A0A077Z7L3_TRITR Loading...

cGMP-dependent protein kinase

AlphaFold DB , UniProt , Accession A0A077Z7L3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 663 aa.

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(Predicted Aligned Error values between residue pairs)

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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	30.3	Very low	30.5	Very low	250 Å²	250	120 Å²	120	100%	1.232	66%	0.658	S	S	*	*				0	43.7	0	-70.9	-100	-82.1	0	0	110.3
2	A	25.3	Very low	30.2	Very low	99 Å²	99	120.8 Å²	120.8	82%	0.818	66%	0.66	S	S	*	*			trans	-144.5	101.8	-171.3	0	0	0	0	0	108.3
3	S	29.6	Very low	30	Very low	103 Å²	103	123.5 Å²	123.5	72%	0.72	67%	0.673	S	S	*	*			trans	-178.7	77.9	159.4	63.5	0	0	0	0	109.7
4	E	32.2	Very low	29.7	Very low	132 Å²	132	123.6 Å²	123.6	62%	0.617	67%	0.672	S	S	*	*			trans	-131.6	19.5	168.9	-90.9	-171.4	160.3	0	0	112
5	C	33.6	Very low	29.4	Very low	104 Å²	104	128.9 Å²	128.9	70%	0.703	69%	0.686	S	S	*	*			trans	-89.3	0.8	-171.6	-90.1	0	0	0	0	116.7
6	D	32.9	Very low	29.2	Very low	79 Å²	79	128.6 Å²	128.6	42%	0.422	69%	0.69	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.3	18.5	-167.3	-73.3	-20.8	0	0	0	115.9	T392	D6-T392 HydrophobicContact CB-CG2 3.69Å
7	K	35.6	Very low	29.1	Very low	84 Å²	84	128.8 Å²	128.8	37%	0.365	70%	0.697	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.9	-6.9	-179.4	-71.7	-168.3	176.4	-173.6	0	116.7	T392	K7-T392 WeakPolarHBondContact CE-O 3.45Å
8	L	29.7	Very low	28.9	Very low	59 Å²	59	132.2 Å²	132.2	31%	0.309	71%	0.708	S	S	.	*			trans	-157.5	98.5	-179.2	-91.1	151.2	0	0	0	112.4	V51 Y158	L8-V51 HydrophobicContact CD2-CG1 3.96Å; L8-Y158 HydrophobicContact CD1-CD2 4.08Å; L8-Y158 HydrophobicContact CD1-CE2 3.69Å
9	R	29.3	Very low	28.9	Very low	220 Å²	220	131.4 Å²	131.4	83%	0.83	71%	0.714	S	S	*	*			trans	-120.6	96.6	162.5	-81.6	-170.6	-179.1	-155.6	1.9	109.8	Q49	R9-Q49 PolarHBondContact O-OE1 3.25Å
10	S	29.3	Very low	28.9	Very low	78 Å²	78	131 Å²	131	55%	0.545	72%	0.718	S	S	.	*			trans	154.4	66	147.5	179	0	0	0	0	112.2
11	V	27.8	Very low	29.1	Very low	112 Å²	112	128.8 Å²	128.8	68%	0.679	72%	0.717	S	S	*	*			trans	-132.6	41.7	161.2	-166.5	0	0	0	0	110
12	L	27.3	Very low	29.2	Very low	130 Å²	130	126.4 Å²	126.4	68%	0.681	70%	0.7	S	S	*	*			trans	-144.3	70.3	176.2	-75.2	173	0	0	0	109.7
13	D	26.7	Very low	29.5	Very low	155 Å²	155	125.4 Å²	125.4	83%	0.829	70%	0.699	S	S	*	*			trans	-160	66.6	155.2	-97.6	-25.7	0	0	0	109.9
14	L	26.9	Very low	29.8	Very low	125 Å²	125	127.1 Å²	127.1	65%	0.654	69%	0.694	S	S	*	*			trans	-108.5	92.7	157.5	-80.9	168.4	0	0	0	107.3	V16	L14-V16 PolarHBondContact O-N 3.11Å; L14-V16 VanDerWaalsContact O-N 3.14Å
15	K	24.5	Very low	30.1	Very low	204 Å²	204	124.4 Å²	124.4	89%	0.887	69%	0.69	S	S	*	*			trans	-62.9	106.6	160.4	-80.1	-179.3	176.3	175.6	0	107.4
16	V	27	Very low	30.2	Very low	123 Å²	123	124 Å²	124	75%	0.745	69%	0.688	S	S	*	*			trans	-107.7	120.6	163.7	179.8	0	0	0	0	107.5	L14	L14-V16 PolarHBondContact O-N 3.11Å; L14-V16 VanDerWaalsContact O-N 3.14Å
17	T	27.3	Very low	30.6	Very low	133 Å²	133	125.7 Å²	125.7	82%	0.816	70%	0.697	S	S	*	*			trans	-57.8	140	177.7	34	0	0	0	0	112.1
18	E	25.6	Very low	30.8	Very low	189 Å²	189	126.1 Å²	126.1	88%	0.883	70%	0.7	S	S	*	*			trans	-68.3	134	-180	-66.2	179.8	149.3	0	0	112
19	S	27.4	Very low	31.2	Very low	118 Å²	118	127.8 Å²	127.8	83%	0.825	71%	0.709	S	S	*	*			trans	-151.1	120.4	152.2	-72.5	0	0	0	0	108.2
20	P	29.2	Very low	31.6	Very low	123 Å²	123	126.4 Å²	126.4	80%	0.799	70%	0.704	S	S	*	*			trans	-93.6	152.3	-176.5	35.2	-31	0	0	0	111.9
21	A	32.7	Very low	32	Very low	84 Å²	84	125.8 Å²	125.8	69%	0.694	70%	0.699	S	S	*	*			trans	123.3	127.9	131.1	0	0	0	0	0	117.8
22	K	34.4	Very low	32.3	Very low	200 Å²	200	125 Å²	125	87%	0.87	69%	0.689	S	S	*	*			trans	93.6	130.3	144	-71.9	167.2	-178.4	-175.5	0	118.6
23	G	30.9	Very low	32.7	Very low	79 Å²	79	124.7 Å²	124.7	81%	0.814	69%	0.687	S	S	*	*			trans	-79.8	149.5	-162.8	0	0	0	0	0	114.4
24	K	35.4	Very low	33.2	Very low	138 Å²	138	125 Å²	125	60%	0.6	68%	0.683	S	S	*	*			trans	-143.1	152	174.1	-77.2	-179.1	168.8	-165.4	0	109.1	E28	K24-E28 WeakPolarHBondContact CB-OE2 3.37Å; K24-E28 VanDerWaalsContact CD-OE2 3.28Å; K24-E28 WeakPolarHBondContact CD-OE2 3.28Å; K24-E28 WeakPolarHBondContact CG-OE2 3.48Å
25	S	38.3	Very low	33.5	Very low	76 Å²	76	126.2 Å²	126.2	53%	0.531	68%	0.683	S	S	.	*			trans	-72.3	164.3	-167.2	73.2	0	0	0	0	113.2	D27 E28	S25-D27 PolarHBondContact O-N 2.79Å; S25-D27 VanDerWaalsContact O-N 3.09Å; S25-E28 PolarHBondContact O-N 3.17Å
26	S	37	Very low	34	Very low	95 Å²	95	120.8 Å²	120.8	66%	0.664	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-18.5	-170.9	58	0	0	0	0	115.8
27	D	39.6	Very low	34.3	Very low	115 Å²	115	118 Å²	118	62%	0.615	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-22.6	179.7	-71.4	-32.1	0	0	0	113.1	S25	S25-D27 PolarHBondContact O-N 2.79Å; S25-D27 VanDerWaalsContact O-N 3.09Å
28	E	40.5	Very low	34.5	Very low	92 Å²	92	116.5 Å²	116.5	43%	0.43	65%	0.648	S	S	.	*	H	α-helix	trans	-75.5	-32.9	174.1	-69.7	-173.6	150	0	0	111.7	K24 S25 R30 S31 E32	K24-E28 WeakPolarHBondContact CB-OE2 3.37Å; K24-E28 VanDerWaalsContact CD-OE2 3.28Å; K24-E28 WeakPolarHBondContact CD-OE2 3.28Å; K24-E28 WeakPolarHBondContact CG-OE2 3.48Å; S25-E28 PolarHBondContact O-N 3.17Å; E28-R30 VanDerWaalsContact C-N 3.26Å; E28-R30 PolarHBondContact O-N 3.09Å; E28-S31 PolarHBondContact O-N 2.88Å; E28-S31 PolarHBondContact O-OG 2.88Å; E28-E32 PolarHBondContact O-N 2.8Å
29	L	38.3	Very low	34.7	Very low	95 Å²	95	115.1 Å²	115.1	50%	0.497	64%	0.644	S	S	.	*	H	α-helix	trans	-60.6	-31	175.7	-110.6	106.9	0	0	0	113.2	L33	L29-L33 WeakPolarHBondContact O-CB 3.21Å; L29-L33 VanDerWaalsContact O-CD1 3.3Å; L29-L33 WeakPolarHBondContact O-CD1 3.33Å; L29-L33 WeakPolarHBondContact O-CG 3.21Å; L29-L33 PolarHBondContact O-N 3.22Å; L29-L33 VanDerWaalsContact O-N 3.11Å
30	R	37.2	Very low	34.8	Very low	190 Å²	190	114.9 Å²	114.9	72%	0.717	63%	0.633	S	S	*	*	H	α-helix	trans	-70.7	-30.3	178.9	-97.6	178.7	165.2	163.8	-4.8	112.9	E28	E28-R30 VanDerWaalsContact C-N 3.26Å; E28-R30 PolarHBondContact O-N 3.09Å
31	S	37.3	Very low	34.7	Very low	65 Å²	65	112.5 Å²	112.5	46%	0.455	63%	0.631	S	S	.	*	H	α-helix	trans	-84.7	-29.8	178.7	86.8	0	0	0	0	113	E28 Q34 K35	E28-S31 PolarHBondContact O-N 2.88Å; E28-S31 PolarHBondContact O-OG 2.88Å; S31-Q34 PolarHBondContact O-N 2.84Å; S31-K35 PolarHBondContact O-N 3.48Å
32	E	35.3	Very low	34.5	Very low	97 Å²	97	117.5 Å²	117.5	45%	0.453	64%	0.64	S	S	.	*	H	α-helix	trans	-73.8	-35.5	173.7	-81	178.6	164.6	0	0	111.9	E28 Q34 K35 D36	E28-E32 PolarHBondContact O-N 2.8Å; E32-Q34 PolarHBondContact O-N 2.82Å; E32-Q34 VanDerWaalsContact O-N 3.17Å; E32-K35 PolarHBondContact O-N 2.94Å; E32-D36 PolarHBondContact O-N 2.86Å
33	L	36.3	Very low	34.6	Very low	122 Å²	122	111.4 Å²	111.4	64%	0.639	62%	0.62	S	S	*	*	H	α-helix	trans	-61.4	-24	173.3	-76	165.9	0	0	0	113.7	L29	L29-L33 WeakPolarHBondContact O-CB 3.21Å; L29-L33 VanDerWaalsContact O-CD1 3.3Å; L29-L33 WeakPolarHBondContact O-CD1 3.33Å; L29-L33 WeakPolarHBondContact O-CG 3.21Å; L29-L33 PolarHBondContact O-N 3.22Å; L29-L33 VanDerWaalsContact O-N 3.11Å
34	Q	35.7	Very low	35.1	Very low	162 Å²	162	113.1 Å²	113.1	76%	0.757	61%	0.614	S	S	*	*	H	α-helix	trans	-86.4	-21.5	173	-85.5	178.3	-20.6	0	0	113.6	S31 E32	S31-Q34 PolarHBondContact O-N 2.84Å; E32-Q34 PolarHBondContact O-N 2.82Å; E32-Q34 VanDerWaalsContact O-N 3.17Å
35	K	33	Very low	36.1	Very low	151 Å²	151	109.7 Å²	109.7	66%	0.657	60%	0.602	S	S	*	*	H	α-helix	trans	-91.6	-33.8	178	-79.4	179.3	175.1	175.2	0	112.9	S31 E32 A37 S38	S31-K35 PolarHBondContact O-N 3.48Å; E32-K35 PolarHBondContact O-N 2.94Å; K35-A37 VanDerWaalsContact C-N 3.3Å; K35-A37 PolarHBondContact O-N 3.07Å; K35-S38 PolarHBondContact O-N 3.29Å; K35-S38 PolarHBondContact O-OG 2.78Å
36	D	35	Very low	37.5	Very low	90 Å²	90	110.2 Å²	110.2	48%	0.481	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-71.6	-23.1	179.6	-77.5	-14.8	0	0	0	113.7	E32 S38 M39 L40	E32-D36 PolarHBondContact O-N 2.86Å; D36-S38 PolarHBondContact O-N 3.3Å; D36-S38 VanDerWaalsContact O-N 3.09Å; D36-M39 PolarHBondContact O-N 2.87Å; D36-M39 VanDerWaalsContact O-N 3.13Å; D36-L40 PolarHBondContact O-N 2.75Å
37	A	34	Very low	39.2	Very low	65 Å²	65	108.4 Å²	108.4	54%	0.537	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-60.4	-20	173.3	0	0	0	0	0	113.3	K35	K35-A37 VanDerWaalsContact C-N 3.3Å; K35-A37 PolarHBondContact O-N 3.07Å
38	S	31.5	Very low	41.2	Very low	100 Å²	100	104.4 Å²	104.4	70%	0.699	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-94.9	-13.4	178.7	73.4	0	0	0	0	114.8	K35 D36	K35-S38 PolarHBondContact O-N 3.29Å; K35-S38 PolarHBondContact O-OG 2.78Å; D36-S38 PolarHBondContact O-N 3.3Å; D36-S38 VanDerWaalsContact O-N 3.09Å
39	M	30.2	Very low	42.7	Very low	160 Å²	160	104.9 Å²	104.9	79%	0.788	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-7.6	-170.8	-74.2	-80.6	-117.8	0	0	114.5	D36 G41	D36-M39 PolarHBondContact O-N 2.87Å; D36-M39 VanDerWaalsContact O-N 3.13Å; M39-G41 VanDerWaalsContact C-N 3.28Å; M39-G41 PolarHBondContact O-N 2.85Å
40	L	29.3	Very low	44	Very low	113 Å²	113	101.6 Å²	101.6	59%	0.592	55%	0.551	S	S	*	*			trans	-80.5	73.7	173.1	-74.6	160.4	0	0	0	111.1	D36	D36-L40 PolarHBondContact O-N 2.75Å
41	G	28	Very low	45.9	Very low	73 Å²	73	92.9 Å²	92.9	75%	0.753	52%	0.518	S	S	*	.			trans	-93.5	10.1	178.7	0	0	0	0	0	115.9	M39	M39-G41 VanDerWaalsContact C-N 3.28Å; M39-G41 PolarHBondContact O-N 2.85Å
42	Q	27.2	Very low	47.4	Very low	189 Å²	189	90.9 Å²	90.9	88%	0.883	50%	0.504	S	S	*	.			trans	-145.3	60.8	178.4	-71.6	-174.8	-10.9	0	0	112
43	T	37.1	Very low	48.9	Very low	73 Å²	73	86.5 Å²	86.5	45%	0.448	48%	0.484	S	S	.	.			trans	-83.5	118.7	152.8	41.7	0	0	0	0	107.2	N45	T43-N45 PolarHBondContact O-N 3.39Å
44	V	42.1	Very low	50.3	Low	114 Å²	114	84.5 Å²	84.5	69%	0.691	47%	0.472	S	S	*	.			trans	-54.2	115.1	174.2	179.4	0	0	0	0	107.9	V46	V44-V46 HydrophobicContact CG1-CG2 4.05Å; V44-V46 PolarHBondContact O-N 3.18Å
45	N	56	Low	51.5	Low	67 Å²	67	78.1 Å²	78.1	36%	0.358	44%	0.444	S	S	.	.			trans	-69.9	93.2	176	-81.3	-13.6	0	0	0	108.2	T43 W439 G546	T43-N45 PolarHBondContact O-N 3.39Å; N45-W439 VanDerWaalsContact O-CZ2 3.29Å; N45-W439 WeakPolarHBondContact O-CZ2 3.34Å; N45-G546 PolarHBondContact ND2-O 2.9Å
46	V	66.8	Low	52.8	Low	86 Å²	86	73.5 Å²	73.5	52%	0.521	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-86.4	145.5	173.6	-177.5	0	0	0	0	109	V44 K48	V44-V46 HydrophobicContact CG1-CG2 4.05Å; V44-V46 PolarHBondContact O-N 3.18Å; V46-K48 PolarHBondContact O-N 3.34Å
47	K	73.5	Confident	53.6	Low	58 Å²	58	74.3 Å²	74.3	25%	0.252	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-55.6	129.4	174.1	-69.2	-169.2	-178.6	-173.7	0	109.9	E437 W439 E480 D643 Y645	K47-E437 WeakPolarHBondContact CE-OE2 3.26Å; K47-E437 VanDerWaalsContact NZ-CD 3.25Å; K47-E437 IonicContact NZ-OE1 3.52Å; K47-E437 PolarHBondContact NZ-OE1 3.45Å; K47-E437 IonicContact NZ-OE2 3.04Å; K47-E437 PolarHBondContact NZ-OE2 2.99Å; K47-W439 HydrophobicContact CB-CH2 4.46Å; K47-W439 HydrophobicContact CB-CZ2 4.3Å; K47-W439 HydrophobicContact CD-CE3 4.17Å; K47-W439 HydrophobicContact CD-CH2 4.37Å; K47-W439 HydrophobicContact CD-CZ3 3.99Å; K47-W439 VanDerWaalsContact CE-CE3 3.48Å; K47-W439 HydrophobicContact CG-CD2 3.96Å; K47-W439 HydrophobicContact CG-CE3 3.73Å; K47-W439 HydrophobicContact CG-CH2 3.39Å; K47-W439 HydrophobicContact CG-CZ2 3.6Å; K47-W439 HydrophobicContact CG-CZ3 3.45Å; K47-W439 VanDerWaalsContact CG-CZ3 3.45Å; K47-E480 HydrophobicContact CB-CG 4.47Å; K47-D643 WeakPolarHBondContact CE-OD2 3.33Å; K47-D643 IonicContact NZ-OD2 3.44Å; K47-D643 PolarHBondContact NZ-OD2 2.97Å; K47-Y645 PolarHBondContact NZ-OH 3.09Å
48	K	81.9	Confident	54.2	Low	30 Å²	30	75.7 Å²	75.7	13%	0.13	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-83.8	142	-178	-60	167.1	-172	148	0	111	V46 E480 T513 Y516 E542	V46-K48 PolarHBondContact O-N 3.34Å; K48-E480 WeakPolarHBondContact CB-OE1 3.2Å; K48-E480 PolarHBondContact N-OE1 3.46Å; K48-T513 HydrophobicContact CB-CG2 3.61Å; K48-T513 HydrophobicContact CD-CG2 4.11Å; K48-T513 HydrophobicContact CG-CG2 4.41Å; K48-Y516 HydrophobicContact CD-CE2 4.35Å; K48-E542 IonicContact NZ-OE1 2.62Å; K48-E542 PolarHBondContact NZ-OE1 3Å; K48-E542 IonicContact NZ-OE2 3.5Å; K48-E542 PolarHBondContact NZ-OE2 2.98Å
49	Q	71.2	Confident	55.1	Low	103 Å²	103	73.5 Å²	73.5	48%	0.481	41%	0.413	S	S	.	.			trans	-111	138.1	177.8	-68.7	-175.3	-10	0	0	110.9	R9	R9-Q49 PolarHBondContact O-OE1 3.25Å
50	G	65.7	Low	55.9	Low	26 Å²	26	75 Å²	75	27%	0.268	42%	0.416	S	S	.	.			trans	-71.9	150.3	173.4	0	0	0	0	0	111.6
51	V	75.8	Confident	56.5	Low	7 Å²	7	77.9 Å²	77.9	4%	0.042	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155.7	171.2	-64.6	0	0	0	0	110	L8 Y158 F497 F510 C511 G512 P514	L8-V51 HydrophobicContact CD2-CG1 3.96Å; V51-Y158 HydrophobicContact CB-CD2 4.28Å; V51-Y158 HydrophobicContact CB-CE2 4.46Å; V51-Y158 HydrophobicContact CG1-CD2 4.39Å; V51-Y158 HydrophobicContact CG1-CE2 4.11Å; V51-Y158 HydrophobicContact CG2-CD1 4.47Å; V51-Y158 HydrophobicContact CG2-CG 4.46Å; V51-F497 WeakPolarHBondContact O-CZ 3.29Å; V51-F510 HydrophobicContact CG2-CD1 4.27Å; V51-F510 HydrophobicContact CG2-CE1 3.75Å; V51-C511 CarbonylContact O-C 3.55Å; V51-C511 WeakPolarHBondContact O-CA 3.39Å; V51-C511 WeakPolarHBondContact O-CB 3.47Å; V51-G512 VanDerWaalsContact CG2-O 3.28Å; V51-G512 WeakPolarHBondContact CG2-O 3.48Å; V51-G512 PolarHBondContact N-O 3.45Å; V51-G512 PolarHBondContact O-N 2.71Å; V51-P514 HydrophobicContact CG2-CG 4.48Å
52	S	69.5	Low	57.5	Low	22 Å²	22	76.1 Å²	76.1	15%	0.154	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	138	175.5	-178.4	0	0	0	0	112	F510	S52-F510 CarbonylContact C-O 3.51Å; S52-F510 VanDerWaalsContact CA-O 3.26Å; S52-F510 WeakPolarHBondContact CA-O 3.2Å
53	A	67.4	Low	58.3	Low	5 Å²	5	77 Å²	77	4%	0.041	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	122.6	170.1	0	0	0	0	0	110.4	R179 T509 F510	A53-R179 VanDerWaalsContact CB-NH2 3.29Å; A53-T509 WeakPolarHBondContact O-CG2 3.44Å; A53-F510 HydrophobicContact CB-CB 4.47Å; A53-F510 PolarHBondContact N-O 3.36Å; A53-F510 PolarHBondContact O-N 3.32Å
54	E	65.6	Low	59.1	Low	80 Å²	80	76.6 Å²	76.6	37%	0.374	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-70	144.6	172.8	-71.5	-56.7	148.5	0	0	111	H397 T509	E54-H397 IonicContact OE1-CD2 2.75Å; E54-H397 IonicContact OE1-CE1 2.64Å; E54-H397 PolarHBondContact OE1-CE1 3.24Å; E54-H397 IonicContact OE1-NE2 3.46Å; E54-H397 PolarHBondContact OE1-NE2 3.01Å; E54-T509 WeakPolarHBondContact OE1-CG2 3.24Å; E54-T509 PolarHBondContact OE2-OG1 2.95Å
55	P	61.4	Low	60.2	Low	28 Å²	28	75.1 Å²	75.1	18%	0.182	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-69.1	159.6	168.9	31.1	-27.6	0	0	0	109.3	M187 W508	P55-M187 HydrophobicContact CB-CE 3.63Å; P55-M187 HydrophobicContact CB-SD 3.39Å; P55-M187 WeakPolarHBondContact CB-SD 3.2Å; P55-M187 HydrophobicContact CG-CE 4.22Å; P55-W508 HydrophobicContact CB-CB 4.17Å; P55-W508 HydrophobicContact CG-CB 4.1Å
56	I	60.2	Low	61.3	Low	54 Å²	54	73.3 Å²	73.3	28%	0.277	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-63.2	130.6	167.5	-65.2	176.1	0	0	0	107.9	Y58 A180	I56-Y58 PolarHBondContact O-N 3.25Å; I56-A180 HydrophobicContact CD1-CB 3.2Å
57	P	50.6	Low	62.1	Low	108 Å²	108	72.1 Å²	72.1	70%	0.701	38%	0.38	S	S	*	.			trans	-53.8	111.7	177.9	-24.3	32.1	0	0	0	110.2	S59	P57-S59 PolarHBondContact O-N 3.47Å
58	Y	48.4	Very low	63	Low	93 Å²	93	74.8 Å²	74.8	37%	0.365	39%	0.394	S	S	.	.			trans	-83.6	104.2	171.5	-176.4	-101.1	0	0	0	107.8	I56 R188 L191	I56-Y58 PolarHBondContact O-N 3.25Å; Y58-R188 HydrophobicContact CE2-CB 4.32Å; Y58-R188 HydrophobicContact CE2-CG 4.09Å; Y58-L191 HydrophobicContact CD1-CD1 4.41Å
59	S	49.2	Very low	63.5	Low	54 Å²	54	77.3 Å²	77.3	38%	0.378	41%	0.405	S	S	.	.			trans	-107.1	150.7	159.4	65.4	0	0	0	0	107.6	P57 E61 S62	P57-S59 PolarHBondContact O-N 3.47Å; S59-E61 PolarHBondContact O-N 3.41Å; S59-E61 PolarHBondContact OG-N 3.17Å; S59-S62 WeakPolarHBondContact O-CB 3.35Å; S59-S62 PolarHBondContact O-N 3.11Å; S59-S62 PolarHBondContact O-OG 2.88Å; S59-S62 PolarHBondContact OG-N 3.27Å
60	K	47.5	Very low	64.4	Low	193 Å²	193	79.4 Å²	79.4	84%	0.839	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-12.7	169.3	-74.1	-175.6	176.7	-180	0	112.4
61	E	42.1	Very low	65.7	Low	173 Å²	173	79 Å²	79	81%	0.808	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	6.4	180	-61.7	174.1	170.8	0	0	113.9	S59 K63	S59-E61 PolarHBondContact O-N 3.41Å; S59-E61 PolarHBondContact OG-N 3.17Å; E61-K63 PolarHBondContact O-N 3.39Å; E61-K63 VanDerWaalsContact O-N 3.17Å
62	S	48.4	Very low	66.6	Low	36 Å²	36	81.8 Å²	81.8	25%	0.252	44%	0.436	S	S	.	.			trans	-62.3	120.9	-175.5	55.5	0	0	0	0	110.8	S59 V64	S59-S62 WeakPolarHBondContact O-CB 3.35Å; S59-S62 PolarHBondContact O-N 3.11Å; S59-S62 PolarHBondContact O-OG 2.88Å; S59-S62 PolarHBondContact OG-N 3.27Å; S62-V64 PolarHBondContact O-N 2.96Å
63	K	43.3	Very low	67.7	Low	208 Å²	208	85.9 Å²	85.9	90%	0.904	46%	0.461	S	S	*	.	S	Bend	trans	-62.9	-7	-175.5	-75.8	-175	177.6	179.8	0	115.8	E61 S65	E61-K63 PolarHBondContact O-N 3.39Å; E61-K63 VanDerWaalsContact O-N 3.17Å; K63-S65 PolarHBondContact O-N 3.46Å
64	V	54.8	Low	68.9	Low	63 Å²	63	90.1 Å²	90.1	38%	0.382	49%	0.489	S	S	.	.			trans	-82.2	103.9	178.5	-179.7	0	0	0	0	107.6	S62 M184	S62-V64 PolarHBondContact O-N 2.96Å; V64-M184 HydrophobicContact CB-CE 3.5Å; V64-M184 HydrophobicContact CG1-CE 3.53Å; V64-M184 HydrophobicContact CG1-SD 4.34Å; V64-M184 VanDerWaalsContact O-CE 3.23Å; V64-M184 WeakPolarHBondContact O-CE 3.45Å
65	S	66	Low	70.3	Confident	83 Å²	83	87 Å²	87	58%	0.58	48%	0.476	S	S	*	.			trans	-85.8	138.2	172.1	51.9	0	0	0	0	110.1	K63 S67	K63-S65 PolarHBondContact O-N 3.46Å; S65-S67 PolarHBondContact O-N 3.23Å
66	L	77.7	Confident	71.9	Confident	30 Å²	30	88.3 Å²	88.3	16%	0.157	48%	0.479	C	S	.	.			trans	-63.8	105.2	165.8	-66.5	174.5	0	0	0	107.3	E99 V181 M184 I185	L66-E99 HydrophobicContact CD1-CG 4.1Å; L66-E99 WeakPolarHBondContact CD1-OE1 3.33Å; L66-V181 HydrophobicContact CD2-CG1 3.98Å; L66-M184 HydrophobicContact CD2-CB 4.34Å; L66-M184 HydrophobicContact CD2-CG 4.02Å; L66-M184 HydrophobicContact CD2-SD 3.74Å; L66-M184 HydrophobicContact CG-CG 4.4Å; L66-M184 HydrophobicContact CG-SD 3.82Å; L66-I185 HydrophobicContact CD1-CG1 4.41Å; L66-I185 HydrophobicContact CD2-CD1 4.35Å; L66-I185 HydrophobicContact CD2-CG1 3.76Å
67	S	85.1	Confident	73.6	Confident	60 Å²	60	90.9 Å²	90.9	42%	0.42	49%	0.49	S	S	.	.			trans	-86.3	119.9	176.8	-62.8	0	0	0	0	108	S65 F69 C103	S65-S67 PolarHBondContact O-N 3.23Å; S67-F69 WeakPolarHBondContact O-CD2 3.11Å; S67-F69 WeakPolarHBondContact O-CE2 3.45Å; S67-C103 WeakPolarHBondContact O-CA 3.31Å
68	H	90.9	Very high	75.7	Confident	114 Å²	114	87.9 Å²	87.9	53%	0.528	47%	0.468	S	S	.	.			trans	-90.1	132.8	174.8	-63.7	157.8	0	0	0	110	E99	H68-E99 IonicContact CD2-OE1 3.05Å; H68-E99 IonicContact CE1-OE1 3.04Å; H68-E99 IonicContact NE2-OE1 3.29Å; H68-E99 PolarHBondContact NE2-OE1 2.83Å; H68-E99 IonicContact NE2-OE2 3.53Å
69	F	92.2	Very high	77.9	Confident	83 Å²	83	83.6 Å²	83.6	36%	0.364	45%	0.451	S	S	.	.			trans	-110.9	126.9	178.3	-59	-89.3	0	0	0	109.3	S67 K71 E102 C103 Y105	S67-F69 WeakPolarHBondContact O-CD2 3.11Å; S67-F69 WeakPolarHBondContact O-CE2 3.45Å; F69-K71 WeakPolarHBondContact O-CG 3.28Å; F69-K71 PolarHBondContact O-N 3.47Å; F69-K71 PolarHBondContact O-NZ 2.92Å; F69-E102 PolarHBondContact N-O 2.75Å; F69-C103 VanDerWaalsContact CD2-O 3.22Å; F69-C103 WeakPolarHBondContact CD2-O 3.35Å; F69-C103 VanDerWaalsContact CE2-O 3.27Å; F69-C103 WeakPolarHBondContact CE2-O 3.19Å; F69-Y105 HydrophobicContact CE2-CD1 4.22Å; F69-Y105 HydrophobicContact CE2-CG 4.48Å; F69-Y105 HydrophobicContact CZ-CD1 4.34Å; F69-Y105 HydrophobicContact CZ-CG 4.4Å
70	T	90.9	Very high	80.1	Confident	147 Å²	147	84.7 Å²	84.7	90%	0.902	45%	0.447	S	S	*	.			trans	-61.1	133.4	176.5	-49.7	0	0	0	0	110.5
71	K	93.3	Very high	82.3	Confident	18 Å²	18	78.1 Å²	78.1	8%	0.078	42%	0.421	C	S	.	.			trans	-139.6	150.5	180	-61.9	178	-167.3	71.5	0	110.3	F69 A75 K76 I79 V101 E102 A104 W175	F69-K71 WeakPolarHBondContact O-CG 3.28Å; F69-K71 PolarHBondContact O-N 3.47Å; F69-K71 PolarHBondContact O-NZ 2.92Å; K71-A75 HydrophobicContact CB-CB 4.19Å; K71-K76 HydrophobicContact CB-CG 3.82Å; K71-K76 HydrophobicContact CD-CG 4.45Å; K71-I79 HydrophobicContact CD-CD1 3.55Å; K71-V101 WeakPolarHBondContact CE-O 3.45Å; K71-V101 PolarHBondContact NZ-O 3.33Å; K71-E102 PolarHBondContact NZ-O 3.44Å; K71-A104 WeakPolarHBondContact CE-O 3.38Å; K71-A104 PolarHBondContact NZ-O 3.46Å; K71-W175 HydrophobicContact CB-CH2 4.4Å; K71-W175 HydrophobicContact CD-CE3 4.02Å; K71-W175 HydrophobicContact CD-CH2 3.82Å; K71-W175 HydrophobicContact CD-CZ2 4.35Å; K71-W175 HydrophobicContact CD-CZ3 3.62Å; K71-W175 HydrophobicContact CG-CH2 3.63Å; K71-W175 HydrophobicContact CG-CZ2 4.42Å; K71-W175 HydrophobicContact CG-CZ3 3.71Å
72	S	93.3	Very high	84.8	Confident	66 Å²	66	70 Å²	70	46%	0.462	38%	0.383	S	S	.	.			trans	-66.4	152	171	69.1	0	0	0	0	110.9	P74 A75 K76	S72-P74 VanDerWaalsContact C-CD 3.48Å; S72-P74 VanDerWaalsContact C-N 3.32Å; S72-A75 WeakPolarHBondContact O-CB 3.34Å; S72-A75 PolarHBondContact O-N 3.44Å; S72-A75 WeakPolarHBondContact OG-CB 3.45Å; S72-A75 PolarHBondContact OG-N 3.26Å; S72-K76 PolarHBondContact O-N 3.4Å
73	P	93.3	Very high	86.8	Confident	107 Å²	107	68.4 Å²	68.4	70%	0.695	37%	0.372	S	S	*	.	H	α-helix	trans	-53.1	-40.7	175.3	-24	32.1	0	0	0	114.1	A75 K76 H77	P73-A75 PolarHBondContact O-N 2.92Å; P73-K76 PolarHBondContact O-N 3.34Å; P73-H77 PolarHBondContact O-N 2.99Å
74	P	93.8	Very high	89.1	Confident	95 Å²	95	62.7 Å²	62.7	62%	0.617	35%	0.351	S	S	*	.	H	α-helix	trans	-60.8	-40.2	173.6	-25.5	35.7	0	0	0	113.7	S72 H77 L78	S72-P74 VanDerWaalsContact C-CD 3.48Å; S72-P74 VanDerWaalsContact C-N 3.32Å; P74-H77 PolarHBondContact O-N 3.44Å; P74-L78 WeakPolarHBondContact O-CB 3.3Å; P74-L78 PolarHBondContact O-N 3.34Å
75	A	94.1	Very high	90.8	Very high	13 Å²	13	65.8 Å²	65.8	11%	0.107	36%	0.361	C	S	.	.	H	α-helix	trans	-65.2	-43.8	177	0	0	0	0	0	111.7	K71 S72 P73 H77 L78 I79 W175	K71-A75 HydrophobicContact CB-CB 4.19Å; S72-A75 WeakPolarHBondContact O-CB 3.34Å; S72-A75 PolarHBondContact O-N 3.44Å; S72-A75 WeakPolarHBondContact OG-CB 3.45Å; S72-A75 PolarHBondContact OG-N 3.26Å; P73-A75 PolarHBondContact O-N 2.92Å; A75-H77 VanDerWaalsContact C-N 3.3Å; A75-H77 PolarHBondContact O-N 2.8Å; A75-L78 PolarHBondContact O-N 3.03Å; A75-I79 WeakPolarHBondContact O-CD1 3.5Å; A75-I79 VanDerWaalsContact O-CG1 3.31Å; A75-I79 WeakPolarHBondContact O-CG1 3.44Å; A75-I79 PolarHBondContact O-N 3.38Å; A75-W175 HydrophobicContact CB-CH2 4.33Å; A75-W175 HydrophobicContact CB-CZ2 3.53Å
76	K	95.4	Very high	91.9	Very high	56 Å²	56	62.8 Å²	62.8	24%	0.243	34%	0.338	C	S	.	.	H	α-helix	trans	-59.4	-41.9	174.7	-66.4	-169.1	177.4	-160.6	0	111.8	K71 S72 P73 R80 V101 E102	K71-K76 HydrophobicContact CB-CG 3.82Å; K71-K76 HydrophobicContact CD-CG 4.45Å; S72-K76 PolarHBondContact O-N 3.4Å; P73-K76 PolarHBondContact O-N 3.34Å; K76-R80 WeakPolarHBondContact O-CB 3.45Å; K76-R80 PolarHBondContact O-N 3.45Å; K76-R80 VanDerWaalsContact O-N 3.09Å; K76-R80 PolarHBondContact O-NH1 3.05Å; K76-V101 HydrophobicContact CB-CG1 3.77Å; K76-V101 HydrophobicContact CD-CG1 4.46Å; K76-V101 HydrophobicContact CG-CG1 3.89Å; K76-E102 VanDerWaalsContact CE-OE1 3.31Å; K76-E102 WeakPolarHBondContact CE-OE1 3.5Å; K76-E102 WeakPolarHBondContact CE-OE2 3.4Å; K76-E102 IonicContact NZ-OE1 3.37Å; K76-E102 PolarHBondContact NZ-OE1 2.95Å; K76-E102 IonicContact NZ-OE2 2.8Å; K76-E102 PolarHBondContact NZ-OE2 3.2Å
77	H	94.5	Very high	92.1	Very high	108 Å²	108	65.4 Å²	65.4	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-41.9	177.5	-169.5	68.5	0	0	0	112.1	P73 P74 A75 R80 N81	P73-H77 PolarHBondContact O-N 2.99Å; P74-H77 PolarHBondContact O-N 3.44Å; A75-H77 VanDerWaalsContact C-N 3.3Å; A75-H77 PolarHBondContact O-N 2.8Å; H77-R80 PolarHBondContact O-N 3.4Å; H77-N81 PolarHBondContact CD2-ND2 2.93Å; H77-N81 PolarHBondContact CE1-ND2 2.78Å; H77-N81 PolarHBondContact NE2-ND2 3.04Å; H77-N81 WeakPolarHBondContact O-CB 3.25Å; H77-N81 VanDerWaalsContact O-CG 3.22Å; H77-N81 PolarHBondContact O-N 2.85Å
78	L	95.3	Very high	91.9	Very high	46 Å²	46	62.6 Å²	62.6	24%	0.241	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-48.6	176.3	-176.7	153.1	0	0	0	111.9	P74 A75 N81 A82 V127 A129	P74-L78 WeakPolarHBondContact O-CB 3.3Å; P74-L78 PolarHBondContact O-N 3.34Å; A75-L78 PolarHBondContact O-N 3.03Å; L78-N81 PolarHBondContact O-N 2.99Å; L78-A82 WeakPolarHBondContact O-CB 3.39Å; L78-A82 PolarHBondContact O-N 2.79Å; L78-V127 HydrophobicContact CD2-CG1 3.85Å; L78-A129 HydrophobicContact CD2-CB 4.41Å
79	I	94.5	Very high	91.7	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-48.7	179.9	-60.2	159.2	0	0	0	110.1	K71 A75 N81 A82 I83 V101 A104 V127 W175	K71-I79 HydrophobicContact CD-CD1 3.55Å; A75-I79 WeakPolarHBondContact O-CD1 3.5Å; A75-I79 VanDerWaalsContact O-CG1 3.31Å; A75-I79 WeakPolarHBondContact O-CG1 3.44Å; A75-I79 PolarHBondContact O-N 3.38Å; I79-N81 PolarHBondContact O-N 2.92Å; I79-A82 PolarHBondContact O-N 3.34Å; I79-I83 HydrophobicContact CG2-CD1 3.85Å; I79-I83 HydrophobicContact CG2-CG1 4.44Å; I79-I83 WeakPolarHBondContact O-CG1 3.45Å; I79-I83 PolarHBondContact O-N 3.45Å; I79-V101 HydrophobicContact CB-CG2 4.14Å; I79-V101 HydrophobicContact CD1-CG1 4.47Å; I79-V101 HydrophobicContact CG2-CB 4.45Å; I79-V101 HydrophobicContact CG2-CG2 3.81Å; I79-A104 HydrophobicContact CD1-CB 4.3Å; I79-V127 HydrophobicContact CG2-CG2 4.46Å; I79-W175 HydrophobicContact CD1-CB 4.2Å; I79-W175 HydrophobicContact CD1-CD2 3.57Å; I79-W175 HydrophobicContact CD1-CE3 4.04Å; I79-W175 HydrophobicContact CD1-CG 3.61Å; I79-W175 HydrophobicContact CG1-CB 4.06Å; I79-W175 VanDerWaalsContact CG1-CD1 3.46Å; I79-W175 HydrophobicContact CG1-CD2 4.06Å; I79-W175 HydrophobicContact CG1-CG 3.57Å
80	R	95.4	Very high	91.5	Very high	77 Å²	77	58.6 Å²	58.6	29%	0.291	31%	0.311	S	S	.	.	H	α-helix	trans	-58.5	-47.7	179.5	-174.3	179.4	-66.1	97.8	-2.5	111.8	K76 H77 A82 I83 L84 V97 V101	K76-R80 WeakPolarHBondContact O-CB 3.45Å; K76-R80 PolarHBondContact O-N 3.45Å; K76-R80 VanDerWaalsContact O-N 3.09Å; K76-R80 PolarHBondContact O-NH1 3.05Å; H77-R80 PolarHBondContact O-N 3.4Å; R80-A82 VanDerWaalsContact C-N 3.33Å; R80-A82 PolarHBondContact O-N 2.85Å; R80-I83 PolarHBondContact O-N 2.81Å; R80-L84 HydrophobicContact CG-CD1 4Å; R80-L84 HydrophobicContact CG-CG 4.5Å; R80-L84 WeakPolarHBondContact O-CG 3.4Å; R80-L84 PolarHBondContact O-N 3.2Å; R80-V97 HydrophobicContact CG-CG1 4.01Å; R80-V101 HydrophobicContact CB-CG2 4.01Å
81	N	94.1	Very high	91.1	Very high	55 Å²	55	54 Å²	54	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-39.5	179.1	-71.4	-8	0	0	0	111.8	H77 L78 I79 I83 L84 Q85	H77-N81 PolarHBondContact CD2-ND2 2.93Å; H77-N81 PolarHBondContact CE1-ND2 2.78Å; H77-N81 PolarHBondContact NE2-ND2 3.04Å; H77-N81 WeakPolarHBondContact O-CB 3.25Å; H77-N81 VanDerWaalsContact O-CG 3.22Å; H77-N81 PolarHBondContact O-N 2.85Å; L78-N81 PolarHBondContact O-N 2.99Å; I79-N81 PolarHBondContact O-N 2.92Å; N81-I83 VanDerWaalsContact C-N 3.35Å; N81-L84 PolarHBondContact O-N 2.9Å; N81-Q85 VanDerWaalsContact O-CB 3.32Å; N81-Q85 WeakPolarHBondContact O-CB 3.3Å; N81-Q85 VanDerWaalsContact O-CG 3.23Å; N81-Q85 WeakPolarHBondContact O-CG 3.23Å; N81-Q85 PolarHBondContact O-N 2.84Å
82	A	93.6	Very high	90.7	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-42.8	176.9	0	0	0	0	0	111.6	L78 I79 R80 Q85 N86 V127 G148 V150	L78-A82 WeakPolarHBondContact O-CB 3.39Å; L78-A82 PolarHBondContact O-N 2.79Å; I79-A82 PolarHBondContact O-N 3.34Å; R80-A82 VanDerWaalsContact C-N 3.33Å; R80-A82 PolarHBondContact O-N 2.85Å; A82-Q85 PolarHBondContact O-N 2.83Å; A82-N86 PolarHBondContact O-N 3.25Å; A82-V127 HydrophobicContact CB-CG1 3.36Å; A82-G148 VanDerWaalsContact CB-O 3.3Å; A82-G148 WeakPolarHBondContact CB-O 3.35Å; A82-V150 VanDerWaalsContact C-CG2 3.45Å; A82-V150 HydrophobicContact CB-CG2 3.76Å; A82-V150 WeakPolarHBondContact O-CG2 3.22Å
83	I	91.6	Very high	90.1	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-49.1	175.1	-68.9	173.1	0	0	0	110.8	I79 R80 N81 Q85 N86 L89 R90 V97 M100 V101	I79-I83 HydrophobicContact CG2-CD1 3.85Å; I79-I83 HydrophobicContact CG2-CG1 4.44Å; I79-I83 WeakPolarHBondContact O-CG1 3.45Å; I79-I83 PolarHBondContact O-N 3.45Å; R80-I83 PolarHBondContact O-N 2.81Å; N81-I83 VanDerWaalsContact C-N 3.35Å; I83-Q85 VanDerWaalsContact C-N 3.29Å; I83-Q85 PolarHBondContact O-N 2.78Å; I83-N86 PolarHBondContact O-N 3.39Å; I83-N86 VanDerWaalsContact O-N 3.17Å; I83-L89 HydrophobicContact CG1-CD1 4.26Å; I83-L89 HydrophobicContact CG2-CB 3.79Å; I83-L89 HydrophobicContact CG2-CD1 4.39Å; I83-R90 PolarHBondContact O-N 3.17Å; I83-V97 HydrophobicContact CB-CG1 4.41Å; I83-V97 HydrophobicContact CD1-CG1 4.38Å; I83-V97 HydrophobicContact CG2-CG1 3.96Å; I83-V97 HydrophobicContact CG2-CG2 3.9Å; I83-M100 HydrophobicContact CD1-CB 4.13Å; I83-M100 HydrophobicContact CD1-CE 4.07Å; I83-V101 HydrophobicContact CD1-CG2 4.42Å
84	L	91.3	Very high	89.7	Confident	88 Å²	88	57.7 Å²	57.7	46%	0.461	27%	0.272	S	S	.	.	H	α-helix	trans	-69.6	-22.7	-178.6	-67.1	175.4	0	0	0	113.8	R80 N81 R90	R80-L84 HydrophobicContact CG-CD1 4Å; R80-L84 HydrophobicContact CG-CG 4.5Å; R80-L84 WeakPolarHBondContact O-CG 3.4Å; R80-L84 PolarHBondContact O-N 3.2Å; N81-L84 PolarHBondContact O-N 2.9Å; L84-R90 VanDerWaalsContact O-CB 3.31Å; L84-R90 WeakPolarHBondContact O-CB 3.17Å
85	Q	89.9	Confident	89.3	Confident	128 Å²	128	58.8 Å²	58.8	60%	0.598	27%	0.269	S	S	*	.	H	α-helix	trans	-86	-14	174	-73.5	179.8	12.1	0	0	113.3	N81 A82 I83	N81-Q85 VanDerWaalsContact O-CB 3.32Å; N81-Q85 WeakPolarHBondContact O-CB 3.3Å; N81-Q85 VanDerWaalsContact O-CG 3.23Å; N81-Q85 WeakPolarHBondContact O-CG 3.23Å; N81-Q85 PolarHBondContact O-N 2.84Å; A82-Q85 PolarHBondContact O-N 2.83Å; I83-Q85 VanDerWaalsContact C-N 3.29Å; I83-Q85 PolarHBondContact O-N 2.78Å
86	N	88.9	Confident	89	Confident	20 Å²	20	58.4 Å²	58.4	11%	0.107	27%	0.265	C	S	.	.	S	Bend	trans	-77.6	131.6	178	178.8	-87.5	0	0	0	110.3	A82 I83 F88 L89 R90 V150 E153	A82-N86 PolarHBondContact O-N 3.25Å; I83-N86 PolarHBondContact O-N 3.39Å; I83-N86 VanDerWaalsContact O-N 3.17Å; N86-F88 PolarHBondContact O-N 2.98Å; N86-F88 VanDerWaalsContact O-N 3.17Å; N86-F88 WeakPolarHBondContact OD1-CA 3.32Å; N86-F88 WeakPolarHBondContact OD1-CB 3.3Å; N86-F88 PolarHBondContact OD1-N 2.99Å; N86-L89 HydrophobicContact CB-CB 4.2Å; N86-L89 HydrophobicContact CB-CD1 4.4Å; N86-L89 HydrophobicContact CB-CG 4.41Å; N86-L89 PolarHBondContact O-N 3.17Å; N86-L89 PolarHBondContact OD1-N 3.36Å; N86-R90 VanDerWaalsContact O-CB 3.28Å; N86-R90 WeakPolarHBondContact O-CB 3.44Å; N86-R90 WeakPolarHBondContact O-CG 3.5Å; N86-R90 PolarHBondContact O-N 3.18Å; N86-R90 VanDerWaalsContact O-N 3.11Å; N86-V150 HydrophobicContact CB-CB 4.16Å; N86-V150 HydrophobicContact CB-CG2 4.12Å; N86-E153 PolarHBondContact ND2-OE1 2.87Å
87	D	82.1	Confident	88.8	Confident	85 Å²	85	56 Å²	56	46%	0.455	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.2	-175.8	-74.9	-29.1	0	0	0	113.4	H91 T560	D87-H91 PolarHBondContact O-CE1 2.93Å; D87-H91 PolarHBondContact O-ND1 3.45Å; D87-T560 HydrophobicContact CB-CG2 3.75Å
88	F	82.7	Confident	88.7	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.009	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-57.3	177.2	167.2	-110.4	0	0	0	111.2	N86 R90 H91 E153 L157 F182 I522 L523 M556 L563	N86-F88 PolarHBondContact O-N 2.98Å; N86-F88 VanDerWaalsContact O-N 3.17Å; N86-F88 WeakPolarHBondContact OD1-CA 3.32Å; N86-F88 WeakPolarHBondContact OD1-CB 3.3Å; N86-F88 PolarHBondContact OD1-N 2.99Å; F88-R90 VanDerWaalsContact C-N 3.3Å; F88-R90 PolarHBondContact O-N 3.31Å; F88-H91 PolarHBondContact O-N 2.97Å; F88-H91 PolarHBondContact O-ND1 2.96Å; F88-E153 HydrophobicContact CD1-CB 4.29Å; F88-L157 HydrophobicContact CE1-CD2 4.18Å; F88-L157 HydrophobicContact CE2-CD1 4.33Å; F88-L157 HydrophobicContact CE2-CD2 3.8Å; F88-L157 HydrophobicContact CE2-CG 4.49Å; F88-L157 HydrophobicContact CZ-CD1 4.43Å; F88-L157 HydrophobicContact CZ-CD2 3.38Å; F88-L157 HydrophobicContact CZ-CG 4.14Å; F88-F182 HydrophobicContact CE1-CZ 4.25Å; F88-F182 HydrophobicContact CZ-CZ 4.37Å; F88-I522 HydrophobicContact CD2-CG2 4.1Å; F88-I522 HydrophobicContact CE2-CG2 3.66Å; F88-I522 WeakPolarHBondContact CE2-O 3.34Å; F88-L523 HydrophobicContact CE2-CD2 4.34Å; F88-M556 HydrophobicContact CB-CE 3.92Å; F88-M556 HydrophobicContact CD1-CE 3.92Å; F88-M556 HydrophobicContact CD2-CE 4.22Å; F88-M556 HydrophobicContact CG-CE 3.74Å; F88-L563 HydrophobicContact CD2-CD1 3.72Å; F88-L563 HydrophobicContact CE2-CD1 4.31Å
89	L	85.5	Confident	88.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-71.6	-17.6	-169.4	-58.7	174.1	0	0	0	114.9	I83 N86 H91 L92 M100 L125 V150 F182	I83-L89 HydrophobicContact CG1-CD1 4.26Å; I83-L89 HydrophobicContact CG2-CB 3.79Å; I83-L89 HydrophobicContact CG2-CD1 4.39Å; N86-L89 HydrophobicContact CB-CB 4.2Å; N86-L89 HydrophobicContact CB-CD1 4.4Å; N86-L89 HydrophobicContact CB-CG 4.41Å; N86-L89 PolarHBondContact O-N 3.17Å; N86-L89 PolarHBondContact OD1-N 3.36Å; L89-H91 PolarHBondContact O-N 3.38Å; L89-H91 VanDerWaalsContact O-N 3.11Å; L89-L92 HydrophobicContact CB-CD1 4.24Å; L89-L92 HydrophobicContact CD2-CD1 3.86Å; L89-L92 WeakPolarHBondContact O-CB 3.37Å; L89-L92 WeakPolarHBondContact O-CG 3.28Å; L89-L92 PolarHBondContact O-N 3.09Å; L89-M100 HydrophobicContact CD1-CE 4.48Å; L89-M100 HydrophobicContact CD2-CE 4.3Å; L89-L125 HydrophobicContact CD1-CD1 4.35Å; L89-L125 HydrophobicContact CD1-CD2 3.82Å; L89-V150 HydrophobicContact CD1-CG1 3.78Å; L89-V150 HydrophobicContact CD1-CG2 4.47Å; L89-F182 HydrophobicContact CD2-CE2 3.99Å; L89-F182 HydrophobicContact CD2-CZ 4.48Å
90	R	87.3	Confident	88.3	Confident	113 Å²	113	52.8 Å²	52.8	43%	0.426	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-61.5	-16.8	177.2	71.4	-177.7	-166.2	-179.9	5.4	114.5	I83 L84 N86 F88 L92	I83-R90 PolarHBondContact O-N 3.17Å; L84-R90 VanDerWaalsContact O-CB 3.31Å; L84-R90 WeakPolarHBondContact O-CB 3.17Å; N86-R90 VanDerWaalsContact O-CB 3.28Å; N86-R90 WeakPolarHBondContact O-CB 3.44Å; N86-R90 WeakPolarHBondContact O-CG 3.5Å; N86-R90 PolarHBondContact O-N 3.18Å; N86-R90 VanDerWaalsContact O-N 3.11Å; F88-R90 VanDerWaalsContact C-N 3.3Å; F88-R90 PolarHBondContact O-N 3.31Å; R90-L92 VanDerWaalsContact C-N 3.33Å
91	H	84	Confident	88.2	Confident	49 Å²	49	49.1 Å²	49.1	23%	0.227	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-89.3	2.7	-178.7	-55	102.3	0	0	0	113.1	D87 F88 L89 L523	D87-H91 PolarHBondContact O-CE1 2.93Å; D87-H91 PolarHBondContact O-ND1 3.45Å; F88-H91 PolarHBondContact O-N 2.97Å; F88-H91 PolarHBondContact O-ND1 2.96Å; L89-H91 PolarHBondContact O-N 3.38Å; L89-H91 VanDerWaalsContact O-N 3.11Å; H91-L523 HydrophobicContact CB-CD1 4.16Å; H91-L523 HydrophobicContact CB-CD2 3.58Å
92	L	83.8	Confident	88.2	Confident	11 Å²	11	48.3 Å²	48.3	6%	0.058	23%	0.225	C	C	.	.	S	Bend	trans	-79.7	149.3	174.4	-62.4	173.7	0	0	0	111.2	L89 R90 Q96 V97 M100 F182 T186	L89-L92 HydrophobicContact CB-CD1 4.24Å; L89-L92 HydrophobicContact CD2-CD1 3.86Å; L89-L92 WeakPolarHBondContact O-CB 3.37Å; L89-L92 WeakPolarHBondContact O-CG 3.28Å; L89-L92 PolarHBondContact O-N 3.09Å; R90-L92 VanDerWaalsContact C-N 3.33Å; L92-Q96 HydrophobicContact CB-CB 4.38Å; L92-V97 HydrophobicContact CB-CG2 4Å; L92-M100 HydrophobicContact CD1-CE 4.24Å; L92-M100 HydrophobicContact CD1-SD 3.61Å; L92-F182 HydrophobicContact CD1-CE2 3.93Å; L92-T186 HydrophobicContact CD2-CG2 4.01Å
