4.11Å; Y192-M539 HydrophobicContact CE2-CG 4.3Å; Y192-M539 HydrophobicContact CG-CE 3.91Å; Y192-M539 HydrophobicContact CG-SD 4.21Å; F207-M539 WeakPolarHBondContact CD1-O 3.34Å; F207-M539 HydrophobicContact CE1-CB 4.38Å; F207-M539 HydrophobicContact CE2-CB 4.29Å; F207-M539 HydrophobicContact CZ-CB 3.97Å; F207-M539 HydrophobicContact CZ-CG 4.43Å; F207-M539 PolarHBondContact N-O 2.94Å; F207-M539 PolarHBondContact O-N 2.95Å; P209-M539 HydrophobicContact CG-CB 4.2Å; L421-M539 HydrophobicContact CD2-CE 3.94Å; L525-M539 HydrophobicContact CD1-CE 4.1Å; L525-M539 HydrophobicContact CD2-CE 3.95Å; L525-M539 HydrophobicContact CG-CE 4.43Å; L527-M539 HydrophobicContact CB-CG 4.33Å
540	G	97.3	Very high	94.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-174	-177.6	0	0	0	0	0	114.3	M205 L525 F526	M205-G540 CarbonylContact O-C 3.58Å; M205-G540 WeakPolarHBondContact O-CA 3.43Å; L525-G540 WeakPolarHBondContact CA-O 3.43Å; F526-G540 PolarHBondContact N-O 3.25Å; F526-G540 PolarHBondContact O-N 3.39Å; F526-G540 VanDerWaalsContact O-O 3.14Å
541	R	97.6	Very high	94.3	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.6	176.7	67.2	-165.6	-175.2	-163.9	-7	111.5	Y192 S196 T203 N204 M205 L414 E418 F524 Y543	Y192-R541 WeakPolarHBondContact OH-CD 3.31Å; S196-R541 PolarHBondContact OG-NH1 2.95Å; T203-R541 PolarHBondContact O-NE 3.01Å; T203-R541 VanDerWaalsContact O-NE 3.09Å; N204-R541 WeakPolarHBondContact CA-O 3.32Å; M205-R541 HydrophobicContact CE-CG 4.41Å; M205-R541 HydrophobicContact CG-CG 3.82Å; M205-R541 PolarHBondContact N-O 3.45Å; M205-R541 VanDerWaalsContact N-O 3.08Å; M205-R541 PolarHBondContact O-N 2.93Å; L414-R541 HydrophobicContact CD2-CB 3.91Å; E418-R541 VanDerWaalsContact CD-NH1 3.3Å; E418-R541 WeakPolarHBondContact OE1-CD 3.01Å; E418-R541 IonicContact OE1-CZ 3.36Å; E418-R541 IonicContact OE1-NE 3.72Å; E418-R541 IonicContact OE1-NH1 2.67Å; E418-R541 PolarHBondContact OE1-NH1 3.38Å; E418-R541 IonicContact OE2-NH1 3.7Å; E418-R541 PolarHBondContact OE2-NH1 3.16Å; E418-R541 VanDerWaalsContact OE2-NH1 3.08Å; F524-R541 CarbonylContact O-C 3.58Å; F524-R541 VanDerWaalsContact O-CA 3.27Å; F524-R541 WeakPolarHBondContact O-CA 3.38Å; R541-Y543 HydrophobicContact CG-CD2 4.19Å; R541-Y543 HydrophobicContact CG-CE2 4.16Å