93	D	81.7	Confident	88.3	Confident	40 Å²	40	48.4 Å²	48.4	21%	0.214	23%	0.225	C	C	.	.			trans	-68.2	155.1	-180	-61.3	-14.8	0	0	0	110.8	E95 Q96 V97 R193 K525	D93-E95 VanDerWaalsContact C-N 3.26Å; D93-E95 PolarHBondContact O-N 3.4Å; D93-Q96 HydrophobicContact CB-CG 4.25Å; D93-Q96 WeakPolarHBondContact O-CB 3.49Å; D93-Q96 PolarHBondContact O-N 2.76Å; D93-V97 PolarHBondContact O-N 2.75Å; D93-R193 IonicContact OD2-NH1 3.95Å; D93-R193 PolarHBondContact OD2-NH1 3.24Å; D93-K525 IonicContact OD1-NZ 3.95Å
94	R	85	Confident	88.4	Confident	218 Å²	218	48.4 Å²	48.4	82%	0.823	23%	0.226	S	C	*	.	H	α-helix	trans	-59.1	-37.7	-173.7	-72.5	-175.7	175.4	-175.1	2.1	112.6	V97 S98	R94-V97 PolarHBondContact O-N 2.66Å; R94-S98 WeakPolarHBondContact O-CB 3.31Å; R94-S98 PolarHBondContact O-N 2.76Å
95	E	84.9	Confident	88.6	Confident	119 Å²	119	46.8 Å²	46.8	56%	0.556	21%	0.214	S	C	*	.	H	α-helix	trans	-65.8	-42.6	178.2	-62.5	69.2	-149.5	0	0	110.7	D93 S98 E99 L189	D93-E95 VanDerWaalsContact C-N 3.26Å; D93-E95 PolarHBondContact O-N 3.4Å; E95-S98 PolarHBondContact O-N 2.91Å; E95-E99 WeakPolarHBondContact O-CB 3.45Å; E95-E99 PolarHBondContact O-N 2.93Å; E95-L189 HydrophobicContact CB-CD1 4.37Å
96	Q	88	Confident	88.8	Confident	5 Å²	5	45 Å²	45	2%	0.023	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-46.2	176.3	-64	175.1	-30.4	0	0	110.7	L92 D93 S98 E99 M100 I185 L189	L92-Q96 HydrophobicContact CB-CB 4.38Å; D93-Q96 HydrophobicContact CB-CG 4.25Å; D93-Q96 WeakPolarHBondContact O-CB 3.49Å; D93-Q96 PolarHBondContact O-N 2.76Å; Q96-S98 VanDerWaalsContact C-N 3.31Å; Q96-S98 PolarHBondContact O-N 2.81Å; Q96-E99 PolarHBondContact O-N 2.8Å; Q96-M100 VanDerWaalsContact O-CG 3.24Å; Q96-M100 WeakPolarHBondContact O-CG 3.31Å; Q96-M100 PolarHBondContact O-N 2.93Å; Q96-I185 HydrophobicContact CB-CG2 4.08Å; Q96-I185 HydrophobicContact CG-CG2 4.4Å; Q96-L189 HydrophobicContact CG-CB 4.44Å; Q96-L189 HydrophobicContact CG-CD1 4.02Å
97	V	90.7	Very high	89.1	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.03	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-42.1	176.4	175.8	0	0	0	0	110.9	R80 I83 L92 D93 R94 M100 V101	R80-V97 HydrophobicContact CG-CG1 4.01Å; I83-V97 HydrophobicContact CB-CG1 4.41Å; I83-V97 HydrophobicContact CD1-CG1 4.38Å; I83-V97 HydrophobicContact CG2-CG1 3.96Å; I83-V97 HydrophobicContact CG2-CG2 3.9Å; L92-V97 HydrophobicContact CB-CG2 4Å; D93-V97 PolarHBondContact O-N 2.75Å; R94-V97 PolarHBondContact O-N 2.66Å; V97-M100 PolarHBondContact O-N 2.75Å; V97-V101 VanDerWaalsContact O-CG2 3.24Å; V97-V101 WeakPolarHBondContact O-CG2 3.36Å; V97-V101 PolarHBondContact O-N 3.36Å
98	S	91.5	Very high	89.8	Confident	47 Å²	47	49.6 Å²	49.6	33%	0.329	22%	0.223	S	C	.	.	H	α-helix	trans	-61.6	-47.4	177.8	-166	0	0	0	0	111.6	R94 E95 Q96 M100 V101 E102	R94-S98 WeakPolarHBondContact O-CB 3.31Å; R94-S98 PolarHBondContact O-N 2.76Å; E95-S98 PolarHBondContact O-N 2.91Å; Q96-S98 VanDerWaalsContact C-N 3.31Å; Q96-S98 PolarHBondContact O-N 2.81Å; S98-M100 VanDerWaalsContact C-N 3.33Å; S98-M100 PolarHBondContact O-N 2.93Å; S98-V101 WeakPolarHBondContact O-CB 3.36Å; S98-V101 PolarHBondContact O-N 3.39Å; S98-V101 VanDerWaalsContact O-N 3.14Å; S98-E102 PolarHBondContact O-N 2.97Å
99	E	90.5	Very high	90.4	Very high	39 Å²	39	49.7 Å²	49.7	18%	0.182	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-38.9	179.1	-164.5	63.8	-163.8	0	0	111.7	L66 H68 E95 Q96 V101 E102 C103 I185 L189	L66-E99 HydrophobicContact CD1-CG 4.1Å; L66-E99 WeakPolarHBondContact CD1-OE1 3.33Å; H68-E99 IonicContact CD2-OE1 3.05Å; H68-E99 IonicContact CE1-OE1 3.04Å; H68-E99 IonicContact NE2-OE1 3.29Å; H68-E99 PolarHBondContact NE2-OE1 2.83Å; H68-E99 IonicContact NE2-OE2 3.53Å; E95-E99 WeakPolarHBondContact O-CB 3.45Å; E95-E99 PolarHBondContact O-N 2.93Å; Q96-E99 PolarHBondContact O-N 2.8Å; E99-V101 VanDerWaalsContact C-N 3.3Å; E99-V101 PolarHBondContact O-N 3.09Å; E99-E102 PolarHBondContact O-N 3.13Å; E99-C103 WeakPolarHBondContact O-CB 3.16Å; E99-C103 PolarHBondContact O-N 2.71Å; E99-I185 HydrophobicContact CB-CD1 4.13Å; E99-I185 HydrophobicContact CB-CG1 4.23Å; E99-I185 HydrophobicContact CB-CG2 3.89Å; E99-I185 HydrophobicContact CG-CD1 3.82Å; E99-I185 HydrophobicContact CG-CG1 3.68Å; E99-I185 HydrophobicContact CG-CG2 4.17Å; E99-L189 HydrophobicContact CB-CD1 4.28Å
100	M	91.7	Very high	90.9	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-38.5	174	-72	172.6	67.6	0	0	112	I83 L89 L92 Q96 V97 S98 C103 A104 L125 L177 F182 I185	I83-M100 HydrophobicContact CD1-CB 4.13Å; I83-M100 HydrophobicContact CD1-CE 4.07Å; L89-M100 HydrophobicContact CD1-CE 4.48Å; L89-M100 HydrophobicContact CD2-CE 4.3Å; L92-M100 HydrophobicContact CD1-CE 4.24Å; L92-M100 HydrophobicContact CD1-SD 3.61Å; Q96-M100 VanDerWaalsContact O-CG 3.24Å; Q96-M100 WeakPolarHBondContact O-CG 3.31Å; Q96-M100 PolarHBondContact O-N 2.93Å; V97-M100 PolarHBondContact O-N 2.75Å; S98-M100 VanDerWaalsContact C-N 3.33Å; S98-M100 PolarHBondContact O-N 2.93Å; M100-C103 PolarHBondContact O-N 2.78Å; M100-A104 PolarHBondContact O-N 2.72Å; M100-L125 HydrophobicContact CE-CD2 4.19Å; M100-L177 HydrophobicContact CB-CD2 4.15Å; M100-L177 HydrophobicContact CE-CD2 3.51Å; M100-L177 HydrophobicContact CG-CD2 3.79Å; M100-L177 HydrophobicContact SD-CD2 4.37Å; M100-F182 HydrophobicContact CE-CD2 3.77Å; M100-F182 HydrophobicContact CE-CE2 4.02Å; M100-F182 HydrophobicContact SD-CD2 4.03Å; M100-F182 HydrophobicContact SD-CE2 4.16Å; M100-I185 HydrophobicContact CB-CD1 4.45Å; M100-I185 HydrophobicContact CG-CD1 3.83Å; M100-I185 HydrophobicContact CG-CG2 4.25Å
101	V	94.4	Very high	91.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65	-40.9	175.8	171.7	0	0	0	0	110.9	K71 K76 I79 R80 I83 V97 S98 E99	K71-V101 WeakPolarHBondContact CE-O 3.45Å; K71-V101 PolarHBondContact NZ-O 3.33Å; K76-V101 HydrophobicContact CB-CG1 3.77Å; K76-V101 HydrophobicContact CD-CG1 4.46Å; K76-V101 HydrophobicContact CG-CG1 3.89Å; I79-V101 HydrophobicContact CB-CG2 4.14Å; I79-V101 HydrophobicContact CD1-CG1 4.47Å; I79-V101 HydrophobicContact CG2-CB 4.45Å; I79-V101 HydrophobicContact CG2-CG2 3.81Å; R80-V101 HydrophobicContact CB-CG2 4.01Å; I83-V101 HydrophobicContact CD1-CG2 4.42Å; V97-V101 VanDerWaalsContact O-CG2 3.24Å; V97-V101 WeakPolarHBondContact O-CG2 3.36Å; V97-V101 PolarHBondContact O-N 3.36Å; S98-V101 WeakPolarHBondContact O-CB 3.36Å; S98-V101 PolarHBondContact O-N 3.39Å; S98-V101 VanDerWaalsContact O-N 3.14Å; E99-V101 VanDerWaalsContact C-N 3.3Å; E99-V101 PolarHBondContact O-N 3.09Å
102	E	94.1	Very high	91.7	Very high	38 Å²	38	53.7 Å²	53.7	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-70.4	-36.8	177.7	-61.9	-51.7	139.2	0	0	112.3	F69 K71 K76 S98 E99	F69-E102 PolarHBondContact N-O 2.75Å; K71-E102 PolarHBondContact NZ-O 3.44Å; K76-E102 VanDerWaalsContact CE-OE1 3.31Å; K76-E102 WeakPolarHBondContact CE-OE1 3.5Å; K76-E102 WeakPolarHBondContact CE-OE2 3.4Å; K76-E102 IonicContact NZ-OE1 3.37Å; K76-E102 PolarHBondContact NZ-OE1 2.95Å; K76-E102 IonicContact NZ-OE2 2.8Å; K76-E102 PolarHBondContact NZ-OE2 3.2Å; S98-E102 PolarHBondContact O-N 2.97Å; E99-E102 PolarHBondContact O-N 3.13Å
103	C	93.8	Very high	92.3	Very high	4 Å²	4	57.7 Å²	57.7	3%	0.027	28%	0.278	C	S	.	.	H	α-helix	trans	-82.9	-16	-178.5	-71.6	0	0	0	0	115.9	S67 F69 E99 M100 L177 V181 I185	S67-C103 WeakPolarHBondContact O-CA 3.31Å; F69-C103 VanDerWaalsContact CD2-O 3.22Å; F69-C103 WeakPolarHBondContact CD2-O 3.35Å; F69-C103 VanDerWaalsContact CE2-O 3.27Å; F69-C103 WeakPolarHBondContact CE2-O 3.19Å; E99-C103 WeakPolarHBondContact O-CB 3.16Å; E99-C103 PolarHBondContact O-N 2.71Å; M100-C103 PolarHBondContact O-N 2.78Å; C103-L177 HydrophobicContact CB-CD1 3.93Å; C103-V181 HydrophobicContact CB-CG1 3.58Å; C103-I185 HydrophobicContact CB-CD1 4.28Å
104	A	94.3	Very high	92.9	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.033	29%	0.288	C	S	.	.			trans	-64.2	140.1	178.1	0	0	0	0	0	111.3	K71 I79 M100 W175 V176	K71-A104 WeakPolarHBondContact CE-O 3.38Å; K71-A104 PolarHBondContact NZ-O 3.46Å; I79-A104 HydrophobicContact CD1-CB 4.3Å; M100-A104 PolarHBondContact O-N 2.72Å; A104-W175 HydrophobicContact CB-CB 4.18Å; A104-W175 HydrophobicContact CB-CE3 4.43Å; A104-V176 CarbonylContact C-O 3.59Å; A104-V176 VanDerWaalsContact CA-O 3.24Å; A104-V176 WeakPolarHBondContact CA-O 3.32Å
105	Y	94.9	Very high	93.3	Very high	54 Å²	54	50.6 Å²	50.6	21%	0.212	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	155	176.6	61.2	-89.3	0	0	0	111.6	F69 H124 W175 V176 D178	F69-Y105 HydrophobicContact CE2-CD1 4.22Å; F69-Y105 HydrophobicContact CE2-CG 4.48Å; F69-Y105 HydrophobicContact CZ-CD1 4.34Å; F69-Y105 HydrophobicContact CZ-CG 4.4Å; Y105-H124 PolarHBondContact OH-CD2 2.96Å; Y105-W175 CarbonylContact O-C 3.56Å; Y105-W175 WeakPolarHBondContact O-CA 3.46Å; Y105-V176 HydrophobicContact CD1-CB 4.37Å; Y105-V176 WeakPolarHBondContact CD1-O 3.36Å; Y105-V176 HydrophobicContact CD2-CB 4.13Å; Y105-V176 HydrophobicContact CD2-CG2 4.43Å; Y105-V176 HydrophobicContact CE1-CB 3.96Å; Y105-V176 HydrophobicContact CE1-CG1 4.11Å; Y105-V176 HydrophobicContact CE2-CB 3.7Å; Y105-V176 HydrophobicContact CE2-CG1 4.13Å; Y105-V176 HydrophobicContact CE2-CG2 4.03Å; Y105-V176 HydrophobicContact CG-CB 4.45Å; Y105-V176 PolarHBondContact N-O 3.22Å; Y105-V176 PolarHBondContact O-N 3.23Å; Y105-V176 WeakPolarHBondContact OH-CG1 3.26Å; Y105-D178 WeakPolarHBondContact CE1-OD2 3.47Å; Y105-D178 PolarHBondContact OH-OD1 2.94Å
106	E	95.5	Very high	93.6	Very high	90 Å²	90	45.3 Å²	45.3	42%	0.421	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	142.3	-178.2	-170.6	171.8	170.9	0	0	111	K173 L174 W175	E106-K173 IonicContact OE1-NZ 2.75Å; E106-K173 PolarHBondContact OE1-NZ 3.28Å; E106-L174 CarbonylContact C-O 3.48Å; E106-L174 WeakPolarHBondContact CA-O 3.46Å; E106-W175 HydrophobicContact CB-CE3 4.29Å; E106-W175 HydrophobicContact CB-CH2 4.12Å; E106-W175 HydrophobicContact CB-CZ3 3.84Å
107	R	94.8	Very high	93.8	Very high	101 Å²	101	50.2 Å²	50.2	38%	0.381	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.4	171	-179.3	176.4	175.8	176.6	-3.2	110.4	V109 L174 V176	R107-V109 HydrophobicContact CG-CG2 4.39Å; R107-L174 PolarHBondContact N-O 3.43Å; R107-L174 PolarHBondContact O-N 2.92Å; R107-V176 HydrophobicContact CB-CG2 3.58Å; R107-V176 HydrophobicContact CG-CG2 4.48Å
108	D	96.1	Very high	93.7	Very high	101 Å²	101	52.8 Å²	52.8	54%	0.54	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143.6	170	-61	-76.1	0	0	0	110.8	K173	D108-K173 VanDerWaalsContact OD1-CE 3.25Å; D108-K173 WeakPolarHBondContact OD1-CE 3.36Å; D108-K173 WeakPolarHBondContact OD1-CG 3.5Å; D108-K173 IonicContact OD1-NZ 3.67Å
109	V	95.2	Very high	93.3	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	124.7	175.7	-179.3	0	0	0	0	108.6	R107 Q113 V115 A168 P171 V172 L174	R107-V109 HydrophobicContact CG-CG2 4.39Å; V109-Q113 HydrophobicContact CG1-CB 3.69Å; V109-V115 HydrophobicContact CB-CG2 4.49Å; V109-V115 HydrophobicContact CG1-CG2 4.1Å; V109-V115 HydrophobicContact CG2-CG2 4.24Å; V109-A168 HydrophobicContact CG1-CB 3.98Å; V109-P171 WeakPolarHBondContact O-CA 3.37Å; V109-V172 PolarHBondContact N-O 3.23Å; V109-V172 PolarHBondContact O-N 3.41Å; V109-L174 HydrophobicContact CG2-CD1 3.8Å
110	D	96.7	Very high	92.9	Very high	99 Å²	99	53.7 Å²	53.7	53%	0.529	28%	0.278	S	S	.	.			trans	-70.9	156.5	179.6	-63.8	-49.6	0	0	0	111.8	N112 Q113 A168	D110-N112 PolarHBondContact O-N 3.11Å; D110-Q113 HydrophobicContact CB-CG 4.25Å; D110-Q113 WeakPolarHBondContact O-CB 3.29Å; D110-Q113 PolarHBondContact O-N 3.27Å; D110-Q113 PolarHBondContact OD2-NE2 3.11Å; D110-A168 WeakPolarHBondContact O-CB 3.34Å
111	A	95.6	Very high	92.3	Very high	38 Å²	38	56.4 Å²	56.4	31%	0.314	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	141.9	172	0	0	0	0	0	110.9	Q113	A111-Q113 VanDerWaalsContact C-N 3.27Å; A111-Q113 PolarHBondContact O-N 3.46Å
112	N	93.5	Very high	91.2	Very high	109 Å²	109	56.4 Å²	56.4	58%	0.583	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	2.6	-176.5	-59.7	-63.7	0	0	0	117.3	D110 K167 A168	D110-N112 PolarHBondContact O-N 3.11Å; N112-K167 VanDerWaalsContact CA-CE 3.47Å; N112-K167 WeakPolarHBondContact O-CE 3.44Å; N112-A168 VanDerWaalsContact CA-O 3.3Å; N112-A168 WeakPolarHBondContact CA-O 3.47Å; N112-A168 PolarHBondContact N-O 3.11Å
113	Q	95.8	Very high	90.6	Very high	94 Å²	94	57.6 Å²	57.6	44%	0.439	31%	0.311	S	S	.	.			trans	-85.2	150.4	171.8	-66.2	-177.6	-2.9	0	0	112	V109 D110 A111 K167 A168	V109-Q113 HydrophobicContact CG1-CB 3.69Å; D110-Q113 HydrophobicContact CB-CG 4.25Å; D110-Q113 WeakPolarHBondContact O-CB 3.29Å; D110-Q113 PolarHBondContact O-N 3.27Å; D110-Q113 PolarHBondContact OD2-NE2 3.11Å; A111-Q113 VanDerWaalsContact C-N 3.27Å; A111-Q113 PolarHBondContact O-N 3.46Å; Q113-K167 WeakPolarHBondContact O-CA 3.22Å; Q113-A168 PolarHBondContact O-N 3.47Å
114	F	93.6	Very high	90.4	Very high	96 Å²	96	59.6 Å²	59.6	42%	0.421	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.8	171.8	-73.9	-88.9	0	0	0	110	K167	F114-K167 HydrophobicContact CD1-CB 3.94Å; F114-K167 HydrophobicContact CD1-CG 4.41Å; F114-K167 HydrophobicContact CE1-CB 3.94Å; F114-K167 HydrophobicContact CE1-CD 4.29Å; F114-K167 HydrophobicContact CE1-CG 4.36Å; F114-K167 HydrophobicContact CE2-CD 4.29Å; F114-K167 HydrophobicContact CZ-CD 4.03Å; F114-K167 HydrophobicContact CZ-CG 4.49Å
115	V	93.4	Very high	90.2	Very high	13 Å²	13	59.6 Å²	59.6	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-41.9	167	-172.4	0	0	0	0	109.6	V109 Y126 L133 F151 V166 L174	V109-V115 HydrophobicContact CB-CG2 4.49Å; V109-V115 HydrophobicContact CG1-CG2 4.1Å; V109-V115 HydrophobicContact CG2-CG2 4.24Å; V115-Y126 HydrophobicContact CG1-CD1 3.95Å; V115-Y126 HydrophobicContact CG1-CD2 4.15Å; V115-Y126 HydrophobicContact CG1-CE1 3.86Å; V115-Y126 HydrophobicContact CG1-CE2 4.04Å; V115-Y126 HydrophobicContact CG1-CG 4.1Å; V115-L133 HydrophobicContact CG2-CD2 3.66Å; V115-F151 HydrophobicContact CB-CE2 4.28Å; V115-F151 HydrophobicContact CG1-CE2 3.79Å; V115-F151 HydrophobicContact CG1-CZ 4.02Å; V115-V166 PolarHBondContact N-O 3.43Å; V115-L174 HydrophobicContact CB-CD1 4.37Å; V115-L174 HydrophobicContact CG1-CD1 3.47Å; V115-L174 VanDerWaalsContact CG1-CD1 3.47Å; V115-L174 HydrophobicContact CG2-CD1 3.92Å
116	I	92.3	Very high	90.2	Very high	9 Å²	9	57.4 Å²	57.4	5%	0.046	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.4	178.2	-64.6	-176.6	0	0	0	107.5	Y126 F151 R162 A164 S165 V166	I116-Y126 HydrophobicContact CD1-CD2 4.02Å; I116-Y126 HydrophobicContact CD1-CE2 3.95Å; I116-Y126 HydrophobicContact CG1-CD2 4.31Å; I116-Y126 HydrophobicContact CG1-CE2 3.88Å; I116-F151 HydrophobicContact CD1-CD2 3.7Å; I116-F151 HydrophobicContact CD1-CE2 4.01Å; I116-F151 HydrophobicContact CG1-CE2 4.37Å; I116-R162 HydrophobicContact CG2-CB 3.54Å; I116-R162 VanDerWaalsContact CG2-CD 3.48Å; I116-R162 HydrophobicContact CG2-CG 3.49Å; I116-R162 VanDerWaalsContact CG2-CG 3.49Å; I116-A164 VanDerWaalsContact CG2-O 3.25Å; I116-A164 WeakPolarHBondContact CG2-O 3.47Å; I116-S165 CarbonylContact O-C 3.55Å; I116-S165 VanDerWaalsContact O-CA 3.27Å; I116-S165 WeakPolarHBondContact O-CA 3.43Å; I116-V166 HydrophobicContact CB-CB 3.97Å; I116-V166 HydrophobicContact CB-CG2 4.03Å; I116-V166 HydrophobicContact CD1-CG2 4.23Å; I116-V166 HydrophobicContact CG1-CB 4.45Å; I116-V166 HydrophobicContact CG1-CG2 4.45Å; I116-V166 PolarHBondContact N-O 2.86Å; I116-V166 PolarHBondContact O-N 3.06Å
117	Q	90.9	Very high	90.2	Very high	108 Å²	108	53.4 Å²	53.4	51%	0.505	29%	0.292	S	S	.	.			trans	-121.2	129.8	172.3	-170.6	171	10.1	0	0	109.1	T120 R162	Q117-T120 HydrophobicContact CB-CG2 3.87Å; Q117-T120 HydrophobicContact CG-CG2 4.35Å; Q117-T120 WeakPolarHBondContact O-CB 3.34Å; Q117-T120 WeakPolarHBondContact O-CG2 3.11Å; Q117-T120 PolarHBondContact O-N 3.17Å; Q117-T120 VanDerWaalsContact O-N 3.16Å; Q117-T120 PolarHBondContact O-OG1 3.49Å; Q117-R162 WeakPolarHBondContact O-CB 3.4Å
118	E	88.4	Confident	90.2	Very high	59 Å²	59	48.6 Å²	48.6	28%	0.276	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	140	178.3	-176.3	178	175.6	0	0	111	T120 K137 G138 R162 S165	E118-T120 PolarHBondContact O-N 3.4Å; E118-K137 WeakPolarHBondContact OE2-CA 3.38Å; E118-G138 PolarHBondContact OE2-N 3.14Å; E118-R162 CarbonylContact C-O 3.58Å; E118-R162 WeakPolarHBondContact CA-O 3.24Å; E118-S165 WeakPolarHBondContact CB-OG 3.27Å; E118-S165 PolarHBondContact N-OG 2.9Å
119	G	82.9	Confident	90.2	Very high	45 Å²	45	45 Å²	45	46%	0.464	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-12.7	-179	0	0	0	0	0	115	T161 R162	G119-T161 VanDerWaalsContact O-CG2 3.29Å; G119-T161 WeakPolarHBondContact O-CG2 3.43Å; G119-R162 PolarHBondContact N-O 3.45Å
120	T	83.9	Confident	90.2	Very high	59 Å²	59	46.6 Å²	46.6	36%	0.362	27%	0.272	S	S	.	.	S	Bend	trans	-78.5	154.5	176.5	65.2	0	0	0	0	111.5	Q117 E118 T161 R162	Q117-T120 HydrophobicContact CB-CG2 3.87Å; Q117-T120 HydrophobicContact CG-CG2 4.35Å; Q117-T120 WeakPolarHBondContact O-CB 3.34Å; Q117-T120 WeakPolarHBondContact O-CG2 3.11Å; Q117-T120 PolarHBondContact O-N 3.17Å; Q117-T120 VanDerWaalsContact O-N 3.16Å; Q117-T120 PolarHBondContact O-OG1 3.49Å; E118-T120 PolarHBondContact O-N 3.4Å; T120-T161 CarbonylContact O-C 3.36Å; T120-T161 VanDerWaalsContact O-CA 3.29Å; T120-T161 WeakPolarHBondContact O-CA 3.37Å; T120-R162 VanDerWaalsContact O-CG 3.25Å; T120-R162 WeakPolarHBondContact O-CG 3.44Å; T120-R162 PolarHBondContact O-N 3.5Å
121	A	77.7	Confident	90.1	Very high	59 Å²	59	43 Å²	43	49%	0.488	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-68.1	133.9	173	0	0	0	0	0	110.1
122	G	71.7	Confident	90.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-102.6	133.3	176.4	0	0	0	0	0	112.3	A155 R162	G122-A155 WeakPolarHBondContact O-CB 3.38Å; G122-R162 VanDerWaalsContact CA-CZ 3.43Å
123	T	82	Confident	90.3	Very high	64 Å²	64	39.7 Å²	39.7	39%	0.393	23%	0.234	S	C	.	.			trans	-132.8	8.2	174	54.4	0	0	0	0	113.3	R179	T123-R179 VanDerWaalsContact O-CB 3.31Å; T123-R179 WeakPolarHBondContact O-CB 3.47Å; T123-R179 PolarHBondContact O-N 3.3Å
124	H	88.3	Confident	90.3	Very high	46 Å²	46	37.1 Å²	37.1	21%	0.213	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.2	-172.5	-55.2	83.6	0	0	0	111.5	Y105 Y126 R162 V176 L177 D178	Y105-H124 PolarHBondContact OH-CD2 2.96Å; H124-Y126 HydrophobicContact CB-CE1 4.2Å; H124-Y126 HydrophobicContact CB-CE2 3.85Å; H124-Y126 WeakPolarHBondContact CB-OH 3.44Å; H124-R162 PolarHBondContact O-NH1 3.32Å; H124-R162 PolarHBondContact O-NH2 3.03Å; H124-V176 HydrophobicContact CB-CG1 3.9Å; H124-L177 WeakPolarHBondContact CA-O 3.48Å; H124-D178 IonicContact CD2-OD1 2.66Å; H124-D178 PolarHBondContact CD2-OD1 2.91Å; H124-D178 IonicContact NE2-OD1 2.75Å; H124-D178 PolarHBondContact NE2-OD1 2.91Å
125	L	91.3	Very high	90.3	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.7	163	179.9	78.1	0	0	0	109.1	L89 M100 V150 E153 L156 V176 L177	L89-L125 HydrophobicContact CD1-CD1 4.35Å; L89-L125 HydrophobicContact CD1-CD2 3.82Å; M100-L125 HydrophobicContact CE-CD2 4.19Å; L125-V150 HydrophobicContact CD1-CG1 3.47Å; L125-V150 VanDerWaalsContact CD1-CG1 3.47Å; L125-V150 HydrophobicContact CD2-CG1 4.36Å; L125-V150 HydrophobicContact CG-CG1 4.1Å; L125-E153 HydrophobicContact CD1-CB 3.6Å; L125-L156 HydrophobicContact CB-CD1 3.81Å; L125-L156 HydrophobicContact CB-CD2 4.01Å; L125-L156 HydrophobicContact CB-CG 4.12Å; L125-L156 HydrophobicContact CD1-CD1 3.89Å; L125-L156 HydrophobicContact CD2-CD1 3.98Å; L125-L156 HydrophobicContact CG-CD1 4.12Å; L125-V176 WeakPolarHBondContact O-CA 3.47Å; L125-L177 HydrophobicContact CB-CB 4.3Å; L125-L177 HydrophobicContact CD2-CB 4.45Å; L125-L177 HydrophobicContact CD2-CD2 4.43Å; L125-L177 PolarHBondContact N-O 3.31Å; L125-L177 PolarHBondContact O-N 3.27Å
126	Y	94.3	Very high	90.3	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.027	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.8	178	-56.2	-85.1	0	0	0	111.3	V115 I116 H124 V150 F151 L174 W175 V176	V115-Y126 HydrophobicContact CG1-CD1 3.95Å; V115-Y126 HydrophobicContact CG1-CD2 4.15Å; V115-Y126 HydrophobicContact CG1-CE1 3.86Å; V115-Y126 HydrophobicContact CG1-CE2 4.04Å; V115-Y126 HydrophobicContact CG1-CG 4.1Å; I116-Y126 HydrophobicContact CD1-CD2 4.02Å; I116-Y126 HydrophobicContact CD1-CE2 3.95Å; I116-Y126 HydrophobicContact CG1-CD2 4.31Å; I116-Y126 HydrophobicContact CG1-CE2 3.88Å; H124-Y126 HydrophobicContact CB-CE1 4.2Å; H124-Y126 HydrophobicContact CB-CE2 3.85Å; H124-Y126 WeakPolarHBondContact CB-OH 3.44Å; Y126-V150 CarbonylContact O-C 3.6Å; Y126-V150 WeakPolarHBondContact O-CA 3.28Å; Y126-F151 HydrophobicContact CD2-CD2 4.01Å; Y126-F151 AromaticContact CD2-CE2 3.63Å; Y126-F151 HydrophobicContact CD2-CE2 3.63Å; Y126-F151 HydrophobicContact CD2-CZ 4.23Å; Y126-F151 HydrophobicContact CG-CD2 4.38Å; Y126-F151 AromaticContact CG-CE2 3.75Å; Y126-F151 HydrophobicContact CG-CE2 3.75Å; Y126-F151 AromaticContact CG-CZ 3.85Å; Y126-F151 HydrophobicContact CG-CZ 3.85Å; Y126-F151 PolarHBondContact N-O 2.91Å; Y126-F151 PolarHBondContact O-N 2.97Å; Y126-L174 HydrophobicContact CD1-CB 4.38Å; Y126-L174 HydrophobicContact CD1-CD1 3.77Å; Y126-L174 HydrophobicContact CE1-CD1 4.33Å; Y126-L174 HydrophobicContact CG-CD1 4.45Å; Y126-W175 CarbonylContact C-O 3.6Å; Y126-W175 VanDerWaalsContact CA-O 3.3Å; Y126-W175 WeakPolarHBondContact CA-O 3.42Å; Y126-V176 HydrophobicContact CD1-CB 4.44Å; Y126-V176 HydrophobicContact CD1-CG1 4.15Å; Y126-V176 HydrophobicContact CD1-CG2 3.85Å; Y126-V176 HydrophobicContact CE1-CB 4.48Å; Y126-V176 HydrophobicContact CE1-CG1 3.85Å; Y126-V176 HydrophobicContact CE1-CG2 3.91Å
127	V	95.3	Very high	90.1	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.036	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.1	164.7	-173.9	0	0	0	0	108.4	L78 I79 A82 A129 K149 V150 L174 W175	L78-V127 HydrophobicContact CD2-CG1 3.85Å; I79-V127 HydrophobicContact CG2-CG2 4.46Å; A82-V127 HydrophobicContact CB-CG1 3.36Å; V127-A129 PolarHBondContact O-N 3.04Å; V127-K149 WeakPolarHBondContact CA-O 3.37Å; V127-V150 HydrophobicContact CG2-CG2 4.17Å; V127-L174 CarbonylContact O-C 3.53Å; V127-L174 WeakPolarHBondContact O-CA 3.45Å; V127-W175 HydrophobicContact CB-CB 4.14Å; V127-W175 PolarHBondContact N-O 2.97Å; V127-W175 PolarHBondContact O-N 3.43Å
128	A	95.7	Very high	90	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	121.7	175.1	0	0	0	0	0	110.3	L133 G146 P147 G148 K149 F151 L174	A128-L133 HydrophobicContact CB-CD1 4.09Å; A128-G146 WeakPolarHBondContact CB-O 3.16Å; A128-P147 CarbonylContact O-C 3.49Å; A128-P147 VanDerWaalsContact O-CA 3.29Å; A128-P147 WeakPolarHBondContact O-CA 3.39Å; A128-G148 PolarHBondContact O-N 2.86Å; A128-K149 PolarHBondContact N-O 2.94Å; A128-F151 HydrophobicContact CB-CE1 4.39Å; A128-L174 HydrophobicContact CB-CD2 4.39Å
129	A	95.1	Very high	89.9	Confident	25 Å²	25	38.9 Å²	38.9	21%	0.207	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-34.6	177.5	0	0	0	0	0	112.4	L78 V127 K173	L78-A129 HydrophobicContact CD2-CB 4.41Å; V127-A129 PolarHBondContact O-N 3.04Å; A129-K173 HydrophobicContact CB-CB 4.08Å; A129-K173 WeakPolarHBondContact CB-O 3.41Å; A129-K173 PolarHBondContact N-O 2.86Å
130	A	95.1	Very high	90.3	Very high	38 Å²	38	43.8 Å²	43.8	31%	0.314	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	157.6	177.7	0	0	0	0	0	110.5	V172 K173	A130-V172 VanDerWaalsContact O-CA 3.28Å; A130-V172 WeakPolarHBondContact O-CA 3.31Å; A130-V172 WeakPolarHBondContact O-CG1 3.4Å; A130-K173 HydrophobicContact CB-CB 3.97Å; A130-K173 HydrophobicContact CB-CG 4.15Å; A130-K173 PolarHBondContact N-O 3.4Å; A130-K173 PolarHBondContact O-N 3.43Å; A130-K173 VanDerWaalsContact O-N 3.07Å
131	G	95.3	Very high	90.7	Very high	25 Å²	25	44.7 Å²	44.7	26%	0.258	27%	0.274	S	S	.	.	S	Bend	trans	86.8	-177.8	176.1	0	0	0	0	0	114.8	S170 P171	G131-S170 WeakPolarHBondContact CA-OG 3.25Å; G131-P171 WeakPolarHBondContact CA-O 3.46Å
132	E	96.7	Very high	91.2	Very high	75 Å²	75	46.5 Å²	46.5	35%	0.35	28%	0.276	S	S	.	.			trans	-120.5	134	-176.6	-167.4	-176.7	-161.2	0	0	110.9	R144 L169 S170	E132-R144 WeakPolarHBondContact OE1-CD 3.27Å; E132-R144 IonicContact OE1-CZ 3.74Å; E132-R144 IonicContact OE1-NE 3.91Å; E132-R144 IonicContact OE1-NH1 2.79Å; E132-R144 PolarHBondContact OE1-NH1 3.26Å; E132-R144 IonicContact OE2-NH1 3.11Å; E132-R144 PolarHBondContact OE2-NH1 2.94Å; E132-R144 VanDerWaalsContact OE2-NH1 3.11Å; E132-L169 HydrophobicContact CB-CB 4.31Å; E132-L169 HydrophobicContact CG-CB 4.48Å; E132-L169 HydrophobicContact CG-CD1 4.17Å; E132-L169 PolarHBondContact O-N 3.14Å; E132-S170 PolarHBondContact N-OG 3Å
133	L	96.8	Very high	92.2	Very high	1 Å²	1	48 Å²	48	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.7	179.8	-66.6	161.7	0	0	0	109.8	V115 A128 R144 M145 F151 V166 K167 A168 V172 L174	V115-L133 HydrophobicContact CG2-CD2 3.66Å; A128-L133 HydrophobicContact CB-CD1 4.09Å; L133-R144 CarbonylContact O-C 3.38Å; L133-R144 WeakPolarHBondContact O-CA 3.45Å; L133-M145 HydrophobicContact CB-CG 3.5Å; L133-M145 VanDerWaalsContact CB-CG 3.5Å; L133-M145 HydrophobicContact CB-SD 4.28Å; L133-M145 HydrophobicContact CD1-CG 3.82Å; L133-M145 HydrophobicContact CD1-SD 3.82Å; L133-M145 HydrophobicContact CG-CG 4.28Å; L133-M145 PolarHBondContact N-O 3.41Å; L133-M145 PolarHBondContact O-N 3.21Å; L133-F151 HydrophobicContact CD1-CD1 4.42Å; L133-F151 HydrophobicContact CD1-CE1 3.5Å; L133-F151 HydrophobicContact CD1-CZ 3.59Å; L133-V166 HydrophobicContact CB-CG1 4Å; L133-V166 HydrophobicContact CD1-CG1 4.28Å; L133-V166 HydrophobicContact CD2-CG1 3.99Å; L133-V166 HydrophobicContact CG-CG1 4.33Å; L133-K167 CarbonylContact C-O 3.41Å; L133-K167 WeakPolarHBondContact CA-O 3.46Å; L133-A168 HydrophobicContact CD2-CB 4.13Å; L133-V172 HydrophobicContact CD1-CG1 4.22Å; L133-V172 HydrophobicContact CD2-CB 4.35Å; L133-V172 HydrophobicContact CD2-CG1 4.02Å; L133-V172 HydrophobicContact CD2-CG2 3.89Å; L133-V172 HydrophobicContact CG-CG1 4.12Å; L133-V172 HydrophobicContact CG-CG2 3.99Å; L133-L174 HydrophobicContact CD1-CD2 4.2Å
134	Q	96.4	Very high	92.7	Very high	41 Å²	41	52.1 Å²	52.1	19%	0.192	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132	174.7	-177	-179.9	-30.8	0	0	110.5	V141 V166 K167 L169	Q134-V141 HydrophobicContact CG-CG1 3.7Å; Q134-V166 CarbonylContact O-C 3.49Å; Q134-V166 VanDerWaalsContact O-CA 3.31Å; Q134-V166 WeakPolarHBondContact O-CA 3.3Å; Q134-K167 PolarHBondContact N-O 3.46Å; Q134-K167 PolarHBondContact O-N 3.19Å; Q134-L169 HydrophobicContact CB-CD1 3.97Å; Q134-L169 HydrophobicContact CB-CD2 4.03Å; Q134-L169 HydrophobicContact CB-CG 3.95Å
135	V	93.8	Very high	92.9	Very high	27 Å²	27	51.3 Å²	51.3	16%	0.164	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.7	172.5	-170.2	0	0	0	0	109.5	L142 G143 M145 A164 S165 V166	V135-L142 HydrophobicContact CB-CB 4.31Å; V135-L142 HydrophobicContact CG1-CB 4.17Å; V135-L142 HydrophobicContact CG1-CD1 4.15Å; V135-L142 PolarHBondContact O-N 3.43Å; V135-G143 PolarHBondContact N-O 3.34Å; V135-G143 PolarHBondContact O-N 2.89Å; V135-M145 HydrophobicContact CG2-CE 3.04Å; V135-A164 HydrophobicContact CG1-CB 3.88Å; V135-S165 CarbonylContact C-O 3.53Å; V135-S165 WeakPolarHBondContact CA-O 3.37Å; V135-V166 HydrophobicContact CG2-CG2 4.36Å
136	S	92.3	Very high	92.9	Very high	18 Å²	18	52.1 Å²	52.1	13%	0.126	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.6	174.6	58.9	0	0	0	0	112	K140 A164 S165	S136-K140 CarbonylContact C-O 3.5Å; S136-K140 WeakPolarHBondContact CA-O 2.77Å; S136-K140 WeakPolarHBondContact CB-O 3.49Å; S136-A164 CarbonylContact O-C 3.46Å; S136-A164 WeakPolarHBondContact O-CA 3.24Å; S136-A164 WeakPolarHBondContact O-CB 3.44Å; S136-S165 PolarHBondContact N-O 3.07Å; S136-S165 PolarHBondContact O-N 3.03Å
137	K	89	Confident	92.9	Very high	95 Å²	95	55.5 Å²	55.5	41%	0.413	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.6	169.7	-174.1	175.9	-175	175.6	0	108.4	E118 S139 K140 L142	E118-K137 WeakPolarHBondContact OE2-CA 3.38Å; K137-S139 PolarHBondContact O-N 3.39Å; K137-K140 PolarHBondContact N-O 3.48Å; K137-K140 WeakPolarHBondContact O-CB 3.24Å; K137-K140 PolarHBondContact O-N 3.03Å; K137-L142 HydrophobicContact CB-CD1 3.9Å; K137-L142 HydrophobicContact CB-CD2 4.4Å; K137-L142 HydrophobicContact CB-CG 4.23Å
138	G	88.2	Confident	92.7	Very high	53 Å²	53	56 Å²	56	55%	0.546	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-128	-162.7	0	0	0	0	0	111	E118	E118-G138 PolarHBondContact OE2-N 3.14Å
139	S	85.9	Confident	92.6	Very high	128 Å²	128	61.2 Å²	61.2	90%	0.895	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.6	175.1	56	0	0	0	0	114.1	K137	K137-S139 PolarHBondContact O-N 3.39Å
140	K	91.1	Very high	92.5	Very high	148 Å²	148	60.9 Å²	60.9	64%	0.643	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.9	-173.3	-173.9	177.9	-179.5	177.2	0	111.1	S136 K137 L142	S136-K140 CarbonylContact C-O 3.5Å; S136-K140 WeakPolarHBondContact CA-O 2.77Å; S136-K140 WeakPolarHBondContact CB-O 3.49Å; K137-K140 PolarHBondContact N-O 3.48Å; K137-K140 WeakPolarHBondContact O-CB 3.24Å; K137-K140 PolarHBondContact O-N 3.03Å; K140-L142 HydrophobicContact CD-CD2 4.39Å; K140-L142 HydrophobicContact CG-CD2 4.4Å; K140-L142 PolarHBondContact O-N 2.94Å
141	V	92.1	Very high	92.3	Very high	78 Å²	78	59.6 Å²	59.6	47%	0.473	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	122.1	170.5	-171.8	0	0	0	0	109.2	Q134	Q134-V141 HydrophobicContact CG-CG1 3.7Å
142	L	88.8	Confident	91.8	Very high	98 Å²	98	59.1 Å²	59.1	51%	0.513	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-29	179.1	-60.6	-174.4	0	0	0	112.1	V135 K137 K140 A164	V135-L142 HydrophobicContact CB-CB 4.31Å; V135-L142 HydrophobicContact CG1-CB 4.17Å; V135-L142 HydrophobicContact CG1-CD1 4.15Å; V135-L142 PolarHBondContact O-N 3.43Å; K137-L142 HydrophobicContact CB-CD1 3.9Å; K137-L142 HydrophobicContact CB-CD2 4.4Å; K137-L142 HydrophobicContact CB-CG 4.23Å; K140-L142 HydrophobicContact CD-CD2 4.39Å; K140-L142 HydrophobicContact CG-CD2 4.4Å; K140-L142 PolarHBondContact O-N 2.94Å; L142-A164 HydrophobicContact CD1-CB 4.36Å
143	G	92	Very high	91.1	Very high	30 Å²	30	57.4 Å²	57.4	31%	0.309	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166	-171.9	179.5	0	0	0	0	0	112.7	V135	V135-G143 PolarHBondContact N-O 3.34Å; V135-G143 PolarHBondContact O-N 2.89Å
144	R	93.7	Very high	90.1	Very high	152 Å²	152	58 Å²	58	57%	0.574	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.2	175.5	-62.5	-177.2	172.6	-139.5	-4.1	109.6	E132 L133	E132-R144 WeakPolarHBondContact OE1-CD 3.27Å; E132-R144 IonicContact OE1-CZ 3.74Å; E132-R144 IonicContact OE1-NE 3.91Å; E132-R144 IonicContact OE1-NH1 2.79Å; E132-R144 PolarHBondContact OE1-NH1 3.26Å; E132-R144 IonicContact OE2-NH1 3.11Å; E132-R144 PolarHBondContact OE2-NH1 2.94Å; E132-R144 VanDerWaalsContact OE2-NH1 3.11Å; L133-R144 CarbonylContact O-C 3.38Å; L133-R144 WeakPolarHBondContact O-CA 3.45Å
145	M	92.5	Very high	88.9	Confident	28 Å²	28	56 Å²	56	14%	0.138	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.5	175.8	69.4	178	87.4	0	0	110.3	L133 V135 K149 F151 V166	L133-M145 HydrophobicContact CB-CG 3.5Å; L133-M145 VanDerWaalsContact CB-CG 3.5Å; L133-M145 HydrophobicContact CB-SD 4.28Å; L133-M145 HydrophobicContact CD1-CG 3.82Å; L133-M145 HydrophobicContact CD1-SD 3.82Å; L133-M145 HydrophobicContact CG-CG 4.28Å; L133-M145 PolarHBondContact N-O 3.41Å; L133-M145 PolarHBondContact O-N 3.21Å; V135-M145 HydrophobicContact CG2-CE 3.04Å; M145-K149 HydrophobicContact CB-CB 4.18Å; M145-K149 HydrophobicContact CB-CG 4.24Å; M145-F151 HydrophobicContact CE-CB 4.01Å; M145-F151 HydrophobicContact CE-CD1 4.26Å; M145-F151 HydrophobicContact CE-CG 4.03Å; M145-F151 HydrophobicContact SD-CB 4.01Å; M145-F151 HydrophobicContact SD-CD1 3.28Å; M145-F151 WeakPolarHBondContact SD-CD1 3.42Å; M145-F151 HydrophobicContact SD-CD2 4.45Å; M145-F151 HydrophobicContact SD-CE1 3.77Å; M145-F151 HydrophobicContact SD-CG 3.67Å; M145-V166 HydrophobicContact CE-CG1 4.04Å; M145-V166 HydrophobicContact CE-CG2 4.27Å
146	G	91.9	Very high	88	Confident	21 Å²	21	54.8 Å²	54.8	22%	0.216	31%	0.313	C	S	.	.			trans	-129.9	-161.6	177.7	0	0	0	0	0	111.2	A128 K149	A128-G146 WeakPolarHBondContact CB-O 3.16Å; G146-K149 PolarHBondContact O-N 2.78Å
147	P	92.9	Very high	86.7	Confident	78 Å²	78	54.3 Å²	54.3	51%	0.506	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	145.3	-176.8	-27.5	37.4	0	0	0	113.9	A128 K149	A128-P147 CarbonylContact O-C 3.49Å; A128-P147 VanDerWaalsContact O-CA 3.29Å; A128-P147 WeakPolarHBondContact O-CA 3.39Å; P147-K149 VanDerWaalsContact C-N 3.33Å
148	G	92.1	Very high	85.6	Confident	17 Å²	17	50.2 Å²	50.2	18%	0.175	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	6.5	179.8	0	0	0	0	0	114.8	A82 A128	A82-G148 VanDerWaalsContact CB-O 3.3Å; A82-G148 WeakPolarHBondContact CB-O 3.35Å; A128-G148 PolarHBondContact O-N 2.86Å
149	K	92.8	Very high	84.4	Confident	109 Å²	109	49.2 Å²	49.2	47%	0.474	27%	0.273	S	S	.	.			trans	-99.2	134.9	175.9	-62.1	-58.1	-178	-171.8	0	111.8	V127 A128 M145 G146 P147	V127-K149 WeakPolarHBondContact CA-O 3.37Å; A128-K149 PolarHBondContact N-O 2.94Å; M145-K149 HydrophobicContact CB-CB 4.18Å; M145-K149 HydrophobicContact CB-CG 4.24Å; G146-K149 PolarHBondContact O-N 2.78Å; P147-K149 VanDerWaalsContact C-N 3.33Å
150	V	92.3	Very high	83.4	Confident	19 Å²	19	43.5 Å²	43.5	12%	0.115	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.6	172.4	-180	0	0	0	0	109.2	A82 N86 L89 L125 Y126 V127	A82-V150 VanDerWaalsContact C-CG2 3.45Å; A82-V150 HydrophobicContact CB-CG2 3.76Å; A82-V150 WeakPolarHBondContact O-CG2 3.22Å; N86-V150 HydrophobicContact CB-CB 4.16Å; N86-V150 HydrophobicContact CB-CG2 4.12Å; L89-V150 HydrophobicContact CD1-CG1 3.78Å; L89-V150 HydrophobicContact CD1-CG2 4.47Å; L125-V150 HydrophobicContact CD1-CG1 3.47Å; L125-V150 VanDerWaalsContact CD1-CG1 3.47Å; L125-V150 HydrophobicContact CD2-CG1 4.36Å; L125-V150 HydrophobicContact CG-CG1 4.1Å; Y126-V150 CarbonylContact O-C 3.6Å; Y126-V150 WeakPolarHBondContact O-CA 3.28Å; V127-V150 HydrophobicContact CG2-CG2 4.17Å
151	F	90.9	Very high	82.6	Confident	11 Å²	11	39.7 Å²	39.7	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154.8	172.1	62.3	-81.6	0	0	0	112.3	V115 I116 Y126 A128 L133 M145 E153 V166 L174	V115-F151 HydrophobicContact CB-CE2 4.28Å; V115-F151 HydrophobicContact CG1-CE2 3.79Å; V115-F151 HydrophobicContact CG1-CZ 4.02Å; I116-F151 HydrophobicContact CD1-CD2 3.7Å; I116-F151 HydrophobicContact CD1-CE2 4.01Å; I116-F151 HydrophobicContact CG1-CE2 4.37Å; Y126-F151 HydrophobicContact CD2-CD2 4.01Å; Y126-F151 AromaticContact CD2-CE2 3.63Å; Y126-F151 HydrophobicContact CD2-CE2 3.63Å; Y126-F151 HydrophobicContact CD2-CZ 4.23Å; Y126-F151 HydrophobicContact CG-CD2 4.38Å; Y126-F151 AromaticContact CG-CE2 3.75Å; Y126-F151 HydrophobicContact CG-CE2 3.75Å; Y126-F151 AromaticContact CG-CZ 3.85Å; Y126-F151 HydrophobicContact CG-CZ 3.85Å; Y126-F151 PolarHBondContact N-O 2.91Å; Y126-F151 PolarHBondContact O-N 2.97Å; A128-F151 HydrophobicContact CB-CE1 4.39Å; L133-F151 HydrophobicContact CD1-CD1 4.42Å; L133-F151 HydrophobicContact CD1-CE1 3.5Å; L133-F151 HydrophobicContact CD1-CZ 3.59Å; M145-F151 HydrophobicContact CE-CB 4.01Å; M145-F151 HydrophobicContact CE-CD1 4.26Å; M145-F151 HydrophobicContact CE-CG 4.03Å; M145-F151 HydrophobicContact SD-CB 4.01Å; M145-F151 HydrophobicContact SD-CD1 3.28Å; M145-F151 WeakPolarHBondContact SD-CD1 3.42Å; M145-F151 HydrophobicContact SD-CD2 4.45Å; M145-F151 HydrophobicContact SD-CE1 3.77Å; M145-F151 HydrophobicContact SD-CG 3.67Å; F151-E153 VanDerWaalsContact C-OE2 3.29Å; F151-E153 VanDerWaalsContact CA-OE2 3.29Å; F151-E153 WeakPolarHBondContact CA-OE2 3.41Å; F151-V166 HydrophobicContact CD2-CB 4.43Å; F151-V166 HydrophobicContact CD2-CG1 4.2Å; F151-V166 HydrophobicContact CD2-CG2 4.05Å; F151-V166 HydrophobicContact CE2-CB 4.26Å; F151-V166 HydrophobicContact CE2-CG1 3.86Å; F151-V166 HydrophobicContact CE2-CG2 4.38Å; F151-V166 HydrophobicContact CZ-CG1 4.31Å; F151-L174 HydrophobicContact CE1-CD2 4.03Å; F151-L174 HydrophobicContact CZ-CD1 4.41Å; F151-L174 HydrophobicContact CZ-CD2 3.85Å
152	G	85.5	Confident	82.1	Confident	14 Å²	14	36.8 Å²	36.8	14%	0.144	20%	0.203	C	C	.	.			trans	92.2	11.4	178.7	0	0	0	0	0	114.5	L154 A155 R162	G152-L154 PolarHBondContact O-N 2.62Å; G152-A155 PolarHBondContact O-N 2.83Å; G152-R162 VanDerWaalsContact CA-NH1 3.3Å; G152-R162 PolarHBondContact O-NH1 2.83Å
153	E	83.3	Confident	81.8	Confident	40 Å²	40	34.9 Å²	34.9	19%	0.187	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-31.8	-175	61.9	-91.5	-130.7	0	0	114.7	N86 F88 L125 F151 A155 L156 M556	N86-E153 PolarHBondContact ND2-OE1 2.87Å; F88-E153 HydrophobicContact CD1-CB 4.29Å; L125-E153 HydrophobicContact CD1-CB 3.6Å; F151-E153 VanDerWaalsContact C-OE2 3.29Å; F151-E153 VanDerWaalsContact CA-OE2 3.29Å; F151-E153 WeakPolarHBondContact CA-OE2 3.41Å; E153-A155 PolarHBondContact O-N 3.3Å; E153-A155 VanDerWaalsContact O-N 3.15Å; E153-L156 WeakPolarHBondContact O-CB 3.44Å; E153-L156 PolarHBondContact O-N 3.16Å; E153-M556 HydrophobicContact CB-CE 4.09Å; E153-M556 HydrophobicContact CG-CE 3.3Å
154	L	74	Confident	81.6	Confident	12 Å²	12	34.2 Å²	34.2	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-34.1	179.5	-173.9	58.4	0	0	0	111.9	G152 L156 L157 Y158 C160 T163 P555 M556 Y559	G152-L154 PolarHBondContact O-N 2.62Å; L154-L156 PolarHBondContact O-N 3.31Å; L154-L157 HydrophobicContact CD1-CD1 4.49Å; L154-L157 PolarHBondContact O-N 3Å; L154-Y158 HydrophobicContact CD1-CE1 3.66Å; L154-Y158 HydrophobicContact CG-CE1 4.48Å; L154-C160 HydrophobicContact CD2-CB 4.46Å; L154-C160 HydrophobicContact CG-CB 4.42Å; L154-C160 VanDerWaalsContact CG-SG 3.55Å; L154-T163 HydrophobicContact CD2-CG2 3.91Å; L154-P555 HydrophobicContact CD1-CB 4.19Å; L154-M556 HydrophobicContact CB-CG 3.5Å; L154-M556 HydrophobicContact CB-SD 3.77Å; L154-M556 HydrophobicContact CD1-CG 3.52Å; L154-M556 HydrophobicContact CD1-SD 3.24Å; L154-M556 WeakPolarHBondContact CD1-SD 3.45Å; L154-M556 HydrophobicContact CD2-CG 4.22Å; L154-M556 HydrophobicContact CG-CG 3.87Å; L154-M556 HydrophobicContact CG-SD 4.02Å; L154-Y559 HydrophobicContact CD1-CD2 4.37Å; L154-Y559 HydrophobicContact CD1-CE2 3.91Å
155	A	72.3	Confident	81.5	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-73.1	-11.2	179.7	0	0	0	0	0	113.2	G122 G152 E153 R162 R179	G122-A155 WeakPolarHBondContact O-CB 3.38Å; G152-A155 PolarHBondContact O-N 2.83Å; E153-A155 PolarHBondContact O-N 3.3Å; E153-A155 VanDerWaalsContact O-N 3.15Å; A155-R162 VanDerWaalsContact CB-NH1 3.3Å; A155-R179 VanDerWaalsContact O-CD 3.28Å; A155-R179 WeakPolarHBondContact O-CD 3.36Å
156	L	73.7	Confident	81.7	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-75.3	-35.4	170.7	-61.4	-179.6	0	0	0	112.2	L125 E153 L154 R179 F182	L125-L156 HydrophobicContact CB-CD1 3.81Å; L125-L156 HydrophobicContact CB-CD2 4.01Å; L125-L156 HydrophobicContact CB-CG 4.12Å; L125-L156 HydrophobicContact CD1-CD1 3.89Å; L125-L156 HydrophobicContact CD2-CD1 3.98Å; L125-L156 HydrophobicContact CG-CD1 4.12Å; E153-L156 WeakPolarHBondContact O-CB 3.44Å; E153-L156 PolarHBondContact O-N 3.16Å; L154-L156 PolarHBondContact O-N 3.31Å; L156-R179 HydrophobicContact CD2-CB 4.03Å; L156-R179 PolarHBondContact O-NE 3.39Å; L156-F182 HydrophobicContact CB-CD1 3.77Å; L156-F182 HydrophobicContact CB-CE1 3.96Å; L156-F182 HydrophobicContact CB-CG 4.29Å; L156-F182 HydrophobicContact CD1-CB 4.34Å; L156-F182 HydrophobicContact CD1-CD1 4.04Å; L156-F182 HydrophobicContact CD1-CD2 3.79Å; L156-F182 HydrophobicContact CD1-CE1 4.28Å; L156-F182 HydrophobicContact CD1-CE2 4.04Å; L156-F182 HydrophobicContact CD1-CG 3.77Å; L156-F182 HydrophobicContact CD1-CZ 4.28Å; L156-F182 HydrophobicContact CD2-CB 3.96Å; L156-F182 HydrophobicContact CD2-CD1 4.36Å; L156-F182 HydrophobicContact CD2-CG 4.16Å; L156-F182 HydrophobicContact CG-CD1 4.3Å; L156-F182 HydrophobicContact CG-CG 4.32Å
157	L	66.5	Low	81.9	Confident	7 Å²	7	28.5 Å²	28.5	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-71.4	-58.5	-174.2	-67.2	-178.6	0	0	0	111.8	F88 L154 F510 I522 M556 Y559	F88-L157 HydrophobicContact CE1-CD2 4.18Å; F88-L157 HydrophobicContact CE2-CD1 4.33Å; F88-L157 HydrophobicContact CE2-CD2 3.8Å; F88-L157 HydrophobicContact CE2-CG 4.49Å; F88-L157 HydrophobicContact CZ-CD1 4.43Å; F88-L157 HydrophobicContact CZ-CD2 3.38Å; F88-L157 HydrophobicContact CZ-CG 4.14Å; L154-L157 HydrophobicContact CD1-CD1 4.49Å; L154-L157 PolarHBondContact O-N 3Å; L157-F510 HydrophobicContact CB-CD2 4.35Å; L157-F510 HydrophobicContact CB-CE2 3.96Å; L157-F510 HydrophobicContact CB-CZ 4.24Å; L157-F510 HydrophobicContact CD1-CE2 4.42Å; L157-F510 HydrophobicContact CD2-CE2 4.16Å; L157-F510 HydrophobicContact CG-CE2 4.43Å; L157-I522 WeakPolarHBondContact CD2-O 3.38Å; L157-M556 HydrophobicContact CD1-CE 4.01Å; L157-M556 HydrophobicContact CD1-SD 3.62Å; L157-Y559 HydrophobicContact CD1-CD2 3.48Å; L157-Y559 VanDerWaalsContact CD1-CD2 3.48Å; L157-Y559 HydrophobicContact CD1-CE2 3.69Å; L157-Y559 HydrophobicContact CD1-CG 4.42Å
158	Y	65.1	Low	82.1	Confident	10 Å²	10	24.8 Å²	24.8	4%	0.039	14%	0.137	C	C	.	.	S	Bend	trans	-140.9	169.5	178.5	62.7	-86	0	0	0	111	L8 V51 L154 C160 R179 F510 Y559	L8-Y158 HydrophobicContact CD1-CD2 4.08Å; L8-Y158 HydrophobicContact CD1-CE2 3.69Å; V51-Y158 HydrophobicContact CB-CD2 4.28Å; V51-Y158 HydrophobicContact CB-CE2 4.46Å; V51-Y158 HydrophobicContact CG1-CD2 4.39Å; V51-Y158 HydrophobicContact CG1-CE2 4.11Å; V51-Y158 HydrophobicContact CG2-CD1 4.47Å; V51-Y158 HydrophobicContact CG2-CG 4.46Å; L154-Y158 HydrophobicContact CD1-CE1 3.66Å; L154-Y158 HydrophobicContact CG-CE1 4.48Å; Y158-C160 HydrophobicContact CD2-CB 3.91Å; Y158-C160 HydrophobicContact CE2-CB 3.46Å; Y158-C160 VanDerWaalsContact CE2-CB 3.46Å; Y158-C160 PolarHBondContact O-N 2.91Å; Y158-R179 VanDerWaalsContact C-NH1 3.34Å; Y158-R179 VanDerWaalsContact CA-NH2 3.3Å; Y158-R179 PolarHBondContact O-NH1 3.48Å; Y158-F510 HydrophobicContact CD1-CD1 4.05Å; Y158-F510 AromaticContact CD1-CE1 3.46Å; Y158-F510 HydrophobicContact CD1-CE1 3.46Å; Y158-F510 VanDerWaalsContact CD1-CE1 3.46Å; Y158-F510 AromaticContact CD1-CZ 3.9Å; Y158-F510 HydrophobicContact CD1-CZ 3.9Å; Y158-F510 HydrophobicContact CE1-CE1 4.22Å; Y158-F510 HydrophobicContact CE1-CZ 4.47Å; Y158-F510 HydrophobicContact CG-CD1 4.28Å; Y158-F510 HydrophobicContact CG-CE1 4.08Å; Y158-Y559 AromaticContact CE1-CE2 3.86Å; Y158-Y559 HydrophobicContact CE1-CE2 3.86Å; Y158-Y559 VanDerWaalsContact CE1-OH 3.29Å; Y158-Y559 WeakPolarHBondContact CE1-OH 3.07Å
159	N	62.3	Low	82.3	Confident	32 Å²	32	26.3 Å²	26.3	17%	0.171	14%	0.141	C	C	.	.			trans	-73.1	81.4	178.3	-160.5	31.4	0	0	0	110	R179	N159-R179 VanDerWaalsContact CA-NH1 3.34Å
160	C	65	Low	82.4	Confident	8 Å²	8	22.8 Å²	22.8	5%	0.054	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-100.3	146.4	172.9	68.6	0	0	0	0	110.6	L154 Y158	L154-C160 HydrophobicContact CD2-CB 4.46Å; L154-C160 HydrophobicContact CG-CB 4.42Å; L154-C160 VanDerWaalsContact CG-SG 3.55Å; Y158-C160 HydrophobicContact CD2-CB 3.91Å; Y158-C160 HydrophobicContact CE2-CB 3.46Å; Y158-C160 VanDerWaalsContact CE2-CB 3.46Å; Y158-C160 PolarHBondContact O-N 2.91Å
161	T	74.7	Confident	82.6	Confident	67 Å²	67	26.3 Å²	26.3	41%	0.411	15%	0.154	S	C	.	.	B	Isolated β-bridge	trans	-69.4	148.1	161.5	52.6	0	0	0	0	109.1	G119 T120 T163	G119-T161 VanDerWaalsContact O-CG2 3.29Å; G119-T161 WeakPolarHBondContact O-CG2 3.43Å; T120-T161 CarbonylContact O-C 3.36Å; T120-T161 VanDerWaalsContact O-CA 3.29Å; T120-T161 WeakPolarHBondContact O-CA 3.37Å; T161-T163 PolarHBondContact O-N 3.4Å
162	R	82.3	Confident	82.9	Confident	17 Å²	17	25.9 Å²	25.9	6%	0.064	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-59.9	124.5	178.3	-63	-69.2	-160.8	-172.4	2.2	109.1	I116 Q117 E118 G119 T120 G122 H124 G152 A155 A164	I116-R162 HydrophobicContact CG2-CB 3.54Å; I116-R162 VanDerWaalsContact CG2-CD 3.48Å; I116-R162 HydrophobicContact CG2-CG 3.49Å; I116-R162 VanDerWaalsContact CG2-CG 3.49Å; Q117-R162 WeakPolarHBondContact O-CB 3.4Å; E118-R162 CarbonylContact C-O 3.58Å; E118-R162 WeakPolarHBondContact CA-O 3.24Å; G119-R162 PolarHBondContact N-O 3.45Å; T120-R162 VanDerWaalsContact O-CG 3.25Å; T120-R162 WeakPolarHBondContact O-CG 3.44Å; T120-R162 PolarHBondContact O-N 3.5Å; G122-R162 VanDerWaalsContact CA-CZ 3.43Å; H124-R162 PolarHBondContact O-NH1 3.32Å; H124-R162 PolarHBondContact O-NH2 3.03Å; G152-R162 VanDerWaalsContact CA-NH1 3.3Å; G152-R162 PolarHBondContact O-NH1 2.83Å; A155-R162 VanDerWaalsContact CB-NH1 3.3Å; R162-A164 VanDerWaalsContact C-N 3.34Å
163	T	82	Confident	83.4	Confident	58 Å²	58	29.4 Å²	29.4	36%	0.356	16%	0.163	S	C	.	.	S	Bend	trans	-82.9	-11.4	-173.9	55.9	0	0	0	0	114.1	L154 T161	L154-T163 HydrophobicContact CD2-CG2 3.91Å; T161-T163 PolarHBondContact O-N 3.4Å
164	A	87.7	Confident	84.1	Confident	16 Å²	16	27.5 Å²	27.5	13%	0.132	15%	0.154	C	C	.	.	S	Bend	trans	-151.8	157.4	177.2	0	0	0	0	0	109.6	I116 V135 S136 L142 R162	I116-A164 VanDerWaalsContact CG2-O 3.25Å; I116-A164 WeakPolarHBondContact CG2-O 3.47Å; V135-A164 HydrophobicContact CG1-CB 3.88Å; S136-A164 CarbonylContact O-C 3.46Å; S136-A164 WeakPolarHBondContact O-CA 3.24Å; S136-A164 WeakPolarHBondContact O-CB 3.44Å; L142-A164 HydrophobicContact CD1-CB 4.36Å; R162-A164 VanDerWaalsContact C-N 3.34Å
165	S	92.8	Very high	85.1	Confident	13 Å²	13	27.9 Å²	27.9	9%	0.091	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	146.4	170.5	-56.8	0	0	0	0	110.6	I116 E118 V135 S136	I116-S165 CarbonylContact O-C 3.55Å; I116-S165 VanDerWaalsContact O-CA 3.27Å; I116-S165 WeakPolarHBondContact O-CA 3.43Å; E118-S165 WeakPolarHBondContact CB-OG 3.27Å; E118-S165 PolarHBondContact N-OG 2.9Å; V135-S165 CarbonylContact C-O 3.53Å; V135-S165 WeakPolarHBondContact CA-O 3.37Å; S136-S165 PolarHBondContact N-O 3.07Å; S136-S165 PolarHBondContact O-N 3.03Å
166	V	94.9	Very high	86.2	Confident	7 Å²	7	27.9 Å²	27.9	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.2	173.3	-175.3	0	0	0	0	108.3	V115 I116 L133 Q134 V135 M145 F151	V115-V166 PolarHBondContact N-O 3.43Å; I116-V166 HydrophobicContact CB-CB 3.97Å; I116-V166 HydrophobicContact CB-CG2 4.03Å; I116-V166 HydrophobicContact CD1-CG2 4.23Å; I116-V166 HydrophobicContact CG1-CB 4.45Å; I116-V166 HydrophobicContact CG1-CG2 4.45Å; I116-V166 PolarHBondContact N-O 2.86Å; I116-V166 PolarHBondContact O-N 3.06Å; L133-V166 HydrophobicContact CB-CG1 4Å; L133-V166 HydrophobicContact CD1-CG1 4.28Å; L133-V166 HydrophobicContact CD2-CG1 3.99Å; L133-V166 HydrophobicContact CG-CG1 4.33Å; Q134-V166 CarbonylContact O-C 3.49Å; Q134-V166 VanDerWaalsContact O-CA 3.31Å; Q134-V166 WeakPolarHBondContact O-CA 3.3Å; V135-V166 HydrophobicContact CG2-CG2 4.36Å; M145-V166 HydrophobicContact CE-CG1 4.04Å; M145-V166 HydrophobicContact CE-CG2 4.27Å; F151-V166 HydrophobicContact CD2-CB 4.43Å; F151-V166 HydrophobicContact CD2-CG1 4.2Å; F151-V166 HydrophobicContact CD2-CG2 4.05Å; F151-V166 HydrophobicContact CE2-CB 4.26Å; F151-V166 HydrophobicContact CE2-CG1 3.86Å; F151-V166 HydrophobicContact CE2-CG2 4.38Å; F151-V166 HydrophobicContact CZ-CG1 4.31Å
167	K	96.2	Very high	87	Confident	61 Å²	61	28.1 Å²	28.1	27%	0.265	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.8	-176.5	-175	179.7	173.7	-178.2	0	111	N112 Q113 F114 L133 Q134	N112-K167 VanDerWaalsContact CA-CE 3.47Å; N112-K167 WeakPolarHBondContact O-CE 3.44Å; Q113-K167 WeakPolarHBondContact O-CA 3.22Å; F114-K167 HydrophobicContact CD1-CB 3.94Å; F114-K167 HydrophobicContact CD1-CG 4.41Å; F114-K167 HydrophobicContact CE1-CB 3.94Å; F114-K167 HydrophobicContact CE1-CD 4.29Å; F114-K167 HydrophobicContact CE1-CG 4.36Å; F114-K167 HydrophobicContact CE2-CD 4.29Å; F114-K167 HydrophobicContact CZ-CD 4.03Å; F114-K167 HydrophobicContact CZ-CG 4.49Å; L133-K167 CarbonylContact C-O 3.41Å; L133-K167 WeakPolarHBondContact CA-O 3.46Å; Q134-K167 PolarHBondContact N-O 3.46Å; Q134-K167 PolarHBondContact O-N 3.19Å
168	A	97	Very high	88.1	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.1	173.6	0	0	0	0	0	111.3	V109 D110 N112 Q113 L133 S170 V172	V109-A168 HydrophobicContact CG1-CB 3.98Å; D110-A168 WeakPolarHBondContact O-CB 3.34Å; N112-A168 VanDerWaalsContact CA-O 3.3Å; N112-A168 WeakPolarHBondContact CA-O 3.47Å; N112-A168 PolarHBondContact N-O 3.11Å; Q113-A168 PolarHBondContact O-N 3.47Å; L133-A168 HydrophobicContact CD2-CB 4.13Å; A168-S170 WeakPolarHBondContact CB-O 3.41Å; A168-V172 HydrophobicContact CB-CB 4.39Å; A168-V172 HydrophobicContact CB-CG2 3.97Å
169	L	96.4	Very high	89	Confident	49 Å²	49	30.8 Å²	30.8	26%	0.257	17%	0.169	S	C	.	.	S	Bend	trans	-94.3	-28.7	175.2	-63.7	-173.9	0	0	0	112.2	E132 Q134	E132-L169 HydrophobicContact CB-CB 4.31Å; E132-L169 HydrophobicContact CG-CB 4.48Å; E132-L169 HydrophobicContact CG-CD1 4.17Å; E132-L169 PolarHBondContact O-N 3.14Å; Q134-L169 HydrophobicContact CB-CD1 3.97Å; Q134-L169 HydrophobicContact CB-CD2 4.03Å; Q134-L169 HydrophobicContact CB-CG 3.95Å
170	S	96.3	Very high	90	Very high	35 Å²	35	30.8 Å²	30.8	25%	0.245	17%	0.173	C	C	.	.	S	Bend	trans	-121.6	174.7	168.7	72	0	0	0	0	109.3	G131 E132 A168 V172	G131-S170 WeakPolarHBondContact CA-OG 3.25Å; E132-S170 PolarHBondContact N-OG 3Å; A168-S170 WeakPolarHBondContact CB-O 3.41Å; S170-V172 WeakPolarHBondContact O-CG2 3.25Å; S170-V172 PolarHBondContact O-N 3.18Å
171	P	96.6	Very high	91	Very high	94 Å²	94	31.2 Å²	31.2	61%	0.61	18%	0.175	S	C	*	.			trans	-53.3	130.5	158.6	-23.3	35.3	0	0	0	109.2	V109 G131	V109-P171 WeakPolarHBondContact O-CA 3.37Å; G131-P171 WeakPolarHBondContact CA-O 3.46Å
172	V	96.3	Very high	91.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.4	-174.7	168.1	0	0	0	0	109.2	V109 A130 L133 A168 S170 L174	V109-V172 PolarHBondContact N-O 3.23Å; V109-V172 PolarHBondContact O-N 3.41Å; A130-V172 VanDerWaalsContact O-CA 3.28Å; A130-V172 WeakPolarHBondContact O-CA 3.31Å; A130-V172 WeakPolarHBondContact O-CG1 3.4Å; L133-V172 HydrophobicContact CD1-CG1 4.22Å; L133-V172 HydrophobicContact CD2-CB 4.35Å; L133-V172 HydrophobicContact CD2-CG1 4.02Å; L133-V172 HydrophobicContact CD2-CG2 3.89Å; L133-V172 HydrophobicContact CG-CG1 4.12Å; L133-V172 HydrophobicContact CG-CG2 3.99Å; A168-V172 HydrophobicContact CB-CB 4.39Å; A168-V172 HydrophobicContact CB-CG2 3.97Å; S170-V172 WeakPolarHBondContact O-CG2 3.25Å; S170-V172 PolarHBondContact O-N 3.18Å; V172-L174 HydrophobicContact CG1-CD2 3.4Å; V172-L174 VanDerWaalsContact CG1-CD2 3.4Å; V172-L174 HydrophobicContact CG1-CG 3.8Å
173	K	96.5	Very high	91.5	Very high	88 Å²	88	28.1 Å²	28.1	38%	0.383	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.5	168.5	-64.3	-164.4	159.7	-135.5	0	109.6	E106 D108 A129 A130	E106-K173 IonicContact OE1-NZ 2.75Å; E106-K173 PolarHBondContact OE1-NZ 3.28Å; D108-K173 VanDerWaalsContact OD1-CE 3.25Å; D108-K173 WeakPolarHBondContact OD1-CE 3.36Å; D108-K173 WeakPolarHBondContact OD1-CG 3.5Å; D108-K173 IonicContact OD1-NZ 3.67Å; A129-K173 HydrophobicContact CB-CB 4.08Å; A129-K173 WeakPolarHBondContact CB-O 3.41Å; A129-K173 PolarHBondContact N-O 2.86Å; A130-K173 HydrophobicContact CB-CB 3.97Å; A130-K173 HydrophobicContact CB-CG 4.15Å; A130-K173 PolarHBondContact N-O 3.4Å; A130-K173 PolarHBondContact O-N 3.43Å; A130-K173 VanDerWaalsContact O-N 3.07Å
174	L	96.6	Very high	91.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.7	-178.9	-57.1	175.4	0	0	0	110.6	E106 R107 V109 V115 Y126 V127 A128 L133 F151 V172 V176	E106-L174 CarbonylContact C-O 3.48Å; E106-L174 WeakPolarHBondContact CA-O 3.46Å; R107-L174 PolarHBondContact N-O 3.43Å; R107-L174 PolarHBondContact O-N 2.92Å; V109-L174 HydrophobicContact CG2-CD1 3.8Å; V115-L174 HydrophobicContact CB-CD1 4.37Å; V115-L174 HydrophobicContact CG1-CD1 3.47Å; V115-L174 VanDerWaalsContact CG1-CD1 3.47Å; V115-L174 HydrophobicContact CG2-CD1 3.92Å; Y126-L174 HydrophobicContact CD1-CB 4.38Å; Y126-L174 HydrophobicContact CD1-CD1 3.77Å; Y126-L174 HydrophobicContact CE1-CD1 4.33Å; Y126-L174 HydrophobicContact CG-CD1 4.45Å; V127-L174 CarbonylContact O-C 3.53Å; V127-L174 WeakPolarHBondContact O-CA 3.45Å; A128-L174 HydrophobicContact CB-CD2 4.39Å; L133-L174 HydrophobicContact CD1-CD2 4.2Å; F151-L174 HydrophobicContact CE1-CD2 4.03Å; F151-L174 HydrophobicContact CZ-CD1 4.41Å; F151-L174 HydrophobicContact CZ-CD2 3.85Å; V172-L174 HydrophobicContact CG1-CD2 3.4Å; V172-L174 VanDerWaalsContact CG1-CD2 3.4Å; V172-L174 HydrophobicContact CG1-CG 3.8Å; L174-V176 HydrophobicContact CB-CG2 4.41Å
175	W	96.2	Very high	91.3	Very high	21 Å²	21	25.3 Å²	25.3	8%	0.08	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.9	156.7	-63.1	101.5	0	0	0	108.9	K71 A75 I79 A104 Y105 E106 Y126 V127	K71-W175 HydrophobicContact CB-CH2 4.4Å; K71-W175 HydrophobicContact CD-CE3 4.02Å; K71-W175 HydrophobicContact CD-CH2 3.82Å; K71-W175 HydrophobicContact CD-CZ2 4.35Å; K71-W175 HydrophobicContact CD-CZ3 3.62Å; K71-W175 HydrophobicContact CG-CH2 3.63Å; K71-W175 HydrophobicContact CG-CZ2 4.42Å; K71-W175 HydrophobicContact CG-CZ3 3.71Å; A75-W175 HydrophobicContact CB-CH2 4.33Å; A75-W175 HydrophobicContact CB-CZ2 3.53Å; I79-W175 HydrophobicContact CD1-CB 4.2Å; I79-W175 HydrophobicContact CD1-CD2 3.57Å; I79-W175 HydrophobicContact CD1-CE3 4.04Å; I79-W175 HydrophobicContact CD1-CG 3.61Å; I79-W175 HydrophobicContact CG1-CB 4.06Å; I79-W175 VanDerWaalsContact CG1-CD1 3.46Å; I79-W175 HydrophobicContact CG1-CD2 4.06Å; I79-W175 HydrophobicContact CG1-CG 3.57Å; A104-W175 HydrophobicContact CB-CB 4.18Å; A104-W175 HydrophobicContact CB-CE3 4.43Å; Y105-W175 CarbonylContact O-C 3.56Å; Y105-W175 WeakPolarHBondContact O-CA 3.46Å; E106-W175 HydrophobicContact CB-CE3 4.29Å; E106-W175 HydrophobicContact CB-CH2 4.12Å; E106-W175 HydrophobicContact CB-CZ3 3.84Å; Y126-W175 CarbonylContact C-O 3.6Å; Y126-W175 VanDerWaalsContact CA-O 3.3Å; Y126-W175 WeakPolarHBondContact CA-O 3.42Å; V127-W175 HydrophobicContact CB-CB 4.14Å; V127-W175 PolarHBondContact N-O 2.97Å; V127-W175 PolarHBondContact O-N 3.43Å
176	V	94.4	Very high	90.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135	-175	-167.4	0	0	0	0	109.3	A104 Y105 R107 H124 L125 Y126 L174	A104-V176 CarbonylContact C-O 3.59Å; A104-V176 VanDerWaalsContact CA-O 3.24Å; A104-V176 WeakPolarHBondContact CA-O 3.32Å; Y105-V176 HydrophobicContact CD1-CB 4.37Å; Y105-V176 WeakPolarHBondContact CD1-O 3.36Å; Y105-V176 HydrophobicContact CD2-CB 4.13Å; Y105-V176 HydrophobicContact CD2-CG2 4.43Å; Y105-V176 HydrophobicContact CE1-CB 3.96Å; Y105-V176 HydrophobicContact CE1-CG1 4.11Å; Y105-V176 HydrophobicContact CE2-CB 3.7Å; Y105-V176 HydrophobicContact CE2-CG1 4.13Å; Y105-V176 HydrophobicContact CE2-CG2 4.03Å; Y105-V176 HydrophobicContact CG-CB 4.45Å; Y105-V176 PolarHBondContact N-O 3.22Å; Y105-V176 PolarHBondContact O-N 3.23Å; Y105-V176 WeakPolarHBondContact OH-CG1 3.26Å; R107-V176 HydrophobicContact CB-CG2 3.58Å; R107-V176 HydrophobicContact CG-CG2 4.48Å; H124-V176 HydrophobicContact CB-CG1 3.9Å; L125-V176 WeakPolarHBondContact O-CA 3.47Å; Y126-V176 HydrophobicContact CD1-CB 4.44Å; Y126-V176 HydrophobicContact CD1-CG1 4.15Å; Y126-V176 HydrophobicContact CD1-CG2 3.85Å; Y126-V176 HydrophobicContact CE1-CB 4.48Å; Y126-V176 HydrophobicContact CE1-CG1 3.85Å; Y126-V176 HydrophobicContact CE1-CG2 3.91Å; L174-V176 HydrophobicContact CB-CG2 4.41Å
177	L	91.6	Very high	90	Very high	7 Å²	7	25 Å²	25	4%	0.037	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.8	169.3	-170.8	76.9	0	0	0	109	M100 C103 H124 L125 V181 F182	M100-L177 HydrophobicContact CB-CD2 4.15Å; M100-L177 HydrophobicContact CE-CD2 3.51Å; M100-L177 HydrophobicContact CG-CD2 3.79Å; M100-L177 HydrophobicContact SD-CD2 4.37Å; C103-L177 HydrophobicContact CB-CD1 3.93Å; H124-L177 WeakPolarHBondContact CA-O 3.48Å; L125-L177 HydrophobicContact CB-CB 4.3Å; L125-L177 HydrophobicContact CD2-CB 4.45Å; L125-L177 HydrophobicContact CD2-CD2 4.43Å; L125-L177 PolarHBondContact N-O 3.31Å; L125-L177 PolarHBondContact O-N 3.27Å; L177-V181 HydrophobicContact CD1-CB 4.21Å; L177-V181 HydrophobicContact CD1-CG1 3.64Å; L177-V181 HydrophobicContact CG-CG1 4.44Å; L177-F182 HydrophobicContact CD2-CB 3.95Å; L177-F182 HydrophobicContact CD2-CD2 4.21Å
178	D	88.9	Confident	89.1	Confident	46 Å²	46	26.3 Å²	26.3	25%	0.246	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	145.3	178.3	-50	-50.4	0	0	0	110.3	Y105 H124 A180 V181 F182	Y105-D178 WeakPolarHBondContact CE1-OD2 3.47Å; Y105-D178 PolarHBondContact OH-OD1 2.94Å; H124-D178 IonicContact CD2-OD1 2.66Å; H124-D178 PolarHBondContact CD2-OD1 2.91Å; H124-D178 IonicContact NE2-OD1 2.75Å; H124-D178 PolarHBondContact NE2-OD1 2.91Å; D178-A180 PolarHBondContact O-N 3.13Å; D178-V181 HydrophobicContact CB-CB 4.45Å; D178-V181 HydrophobicContact CB-CG2 4.11Å; D178-V181 WeakPolarHBondContact O-CB 3.49Å; D178-V181 PolarHBondContact O-N 3.14Å; D178-F182 PolarHBondContact O-N 3.06Å
179	R	84.1	Confident	88	Confident	27 Å²	27	28.8 Å²	28.8	10%	0.102	15%	0.15	C	C	.	.	H	α-helix	trans	-52.9	-40.3	174.5	177.2	-179.1	-174.2	178.4	-5.5	112	A53 T123 A155 L156 Y158 N159 V181 F182 Q183	A53-R179 VanDerWaalsContact CB-NH2 3.29Å; T123-R179 VanDerWaalsContact O-CB 3.31Å; T123-R179 WeakPolarHBondContact O-CB 3.47Å; T123-R179 PolarHBondContact O-N 3.3Å; A155-R179 VanDerWaalsContact O-CD 3.28Å; A155-R179 WeakPolarHBondContact O-CD 3.36Å; L156-R179 HydrophobicContact CD2-CB 4.03Å; L156-R179 PolarHBondContact O-NE 3.39Å; Y158-R179 VanDerWaalsContact C-NH1 3.34Å; Y158-R179 VanDerWaalsContact CA-NH2 3.3Å; Y158-R179 PolarHBondContact O-NH1 3.48Å; N159-R179 VanDerWaalsContact CA-NH1 3.34Å; R179-V181 VanDerWaalsContact C-N 3.31Å; R179-V181 PolarHBondContact O-N 2.88Å; R179-F182 PolarHBondContact O-N 3.18Å; R179-Q183 HydrophobicContact CG-CG 4.25Å; R179-Q183 WeakPolarHBondContact O-CB 3.32Å; R179-Q183 WeakPolarHBondContact O-CG 3.43Å; R179-Q183 PolarHBondContact O-N 2.96Å
180	A	82.8	Confident	86.8	Confident	31 Å²	31	27.3 Å²	27.3	26%	0.256	15%	0.147	S	C	.	.	H	α-helix	trans	-61.8	-42.1	179.6	0	0	0	0	0	112.4	I56 D178 M184	I56-A180 HydrophobicContact CD1-CB 3.2Å; D178-A180 PolarHBondContact O-N 3.13Å; A180-M184 VanDerWaalsContact O-CB 3.26Å; A180-M184 WeakPolarHBondContact O-CB 3.37Å; A180-M184 PolarHBondContact O-N 3.25Å
181	V	87	Confident	85.9	Confident	17 Å²	17	28.1 Å²	28.1	10%	0.103	15%	0.148	C	C	.	.	H	α-helix	trans	-68.9	-45.3	177.1	177.3	0	0	0	0	110	L66 C103 L177 D178 R179 Q183 M184 I185	L66-V181 HydrophobicContact CD2-CG1 3.98Å; C103-V181 HydrophobicContact CB-CG1 3.58Å; L177-V181 HydrophobicContact CD1-CB 4.21Å; L177-V181 HydrophobicContact CD1-CG1 3.64Å; L177-V181 HydrophobicContact CG-CG1 4.44Å; D178-V181 HydrophobicContact CB-CB 4.45Å; D178-V181 HydrophobicContact CB-CG2 4.11Å; D178-V181 WeakPolarHBondContact O-CB 3.49Å; D178-V181 PolarHBondContact O-N 3.14Å; R179-V181 VanDerWaalsContact C-N 3.31Å; R179-V181 PolarHBondContact O-N 2.88Å; V181-Q183 PolarHBondContact O-N 3.43Å; V181-M184 PolarHBondContact O-N 2.84Å; V181-I185 HydrophobicContact CG1-CD1 3.73Å; V181-I185 HydrophobicContact CG1-CG1 4.35Å; V181-I185 VanDerWaalsContact O-CG1 3.23Å; V181-I185 WeakPolarHBondContact O-CG1 3.41Å; V181-I185 PolarHBondContact O-N 3.11Å
182	F	86.9	Confident	85	Confident	3 Å²	3	26.8 Å²	26.8	1%	0.013	13%	0.134	C	C	.	.	H	α-helix	trans	-57	-50.1	175.2	174.6	-98.3	0	0	0	112.7	F88 L89 L92 M100 L156 L177 D178 R179 M184 I185 T186	F88-F182 HydrophobicContact CE1-CZ 4.25Å; F88-F182 HydrophobicContact CZ-CZ 4.37Å; L89-F182 HydrophobicContact CD2-CE2 3.99Å; L89-F182 HydrophobicContact CD2-CZ 4.48Å; L92-F182 HydrophobicContact CD1-CE2 3.93Å; M100-F182 HydrophobicContact CE-CD2 3.77Å; M100-F182 HydrophobicContact CE-CE2 4.02Å; M100-F182 HydrophobicContact SD-CD2 4.03Å; M100-F182 HydrophobicContact SD-CE2 4.16Å; L156-F182 HydrophobicContact CB-CD1 3.77Å; L156-F182 HydrophobicContact CB-CE1 3.96Å; L156-F182 HydrophobicContact CB-CG 4.29Å; L156-F182 HydrophobicContact CD1-CB 4.34Å; L156-F182 HydrophobicContact CD1-CD1 4.04Å; L156-F182 HydrophobicContact CD1-CD2 3.79Å; L156-F182 HydrophobicContact CD1-CE1 4.28Å; L156-F182 HydrophobicContact CD1-CE2 4.04Å; L156-F182 HydrophobicContact CD1-CG 3.77Å; L156-F182 HydrophobicContact CD1-CZ 4.28Å; L156-F182 HydrophobicContact CD2-CB 3.96Å; L156-F182 HydrophobicContact CD2-CD1 4.36Å; L156-F182 HydrophobicContact CD2-CG 4.16Å; L156-F182 HydrophobicContact CG-CD1 4.3Å; L156-F182 HydrophobicContact CG-CG 4.32Å; L177-F182 HydrophobicContact CD2-CB 3.95Å; L177-F182 HydrophobicContact CD2-CD2 4.21Å; D178-F182 PolarHBondContact O-N 3.06Å; R179-F182 PolarHBondContact O-N 3.18Å; F182-M184 VanDerWaalsContact C-N 3.32Å; F182-M184 PolarHBondContact O-N 3.19Å; F182-I185 PolarHBondContact O-N 2.9Å; F182-T186 HydrophobicContact CD2-CG2 4.37Å; F182-T186 HydrophobicContact CE1-CG2 4.26Å; F182-T186 HydrophobicContact CE2-CG2 3.93Å; F182-T186 HydrophobicContact CZ-CG2 3.87Å; F182-T186 WeakPolarHBondContact O-CG2 3.49Å; F182-T186 PolarHBondContact O-N 3.26Å; F182-T186 PolarHBondContact O-OG1 2.9Å
183	Q	79.9	Confident	84	Confident	16 Å²	16	30.8 Å²	30.8	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-41.8	177.6	-75	-177.9	-25.6	0	0	110.9	R179 V181 T186 M187	R179-Q183 HydrophobicContact CG-CG 4.25Å; R179-Q183 WeakPolarHBondContact O-CB 3.32Å; R179-Q183 WeakPolarHBondContact O-CG 3.43Å; R179-Q183 PolarHBondContact O-N 2.96Å; V181-Q183 PolarHBondContact O-N 3.43Å; Q183-T186 WeakPolarHBondContact CA-OG1 3.24Å; Q183-T186 PolarHBondContact O-OG1 3.06Å; Q183-M187 WeakPolarHBondContact O-CB 3.3Å; Q183-M187 WeakPolarHBondContact O-CG 3.47Å; Q183-M187 PolarHBondContact O-N 2.93Å
184	M	81.8	Confident	83.3	Confident	16 Å²	16	27.6 Å²	27.6	8%	0.079	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-45.2	176.4	-178.6	173.2	-64.6	0	0	112.3	V64 L66 A180 V181 F182 R188	V64-M184 HydrophobicContact CB-CE 3.5Å; V64-M184 HydrophobicContact CG1-CE 3.53Å; V64-M184 HydrophobicContact CG1-SD 4.34Å; V64-M184 VanDerWaalsContact O-CE 3.23Å; V64-M184 WeakPolarHBondContact O-CE 3.45Å; L66-M184 HydrophobicContact CD2-CB 4.34Å; L66-M184 HydrophobicContact CD2-CG 4.02Å; L66-M184 HydrophobicContact CD2-SD 3.74Å; L66-M184 HydrophobicContact CG-CG 4.4Å; L66-M184 HydrophobicContact CG-SD 3.82Å; A180-M184 VanDerWaalsContact O-CB 3.26Å; A180-M184 WeakPolarHBondContact O-CB 3.37Å; A180-M184 PolarHBondContact O-N 3.25Å; V181-M184 PolarHBondContact O-N 2.84Å; F182-M184 VanDerWaalsContact C-N 3.32Å; F182-M184 PolarHBondContact O-N 3.19Å; M184-R188 HydrophobicContact CG-CB 4.46Å; M184-R188 WeakPolarHBondContact O-CA 3.23Å; M184-R188 WeakPolarHBondContact O-CB 3.23Å; M184-R188 PolarHBondContact O-N 3.14Å
185	I	85	Confident	82.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-49.8	179.3	-69.1	169.3	0	0	0	110.1	L66 Q96 E99 M100 C103 V181 F182 L189	L66-I185 HydrophobicContact CD1-CG1 4.41Å; L66-I185 HydrophobicContact CD2-CD1 4.35Å; L66-I185 HydrophobicContact CD2-CG1 3.76Å; Q96-I185 HydrophobicContact CB-CG2 4.08Å; Q96-I185 HydrophobicContact CG-CG2 4.4Å; E99-I185 HydrophobicContact CB-CD1 4.13Å; E99-I185 HydrophobicContact CB-CG1 4.23Å; E99-I185 HydrophobicContact CB-CG2 3.89Å; E99-I185 HydrophobicContact CG-CD1 3.82Å; E99-I185 HydrophobicContact CG-CG1 3.68Å; E99-I185 HydrophobicContact CG-CG2 4.17Å; M100-I185 HydrophobicContact CB-CD1 4.45Å; M100-I185 HydrophobicContact CG-CD1 3.83Å; M100-I185 HydrophobicContact CG-CG2 4.25Å; C103-I185 HydrophobicContact CB-CD1 4.28Å; V181-I185 HydrophobicContact CG1-CD1 3.73Å; V181-I185 HydrophobicContact CG1-CG1 4.35Å; V181-I185 VanDerWaalsContact O-CG1 3.23Å; V181-I185 WeakPolarHBondContact O-CG1 3.41Å; V181-I185 PolarHBondContact O-N 3.11Å; F182-I185 PolarHBondContact O-N 2.9Å; I185-L189 HydrophobicContact CG2-CD1 3.93Å; I185-L189 WeakPolarHBondContact O-CB 3.28Å; I185-L189 WeakPolarHBondContact O-CG 3.45Å; I185-L189 PolarHBondContact O-N 3.22Å
186	T	81.2	Confident	82.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-41.4	-178.2	48.7	0	0	0	0	112.3	L92 F182 Q183 G190 N524	L92-T186 HydrophobicContact CD2-CG2 4.01Å; F182-T186 HydrophobicContact CD2-CG2 4.37Å; F182-T186 HydrophobicContact CE1-CG2 4.26Å; F182-T186 HydrophobicContact CE2-CG2 3.93Å; F182-T186 HydrophobicContact CZ-CG2 3.87Å; F182-T186 WeakPolarHBondContact O-CG2 3.49Å; F182-T186 PolarHBondContact O-N 3.26Å; F182-T186 PolarHBondContact O-OG1 2.9Å; Q183-T186 WeakPolarHBondContact CA-OG1 3.24Å; Q183-T186 PolarHBondContact O-OG1 3.06Å; T186-G190 PolarHBondContact O-N 3.4Å; T186-N524 PolarHBondContact OG1-ND2 3.2Å
187	M	78.4	Confident	81.7	Confident	12 Å²	12	38.5 Å²	38.5	6%	0.059	19%	0.189	C	C	.	.	H	α-helix	trans	-72.7	-51.1	176.7	-68.9	179	64.9	0	0	113.8	P55 Q183 G190 L191 W508	P55-M187 HydrophobicContact CB-CE 3.63Å; P55-M187 HydrophobicContact CB-SD 3.39Å; P55-M187 WeakPolarHBondContact CB-SD 3.2Å; P55-M187 HydrophobicContact CG-CE 4.22Å; Q183-M187 WeakPolarHBondContact O-CB 3.3Å; Q183-M187 WeakPolarHBondContact O-CG 3.47Å; Q183-M187 PolarHBondContact O-N 2.93Å; M187-G190 PolarHBondContact O-N 3.22Å; M187-L191 VanDerWaalsContact O-CB 3.23Å; M187-L191 WeakPolarHBondContact O-CB 3.36Å; M187-L191 VanDerWaalsContact O-CG 3.28Å; M187-L191 WeakPolarHBondContact O-CG 3.31Å; M187-L191 PolarHBondContact O-N 2.9Å; M187-W508 HydrophobicContact CB-CE3 4.18Å; M187-W508 HydrophobicContact CB-CZ3 4.22Å; M187-W508 HydrophobicContact CE-CB 3.78Å; M187-W508 HydrophobicContact CE-CD2 4.34Å; M187-W508 HydrophobicContact CE-CG 3.86Å; M187-W508 HydrophobicContact CG-CB 4.43Å; M187-W508 HydrophobicContact CG-CD2 3.93Å; M187-W508 HydrophobicContact CG-CE3 3.49Å; M187-W508 VanDerWaalsContact CG-CE3 3.49Å; M187-W508 HydrophobicContact CG-CG 4.32Å; M187-W508 HydrophobicContact CG-CZ3 3.94Å; M187-W508 HydrophobicContact SD-CB 4.26Å
188	R	78.2	Confident	81.5	Confident	90 Å²	90	38.5 Å²	38.5	34%	0.34	19%	0.189	S	C	.	.	H	α-helix	trans	-65.6	-49.8	-172.1	-178.3	-177.6	176.1	-177.3	-0.2	110.9	Y58 M184 G190 L191 Q192	Y58-R188 HydrophobicContact CE2-CB 4.32Å; Y58-R188 HydrophobicContact CE2-CG 4.09Å; M184-R188 HydrophobicContact CG-CB 4.46Å; M184-R188 WeakPolarHBondContact O-CA 3.23Å; M184-R188 WeakPolarHBondContact O-CB 3.23Å; M184-R188 PolarHBondContact O-N 3.14Å; R188-G190 VanDerWaalsContact C-N 3.33Å; R188-L191 PolarHBondContact O-N 3.15Å; R188-Q192 HydrophobicContact CG-CG 4.39Å; R188-Q192 VanDerWaalsContact O-CB 3.27Å; R188-Q192 WeakPolarHBondContact O-CB 3.48Å; R188-Q192 WeakPolarHBondContact O-CG 3.37Å; R188-Q192 PolarHBondContact O-N 2.85Å
189	L	73	Confident	81.5	Confident	51 Å²	51	39.9 Å²	39.9	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-66	-39.9	179.5	-65	176.8	0	0	0	110.8	E95 Q96 E99 I185 R193	E95-L189 HydrophobicContact CB-CD1 4.37Å; Q96-L189 HydrophobicContact CG-CB 4.44Å; Q96-L189 HydrophobicContact CG-CD1 4.02Å; E99-L189 HydrophobicContact CB-CD1 4.28Å; I185-L189 HydrophobicContact CG2-CD1 3.93Å; I185-L189 WeakPolarHBondContact O-CB 3.28Å; I185-L189 WeakPolarHBondContact O-CG 3.45Å; I185-L189 PolarHBondContact O-N 3.22Å; L189-R193 WeakPolarHBondContact O-CB 3.29Å; L189-R193 PolarHBondContact O-N 3.29Å
190	G	72.1	Confident	81.8	Confident	18 Å²	18	39.6 Å²	39.6	19%	0.186	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-46.1	176.5	0	0	0	0	0	113.1	T186 M187 R188 H194	T186-G190 PolarHBondContact O-N 3.4Å; M187-G190 PolarHBondContact O-N 3.22Å; R188-G190 VanDerWaalsContact C-N 3.33Å; G190-H194 VanDerWaalsContact O-CB 3.25Å; G190-H194 WeakPolarHBondContact O-CB 3.47Å; G190-H194 PolarHBondContact O-N 3.47Å
191	L	76.3	Confident	82.1	Confident	53 Å²	53	38.1 Å²	38.1	28%	0.277	18%	0.184	S	C	.	.	H	α-helix	trans	-64.9	-45.9	176.4	-78.2	172.3	0	0	0	112.1	Y58 M187 R188 H194 E195 W508	Y58-L191 HydrophobicContact CD1-CD1 4.41Å; M187-L191 VanDerWaalsContact O-CB 3.23Å; M187-L191 WeakPolarHBondContact O-CB 3.36Å; M187-L191 VanDerWaalsContact O-CG 3.28Å; M187-L191 WeakPolarHBondContact O-CG 3.31Å; M187-L191 PolarHBondContact O-N 2.9Å; R188-L191 PolarHBondContact O-N 3.15Å; L191-H194 PolarHBondContact O-N 3.05Å; L191-E195 WeakPolarHBondContact O-CB 3.39Å; L191-E195 PolarHBondContact O-N 2.71Å; L191-W508 HydrophobicContact CD2-CZ2 3.84Å; L191-W508 HydrophobicContact CG-CZ2 3.69Å
192	Q	77	Confident	82.2	Confident	66 Å²	66	41.5 Å²	41.5	31%	0.308	20%	0.195	S	C	.	.	H	α-helix	trans	-63.4	-46.1	178.5	-74.1	177.5	-35.4	0	0	110.9	R188 E195 M196	R188-Q192 HydrophobicContact CG-CG 4.39Å; R188-Q192 VanDerWaalsContact O-CB 3.27Å; R188-Q192 WeakPolarHBondContact O-CB 3.48Å; R188-Q192 WeakPolarHBondContact O-CG 3.37Å; R188-Q192 PolarHBondContact O-N 2.85Å; Q192-E195 PolarHBondContact O-N 3.34Å; Q192-M196 HydrophobicContact CB-CE 4.42Å; Q192-M196 VanDerWaalsContact O-CB 3.31Å; Q192-M196 WeakPolarHBondContact O-CB 3.48Å; Q192-M196 WeakPolarHBondContact O-CE 3.22Å; Q192-M196 WeakPolarHBondContact O-CG 3.29Å; Q192-M196 PolarHBondContact O-N 3.46Å
193	R	77	Confident	82.2	Confident	84 Å²	84	47.5 Å²	47.5	32%	0.317	22%	0.223	S	C	.	.	H	α-helix	trans	-58.8	-49.6	175.4	-178.6	178.7	172	-172.8	-1.9	110.7	D93 L189 M196 L197	D93-R193 IonicContact OD2-NH1 3.95Å; D93-R193 PolarHBondContact OD2-NH1 3.24Å; L189-R193 WeakPolarHBondContact O-CB 3.29Å; L189-R193 PolarHBondContact O-N 3.29Å; R193-M196 PolarHBondContact O-N 2.78Å; R193-L197 HydrophobicContact CG-CD1 3.98Å; R193-L197 HydrophobicContact CG-CG 4.48Å; R193-L197 WeakPolarHBondContact O-CB 3.39Å; R193-L197 VanDerWaalsContact O-CG 3.25Å; R193-L197 WeakPolarHBondContact O-CG 3.44Å; R193-L197 PolarHBondContact O-N 2.92Å
194	H	81	Confident	82.5	Confident	22 Å²	22	46.8 Å²	46.8	10%	0.102	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-41.2	-179.5	-167.3	87.3	0	0	0	112.2	G190 L191 L197 M198 S216 D220	G190-H194 VanDerWaalsContact O-CB 3.25Å; G190-H194 WeakPolarHBondContact O-CB 3.47Å; G190-H194 PolarHBondContact O-N 3.47Å; L191-H194 PolarHBondContact O-N 3.05Å; H194-L197 PolarHBondContact O-N 3.2Å; H194-M198 PolarHBondContact NE2-SD 3.25Å; H194-M198 WeakPolarHBondContact O-CB 3.21Å; H194-M198 VanDerWaalsContact O-CG 3.26Å; H194-M198 WeakPolarHBondContact O-CG 3.28Å; H194-M198 PolarHBondContact O-N 2.79Å; H194-S216 PolarHBondContact CE1-O 3Å; H194-S216 PolarHBondContact CE1-OG 2.98Å; H194-S216 PolarHBondContact NE2-OG 3.09Å; H194-D220 IonicContact CE1-OD1 3.34Å; H194-D220 PolarHBondContact CE1-OD1 3.45Å; H194-D220 IonicContact ND1-OD1 3.03Å; H194-D220 PolarHBondContact ND1-OD1 3.22Å
195	E	83.4	Confident	82.5	Confident	104 Å²	104	49.6 Å²	49.6	49%	0.486	24%	0.239	S	C	.	.	H	α-helix	trans	-64.8	-46	176.6	-171.6	170.9	-150.5	0	0	111.2	L191 Q192 L197 M198 D199	L191-E195 WeakPolarHBondContact O-CB 3.39Å; L191-E195 PolarHBondContact O-N 2.71Å; Q192-E195 PolarHBondContact O-N 3.34Å; E195-L197 VanDerWaalsContact C-N 3.35Å; E195-L197 PolarHBondContact O-N 2.83Å; E195-M198 PolarHBondContact O-N 3.5Å; E195-D199 WeakPolarHBondContact O-CB 3.48Å; E195-D199 VanDerWaalsContact O-CG 3.27Å; E195-D199 PolarHBondContact O-N 3.03Å
196	M	84.4	Confident	82.4	Confident	124 Å²	124	49.8 Å²	49.8	61%	0.611	24%	0.24	S	C	*	.	H	α-helix	trans	-60.5	-42.4	174.7	-72.1	-175.8	-60.3	0	0	112.2	Q192 R193 F200	Q192-M196 HydrophobicContact CB-CE 4.42Å; Q192-M196 VanDerWaalsContact O-CB 3.31Å; Q192-M196 WeakPolarHBondContact O-CB 3.48Å; Q192-M196 WeakPolarHBondContact O-CE 3.22Å; Q192-M196 WeakPolarHBondContact O-CG 3.29Å; Q192-M196 PolarHBondContact O-N 3.46Å; R193-M196 PolarHBondContact O-N 2.78Å; M196-F200 WeakPolarHBondContact O-CB 3.26Å; M196-F200 PolarHBondContact O-N 3.23Å