542	V	97.6	Very high	94.3	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120	172.4	-176.5	0	0	0	0	108.5	I448 V450 P523 F524 F526 P545	I448-V542 HydrophobicContact CG2-CG2 4.28Å; V450-V542 HydrophobicContact CG2-CG2 3.93Å; P523-V542 VanDerWaalsContact CA-O 3.25Å; P523-V542 WeakPolarHBondContact CA-O 3.43Å; F524-V542 HydrophobicContact CD1-CB 4.19Å; F524-V542 HydrophobicContact CE1-CB 3.64Å; F524-V542 HydrophobicContact CE1-CG1 4.08Å; F524-V542 HydrophobicContact CE1-CG2 4.16Å; F524-V542 HydrophobicContact CE2-CB 4.23Å; F524-V542 HydrophobicContact CE2-CG2 4Å; F524-V542 HydrophobicContact CZ-CB 3.67Å; F524-V542 HydrophobicContact CZ-CG1 4.32Å; F524-V542 HydrophobicContact CZ-CG2 3.64Å; F524-V542 PolarHBondContact N-O 2.98Å; F524-V542 VanDerWaalsContact N-O 3.09Å; F524-V542 PolarHBondContact O-N 3.17Å; F526-V542 HydrophobicContact CD1-CG2 4.1Å; F526-V542 HydrophobicContact CE1-CG2 3.89Å; V542-P545 HydrophobicContact CG1-CB 4.17Å; V542-P545 HydrophobicContact CG1-CG 3.81Å
543	Y	96.9	Very high	94.4	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.016	15%	0.147	C	C	.	.	S	Bend	trans	-100.5	-34.9	168.5	-83.2	-87	0	0	0	111.5	E202 N204 F360 F362 L414 E415 P523 R541	E202-Y543 HydrophobicContact CB-CD1 3.71Å; E202-Y543 HydrophobicContact CB-CD2 4.49Å; E202-Y543 HydrophobicContact CB-CE1 3.98Å; E202-Y543 HydrophobicContact CB-CG 4.01Å; E202-Y543 HydrophobicContact CG-CD1 3.94Å; E202-Y543 HydrophobicContact CG-CE1 3.76Å; E202-Y543 VanDerWaalsContact O-CB 3.25Å; E202-Y543 WeakPolarHBondContact O-CB 3.2Å; N204-Y543 PolarHBondContact OD1-N 3Å; F360-Y543 VanDerWaalsContact CE1-O 3.29Å; F360-Y543 WeakPolarHBondContact CE1-O 3.31Å; F362-Y543 WeakPolarHBondContact CD2-O 3.3Å; L414-Y543 HydrophobicContact CB-CE1 4.2Å; L414-Y543 HydrophobicContact CD2-CD2 4.45Å; L414-Y543 HydrophobicContact CD2-CE1 4.43Å; L414-Y543 HydrophobicContact CD2-CE2 3.9Å; E415-Y543 VanDerWaalsContact CD-OH 3.27Å; E415-Y543 PolarHBondContact OE2-OH 3.33Å; P523-Y543 HydrophobicContact CB-CD1 3.56Å; P523-Y543 HydrophobicContact CB-CE1 3.86Å; P523-Y543 HydrophobicContact CB-CG 4.11Å; P523-Y543 HydrophobicContact CG-CD1 3.65Å; P523-Y543 HydrophobicContact CG-CE1 4.17Å; P523-Y543 HydrophobicContact CG-CG 4.42Å; R541-Y543 HydrophobicContact CG-CD2 4.19Å; R541-Y543 HydrophobicContact CG-CE2 4.16Å
544	D	95.7	Very high	94.5	Very high	23 Å²	23	28.1 Å²	28.1	12%	0.123	15%	0.149	C	C	.	.			trans	-132.3	103.6	177.9	-172.4	-12.6	0	0	0	110.7	N204 F362 I367 R546 A547	N204-D544 PolarHBondContact ND2-O 2.89Å; N204-D544 PolarHBondContact OD1-N 3.01Å; F362-D544 HydrophobicContact CE2-CB 4.41Å; F362-D544 HydrophobicContact CZ-CB 4.36Å; I367-D544 WeakPolarHBondContact CD1-OD1 3.41Å; D544-R546 PolarHBondContact O-N 2.75Å; D544-R546 VanDerWaalsContact OD1-CB 3.3Å; D544-R546 WeakPolarHBondContact OD1-CB 3.34Å; D544-R546 VanDerWaalsContact OD1-CG 3.3Å; D544-R546 WeakPolarHBondContact