197	L	85.7	Confident	82.7	Confident	21 Å²	21	49.8 Å²	49.8	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-65.7	-46.3	175.5	-74.3	173.5	0	0	0	111.2	R193 H194 E195 D199 F200 L201 A219 L299	R193-L197 HydrophobicContact CG-CD1 3.98Å; R193-L197 HydrophobicContact CG-CG 4.48Å; R193-L197 WeakPolarHBondContact O-CB 3.39Å; R193-L197 VanDerWaalsContact O-CG 3.25Å; R193-L197 WeakPolarHBondContact O-CG 3.44Å; R193-L197 PolarHBondContact O-N 2.92Å; H194-L197 PolarHBondContact O-N 3.2Å; E195-L197 VanDerWaalsContact C-N 3.35Å; E195-L197 PolarHBondContact O-N 2.83Å; L197-D199 PolarHBondContact O-N 2.8Å; L197-F200 PolarHBondContact O-N 3.31Å; L197-L201 VanDerWaalsContact O-CB 3.31Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 2.86Å; L197-A219 HydrophobicContact CB-CB 3.95Å; L197-L299 HydrophobicContact CD2-CD1 3.7Å; L197-L299 HydrophobicContact CD2-CD2 3.45Å; L197-L299 VanDerWaalsContact CD2-CD2 3.45Å; L197-L299 HydrophobicContact CD2-CG 4.23Å
198	M	88.3	Confident	82.8	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.039	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-44.3	176.9	-76.2	-161.4	81.5	0	0	111.7	H194 E195 L201 R202 E212 I215 A219	H194-M198 PolarHBondContact NE2-SD 3.25Å; H194-M198 WeakPolarHBondContact O-CB 3.21Å; H194-M198 VanDerWaalsContact O-CG 3.26Å; H194-M198 WeakPolarHBondContact O-CG 3.28Å; H194-M198 PolarHBondContact O-N 2.79Å; E195-M198 PolarHBondContact O-N 3.5Å; M198-L201 PolarHBondContact O-N 2.85Å; M198-R202 VanDerWaalsContact O-CG 3.28Å; M198-R202 WeakPolarHBondContact O-CG 3.47Å; M198-R202 PolarHBondContact O-N 2.79Å; M198-E212 WeakPolarHBondContact CE-OE2 3.27Å; M198-I215 HydrophobicContact CB-CG2 4.48Å; M198-I215 HydrophobicContact CE-CB 4.23Å; M198-I215 HydrophobicContact CE-CG2 3.9Å; M198-I215 HydrophobicContact CG-CG2 4.33Å; M198-A219 HydrophobicContact CG-CB 4.26Å
199	D	88.4	Confident	82.8	Confident	74 Å²	74	56.7 Å²	56.7	40%	0.396	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-46.8	177.2	-73.2	-15.2	0	0	0	110.9	E195 L197 R202 E203	E195-D199 WeakPolarHBondContact O-CB 3.48Å; E195-D199 VanDerWaalsContact O-CG 3.27Å; E195-D199 PolarHBondContact O-N 3.03Å; L197-D199 PolarHBondContact O-N 2.8Å; D199-R202 PolarHBondContact O-N 2.93Å; D199-R202 IonicContact OD1-NH1 2.99Å; D199-R202 PolarHBondContact OD1-NH1 2.89Å; D199-E203 WeakPolarHBondContact O-CG 3.28Å; D199-E203 PolarHBondContact O-N 3.28Å
200	F	90	Very high	83.3	Confident	21 Å²	21	55.1 Å²	55.1	9%	0.092	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-47.3	175	175.4	-108.4	0	0	0	112.2	M196 L197 R202 E203 V204 I245 I246 K271 L299	M196-F200 WeakPolarHBondContact O-CB 3.26Å; M196-F200 PolarHBondContact O-N 3.23Å; L197-F200 PolarHBondContact O-N 3.31Å; F200-R202 VanDerWaalsContact C-N 3.27Å; F200-R202 PolarHBondContact O-N 2.99Å; F200-E203 WeakPolarHBondContact O-CA 3.36Å; F200-E203 WeakPolarHBondContact O-CB 3.49Å; F200-E203 PolarHBondContact O-N 3.32Å; F200-V204 HydrophobicContact CD1-CG2 4.34Å; F200-V204 HydrophobicContact CE1-CG2 3.87Å; F200-V204 HydrophobicContact CE2-CG2 4.34Å; F200-V204 HydrophobicContact CZ-CG2 3.85Å; F200-V204 WeakPolarHBondContact O-CG2 3.14Å; F200-V204 PolarHBondContact O-N 3.37Å; F200-V204 VanDerWaalsContact O-N 3.12Å; F200-I245 HydrophobicContact CE1-CG2 3.9Å; F200-I245 HydrophobicContact CZ-CG2 3.98Å; F200-I246 VanDerWaalsContact CZ-O 3.27Å; F200-I246 WeakPolarHBondContact CZ-O 3.5Å; F200-K271 HydrophobicContact CE2-CD 4.45Å; F200-K271 HydrophobicContact CE2-CG 3.94Å; F200-L299 HydrophobicContact CD1-CD1 3.63Å; F200-L299 HydrophobicContact CE1-CD1 3.68Å; F200-L299 HydrophobicContact CE1-CG 4.49Å
201	L	89.6	Confident	84	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-30.4	-179.8	-68.9	171.5	0	0	0	112.4	L197 M198 E203 V204 F207 I215 L218 A219 M222 I245 L299	L197-L201 VanDerWaalsContact O-CB 3.31Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 2.86Å; M198-L201 PolarHBondContact O-N 2.85Å; L201-E203 VanDerWaalsContact C-N 3.32Å; L201-V204 PolarHBondContact O-N 3.09Å; L201-F207 HydrophobicContact CB-CD2 4.2Å; L201-F207 HydrophobicContact CD2-CD2 3.7Å; L201-F207 HydrophobicContact CD2-CE2 3.48Å; L201-F207 VanDerWaalsContact CD2-CE2 3.48Å; L201-F207 WeakPolarHBondContact O-CB 3.09Å; L201-I215 HydrophobicContact CB-CG2 3.84Å; L201-I215 HydrophobicContact CD1-CG2 4.26Å; L201-L218 HydrophobicContact CD1-CB 4.1Å; L201-A219 HydrophobicContact CD1-CB 3.86Å; L201-M222 HydrophobicContact CD1-SD 4.2Å; L201-M222 HydrophobicContact CD2-CE 4.1Å; L201-M222 HydrophobicContact CD2-SD 3.64Å; L201-I245 HydrophobicContact CD2-CD1 4.15Å; L201-L299 HydrophobicContact CD2-CD1 4.25Å
202	R	88.3	Confident	84.4	Confident	89 Å²	89	59.5 Å²	59.5	34%	0.336	29%	0.293	S	S	.	.	H	α-helix	trans	-68	-31.5	171.6	-73.8	-179.9	-162.9	113.1	2.8	112.6	M198 D199 F200 E212 I215	M198-R202 VanDerWaalsContact O-CG 3.28Å; M198-R202 WeakPolarHBondContact O-CG 3.47Å; M198-R202 PolarHBondContact O-N 2.79Å; D199-R202 PolarHBondContact O-N 2.93Å; D199-R202 IonicContact OD1-NH1 2.99Å; D199-R202 PolarHBondContact OD1-NH1 2.89Å; F200-R202 VanDerWaalsContact C-N 3.27Å; F200-R202 PolarHBondContact O-N 2.99Å; R202-E212 IonicContact CZ-OE1 2.73Å; R202-E212 IonicContact CZ-OE2 2.72Å; R202-E212 IonicContact NE-OE1 3.82Å; R202-E212 PolarHBondContact NE-OE1 2.85Å; R202-E212 IonicContact NE-OE2 2.8Å; R202-E212 PolarHBondContact NE-OE2 2.87Å; R202-E212 IonicContact NH2-OE1 2.66Å; R202-E212 IonicContact NH2-OE2 3.07Å; R202-E212 PolarHBondContact NH2-OE2 2.86Å; R202-I215 HydrophobicContact CG-CD1 3.95Å
203	E	87.6	Confident	84.5	Confident	128 Å²	128	58.6 Å²	58.6	60%	0.598	29%	0.29	S	S	*	.	H	α-helix	trans	-73.7	-31	176.2	-68.3	-178.7	169.7	0	0	112.2	D199 F200 L201 P205	D199-E203 WeakPolarHBondContact O-CG 3.28Å; D199-E203 PolarHBondContact O-N 3.28Å; F200-E203 WeakPolarHBondContact O-CA 3.36Å; F200-E203 WeakPolarHBondContact O-CB 3.49Å; F200-E203 PolarHBondContact O-N 3.32Å; L201-E203 VanDerWaalsContact C-N 3.32Å; E203-P205 VanDerWaalsContact O-CD 3.32Å; E203-P205 WeakPolarHBondContact O-CD 3.18Å
204	V	86.2	Confident	84.8	Confident	1 Å²	1	56 Å²	56	1%	0.006	28%	0.28	C	S	.	.	S	Bend	trans	-59.7	118.2	178.6	176.3	0	0	0	0	109.8	F200 L201 L206 F207 I245	F200-V204 HydrophobicContact CD1-CG2 4.34Å; F200-V204 HydrophobicContact CE1-CG2 3.87Å; F200-V204 HydrophobicContact CE2-CG2 4.34Å; F200-V204 HydrophobicContact CZ-CG2 3.85Å; F200-V204 WeakPolarHBondContact O-CG2 3.14Å; F200-V204 PolarHBondContact O-N 3.37Å; F200-V204 VanDerWaalsContact O-N 3.12Å; L201-V204 PolarHBondContact O-N 3.09Å; V204-L206 HydrophobicContact CG1-CB 3.84Å; V204-L206 PolarHBondContact O-N 3.22Å; V204-L206 VanDerWaalsContact O-N 3.08Å; V204-F207 HydrophobicContact CB-CD2 3.93Å; V204-F207 HydrophobicContact CB-CE2 4.47Å; V204-F207 HydrophobicContact CG1-CD2 3.9Å; V204-F207 HydrophobicContact CG1-CE2 4.13Å; V204-F207 HydrophobicContact CG1-CG 4.4Å; V204-F207 PolarHBondContact O-N 2.81Å; V204-I245 HydrophobicContact CG2-CG2 3.99Å
205	P	82.5	Confident	85.1	Confident	75 Å²	75	55.2 Å²	55.2	49%	0.487	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-53.8	-35.6	-177	-28.9	36.1	0	0	0	114	E203 F207 K208	E203-P205 VanDerWaalsContact O-CD 3.32Å; E203-P205 WeakPolarHBondContact O-CD 3.18Å; P205-F207 PolarHBondContact O-N 2.89Å; P205-K208 PolarHBondContact O-N 2.88Å
206	L	82.9	Confident	85.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-58.2	-26.2	179.9	-175.4	60.8	0	0	0	113.8	V204 F243 F274 L313 E315 L316	V204-L206 HydrophobicContact CG1-CB 3.84Å; V204-L206 PolarHBondContact O-N 3.22Å; V204-L206 VanDerWaalsContact O-N 3.08Å; L206-F243 HydrophobicContact CD2-CZ 3.74Å; L206-F274 HydrophobicContact CB-CD1 4.2Å; L206-F274 HydrophobicContact CB-CE1 3.99Å; L206-F274 HydrophobicContact CD1-CE1 4.04Å; L206-F274 HydrophobicContact CD1-CZ 4.16Å; L206-F274 HydrophobicContact CD2-CD1 3.77Å; L206-F274 HydrophobicContact CD2-CE1 3.8Å; L206-F274 HydrophobicContact CD2-CG 4.13Å; L206-F274 HydrophobicContact CD2-CZ 4.19Å; L206-F274 HydrophobicContact CG-CD1 4.46Å; L206-F274 HydrophobicContact CG-CE1 4.15Å; L206-L313 HydrophobicContact CD1-CD1 4.24Å; L206-L313 HydrophobicContact CG-CD1 4.21Å; L206-E315 WeakPolarHBondContact CA-OE2 3.21Å; L206-E315 HydrophobicContact CD1-CB 3.39Å; L206-L316 HydrophobicContact CD1-CD2 4.1Å; L206-L316 HydrophobicContact CD1-CG 4.11Å; L206-L316 HydrophobicContact CD2-CD2 3.64Å; L206-L316 HydrophobicContact CD2-CG 4.35Å; L206-L316 HydrophobicContact CG-CD2 4.48Å
207	F	86.5	Confident	85.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-111.8	3.1	-170.7	-57.8	-30.8	0	0	0	113.4	L201 V204 P205 T209 L210 L218 M222 F243 I245 I310 L313	L201-F207 HydrophobicContact CB-CD2 4.2Å; L201-F207 HydrophobicContact CD2-CD2 3.7Å; L201-F207 HydrophobicContact CD2-CE2 3.48Å; L201-F207 VanDerWaalsContact CD2-CE2 3.48Å; L201-F207 WeakPolarHBondContact O-CB 3.09Å; V204-F207 HydrophobicContact CB-CD2 3.93Å; V204-F207 HydrophobicContact CB-CE2 4.47Å; V204-F207 HydrophobicContact CG1-CD2 3.9Å; V204-F207 HydrophobicContact CG1-CE2 4.13Å; V204-F207 HydrophobicContact CG1-CG 4.4Å; V204-F207 PolarHBondContact O-N 2.81Å; P205-F207 PolarHBondContact O-N 2.89Å; F207-T209 PolarHBondContact O-N 3.16Å; F207-L210 HydrophobicContact CB-CD1 3.83Å; F207-L210 HydrophobicContact CB-CG 4.23Å; F207-L210 HydrophobicContact CD1-CD1 3.47Å; F207-L210 VanDerWaalsContact CD1-CD1 3.47Å; F207-L210 HydrophobicContact CD1-CG 4.33Å; F207-L210 HydrophobicContact CE1-CD1 4.3Å; F207-L210 HydrophobicContact CG-CD1 3.83Å; F207-L210 WeakPolarHBondContact O-CB 3.36Å; F207-L210 PolarHBondContact O-N 2.91Å; F207-L218 HydrophobicContact CD1-CD1 4.25Å; F207-L218 HydrophobicContact CD2-CD1 4.45Å; F207-L218 HydrophobicContact CE1-CD1 4.21Å; F207-L218 HydrophobicContact CE2-CD1 4.37Å; F207-L218 HydrophobicContact CG-CD1 4.39Å; F207-L218 HydrophobicContact CZ-CD1 4.26Å; F207-M222 HydrophobicContact CE2-CE 4.24Å; F207-M222 HydrophobicContact CZ-CE 4.28Å; F207-F243 HydrophobicContact CZ-CE1 4.35Å; F207-I245 HydrophobicContact CD2-CD1 4.49Å; F207-I245 HydrophobicContact CE2-CD1 3.28Å; F207-I245 HydrophobicContact CZ-CD1 3.54Å; F207-I310 HydrophobicContact CD1-CG2 4.25Å; F207-I310 HydrophobicContact CE1-CB 4.44Å; F207-I310 HydrophobicContact CE1-CD1 3.98Å; F207-I310 HydrophobicContact CE1-CG2 3.7Å; F207-I310 HydrophobicContact CZ-CD1 4.09Å; F207-I310 HydrophobicContact CZ-CG2 4.44Å; F207-L313 HydrophobicContact CD1-CD1 4.08Å; F207-L313 HydrophobicContact CE1-CD1 4.23Å
208	K	79.8	Confident	85.4	Confident	149 Å²	149	44.7 Å²	44.7	65%	0.648	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.4	-178.8	-76.3	-177	175.3	-179.9	0	114	P205	P205-K208 PolarHBondContact O-N 2.88Å
209	T	80	Confident	85.4	Confident	99 Å²	99	44.5 Å²	44.5	61%	0.607	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-4.7	-179	63	0	0	0	0	113.6	F207	F207-T209 PolarHBondContact O-N 3.16Å
210	L	83.6	Confident	85.1	Confident	18 Å²	18	43.1 Å²	43.1	9%	0.094	22%	0.218	C	C	.	.	S	Bend	trans	-74	148.5	179.2	-64.7	-173.5	0	0	0	111.2	F207 R214 I215 L218 I310 L313	F207-L210 HydrophobicContact CB-CD1 3.83Å; F207-L210 HydrophobicContact CB-CG 4.23Å; F207-L210 HydrophobicContact CD1-CD1 3.47Å; F207-L210 VanDerWaalsContact CD1-CD1 3.47Å; F207-L210 HydrophobicContact CD1-CG 4.33Å; F207-L210 HydrophobicContact CE1-CD1 4.3Å; F207-L210 HydrophobicContact CG-CD1 3.83Å; F207-L210 WeakPolarHBondContact O-CB 3.36Å; F207-L210 PolarHBondContact O-N 2.91Å; L210-R214 HydrophobicContact CB-CB 4.45Å; L210-R214 HydrophobicContact CD1-CG 4.36Å; L210-R214 HydrophobicContact CD2-CG 4.22Å; L210-I215 HydrophobicContact CB-CD1 4.36Å; L210-I215 HydrophobicContact CB-CG1 3.84Å; L210-L218 HydrophobicContact CD1-CD1 3.41Å; L210-L218 VanDerWaalsContact CD1-CD1 3.41Å; L210-I310 HydrophobicContact CD1-CG2 3.98Å; L210-L313 HydrophobicContact CD1-CD1 4.37Å; L210-L313 HydrophobicContact CD2-CD1 4.14Å; L210-L313 HydrophobicContact CD2-CD2 3.67Å; L210-L313 HydrophobicContact CD2-CG 4.27Å; L210-L313 HydrophobicContact CG-CD1 4.45Å
211	T	85.5	Confident	84.9	Confident	88 Å²	88	42.5 Å²	42.5	54%	0.54	22%	0.216	S	C	.	.			trans	-71.2	151.6	171.4	57.3	0	0	0	0	110.2	D213 R214 I215	T211-D213 PolarHBondContact O-N 2.79Å; T211-R214 WeakPolarHBondContact O-CA 3.36Å; T211-R214 WeakPolarHBondContact O-CB 3.25Å; T211-R214 PolarHBondContact O-N 2.85Å; T211-R214 WeakPolarHBondContact OG1-CB 3.24Å; T211-R214 PolarHBondContact OG1-N 3.1Å; T211-I215 PolarHBondContact O-N 2.9Å
212	E	84	Confident	84.7	Confident	74 Å²	74	42.6 Å²	42.6	35%	0.346	22%	0.216	S	C	.	.	H	α-helix	trans	-53.6	-36.4	176	-72.4	-69	143.3	0	0	113.1	M198 R202 R214 I215 S216 P503	M198-E212 WeakPolarHBondContact CE-OE2 3.27Å; R202-E212 IonicContact CZ-OE1 2.73Å; R202-E212 IonicContact CZ-OE2 2.72Å; R202-E212 IonicContact NE-OE1 3.82Å; R202-E212 PolarHBondContact NE-OE1 2.85Å; R202-E212 IonicContact NE-OE2 2.8Å; R202-E212 PolarHBondContact NE-OE2 2.87Å; R202-E212 IonicContact NH2-OE1 2.66Å; R202-E212 IonicContact NH2-OE2 3.07Å; R202-E212 PolarHBondContact NH2-OE2 2.86Å; E212-R214 VanDerWaalsContact C-N 3.33Å; E212-R214 PolarHBondContact O-N 2.87Å; E212-I215 PolarHBondContact O-N 3.05Å; E212-S216 WeakPolarHBondContact O-CB 3.45Å; E212-S216 PolarHBondContact O-N 3.31Å; E212-P503 HydrophobicContact CB-CB 4.46Å
213	D	79.9	Confident	84.5	Confident	48 Å²	48	43.1 Å²	43.1	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-42.2	173.5	-178.9	76.8	0	0	0	112.3	T211 S216 K217 P503	T211-D213 PolarHBondContact O-N 2.79Å; D213-S216 PolarHBondContact O-N 2.99Å; D213-K217 WeakPolarHBondContact O-CG 3.5Å; D213-K217 PolarHBondContact O-N 3.18Å; D213-K217 IonicContact OD1-NZ 3.51Å; D213-K217 VanDerWaalsContact OD2-CE 3.27Å; D213-K217 WeakPolarHBondContact OD2-CE 3.2Å; D213-K217 IonicContact OD2-NZ 3.9Å; D213-K217 PolarHBondContact OD2-NZ 2.95Å; D213-P503 HydrophobicContact CB-CB 4.28Å
214	R	82.9	Confident	84.2	Confident	30 Å²	30	41.2 Å²	41.2	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-74.8	-36	-178.7	-166.2	161.5	174.9	-164.8	18	111.6	L210 T211 E212 K217 L218 L309 D312	L210-R214 HydrophobicContact CB-CB 4.45Å; L210-R214 HydrophobicContact CD1-CG 4.36Å; L210-R214 HydrophobicContact CD2-CG 4.22Å; T211-R214 WeakPolarHBondContact O-CA 3.36Å; T211-R214 WeakPolarHBondContact O-CB 3.25Å; T211-R214 PolarHBondContact O-N 2.85Å; T211-R214 WeakPolarHBondContact OG1-CB 3.24Å; T211-R214 PolarHBondContact OG1-N 3.1Å; E212-R214 VanDerWaalsContact C-N 3.33Å; E212-R214 PolarHBondContact O-N 2.87Å; R214-K217 PolarHBondContact O-N 2.87Å; R214-L218 WeakPolarHBondContact O-CG 3.39Å; R214-L218 PolarHBondContact O-N 3.01Å; R214-L309 PolarHBondContact NE-O 3.4Å; R214-L309 PolarHBondContact NH2-O 2.86Å; R214-D312 IonicContact CZ-OD1 2.89Å; R214-D312 VanDerWaalsContact CZ-OD1 3.29Å; R214-D312 IonicContact CZ-OD2 3.55Å; R214-D312 IonicContact NH1-OD1 2.73Å; R214-D312 PolarHBondContact NH1-OD1 3.47Å; R214-D312 IonicContact NH1-OD2 2.91Å; R214-D312 IonicContact NH2-OD1 3.63Å; R214-D312 PolarHBondContact NH2-OD1 2.92Å; R214-D312 IonicContact NH2-OD2 2.61Å
215	I	88.9	Confident	84.2	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-43	170.9	-64.6	176.2	0	0	0	110.7	M198 L201 R202 L210 T211 E212 L218 A219	M198-I215 HydrophobicContact CB-CG2 4.48Å; M198-I215 HydrophobicContact CE-CB 4.23Å; M198-I215 HydrophobicContact CE-CG2 3.9Å; M198-I215 HydrophobicContact CG-CG2 4.33Å; L201-I215 HydrophobicContact CB-CG2 3.84Å; L201-I215 HydrophobicContact CD1-CG2 4.26Å; R202-I215 HydrophobicContact CG-CD1 3.95Å; L210-I215 HydrophobicContact CB-CD1 4.36Å; L210-I215 HydrophobicContact CB-CG1 3.84Å; T211-I215 PolarHBondContact O-N 2.9Å; E212-I215 PolarHBondContact O-N 3.05Å; I215-L218 WeakPolarHBondContact O-CB 3.22Å; I215-L218 PolarHBondContact O-N 3.34Å; I215-A219 PolarHBondContact O-N 3.16Å
216	S	86.5	Confident	84.4	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-43.4	177.3	-175	0	0	0	0	111.8	H194 E212 D213 L218 A219 D220	H194-S216 PolarHBondContact CE1-O 3Å; H194-S216 PolarHBondContact CE1-OG 2.98Å; H194-S216 PolarHBondContact NE2-OG 3.09Å; E212-S216 WeakPolarHBondContact O-CB 3.45Å; E212-S216 PolarHBondContact O-N 3.31Å; D213-S216 PolarHBondContact O-N 2.99Å; S216-L218 VanDerWaalsContact C-N 3.3Å; S216-L218 PolarHBondContact O-N 2.78Å; S216-A219 WeakPolarHBondContact O-CB 3.49Å; S216-A219 PolarHBondContact O-N 3.05Å; S216-D220 PolarHBondContact O-N 3.37Å
217	K	85	Confident	84.4	Confident	27 Å²	27	49.3 Å²	49.3	12%	0.117	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-36.2	172.3	-74.8	169.9	-178.8	165.6	0	113.3	D213 R214 D220 S221 L309 A593 C598	D213-K217 WeakPolarHBondContact O-CG 3.5Å; D213-K217 PolarHBondContact O-N 3.18Å; D213-K217 IonicContact OD1-NZ 3.51Å; D213-K217 VanDerWaalsContact OD2-CE 3.27Å; D213-K217 WeakPolarHBondContact OD2-CE 3.2Å; D213-K217 IonicContact OD2-NZ 3.9Å; D213-K217 PolarHBondContact OD2-NZ 2.95Å; R214-K217 PolarHBondContact O-N 2.87Å; K217-D220 PolarHBondContact O-N 3.02Å; K217-S221 PolarHBondContact O-N 3.35Å; K217-S221 PolarHBondContact O-OG 2.88Å; K217-L309 HydrophobicContact CB-CD1 4.46Å; K217-L309 HydrophobicContact CB-CD2 3.94Å; K217-L309 HydrophobicContact CD-CD2 4.36Å; K217-A593 HydrophobicContact CB-CB 3.92Å; K217-A593 HydrophobicContact CG-CB 4.23Å; K217-C598 WeakPolarHBondContact CD-O 3.46Å; K217-C598 WeakPolarHBondContact CE-O 3.47Å; K217-C598 PolarHBondContact NZ-O 2.91Å
218	L	87.2	Confident	84.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-48.6	172.5	-79.8	164.3	0	0	0	111.3	L201 F207 L210 R214 I215 S216 D220 S221 M222 L301 L309 I310	L201-L218 HydrophobicContact CD1-CB 4.1Å; F207-L218 HydrophobicContact CD1-CD1 4.25Å; F207-L218 HydrophobicContact CD2-CD1 4.45Å; F207-L218 HydrophobicContact CE1-CD1 4.21Å; F207-L218 HydrophobicContact CE2-CD1 4.37Å; F207-L218 HydrophobicContact CG-CD1 4.39Å; F207-L218 HydrophobicContact CZ-CD1 4.26Å; L210-L218 HydrophobicContact CD1-CD1 3.41Å; L210-L218 VanDerWaalsContact CD1-CD1 3.41Å; R214-L218 WeakPolarHBondContact O-CG 3.39Å; R214-L218 PolarHBondContact O-N 3.01Å; I215-L218 WeakPolarHBondContact O-CB 3.22Å; I215-L218 PolarHBondContact O-N 3.34Å; S216-L218 VanDerWaalsContact C-N 3.3Å; S216-L218 PolarHBondContact O-N 2.78Å; L218-D220 PolarHBondContact O-N 3.5Å; L218-S221 PolarHBondContact O-N 3.44Å; L218-M222 HydrophobicContact CB-CE 4.46Å; L218-M222 HydrophobicContact CD2-CE 3.93Å; L218-M222 WeakPolarHBondContact O-CB 3.33Å; L218-M222 VanDerWaalsContact O-CG 3.27Å; L218-M222 WeakPolarHBondContact O-CG 3.39Å; L218-M222 PolarHBondContact O-N 2.84Å; L218-M222 VanDerWaalsContact O-N 3.09Å; L218-L301 HydrophobicContact CD2-CD1 4.43Å; L218-L301 HydrophobicContact CD2-CD2 3.67Å; L218-L309 HydrophobicContact CD2-CB 3.92Å; L218-L309 HydrophobicContact CD2-CD1 4.13Å; L218-L309 HydrophobicContact CG-CB 4.34Å; L218-L309 HydrophobicContact CG-CD1 4.45Å; L218-I310 HydrophobicContact CD1-CG2 3.61Å; L218-I310 HydrophobicContact CD2-CD1 4.48Å; L218-I310 HydrophobicContact CD2-CG2 3.75Å; L218-I310 HydrophobicContact CG-CG2 4.17Å
219	A	88	Confident	84.9	Confident	5 Å²	5	51.5 Å²	51.5	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-33.9	177.1	0	0	0	0	0	112.4	L197 M198 L201 I215 S216	L197-A219 HydrophobicContact CB-CB 3.95Å; M198-A219 HydrophobicContact CG-CB 4.26Å; L201-A219 HydrophobicContact CD1-CB 3.86Å; I215-A219 PolarHBondContact O-N 3.16Å; S216-A219 WeakPolarHBondContact O-CB 3.49Å; S216-A219 PolarHBondContact O-N 3.05Å
220	D	82.6	Confident	85	Confident	45 Å²	45	48.8 Å²	48.8	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-75.9	-22.2	176.6	-75.3	-11.8	0	0	0	114.6	H194 S216 K217 L218 K506	H194-D220 IonicContact CE1-OD1 3.34Å; H194-D220 PolarHBondContact CE1-OD1 3.45Å; H194-D220 IonicContact ND1-OD1 3.03Å; H194-D220 PolarHBondContact ND1-OD1 3.22Å; S216-D220 PolarHBondContact O-N 3.37Å; K217-D220 PolarHBondContact O-N 3.02Å; L218-D220 PolarHBondContact O-N 3.5Å; D220-K506 WeakPolarHBondContact OD1-CE 2.96Å; D220-K506 IonicContact OD1-NZ 2.63Å; D220-K506 PolarHBondContact OD1-NZ 3.14Å; D220-K506 WeakPolarHBondContact OD2-CE 3.49Å; D220-K506 IonicContact OD2-NZ 3.55Å; D220-K506 PolarHBondContact OD2-NZ 3.05Å
221	S	85.1	Confident	85.1	Confident	7 Å²	7	50.6 Å²	50.6	5%	0.049	27%	0.271	C	S	.	.	H	α-helix	trans	-100.5	-3.1	-178	-52.4	0	0	0	0	113.3	K217 L218 L301 L309 N591 A593	K217-S221 PolarHBondContact O-N 3.35Å; K217-S221 PolarHBondContact O-OG 2.88Å; L218-S221 PolarHBondContact O-N 3.44Å; S221-L301 VanDerWaalsContact CB-CD1 3.49Å; S221-L309 WeakPolarHBondContact OG-CD1 3.43Å; S221-N591 PolarHBondContact OG-ND2 2.67Å; S221-A593 WeakPolarHBondContact OG-CB 3.44Å
222	M	86.4	Confident	85.2	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.015	26%	0.262	C	S	.	.			trans	-99.1	128.5	-175.7	-78.3	177.6	172.2	0	0	111.6	L201 F207 L218 I245 L299 T300 L301	L201-M222 HydrophobicContact CD1-SD 4.2Å; L201-M222 HydrophobicContact CD2-CE 4.1Å; L201-M222 HydrophobicContact CD2-SD 3.64Å; F207-M222 HydrophobicContact CE2-CE 4.24Å; F207-M222 HydrophobicContact CZ-CE 4.28Å; L218-M222 HydrophobicContact CB-CE 4.46Å; L218-M222 HydrophobicContact CD2-CE 3.93Å; L218-M222 WeakPolarHBondContact O-CB 3.33Å; L218-M222 VanDerWaalsContact O-CG 3.27Å; L218-M222 WeakPolarHBondContact O-CG 3.39Å; L218-M222 PolarHBondContact O-N 2.84Å; L218-M222 VanDerWaalsContact O-N 3.09Å; M222-I245 HydrophobicContact CE-CD1 3.5Å; M222-I245 HydrophobicContact CE-CG1 4.44Å; M222-I245 HydrophobicContact SD-CD1 4.32Å; M222-L299 HydrophobicContact CB-CB 4.38Å; M222-L299 HydrophobicContact CG-CB 4.46Å; M222-L299 HydrophobicContact SD-CB 4.05Å; M222-L299 HydrophobicContact SD-CD1 3.96Å; M222-T300 VanDerWaalsContact CA-O 3.31Å; M222-T300 WeakPolarHBondContact CA-O 3.27Å; M222-L301 HydrophobicContact CE-CB 4.27Å; M222-L301 HydrophobicContact CE-CD2 4.29Å; M222-L301 HydrophobicContact CG-CB 4.38Å; M222-L301 HydrophobicContact CG-CD1 4.16Å
223	D	83.3	Confident	85.5	Confident	100 Å²	100	48.3 Å²	48.3	54%	0.535	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	158.6	167.4	-70.5	-51.4	0	0	0	110.4	L299 T300	D223-L299 CarbonylContact O-C 3.49Å; D223-L299 WeakPolarHBondContact O-CA 3.15Å; D223-T300 WeakPolarHBondContact CB-OG1 2.96Å; D223-T300 PolarHBondContact N-O 2.86Å; D223-T300 VanDerWaalsContact N-O 3.1Å; D223-T300 PolarHBondContact O-N 3.15Å
224	L	82.7	Confident	85.7	Confident	87 Å²	87	46.3 Å²	46.3	46%	0.455	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.5	177.9	-178.6	72.1	0	0	0	108.6	E297 V298 L299	L224-E297 HydrophobicContact CD1-CB 4.17Å; L224-V298 WeakPolarHBondContact CA-O 3.5Å; L224-L299 HydrophobicContact CB-CD2 4.2Å; L224-L299 HydrophobicContact CD1-CD2 3.72Å; L224-L299 HydrophobicContact CD1-CG 4.49Å
225	D	85.1	Confident	85.6	Confident	64 Å²	64	50.1 Å²	50.1	34%	0.342	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.9	177.7	-75	-41.5	0	0	0	111.4	F227 E297 V298 T300	D225-F227 HydrophobicContact CB-CD2 4.48Å; D225-F227 HydrophobicContact CB-CE2 3.66Å; D225-F227 HydrophobicContact CB-CZ 4.22Å; D225-E297 WeakPolarHBondContact O-CA 3.4Å; D225-V298 HydrophobicContact CB-CG2 3.99Å; D225-V298 PolarHBondContact N-O 3.34Å; D225-V298 PolarHBondContact O-N 2.79Å; D225-T300 HydrophobicContact CB-CG2 4.4Å; D225-T300 WeakPolarHBondContact OD2-CG2 3.37Å
226	Y	85.8	Confident	85.1	Confident	148 Å²	148	53.1 Å²	53.1	58%	0.58	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.1	179.1	174.2	-92	0	0	0	111.1	A228 A295 E297	Y226-A228 HydrophobicContact CE1-CB 4.47Å; Y226-A295 HydrophobicContact CE2-CB 4.05Å; Y226-A295 WeakPolarHBondContact OH-CB 3.29Å; Y226-E297 HydrophobicContact CD2-CG 4.06Å
227	F	84.4	Confident	84.2	Confident	39 Å²	39	55.6 Å²	55.6	17%	0.171	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.4	178.1	-64	-88.6	0	0	0	110.4	D225 T231 I233 A292 V296 V298	D225-F227 HydrophobicContact CB-CD2 4.48Å; D225-F227 HydrophobicContact CB-CE2 3.66Å; D225-F227 HydrophobicContact CB-CZ 4.22Å; F227-T231 HydrophobicContact CD1-CG2 3.92Å; F227-I233 HydrophobicContact CB-CD1 4.46Å; F227-I233 HydrophobicContact CB-CG1 4.23Å; F227-I233 HydrophobicContact CD1-CG1 3.96Å; F227-I233 HydrophobicContact CD2-CD1 4.15Å; F227-I233 HydrophobicContact CD2-CG1 4.06Å; F227-I233 HydrophobicContact CD2-CG2 4.29Å; F227-I233 HydrophobicContact CE1-CB 4.42Å; F227-I233 HydrophobicContact CE1-CG1 4.34Å; F227-I233 HydrophobicContact CE1-CG2 4.17Å; F227-I233 HydrophobicContact CE2-CG1 4.45Å; F227-I233 HydrophobicContact CE2-CG2 3.86Å; F227-I233 HydrophobicContact CG-CD1 4.24Å; F227-I233 HydrophobicContact CG-CG1 3.8Å; F227-I233 HydrophobicContact CZ-CG2 3.79Å; F227-A292 HydrophobicContact CB-CB 4.21Å; F227-V296 PolarHBondContact N-O 3.34Å; F227-V296 PolarHBondContact O-N 3.46Å; F227-V298 HydrophobicContact CD2-CG2 3.97Å; F227-V298 HydrophobicContact CE2-CG2 3.52Å
228	A	84.8	Confident	83.7	Confident	47 Å²	47	58.9 Å²	58.9	39%	0.388	31%	0.31	S	S	.	.			trans	-72.5	155.3	172.8	0	0	0	0	0	111.1	Y226 G230 T231 A292	Y226-A228 HydrophobicContact CE1-CB 4.47Å; A228-G230 PolarHBondContact O-N 2.78Å; A228-T231 WeakPolarHBondContact O-CB 3.41Å; A228-T231 PolarHBondContact O-N 3.34Å; A228-T231 PolarHBondContact O-OG1 2.85Å; A228-A292 WeakPolarHBondContact O-CB 3.14Å
229	E	91	Very high	83	Confident	147 Å²	147	66.9 Å²	66.9	69%	0.687	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	135	176.5	-177.7	-179.7	166	0	0	112	T231 D294	E229-T231 VanDerWaalsContact C-N 3.26Å; E229-T231 PolarHBondContact O-N 2.99Å; E229-D294 WeakPolarHBondContact CA-O 3.46Å; E229-D294 PolarHBondContact N-O 2.85Å
230	G	83.1	Confident	82.1	Confident	42 Å²	42	67 Å²	67	43%	0.433	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-4.3	-179.2	0	0	0	0	0	114.9	A228 A292	A228-G230 PolarHBondContact O-N 2.78Å; G230-A292 PolarHBondContact N-O 3.26Å
231	T	85.1	Confident	82.1	Confident	56 Å²	56	69.5 Å²	69.5	34%	0.344	36%	0.36	S	S	.	.			trans	-74.7	134.3	178	-51.1	0	0	0	0	110.8	F227 A228 E229 I233 I291 A292	F227-T231 HydrophobicContact CD1-CG2 3.92Å; A228-T231 WeakPolarHBondContact O-CB 3.41Å; A228-T231 PolarHBondContact O-N 3.34Å; A228-T231 PolarHBondContact O-OG1 2.85Å; E229-T231 VanDerWaalsContact C-N 3.26Å; E229-T231 PolarHBondContact O-N 2.99Å; T231-I233 PolarHBondContact O-N 3.47Å; T231-I291 WeakPolarHBondContact O-CA 3.36Å; T231-A292 PolarHBondContact O-N 3.44Å
232	Y	88	Confident	82.3	Confident	94 Å²	94	71.5 Å²	71.5	37%	0.369	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.7	169.1	-76.3	-103.8	0	0	0	109.2	R235 I291	Y232-R235 HydrophobicContact CD1-CG 3.83Å; Y232-R235 VanDerWaalsContact CD1-NH1 3.28Å; Y232-R235 HydrophobicContact CG-CG 4.2Å; Y232-R235 VanDerWaalsContact CG-NH1 3.27Å; Y232-I291 HydrophobicContact CD1-CD1 4.21Å; Y232-I291 HydrophobicContact CD1-CG1 3.63Å; Y232-I291 HydrophobicContact CD2-CG1 4.37Å; Y232-I291 HydrophobicContact CE1-CD1 3.6Å; Y232-I291 HydrophobicContact CE1-CG1 3.57Å; Y232-I291 HydrophobicContact CE2-CD1 4.36Å; Y232-I291 HydrophobicContact CE2-CG1 4.33Å; Y232-I291 HydrophobicContact CG-CG1 4.05Å
233	I	89.3	Confident	82.5	Confident	20 Å²	20	71.3 Å²	71.3	10%	0.103	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-39.5	172.8	-50.7	-179.5	0	0	0	109.3	F227 T231 F244 V251 F275 V290 V296 V298	F227-I233 HydrophobicContact CB-CD1 4.46Å; F227-I233 HydrophobicContact CB-CG1 4.23Å; F227-I233 HydrophobicContact CD1-CG1 3.96Å; F227-I233 HydrophobicContact CD2-CD1 4.15Å; F227-I233 HydrophobicContact CD2-CG1 4.06Å; F227-I233 HydrophobicContact CD2-CG2 4.29Å; F227-I233 HydrophobicContact CE1-CB 4.42Å; F227-I233 HydrophobicContact CE1-CG1 4.34Å; F227-I233 HydrophobicContact CE1-CG2 4.17Å; F227-I233 HydrophobicContact CE2-CG1 4.45Å; F227-I233 HydrophobicContact CE2-CG2 3.86Å; F227-I233 HydrophobicContact CG-CD1 4.24Å; F227-I233 HydrophobicContact CG-CG1 3.8Å; F227-I233 HydrophobicContact CZ-CG2 3.79Å; T231-I233 PolarHBondContact O-N 3.47Å; I233-F244 HydrophobicContact CG2-CD1 4.13Å; I233-F244 HydrophobicContact CG2-CE1 3.95Å; I233-F244 HydrophobicContact CG2-CZ 4.4Å; I233-V251 HydrophobicContact CD1-CG1 3.56Å; I233-F275 HydrophobicContact CB-CZ 4.5Å; I233-F275 HydrophobicContact CD1-CZ 4.16Å; I233-F275 HydrophobicContact CG2-CE2 3.96Å; I233-F275 HydrophobicContact CG2-CZ 3.94Å; I233-V290 HydrophobicContact CD1-CG1 4.44Å; I233-V290 PolarHBondContact N-O 3.22Å; I233-V296 HydrophobicContact CD1-CG1 4.28Å; I233-V298 HydrophobicContact CD1-CG1 4.4Å
234	V	84.8	Confident	83	Confident	7 Å²	7	67 Å²	67	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139.1	179.7	172.3	0	0	0	0	108.2	F244 F275 R286 S289 V290	V234-F244 HydrophobicContact CG2-CD2 4.28Å; V234-F244 HydrophobicContact CG2-CE2 3.69Å; V234-F244 HydrophobicContact CG2-CZ 4.12Å; V234-F275 HydrophobicContact CG2-CD2 4.28Å; V234-F275 HydrophobicContact CG2-CE2 3.96Å; V234-R286 HydrophobicContact CG1-CB 3.74Å; V234-R286 VanDerWaalsContact CG1-CD 3.42Å; V234-R286 HydrophobicContact CG1-CG 3.44Å; V234-R286 VanDerWaalsContact CG1-CG 3.44Å; V234-S289 CarbonylContact O-C 3.54Å; V234-S289 VanDerWaalsContact O-CA 3.26Å; V234-S289 WeakPolarHBondContact O-CA 3.4Å; V234-V290 HydrophobicContact CB-CB 4.16Å; V234-V290 HydrophobicContact CB-CG2 4.26Å; V234-V290 PolarHBondContact N-O 2.77Å; V234-V290 PolarHBondContact O-N 2.82Å
235	R	81.6	Confident	83.4	Confident	110 Å²	110	62.9 Å²	62.9	42%	0.415	32%	0.324	S	S	.	.			trans	-110.2	142	169.8	-54.4	-178	172.7	-80.7	-3	111.4	Y232 G237 E238 R286	Y232-R235 HydrophobicContact CD1-CG 3.83Å; Y232-R235 VanDerWaalsContact CD1-NH1 3.28Å; Y232-R235 HydrophobicContact CG-CG 4.2Å; Y232-R235 VanDerWaalsContact CG-NH1 3.27Å; R235-G237 PolarHBondContact O-N 2.94Å; R235-E238 HydrophobicContact CB-CG 4Å; R235-E238 WeakPolarHBondContact CD-OE1 3.35Å; R235-E238 PolarHBondContact N-OE2 3.02Å; R235-E238 PolarHBondContact O-N 3.26Å; R235-R286 VanDerWaalsContact O-CB 3.27Å; R235-R286 WeakPolarHBondContact O-CB 3.35Å
236	E	78.1	Confident	83.8	Confident	67 Å²	67	59.8 Å²	59.8	31%	0.313	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	135.8	171.2	-172.7	174.8	176.8	0	0	110.6	E238 Q255 L256 S289	E236-E238 VanDerWaalsContact C-N 3.33Å; E236-E238 PolarHBondContact O-N 3.38Å; E236-Q255 WeakPolarHBondContact OE2-CA 2.98Å; E236-L256 PolarHBondContact OE2-N 2.82Å; E236-S289 WeakPolarHBondContact CB-OG 3.15Å; E236-S289 PolarHBondContact N-OG 3.46Å
237	G	66.8	Low	84	Confident	53 Å²	53	53.6 Å²	53.6	55%	0.546	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-13.6	-179.7	0	0	0	0	0	115.7	R235 R286	R235-G237 PolarHBondContact O-N 2.94Å; G237-R286 PolarHBondContact N-O 2.84Å
238	E	74.7	Confident	84.3	Confident	96 Å²	96	53.7 Å²	53.7	45%	0.449	29%	0.291	S	S	.	.	S	Bend	trans	-71.2	153.4	175.6	-70.2	179.8	162.1	0	0	111.4	R235 E236 V285 R286	R235-E238 HydrophobicContact CB-CG 4Å; R235-E238 WeakPolarHBondContact CD-OE1 3.35Å; R235-E238 PolarHBondContact N-OE2 3.02Å; R235-E238 PolarHBondContact O-N 3.26Å; E236-E238 VanDerWaalsContact C-N 3.33Å; E236-E238 PolarHBondContact O-N 3.38Å; E238-V285 CarbonylContact O-C 3.57Å; E238-V285 WeakPolarHBondContact O-CA 3.4Å; E238-R286 HydrophobicContact CB-CG 4.4Å; E238-R286 VanDerWaalsContact O-CG 3.28Å; E238-R286 WeakPolarHBondContact O-CG 3.31Å; E238-R286 PolarHBondContact O-N 2.78Å
239	K	72.6	Confident	84.6	Confident	167 Å²	167	52.4 Å²	52.4	73%	0.726	28%	0.283	S	S	*	.	B	Isolated β-bridge	trans	-69.3	136.1	168.8	-73.4	-170.1	174.9	-167.9	0	109.7	E284	K239-E284 WeakPolarHBondContact CA-O 3.32Å
240	G	69.2	Low	84.8	Confident	7 Å²	7	49.1 Å²	49.1	7%	0.072	27%	0.267	C	S	.	.			trans	-109.5	125.4	179.7	0	0	0	0	0	113.1	L280 E284 R286	G240-L280 WeakPolarHBondContact O-CD2 3.35Å; G240-E284 PolarHBondContact N-O 3.28Å; G240-E284 VanDerWaalsContact N-O 3.09Å; G240-R286 VanDerWaalsContact CA-NE 3.27Å
241	D	83.2	Confident	85.3	Confident	98 Å²	98	47.1 Å²	47.1	52%	0.524	25%	0.247	S	C	.	.			trans	-125.5	-3.5	177.1	60.6	-14.6	0	0	0	113.5	D302 Q303	D241-D302 CarbonylContact O-C 3.55Å; D241-Q303 WeakPolarHBondContact O-CB 3.27Å; D241-Q303 PolarHBondContact O-N 2.78Å
242	L	88.2	Confident	85.7	Confident	49 Å²	49	49.1 Å²	49.1	26%	0.257	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.6	177.3	-59.9	179.1	0	0	0	112.6	F244 R286 D302	L242-F244 HydrophobicContact CB-CE1 4.36Å; L242-F244 HydrophobicContact CB-CE2 3.76Å; L242-F244 HydrophobicContact CB-CZ 3.64Å; L242-F244 HydrophobicContact CD1-CE1 4.41Å; L242-F244 HydrophobicContact CD1-CZ 4.06Å; L242-F244 WeakPolarHBondContact O-CE2 3.48Å; L242-R286 PolarHBondContact O-NH1 2.86Å; L242-R286 PolarHBondContact O-NH2 2.96Å; L242-D302 HydrophobicContact CD2-CB 4.25Å
243	F	91	Very high	85.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141.2	166.1	171.7	-104.1	0	0	0	109.6	L206 F207 I245 F274 E277 L280 T300 L301 F306 I310 L316	L206-F243 HydrophobicContact CD2-CZ 3.74Å; F207-F243 HydrophobicContact CZ-CE1 4.35Å; F243-I245 HydrophobicContact CD1-CG1 4.25Å; F243-I245 HydrophobicContact CE1-CD1 3.81Å; F243-I245 HydrophobicContact CE1-CG1 3.5Å; F243-I245 HydrophobicContact CZ-CG1 4.06Å; F243-F274 HydrophobicContact CE1-CB 4.48Å; F243-F274 HydrophobicContact CE2-CB 3.84Å; F243-F274 AromaticContact CE2-CD2 3.58Å; F243-F274 HydrophobicContact CE2-CD2 3.58Å; F243-F274 HydrophobicContact CE2-CE2 4.42Å; F243-F274 AromaticContact CE2-CG 3.95Å; F243-F274 HydrophobicContact CE2-CG 3.95Å; F243-F274 HydrophobicContact CZ-CB 3.56Å; F243-F274 AromaticContact CZ-CD2 3.93Å; F243-F274 HydrophobicContact CZ-CD2 3.93Å; F243-F274 AromaticContact CZ-CG 3.83Å; F243-F274 HydrophobicContact CZ-CG 3.83Å; F243-E277 HydrophobicContact CD2-CB 3.95Å; F243-E277 HydrophobicContact CE2-CB 4.04Å; F243-L280 HydrophobicContact CB-CD1 3.68Å; F243-T300 CarbonylContact O-C 3.49Å; F243-T300 WeakPolarHBondContact O-CA 3.47Å; F243-L301 HydrophobicContact CB-CB 4.34Å; F243-L301 HydrophobicContact CD1-CB 4.15Å; F243-L301 HydrophobicContact CD1-CD2 4.45Å; F243-L301 PolarHBondContact N-O 2.85Å; F243-L301 PolarHBondContact O-N 2.97Å; F243-F306 HydrophobicContact CB-CD2 3.54Å; F243-F306 HydrophobicContact CB-CE2 4.05Å; F243-F306 HydrophobicContact CB-CG 4.33Å; F243-F306 HydrophobicContact CD1-CD2 4.04Å; F243-F306 HydrophobicContact CD1-CE2 4.37Å; F243-F306 AromaticContact CD2-CD2 3.89Å; F243-F306 HydrophobicContact CD2-CD2 3.89Å; F243-F306 AromaticContact CD2-CE2 3.54Å; F243-F306 HydrophobicContact CD2-CE2 3.54Å; F243-F306 AromaticContact CE2-CE2 4Å; F243-F306 HydrophobicContact CE2-CE2 4Å; F243-F306 AromaticContact CG-CD2 3.56Å; F243-F306 HydrophobicContact CG-CD2 3.56Å; F243-F306 AromaticContact CG-CE2 3.74Å; F243-F306 HydrophobicContact CG-CE2 3.74Å; F243-I310 HydrophobicContact CD1-CD1 3.94Å; F243-I310 HydrophobicContact CE1-CD1 3.67Å; F243-I310 HydrophobicContact CZ-CD1 4.17Å; F243-L316 HydrophobicContact CE2-CD2 3.89Å; F243-L316 HydrophobicContact CZ-CD2 4.15Å
244	F	92.9	Very high	85.6	Confident	9 Å²	9	45 Å²	45	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.8	-172.6	-58.2	-95.7	0	0	0	112	I233 V234 L242 F274 F275 V298 L299 T300	I233-F244 HydrophobicContact CG2-CD1 4.13Å; I233-F244 HydrophobicContact CG2-CE1 3.95Å; I233-F244 HydrophobicContact CG2-CZ 4.4Å; V234-F244 HydrophobicContact CG2-CD2 4.28Å; V234-F244 HydrophobicContact CG2-CE2 3.69Å; V234-F244 HydrophobicContact CG2-CZ 4.12Å; L242-F244 HydrophobicContact CB-CE1 4.36Å; L242-F244 HydrophobicContact CB-CE2 3.76Å; L242-F244 HydrophobicContact CB-CZ 3.64Å; L242-F244 HydrophobicContact CD1-CE1 4.41Å; L242-F244 HydrophobicContact CD1-CZ 4.06Å; L242-F244 WeakPolarHBondContact O-CE2 3.48Å; F244-F274 CarbonylContact O-C 3.55Å; F244-F274 WeakPolarHBondContact O-CA 3.47Å; F244-F274 WeakPolarHBondContact O-CB 3.31Å; F244-F275 HydrophobicContact CB-CD1 4.1Å; F244-F275 HydrophobicContact CB-CD2 3.79Å; F244-F275 HydrophobicContact CB-CE1 3.74Å; F244-F275 HydrophobicContact CB-CE2 3.4Å; F244-F275 HydrophobicContact CB-CG 4.13Å; F244-F275 HydrophobicContact CB-CZ 3.36Å; F244-F275 HydrophobicContact CD1-CE2 4.06Å; F244-F275 HydrophobicContact CD1-CZ 4.17Å; F244-F275 AromaticContact CD2-CD2 3.72Å; F244-F275 HydrophobicContact CD2-CD2 3.72Å; F244-F275 AromaticContact CD2-CE2 3.43Å; F244-F275 HydrophobicContact CD2-CE2 3.43Å; F244-F275 VanDerWaalsContact CD2-CE2 3.43Å; F244-F275 HydrophobicContact CD2-CZ 4.24Å; F244-F275 HydrophobicContact CE2-CE2 4.18Å; F244-F275 AromaticContact CG-CD2 3.97Å; F244-F275 HydrophobicContact CG-CD2 3.97Å; F244-F275 AromaticContact CG-CE2 3.36Å; F244-F275 HydrophobicContact CG-CE2 3.36Å; F244-F275 AromaticContact CG-CZ 3.7Å; F244-F275 HydrophobicContact CG-CZ 3.7Å; F244-F275 PolarHBondContact N-O 2.98Å; F244-F275 PolarHBondContact O-N 2.7Å; F244-V298 HydrophobicContact CD1-CB 4.42Å; F244-V298 HydrophobicContact CD1-CG2 3.87Å; F244-L299 CarbonylContact C-O 3.56Å; F244-L299 VanDerWaalsContact CA-O 3.31Å; F244-L299 WeakPolarHBondContact CA-O 3.35Å; F244-T300 HydrophobicContact CD1-CG2 3.52Å; F244-T300 HydrophobicContact CE1-CG2 3.54Å
245	I	92.3	Very high	85.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.4	170.5	-49.5	178.3	0	0	0	108.9	F200 L201 V204 F207 M222 F243 S247 F274 V298 L299	F200-I245 HydrophobicContact CE1-CG2 3.9Å; F200-I245 HydrophobicContact CZ-CG2 3.98Å; L201-I245 HydrophobicContact CD2-CD1 4.15Å; V204-I245 HydrophobicContact CG2-CG2 3.99Å; F207-I245 HydrophobicContact CD2-CD1 4.49Å; F207-I245 HydrophobicContact CE2-CD1 3.28Å; F207-I245 HydrophobicContact CZ-CD1 3.54Å; M222-I245 HydrophobicContact CE-CD1 3.5Å; M222-I245 HydrophobicContact CE-CG1 4.44Å; M222-I245 HydrophobicContact SD-CD1 4.32Å; F243-I245 HydrophobicContact CD1-CG1 4.25Å; F243-I245 HydrophobicContact CE1-CD1 3.81Å; F243-I245 HydrophobicContact CE1-CG1 3.5Å; F243-I245 HydrophobicContact CZ-CG1 4.06Å; I245-S247 PolarHBondContact O-N 3.12Å; I245-F274 HydrophobicContact CG1-CB 4.24Å; I245-V298 CarbonylContact O-C 3.59Å; I245-V298 WeakPolarHBondContact O-CA 3.27Å; I245-L299 HydrophobicContact CB-CB 4.37Å; I245-L299 PolarHBondContact N-O 3.42Å; I245-L299 PolarHBondContact O-N 2.83Å
246	I	92.2	Very high	84.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	112.8	-177	-56.9	166.3	0	0	0	109.7	F200 V251 L269 K271 G272 D273 F275 V296 V298	F200-I246 VanDerWaalsContact CZ-O 3.27Å; F200-I246 WeakPolarHBondContact CZ-O 3.5Å; I246-V251 HydrophobicContact CD1-CG1 4.32Å; I246-V251 HydrophobicContact CD1-CG2 3.55Å; I246-L269 HydrophobicContact CD1-CB 3.53Å; I246-K271 CarbonylContact O-C 3.56Å; I246-K271 WeakPolarHBondContact O-CA 3.12Å; I246-G272 PolarHBondContact O-N 3.43Å; I246-D273 HydrophobicContact CD1-CB 4.33Å; I246-D273 PolarHBondContact N-O 3.38Å; I246-F275 HydrophobicContact CD1-CD1 4.38Å; I246-F275 HydrophobicContact CD1-CE1 4.16Å; I246-F275 HydrophobicContact CG1-CD1 4.33Å; I246-F275 HydrophobicContact CG1-CE1 3.81Å; I246-V296 HydrophobicContact CG2-CG1 4.35Å; I246-V298 HydrophobicContact CG1-CG1 4.39Å
247	S	89.9	Confident	84.7	Confident	18 Å²	18	47.7 Å²	47.7	13%	0.126	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-31.8	176.9	57.2	0	0	0	0	112.7	I245 K271 E297	I245-S247 PolarHBondContact O-N 3.12Å; S247-K271 VanDerWaalsContact O-CD 3.25Å; S247-K271 WeakPolarHBondContact O-CD 3.35Å; S247-K271 VanDerWaalsContact O-CE 3.29Å; S247-K271 WeakPolarHBondContact O-CE 3.29Å; S247-K271 VanDerWaalsContact O-CG 3.31Å; S247-K271 WeakPolarHBondContact O-CG 2.99Å; S247-E297 PolarHBondContact N-O 3.28Å; S247-E297 VanDerWaalsContact OG-C 3.26Å; S247-E297 WeakPolarHBondContact OG-CB 3.34Å; S247-E297 PolarHBondContact OG-O 3.25Å; S247-E297 VanDerWaalsContact OG-O 3.05Å
248	S	91.4	Very high	84.8	Confident	41 Å²	41	54.4 Å²	54.4	29%	0.287	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	157.3	171.3	69.1	0	0	0	0	112.3	V296 E297	S248-V296 WeakPolarHBondContact O-CA 3.38Å; S248-E297 PolarHBondContact N-O 3.09Å; S248-E297 PolarHBondContact O-N 3.24Å; S248-E297 WeakPolarHBondContact OG-CB 3.36Å; S248-E297 WeakPolarHBondContact OG-CG 3.31Å
249	G	91	Very high	84.6	Confident	20 Å²	20	53.6 Å²	53.6	21%	0.206	29%	0.289	C	S	.	.	S	Bend	trans	83.7	-165.9	-177.4	0	0	0	0	0	112.9	D294	G249-D294 WeakPolarHBondContact CA-OD1 3.46Å
250	Q	94.6	Very high	84.6	Confident	78 Å²	78	51 Å²	51	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.7	-178.5	-59.2	179.9	6.2	0	0	110.9	I268 L269 H270 A293 D294 V296	Q250-I268 HydrophobicContact CB-CG2 4.21Å; Q250-L269 WeakPolarHBondContact CA-O 3.49Å; Q250-H270 PolarHBondContact NE2-CD2 3.36Å; Q250-A293 HydrophobicContact CB-CB 4.23Å; Q250-A293 WeakPolarHBondContact O-CB 3.32Å; Q250-A293 PolarHBondContact O-N 3.15Å; Q250-D294 PolarHBondContact N-OD1 3.12Å; Q250-V296 WeakPolarHBondContact O-CG2 3.14Å
251	V	93.8	Very high	84.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.4	176.7	-55.8	0	0	0	0	110.5	I233 I246 I268 L269 F275 V290 I291 V296	I233-V251 HydrophobicContact CD1-CG1 3.56Å; I246-V251 HydrophobicContact CD1-CG1 4.32Å; I246-V251 HydrophobicContact CD1-CG2 3.55Å; V251-I268 WeakPolarHBondContact O-CA 3.23Å; V251-L269 HydrophobicContact CG2-CB 3.7Å; V251-L269 HydrophobicContact CG2-CD1 4.25Å; V251-L269 HydrophobicContact CG2-CG 4.32Å; V251-L269 PolarHBondContact N-O 3.24Å; V251-L269 PolarHBondContact O-N 2.88Å; V251-F275 HydrophobicContact CG2-CE1 4.28Å; V251-V290 HydrophobicContact CB-CG1 3.63Å; V251-V290 HydrophobicContact CG1-CG1 4.17Å; V251-V290 HydrophobicContact CG2-CG1 3.51Å; V251-I291 CarbonylContact C-O 3.56Å; V251-I291 VanDerWaalsContact CA-O 3.28Å; V251-I291 WeakPolarHBondContact CA-O 3.2Å; V251-I291 WeakPolarHBondContact CB-O 3.22Å; V251-V296 HydrophobicContact CG1-CB 4.42Å; V251-V296 HydrophobicContact CG1-CG1 3.86Å; V251-V296 HydrophobicContact CG1-CG2 3.89Å
252	R	93.9	Very high	84.1	Confident	97 Å²	97	61 Å²	61	37%	0.366	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.4	171.4	-68.7	-179.7	-68.4	153.4	-1.2	109.4	E265 I268 I291 A293	R252-E265 WeakPolarHBondContact CD-OE2 3.17Å; R252-E265 IonicContact NH1-OE2 3.31Å; R252-I268 HydrophobicContact CG-CG1 4.24Å; R252-I291 PolarHBondContact N-O 2.89Å; R252-I291 PolarHBondContact O-N 3.44Å; R252-A293 HydrophobicContact CG-CB 3.96Å
253	V	90.5	Very high	83.4	Confident	14 Å²	14	62.1 Å²	62.1	9%	0.085	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.6	174.5	-175.3	0	0	0	0	108.1	V266 R267 L269 A288 S289 V290	V253-V266 PolarHBondContact O-N 2.94Å; V253-R267 HydrophobicContact CB-CG 3.82Å; V253-R267 HydrophobicContact CG2-CG 3.84Å; V253-R267 PolarHBondContact N-O 3.01Å; V253-L269 HydrophobicContact CG2-CD1 3.8Å; V253-L269 HydrophobicContact CG2-CG 3.93Å; V253-A288 HydrophobicContact CG1-CB 3.77Å; V253-S289 CarbonylContact C-O 3.59Å; V253-S289 WeakPolarHBondContact CA-O 3.09Å; V253-V290 HydrophobicContact CG2-CG2 4.34Å
254	T	83.8	Confident	83.1	Confident	15 Å²	15	65 Å²	65	9%	0.092	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.7	179.2	55.4	0	0	0	0	110.2	Q264 E265 A288 S289 I291	T254-Q264 CarbonylContact C-O 3.57Å; T254-Q264 WeakPolarHBondContact CA-O 3.26Å; T254-E265 HydrophobicContact CG2-CB 4.43Å; T254-A288 CarbonylContact O-C 3.47Å; T254-A288 WeakPolarHBondContact O-CB 3.46Å; T254-S289 PolarHBondContact N-O 2.9Å; T254-S289 PolarHBondContact O-N 3.49Å; T254-S289 WeakPolarHBondContact OG1-CB 3.31Å; T254-I291 HydrophobicContact CG2-CD1 4.16Å
255	Q	80.5	Confident	82.9	Confident	72 Å²	72	69.4 Å²	69.4	34%	0.336	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	144.3	179.9	-173.3	176	6.9	0	0	109.6	E236 I257 P263 Q264 V266 T287 A288	E236-Q255 WeakPolarHBondContact OE2-CA 2.98Å; Q255-I257 PolarHBondContact O-N 3.1Å; Q255-P263 CarbonylContact O-C 3.28Å; Q255-P263 WeakPolarHBondContact O-CA 3.45Å; Q255-Q264 PolarHBondContact N-O 3.38Å; Q255-Q264 PolarHBondContact O-N 2.83Å; Q255-V266 HydrophobicContact CB-CG2 3.73Å; Q255-T287 VanDerWaalsContact CD-O 3.29Å; Q255-T287 WeakPolarHBondContact CG-O 3.48Å; Q255-T287 PolarHBondContact NE2-O 2.81Å; Q255-T287 VanDerWaalsContact NE2-O 3.12Å; Q255-A288 HydrophobicContact CB-CB 4.2Å; Q255-A288 HydrophobicContact CG-CB 4.5Å
256	L	71.7	Confident	82.5	Confident	94 Å²	94	72.2 Å²	72.2	49%	0.492	39%	0.387	S	S	.	.			trans	-70.9	111.3	169.3	-170	67.3	0	0	0	109.8	E236	E236-L256 PolarHBondContact OE2-N 2.82Å
257	I	74.8	Confident	82.4	Confident	73 Å²	73	76.5 Å²	76.5	37%	0.374	40%	0.403	S	S	.	.			trans	-99	136.9	178.9	-57.9	-179.1	0	0	0	108.7	Q255 G259 F260 Q264	Q255-I257 PolarHBondContact O-N 3.1Å; I257-G259 PolarHBondContact O-N 2.97Å; I257-F260 HydrophobicContact CB-CD2 4.33Å; I257-F260 HydrophobicContact CG2-CD2 4.43Å; I257-F260 PolarHBondContact O-N 3.27Å; I257-F260 VanDerWaalsContact O-N 3.09Å; I257-Q264 HydrophobicContact CD1-CB 3.82Å; I257-Q264 HydrophobicContact CD1-CG 4.29Å; I257-Q264 HydrophobicContact CG1-CB 4.26Å
258	E	67.7	Low	82.5	Confident	194 Å²	194	78.8 Å²	78.8	91%	0.907	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	125.6	176.2	-167.7	176.5	-175.2	0	0	110.9
259	G	70.7	Confident	82.5	Confident	80 Å²	80	77.9 Å²	77.9	83%	0.825	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.1	-5.1	-177.1	0	0	0	0	0	115.5	I257	I257-G259 PolarHBondContact O-N 2.97Å
260	F	72.8	Confident	82.6	Confident	113 Å²	113	81 Å²	81	50%	0.496	41%	0.414	S	S	.	.			trans	-117	134	172.1	-67.6	-92.7	0	0	0	110.8	I257 E262 Q264	I257-F260 HydrophobicContact CB-CD2 4.33Å; I257-F260 HydrophobicContact CG2-CD2 4.43Å; I257-F260 PolarHBondContact O-N 3.27Å; I257-F260 VanDerWaalsContact O-N 3.09Å; F260-E262 VanDerWaalsContact C-N 3.26Å; F260-E262 PolarHBondContact O-N 2.92Å; F260-Q264 HydrophobicContact CB-CG 3.95Å; F260-Q264 HydrophobicContact CD1-CG 3.99Å; F260-Q264 HydrophobicContact CD2-CG 3.96Å; F260-Q264 HydrophobicContact CE1-CG 4.5Å; F260-Q264 HydrophobicContact CE2-CG 4.47Å; F260-Q264 HydrophobicContact CG-CG 3.69Å
261	D	70.8	Confident	82.5	Confident	169 Å²	169	83.1 Å²	83.1	90%	0.904	42%	0.422	S	S	*	.	S	Bend	trans	-74.8	-19.2	176.4	-67.6	-34.2	0	0	0	112.5
262	E	72.3	Confident	82.1	Confident	144 Å²	144	83.6 Å²	83.6	67%	0.673	43%	0.427	S	S	*	.	S	Bend	trans	-118.1	144.3	180	-64.9	-174.1	171.5	0	0	111.2	F260 Q264	F260-E262 VanDerWaalsContact C-N 3.26Å; F260-E262 PolarHBondContact O-N 2.92Å; E262-Q264 PolarHBondContact O-N 2.97Å; E262-Q264 PolarHBondContact O-NE2 2.96Å
263	P	72.9	Confident	82	Confident	73 Å²	73	82 Å²	82	47%	0.474	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-55.2	131.4	173.5	-25.1	34.4	0	0	0	112.3	Q255	Q255-P263 CarbonylContact O-C 3.28Å; Q255-P263 WeakPolarHBondContact O-CA 3.45Å
264	Q	84.1	Confident	82.1	Confident	62 Å²	62	82.8 Å²	82.8	29%	0.29	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.4	-179	-60.7	-57.4	-59.8	0	0	110.5	T254 Q255 I257 F260 E262 V266	T254-Q264 CarbonylContact C-O 3.57Å; T254-Q264 WeakPolarHBondContact CA-O 3.26Å; Q255-Q264 PolarHBondContact N-O 3.38Å; Q255-Q264 PolarHBondContact O-N 2.83Å; I257-Q264 HydrophobicContact CD1-CB 3.82Å; I257-Q264 HydrophobicContact CD1-CG 4.29Å; I257-Q264 HydrophobicContact CG1-CB 4.26Å; F260-Q264 HydrophobicContact CB-CG 3.95Å; F260-Q264 HydrophobicContact CD1-CG 3.99Å; F260-Q264 HydrophobicContact CD2-CG 3.96Å; F260-Q264 HydrophobicContact CE1-CG 4.5Å; F260-Q264 HydrophobicContact CE2-CG 4.47Å; F260-Q264 HydrophobicContact CG-CG 3.69Å; E262-Q264 PolarHBondContact O-N 2.97Å; E262-Q264 PolarHBondContact O-NE2 2.96Å; Q264-V266 PolarHBondContact O-N 2.89Å
265	E	88.8	Confident	82.4	Confident	101 Å²	101	82.6 Å²	82.6	47%	0.472	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	118.9	171.9	-171.8	179.2	118.8	0	0	110	R252 T254	R252-E265 WeakPolarHBondContact CD-OE2 3.17Å; R252-E265 IonicContact NH1-OE2 3.31Å; T254-E265 HydrophobicContact CG2-CB 4.43Å
266	V	84.3	Confident	82.6	Confident	58 Å²	58	79.8 Å²	79.8	35%	0.352	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-38.6	-176.6	-175.3	0	0	0	0	110.9	V253 Q255 Q264	V253-V266 PolarHBondContact O-N 2.94Å; Q255-V266 HydrophobicContact CB-CG2 3.73Å; Q264-V266 PolarHBondContact O-N 2.89Å
267	R	89.6	Confident	83.2	Confident	90 Å²	90	75.8 Å²	75.8	34%	0.34	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	166.1	-178.1	64.4	-170.7	80.3	-175.2	9.6	112.2	V253 L269	V253-R267 HydrophobicContact CB-CG 3.82Å; V253-R267 HydrophobicContact CG2-CG 3.84Å; V253-R267 PolarHBondContact N-O 3.01Å; R267-L269 HydrophobicContact CG-CD2 4.29Å
268	I	92.1	Very high	83.4	Confident	67 Å²	67	76.1 Å²	76.1	34%	0.344	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.6	168.6	-56	-177.9	0	0	0	108.5	Q250 V251 R252	Q250-I268 HydrophobicContact CB-CG2 4.21Å; V251-I268 WeakPolarHBondContact O-CA 3.23Å; R252-I268 HydrophobicContact CG-CG1 4.24Å
269	L	91.6	Very high	83.6	Confident	21 Å²	21	67.1 Å²	67.1	11%	0.11	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	145.2	174.3	-56.7	176.9	0	0	0	109.7	I246 Q250 V251 V253 R267 D273 F275	I246-L269 HydrophobicContact CD1-CB 3.53Å; Q250-L269 WeakPolarHBondContact CA-O 3.49Å; V251-L269 HydrophobicContact CG2-CB 3.7Å; V251-L269 HydrophobicContact CG2-CD1 4.25Å; V251-L269 HydrophobicContact CG2-CG 4.32Å; V251-L269 PolarHBondContact N-O 3.24Å; V251-L269 PolarHBondContact O-N 2.88Å; V253-L269 HydrophobicContact CG2-CD1 3.8Å; V253-L269 HydrophobicContact CG2-CG 3.93Å; R267-L269 HydrophobicContact CG-CD2 4.29Å; L269-D273 HydrophobicContact CB-CB 3.89Å; L269-D273 HydrophobicContact CD2-CB 4.2Å; L269-D273 HydrophobicContact CG-CB 4.49Å; L269-F275 HydrophobicContact CD1-CB 4.07Å; L269-F275 HydrophobicContact CD1-CD1 4.05Å; L269-F275 HydrophobicContact CD1-CG 4.45Å
270	H	93.7	Very high	84	Confident	85 Å²	85	63.3 Å²	63.3	39%	0.394	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	175.8	-171.6	-54	80.2	0	0	0	111.1	Q250 G272 D273	Q250-H270 PolarHBondContact NE2-CD2 3.36Å; H270-G272 PolarHBondContact O-N 3.47Å; H270-D273 PolarHBondContact N-OD2 3.01Å; H270-D273 IonicContact ND1-OD2 3.17Å; H270-D273 VanDerWaalsContact O-CB 3.25Å; H270-D273 WeakPolarHBondContact O-CB 3.46Å; H270-D273 PolarHBondContact O-N 3.37Å
271	K	91.3	Very high	83.9	Confident	123 Å²	123	61.6 Å²	61.6	54%	0.535	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	126.2	171.3	178.4	178	179.7	-170.6	0	111.9	F200 I246 S247	F200-K271 HydrophobicContact CE2-CD 4.45Å; F200-K271 HydrophobicContact CE2-CG 3.94Å; I246-K271 CarbonylContact O-C 3.56Å; I246-K271 WeakPolarHBondContact O-CA 3.12Å; S247-K271 VanDerWaalsContact O-CD 3.25Å; S247-K271 WeakPolarHBondContact O-CD 3.35Å; S247-K271 VanDerWaalsContact O-CE 3.29Å; S247-K271 WeakPolarHBondContact O-CE 3.29Å; S247-K271 VanDerWaalsContact O-CG 3.31Å; S247-K271 WeakPolarHBondContact O-CG 2.99Å
272	G	87.3	Confident	83.6	Confident	11 Å²	11	56.4 Å²	56.4	11%	0.113	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-13.4	-178.8	0	0	0	0	0	114.7	I246 H270	I246-G272 PolarHBondContact O-N 3.43Å; H270-G272 PolarHBondContact O-N 3.47Å
273	D	91.1	Very high	83.1	Confident	63 Å²	63	53.4 Å²	53.4	34%	0.337	28%	0.284	S	S	.	.			trans	-76.8	160.9	169	-66.2	-38.5	0	0	0	110.8	I246 L269 H270	I246-D273 HydrophobicContact CD1-CB 4.33Å; I246-D273 PolarHBondContact N-O 3.38Å; L269-D273 HydrophobicContact CB-CB 3.89Å; L269-D273 HydrophobicContact CD2-CB 4.2Å; L269-D273 HydrophobicContact CG-CB 4.49Å; H270-D273 PolarHBondContact N-OD2 3.01Å; H270-D273 IonicContact ND1-OD2 3.17Å; H270-D273 VanDerWaalsContact O-CB 3.25Å; H270-D273 WeakPolarHBondContact O-CB 3.46Å; H270-D273 PolarHBondContact O-N 3.37Å
274	F	91.3	Very high	82.8	Confident	30 Å²	30	56.3 Å²	56.3	13%	0.132	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	162.1	-178	62.4	-96	0	0	0	111.6	L206 F243 F244 I245 E277 L316	L206-F274 HydrophobicContact CB-CD1 4.2Å; L206-F274 HydrophobicContact CB-CE1 3.99Å; L206-F274 HydrophobicContact CD1-CE1 4.04Å; L206-F274 HydrophobicContact CD1-CZ 4.16Å; L206-F274 HydrophobicContact CD2-CD1 3.77Å; L206-F274 HydrophobicContact CD2-CE1 3.8Å; L206-F274 HydrophobicContact CD2-CG 4.13Å; L206-F274 HydrophobicContact CD2-CZ 4.19Å; L206-F274 HydrophobicContact CG-CD1 4.46Å; L206-F274 HydrophobicContact CG-CE1 4.15Å; F243-F274 HydrophobicContact CE1-CB 4.48Å; F243-F274 HydrophobicContact CE2-CB 3.84Å; F243-F274 AromaticContact CE2-CD2 3.58Å; F243-F274 HydrophobicContact CE2-CD2 3.58Å; F243-F274 HydrophobicContact CE2-CE2 4.42Å; F243-F274 AromaticContact CE2-CG 3.95Å; F243-F274 HydrophobicContact CE2-CG 3.95Å; F243-F274 HydrophobicContact CZ-CB 3.56Å; F243-F274 AromaticContact CZ-CD2 3.93Å; F243-F274 HydrophobicContact CZ-CD2 3.93Å; F243-F274 AromaticContact CZ-CG 3.83Å; F243-F274 HydrophobicContact CZ-CG 3.83Å; F244-F274 CarbonylContact O-C 3.55Å; F244-F274 WeakPolarHBondContact O-CA 3.47Å; F244-F274 WeakPolarHBondContact O-CB 3.31Å; I245-F274 HydrophobicContact CG1-CB 4.24Å; F274-E277 HydrophobicContact CE2-CG 4.33Å; F274-L316 HydrophobicContact CE2-CD2 4.17Å
275	F	91	Very high	82.3	Confident	11 Å²	11	56.3 Å²	56.3	5%	0.048	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.5	174.6	56.9	-88.3	0	0	0	112.2	I233 V234 F244 I246 V251 L269 E277 V290 V298	I233-F275 HydrophobicContact CB-CZ 4.5Å; I233-F275 HydrophobicContact CD1-CZ 4.16Å; I233-F275 HydrophobicContact CG2-CE2 3.96Å; I233-F275 HydrophobicContact CG2-CZ 3.94Å; V234-F275 HydrophobicContact CG2-CD2 4.28Å; V234-F275 HydrophobicContact CG2-CE2 3.96Å; F244-F275 HydrophobicContact CB-CD1 4.1Å; F244-F275 HydrophobicContact CB-CD2 3.79Å; F244-F275 HydrophobicContact CB-CE1 3.74Å; F244-F275 HydrophobicContact CB-CE2 3.4Å; F244-F275 HydrophobicContact CB-CG 4.13Å; F244-F275 HydrophobicContact CB-CZ 3.36Å; F244-F275 HydrophobicContact CD1-CE2 4.06Å; F244-F275 HydrophobicContact CD1-CZ 4.17Å; F244-F275 AromaticContact CD2-CD2 3.72Å; F244-F275 HydrophobicContact CD2-CD2 3.72Å; F244-F275 AromaticContact CD2-CE2 3.43Å; F244-F275 HydrophobicContact CD2-CE2 3.43Å; F244-F275 VanDerWaalsContact CD2-CE2 3.43Å; F244-F275 HydrophobicContact CD2-CZ 4.24Å; F244-F275 HydrophobicContact CE2-CE2 4.18Å; F244-F275 AromaticContact CG-CD2 3.97Å; F244-F275 HydrophobicContact CG-CD2 3.97Å; F244-F275 AromaticContact CG-CE2 3.36Å; F244-F275 HydrophobicContact CG-CE2 3.36Å; F244-F275 AromaticContact CG-CZ 3.7Å; F244-F275 HydrophobicContact CG-CZ 3.7Å; F244-F275 PolarHBondContact N-O 2.98Å; F244-F275 PolarHBondContact O-N 2.7Å; I246-F275 HydrophobicContact CD1-CD1 4.38Å; I246-F275 HydrophobicContact CD1-CE1 4.16Å; I246-F275 HydrophobicContact CG1-CD1 4.33Å; I246-F275 HydrophobicContact CG1-CE1 3.81Å; V251-F275 HydrophobicContact CG2-CE1 4.28Å; L269-F275 HydrophobicContact CD1-CB 4.07Å; L269-F275 HydrophobicContact CD1-CD1 4.05Å; L269-F275 HydrophobicContact CD1-CG 4.45Å; F275-E277 WeakPolarHBondContact CA-OE2 3.39Å; F275-V290 HydrophobicContact CD1-CG1 4.36Å; F275-V290 HydrophobicContact CD2-CB 4.25Å; F275-V290 HydrophobicContact CD2-CG1 4.17Å; F275-V290 HydrophobicContact CD2-CG2 3.81Å; F275-V290 HydrophobicContact CE1-CG1 4.11Å; F275-V290 HydrophobicContact CE2-CB 4.13Å; F275-V290 HydrophobicContact CE2-CG1 3.91Å; F275-V290 HydrophobicContact CE2-CG2 4.21Å; F275-V290 HydrophobicContact CG-CG1 4.39Å; F275-V290 HydrophobicContact CG-CG2 4.2Å; F275-V290 HydrophobicContact CZ-CG1 3.88Å; F275-V298 HydrophobicContact CE1-CG1 4.43Å; F275-V298 HydrophobicContact CZ-CG1 4.28Å
276	G	84.8	Confident	81.8	Confident	14 Å²	14	52.3 Å²	52.3	14%	0.144	28%	0.276	C	S	.	.			trans	95.1	-0.6	173.3	0	0	0	0	0	115.1	K278 R286	G276-K278 PolarHBondContact O-N 3.13Å; G276-R286 PolarHBondContact O-NH1 2.88Å
277	E	84.6	Confident	81.5	Confident	9 Å²	9	52 Å²	52	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-35.7	179.9	73.6	-61.4	152.6	0	0	113.6	F243 F274 F275 A279 L280 L281 F306 L316	F243-E277 HydrophobicContact CD2-CB 3.95Å; F243-E277 HydrophobicContact CE2-CB 4.04Å; F274-E277 HydrophobicContact CE2-CG 4.33Å; F275-E277 WeakPolarHBondContact CA-OE2 3.39Å; E277-A279 PolarHBondContact O-N 3.34Å; E277-L280 WeakPolarHBondContact O-CB 3.42Å; E277-L280 PolarHBondContact O-N 3.25Å; E277-L281 HydrophobicContact CB-CD1 4.3Å; E277-L281 HydrophobicContact CG-CD1 4.41Å; E277-L281 WeakPolarHBondContact O-CG 3.43Å; E277-L281 PolarHBondContact O-N 2.85Å; E277-F306 HydrophobicContact CB-CE2 4.11Å; E277-F306 HydrophobicContact CB-CZ 3.9Å; E277-L316 HydrophobicContact CB-CD2 4.1Å; E277-L316 HydrophobicContact CG-CD2 4.47Å
278	K	78.9	Confident	81.2	Confident	81 Å²	81	48.4 Å²	48.4	35%	0.352	26%	0.264	S	S	.	.	H	α-helix	trans	-58.2	-44.2	-178.1	-78.9	-168	169	-165.6	0	113.9	G276 L280 L281 G282 D283	G276-K278 PolarHBondContact O-N 3.13Å; K278-L280 PolarHBondContact O-N 3.44Å; K278-L281 PolarHBondContact O-N 2.96Å; K278-G282 PolarHBondContact O-N 2.63Å; K278-D283 PolarHBondContact O-N 2.9Å
279	A	72.5	Confident	80.8	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.033	25%	0.251	C	S	.	.	I	π-helix	trans	-64.3	-25.6	177.6	0	0	0	0	0	112.3	E277 E284	E277-A279 PolarHBondContact O-N 3.34Å; A279-E284 WeakPolarHBondContact O-CA 3.28Å; A279-E284 PolarHBondContact O-N 3.34Å
280	L	77.4	Confident	80.8	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.248	C	C	.	.	I	π-helix	trans	-87.2	-27.8	179.1	-51.3	-175.3	0	0	0	113.3	G240 F243 E277 K278 Q303 F306 R307	G240-L280 WeakPolarHBondContact O-CD2 3.35Å; F243-L280 HydrophobicContact CB-CD1 3.68Å; E277-L280 WeakPolarHBondContact O-CB 3.42Å; E277-L280 PolarHBondContact O-N 3.25Å; K278-L280 PolarHBondContact O-N 3.44Å; L280-Q303 HydrophobicContact CD2-CB 3.89Å; L280-Q303 HydrophobicContact CD2-CG 3.89Å; L280-F306 HydrophobicContact CB-CD1 3.78Å; L280-F306 HydrophobicContact CB-CE1 3.72Å; L280-F306 HydrophobicContact CB-CG 4.49Å; L280-F306 HydrophobicContact CB-CZ 4.38Å; L280-F306 HydrophobicContact CD1-CB 3.85Å; L280-F306 HydrophobicContact CD1-CD1 3.64Å; L280-F306 HydrophobicContact CD1-CD2 3.81Å; L280-F306 HydrophobicContact CD1-CE1 4.09Å; L280-F306 HydrophobicContact CD1-CE2 4.24Å; L280-F306 HydrophobicContact CD1-CG 3.49Å; L280-F306 VanDerWaalsContact CD1-CG 3.49Å; L280-F306 HydrophobicContact CD1-CZ 4.35Å; L280-F306 HydrophobicContact CG-CD1 4.39Å; L280-R307 PolarHBondContact O-NE 3.2Å; L280-R307 PolarHBondContact O-NH2 3Å
281	L	72	Confident	80.7	Confident	77 Å²	77	41.7 Å²	41.7	40%	0.403	23%	0.233	S	C	.	.	I	π-helix	trans	-95.2	-17.5	-175.6	-70	174.1	0	0	0	114.5	E277 K278 F306 L316	E277-L281 HydrophobicContact CB-CD1 4.3Å; E277-L281 HydrophobicContact CG-CD1 4.41Å; E277-L281 WeakPolarHBondContact O-CG 3.43Å; E277-L281 PolarHBondContact O-N 2.85Å; K278-L281 PolarHBondContact O-N 2.96Å; L281-F306 HydrophobicContact CD1-CE1 4.44Å; L281-F306 HydrophobicContact CD1-CZ 4.14Å; L281-F306 HydrophobicContact CD2-CE1 3.72Å; L281-F306 HydrophobicContact CD2-CZ 4.2Å; L281-F306 HydrophobicContact CG-CE1 3.8Å; L281-F306 HydrophobicContact CG-CZ 3.97Å; L281-L316 HydrophobicContact CD1-CB 4.03Å
282	G	65.1	Low	80.7	Confident	59 Å²	59	35.9 Å²	35.9	61%	0.608	21%	0.207	S	C	*	.	I	π-helix	trans	179.6	-32	175.7	0	0	0	0	0	117.7	K278 E284	K278-G282 PolarHBondContact O-N 2.63Å; G282-E284 PolarHBondContact O-N 2.86Å
283	D	61.2	Low	80.9	Confident	81 Å²	81	36.7 Å²	36.7	43%	0.433	21%	0.213	S	C	.	.	I	π-helix	trans	-80.9	-15.2	-168	-67.9	-28	0	0	0	113.7	K278 V285 T287	K278-D283 PolarHBondContact O-N 2.9Å; D283-V285 WeakPolarHBondContact O-CG2 3.46Å; D283-V285 PolarHBondContact O-N 2.65Å; D283-T287 HydrophobicContact CB-CG2 4.3Å
284	E	66.3	Low	80.9	Confident	134 Å²	134	36.4 Å²	36.4	63%	0.626	21%	0.211	S	C	*	.	S	Bend	trans	55.8	-30.9	-171.9	-63.8	-166.5	174.1	0	0	115.8	K239 G240 A279 G282	K239-E284 WeakPolarHBondContact CA-O 3.32Å; G240-E284 PolarHBondContact N-O 3.28Å; G240-E284 VanDerWaalsContact N-O 3.09Å; A279-E284 WeakPolarHBondContact O-CA 3.28Å; A279-E284 PolarHBondContact O-N 3.34Å; G282-E284 PolarHBondContact O-N 2.86Å
285	V	72.8	Confident	80.7	Confident	62 Å²	62	37.3 Å²	37.3	38%	0.376	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-109.2	152.9	177.3	-62.1	0	0	0	0	111.1	E238 D283	E238-V285 CarbonylContact O-C 3.57Å; E238-V285 WeakPolarHBondContact O-CA 3.4Å; D283-V285 WeakPolarHBondContact O-CG2 3.46Å; D283-V285 PolarHBondContact O-N 2.65Å
286	R	79.3	Confident	80.5	Confident	18 Å²	18	36.8 Å²	36.8	7%	0.068	22%	0.222	C	C	.	.			trans	-74.7	124.8	178	-57.7	-69	-165.1	-171.3	-0.2	109.2	V234 R235 G237 E238 G240 L242 G276 A288	V234-R286 HydrophobicContact CG1-CB 3.74Å; V234-R286 VanDerWaalsContact CG1-CD 3.42Å; V234-R286 HydrophobicContact CG1-CG 3.44Å; V234-R286 VanDerWaalsContact CG1-CG 3.44Å; R235-R286 VanDerWaalsContact O-CB 3.27Å; R235-R286 WeakPolarHBondContact O-CB 3.35Å; G237-R286 PolarHBondContact N-O 2.84Å; E238-R286 HydrophobicContact CB-CG 4.4Å; E238-R286 VanDerWaalsContact O-CG 3.28Å; E238-R286 WeakPolarHBondContact O-CG 3.31Å; E238-R286 PolarHBondContact O-N 2.78Å; G240-R286 VanDerWaalsContact CA-NE 3.27Å; L242-R286 PolarHBondContact O-NH1 2.86Å; L242-R286 PolarHBondContact O-NH2 2.96Å; G276-R286 PolarHBondContact O-NH1 2.88Å; R286-A288 VanDerWaalsContact C-N 3.34Å
287	T	77.8	Confident	80.8	Confident	51 Å²	51	39.8 Å²	39.8	31%	0.313	23%	0.232	S	C	.	.	S	Bend	trans	-86.6	-4.1	-177.5	63.6	0	0	0	0	114	Q255 D283	Q255-T287 VanDerWaalsContact CD-O 3.29Å; Q255-T287 WeakPolarHBondContact CG-O 3.48Å; Q255-T287 PolarHBondContact NE2-O 2.81Å; Q255-T287 VanDerWaalsContact NE2-O 3.12Å; D283-T287 HydrophobicContact CB-CG2 4.3Å
288	A	83.6	Confident	81.1	Confident	15 Å²	15	39.3 Å²	39.3	12%	0.124	23%	0.23	C	C	.	.	S	Bend	trans	-156.6	157.4	-179.8	0	0	0	0	0	109.4	V253 T254 Q255 R286	V253-A288 HydrophobicContact CG1-CB 3.77Å; T254-A288 CarbonylContact O-C 3.47Å; T254-A288 WeakPolarHBondContact O-CB 3.46Å; Q255-A288 HydrophobicContact CB-CB 4.2Å; Q255-A288 HydrophobicContact CG-CB 4.5Å; R286-A288 VanDerWaalsContact C-N 3.34Å
289	S	83	Confident	81.7	Confident	12 Å²	12	35.6 Å²	35.6	8%	0.084	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144.8	170.2	-58.5	0	0	0	0	110.4	V234 E236 V253 T254	V234-S289 CarbonylContact O-C 3.54Å; V234-S289 VanDerWaalsContact O-CA 3.26Å; V234-S289 WeakPolarHBondContact O-CA 3.4Å; E236-S289 WeakPolarHBondContact CB-OG 3.15Å; E236-S289 PolarHBondContact N-OG 3.46Å; V253-S289 CarbonylContact C-O 3.59Å; V253-S289 WeakPolarHBondContact CA-O 3.09Å; T254-S289 PolarHBondContact N-O 2.9Å; T254-S289 PolarHBondContact O-N 3.49Å; T254-S289 WeakPolarHBondContact OG1-CB 3.31Å
290	V	91.2	Very high	82.5	Confident	7 Å²	7	35.7 Å²	35.7	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.2	175.6	-175.1	0	0	0	0	108.7	I233 V234 V251 V253 F275	I233-V290 HydrophobicContact CD1-CG1 4.44Å; I233-V290 PolarHBondContact N-O 3.22Å; V234-V290 HydrophobicContact CB-CB 4.16Å; V234-V290 HydrophobicContact CB-CG2 4.26Å; V234-V290 PolarHBondContact N-O 2.77Å; V234-V290 PolarHBondContact O-N 2.82Å; V251-V290 HydrophobicContact CB-CG1 3.63Å; V251-V290 HydrophobicContact CG1-CG1 4.17Å; V251-V290 HydrophobicContact CG2-CG1 3.51Å; V253-V290 HydrophobicContact CG2-CG2 4.34Å; F275-V290 HydrophobicContact CD1-CG1 4.36Å; F275-V290 HydrophobicContact CD2-CB 4.25Å; F275-V290 HydrophobicContact CD2-CG1 4.17Å; F275-V290 HydrophobicContact CD2-CG2 3.81Å; F275-V290 HydrophobicContact CE1-CG1 4.11Å; F275-V290 HydrophobicContact CE2-CB 4.13Å; F275-V290 HydrophobicContact CE2-CG1 3.91Å; F275-V290 HydrophobicContact CE2-CG2 4.21Å; F275-V290 HydrophobicContact CG-CG1 4.39Å; F275-V290 HydrophobicContact CG-CG2 4.2Å; F275-V290 HydrophobicContact CZ-CG1 3.88Å
291	I	91.4	Very high	83.1	Confident	13 Å²	13	35.7 Å²	35.7	7%	0.067	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.3	-170.7	-54.6	160	0	0	0	108.7	T231 Y232 V251 R252 T254 A293	T231-I291 WeakPolarHBondContact O-CA 3.36Å; Y232-I291 HydrophobicContact CD1-CD1 4.21Å; Y232-I291 HydrophobicContact CD1-CG1 3.63Å; Y232-I291 HydrophobicContact CD2-CG1 4.37Å; Y232-I291 HydrophobicContact CE1-CD1 3.6Å; Y232-I291 HydrophobicContact CE1-CG1 3.57Å; Y232-I291 HydrophobicContact CE2-CD1 4.36Å; Y232-I291 HydrophobicContact CE2-CG1 4.33Å; Y232-I291 HydrophobicContact CG-CG1 4.05Å; V251-I291 CarbonylContact C-O 3.56Å; V251-I291 VanDerWaalsContact CA-O 3.28Å; V251-I291 WeakPolarHBondContact CA-O 3.2Å; V251-I291 WeakPolarHBondContact CB-O 3.22Å; R252-I291 PolarHBondContact N-O 2.89Å; R252-I291 PolarHBondContact O-N 3.44Å; T254-I291 HydrophobicContact CG2-CD1 4.16Å; I291-A293 PolarHBondContact O-N 3.33Å
292	A	91.9	Very high	83.9	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	119.6	175	0	0	0	0	0	110.3	F227 A228 G230 T231 D294 V296	F227-A292 HydrophobicContact CB-CB 4.21Å; A228-A292 WeakPolarHBondContact O-CB 3.14Å; G230-A292 PolarHBondContact N-O 3.26Å; T231-A292 PolarHBondContact O-N 3.44Å; A292-D294 WeakPolarHBondContact CB-O 3.31Å; A292-V296 HydrophobicContact CB-CB 4.28Å; A292-V296 HydrophobicContact CB-CG2 3.91Å
293	A	91.2	Very high	84.7	Confident	28 Å²	28	34.8 Å²	34.8	23%	0.231	19%	0.194	C	C	.	.	S	Bend	trans	-83	-25.8	178.9	0	0	0	0	0	111.8	Q250 R252 I291	Q250-A293 HydrophobicContact CB-CB 4.23Å; Q250-A293 WeakPolarHBondContact O-CB 3.32Å; Q250-A293 PolarHBondContact O-N 3.15Å; R252-A293 HydrophobicContact CG-CB 3.96Å; I291-A293 PolarHBondContact O-N 3.33Å
294	D	90.6	Very high	85.6	Confident	57 Å²	57	34 Å²	34	31%	0.305	19%	0.188	S	C	.	.	S	Bend	trans	-141.9	-162.1	172	57.7	10.1	0	0	0	109	E229 G249 Q250 A292 V296	E229-D294 WeakPolarHBondContact CA-O 3.46Å; E229-D294 PolarHBondContact N-O 2.85Å; G249-D294 WeakPolarHBondContact CA-OD1 3.46Å; Q250-D294 PolarHBondContact N-OD1 3.12Å; A292-D294 WeakPolarHBondContact CB-O 3.31Å; D294-V296 PolarHBondContact O-N 3.01Å; D294-V296 WeakPolarHBondContact OD1-CG2 3.44Å
295	A	87.3	Confident	86.3	Confident	49 Å²	49	27.7 Å²	27.7	41%	0.405	16%	0.158	S	C	.	.	S	Bend	trans	-70.6	113.6	169.3	0	0	0	0	0	109.9	Y226	Y226-A295 HydrophobicContact CE2-CB 4.05Å; Y226-A295 WeakPolarHBondContact OH-CB 3.29Å
296	V	88.6	Confident	86.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.5	-172.5	176.3	0	0	0	0	110.8	F227 I233 I246 S248 Q250 V251 A292 D294 V298	F227-V296 PolarHBondContact N-O 3.34Å; F227-V296 PolarHBondContact O-N 3.46Å; I233-V296 HydrophobicContact CD1-CG1 4.28Å; I246-V296 HydrophobicContact CG2-CG1 4.35Å; S248-V296 WeakPolarHBondContact O-CA 3.38Å; Q250-V296 WeakPolarHBondContact O-CG2 3.14Å; V251-V296 HydrophobicContact CG1-CB 4.42Å; V251-V296 HydrophobicContact CG1-CG1 3.86Å; V251-V296 HydrophobicContact CG1-CG2 3.89Å; A292-V296 HydrophobicContact CB-CB 4.28Å; A292-V296 HydrophobicContact CB-CG2 3.91Å; D294-V296 PolarHBondContact O-N 3.01Å; D294-V296 WeakPolarHBondContact OD1-CG2 3.44Å; V296-V298 HydrophobicContact CG1-CG1 3.68Å
297	E	90.5	Very high	87.1	Confident	77 Å²	77	30.7 Å²	30.7	36%	0.36	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.6	164.5	-64.6	179.5	179.7	0	0	109	L224 D225 Y226 S247 S248	L224-E297 HydrophobicContact CD1-CB 4.17Å; D225-E297 WeakPolarHBondContact O-CA 3.4Å; Y226-E297 HydrophobicContact CD2-CG 4.06Å; S247-E297 PolarHBondContact N-O 3.28Å; S247-E297 VanDerWaalsContact OG-C 3.26Å; S247-E297 WeakPolarHBondContact OG-CB 3.34Å; S247-E297 PolarHBondContact OG-O 3.25Å; S247-E297 VanDerWaalsContact OG-O 3.05Å; S248-E297 PolarHBondContact N-O 3.09Å; S248-E297 PolarHBondContact O-N 3.24Å; S248-E297 WeakPolarHBondContact OG-CB 3.36Å; S248-E297 WeakPolarHBondContact OG-CG 3.31Å
298	V	90.7	Very high	87.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.8	177	-60.3	0	0	0	0	111.3	L224 D225 F227 I233 F244 I245 I246 F275 V296 T300	L224-V298 WeakPolarHBondContact CA-O 3.5Å; D225-V298 HydrophobicContact CB-CG2 3.99Å; D225-V298 PolarHBondContact N-O 3.34Å; D225-V298 PolarHBondContact O-N 2.79Å; F227-V298 HydrophobicContact CD2-CG2 3.97Å; F227-V298 HydrophobicContact CE2-CG2 3.52Å; I233-V298 HydrophobicContact CD1-CG1 4.4Å; F244-V298 HydrophobicContact CD1-CB 4.42Å; F244-V298 HydrophobicContact CD1-CG2 3.87Å; I245-V298 CarbonylContact O-C 3.59Å; I245-V298 WeakPolarHBondContact O-CA 3.27Å; I246-V298 HydrophobicContact CG1-CG1 4.39Å; F275-V298 HydrophobicContact CE1-CG1 4.43Å; F275-V298 HydrophobicContact CZ-CG1 4.28Å; V296-V298 HydrophobicContact CG1-CG1 3.68Å; V298-T300 HydrophobicContact CG2-CG2 4.15Å
299	L	90.8	Very high	87	Confident	2 Å²	2	29 Å²	29	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.9	164	-62.8	176.8	0	0	0	109.7	L197 F200 L201 M222 D223 L224 F244 I245	L197-L299 HydrophobicContact CD2-CD1 3.7Å; L197-L299 HydrophobicContact CD2-CD2 3.45Å; L197-L299 VanDerWaalsContact CD2-CD2 3.45Å; L197-L299 HydrophobicContact CD2-CG 4.23Å; F200-L299 HydrophobicContact CD1-CD1 3.63Å; F200-L299 HydrophobicContact CE1-CD1 3.68Å; F200-L299 HydrophobicContact CE1-CG 4.49Å; L201-L299 HydrophobicContact CD2-CD1 4.25Å; M222-L299 HydrophobicContact CB-CB 4.38Å; M222-L299 HydrophobicContact CG-CB 4.46Å; M222-L299 HydrophobicContact SD-CB 4.05Å; M222-L299 HydrophobicContact SD-CD1 3.96Å; D223-L299 CarbonylContact O-C 3.49Å; D223-L299 WeakPolarHBondContact O-CA 3.15Å; L224-L299 HydrophobicContact CB-CD2 4.2Å; L224-L299 HydrophobicContact CD1-CD2 3.72Å; L224-L299 HydrophobicContact CD1-CG 4.49Å; F244-L299 CarbonylContact C-O 3.56Å; F244-L299 VanDerWaalsContact CA-O 3.31Å; F244-L299 WeakPolarHBondContact CA-O 3.35Å; I245-L299 HydrophobicContact CB-CB 4.37Å; I245-L299 PolarHBondContact N-O 3.42Å; I245-L299 PolarHBondContact O-N 2.83Å
300	T	90.6	Very high	87.1	Confident	7 Å²	7	28.4 Å²	28.4	4%	0.043	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.6	179.6	58.8	0	0	0	0	111.4	M222 D223 D225 F243 F244 V298	M222-T300 VanDerWaalsContact CA-O 3.31Å; M222-T300 WeakPolarHBondContact CA-O 3.27Å; D223-T300 WeakPolarHBondContact CB-OG1 2.96Å; D223-T300 PolarHBondContact N-O 2.86Å; D223-T300 VanDerWaalsContact N-O 3.1Å; D223-T300 PolarHBondContact O-N 3.15Å; D225-T300 HydrophobicContact CB-CG2 4.4Å; D225-T300 WeakPolarHBondContact OD2-CG2 3.37Å; F243-T300 CarbonylContact O-C 3.49Å; F243-T300 WeakPolarHBondContact O-CA 3.47Å; F244-T300 HydrophobicContact CD1-CG2 3.52Å; F244-T300 HydrophobicContact CE1-CG2 3.54Å; V298-T300 HydrophobicContact CG2-CG2 4.15Å
301	L	89.2	Confident	86.4	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.8	174.5	-172.4	69	0	0	0	108.9	L218 S221 M222 F243 S305 F306 I310	L218-L301 HydrophobicContact CD2-CD1 4.43Å; L218-L301 HydrophobicContact CD2-CD2 3.67Å; S221-L301 VanDerWaalsContact CB-CD1 3.49Å; M222-L301 HydrophobicContact CE-CB 4.27Å; M222-L301 HydrophobicContact CE-CD2 4.29Å; M222-L301 HydrophobicContact CG-CB 4.38Å; M222-L301 HydrophobicContact CG-CD1 4.16Å; F243-L301 HydrophobicContact CB-CB 4.34Å; F243-L301 HydrophobicContact CD1-CB 4.15Å; F243-L301 HydrophobicContact CD1-CD2 4.45Å; F243-L301 PolarHBondContact N-O 2.85Å; F243-L301 PolarHBondContact O-N 2.97Å; L301-S305 VanDerWaalsContact CD1-CB 3.48Å; L301-F306 HydrophobicContact CD2-CB 4.04Å; L301-F306 HydrophobicContact CG-CB 4.32Å; L301-I310 HydrophobicContact CD2-CD1 3.76Å; L301-I310 HydrophobicContact CD2-CG1 3.96Å
302	D	88.1	Confident	85.8	Confident	48 Å²	48	31.5 Å²	31.5	26%	0.257	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	161.3	179.7	73.3	86.9	0	0	0	112.6	D241 L242 E304 S305 F306	D241-D302 CarbonylContact O-C 3.55Å; L242-D302 HydrophobicContact CD2-CB 4.25Å; D302-E304 VanDerWaalsContact C-N 3.3Å; D302-E304 PolarHBondContact O-N 3.23Å; D302-E304 WeakPolarHBondContact OD1-CA 3.39Å; D302-E304 VanDerWaalsContact OD1-CB 3.31Å; D302-E304 WeakPolarHBondContact OD1-CB 3.48Å; D302-E304 PolarHBondContact OD1-N 3.35Å; D302-S305 PolarHBondContact O-N 3.48Å; D302-S305 PolarHBondContact OD1-N 3.4Å; D302-S305 WeakPolarHBondContact OD2-CB 3.29Å; D302-S305 PolarHBondContact OD2-OG 3.42Å; D302-F306 WeakPolarHBondContact O-CB 3.38Å; D302-F306 PolarHBondContact O-N 3.26Å