OD1-CG 3.41Å; D544-R546 IonicContact OD1-CZ 3.98Å; D544-R546 PolarHBondContact OD1-N 2.94Å; D544-R546 VanDerWaalsContact OD1-N 3.1Å; D544-R546 IonicContact OD1-NE 3.06Å; D544-R546 PolarHBondContact OD1-NE 2.98Å; D544-R546 IonicContact OD1-NH2 3.76Å; D544-R546 IonicContact OD2-CZ 3.36Å; D544-R546 IonicContact OD2-NE 3.54Å; D544-R546 PolarHBondContact OD2-NE 3.32Å; D544-R546 IonicContact OD2-NH2 3.81Å; D544-R546 PolarHBondContact OD2-NH2 3.29Å; D544-A547 PolarHBondContact O-N 3.12Å
545	P	94.2	Very high	94.4	Very high	20 Å²	20	23.4 Å²	23.4	13%	0.13	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	6.8	-178.6	-18.3	30.6	0	0	0	116	F360 V369 P446 V542	F360-P545 HydrophobicContact CD1-CG 4.22Å; F360-P545 HydrophobicContact CD2-CG 3.75Å; F360-P545 HydrophobicContact CE1-CG 4.07Å; F360-P545 HydrophobicContact CE2-CG 3.56Å; F360-P545 HydrophobicContact CG-CG 4.08Å; F360-P545 HydrophobicContact CZ-CG 3.72Å; V369-P545 HydrophobicContact CB-CB 4.44Å; V369-P545 HydrophobicContact CG1-CB 4.29Å; V369-P545 HydrophobicContact CG2-CB 4.42Å; V369-P545 HydrophobicContact CG2-CG 4.46Å; P446-P545 HydrophobicContact CB-CB 3.8Å; P446-P545 HydrophobicContact CB-CG 4.03Å; P446-P545 HydrophobicContact CG-CB 4.31Å; P446-P545 HydrophobicContact CG-CG 4.13Å; V542-P545 HydrophobicContact CG1-CB 4.17Å; V542-P545 HydrophobicContact CG1-CG 3.81Å
546	R	91.7	Very high	94.2	Very high	148 Å²	148	25.3 Å²	25.3	56%	0.558	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-16.3	178.1	-57.6	174	-64.5	169.9	3.9	113.9	I367 V369 D544	I367-R546 HydrophobicContact CD1-CG 4.3Å; V369-R546 HydrophobicContact CG1-CG 3.67Å; D544-R546 PolarHBondContact O-N 2.75Å; D544-R546 VanDerWaalsContact OD1-CB 3.3Å; D544-R546 WeakPolarHBondContact OD1-CB 3.34Å; D544-R546 VanDerWaalsContact OD1-CG 3.3Å; D544-R546 WeakPolarHBondContact OD1-CG 3.41Å; D544-R546 IonicContact OD1-CZ 3.98Å; D544-R546 PolarHBondContact OD1-N 2.94Å; D544-R546 VanDerWaalsContact OD1-N 3.1Å; D544-R546 IonicContact OD1-NE 3.06Å; D544-R546 PolarHBondContact OD1-NE 2.98Å; D544-R546 IonicContact OD1-NH2 3.76Å; D544-R546 IonicContact OD2-CZ 3.36Å; D544-R546 IonicContact OD2-NE 3.54Å; D544-R546 PolarHBondContact OD2-NE 3.32Å; D544-R546 IonicContact OD2-NH2 3.81Å; D544-R546 PolarHBondContact OD2-NH2 3.29Å
547	A	72.4	Confident	94	Very high	101 Å²	101	27.6 Å²	27.6	84%	0.835	16%	0.155	S	C	*	.			trans	-98.7	0	-168	0	0	0	0	0	113.1	D544	D544-A547 PolarHBondContact O-N 3.12Å

Retrieved 547 of 547 residues in 1909.4 ms (Link to these results)

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