303	Q	83.3	Confident	85	Confident	69 Å²	69	32.1 Å²	32.1	32%	0.322	17%	0.169	S	C	.	.	H	α-helix	trans	-56.5	-39.3	-177.7	-175.4	177	63.7	0	0	113.7	D241 L280 R307	D241-Q303 WeakPolarHBondContact O-CB 3.27Å; D241-Q303 PolarHBondContact O-N 2.78Å; L280-Q303 HydrophobicContact CD2-CB 3.89Å; L280-Q303 HydrophobicContact CD2-CG 3.89Å; Q303-R307 WeakPolarHBondContact O-CG 3.45Å; Q303-R307 PolarHBondContact O-N 2.91Å; Q303-R307 VanDerWaalsContact O-N 3.09Å
304	E	79.6	Confident	84.1	Confident	66 Å²	66	36.5 Å²	36.5	31%	0.308	18%	0.184	S	C	.	.	H	α-helix	trans	-70	-48.3	-177.5	-176.3	171.4	173.1	0	0	109.6	D302 R307 K308 R589	D302-E304 VanDerWaalsContact C-N 3.3Å; D302-E304 PolarHBondContact O-N 3.23Å; D302-E304 WeakPolarHBondContact OD1-CA 3.39Å; D302-E304 VanDerWaalsContact OD1-CB 3.31Å; D302-E304 WeakPolarHBondContact OD1-CB 3.48Å; D302-E304 PolarHBondContact OD1-N 3.35Å; E304-R307 PolarHBondContact O-N 2.91Å; E304-K308 VanDerWaalsContact CD-NZ 3.33Å; E304-K308 HydrophobicContact CG-CD 4.03Å; E304-K308 VanDerWaalsContact CG-NZ 3.31Å; E304-K308 WeakPolarHBondContact O-CB 3.44Å; E304-K308 WeakPolarHBondContact O-CD 3.25Å; E304-K308 WeakPolarHBondContact O-CG 3.23Å; E304-K308 PolarHBondContact O-N 2.64Å; E304-K308 WeakPolarHBondContact OE1-CE 3.32Å; E304-K308 IonicContact OE1-NZ 2.84Å; E304-K308 PolarHBondContact OE1-NZ 3.16Å; E304-R589 VanDerWaalsContact CD-NH2 3.33Å; E304-R589 IonicContact OE1-CZ 3.75Å; E304-R589 IonicContact OE1-NE 3.7Å; E304-R589 IonicContact OE1-NH2 3.64Å; E304-R589 PolarHBondContact OE1-NH2 3.11Å; E304-R589 IonicContact OE2-CZ 3.58Å; E304-R589 IonicContact OE2-NH2 2.71Å; E304-R589 PolarHBondContact OE2-NH2 3.08Å
305	S	80.5	Confident	83.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-41.8	175.5	-61.6	0	0	0	0	112.1	L301 D302 R307 K308 L309 E594	L301-S305 VanDerWaalsContact CD1-CB 3.48Å; D302-S305 PolarHBondContact O-N 3.48Å; D302-S305 PolarHBondContact OD1-N 3.4Å; D302-S305 WeakPolarHBondContact OD2-CB 3.29Å; D302-S305 PolarHBondContact OD2-OG 3.42Å; S305-R307 PolarHBondContact O-N 3.11Å; S305-K308 PolarHBondContact O-N 2.61Å; S305-L309 WeakPolarHBondContact O-CA 3.25Å; S305-L309 WeakPolarHBondContact O-CB 3.31Å; S305-L309 WeakPolarHBondContact O-CG 3.37Å; S305-L309 PolarHBondContact O-N 3.4Å; S305-E594 WeakPolarHBondContact OG-CG 3.48Å; S305-E594 PolarHBondContact OG-OE1 3.4Å
306	F	85.7	Confident	82.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-54.9	-54.4	175.4	173.3	-90.1	0	0	0	111.3	F243 E277 L280 L281 L301 D302 K308 L309 I310 G311 L316	F243-F306 HydrophobicContact CB-CD2 3.54Å; F243-F306 HydrophobicContact CB-CE2 4.05Å; F243-F306 HydrophobicContact CB-CG 4.33Å; F243-F306 HydrophobicContact CD1-CD2 4.04Å; F243-F306 HydrophobicContact CD1-CE2 4.37Å; F243-F306 AromaticContact CD2-CD2 3.89Å; F243-F306 HydrophobicContact CD2-CD2 3.89Å; F243-F306 AromaticContact CD2-CE2 3.54Å; F243-F306 HydrophobicContact CD2-CE2 3.54Å; F243-F306 AromaticContact CE2-CE2 4Å; F243-F306 HydrophobicContact CE2-CE2 4Å; F243-F306 AromaticContact CG-CD2 3.56Å; F243-F306 HydrophobicContact CG-CD2 3.56Å; F243-F306 AromaticContact CG-CE2 3.74Å; F243-F306 HydrophobicContact CG-CE2 3.74Å; E277-F306 HydrophobicContact CB-CE2 4.11Å; E277-F306 HydrophobicContact CB-CZ 3.9Å; L280-F306 HydrophobicContact CB-CD1 3.78Å; L280-F306 HydrophobicContact CB-CE1 3.72Å; L280-F306 HydrophobicContact CB-CG 4.49Å; L280-F306 HydrophobicContact CB-CZ 4.38Å; L280-F306 HydrophobicContact CD1-CB 3.85Å; L280-F306 HydrophobicContact CD1-CD1 3.64Å; L280-F306 HydrophobicContact CD1-CD2 3.81Å; L280-F306 HydrophobicContact CD1-CE1 4.09Å; L280-F306 HydrophobicContact CD1-CE2 4.24Å; L280-F306 HydrophobicContact CD1-CG 3.49Å; L280-F306 VanDerWaalsContact CD1-CG 3.49Å; L280-F306 HydrophobicContact CD1-CZ 4.35Å; L280-F306 HydrophobicContact CG-CD1 4.39Å; L281-F306 HydrophobicContact CD1-CE1 4.44Å; L281-F306 HydrophobicContact CD1-CZ 4.14Å; L281-F306 HydrophobicContact CD2-CE1 3.72Å; L281-F306 HydrophobicContact CD2-CZ 4.2Å; L281-F306 HydrophobicContact CG-CE1 3.8Å; L281-F306 HydrophobicContact CG-CZ 3.97Å; L301-F306 HydrophobicContact CD2-CB 4.04Å; L301-F306 HydrophobicContact CG-CB 4.32Å; D302-F306 WeakPolarHBondContact O-CB 3.38Å; D302-F306 PolarHBondContact O-N 3.26Å; F306-K308 VanDerWaalsContact C-N 3.28Å; F306-K308 PolarHBondContact O-N 2.74Å; F306-L309 PolarHBondContact O-N 2.69Å; F306-I310 HydrophobicContact CD2-CD1 3.62Å; F306-I310 HydrophobicContact CD2-CG1 3.71Å; F306-I310 HydrophobicContact CE2-CD1 3.89Å; F306-I310 HydrophobicContact CE2-CG1 4.1Å; F306-I310 HydrophobicContact CG-CG1 4.26Å; F306-I310 CarbonylContact O-C 3.58Å; F306-I310 WeakPolarHBondContact O-CG1 3.39Å; F306-I310 PolarHBondContact O-N 3.46Å; F306-G311 PolarHBondContact O-N 3.44Å; F306-L316 HydrophobicContact CE1-CD1 4.43Å; F306-L316 HydrophobicContact CE2-CD1 3.67Å; F306-L316 HydrophobicContact CE2-CD2 3.93Å; F306-L316 HydrophobicContact CE2-CG 4.45Å; F306-L316 HydrophobicContact CZ-CD1 3.56Å; F306-L316 HydrophobicContact CZ-CD2 4.19Å; F306-L316 HydrophobicContact CZ-CG 4.4Å
307	R	83.2	Confident	81.2	Confident	144 Å²	144	41 Å²	41	54%	0.543	19%	0.193	S	C	.	.	H	α-helix	trans	-60.6	-38.1	-178.4	-74.8	178.4	174.8	-172	-0.1	112.5	L280 Q303 E304 S305	L280-R307 PolarHBondContact O-NE 3.2Å; L280-R307 PolarHBondContact O-NH2 3Å; Q303-R307 WeakPolarHBondContact O-CG 3.45Å; Q303-R307 PolarHBondContact O-N 2.91Å; Q303-R307 VanDerWaalsContact O-N 3.09Å; E304-R307 PolarHBondContact O-N 2.91Å; S305-R307 PolarHBondContact O-N 3.11Å
308	K	77.9	Confident	79.5	Confident	27 Å²	27	43.7 Å²	43.7	12%	0.117	20%	0.204	C	C	.	.	H	α-helix	trans	-77.6	-40.5	-177.9	-70.9	168.2	178.8	-176.8	0	113.3	E304 S305 F306 E594 Q599 S600	E304-K308 VanDerWaalsContact CD-NZ 3.33Å; E304-K308 HydrophobicContact CG-CD 4.03Å; E304-K308 VanDerWaalsContact CG-NZ 3.31Å; E304-K308 WeakPolarHBondContact O-CB 3.44Å; E304-K308 WeakPolarHBondContact O-CD 3.25Å; E304-K308 WeakPolarHBondContact O-CG 3.23Å; E304-K308 PolarHBondContact O-N 2.64Å; E304-K308 WeakPolarHBondContact OE1-CE 3.32Å; E304-K308 IonicContact OE1-NZ 2.84Å; E304-K308 PolarHBondContact OE1-NZ 3.16Å; S305-K308 PolarHBondContact O-N 2.61Å; F306-K308 VanDerWaalsContact C-N 3.28Å; F306-K308 PolarHBondContact O-N 2.74Å; K308-E594 PolarHBondContact NZ-O 2.8Å; K308-Q599 HydrophobicContact CB-CB 4.27Å; K308-Q599 HydrophobicContact CB-CG 3.95Å; K308-Q599 VanDerWaalsContact CD-CD 3.44Å; K308-Q599 HydrophobicContact CD-CG 3.76Å; K308-Q599 HydrophobicContact CG-CB 4.44Å; K308-Q599 HydrophobicContact CG-CG 3.83Å; K308-S600 PolarHBondContact O-N 3.32Å
309	L	82.2	Confident	77.5	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-100.5	-25.4	-168	-63.6	178.6	0	0	0	113.5	R214 K217 L218 S221 S305 F306 A593	R214-L309 PolarHBondContact NE-O 3.4Å; R214-L309 PolarHBondContact NH2-O 2.86Å; K217-L309 HydrophobicContact CB-CD1 4.46Å; K217-L309 HydrophobicContact CB-CD2 3.94Å; K217-L309 HydrophobicContact CD-CD2 4.36Å; L218-L309 HydrophobicContact CD2-CB 3.92Å; L218-L309 HydrophobicContact CD2-CD1 4.13Å; L218-L309 HydrophobicContact CG-CB 4.34Å; L218-L309 HydrophobicContact CG-CD1 4.45Å; S221-L309 WeakPolarHBondContact OG-CD1 3.43Å; S305-L309 WeakPolarHBondContact O-CA 3.25Å; S305-L309 WeakPolarHBondContact O-CB 3.31Å; S305-L309 WeakPolarHBondContact O-CG 3.37Å; S305-L309 PolarHBondContact O-N 3.4Å; F306-L309 PolarHBondContact O-N 2.69Å; L309-A593 HydrophobicContact CD1-CB 3.95Å; L309-A593 HydrophobicContact CD2-CB 4.28Å
310	I	84.8	Confident	75.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.2	-12.6	-179.9	53.5	171.9	0	0	0	114.5	F207 L210 L218 F243 L301 F306 D312 L313 L316	F207-I310 HydrophobicContact CD1-CG2 4.25Å; F207-I310 HydrophobicContact CE1-CB 4.44Å; F207-I310 HydrophobicContact CE1-CD1 3.98Å; F207-I310 HydrophobicContact CE1-CG2 3.7Å; F207-I310 HydrophobicContact CZ-CD1 4.09Å; F207-I310 HydrophobicContact CZ-CG2 4.44Å; L210-I310 HydrophobicContact CD1-CG2 3.98Å; L218-I310 HydrophobicContact CD1-CG2 3.61Å; L218-I310 HydrophobicContact CD2-CD1 4.48Å; L218-I310 HydrophobicContact CD2-CG2 3.75Å; L218-I310 HydrophobicContact CG-CG2 4.17Å; F243-I310 HydrophobicContact CD1-CD1 3.94Å; F243-I310 HydrophobicContact CE1-CD1 3.67Å; F243-I310 HydrophobicContact CZ-CD1 4.17Å; L301-I310 HydrophobicContact CD2-CD1 3.76Å; L301-I310 HydrophobicContact CD2-CG1 3.96Å; F306-I310 HydrophobicContact CD2-CD1 3.62Å; F306-I310 HydrophobicContact CD2-CG1 3.71Å; F306-I310 HydrophobicContact CE2-CD1 3.89Å; F306-I310 HydrophobicContact CE2-CG1 4.1Å; F306-I310 HydrophobicContact CG-CG1 4.26Å; F306-I310 CarbonylContact O-C 3.58Å; F306-I310 WeakPolarHBondContact O-CG1 3.39Å; F306-I310 PolarHBondContact O-N 3.46Å; I310-D312 PolarHBondContact O-N 3.26Å; I310-L313 HydrophobicContact CB-CD1 3.83Å; I310-L313 HydrophobicContact CB-CG 4.32Å; I310-L313 HydrophobicContact CG2-CD1 3.82Å; I310-L313 WeakPolarHBondContact O-CB 3.17Å; I310-L313 VanDerWaalsContact O-CG 3.25Å; I310-L313 WeakPolarHBondContact O-CG 3.25Å; I310-L313 PolarHBondContact O-N 3.22Å; I310-L316 HydrophobicContact CB-CD1 4.11Å; I310-L316 HydrophobicContact CD1-CD1 4.34Å; I310-L316 HydrophobicContact CG1-CD1 4.14Å; I310-L316 WeakPolarHBondContact O-CD1 3.29Å
311	G	76.7	Confident	73.5	Confident	20 Å²	20	54.4 Å²	54.4	21%	0.206	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.6	-174.5	0	0	0	0	0	115.9	F306	F306-G311 PolarHBondContact O-N 3.44Å
312	D	78.5	Confident	71.1	Confident	65 Å²	65	60.1 Å²	60.1	35%	0.348	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-3	171.7	74.3	-10.9	0	0	0	113.7	R214 I310 E314	R214-D312 IonicContact CZ-OD1 2.89Å; R214-D312 VanDerWaalsContact CZ-OD1 3.29Å; R214-D312 IonicContact CZ-OD2 3.55Å; R214-D312 IonicContact NH1-OD1 2.73Å; R214-D312 PolarHBondContact NH1-OD1 3.47Å; R214-D312 IonicContact NH1-OD2 2.91Å; R214-D312 IonicContact NH2-OD1 3.63Å; R214-D312 PolarHBondContact NH2-OD1 2.92Å; R214-D312 IonicContact NH2-OD2 2.61Å; I310-D312 PolarHBondContact O-N 3.26Å; D312-E314 PolarHBondContact O-N 3.04Å
313	L	76.1	Confident	68.8	Low	13 Å²	13	65.7 Å²	65.7	7%	0.068	32%	0.323	C	S	.	.			trans	-70.6	121.5	179.3	-72.9	-179.1	0	0	0	110.1	L206 F207 L210 I310 E315 L316	L206-L313 HydrophobicContact CD1-CD1 4.24Å; L206-L313 HydrophobicContact CG-CD1 4.21Å; F207-L313 HydrophobicContact CD1-CD1 4.08Å; F207-L313 HydrophobicContact CE1-CD1 4.23Å; L210-L313 HydrophobicContact CD1-CD1 4.37Å; L210-L313 HydrophobicContact CD2-CD1 4.14Å; L210-L313 HydrophobicContact CD2-CD2 3.67Å; L210-L313 HydrophobicContact CD2-CG 4.27Å; L210-L313 HydrophobicContact CG-CD1 4.45Å; I310-L313 HydrophobicContact CB-CD1 3.83Å; I310-L313 HydrophobicContact CB-CG 4.32Å; I310-L313 HydrophobicContact CG2-CD1 3.82Å; I310-L313 WeakPolarHBondContact O-CB 3.17Å; I310-L313 VanDerWaalsContact O-CG 3.25Å; I310-L313 WeakPolarHBondContact O-CG 3.25Å; I310-L313 PolarHBondContact O-N 3.22Å; L313-E315 PolarHBondContact O-N 3.25Å; L313-L316 HydrophobicContact CB-CD1 4.09Å; L313-L316 HydrophobicContact CB-CG 4.11Å; L313-L316 WeakPolarHBondContact O-CB 3.31Å; L313-L316 PolarHBondContact O-N 3.23Å
314	E	70.8	Confident	66.4	Low	119 Å²	119	71.2 Å²	71.2	56%	0.556	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-59.4	-29.2	174.2	-67	-59.5	138.7	0	0	112	D312 L316 K317	D312-E314 PolarHBondContact O-N 3.04Å; E314-L316 PolarHBondContact O-N 3.4Å; E314-K317 WeakPolarHBondContact O-CB 3.35Å; E314-K317 PolarHBondContact O-N 2.9Å; E314-K317 VanDerWaalsContact O-N 3.09Å; E314-K317 IonicContact OE1-NZ 3.02Å; E314-K317 PolarHBondContact OE1-NZ 3.44Å; E314-K317 IonicContact OE2-NZ 2.92Å; E314-K317 PolarHBondContact OE2-NZ 3.45Å
315	E	72.4	Confident	64.2	Low	74 Å²	74	80 Å²	80	35%	0.346	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-68.7	-15.5	177.1	-66.7	166.8	-160.9	0	0	113.8	L206 L313 K318	L206-E315 WeakPolarHBondContact CA-OE2 3.21Å; L206-E315 HydrophobicContact CD1-CB 3.39Å; L313-E315 PolarHBondContact O-N 3.25Å; E315-K318 WeakPolarHBondContact O-CB 3.37Å
316	L	71.1	Confident	61.7	Low	5 Å²	5	83.4 Å²	83.4	3%	0.026	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-84.6	-22.1	171.1	-72.2	171.1	0	0	0	112.6	L206 F243 F274 E277 L281 F306 I310 L313 E314 K318	L206-L316 HydrophobicContact CD1-CD2 4.1Å; L206-L316 HydrophobicContact CD1-CG 4.11Å; L206-L316 HydrophobicContact CD2-CD2 3.64Å; L206-L316 HydrophobicContact CD2-CG 4.35Å; L206-L316 HydrophobicContact CG-CD2 4.48Å; F243-L316 HydrophobicContact CE2-CD2 3.89Å; F243-L316 HydrophobicContact CZ-CD2 4.15Å; F274-L316 HydrophobicContact CE2-CD2 4.17Å; E277-L316 HydrophobicContact CB-CD2 4.1Å; E277-L316 HydrophobicContact CG-CD2 4.47Å; L281-L316 HydrophobicContact CD1-CB 4.03Å; F306-L316 HydrophobicContact CE1-CD1 4.43Å; F306-L316 HydrophobicContact CE2-CD1 3.67Å; F306-L316 HydrophobicContact CE2-CD2 3.93Å; F306-L316 HydrophobicContact CE2-CG 4.45Å; F306-L316 HydrophobicContact CZ-CD1 3.56Å; F306-L316 HydrophobicContact CZ-CD2 4.19Å; F306-L316 HydrophobicContact CZ-CG 4.4Å; I310-L316 HydrophobicContact CB-CD1 4.11Å; I310-L316 HydrophobicContact CD1-CD1 4.34Å; I310-L316 HydrophobicContact CG1-CD1 4.14Å; I310-L316 WeakPolarHBondContact O-CD1 3.29Å; L313-L316 HydrophobicContact CB-CD1 4.09Å; L313-L316 HydrophobicContact CB-CG 4.11Å; L313-L316 WeakPolarHBondContact O-CB 3.31Å; L313-L316 PolarHBondContact O-N 3.23Å; E314-L316 PolarHBondContact O-N 3.4Å; L316-K318 PolarHBondContact O-N 2.83Å
317	K	62	Low	59	Low	122 Å²	122	88.8 Å²	88.8	53%	0.53	46%	0.455	S	S	.	.	S	Bend	trans	-78.8	28.7	168.9	-56.3	176.8	-172.3	161	0	110.2	E314 D319	E314-K317 WeakPolarHBondContact O-CB 3.35Å; E314-K317 PolarHBondContact O-N 2.9Å; E314-K317 VanDerWaalsContact O-N 3.09Å; E314-K317 IonicContact OE1-NZ 3.02Å; E314-K317 PolarHBondContact OE1-NZ 3.44Å; E314-K317 IonicContact OE2-NZ 2.92Å; E314-K317 PolarHBondContact OE2-NZ 3.45Å; K317-D319 PolarHBondContact O-N 2.89Å
318	K	55.9	Low	56.3	Low	133 Å²	133	92.4 Å²	92.4	58%	0.578	47%	0.469	S	S	*	.			trans	-63.1	109.5	-175.3	-158.9	176.2	-174.5	179.5	0	107.9	E315 L316 Y320	E315-K318 WeakPolarHBondContact O-CB 3.37Å; L316-K318 PolarHBondContact O-N 2.83Å; K318-Y320 PolarHBondContact O-N 3.36Å
319	D	48.7	Very low	53.8	Low	60 Å²	60	102.7 Å²	102.7	32%	0.321	51%	0.507	S	S	.	.			trans	-58.6	125.4	160.7	-89	-48	0	0	0	112.7	K317 G321 D322 E323	K317-D319 PolarHBondContact O-N 2.89Å; D319-G321 PolarHBondContact O-N 2.77Å; D319-D322 VanDerWaalsContact CB-N 3.26Å; D319-D322 WeakPolarHBondContact OD1-CA 3.38Å; D319-D322 WeakPolarHBondContact OD1-CB 3.4Å; D319-D322 PolarHBondContact OD1-N 2.88Å; D319-D322 VanDerWaalsContact OD1-O 3.11Å; D319-D322 WeakPolarHBondContact OD2-CA 3.4Å; D319-D322 PolarHBondContact OD2-N 3.28Å; D319-E323 PolarHBondContact OD2-N 2.89Å
320	Y	54.7	Low	51.1	Low	112 Å²	112	109.6 Å²	109.6	44%	0.439	55%	0.549	S	S	.	.	S	Bend	trans	-74.1	-0.5	152.9	-54.8	-59.8	0	0	0	111.5	K318	K318-Y320 PolarHBondContact O-N 3.36Å
321	G	42.2	Very low	48.6	Very low	62 Å²	62	112.9 Å²	112.9	64%	0.639	58%	0.583	S	S	*	*	S	Bend	trans	173	-4.1	171.5	0	0	0	0	0	119.6	D319	D319-G321 PolarHBondContact O-N 2.77Å
322	D	39.6	Very low	46.3	Very low	120 Å²	120	118.5 Å²	118.5	64%	0.642	62%	0.616	S	S	*	*	S	Bend	trans	-113.3	70.2	-162.2	-39.9	-46.1	0	0	0	116.5	D319	D319-D322 VanDerWaalsContact CB-N 3.26Å; D319-D322 WeakPolarHBondContact OD1-CA 3.38Å; D319-D322 WeakPolarHBondContact OD1-CB 3.4Å; D319-D322 PolarHBondContact OD1-N 2.88Å; D319-D322 VanDerWaalsContact OD1-O 3.11Å; D319-D322 WeakPolarHBondContact OD2-CA 3.4Å; D319-D322 PolarHBondContact OD2-N 3.28Å
323	E	38.1	Very low	43.8	Very low	165 Å²	165	119.3 Å²	119.3	77%	0.771	64%	0.64	S	S	*	*			trans	91.3	79.3	152.1	-43.6	176	162.7	0	0	119.8	D319	D319-E323 PolarHBondContact OD2-N 2.89Å
324	K	34.6	Very low	41.6	Very low	186 Å²	186	126.8 Å²	126.8	81%	0.809	67%	0.672	S	S	*	*				37.4	105.3	110.6	-59.8	170	-179.6	166.8	0	117.3
325	R	32.3	Very low	39.6	Very low	251 Å²	251	126 Å²	126	95%	0.947	69%	0.685	S	S	*	*			trans	137.6	110.2	135.6	-72.7	153.7	-178.4	-174.5	1.4	115.8
326	G	29.2	Very low	37.8	Very low	71 Å²	71	129.2 Å²	129.2	73%	0.732	71%	0.71	S	S	*	*			trans	-105.5	173.2	177.8	0	0	0	0	0	117.4
327	A	27.7	Very low	36.3	Very low	112 Å²	112	137.6 Å²	137.6	93%	0.926	75%	0.746	S	S	*	*			trans	175.9	151.1	145.3	0	0	0	0	0	114.2
328	R	26.2	Very low	35.4	Very low	220 Å²	220	137 Å²	137	83%	0.83	75%	0.753	S	S	*	*			trans	-128.3	164.1	178.9	-158.1	-178.9	-172.2	-173.6	6.3	112.3
329	R	25.6	Very low	35	Very low	243 Å²	243	138.5 Å²	138.5	92%	0.917	76%	0.762	S	S	*	*			trans	-136	159.2	173.9	-83.4	-172.6	178.8	178.6	0.8	114.6
330	V	25.7	Very low	35.3	Very low	148 Å²	148	140.2 Å²	140.2	90%	0.897	77%	0.771	S	S	*	*			trans	-106.1	149.6	-172.6	-179.3	0	0	0	0	111.4
331	G	33.1	Very low	35.7	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	77%	0.771	S	S	*	*			trans	-96	-175.3	177.8	0	0	0	0	0	115.6
332	P	28.1	Very low	36.7	Very low	139 Å²	139	144.9 Å²	144.9	90%	0.903	78%	0.777	S	S	*	*			trans	-127.4	167.6	177.8	31.8	-12	0	0	0	116.4
333	G	26	Very low	38.1	Very low	82 Å²	82	143.7 Å²	143.7	85%	0.845	77%	0.768	S	S	*	*			trans	-95.3	-161.3	-167.8	0	0	0	0	0	119
334	K	29.3	Very low	40.2	Very low	170 Å²	170	136.6 Å²	136.6	74%	0.739	73%	0.734	S	S	*	*			trans	-119.9	166.9	-167.3	-75.1	-175.6	173.4	-174.8	0	113.9
335	A	29.8	Very low	42.2	Very low	102 Å²	102	133.6 Å²	133.6	84%	0.843	73%	0.726	S	S	*	*			trans	-120.8	162.8	175.4	0	0	0	0	0	114.5
336	T	34	Very low	44.6	Very low	141 Å²	141	129.4 Å²	129.4	87%	0.865	72%	0.717	S	S	*	*			trans	-115.5	166.7	-167.4	41.2	0	0	0	0	114.7
337	K	38.9	Very low	47.4	Very low	182 Å²	182	126.6 Å²	126.6	79%	0.791	69%	0.685	S	S	*	*			trans	-143.1	123.3	-179.4	-158	-180	-173	-177.1	0	112.1
338	V	43.3	Very low	50.5	Low	109 Å²	109	126.8 Å²	126.8	66%	0.661	67%	0.667	S	S	*	*			trans	-103.9	-8.6	-159.4	172.2	0	0	0	0	115.9
339	E	48.5	Very low	53.6	Low	165 Å²	165	119.1 Å²	119.1	77%	0.771	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-24.1	-164.8	-72.8	167.2	149.2	0	0	117.1	E341	E339-E341 PolarHBondContact O-N 2.88Å
340	L	55.3	Low	56.8	Low	96 Å²	96	111 Å²	111	50%	0.503	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	-10.1	-177.8	-81.2	157.7	0	0	0	114.1	R415	L340-R415 VanDerWaalsContact CD1-NH1 3.3Å
341	E	61.6	Low	60	Low	96 Å²	96	106.6 Å²	106.6	45%	0.449	59%	0.592	S	S	.	*	H	α-helix	trans	-81.2	-24.5	-169.2	-67.3	178.6	166	0	0	113.2	E339 I345	E339-E341 PolarHBondContact O-N 2.88Å; E341-I345 WeakPolarHBondContact O-CD1 3.48Å; E341-I345 WeakPolarHBondContact O-CG1 3.33Å
342	K	63.3	Low	62.9	Low	176 Å²	176	104.3 Å²	104.3	77%	0.765	56%	0.563	S	S	*	*	H	α-helix	trans	-74.8	-45.7	-175.9	-72.1	-174.7	178	-179.5	0	114.2	M344 I345	K342-M344 VanDerWaalsContact C-N 3.26Å; K342-M344 PolarHBondContact O-N 2.8Å; K342-I345 PolarHBondContact O-N 2.81Å
343	E	70.3	Confident	66.1	Low	95 Å²	95	105.4 Å²	105.4	44%	0.444	55%	0.549	S	S	.	.	H	α-helix	trans	-63.9	-33.1	-178.2	-172.5	-179.6	171.1	0	0	112.2	I345 K377	E343-I345 VanDerWaalsContact C-N 3.32Å; E343-I345 PolarHBondContact O-N 2.88Å; E343-K377 WeakPolarHBondContact OE1-CD 3.49Å; E343-K377 IonicContact OE1-NZ 2.71Å; E343-K377 PolarHBondContact OE1-NZ 3.47Å; E343-K377 IonicContact OE2-NZ 3.3Å; E343-K377 PolarHBondContact OE2-NZ 3.5Å
344	M	81.3	Confident	69.3	Low	15 Å²	15	104.2 Å²	104.2	7%	0.074	53%	0.528	C	S	.	.	H	α-helix	trans	-72.1	-24.9	-178.2	-64.2	-62.6	102.6	0	0	112.9	K342 E346 Y379 Y417 K418	K342-M344 VanDerWaalsContact C-N 3.26Å; K342-M344 PolarHBondContact O-N 2.8Å; M344-E346 PolarHBondContact O-N 3.48Å; M344-Y379 HydrophobicContact CE-CE1 4.5Å; M344-Y379 VanDerWaalsContact CE-OH 3.31Å; M344-Y379 WeakPolarHBondContact CE-OH 3.47Å; M344-Y379 HydrophobicContact SD-CE1 4.48Å; M344-Y417 HydrophobicContact CG-CD1 4.12Å; M344-Y417 HydrophobicContact SD-CD1 3.98Å; M344-Y417 HydrophobicContact SD-CG 3.97Å; M344-K418 WeakPolarHBondContact O-CD 3.1Å; M344-K418 PolarHBondContact O-NZ 3.21Å; M344-K418 VanDerWaalsContact O-NZ 3.12Å
345	I	77.2	Confident	72.3	Confident	123 Å²	123	98.9 Å²	98.9	63%	0.631	51%	0.509	S	S	*	.	H	α-helix	trans	-64.6	-41.7	-177.8	-70.6	164.9	0	0	0	111.5	E341 K342 E343 K418	E341-I345 WeakPolarHBondContact O-CD1 3.48Å; E341-I345 WeakPolarHBondContact O-CG1 3.33Å; K342-I345 PolarHBondContact O-N 2.81Å; E343-I345 VanDerWaalsContact C-N 3.32Å; E343-I345 PolarHBondContact O-N 2.88Å; I345-K418 PolarHBondContact O-NZ 2.93Å
346	E	82.2	Confident	75.3	Confident	164 Å²	164	95.4 Å²	95.4	77%	0.766	48%	0.481	S	S	*	.	H	α-helix	trans	-87.7	-8.7	-174.3	-62.9	-178.9	178	0	0	114.3	M344 E348	M344-E346 PolarHBondContact O-N 3.48Å; E346-E348 PolarHBondContact O-N 3.43Å
347	L	88.9	Confident	78.1	Confident	12 Å²	12	89.5 Å²	89.5	6%	0.063	44%	0.444	C	S	.	.			trans	-71	125	-178.7	-172.6	67.6	0	0	0	110.6	H351 L352 V371 K418 F420 L429	L347-H351 HydrophobicContact CD1-CB 3.83Å; L347-L352 HydrophobicContact CD1-CD2 4.32Å; L347-L352 HydrophobicContact CD2-CD2 4.27Å; L347-V371 HydrophobicContact CD1-CG1 4.24Å; L347-V371 HydrophobicContact CD1-CG2 4.17Å; L347-K418 WeakPolarHBondContact O-CE 3.26Å; L347-K418 PolarHBondContact O-NZ 2.52Å; L347-F420 WeakPolarHBondContact O-CE1 3.13Å; L347-L429 HydrophobicContact CD2-CD2 3.45Å; L347-L429 VanDerWaalsContact CD2-CD2 3.45Å
348	E	91.8	Very high	80.5	Confident	116 Å²	116	81.4 Å²	81.4	54%	0.542	41%	0.41	S	S	.	.			trans	-108.1	159.1	173.7	-66.3	-175.3	179.3	0	0	110	E346 S350 H351	E346-E348 PolarHBondContact O-N 3.43Å; E348-S350 WeakPolarHBondContact CB-OG 3.21Å; E348-S350 PolarHBondContact O-N 2.97Å; E348-S350 PolarHBondContact OE2-OG 3.1Å; E348-H351 PolarHBondContact N-ND1 3.02Å; E348-H351 WeakPolarHBondContact O-CB 3.4Å; E348-H351 PolarHBondContact O-N 2.75Å
349	I	91.3	Very high	82.6	Confident	59 Å²	59	76.8 Å²	76.8	30%	0.303	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-60.7	-31.1	177.9	-166	168	0	0	0	112.5	H351 L352 F420 Y427	I349-H351 PolarHBondContact O-N 2.85Å; I349-L352 PolarHBondContact O-N 3.18Å; I349-L352 VanDerWaalsContact O-N 3.12Å; I349-F420 HydrophobicContact CB-CB 4.29Å; I349-F420 HydrophobicContact CB-CD1 4.18Å; I349-F420 HydrophobicContact CB-CD2 4.35Å; I349-F420 HydrophobicContact CB-CG 4.04Å; I349-F420 HydrophobicContact CD1-CB 4.26Å; I349-Y427 HydrophobicContact CD1-CD1 3.93Å; I349-Y427 HydrophobicContact CD1-CD2 3.51Å; I349-Y427 HydrophobicContact CD1-CE1 3.82Å; I349-Y427 HydrophobicContact CD1-CE2 3.37Å; I349-Y427 HydrophobicContact CD1-CG 3.78Å
350	S	92.9	Very high	84.3	Confident	71 Å²	71	72.8 Å²	72.8	50%	0.497	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-63.3	-20.1	175	59.2	0	0	0	0	113.5	E348 L352 I372	E348-S350 WeakPolarHBondContact CB-OG 3.21Å; E348-S350 PolarHBondContact O-N 2.97Å; E348-S350 PolarHBondContact OE2-OG 3.1Å; S350-L352 VanDerWaalsContact C-N 3.31Å; S350-I372 WeakPolarHBondContact O-CD1 3.33Å
351	H	93.5	Very high	85.2	Confident	57 Å²	57	70.5 Å²	70.5	26%	0.264	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-85.7	-1.7	177.5	-59	153.5	0	0	0	113.2	L347 E348 I349 I372	L347-H351 HydrophobicContact CD1-CB 3.83Å; E348-H351 PolarHBondContact N-ND1 3.02Å; E348-H351 WeakPolarHBondContact O-CB 3.4Å; E348-H351 PolarHBondContact O-N 2.75Å; I349-H351 PolarHBondContact O-N 2.85Å; H351-I372 WeakPolarHBondContact O-CG1 3.48Å; H351-I372 PolarHBondContact O-N 2.94Å
352	L	94.4	Very high	85.6	Confident	21 Å²	21	69 Å²	69	11%	0.11	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.8	-177.8	-62.2	173.6	0	0	0	110.7	L347 I349 S350 V369 F370 V371 L381 F420 L429	L347-L352 HydrophobicContact CD1-CD2 4.32Å; L347-L352 HydrophobicContact CD2-CD2 4.27Å; I349-L352 PolarHBondContact O-N 3.18Å; I349-L352 VanDerWaalsContact O-N 3.12Å; S350-L352 VanDerWaalsContact C-N 3.31Å; L352-V369 HydrophobicContact CB-CB 4.29Å; L352-V369 HydrophobicContact CB-CG2 4.41Å; L352-V369 HydrophobicContact CD1-CG2 4.26Å; L352-V369 HydrophobicContact CD2-CG2 4.05Å; L352-V369 HydrophobicContact CG-CG2 4.48Å; L352-F370 WeakPolarHBondContact CA-O 3.43Å; L352-V371 HydrophobicContact CD2-CG2 4.08Å; L352-L381 HydrophobicContact CD1-CD1 4.46Å; L352-F420 HydrophobicContact CD1-CE2 3.85Å; L352-F420 HydrophobicContact CD1-CZ 4.15Å; L352-L429 HydrophobicContact CD1-CD1 3.71Å
353	R	94.9	Very high	86.1	Confident	161 Å²	161	63.4 Å²	63.4	61%	0.608	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	131	172.9	-168.7	177.9	-165.5	174.4	1.8	110.4	V369 F370 I372	R353-V369 CarbonylContact O-C 3.54Å; R353-V369 WeakPolarHBondContact O-CA 3.2Å; R353-F370 HydrophobicContact CB-CD1 4.26Å; R353-F370 HydrophobicContact CB-CE1 3.79Å; R353-F370 HydrophobicContact CB-CE2 4.12Å; R353-F370 HydrophobicContact CB-CZ 3.74Å; R353-F370 HydrophobicContact CG-CE1 4.03Å; R353-F370 HydrophobicContact CG-CZ 4.05Å; R353-F370 PolarHBondContact N-O 3.29Å; R353-F370 WeakPolarHBondContact O-CD1 3.43Å; R353-F370 PolarHBondContact O-N 3.4Å; R353-I372 HydrophobicContact CB-CG1 4.05Å
354	S	93.3	Very high	86.7	Confident	57 Å²	57	59.7 Å²	59.7	40%	0.399	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.1	176.3	-171	0	0	0	0	112.1	E367	S354-E367 WeakPolarHBondContact CB-OE2 3.23Å; S354-E367 PolarHBondContact OG-OE2 3.39Å
355	V	92	Very high	87.1	Confident	58 Å²	58	60.1 Å²	60.1	35%	0.352	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-59.1	174.7	-179.2	0	0	0	0	109.5	L368 F370	V355-L368 HydrophobicContact CB-CB 4.26Å; V355-L368 HydrophobicContact CB-CD2 4.29Å; V355-L368 HydrophobicContact CB-CG 4.24Å; V355-L368 WeakPolarHBondContact CB-O 3.19Å; V355-L368 HydrophobicContact CG1-CD2 4.31Å; V355-L368 HydrophobicContact CG2-CG 4.36Å; V355-L368 PolarHBondContact N-O 3.09Å; V355-F370 HydrophobicContact CG2-CD1 3.56Å; V355-F370 HydrophobicContact CG2-CE1 4.18Å
356	A	92.2	Very high	87.9	Confident	29 Å²	29	56.1 Å²	56.1	24%	0.24	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	160.9	-174.3	0	0	0	0	0	110.7	E367 L368 V639	A356-E367 CarbonylContact O-C 3.5Å; A356-E367 WeakPolarHBondContact O-CA 3.39Å; A356-L368 PolarHBondContact O-N 3.49Å; A356-V639 HydrophobicContact CB-CG1 4.06Å; A356-V639 HydrophobicContact CB-CG2 4.02Å
357	T	92.3	Very high	88.5	Confident	17 Å²	17	50.8 Å²	50.8	10%	0.104	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124	173.4	-60.6	0	0	0	0	110.6	G359 V360 R365 V366 Y645	T357-G359 WeakPolarHBondContact CG2-O 3.27Å; T357-V360 HydrophobicContact CG2-CG2 4.1Å; T357-R365 PolarHBondContact OG1-NH2 3.03Å; T357-V366 CarbonylContact C-O 3.48Å; T357-Y645 HydrophobicContact CG2-CD2 4.26Å; T357-Y645 HydrophobicContact CG2-CG 4.3Å
358	L	90.9	Very high	88.8	Confident	12 Å²	12	50.2 Å²	50.2	6%	0.063	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-30	176.7	-61.6	177.3	0	0	0	112.1	V366 L368 A380 V639 F642 Y645	L358-V366 HydrophobicContact CB-CG1 4.3Å; L358-V366 HydrophobicContact CD1-CG1 4.34Å; L358-V366 PolarHBondContact N-O 3.27Å; L358-L368 HydrophobicContact CD1-CB 3.99Å; L358-L368 HydrophobicContact CD1-CD1 4.37Å; L358-L368 HydrophobicContact CD2-CB 3.97Å; L358-L368 HydrophobicContact CG-CB 3.9Å; L358-A380 HydrophobicContact CD1-CB 4.02Å; L358-V639 HydrophobicContact CD2-CB 4.46Å; L358-V639 HydrophobicContact CD2-CG1 3.71Å; L358-F642 HydrophobicContact CB-CD1 4.26Å; L358-F642 HydrophobicContact CB-CE1 4.26Å; L358-F642 HydrophobicContact CD2-CD1 4.24Å; L358-F642 HydrophobicContact CD2-CD2 3.81Å; L358-F642 HydrophobicContact CD2-CE1 4.24Å; L358-F642 HydrophobicContact CD2-CE2 3.81Å; L358-F642 HydrophobicContact CD2-CG 4.02Å; L358-F642 HydrophobicContact CD2-CZ 4.01Å; L358-Y645 WeakPolarHBondContact O-CE2 3.28Å
359	G	86.4	Confident	89	Confident	12 Å²	12	44.8 Å²	44.8	12%	0.124	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	160.1	-178.8	0	0	0	0	0	113.6	T357 V366	T357-G359 WeakPolarHBondContact CG2-O 3.27Å; G359-V366 PolarHBondContact N-O 2.94Å; G359-V366 PolarHBondContact O-N 3.35Å
360	V	84.8	Confident	89.3	Confident	81 Å²	81	43.8 Å²	43.8	49%	0.491	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.9	176.3	-175.9	0	0	0	0	108.1	T357 R365 Y645	T357-V360 HydrophobicContact CG2-CG2 4.1Å; V360-R365 HydrophobicContact CG1-CG 4.25Å; V360-R365 HydrophobicContact CG2-CG 4.2Å; V360-Y645 HydrophobicContact CB-CD1 4.42Å; V360-Y645 HydrophobicContact CG2-CD1 3.68Å; V360-Y645 HydrophobicContact CG2-CE1 4.26Å; V360-Y645 HydrophobicContact CG2-CG 3.98Å
361	G	73.7	Confident	89.3	Confident	48 Å²	48	40.9 Å²	40.9	50%	0.495	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	180	-179.2	0	0	0	0	0	112.3	F363 G364	G361-F363 VanDerWaalsContact C-N 3.28Å; G361-F363 PolarHBondContact O-N 3.17Å; G361-G364 PolarHBondContact N-O 3Å; G361-G364 PolarHBondContact O-N 2.96Å; G361-G364 VanDerWaalsContact O-O 3.08Å
362	G	70	Confident	89.3	Confident	66 Å²	66	42.6 Å²	42.6	68%	0.68	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.1	-175.3	0	0	0	0	0	114.3	H388	G362-H388 PolarHBondContact O-CD2 3.03Å; G362-H388 PolarHBondContact O-NE2 2.89Å
363	F	74	Confident	89.2	Confident	58 Å²	58	50 Å²	50	25%	0.254	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-7.7	-175.9	-60	-78.2	0	0	0	115.2	G361 M384 K385 H388 I389 Q394	G361-F363 VanDerWaalsContact C-N 3.28Å; G361-F363 PolarHBondContact O-N 3.17Å; F363-M384 HydrophobicContact CB-CB 4.24Å; F363-M384 HydrophobicContact CB-CG 4.16Å; F363-M384 WeakPolarHBondContact O-CA 3.08Å; F363-K385 PolarHBondContact O-N 3.07Å; F363-H388 AromaticContact CD1-CD2 3.62Å; F363-I389 HydrophobicContact CD1-CG1 4.11Å; F363-Q394 HydrophobicContact CE1-CB 3.83Å; F363-Q394 HydrophobicContact CE1-CG 3.66Å; F363-Q394 HydrophobicContact CZ-CB 4Å; F363-Q394 HydrophobicContact CZ-CG 3.64Å
364	G	82.4	Confident	89.1	Confident	17 Å²	17	44.6 Å²	44.6	18%	0.175	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.7	-146.2	-173.8	0	0	0	0	0	113.6	G361 A383	G361-G364 PolarHBondContact N-O 3Å; G361-G364 PolarHBondContact O-N 2.96Å; G361-G364 VanDerWaalsContact O-O 3.08Å; G364-A383 WeakPolarHBondContact CA-O 3.39Å
365	R	91.2	Very high	88.9	Confident	24 Å²	24	45.3 Å²	45.3	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.9	-167	-62.8	176.2	64.7	129.5	-2.9	111.4	T357 V360 K382 A383 P646 D648	T357-R365 PolarHBondContact OG1-NH2 3.03Å; V360-R365 HydrophobicContact CG1-CG 4.25Å; V360-R365 HydrophobicContact CG2-CG 4.2Å; R365-K382 CarbonylContact O-C 3.47Å; R365-K382 WeakPolarHBondContact O-CA 3.5Å; R365-A383 PolarHBondContact N-O 3.05Å; R365-A383 PolarHBondContact O-N 3.36Å; R365-P646 VanDerWaalsContact CZ-O 3.24Å; R365-P646 PolarHBondContact NH1-O 2.99Å; R365-P646 PolarHBondContact NH2-O 3.04Å; R365-D648 WeakPolarHBondContact CD-OD2 3.45Å; R365-D648 VanDerWaalsContact NH1-CB 3.32Å; R365-D648 VanDerWaalsContact NH1-N 3.11Å
366	V	93.1	Very high	88.8	Confident	38 Å²	38	47.1 Å²	47.1	23%	0.23	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.9	172.2	-175.4	0	0	0	0	108	T357 L358 G359 A380 L381 K382	T357-V366 CarbonylContact C-O 3.48Å; L358-V366 HydrophobicContact CB-CG1 4.3Å; L358-V366 HydrophobicContact CD1-CG1 4.34Å; L358-V366 PolarHBondContact N-O 3.27Å; G359-V366 PolarHBondContact N-O 2.94Å; G359-V366 PolarHBondContact O-N 3.35Å; V366-A380 HydrophobicContact CG1-CB 3.88Å; V366-L381 WeakPolarHBondContact CA-O 3.26Å; V366-K382 HydrophobicContact CG2-CB 4.16Å; V366-K382 HydrophobicContact CG2-CG 4.11Å
367	E	94.5	Very high	88.7	Confident	52 Å²	52	48.8 Å²	48.8	24%	0.243	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138	179.1	-57.7	-156.7	157.6	0	0	111.2	S354 A356 V369 A380 L381	S354-E367 WeakPolarHBondContact CB-OE2 3.23Å; S354-E367 PolarHBondContact OG-OE2 3.39Å; A356-E367 CarbonylContact O-C 3.5Å; A356-E367 WeakPolarHBondContact O-CA 3.39Å; E367-V369 HydrophobicContact CB-CG1 4.39Å; E367-V369 PolarHBondContact O-N 2.84Å; E367-A380 CarbonylContact O-C 3.56Å; E367-A380 WeakPolarHBondContact O-CA 3.28Å; E367-L381 PolarHBondContact N-O 3Å; E367-L381 PolarHBondContact O-N 3.44Å
368	L	95.8	Very high	88.8	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	123.6	164.2	-176	62.4	0	0	0	108.1	V355 A356 L358 A432 L434 V639	V355-L368 HydrophobicContact CB-CB 4.26Å; V355-L368 HydrophobicContact CB-CD2 4.29Å; V355-L368 HydrophobicContact CB-CG 4.24Å; V355-L368 WeakPolarHBondContact CB-O 3.19Å; V355-L368 HydrophobicContact CG1-CD2 4.31Å; V355-L368 HydrophobicContact CG2-CG 4.36Å; V355-L368 PolarHBondContact N-O 3.09Å; A356-L368 PolarHBondContact O-N 3.49Å; L358-L368 HydrophobicContact CD1-CB 3.99Å; L358-L368 HydrophobicContact CD1-CD1 4.37Å; L358-L368 HydrophobicContact CD2-CB 3.97Å; L358-L368 HydrophobicContact CG-CB 3.9Å; L368-A432 HydrophobicContact CD1-CB 4.02Å; L368-L434 HydrophobicContact CD1-CD2 3.84Å; L368-L434 HydrophobicContact CD2-CD2 4.07Å; L368-V639 HydrophobicContact CB-CG1 4.42Å; L368-V639 HydrophobicContact CD2-CG1 3.45Å; L368-V639 VanDerWaalsContact CD2-CG1 3.45Å
369	V	96.5	Very high	89	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.8	177.8	-60.3	0	0	0	0	110.4	L352 R353 E367 T378 Y379 L381 L429	L352-V369 HydrophobicContact CB-CB 4.29Å; L352-V369 HydrophobicContact CB-CG2 4.41Å; L352-V369 HydrophobicContact CD1-CG2 4.26Å; L352-V369 HydrophobicContact CD2-CG2 4.05Å; L352-V369 HydrophobicContact CG-CG2 4.48Å; R353-V369 CarbonylContact O-C 3.54Å; R353-V369 WeakPolarHBondContact O-CA 3.2Å; E367-V369 HydrophobicContact CB-CG1 4.39Å; E367-V369 PolarHBondContact O-N 2.84Å; V369-T378 CarbonylContact O-C 3.52Å; V369-T378 WeakPolarHBondContact O-CA 3.2Å; V369-Y379 WeakPolarHBondContact CG2-O 3.47Å; V369-Y379 PolarHBondContact N-O 2.76Å; V369-Y379 PolarHBondContact O-N 3.43Å; V369-L381 HydrophobicContact CG1-CB 3.75Å; V369-L381 HydrophobicContact CG1-CD2 4.01Å; V369-L381 HydrophobicContact CG2-CB 4.02Å; V369-L429 HydrophobicContact CG2-CD1 4.02Å
370	F	95.8	Very high	89.5	Confident	37 Å²	37	49.3 Å²	49.3	16%	0.162	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	155.1	168.4	69.7	-94.1	0	0	0	111.4	L352 R353 V355 P375 K377 T378	L352-F370 WeakPolarHBondContact CA-O 3.43Å; R353-F370 HydrophobicContact CB-CD1 4.26Å; R353-F370 HydrophobicContact CB-CE1 3.79Å; R353-F370 HydrophobicContact CB-CE2 4.12Å; R353-F370 HydrophobicContact CB-CZ 3.74Å; R353-F370 HydrophobicContact CG-CE1 4.03Å; R353-F370 HydrophobicContact CG-CZ 4.05Å; R353-F370 PolarHBondContact N-O 3.29Å; R353-F370 WeakPolarHBondContact O-CD1 3.43Å; R353-F370 PolarHBondContact O-N 3.4Å; V355-F370 HydrophobicContact CG2-CD1 3.56Å; V355-F370 HydrophobicContact CG2-CE1 4.18Å; F370-P375 HydrophobicContact CD2-CB 3.85Å; F370-P375 HydrophobicContact CD2-CG 4.12Å; F370-P375 HydrophobicContact CE2-CB 4.17Å; F370-P375 HydrophobicContact CE2-CG 4.11Å; F370-P375 HydrophobicContact CG-CB 4.42Å; F370-K377 WeakPolarHBondContact CA-O 3.48Å; F370-T378 HydrophobicContact CB-CG2 3.9Å
371	V	94.3	Very high	90	Very high	11 Å²	11	46.1 Å²	46.1	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	121.9	173	-179.7	0	0	0	0	108.9	L347 L352 K373 D374 K377 Y379	L347-V371 HydrophobicContact CD1-CG1 4.24Å; L347-V371 HydrophobicContact CD1-CG2 4.17Å; L352-V371 HydrophobicContact CD2-CG2 4.08Å; V371-K373 HydrophobicContact CG1-CB 4.3Å; V371-K373 PolarHBondContact O-N 3.03Å; V371-K373 VanDerWaalsContact O-N 3.09Å; V371-D374 CarbonylContact O-C 2.95Å; V371-D374 WeakPolarHBondContact O-CA 3.38Å; V371-D374 PolarHBondContact O-N 3.04Å; V371-K377 HydrophobicContact CB-CB 4.41Å; V371-K377 HydrophobicContact CG2-CB 4.11Å; V371-K377 PolarHBondContact N-O 3.2Å; V371-Y379 HydrophobicContact CG2-CD2 4.2Å; V371-Y379 HydrophobicContact CG2-CE2 3.64Å
372	I	93.9	Very high	91.1	Very high	92 Å²	92	45.3 Å²	45.3	47%	0.472	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-36.5	-175.3	-67.2	169.2	0	0	0	112.2	S350 H351 R353 D374	S350-I372 WeakPolarHBondContact O-CD1 3.33Å; H351-I372 WeakPolarHBondContact O-CG1 3.48Å; H351-I372 PolarHBondContact O-N 2.94Å; R353-I372 HydrophobicContact CB-CG1 4.05Å; I372-D374 VanDerWaalsContact C-N 3.34Å
373	K	92.1	Very high	92.2	Very high	176 Å²	176	43 Å²	43	77%	0.765	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.2	178	-65.8	-177.7	-179.7	175.1	0	113.8	V371	V371-K373 HydrophobicContact CG1-CB 4.3Å; V371-K373 PolarHBondContact O-N 3.03Å; V371-K373 VanDerWaalsContact O-N 3.09Å
374	D	91.1	Very high	93.2	Very high	49 Å²	49	40.3 Å²	40.3	26%	0.262	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	87.5	-179.6	-174.9	-5.1	0	0	0	110	V371 I372 T376 K377	V371-D374 CarbonylContact O-C 2.95Å; V371-D374 WeakPolarHBondContact O-CA 3.38Å; V371-D374 PolarHBondContact O-N 3.04Å; I372-D374 VanDerWaalsContact C-N 3.34Å; D374-T376 PolarHBondContact O-N 2.95Å; D374-T376 WeakPolarHBondContact OD1-CB 3.45Å; D374-T376 PolarHBondContact OD1-N 2.89Å; D374-T376 VanDerWaalsContact OD1-N 3.09Å; D374-T376 PolarHBondContact OD1-OG1 2.87Å; D374-T376 PolarHBondContact OD2-OG1 3.3Å; D374-K377 HydrophobicContact CB-CD 4.35Å; D374-K377 HydrophobicContact CB-CG 4.38Å; D374-K377 PolarHBondContact O-N 3.29Å; D374-K377 WeakPolarHBondContact OD2-CE 3.32Å; D374-K377 WeakPolarHBondContact OD2-CG 3.32Å
375	P	90.7	Very high	93.7	Very high	72 Å²	72	40.9 Å²	40.9	47%	0.468	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	-9.5	-179.6	-24.5	35.1	0	0	0	114.7	F370 K377	F370-P375 HydrophobicContact CD2-CB 3.85Å; F370-P375 HydrophobicContact CD2-CG 4.12Å; F370-P375 HydrophobicContact CE2-CB 4.17Å; F370-P375 HydrophobicContact CE2-CG 4.11Å; F370-P375 HydrophobicContact CG-CB 4.42Å; P375-K377 VanDerWaalsContact C-N 3.29Å
376	T	89.5	Confident	93.9	Very high	96 Å²	96	40 Å²	40	59%	0.589	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	-19.7	173.9	75.7	0	0	0	0	112.5	D374 P636	D374-T376 PolarHBondContact O-N 2.95Å; D374-T376 WeakPolarHBondContact OD1-CB 3.45Å; D374-T376 PolarHBondContact OD1-N 2.89Å; D374-T376 VanDerWaalsContact OD1-N 3.09Å; D374-T376 PolarHBondContact OD1-OG1 2.87Å; D374-T376 PolarHBondContact OD2-OG1 3.3Å; T376-P636 WeakPolarHBondContact O-CB 3.34Å
377	K	90.9	Very high	93.8	Very high	63 Å²	63	41.9 Å²	41.9	27%	0.274	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	104.9	177.8	-67.7	-175.5	-175.2	-177.6	0	110.7	E343 F370 V371 D374 P375 Y379	E343-K377 WeakPolarHBondContact OE1-CD 3.49Å; E343-K377 IonicContact OE1-NZ 2.71Å; E343-K377 PolarHBondContact OE1-NZ 3.47Å; E343-K377 IonicContact OE2-NZ 3.3Å; E343-K377 PolarHBondContact OE2-NZ 3.5Å; F370-K377 WeakPolarHBondContact CA-O 3.48Å; V371-K377 HydrophobicContact CB-CB 4.41Å; V371-K377 HydrophobicContact CG2-CB 4.11Å; V371-K377 PolarHBondContact N-O 3.2Å; D374-K377 HydrophobicContact CB-CD 4.35Å; D374-K377 HydrophobicContact CB-CG 4.38Å; D374-K377 PolarHBondContact O-N 3.29Å; D374-K377 WeakPolarHBondContact OD2-CE 3.32Å; D374-K377 WeakPolarHBondContact OD2-CG 3.32Å; P375-K377 VanDerWaalsContact C-N 3.29Å; K377-Y379 HydrophobicContact CB-CE2 4.12Å
378	T	94	Very high	93.5	Very high	23 Å²	23	41.7 Å²	41.7	14%	0.141	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.4	179.9	52.3	0	0	0	0	113	V369 F370 P636	V369-T378 CarbonylContact O-C 3.52Å; V369-T378 WeakPolarHBondContact O-CA 3.2Å; F370-T378 HydrophobicContact CB-CG2 3.9Å; T378-P636 HydrophobicContact CG2-CB 3.84Å; T378-P636 WeakPolarHBondContact CG2-O 3.4Å; T378-P636 PolarHBondContact OG1-O 2.86Å
379	Y	95.3	Very high	93	Very high	22 Å²	22	41.7 Å²	41.7	9%	0.086	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	161	-177.4	-59.1	-84.5	0	0	0	110.1	M344 V369 V371 K377 Y417 L429 L430	M344-Y379 HydrophobicContact CE-CE1 4.5Å; M344-Y379 VanDerWaalsContact CE-OH 3.31Å; M344-Y379 WeakPolarHBondContact CE-OH 3.47Å; M344-Y379 HydrophobicContact SD-CE1 4.48Å; V369-Y379 WeakPolarHBondContact CG2-O 3.47Å; V369-Y379 PolarHBondContact N-O 2.76Å; V369-Y379 PolarHBondContact O-N 3.43Å; V371-Y379 HydrophobicContact CG2-CD2 4.2Å; V371-Y379 HydrophobicContact CG2-CE2 3.64Å; K377-Y379 HydrophobicContact CB-CE2 4.12Å; Y379-Y417 AromaticContact CD1-CD2 3.82Å; Y379-Y417 HydrophobicContact CD1-CD2 3.82Å; Y379-Y417 AromaticContact CD1-CE2 3.84Å; Y379-Y417 HydrophobicContact CD1-CE2 3.84Å; Y379-Y417 AromaticContact CE1-CD2 3.93Å; Y379-Y417 HydrophobicContact CE1-CD2 3.93Å; Y379-Y417 AromaticContact CE1-CE2 3.84Å; Y379-Y417 HydrophobicContact CE1-CE2 3.84Å; Y379-Y417 HydrophobicContact CE1-CG 4.47Å; Y379-L429 VanDerWaalsContact CB-CD1 3.47Å; Y379-L429 HydrophobicContact CD1-CD2 4.42Å; Y379-L429 HydrophobicContact CD1-CG 4.29Å; Y379-L429 HydrophobicContact CD2-CD1 4.46Å; Y379-L429 HydrophobicContact CG-CD1 3.97Å; Y379-L429 HydrophobicContact CG-CD2 4.31Å; Y379-L429 HydrophobicContact CG-CG 4.1Å; Y379-L430 WeakPolarHBondContact CA-O 3.46Å; Y379-L430 WeakPolarHBondContact CB-O 3.49Å
380	A	95.9	Very high	92.5	Very high	8 Å²	8	43.7 Å²	43.7	7%	0.066	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.4	169.3	0	0	0	0	0	109.2	L358 V366 E367 L430	L358-A380 HydrophobicContact CD1-CB 4.02Å; V366-A380 HydrophobicContact CG1-CB 3.88Å; E367-A380 CarbonylContact O-C 3.56Å; E367-A380 WeakPolarHBondContact O-CA 3.28Å; A380-L430 HydrophobicContact CB-CB 4.19Å; A380-L430 PolarHBondContact N-O 2.98Å; A380-L430 WeakPolarHBondContact O-CA 3.27Å; A380-L430 WeakPolarHBondContact O-CB 3.38Å; A380-L430 PolarHBondContact O-N 2.9Å
381	L	96.4	Very high	91.9	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	105.1	178.7	-172	69.4	0	0	0	109.5	L352 V366 E367 V369 A383 F420 Y427 L429	L352-L381 HydrophobicContact CD1-CD1 4.46Å; V366-L381 WeakPolarHBondContact CA-O 3.26Å; E367-L381 PolarHBondContact N-O 3Å; E367-L381 PolarHBondContact O-N 3.44Å; V369-L381 HydrophobicContact CG1-CB 3.75Å; V369-L381 HydrophobicContact CG1-CD2 4.01Å; V369-L381 HydrophobicContact CG2-CB 4.02Å; L381-A383 PolarHBondContact O-N 2.78Å; L381-F420 HydrophobicContact CD1-CD2 4.16Å; L381-F420 HydrophobicContact CD1-CE2 4.23Å; L381-Y427 HydrophobicContact CD1-CD1 4.3Å; L381-Y427 HydrophobicContact CD2-CD1 4.01Å; L381-Y427 HydrophobicContact CD2-CE1 4.49Å; L381-Y427 HydrophobicContact CG-CD1 4.1Å; L381-L429 HydrophobicContact CD1-CB 4.44Å; L381-L429 HydrophobicContact CD1-CD1 3.99Å
382	K	95	Very high	90.9	Very high	32 Å²	32	45 Å²	45	14%	0.139	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	106.5	172.6	-175	-176.6	-172	-173.9	0	108.2	R365 V366 M384 E401 Y427 M428 L430	R365-K382 CarbonylContact O-C 3.47Å; R365-K382 WeakPolarHBondContact O-CA 3.5Å; V366-K382 HydrophobicContact CG2-CB 4.16Å; V366-K382 HydrophobicContact CG2-CG 4.11Å; K382-M384 HydrophobicContact CD-SD 4.16Å; K382-M384 HydrophobicContact CG-CG 4.14Å; K382-M384 HydrophobicContact CG-SD 4.28Å; K382-E401 VanDerWaalsContact NZ-CD 3.35Å; K382-E401 IonicContact NZ-OE1 2.67Å; K382-E401 PolarHBondContact NZ-OE1 3.22Å; K382-E401 IonicContact NZ-OE2 3.31Å; K382-E401 PolarHBondContact NZ-OE2 2.89Å; K382-Y427 CarbonylContact O-C 3.59Å; K382-Y427 VanDerWaalsContact O-CA 3.31Å; K382-Y427 WeakPolarHBondContact O-CA 3.36Å; K382-M428 HydrophobicContact CB-CB 4.24Å; K382-M428 HydrophobicContact CD-SD 4.2Å; K382-M428 PolarHBondContact N-O 2.91Å; K382-M428 PolarHBondContact O-N 2.83Å; K382-L430 HydrophobicContact CB-CD1 4.1Å
383	A	94.8	Very high	90.3	Very high	16 Å²	16	49.6 Å²	49.6	13%	0.132	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.8	177.1	0	0	0	0	0	109.9	G364 R365 L381 Y425 Y427	G364-A383 WeakPolarHBondContact CA-O 3.39Å; R365-A383 PolarHBondContact N-O 3.05Å; R365-A383 PolarHBondContact O-N 3.36Å; L381-A383 PolarHBondContact O-N 2.78Å; A383-Y425 HydrophobicContact CB-CD1 4.47Å; A383-Y427 HydrophobicContact CB-CD1 3.65Å; A383-Y427 HydrophobicContact CB-CE1 3.64Å
384	M	94	Very high	89.6	Confident	2 Å²	2	42 Å²	42	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.3	-175.7	-57.6	168.2	-76	0	0	111.2	F363 K382 K386 I389 I398 Y425 V426 M428	F363-M384 HydrophobicContact CB-CB 4.24Å; F363-M384 HydrophobicContact CB-CG 4.16Å; F363-M384 WeakPolarHBondContact O-CA 3.08Å; K382-M384 HydrophobicContact CD-SD 4.16Å; K382-M384 HydrophobicContact CG-CG 4.14Å; K382-M384 HydrophobicContact CG-SD 4.28Å; M384-K386 PolarHBondContact O-N 3.35Å; M384-I389 HydrophobicContact CB-CD1 3.94Å; M384-I398 HydrophobicContact CE-CG2 4.24Å; M384-I398 HydrophobicContact SD-CD1 3.76Å; M384-Y425 VanDerWaalsContact O-CA 3.29Å; M384-Y425 WeakPolarHBondContact O-CA 2.99Å; M384-V426 HydrophobicContact CB-CG2 4.14Å; M384-V426 HydrophobicContact CE-CG2 3.91Å; M384-V426 PolarHBondContact N-O 3.2Å; M384-V426 PolarHBondContact O-N 2.89Å; M384-V426 VanDerWaalsContact O-N 3.1Å; M384-M428 HydrophobicContact CE-CE 3.92Å; M384-M428 HydrophobicContact CE-CG 4.01Å; M384-M428 HydrophobicContact CE-SD 3.81Å
385	K	94.1	Very high	89.4	Confident	30 Å²	30	42.1 Å²	42.1	13%	0.13	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	115.2	-174.5	-64.9	179.9	174.8	175.3	0	109.9	F363 K387 H388 I389 Y425 D648 D650 P652	F363-K385 PolarHBondContact O-N 3.07Å; K385-K387 VanDerWaalsContact C-N 3.34Å; K385-K387 PolarHBondContact O-N 3.33Å; K385-H388 HydrophobicContact CB-CB 4.04Å; K385-H388 PolarHBondContact O-N 3.32Å; K385-H388 VanDerWaalsContact O-N 3.14Å; K385-I389 WeakPolarHBondContact O-CG1 3.35Å; K385-I389 PolarHBondContact O-N 3.46Å; K385-I389 VanDerWaalsContact O-N 3.15Å; K385-Y425 HydrophobicContact CB-CE1 4.5Å; K385-Y425 HydrophobicContact CG-CD1 4.13Å; K385-Y425 HydrophobicContact CG-CE1 3.58Å; K385-D648 IonicContact NZ-OD2 3.52Å; K385-D648 PolarHBondContact NZ-OD2 2.88Å; K385-D650 PolarHBondContact NZ-O 3.17Å; K385-D650 IonicContact NZ-OD2 3.43Å; K385-D650 PolarHBondContact NZ-OD2 2.93Å; K385-P652 HydrophobicContact CB-CB 4.3Å; K385-P652 HydrophobicContact CB-CG 4.23Å; K385-P652 HydrophobicContact CD-CB 4.33Å; K385-P652 HydrophobicContact CD-CG 4.33Å; K385-P652 HydrophobicContact CG-CB 4.31Å; K385-P652 HydrophobicContact CG-CG 3.97Å
386	K	94.2	Very high	88.8	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.022	22%	0.222	C	C	.	.	H	α-helix	trans	-55.8	-46.2	-177.6	-72.2	-179.5	173.7	-164.5	0	113	M384 H388 I389 I390 D422 K424 Y425 V426 E655 W659 D660	M384-K386 PolarHBondContact O-N 3.35Å; K386-H388 VanDerWaalsContact C-N 3.28Å; K386-H388 PolarHBondContact O-N 3.41Å; K386-I389 WeakPolarHBondContact O-CB 3.43Å; K386-I389 PolarHBondContact O-N 3.4Å; K386-I389 VanDerWaalsContact O-N 3.13Å; K386-I390 PolarHBondContact O-N 3.43Å; K386-D422 WeakPolarHBondContact CE-O 3.18Å; K386-D422 PolarHBondContact NZ-O 2.9Å; K386-K424 WeakPolarHBondContact CB-O 3.46Å; K386-K424 WeakPolarHBondContact CG-O 3.04Å; K386-K424 PolarHBondContact N-O 3.41Å; K386-Y425 WeakPolarHBondContact CE-O 3.26Å; K386-V426 HydrophobicContact CG-CG1 4.29Å; K386-E655 HydrophobicContact CB-CB 3.63Å; K386-E655 HydrophobicContact CB-CG 4Å; K386-E655 HydrophobicContact CD-CB 3.97Å; K386-E655 PolarHBondContact NZ-O 2.75Å; K386-W659 HydrophobicContact CB-CZ2 4.47Å; K386-W659 HydrophobicContact CG-CZ2 4.26Å; K386-D660 WeakPolarHBondContact CE-OD2 3.25Å; K386-D660 VanDerWaalsContact NZ-CG 3.3Å; K386-D660 IonicContact NZ-OD1 3.06Å; K386-D660 PolarHBondContact NZ-OD1 2.97Å; K386-D660 IonicContact NZ-OD2 2.63Å; K386-D660 PolarHBondContact NZ-OD2 3.28Å
387	K	91	Very high	88.3	Confident	77 Å²	77	43.6 Å²	43.6	34%	0.335	20%	0.201	S	C	.	.	H	α-helix	trans	-56.6	-43.7	179.6	-174.5	64	170.6	73.8	0	111.7	K385 I390 D391 P653	K385-K387 VanDerWaalsContact C-N 3.34Å; K385-K387 PolarHBondContact O-N 3.33Å; K387-I390 PolarHBondContact O-N 3.12Å; K387-D391 IonicContact NZ-OD1 3.55Å; K387-D391 PolarHBondContact NZ-OD1 2.97Å; K387-D391 IonicContact NZ-OD2 3.27Å; K387-D391 PolarHBondContact NZ-OD2 2.96Å; K387-D391 WeakPolarHBondContact O-CB 3.29Å; K387-D391 PolarHBondContact O-N 3.46Å; K387-P653 HydrophobicContact CB-CG 4.02Å; K387-P653 HydrophobicContact CD-CG 4.15Å; K387-P653 HydrophobicContact CG-CG 3.76Å
388	H	87.7	Confident	88.1	Confident	48 Å²	48	40.8 Å²	40.8	22%	0.222	19%	0.189	C	C	.	.	H	α-helix	trans	-66.8	-38	179.2	-172	67.7	0	0	0	112	G362 F363 K385 K386 I390 D391 T392	G362-H388 PolarHBondContact O-CD2 3.03Å; G362-H388 PolarHBondContact O-NE2 2.89Å; F363-H388 AromaticContact CD1-CD2 3.62Å; K385-H388 HydrophobicContact CB-CB 4.04Å; K385-H388 PolarHBondContact O-N 3.32Å; K385-H388 VanDerWaalsContact O-N 3.14Å; K386-H388 VanDerWaalsContact C-N 3.28Å; K386-H388 PolarHBondContact O-N 3.41Å; H388-I390 VanDerWaalsContact C-N 3.35Å; H388-I390 PolarHBondContact O-N 2.8Å; H388-D391 PolarHBondContact O-N 2.92Å; H388-T392 WeakPolarHBondContact O-CB 3.41Å; H388-T392 WeakPolarHBondContact O-CG2 3.31Å; H388-T392 PolarHBondContact O-N 3.21Å; H388-T392 PolarHBondContact O-OG1 2.84Å
389	I	85.4	Confident	87.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-42.1	174.7	-62.9	167.4	0	0	0	111.2	F363 M384 K385 K386 T392 R393 Q394 Q395 I398 V426 W659	F363-I389 HydrophobicContact CD1-CG1 4.11Å; M384-I389 HydrophobicContact CB-CD1 3.94Å; K385-I389 WeakPolarHBondContact O-CG1 3.35Å; K385-I389 PolarHBondContact O-N 3.46Å; K385-I389 VanDerWaalsContact O-N 3.15Å; K386-I389 WeakPolarHBondContact O-CB 3.43Å; K386-I389 PolarHBondContact O-N 3.4Å; K386-I389 VanDerWaalsContact O-N 3.13Å; I389-T392 PolarHBondContact O-OG1 2.99Å; I389-R393 PolarHBondContact O-N 3.14Å; I389-R393 VanDerWaalsContact O-N 3.1Å; I389-Q394 HydrophobicContact CG2-CB 4.23Å; I389-Q394 PolarHBondContact O-N 3.28Å; I389-Q395 HydrophobicContact CG2-CG 4.1Å; I389-I398 HydrophobicContact CD1-CG1 4.19Å; I389-I398 HydrophobicContact CG1-CG1 4.39Å; I389-I398 HydrophobicContact CG2-CG1 4.16Å; I389-V426 HydrophobicContact CD1-CG2 3.76Å; I389-W659 HydrophobicContact CB-CH2 4.27Å; I389-W659 HydrophobicContact CB-CZ2 4.24Å; I389-W659 HydrophobicContact CD1-CH2 3.83Å; I389-W659 HydrophobicContact CD1-CZ2 4.08Å; I389-W659 HydrophobicContact CG2-CH2 3.67Å; I389-W659 HydrophobicContact CG2-CZ2 4.03Å; I389-W659 HydrophobicContact CG2-CZ3 4.2Å
390	I	86.1	Confident	87.1	Confident	46 Å²	46	43 Å²	43	24%	0.236	20%	0.2	C	C	.	.	H	α-helix	trans	-66.7	-48.2	176.7	-66.4	-171.5	0	0	0	111.1	K386 K387 H388 T392 R393 E655	K386-I390 PolarHBondContact O-N 3.43Å; K387-I390 PolarHBondContact O-N 3.12Å; H388-I390 VanDerWaalsContact C-N 3.35Å; H388-I390 PolarHBondContact O-N 2.8Å; I390-T392 PolarHBondContact O-N 3.34Å; I390-R393 PolarHBondContact O-N 3.25Å; I390-E655 HydrophobicContact CD1-CG 3.43Å; I390-E655 VanDerWaalsContact CD1-CG 3.43Å; I390-E655 WeakPolarHBondContact CD1-OE1 3.47Å; I390-E655 HydrophobicContact CG1-CG 4.41Å
391	D	84.3	Confident	86.9	Confident	67 Å²	67	42.8 Å²	42.8	36%	0.358	20%	0.198	S	C	.	.	H	α-helix	trans	-61.7	-32.7	-176.8	-68.9	-16.4	0	0	0	111.8	K387 H388	K387-D391 IonicContact NZ-OD1 3.55Å; K387-D391 PolarHBondContact NZ-OD1 2.97Å; K387-D391 IonicContact NZ-OD2 3.27Å; K387-D391 PolarHBondContact NZ-OD2 2.96Å; K387-D391 WeakPolarHBondContact O-CB 3.29Å; K387-D391 PolarHBondContact O-N 3.46Å; H388-D391 PolarHBondContact O-N 2.92Å
392	T	73.4	Confident	86.7	Confident	9 Å²	9	43.2 Å²	43.2	6%	0.055	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-6	176.7	55.9	0	0	0	0	114.2	D6 K7 H388 I389 I390 Q394	D6-T392 HydrophobicContact CB-CG2 3.69Å; K7-T392 WeakPolarHBondContact CE-O 3.45Å; H388-T392 WeakPolarHBondContact O-CB 3.41Å; H388-T392 WeakPolarHBondContact O-CG2 3.31Å; H388-T392 PolarHBondContact O-N 3.21Å; H388-T392 PolarHBondContact O-OG1 2.84Å; I389-T392 PolarHBondContact O-OG1 2.99Å; I390-T392 PolarHBondContact O-N 3.34Å; T392-Q394 VanDerWaalsContact OG1-CG 3.26Å; T392-Q394 WeakPolarHBondContact OG1-CG 3.28Å
393	R	79.7	Confident	86.3	Confident	188 Å²	188	45.2 Å²	45.2	71%	0.709	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	55	-174.5	-54.5	-177	-174	177.2	4.2	112.5	I389 I390 Q395	I389-R393 PolarHBondContact O-N 3.14Å; I389-R393 VanDerWaalsContact O-N 3.1Å; I390-R393 PolarHBondContact O-N 3.25Å; R393-Q395 VanDerWaalsContact C-OE1 3.3Å; R393-Q395 VanDerWaalsContact CA-OE1 3.3Å
394	Q	78.9	Confident	86.1	Confident	17 Å²	17	44.6 Å²	44.6	8%	0.079	21%	0.205	C	C	.	.			trans	-116.1	10.7	-174.5	-62.6	-72.3	-78.6	0	0	113.1	F363 I389 T392 E396 H397 I398	F363-Q394 HydrophobicContact CE1-CB 3.83Å; F363-Q394 HydrophobicContact CE1-CG 3.66Å; F363-Q394 HydrophobicContact CZ-CB 4Å; F363-Q394 HydrophobicContact CZ-CG 3.64Å; I389-Q394 HydrophobicContact CG2-CB 4.23Å; I389-Q394 PolarHBondContact O-N 3.28Å; T392-Q394 VanDerWaalsContact OG1-CG 3.26Å; T392-Q394 WeakPolarHBondContact OG1-CG 3.28Å; Q394-E396 PolarHBondContact O-N 2.92Å; Q394-H397 PolarHBondContact NE2-ND1 3.34Å; Q394-H397 PolarHBondContact O-N 3.47Å; Q394-H397 VanDerWaalsContact O-N 3.17Å; Q394-H397 PolarHBondContact OE1-ND1 3.48Å; Q394-I398 WeakPolarHBondContact O-CG1 3.4Å; Q394-I398 PolarHBondContact O-N 2.73Å; Q394-I398 VanDerWaalsContact O-N 3.07Å
395	Q	85.2	Confident	86.1	Confident	51 Å²	51	44.5 Å²	44.5	24%	0.238	21%	0.205	C	C	.	.	H	α-helix	trans	-52.5	-51.5	-179	-63	93.3	-39.1	0	0	111.9	I389 R393 H397 I398 F399 W659	I389-Q395 HydrophobicContact CG2-CG 4.1Å; R393-Q395 VanDerWaalsContact C-OE1 3.3Å; R393-Q395 VanDerWaalsContact CA-OE1 3.3Å; Q395-H397 VanDerWaalsContact C-N 3.32Å; Q395-H397 PolarHBondContact O-N 3.04Å; Q395-I398 PolarHBondContact O-N 3.41Å; Q395-F399 WeakPolarHBondContact O-CD2 3.07Å; Q395-F399 PolarHBondContact O-N 3.42Å; Q395-W659 HydrophobicContact CB-CD2 4.26Å; Q395-W659 HydrophobicContact CB-CE3 3.47Å; Q395-W659 VanDerWaalsContact CB-CE3 3.47Å; Q395-W659 HydrophobicContact CB-CZ3 3.74Å; Q395-W659 HydrophobicContact CG-CD2 3.61Å; Q395-W659 HydrophobicContact CG-CE3 3.33Å; Q395-W659 HydrophobicContact CG-CG 4.16Å; Q395-W659 HydrophobicContact CG-CH2 4.44Å; Q395-W659 HydrophobicContact CG-CZ3 3.8Å
396	E	79.8	Confident	85.8	Confident	163 Å²	163	46.3 Å²	46.3	76%	0.762	21%	0.213	S	C	*	.	H	α-helix	trans	-61.9	-38.1	-178.8	-66.8	-174.4	173.6	0	0	112.6	Q394 F399 N400	Q394-E396 PolarHBondContact O-N 2.92Å; E396-F399 PolarHBondContact O-N 3.49Å; E396-N400 VanDerWaalsContact O-CB 3.25Å; E396-N400 WeakPolarHBondContact O-CB 3.39Å; E396-N400 PolarHBondContact O-N 3.4Å
397	H	77.8	Confident	85.4	Confident	35 Å²	35	50.6 Å²	50.6	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-43.6	177.7	-67.6	173.6	0	0	0	111.7	E54 Q394 Q395 N400 E401	E54-H397 IonicContact OE1-CD2 2.75Å; E54-H397 IonicContact OE1-CE1 2.64Å; E54-H397 PolarHBondContact OE1-CE1 3.24Å; E54-H397 IonicContact OE1-NE2 3.46Å; E54-H397 PolarHBondContact OE1-NE2 3.01Å; Q394-H397 PolarHBondContact NE2-ND1 3.34Å; Q394-H397 PolarHBondContact O-N 3.47Å; Q394-H397 VanDerWaalsContact O-N 3.17Å; Q394-H397 PolarHBondContact OE1-ND1 3.48Å; Q395-H397 VanDerWaalsContact C-N 3.32Å; Q395-H397 PolarHBondContact O-N 3.04Å; H397-N400 PolarHBondContact O-N 3.35Å; H397-E401 WeakPolarHBondContact O-CB 3.41Å; H397-E401 PolarHBondContact O-N 3.2Å
398	I	86.8	Confident	85.5	Confident	5 Å²	5	47 Å²	47	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-41.2	178.1	-65.5	-58.2	0	0	0	111.4	M384 I389 Q394 Q395 R402 M428 F663	M384-I398 HydrophobicContact CE-CG2 4.24Å; M384-I398 HydrophobicContact SD-CD1 3.76Å; I389-I398 HydrophobicContact CD1-CG1 4.19Å; I389-I398 HydrophobicContact CG1-CG1 4.39Å; I389-I398 HydrophobicContact CG2-CG1 4.16Å; Q394-I398 WeakPolarHBondContact O-CG1 3.4Å; Q394-I398 PolarHBondContact O-N 2.73Å; Q394-I398 VanDerWaalsContact O-N 3.07Å; Q395-I398 PolarHBondContact O-N 3.41Å; I398-R402 WeakPolarHBondContact O-CB 3.4Å; I398-R402 PolarHBondContact O-N 3.23Å; I398-M428 HydrophobicContact CG2-CE 4.31Å; I398-F663 HydrophobicContact CG2-CE1 4.49Å; I398-F663 HydrophobicContact CG2-CE2 4.01Å; I398-F663 HydrophobicContact CG2-CZ 3.5Å
399	F	85	Confident	85.5	Confident	41 Å²	41	49.8 Å²	49.8	18%	0.18	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-41	173.3	-92.9	-89.5	0	0	0	112.5	Q395 E396 R402 N403 W659 F663	Q395-F399 WeakPolarHBondContact O-CD2 3.07Å; Q395-F399 PolarHBondContact O-N 3.42Å; E396-F399 PolarHBondContact O-N 3.49Å; F399-R402 VanDerWaalsContact CD1-CZ 3.42Å; F399-R402 WeakPolarHBondContact O-CB 3.4Å; F399-R402 PolarHBondContact O-N 2.98Å; F399-N403 WeakPolarHBondContact O-CB 3.35Å; F399-N403 PolarHBondContact O-N 3.47Å; F399-N403 PolarHBondContact O-ND2 2.98Å; F399-N403 PolarHBondContact O-OD1 3.48Å; F399-W659 HydrophobicContact CD2-CE3 4.08Å; F399-W659 AromaticContact CD2-CZ3 3.85Å; F399-W659 HydrophobicContact CD2-CZ3 3.85Å; F399-W659 AromaticContact CE2-CE3 3.53Å; F399-W659 HydrophobicContact CE2-CE3 3.53Å; F399-W659 AromaticContact CE2-CZ3 3.57Å; F399-W659 HydrophobicContact CE2-CZ3 3.57Å; F399-W659 WeakPolarHBondContact CE2-O 3.5Å; F399-W659 WeakPolarHBondContact CZ-O 3.19Å; F399-F663 HydrophobicContact CD2-CE2 4.17Å; F399-F663 HydrophobicContact CE1-CD2 4.31Å; F399-F663 HydrophobicContact CE1-CE2 4.37Å; F399-F663 HydrophobicContact CE2-CD2 4.18Å; F399-F663 AromaticContact CE2-CE2 3.99Å; F399-F663 HydrophobicContact CE2-CE2 3.99Å; F399-F663 HydrophobicContact CG-CE2 4.42Å; F399-F663 AromaticContact CZ-CD2 3.94Å; F399-F663 HydrophobicContact CZ-CD2 3.94Å; F399-F663 HydrophobicContact CZ-CE2 4.11Å
400	N	83.4	Confident	85.8	Confident	50 Å²	50	50.7 Å²	50.7	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-46.6	177.5	175.6	71	0	0	0	111.7	E396 H397 R402 N403 L404 A498	E396-N400 VanDerWaalsContact O-CB 3.25Å; E396-N400 WeakPolarHBondContact O-CB 3.39Å; E396-N400 PolarHBondContact O-N 3.4Å; H397-N400 PolarHBondContact O-N 3.35Å; N400-R402 VanDerWaalsContact C-N 3.31Å; N400-R402 PolarHBondContact O-N 2.8Å; N400-N403 PolarHBondContact O-N 2.98Å; N400-L404 WeakPolarHBondContact O-CB 3.38Å; N400-L404 VanDerWaalsContact O-CG 3.28Å; N400-L404 WeakPolarHBondContact O-CG 3.37Å; N400-L404 PolarHBondContact O-N 3.34Å; N400-A498 PolarHBondContact ND2-O 3.35Å
401	E	91.2	Very high	86.1	Confident	4 Å²	4	51 Å²	51	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-51.6	-53.5	172.9	179.8	179.7	-166.5	0	0	109.8	K382 H397 N403 L404 M405 M428 F495	K382-E401 VanDerWaalsContact NZ-CD 3.35Å; K382-E401 IonicContact NZ-OE1 2.67Å; K382-E401 PolarHBondContact NZ-OE1 3.22Å; K382-E401 IonicContact NZ-OE2 3.31Å; K382-E401 PolarHBondContact NZ-OE2 2.89Å; H397-E401 WeakPolarHBondContact O-CB 3.41Å; H397-E401 PolarHBondContact O-N 3.2Å; E401-N403 PolarHBondContact O-N 3.39Å; E401-L404 PolarHBondContact O-N 3.12Å; E401-M405 HydrophobicContact CG-CG 4.5Å; E401-M405 HydrophobicContact CG-SD 3.85Å; E401-M405 WeakPolarHBondContact O-CB 3.46Å; E401-M405 VanDerWaalsContact O-CG 3.26Å; E401-M405 WeakPolarHBondContact O-CG 3.29Å; E401-M405 PolarHBondContact O-N 2.97Å; E401-M428 HydrophobicContact CG-CE 4.4Å; E401-F495 HydrophobicContact CG-CB 3.9Å; E401-F495 PolarHBondContact OE1-N 2.73Å
402	R	92.1	Very high	86.7	Confident	22 Å²	22	48.1 Å²	48.1	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-55.8	-53.1	179.2	-171.4	-160.7	66.9	-176.5	11.2	113	I398 F399 N400 L404 M405 F406 L416 T419 M428 G662 F663	I398-R402 WeakPolarHBondContact O-CB 3.4Å; I398-R402 PolarHBondContact O-N 3.23Å; F399-R402 VanDerWaalsContact CD1-CZ 3.42Å; F399-R402 WeakPolarHBondContact O-CB 3.4Å; F399-R402 PolarHBondContact O-N 2.98Å; N400-R402 VanDerWaalsContact C-N 3.31Å; N400-R402 PolarHBondContact O-N 2.8Å; R402-L404 VanDerWaalsContact C-N 3.33Å; R402-L404 PolarHBondContact O-N 3Å; R402-M405 PolarHBondContact O-N 3.38Å; R402-F406 HydrophobicContact CG-CD2 3.88Å; R402-F406 HydrophobicContact CG-CE2 3.61Å; R402-F406 WeakPolarHBondContact O-CD2 3.46Å; R402-F406 PolarHBondContact O-N 3.46Å; R402-L416 HydrophobicContact CG-CD2 4.1Å; R402-T419 HydrophobicContact CG-CG2 3.74Å; R402-M428 HydrophobicContact CB-CE 3.7Å; R402-M428 HydrophobicContact CG-CE 4.26Å; R402-G662 PolarHBondContact NH1-O 3.35Å; R402-F663 HydrophobicContact CB-CZ 4.28Å; R402-F663 HydrophobicContact CG-CE1 4.46Å; R402-F663 HydrophobicContact CG-CZ 4.32Å
403	N	88.1	Confident	87.8	Confident	73 Å²	73	47.8 Å²	47.8	39%	0.39	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-42.9	-174.7	-71.1	-15.6	0	0	0	111.1	F399 N400 E401	F399-N403 WeakPolarHBondContact O-CB 3.35Å; F399-N403 PolarHBondContact O-N 3.47Å; F399-N403 PolarHBondContact O-ND2 2.98Å; F399-N403 PolarHBondContact O-OD1 3.48Å; N400-N403 PolarHBondContact O-N 2.98Å; E401-N403 PolarHBondContact O-N 3.39Å
404	L	89.9	Confident	88.6	Confident	3 Å²	3	39 Å²	39	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-50.2	175.2	-71.6	177.1	0	0	0	111.5	N400 E401 R402 F406 E407 F408 V472 A498 R500	N400-L404 WeakPolarHBondContact O-CB 3.38Å; N400-L404 VanDerWaalsContact O-CG 3.28Å; N400-L404 WeakPolarHBondContact O-CG 3.37Å; N400-L404 PolarHBondContact O-N 3.34Å; E401-L404 PolarHBondContact O-N 3.12Å; R402-L404 VanDerWaalsContact C-N 3.33Å; R402-L404 PolarHBondContact O-N 3Å; L404-F406 VanDerWaalsContact C-N 3.3Å; L404-F406 PolarHBondContact O-N 3.19Å; L404-E407 WeakPolarHBondContact O-CB 3.43Å; L404-E407 PolarHBondContact O-N 3.32Å; L404-F408 HydrophobicContact CB-CE1 4.49Å; L404-F408 HydrophobicContact CB-CE2 4.08Å; L404-F408 HydrophobicContact CB-CZ 3.73Å; L404-F408 WeakPolarHBondContact O-CD1 3.4Å; L404-F408 WeakPolarHBondContact O-CE1 3.43Å; L404-F408 WeakPolarHBondContact O-CG 3.5Å; L404-V472 HydrophobicContact CD1-CG1 4.26Å; L404-V472 HydrophobicContact CD2-CG2 3.73Å; L404-A498 HydrophobicContact CD1-CB 3.94Å; L404-R500 HydrophobicContact CD2-CB 4.33Å
405	M	93.1	Very high	89.3	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-32.2	-175.6	-70.4	-176.1	77.8	0	0	113.4	E401 R402 E407 F408 V414 L416 L430 F495	E401-M405 HydrophobicContact CG-CG 4.5Å; E401-M405 HydrophobicContact CG-SD 3.85Å; E401-M405 WeakPolarHBondContact O-CB 3.46Å; E401-M405 VanDerWaalsContact O-CG 3.26Å; E401-M405 WeakPolarHBondContact O-CG 3.29Å; E401-M405 PolarHBondContact O-N 2.97Å; R402-M405 PolarHBondContact O-N 3.38Å; M405-E407 PolarHBondContact O-N 2.84Å; M405-F408 HydrophobicContact CB-CD2 4.48Å; M405-F408 HydrophobicContact CG-CD2 4.31Å; M405-F408 HydrophobicContact CG-CE2 4.34Å; M405-F408 PolarHBondContact O-N 3.43Å; M405-F408 VanDerWaalsContact O-N 3.15Å; M405-V414 HydrophobicContact CE-CG1 3.66Å; M405-L416 HydrophobicContact CB-CB 3.7Å; M405-L416 HydrophobicContact CB-CD2 3.8Å; M405-L416 HydrophobicContact CB-CG 4.4Å; M405-L416 HydrophobicContact CE-CB 4.3Å; M405-L430 HydrophobicContact CE-CD2 3.44Å; M405-L430 VanDerWaalsContact CE-CD2 3.44Å; M405-F495 HydrophobicContact CE-CD2 3.92Å; M405-F495 HydrophobicContact CE-CE2 4.39Å; M405-F495 HydrophobicContact CG-CB 3.97Å; M405-F495 HydrophobicContact CG-CD2 3.8Å; M405-F495 HydrophobicContact CG-CG 3.97Å; M405-F495 HydrophobicContact SD-CB 4.14Å; M405-F495 HydrophobicContact SD-CD2 3.85Å; M405-F495 HydrophobicContact SD-CG 4.35Å
406	F	88.5	Confident	89.7	Confident	68 Å²	68	38.1 Å²	38.1	30%	0.298	18%	0.18	S	C	.	.	H	α-helix	trans	-61.1	-27	174.5	-88.5	-55.2	0	0	0	113.3	R402 L404 R409 L416 T419	R402-F406 HydrophobicContact CG-CD2 3.88Å; R402-F406 HydrophobicContact CG-CE2 3.61Å; R402-F406 WeakPolarHBondContact O-CD2 3.46Å; R402-F406 PolarHBondContact O-N 3.46Å; L404-F406 VanDerWaalsContact C-N 3.3Å; L404-F406 PolarHBondContact O-N 3.19Å; F406-R409 PolarHBondContact O-NH1 3.19Å; F406-R409 PolarHBondContact O-NH2 2.88Å; F406-R409 VanDerWaalsContact O-NH2 3.11Å; F406-L416 HydrophobicContact CD1-CD2 4.09Å; F406-L416 HydrophobicContact CD1-CG 4.18Å; F406-L416 HydrophobicContact CD2-CD2 3.93Å; F406-L416 HydrophobicContact CE1-CD2 4.12Å; F406-L416 HydrophobicContact CE1-CG 4.06Å; F406-L416 HydrophobicContact CE2-CD2 3.97Å; F406-L416 HydrophobicContact CG-CD2 3.99Å; F406-L416 HydrophobicContact CZ-CD2 4.06Å; F406-L416 HydrophobicContact CZ-CG 4.35Å; F406-T419 HydrophobicContact CE2-CG2 3.99Å; F406-T419 HydrophobicContact CZ-CG2 3.87Å
407	E	86.8	Confident	90.2	Very high	94 Å²	94	32.8 Å²	32.8	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-83.5	-17.7	178.5	-60.9	177.1	-145.4	0	0	113.2	L404 M405 R500	L404-E407 WeakPolarHBondContact O-CB 3.43Å; L404-E407 PolarHBondContact O-N 3.32Å; M405-E407 PolarHBondContact O-N 2.84Å; E407-R500 IonicContact OE1-CZ 3.4Å; E407-R500 IonicContact OE1-NH2 2.71Å; E407-R500 PolarHBondContact OE1-NH2 3.3Å; E407-R500 IonicContact OE2-CZ 3.85Å; E407-R500 IonicContact OE2-NH2 2.71Å; E407-R500 PolarHBondContact OE2-NH2 3.25Å
408	F	91.4	Very high	90.9	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.013	16%	0.156	C	C	.	.			trans	-79.5	130.3	-171.1	-59.9	-22.9	0	0	0	113.1	L404 M405 V413 Y466 L467 V472 F495	L404-F408 HydrophobicContact CB-CE1 4.49Å; L404-F408 HydrophobicContact CB-CE2 4.08Å; L404-F408 HydrophobicContact CB-CZ 3.73Å; L404-F408 WeakPolarHBondContact O-CD1 3.4Å; L404-F408 WeakPolarHBondContact O-CE1 3.43Å; L404-F408 WeakPolarHBondContact O-CG 3.5Å; M405-F408 HydrophobicContact CB-CD2 4.48Å; M405-F408 HydrophobicContact CG-CD2 4.31Å; M405-F408 HydrophobicContact CG-CE2 4.34Å; M405-F408 PolarHBondContact O-N 3.43Å; M405-F408 VanDerWaalsContact O-N 3.15Å; F408-V413 HydrophobicContact CB-CG1 3.98Å; F408-V413 HydrophobicContact CD2-CG1 3.75Å; F408-V413 HydrophobicContact CG-CG1 4.18Å; F408-Y466 HydrophobicContact CB-CE1 4.18Å; F408-Y466 AromaticContact CD1-CE1 3.94Å; F408-Y466 HydrophobicContact CD1-CE1 3.94Å; F408-Y466 HydrophobicContact CG-CE1 4.27Å; F408-L467 HydrophobicContact CD1-CD2 4.19Å; F408-L467 HydrophobicContact CD2-CD2 4.19Å; F408-L467 HydrophobicContact CE1-CD2 3.73Å; F408-L467 HydrophobicContact CE2-CD2 3.75Å; F408-L467 HydrophobicContact CG-CD2 4.42Å; F408-L467 HydrophobicContact CZ-CD2 3.49Å; F408-L467 VanDerWaalsContact CZ-CD2 3.49Å; F408-V472 HydrophobicContact CE1-CG2 4.1Å; F408-V472 HydrophobicContact CZ-CB 4.49Å; F408-V472 HydrophobicContact CZ-CG1 4.11Å; F408-V472 HydrophobicContact CZ-CG2 4.13Å; F408-F495 HydrophobicContact CD2-CD1 4.41Å; F408-F495 HydrophobicContact CD2-CE1 4.11Å; F408-F495 HydrophobicContact CD2-CZ 4.22Å; F408-F495 AromaticContact CE2-CD1 3.56Å; F408-F495 HydrophobicContact CE2-CD1 3.56Å; F408-F495 AromaticContact CE2-CE1 3.54Å; F408-F495 HydrophobicContact CE2-CE1 3.54Å; F408-F495 HydrophobicContact CE2-CG 4.12Å; F408-F495 HydrophobicContact CE2-CZ 4.1Å; F408-F495 HydrophobicContact CZ-CD1 4.35Å; F408-F495 HydrophobicContact CZ-CE1 4.36Å
409	R	88	Confident	91.3	Very high	106 Å²	106	33.8 Å²	33.8	40%	0.4	16%	0.158	S	C	.	.			trans	-144.1	70.5	-177.7	-59.1	-65.2	-178.6	-80.6	-8.2	107.8	F406 Y466	F406-R409 PolarHBondContact O-NH1 3.19Å; F406-R409 PolarHBondContact O-NH2 2.88Å; F406-R409 VanDerWaalsContact O-NH2 3.11Å; R409-Y466 PolarHBondContact N-OH 3.36Å; R409-Y466 VanDerWaalsContact O-CE2 3.26Å; R409-Y466 WeakPolarHBondContact O-CE2 3.45Å; R409-Y466 PolarHBondContact O-OH 3.29Å
410	S	92	Very high	91.8	Very high	18 Å²	18	32.7 Å²	32.7	13%	0.126	15%	0.153	C	C	.	.			trans	-130.9	141.4	176.9	-178.1	0	0	0	0	109.5	Y412 V413	S410-Y412 PolarHBondContact O-N 3.27Å; S410-Y412 PolarHBondContact OG-N 3.27Å; S410-V413 PolarHBondContact O-N 3.11Å
411	P	93.7	Very high	92.3	Very high	53 Å²	53	35.4 Å²	35.4	34%	0.344	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.1	172.9	25.9	-33	0	0	0	113.1	K491	P411-K491 WeakPolarHBondContact O-CD 3.38Å; P411-K491 WeakPolarHBondContact O-CE 3.34Å; P411-K491 WeakPolarHBondContact O-CG 3.46Å; P411-K491 PolarHBondContact O-NZ 3.29Å
412	Y	96.5	Very high	92.4	Very high	6 Å²	6	38.2 Å²	38.2	2%	0.024	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	6.3	-177.2	-52.5	-67.7	0	0	0	114.3	S410 C459 E462 K491 I492 L620	S410-Y412 PolarHBondContact O-N 3.27Å; S410-Y412 PolarHBondContact OG-N 3.27Å; Y412-C459 HydrophobicContact CD1-CB 3.89Å; Y412-C459 HydrophobicContact CE1-CB 4.26Å; Y412-E462 HydrophobicContact CD2-CB 3.42Å; Y412-E462 VanDerWaalsContact CD2-CB 3.42Å; Y412-E462 HydrophobicContact CD2-CG 4.34Å; Y412-E462 HydrophobicContact CE2-CB 3.57Å; Y412-E462 HydrophobicContact CE2-CG 3.99Å; Y412-E462 HydrophobicContact CG-CB 4.19Å; Y412-K491 WeakPolarHBondContact O-CA 3.4Å; Y412-I492 PolarHBondContact O-N 2.69Å; Y412-L620 HydrophobicContact CE1-CD1 4.4Å; Y412-L620 WeakPolarHBondContact OH-CG 3.41Å; Y412-L620 PolarHBondContact OH-O 3.27Å
413	V	96.4	Very high	92.6	Very high	3 Å²	3	45 Å²	45	2%	0.018	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-126	132.4	175.2	171.5	0	0	0	0	107.8	F408 S410 R415 A463 Y466 L467 F495	F408-V413 HydrophobicContact CB-CG1 3.98Å; F408-V413 HydrophobicContact CD2-CG1 3.75Å; F408-V413 HydrophobicContact CG-CG1 4.18Å; S410-V413 PolarHBondContact O-N 3.11Å; V413-R415 PolarHBondContact O-N 3.05Å; V413-A463 HydrophobicContact CG2-CB 4.09Å; V413-Y466 HydrophobicContact CG2-CD1 4.38Å; V413-L467 HydrophobicContact CG2-CD2 4.44Å; V413-L467 HydrophobicContact CG2-CG 4.48Å; V413-F495 HydrophobicContact CB-CZ 4.42Å; V413-F495 HydrophobicContact CG1-CE1 4.32Å; V413-F495 HydrophobicContact CG1-CE2 3.74Å; V413-F495 HydrophobicContact CG1-CZ 3.36Å; V413-F495 HydrophobicContact CG2-CZ 4.35Å
414	V	95.8	Very high	92.9	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.024	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-60.3	136	178	70.5	0	0	0	0	111	M405 L430 E431 I492 V493 F495	M405-V414 HydrophobicContact CE-CG1 3.66Å; V414-L430 HydrophobicContact CG2-CB 4.44Å; V414-E431 HydrophobicContact CG2-CB 3.93Å; V414-I492 PolarHBondContact N-O 2.85Å; V414-V493 HydrophobicContact CB-CG1 3.92Å; V414-V493 HydrophobicContact CG1-CB 4.14Å; V414-V493 HydrophobicContact CG1-CG1 3.94Å; V414-V493 HydrophobicContact CG2-CG1 4.37Å; V414-F495 HydrophobicContact CG1-CE2 4.28Å
415	R	93.5	Very high	93.1	Very high	46 Å²	46	45.8 Å²	45.8	17%	0.174	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-84.6	130.5	-180	-174.9	165.3	179	161.6	-0.1	111.2	L340 V413 Y417 L430 E431	L340-R415 VanDerWaalsContact CD1-NH1 3.3Å; V413-R415 PolarHBondContact O-N 3.05Å; R415-Y417 HydrophobicContact CB-CE2 4.42Å; R415-Y417 VanDerWaalsContact CD-CE1 3.43Å; R415-Y417 HydrophobicContact CG-CD1 4.13Å; R415-Y417 HydrophobicContact CG-CE1 3.9Å; R415-Y417 HydrophobicContact CG-CE2 4.44Å; R415-L430 CarbonylContact O-C 3.57Å; R415-L430 WeakPolarHBondContact O-CA 3.16Å; R415-E431 HydrophobicContact CB-CB 4.24Å; R415-E431 PolarHBondContact O-N 2.8Å
416	L	93.5	Very high	93.2	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.3	159.5	178.3	64.1	0	0	0	109	R402 M405 F406 T419 M428 L430	R402-L416 HydrophobicContact CG-CD2 4.1Å; M405-L416 HydrophobicContact CB-CB 3.7Å; M405-L416 HydrophobicContact CB-CD2 3.8Å; M405-L416 HydrophobicContact CB-CG 4.4Å; M405-L416 HydrophobicContact CE-CB 4.3Å; F406-L416 HydrophobicContact CD1-CD2 4.09Å; F406-L416 HydrophobicContact CD1-CG 4.18Å; F406-L416 HydrophobicContact CD2-CD2 3.93Å; F406-L416 HydrophobicContact CE1-CD2 4.12Å; F406-L416 HydrophobicContact CE1-CG 4.06Å; F406-L416 HydrophobicContact CE2-CD2 3.97Å; F406-L416 HydrophobicContact CG-CD2 3.99Å; F406-L416 HydrophobicContact CZ-CD2 4.06Å; F406-L416 HydrophobicContact CZ-CG 4.35Å; L416-T419 HydrophobicContact CD1-CG2 4.44Å; L416-T419 HydrophobicContact CD2-CG2 4.39Å; L416-M428 HydrophobicContact CD1-CB 3.75Å; L416-M428 HydrophobicContact CD1-CG 4.22Å; L416-L430 HydrophobicContact CB-CD2 4.05Å; L416-L430 HydrophobicContact CD1-CD2 3.76Å; L416-L430 HydrophobicContact CD1-CG 4.48Å
417	Y	91.4	Very high	93.6	Very high	52 Å²	52	43.8 Å²	43.8	20%	0.204	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-46.8	179.2	-66.6	-75.7	0	0	0	112.3	M344 Y379 R415 L429 E431	M344-Y417 HydrophobicContact CG-CD1 4.12Å; M344-Y417 HydrophobicContact SD-CD1 3.98Å; M344-Y417 HydrophobicContact SD-CG 3.97Å; Y379-Y417 AromaticContact CD1-CD2 3.82Å; Y379-Y417 HydrophobicContact CD1-CD2 3.82Å; Y379-Y417 AromaticContact CD1-CE2 3.84Å; Y379-Y417 HydrophobicContact CD1-CE2 3.84Å; Y379-Y417 AromaticContact CE1-CD2 3.93Å; Y379-Y417 HydrophobicContact CE1-CD2 3.93Å; Y379-Y417 AromaticContact CE1-CE2 3.84Å; Y379-Y417 HydrophobicContact CE1-CE2 3.84Å; Y379-Y417 HydrophobicContact CE1-CG 4.47Å; R415-Y417 HydrophobicContact CB-CE2 4.42Å; R415-Y417 VanDerWaalsContact CD-CE1 3.43Å; R415-Y417 HydrophobicContact CG-CD1 4.13Å; R415-Y417 HydrophobicContact CG-CE1 3.9Å; R415-Y417 HydrophobicContact CG-CE2 4.44Å; Y417-L429 PolarHBondContact N-O 3.44Å; Y417-E431 HydrophobicContact CE2-CB 3.88Å
418	K	92.3	Very high	94	Very high	48 Å²	48	39.3 Å²	39.3	21%	0.209	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	159.5	-171.3	-173.5	158.4	-173.7	176.3	0	110.9	M344 I345 L347 F420 L429	M344-K418 WeakPolarHBondContact O-CD 3.1Å; M344-K418 PolarHBondContact O-NZ 3.21Å; M344-K418 VanDerWaalsContact O-NZ 3.12Å; I345-K418 PolarHBondContact O-NZ 2.93Å; L347-K418 WeakPolarHBondContact O-CE 3.26Å; L347-K418 PolarHBondContact O-NZ 2.52Å; K418-F420 HydrophobicContact CB-CZ 4.48Å; K418-F420 HydrophobicContact CD-CE1 3.82Å; K418-F420 HydrophobicContact CD-CZ 4.08Å; K418-F420 HydrophobicContact CG-CE1 4.02Å; K418-F420 HydrophobicContact CG-CZ 4.11Å; K418-L429 HydrophobicContact CB-CB 4.41Å; K418-L429 WeakPolarHBondContact O-CB 3.39Å; K418-L429 PolarHBondContact O-N 3.28Å
419	T	94.3	Very high	94.2	Very high	12 Å²	12	39.1 Å²	39.1	7%	0.074	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.2	170.7	48.8	0	0	0	0	110.6	R402 F406 L416 Y427 M428 F663	R402-T419 HydrophobicContact CG-CG2 3.74Å; F406-T419 HydrophobicContact CE2-CG2 3.99Å; F406-T419 HydrophobicContact CZ-CG2 3.87Å; L416-T419 HydrophobicContact CD1-CG2 4.44Å; L416-T419 HydrophobicContact CD2-CG2 4.39Å; T419-Y427 CarbonylContact C-O 3.58Å; T419-Y427 WeakPolarHBondContact CA-O 3.4Å; T419-Y427 WeakPolarHBondContact CB-O 3.19Å; T419-M428 HydrophobicContact CG2-CG 4.05Å; T419-F663 VanDerWaalsContact C-OXT 3.27Å; T419-F663 WeakPolarHBondContact CB-OXT 3.49Å; T419-F663 HydrophobicContact CG2-CD1 3.91Å; T419-F663 HydrophobicContact CG2-CE1 3.96Å; T419-F663 PolarHBondContact OG1-OXT 3.39Å
420	F	95.2	Very high	94.5	Very high	18 Å²	18	35 Å²	35	8%	0.079	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	167.8	172.6	-45.5	-80.7	0	0	0	109.6	L347 I349 L352 L381 K418 Y427 L429	L347-F420 WeakPolarHBondContact O-CE1 3.13Å; I349-F420 HydrophobicContact CB-CB 4.29Å; I349-F420 HydrophobicContact CB-CD1 4.18Å; I349-F420 HydrophobicContact CB-CD2 4.35Å; I349-F420 HydrophobicContact CB-CG 4.04Å; I349-F420 HydrophobicContact CD1-CB 4.26Å; L352-F420 HydrophobicContact CD1-CE2 3.85Å; L352-F420 HydrophobicContact CD1-CZ 4.15Å; L381-F420 HydrophobicContact CD1-CD2 4.16Å; L381-F420 HydrophobicContact CD1-CE2 4.23Å; K418-F420 HydrophobicContact CB-CZ 4.48Å; K418-F420 HydrophobicContact CD-CE1 3.82Å; K418-F420 HydrophobicContact CD-CZ 4.08Å; K418-F420 HydrophobicContact CG-CE1 4.02Å; K418-F420 HydrophobicContact CG-CZ 4.11Å; F420-Y427 HydrophobicContact CB-CD2 3.97Å; F420-Y427 HydrophobicContact CB-CG 4.34Å; F420-Y427 PolarHBondContact N-O 3.42Å; F420-Y427 PolarHBondContact O-N 2.8Å; F420-L429 HydrophobicContact CE2-CB 3.93Å; F420-L429 HydrophobicContact CE2-CD1 4.44Å; F420-L429 HydrophobicContact CE2-CD2 4.25Å; F420-L429 HydrophobicContact CE2-CG 4.45Å; F420-L429 HydrophobicContact CZ-CD2 4.26Å
421	R	94.4	Very high	94.6	Very high	108 Å²	108	36.1 Å²	36.1	41%	0.408	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.4	170.8	58.5	176.8	-175.3	142.9	0.4	111.3	Y425 V426 D660 F663	R421-Y425 WeakPolarHBondContact CA-O 3.35Å; R421-V426 HydrophobicContact CB-CG1 4.29Å; R421-D660 WeakPolarHBondContact CB-OD2 3.31Å; R421-D660 WeakPolarHBondContact CD-O 3.38Å; R421-D660 WeakPolarHBondContact CD-OD2 3.49Å; R421-D660 IonicContact NH1-OD1 2.76Å; R421-D660 PolarHBondContact NH1-OD1 2.86Å; R421-D660 VanDerWaalsContact NH1-OD1 3.11Å; R421-D660 IonicContact NH1-OD2 2.77Å; R421-F663 HydrophobicContact CB-CB 4.11Å; R421-F663 HydrophobicContact CG-CB 4.35Å
422	D	94.5	Very high	94.6	Very high	63 Å²	63	34.6 Å²	34.6	34%	0.337	15%	0.149	S	C	.	.			trans	-133.9	-161.1	166.7	65.4	31.3	0	0	0	109.8	K386 K424 Y425 Y427	K386-D422 WeakPolarHBondContact CE-O 3.18Å; K386-D422 PolarHBondContact NZ-O 2.9Å; D422-K424 PolarHBondContact O-N 2.72Å; D422-K424 WeakPolarHBondContact OD1-CA 3.43Å; D422-K424 PolarHBondContact OD1-N 2.66Å; D422-Y425 PolarHBondContact N-O 3.47Å; D422-Y425 PolarHBondContact OD1-N 2.99Å; D422-Y427 HydrophobicContact CB-CE2 4.42Å; D422-Y427 WeakPolarHBondContact OD2-CE2 3.39Å; D422-Y427 PolarHBondContact OD2-OH 2.83Å
423	R	95.4	Very high	94.5	Very high	163 Å²	163	34.5 Å²	34.5	62%	0.615	15%	0.15	S	C	*	.	S	Bend	trans	-72	-12.6	-179.7	-62.5	-173.5	-179	176.8	0.8	114.4	D654 E655 L656	R423-D654 HydrophobicContact CB-CB 4.39Å; R423-D654 WeakPolarHBondContact CD-OD2 3.16Å; R423-D654 CarbonylContact O-C 3.54Å; R423-D654 WeakPolarHBondContact O-CA 3.36Å; R423-E655 PolarHBondContact O-N 2.9Å; R423-L656 HydrophobicContact CB-CD2 4.03Å; R423-L656 HydrophobicContact CG-CD2 3.9Å
424	K	94	Very high	94.4	Very high	56 Å²	56	34.9 Å²	34.9	24%	0.243	15%	0.151	C	C	.	.	S	Bend	trans	-126.5	-31.1	-166	-69.9	-175.7	-176.7	-57.3	0	113.2	K386 D422 I651 P652 D654	K386-K424 WeakPolarHBondContact CB-O 3.46Å; K386-K424 WeakPolarHBondContact CG-O 3.04Å; K386-K424 PolarHBondContact N-O 3.41Å; D422-K424 PolarHBondContact O-N 2.72Å; D422-K424 WeakPolarHBondContact OD1-CA 3.43Å; D422-K424 PolarHBondContact OD1-N 2.66Å; K424-I651 HydrophobicContact CD-CG2 3.68Å; K424-P652 HydrophobicContact CB-CG 4.08Å; K424-P652 WeakPolarHBondContact CD-O 2.93Å; K424-P652 PolarHBondContact NZ-O 3.12Å; K424-D654 VanDerWaalsContact CE-OD1 3.27Å; K424-D654 WeakPolarHBondContact CE-OD1 2.96Å; K424-D654 WeakPolarHBondContact CG-OD1 3.22Å; K424-D654 IonicContact NZ-OD1 3.89Å; K424-D654 PolarHBondContact NZ-OD1 3.07Å
425	Y	95.1	Very high	94.3	Very high	38 Å²	38	34.8 Å²	34.8	15%	0.149	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152	-171.1	-61.7	-87.2	0	0	0	111.8	A383 M384 K385 K386 R421 D422 Y427 P652	A383-Y425 HydrophobicContact CB-CD1 4.47Å; M384-Y425 VanDerWaalsContact O-CA 3.29Å; M384-Y425 WeakPolarHBondContact O-CA 2.99Å; K385-Y425 HydrophobicContact CB-CE1 4.5Å; K385-Y425 HydrophobicContact CG-CD1 4.13Å; K385-Y425 HydrophobicContact CG-CE1 3.58Å; K386-Y425 WeakPolarHBondContact CE-O 3.26Å; R421-Y425 WeakPolarHBondContact CA-O 3.35Å; D422-Y425 PolarHBondContact N-O 3.47Å; D422-Y425 PolarHBondContact OD1-N 2.99Å; Y425-Y427 WeakPolarHBondContact CB-OH 3.34Å; Y425-Y427 WeakPolarHBondContact CD2-OH 3.37Å; Y425-Y427 HydrophobicContact CG-CE1 4.39Å; Y425-Y427 AromaticContact CG-CZ 3.98Å; Y425-P652 HydrophobicContact CE1-CG 4.07Å; Y425-P652 HydrophobicContact CE2-CG 4.09Å; Y425-P652 VanDerWaalsContact CZ-CD 3.44Å; Y425-P652 WeakPolarHBondContact OH-CD 3.25Å
426	V	95.2	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.7	155.8	-69.5	0	0	0	0	108.7	M384 K386 I389 R421 W659 D660 F663	M384-V426 HydrophobicContact CB-CG2 4.14Å; M384-V426 HydrophobicContact CE-CG2 3.91Å; M384-V426 PolarHBondContact N-O 3.2Å; M384-V426 PolarHBondContact O-N 2.89Å; M384-V426 VanDerWaalsContact O-N 3.1Å; K386-V426 HydrophobicContact CG-CG1 4.29Å; I389-V426 HydrophobicContact CD1-CG2 3.76Å; R421-V426 HydrophobicContact CB-CG1 4.29Å; V426-W659 HydrophobicContact CG1-CH2 4.47Å; V426-W659 HydrophobicContact CG1-CZ2 4.43Å; V426-W659 HydrophobicContact CG2-CH2 4.43Å; V426-D660 HydrophobicContact CG1-CB 3.7Å; V426-F663 HydrophobicContact CB-CD1 3.7Å; V426-F663 HydrophobicContact CB-CE1 3.89Å; V426-F663 HydrophobicContact CB-CG 4.08Å; V426-F663 HydrophobicContact CB-CZ 4.41Å; V426-F663 HydrophobicContact CG1-CB 4.27Å; V426-F663 HydrophobicContact CG1-CD1 4.04Å; V426-F663 HydrophobicContact CG1-CD2 4.15Å; V426-F663 HydrophobicContact CG1-CE1 4.49Å; V426-F663 HydrophobicContact CG1-CG 3.88Å; V426-F663 HydrophobicContact CG2-CE1 4.24Å; V426-F663 HydrophobicContact CG2-CZ 4.44Å
427	Y	95.9	Very high	94.4	Very high	26 Å²	26	33.7 Å²	33.7	10%	0.102	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142	-172.8	-55.5	-91.3	0	0	0	111.5	I349 L381 K382 A383 T419 F420 D422 Y425	I349-Y427 HydrophobicContact CD1-CD1 3.93Å; I349-Y427 HydrophobicContact CD1-CD2 3.51Å; I349-Y427 HydrophobicContact CD1-CE1 3.82Å; I349-Y427 HydrophobicContact CD1-CE2 3.37Å; I349-Y427 HydrophobicContact CD1-CG 3.78Å; L381-Y427 HydrophobicContact CD1-CD1 4.3Å; L381-Y427 HydrophobicContact CD2-CD1 4.01Å; L381-Y427 HydrophobicContact CD2-CE1 4.49Å; L381-Y427 HydrophobicContact CG-CD1 4.1Å; K382-Y427 CarbonylContact O-C 3.59Å; K382-Y427 VanDerWaalsContact O-CA 3.31Å; K382-Y427 WeakPolarHBondContact O-CA 3.36Å; A383-Y427 HydrophobicContact CB-CD1 3.65Å; A383-Y427 HydrophobicContact CB-CE1 3.64Å; T419-Y427 CarbonylContact C-O 3.58Å; T419-Y427 WeakPolarHBondContact CA-O 3.4Å; T419-Y427 WeakPolarHBondContact CB-O 3.19Å; F420-Y427 HydrophobicContact CB-CD2 3.97Å; F420-Y427 HydrophobicContact CB-CG 4.34Å; F420-Y427 PolarHBondContact N-O 3.42Å; F420-Y427 PolarHBondContact O-N 2.8Å; D422-Y427 HydrophobicContact CB-CE2 4.42Å; D422-Y427 WeakPolarHBondContact OD2-CE2 3.39Å; D422-Y427 PolarHBondContact OD2-OH 2.83Å; Y425-Y427 WeakPolarHBondContact CB-OH 3.34Å; Y425-Y427 WeakPolarHBondContact CD2-OH 3.37Å; Y425-Y427 HydrophobicContact CG-CE1 4.39Å; Y425-Y427 AromaticContact CG-CZ 3.98Å
428	M	95.1	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.7	170.6	-67.8	171.3	172.8	0	0	109.5	K382 M384 I398 E401 R402 L416 T419 L430 F663	K382-M428 HydrophobicContact CB-CB 4.24Å; K382-M428 HydrophobicContact CD-SD 4.2Å; K382-M428 PolarHBondContact N-O 2.91Å; K382-M428 PolarHBondContact O-N 2.83Å; M384-M428 HydrophobicContact CE-CE 3.92Å; M384-M428 HydrophobicContact CE-CG 4.01Å; M384-M428 HydrophobicContact CE-SD 3.81Å; I398-M428 HydrophobicContact CG2-CE 4.31Å; E401-M428 HydrophobicContact CG-CE 4.4Å; R402-M428 HydrophobicContact CB-CE 3.7Å; R402-M428 HydrophobicContact CG-CE 4.26Å; L416-M428 HydrophobicContact CD1-CB 3.75Å; L416-M428 HydrophobicContact CD1-CG 4.22Å; T419-M428 HydrophobicContact CG2-CG 4.05Å; M428-L430 HydrophobicContact CB-CG 4.46Å; M428-F663 HydrophobicContact CE-CE1 4.12Å; M428-F663 HydrophobicContact CE-CZ 4.06Å; M428-F663 HydrophobicContact CG-CE1 4.32Å
429	L	96	Very high	94.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	108.6	177.5	-169.9	73.6	0	0	0	110.2	L347 L352 V369 Y379 L381 Y417 K418 F420	L347-L429 HydrophobicContact CD2-CD2 3.45Å; L347-L429 VanDerWaalsContact CD2-CD2 3.45Å; L352-L429 HydrophobicContact CD1-CD1 3.71Å; V369-L429 HydrophobicContact CG2-CD1 4.02Å; Y379-L429 VanDerWaalsContact CB-CD1 3.47Å; Y379-L429 HydrophobicContact CD1-CD2 4.42Å; Y379-L429 HydrophobicContact CD1-CG 4.29Å; Y379-L429 HydrophobicContact CD2-CD1 4.46Å; Y379-L429 HydrophobicContact CG-CD1 3.97Å; Y379-L429 HydrophobicContact CG-CD2 4.31Å; Y379-L429 HydrophobicContact CG-CG 4.1Å; L381-L429 HydrophobicContact CD1-CB 4.44Å; L381-L429 HydrophobicContact CD1-CD1 3.99Å; Y417-L429 PolarHBondContact N-O 3.44Å; K418-L429 HydrophobicContact CB-CB 4.41Å; K418-L429 WeakPolarHBondContact O-CB 3.39Å; K418-L429 PolarHBondContact O-N 3.28Å; F420-L429 HydrophobicContact CE2-CB 3.93Å; F420-L429 HydrophobicContact CE2-CD1 4.44Å; F420-L429 HydrophobicContact CE2-CD2 4.25Å; F420-L429 HydrophobicContact CE2-CG 4.45Å; F420-L429 HydrophobicContact CZ-CD2 4.26Å
430	L	95	Very high	94.6	Very high	19 Å²	19	29.8 Å²	29.8	10%	0.099	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	160.8	-170.7	-58.5	164.3	0	0	0	111.5	Y379 A380 K382 M405 V414 R415 L416 M428 A432	Y379-L430 WeakPolarHBondContact CA-O 3.46Å; Y379-L430 WeakPolarHBondContact CB-O 3.49Å; A380-L430 HydrophobicContact CB-CB 4.19Å; A380-L430 PolarHBondContact N-O 2.98Å; A380-L430 WeakPolarHBondContact O-CA 3.27Å; A380-L430 WeakPolarHBondContact O-CB 3.38Å; A380-L430 PolarHBondContact O-N 2.9Å; K382-L430 HydrophobicContact CB-CD1 4.1Å; M405-L430 HydrophobicContact CE-CD2 3.44Å; M405-L430 VanDerWaalsContact CE-CD2 3.44Å; V414-L430 HydrophobicContact CG2-CB 4.44Å; R415-L430 CarbonylContact O-C 3.57Å; R415-L430 WeakPolarHBondContact O-CA 3.16Å; L416-L430 HydrophobicContact CB-CD2 4.05Å; L416-L430 HydrophobicContact CD1-CD2 3.76Å; L416-L430 HydrophobicContact CD1-CG 4.48Å; M428-L430 HydrophobicContact CB-CG 4.46Å; L430-A432 PolarHBondContact O-N 2.85Å
431	E	93.9	Very high	94.6	Very high	42 Å²	42	30.8 Å²	30.8	20%	0.196	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	130.1	165.4	176.3	-179.2	-160.7	0	0	111.7	V414 R415 Y417 C433 K491	V414-E431 HydrophobicContact CG2-CB 3.93Å; R415-E431 HydrophobicContact CB-CB 4.24Å; R415-E431 PolarHBondContact O-N 2.8Å; Y417-E431 HydrophobicContact CE2-CB 3.88Å; E431-C433 PolarHBondContact O-N 3.23Å; E431-K491 WeakPolarHBondContact OE1-CE 3.36Å; E431-K491 IonicContact OE1-NZ 2.61Å; E431-K491 PolarHBondContact OE1-NZ 3.43Å; E431-K491 IonicContact OE2-NZ 3.24Å; E431-K491 PolarHBondContact OE2-NZ 2.86Å
432	A	94.4	Very high	94.6	Very high	21 Å²	21	25.9 Å²	25.9	17%	0.174	12%	0.12	C	C	.	.			trans	-79.6	111.9	174.7	0	0	0	0	0	110.9	L368 L430 L434	L368-A432 HydrophobicContact CD1-CB 4.02Å; L430-A432 PolarHBondContact O-N 2.85Å; A432-L434 HydrophobicContact CB-CD2 4.21Å; A432-L434 HydrophobicContact CB-CG 4.43Å
433	C	94.1	Very high	94.6	Very high	4 Å²	4	27 Å²	27	3%	0.027	12%	0.119	C	C	.	.			trans	-99.2	84.9	174.9	-61.2	0	0	0	0	109.9	E431 G435 L483 L484 F642	E431-C433 PolarHBondContact O-N 3.23Å; C433-G435 PolarHBondContact O-N 3.44Å; C433-G435 VanDerWaalsContact O-N 3.16Å; C433-L483 HydrophobicContact CB-CB 3.68Å; C433-L483 HydrophobicContact CB-CD1 3.91Å; C433-L483 HydrophobicContact CB-CG 4.47Å; C433-L484 CarbonylContact C-O 3.58Å; C433-L484 VanDerWaalsContact C-O 3.28Å; C433-L484 WeakPolarHBondContact CB-O 3.32Å; C433-F642 VanDerWaalsContact O-CZ 3.29Å; C433-F642 WeakPolarHBondContact O-CZ 3.47Å
434	L	94.1	Very high	94.4	Very high	10 Å²	10	24.1 Å²	24.1	5%	0.052	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	2.6	-168.1	-59	176.7	0	0	0	115.8	L368 A432 G436 I633 P636 N641	L368-L434 HydrophobicContact CD1-CD2 3.84Å; L368-L434 HydrophobicContact CD2-CD2 4.07Å; A432-L434 HydrophobicContact CB-CD2 4.21Å; A432-L434 HydrophobicContact CB-CG 4.43Å; L434-G436 VanDerWaalsContact C-N 3.27Å; L434-G436 PolarHBondContact O-N 3.08Å; L434-I633 HydrophobicContact CB-CD1 3.93Å; L434-I633 HydrophobicContact CB-CG1 4.49Å; L434-I633 HydrophobicContact CD1-CG2 4.41Å; L434-P636 WeakPolarHBondContact CD1-O 3.19Å; L434-N641 PolarHBondContact O-ND2 2.59Å; L434-N641 VanDerWaalsContact O-ND2 3.13Å
435	G	94	Very high	94.4	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.021	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.7	-179.3	0	0	0	0	0	114.7	C433 L484	C433-G435 PolarHBondContact O-N 3.44Å; C433-G435 VanDerWaalsContact O-N 3.16Å; G435-L484 WeakPolarHBondContact CA-O 3.31Å; G435-L484 PolarHBondContact N-O 3.17Å
436	G	93.5	Very high	94.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	14%	0.138	C	C	.	.			trans	86.5	176.5	179	0	0	0	0	0	114.1	L434 L483 L484 N641	L434-G436 VanDerWaalsContact C-N 3.27Å; L434-G436 PolarHBondContact O-N 3.08Å; G436-L483 WeakPolarHBondContact O-CA 3.4Å; G436-L484 PolarHBondContact O-N 2.63Å; G436-N641 WeakPolarHBondContact CA-O 3.38Å
437	E	94.2	Very high	94.3	Very high	25 Å²	25	31.3 Å²	31.3	12%	0.117	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-74.7	135.4	177.6	-65.3	170.4	-159	0	0	111.1	K47 W439 T440 L441 L483	K47-E437 WeakPolarHBondContact CE-OE2 3.26Å; K47-E437 VanDerWaalsContact NZ-CD 3.25Å; K47-E437 IonicContact NZ-OE1 3.52Å; K47-E437 PolarHBondContact NZ-OE1 3.45Å; K47-E437 IonicContact NZ-OE2 3.04Å; K47-E437 PolarHBondContact NZ-OE2 2.99Å; E437-W439 HydrophobicContact CB-CB 4.46Å; E437-W439 PolarHBondContact O-N 2.91Å; E437-T440 PolarHBondContact O-N 3.03Å; E437-L441 PolarHBondContact O-N 3.02Å; E437-L483 HydrophobicContact CB-CD2 4.16Å; E437-L483 HydrophobicContact CG-CD2 3.61Å
438	L	96.7	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-33.6	172.2	-174.7	69.4	0	0	0	111.2	L441 L442 F448 F456 C482 L490 F539 L543	L438-L441 PolarHBondContact O-N 2.92Å; L438-L442 WeakPolarHBondContact O-CB 3.4Å; L438-L442 PolarHBondContact O-N 3.47Å; L438-F448 HydrophobicContact CD1-CE2 3.7Å; L438-F448 HydrophobicContact CD1-CZ 3.93Å; L438-F448 HydrophobicContact CG-CE2 4.17Å; L438-F456 HydrophobicContact CD1-CD1 4.24Å; L438-F456 HydrophobicContact CD1-CD2 3.62Å; L438-F456 HydrophobicContact CD1-CE1 4.21Å; L438-F456 HydrophobicContact CD1-CE2 3.55Å; L438-F456 HydrophobicContact CD1-CG 3.97Å; L438-F456 HydrophobicContact CD1-CZ 3.87Å; L438-F456 HydrophobicContact CD2-CB 4.48Å; L438-C482 HydrophobicContact CB-CB 3.87Å; L438-C482 WeakPolarHBondContact CB-O 3.31Å; L438-C482 HydrophobicContact CD2-CB 4.02Å; L438-C482 PolarHBondContact N-O 3.04Å; L438-L490 HydrophobicContact CD2-CD1 3.8Å; L438-F539 HydrophobicContact CD2-CE2 4.11Å; L438-F539 HydrophobicContact CD2-CZ 3.61Å; L438-L543 HydrophobicContact CD2-CD2 4.01Å
439	W	94.5	Very high	94.2	Very high	15 Å²	15	34.1 Å²	34.1	6%	0.057	17%	0.173	C	C	.	.	H	α-helix	trans	-57.3	-46.8	175.3	-179.9	86.9	0	0	0	112.9	N45 K47 E437 L441 L442 R443 P479 E480	N45-W439 VanDerWaalsContact O-CZ2 3.29Å; N45-W439 WeakPolarHBondContact O-CZ2 3.34Å; K47-W439 HydrophobicContact CB-CH2 4.46Å; K47-W439 HydrophobicContact CB-CZ2 4.3Å; K47-W439 HydrophobicContact CD-CE3 4.17Å; K47-W439 HydrophobicContact CD-CH2 4.37Å; K47-W439 HydrophobicContact CD-CZ3 3.99Å; K47-W439 VanDerWaalsContact CE-CE3 3.48Å; K47-W439 HydrophobicContact CG-CD2 3.96Å; K47-W439 HydrophobicContact CG-CE3 3.73Å; K47-W439 HydrophobicContact CG-CH2 3.39Å; K47-W439 HydrophobicContact CG-CZ2 3.6Å; K47-W439 HydrophobicContact CG-CZ3 3.45Å; K47-W439 VanDerWaalsContact CG-CZ3 3.45Å; E437-W439 HydrophobicContact CB-CB 4.46Å; E437-W439 PolarHBondContact O-N 2.91Å; W439-L441 VanDerWaalsContact C-N 3.31Å; W439-L441 PolarHBondContact O-N 2.89Å; W439-L442 PolarHBondContact O-N 2.79Å; W439-R443 WeakPolarHBondContact O-CB 3.44Å; W439-R443 PolarHBondContact O-N 3.37Å; W439-P479 HydrophobicContact CB-CB 3.82Å; W439-P479 PolarHBondContact N-O 2.93Å; W439-E480 HydrophobicContact CB-CG 3.93Å; W439-E480 HydrophobicContact CD2-CG 4.38Å; W439-E480 HydrophobicContact CG-CG 3.75Å; W439-E480 PolarHBondContact NE1-OE1 2.71Å
440	T	92.2	Very high	94	Very high	15 Å²	15	36.4 Å²	36.4	9%	0.092	18%	0.183	C	C	.	.	H	α-helix	trans	-60.6	-44	178	-63.2	0	0	0	0	110.5	E437 L442 R443 D444	E437-T440 PolarHBondContact O-N 3.03Å; T440-L442 PolarHBondContact O-N 2.97Å; T440-R443 PolarHBondContact O-N 2.63Å; T440-D444 WeakPolarHBondContact O-CB 3.22Å; T440-D444 PolarHBondContact O-N 3.06Å
441	L	93.9	Very high	93.9	Very high	39 Å²	39	40.7 Å²	40.7	20%	0.204	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-40.4	175.9	-67.3	173.3	0	0	0	112.8	E437 L438 W439 R445 F448 L484 I629	E437-L441 PolarHBondContact O-N 3.02Å; L438-L441 PolarHBondContact O-N 2.92Å; W439-L441 VanDerWaalsContact C-N 3.31Å; W439-L441 PolarHBondContact O-N 2.89Å; L441-R445 WeakPolarHBondContact O-CB 3.03Å; L441-R445 WeakPolarHBondContact O-CG 3.43Å; L441-R445 PolarHBondContact O-N 3.22Å; L441-R445 VanDerWaalsContact O-N 3.12Å; L441-F448 HydrophobicContact CB-CE1 4.41Å; L441-F448 HydrophobicContact CB-CZ 4.04Å; L441-L484 HydrophobicContact CD1-CD1 3.35Å; L441-L484 HydrophobicContact CD1-CG 4.15Å; L441-I629 HydrophobicContact CD1-CG2 4.46Å
442	L	96	Very high	94	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-46.7	177.1	179.5	64.3	0	0	0	111	L438 W439 T440 D444 R445 G446 F448 P479 E542 L543	L438-L442 WeakPolarHBondContact O-CB 3.4Å; L438-L442 PolarHBondContact O-N 3.47Å; W439-L442 PolarHBondContact O-N 2.79Å; T440-L442 PolarHBondContact O-N 2.97Å; L442-D444 PolarHBondContact O-N 3Å; L442-R445 PolarHBondContact O-N 3.48Å; L442-G446 CarbonylContact O-C 3.59Å; L442-G446 WeakPolarHBondContact O-CA 3.39Å; L442-G446 PolarHBondContact O-N 2.95Å; L442-F448 HydrophobicContact CB-CE2 4.15Å; L442-F448 HydrophobicContact CB-CZ 3.95Å; L442-F448 HydrophobicContact CD1-CD2 4.05Å; L442-F448 HydrophobicContact CD1-CE2 4.05Å; L442-F448 HydrophobicContact CD1-CG 4.28Å; L442-F448 HydrophobicContact CD1-CZ 4.3Å; L442-P479 HydrophobicContact CD2-CG 4.15Å; L442-E542 HydrophobicContact CD2-CG 3.76Å; L442-L543 HydrophobicContact CD2-CD2 4.1Å
443	R	92.6	Very high	94.1	Very high	86 Å²	86	38 Å²	38	33%	0.325	19%	0.191	S	C	.	.	H	α-helix	trans	-56.1	-49.8	177	-179.8	-163.1	71	-163.7	1.7	111	W439 T440 R445 G446 D643	W439-R443 WeakPolarHBondContact O-CB 3.44Å; W439-R443 PolarHBondContact O-N 3.37Å; T440-R443 PolarHBondContact O-N 2.63Å; R443-R445 VanDerWaalsContact C-N 3.34Å; R443-R445 PolarHBondContact O-N 3.18Å; R443-G446 PolarHBondContact O-N 3.47Å; R443-D643 IonicContact NH1-OD1 3.53Å
444	D	92	Very high	94.2	Very high	104 Å²	104	39.9 Å²	39.9	56%	0.556	20%	0.197	S	C	*	.	H	α-helix	trans	-71.1	-30.3	-174.1	-65.6	-8.8	0	0	0	112.4	T440 L442	T440-D444 WeakPolarHBondContact O-CB 3.22Å; T440-D444 PolarHBondContact O-N 3.06Å; L442-D444 PolarHBondContact O-N 3Å
445	R	94	Very high	94.4	Very high	128 Å²	128	39.7 Å²	39.7	48%	0.483	20%	0.196	S	C	.	.	H	α-helix	trans	-88.5	-12	174.5	-65.6	-166.1	-177.7	-163.6	-2.9	113.9	L441 L442 R443 H447 F448	L441-R445 WeakPolarHBondContact O-CB 3.03Å; L441-R445 WeakPolarHBondContact O-CG 3.43Å; L441-R445 PolarHBondContact O-N 3.22Å; L441-R445 VanDerWaalsContact O-N 3.12Å; L442-R445 PolarHBondContact O-N 3.48Å; R443-R445 VanDerWaalsContact C-N 3.34Å; R443-R445 PolarHBondContact O-N 3.18Å; R445-H447 PolarHBondContact O-N 3.33Å; R445-F448 HydrophobicContact CB-CE1 4.39Å; R445-F448 HydrophobicContact CG-CE1 4.49Å
446	G	93.8	Very high	94.6	Very high	35 Å²	35	39.6 Å²	39.6	36%	0.361	20%	0.195	S	C	.	.	S	Bend	trans	75.7	-51.5	-171.4	0	0	0	0	0	113	L442 R443 G546	L442-G446 CarbonylContact O-C 3.59Å; L442-G446 WeakPolarHBondContact O-CA 3.39Å; L442-G446 PolarHBondContact O-N 2.95Å; R443-G446 PolarHBondContact O-N 3.47Å; G446-G546 WeakPolarHBondContact O-CA 3.35Å
447	H	93.5	Very high	94.8	Very high	82 Å²	82	39.6 Å²	39.6	38%	0.38	19%	0.194	S	C	.	.	S	Bend	trans	-153.1	166.8	173.1	64.1	81.8	0	0	0	110.8	R445	R445-H447 PolarHBondContact O-N 3.33Å
448	F	95.4	Very high	95	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.018	19%	0.189	C	C	.	.			trans	-98.7	154.4	171.5	-62.9	-35.9	0	0	0	111.8	L438 L441 L442 R445 T452 A453 F456 L543 I629	L438-F448 HydrophobicContact CD1-CE2 3.7Å; L438-F448 HydrophobicContact CD1-CZ 3.93Å; L438-F448 HydrophobicContact CG-CE2 4.17Å; L441-F448 HydrophobicContact CB-CE1 4.41Å; L441-F448 HydrophobicContact CB-CZ 4.04Å; L442-F448 HydrophobicContact CB-CE2 4.15Å; L442-F448 HydrophobicContact CB-CZ 3.95Å; L442-F448 HydrophobicContact CD1-CD2 4.05Å; L442-F448 HydrophobicContact CD1-CE2 4.05Å; L442-F448 HydrophobicContact CD1-CG 4.28Å; L442-F448 HydrophobicContact CD1-CZ 4.3Å; R445-F448 HydrophobicContact CB-CE1 4.39Å; R445-F448 HydrophobicContact CG-CE1 4.49Å; F448-T452 HydrophobicContact CB-CG2 3.89Å; F448-T452 HydrophobicContact CD1-CG2 3.9Å; F448-T452 HydrophobicContact CD2-CG2 4.16Å; F448-T452 HydrophobicContact CE1-CG2 4.5Å; F448-T452 HydrophobicContact CG-CG2 3.72Å; F448-A453 HydrophobicContact CB-CB 4.4Å; F448-F456 HydrophobicContact CD2-CD2 4.22Å; F448-F456 HydrophobicContact CD2-CE2 4.39Å; F448-F456 HydrophobicContact CE2-CD2 4.04Å; F448-F456 HydrophobicContact CE2-CE2 4.03Å; F448-F456 HydrophobicContact CZ-CE2 4.3Å; F448-L543 HydrophobicContact CD2-CB 4.11Å; F448-L543 HydrophobicContact CD2-CD1 4.32Å; F448-L543 HydrophobicContact CD2-CD2 3.95Å; F448-L543 HydrophobicContact CD2-CG 4.34Å; F448-L543 HydrophobicContact CE2-CD2 3.89Å; F448-L543 PolarHBondContact N-O 2.67Å; F448-I629 HydrophobicContact CE1-CD1 4.15Å
449	D	93.9	Very high	95.1	Very high	81 Å²	81	38.4 Å²	38.4	43%	0.433	19%	0.189	S	C	.	.			trans	-73.7	165.3	164.2	66.3	75.9	0	0	0	110.7	N451 T452 A453	D449-N451 VanDerWaalsContact C-N 3.3Å; D449-N451 PolarHBondContact O-N 3.25Å; D449-N451 WeakPolarHBondContact OD1-CA 3.41Å; D449-N451 WeakPolarHBondContact OD1-CB 3.1Å; D449-N451 PolarHBondContact OD1-N 3.02Å; D449-T452 PolarHBondContact O-N 3.19Å; D449-T452 PolarHBondContact OD1-N 3.41Å; D449-T452 PolarHBondContact OD1-OG1 2.99Å; D449-T452 PolarHBondContact OD2-OG1 3.31Å; D449-A453 WeakPolarHBondContact O-CB 3.19Å; D449-A453 PolarHBondContact O-N 3.48Å
450	E	91.5	Very high	95.3	Very high	48 Å²	48	37.7 Å²	37.7	22%	0.224	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-32.8	-177.1	-73.5	-152	-163.5	0	0	113.9	R454 L544 G577 W611	E450-R454 WeakPolarHBondContact O-CB 3.4Å; E450-R454 PolarHBondContact O-N 3.1Å; E450-R454 IonicContact OE2-NH2 2.66Å; E450-L544 HydrophobicContact CG-CD2 4.02Å; E450-G577 VanDerWaalsContact OE1-CA 3.28Å; E450-G577 WeakPolarHBondContact OE1-CA 3.35Å; E450-G577 PolarHBondContact OE1-N 2.95Å; E450-W611 PolarHBondContact OE2-NE1 3.11Å
451	N	92.8	Very high	95.6	Very high	108 Å²	108	37 Å²	37	58%	0.578	18%	0.182	S	C	*	.	H	α-helix	trans	-70.8	-44.7	-179.3	-67.3	-22.9	0	0	0	110.6	D449 R454 F455	D449-N451 VanDerWaalsContact C-N 3.3Å; D449-N451 PolarHBondContact O-N 3.25Å; D449-N451 WeakPolarHBondContact OD1-CA 3.41Å; D449-N451 WeakPolarHBondContact OD1-CB 3.1Å; D449-N451 PolarHBondContact OD1-N 3.02Å; N451-R454 PolarHBondContact O-N 2.94Å; N451-R454 PolarHBondContact OD1-NH1 3.4Å; N451-F455 PolarHBondContact O-N 2.68Å; N451-F455 VanDerWaalsContact O-N 3.12Å
452	T	96.5	Very high	95.7	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.043	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-49.7	175.2	-61.9	0	0	0	0	110.9	F448 D449 R454 F455 F456 P628 I629	F448-T452 HydrophobicContact CB-CG2 3.89Å; F448-T452 HydrophobicContact CD1-CG2 3.9Å; F448-T452 HydrophobicContact CD2-CG2 4.16Å; F448-T452 HydrophobicContact CE1-CG2 4.5Å; F448-T452 HydrophobicContact CG-CG2 3.72Å; D449-T452 PolarHBondContact O-N 3.19Å; D449-T452 PolarHBondContact OD1-N 3.41Å; D449-T452 PolarHBondContact OD1-OG1 2.99Å; D449-T452 PolarHBondContact OD2-OG1 3.31Å; T452-R454 PolarHBondContact O-N 2.62Å; T452-F455 PolarHBondContact O-N 3.4Å; T452-F456 HydrophobicContact CG2-CD2 3.98Å; T452-F456 HydrophobicContact CG2-CE2 3.51Å; T452-F456 HydrophobicContact CG2-CZ 4.45Å; T452-F456 VanDerWaalsContact O-CD2 3.31Å; T452-F456 WeakPolarHBondContact O-CD2 3.26Å; T452-F456 PolarHBondContact O-N 3.03Å; T452-P628 HydrophobicContact CG2-CB 4.25Å; T452-P628 HydrophobicContact CG2-CG 4.04Å; T452-I629 HydrophobicContact CG2-CD1 4.03Å; T452-I629 HydrophobicContact CG2-CG1 4.39Å
453	A	97.1	Very high	95.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-43.5	177.5	0	0	0	0	0	111.8	F448 D449 F455 F456 V457 L543 L544 W611	F448-A453 HydrophobicContact CB-CB 4.4Å; D449-A453 WeakPolarHBondContact O-CB 3.19Å; D449-A453 PolarHBondContact O-N 3.48Å; A453-F455 VanDerWaalsContact C-N 3.34Å; A453-F455 PolarHBondContact O-N 2.95Å; A453-F456 PolarHBondContact O-N 3.3Å; A453-V457 WeakPolarHBondContact O-CB 3.25Å; A453-V457 WeakPolarHBondContact O-CG2 3.18Å; A453-V457 PolarHBondContact O-N 3.15Å; A453-L543 HydrophobicContact CB-CB 4.05Å; A453-L543 HydrophobicContact CB-CD1 4.28Å; A453-L544 HydrophobicContact CB-CD2 3.62Å; A453-L544 HydrophobicContact CB-CG 4.2Å; A453-W611 HydrophobicContact CB-CH2 4.44Å; A453-W611 HydrophobicContact CB-CZ2 4.44Å
454	R	96.4	Very high	96.1	Very high	43 Å²	43	31.6 Å²	31.6	16%	0.162	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-41.5	179.4	-170.1	-173.4	-58	113.6	9.2	112.5	E450 N451 T452 A458 W611 F612 F615	E450-R454 WeakPolarHBondContact O-CB 3.4Å; E450-R454 PolarHBondContact O-N 3.1Å; E450-R454 IonicContact OE2-NH2 2.66Å; N451-R454 PolarHBondContact O-N 2.94Å; N451-R454 PolarHBondContact OD1-NH1 3.4Å; T452-R454 PolarHBondContact O-N 2.62Å; R454-A458 VanDerWaalsContact O-CB 3.3Å; R454-A458 WeakPolarHBondContact O-CB 3.13Å; R454-A458 PolarHBondContact O-N 3.22Å; R454-W611 HydrophobicContact CB-CH2 3.82Å; R454-W611 HydrophobicContact CB-CZ2 4.04Å; R454-W611 HydrophobicContact CB-CZ3 4.13Å; R454-W611 HydrophobicContact CG-CE3 4.28Å; R454-W611 HydrophobicContact CG-CH2 4.27Å; R454-W611 HydrophobicContact CG-CZ3 4.07Å; R454-W611 PolarHBondContact NE-O 3.1Å; R454-F612 HydrophobicContact CG-CD1 3.54Å; R454-F612 HydrophobicContact CG-CE1 3.61Å; R454-F615 HydrophobicContact CG-CD2 3.81Å; R454-F615 HydrophobicContact CG-CE2 4.2Å; R454-F615 HydrophobicContact CG-CG 4.45Å
455	F	97.9	Very high	96.3	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-51.2	176.5	-178.3	-88.2	0	0	0	111.9	N451 T452 A453 V457 A458 C459 H489 L620 L625 P627 P628	N451-F455 PolarHBondContact O-N 2.68Å; N451-F455 VanDerWaalsContact O-N 3.12Å; T452-F455 PolarHBondContact O-N 3.4Å; A453-F455 VanDerWaalsContact C-N 3.34Å; A453-F455 PolarHBondContact O-N 2.95Å; F455-V457 PolarHBondContact O-N 3.49Å; F455-A458 WeakPolarHBondContact O-CB 3.31Å; F455-A458 PolarHBondContact O-N 2.93Å; F455-C459 PolarHBondContact O-N 2.86Å; F455-C459 VanDerWaalsContact O-N 3.1Å; F455-H489 AromaticContact CZ-CD2 3.86Å; F455-L620 HydrophobicContact CD2-CD1 4.43Å; F455-L620 HydrophobicContact CE2-CD1 3.84Å; F455-L620 HydrophobicContact CZ-CD1 4.07Å; F455-L625 HydrophobicContact CD2-CD2 3.87Å; F455-L625 HydrophobicContact CD2-CG 4.28Å; F455-L625 HydrophobicContact CE2-CB 4.45Å; F455-L625 HydrophobicContact CE2-CD2 4Å; F455-L625 HydrophobicContact CE2-CG 4.1Å; F455-P627 HydrophobicContact CE1-CB 3.88Å; F455-P627 HydrophobicContact CE1-CG 4.25Å; F455-P627 HydrophobicContact CE2-CB 4.45Å; F455-P627 HydrophobicContact CE2-CG 4.43Å; F455-P627 HydrophobicContact CZ-CB 3.77Å; F455-P627 HydrophobicContact CZ-CG 3.72Å; F455-P628 HydrophobicContact CB-CG 3.95Å; F455-P628 HydrophobicContact CD1-CG 4.02Å; F455-P628 HydrophobicContact CG-CG 4.05Å
456	F	98.4	Very high	96.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.9	-40.1	-179.2	-65.7	-45.3	0	0	0	112.7	L438 F448 T452 A453 A458 C459 V460 L484 L490 L543 P628 I629	L438-F456 HydrophobicContact CD1-CD1 4.24Å; L438-F456 HydrophobicContact CD1-CD2 3.62Å; L438-F456 HydrophobicContact CD1-CE1 4.21Å; L438-F456 HydrophobicContact CD1-CE2 3.55Å; L438-F456 HydrophobicContact CD1-CG 3.97Å; L438-F456 HydrophobicContact CD1-CZ 3.87Å; L438-F456 HydrophobicContact CD2-CB 4.48Å; F448-F456 HydrophobicContact CD2-CD2 4.22Å; F448-F456 HydrophobicContact CD2-CE2 4.39Å; F448-F456 HydrophobicContact CE2-CD2 4.04Å; F448-F456 HydrophobicContact CE2-CE2 4.03Å; F448-F456 HydrophobicContact CZ-CE2 4.3Å; T452-F456 HydrophobicContact CG2-CD2 3.98Å; T452-F456 HydrophobicContact CG2-CE2 3.51Å; T452-F456 HydrophobicContact CG2-CZ 4.45Å; T452-F456 VanDerWaalsContact O-CD2 3.31Å; T452-F456 WeakPolarHBondContact O-CD2 3.26Å; T452-F456 PolarHBondContact O-N 3.03Å; A453-F456 PolarHBondContact O-N 3.3Å; F456-A458 VanDerWaalsContact C-N 3.3Å; F456-A458 PolarHBondContact O-N 3.09Å; F456-C459 WeakPolarHBondContact O-CB 3.12Å; F456-C459 PolarHBondContact O-N 3.28Å; F456-V460 WeakPolarHBondContact O-CG2 3.4Å; F456-V460 PolarHBondContact O-N 3.26Å; F456-V460 VanDerWaalsContact O-N 3.11Å; F456-L484 HydrophobicContact CD1-CD2 4.19Å; F456-L484 HydrophobicContact CE1-CD1 4.32Å; F456-L484 HydrophobicContact CE1-CD2 3.56Å; F456-L484 HydrophobicContact CZ-CD1 4.26Å; F456-L484 HydrophobicContact CZ-CD2 4.21Å; F456-L490 HydrophobicContact CB-CD1 3.83Å; F456-L490 HydrophobicContact CD1-CB 4.03Å; F456-L490 HydrophobicContact CD1-CD1 3.95Å; F456-L490 HydrophobicContact CG-CD1 4.17Å; F456-L543 HydrophobicContact CB-CD1 4.16Å; F456-P628 HydrophobicContact CE2-CG 4.44Å; F456-P628 HydrophobicContact CZ-CG 4.21Å; F456-I629 HydrophobicContact CE2-CD1 4.11Å; F456-I629 HydrophobicContact CZ-CB 4.44Å; F456-I629 HydrophobicContact CZ-CD1 4.14Å; F456-I629 HydrophobicContact CZ-CG1 4.4Å
457	V	98.4	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-40.1	174.3	176.4	0	0	0	0	110.3	A453 F455 C459 V460 V461 L536 F539 I540 L543 W611 F612	A453-V457 WeakPolarHBondContact O-CB 3.25Å; A453-V457 WeakPolarHBondContact O-CG2 3.18Å; A453-V457 PolarHBondContact O-N 3.15Å; F455-V457 PolarHBondContact O-N 3.49Å; V457-C459 PolarHBondContact O-N 3.03Å; V457-V460 PolarHBondContact O-N 3.31Å; V457-V461 HydrophobicContact CG1-CG2 4.36Å; V457-V461 VanDerWaalsContact O-CG2 3.3Å; V457-V461 WeakPolarHBondContact O-CG2 3.45Å; V457-V461 PolarHBondContact O-N 2.88Å; V457-L536 HydrophobicContact CG1-CD1 3.97Å; V457-L536 HydrophobicContact CG1-CG 4.5Å; V457-F539 HydrophobicContact CG2-CD1 4.03Å; V457-F539 HydrophobicContact CG2-CE1 4.08Å; V457-I540 HydrophobicContact CB-CG1 4.42Å; V457-I540 HydrophobicContact CG1-CD1 4.06Å; V457-I540 HydrophobicContact CG1-CG1 3.84Å; V457-I540 HydrophobicContact CG2-CG1 3.64Å; V457-L543 HydrophobicContact CG2-CD1 4.11Å; V457-W611 HydrophobicContact CB-CH2 4.22Å; V457-W611 HydrophobicContact CB-CZ3 4.02Å; V457-W611 HydrophobicContact CG1-CZ3 3.96Å; V457-W611 HydrophobicContact CG2-CH2 4.05Å; V457-W611 HydrophobicContact CG2-CZ3 4.27Å; V457-F612 HydrophobicContact CG1-CZ 3.88Å
458	A	98.2	Very high	96.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-38.1	177.2	0	0	0	0	0	113	R454 F455 F456 V461 E462 F612 F615 W617 L620	R454-A458 VanDerWaalsContact O-CB 3.3Å; R454-A458 WeakPolarHBondContact O-CB 3.13Å; R454-A458 PolarHBondContact O-N 3.22Å; F455-A458 WeakPolarHBondContact O-CB 3.31Å; F455-A458 PolarHBondContact O-N 2.93Å; F456-A458 VanDerWaalsContact C-N 3.3Å; F456-A458 PolarHBondContact O-N 3.09Å; A458-V461 PolarHBondContact O-N 2.78Å; A458-E462 PolarHBondContact O-N 2.81Å; A458-F612 HydrophobicContact CB-CE1 4.08Å; A458-F615 HydrophobicContact CB-CD1 4.28Å; A458-F615 HydrophobicContact CB-CE1 3.38Å; A458-F615 HydrophobicContact CB-CE2 4.23Å; A458-F615 HydrophobicContact CB-CZ 3.34Å; A458-W617 HydrophobicContact CB-CE3 4.41Å; A458-W617 HydrophobicContact CB-CH2 3.77Å; A458-W617 HydrophobicContact CB-CZ3 3.71Å; A458-L620 HydrophobicContact CB-CD2 3.49Å; A458-L620 VanDerWaalsContact CB-CD2 3.49Å
459	C	98.2	Very high	96.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.8	-45	170.9	-66	0	0	0	0	111.9	Y412 F455 F456 V457 V461 E462 A463 L490	Y412-C459 HydrophobicContact CD1-CB 3.89Å; Y412-C459 HydrophobicContact CE1-CB 4.26Å; F455-C459 PolarHBondContact O-N 2.86Å; F455-C459 VanDerWaalsContact O-N 3.1Å; F456-C459 WeakPolarHBondContact O-CB 3.12Å; F456-C459 PolarHBondContact O-N 3.28Å; V457-C459 PolarHBondContact O-N 3.03Å; C459-V461 VanDerWaalsContact C-N 3.34Å; C459-V461 PolarHBondContact O-N 3.3Å; C459-E462 PolarHBondContact O-N 3.48Å; C459-A463 PolarHBondContact O-N 2.68Å; C459-L490 HydrophobicContact CB-CB 3.78Å; C459-L490 HydrophobicContact CB-CD2 4.06Å; C459-L490 HydrophobicContact CB-CG 4.41Å
460	V	98.5	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.7	-40.9	176.7	172.9	0	0	0	0	111	F456 V457 E462 A463 L464 L477 L490 I492 L536 F539	F456-V460 WeakPolarHBondContact O-CG2 3.4Å; F456-V460 PolarHBondContact O-N 3.26Å; F456-V460 VanDerWaalsContact O-N 3.11Å; V457-V460 PolarHBondContact O-N 3.31Å; V460-E462 PolarHBondContact O-N 3.48Å; V460-A463 WeakPolarHBondContact O-CB 3.39Å; V460-A463 PolarHBondContact O-N 2.63Å; V460-L464 HydrophobicContact CG1-CD1 3.94Å; V460-L464 HydrophobicContact CG1-CG 4.1Å; V460-L464 WeakPolarHBondContact O-CB 3.4Å; V460-L464 WeakPolarHBondContact O-CG 3.33Å; V460-L464 PolarHBondContact O-N 2.85Å; V460-L477 HydrophobicContact CG1-CD1 3.67Å; V460-L477 HydrophobicContact CG1-CD2 3.73Å; V460-L477 HydrophobicContact CG1-CG 4.38Å; V460-L477 HydrophobicContact CG2-CD1 4.18Å; V460-L490 HydrophobicContact CG2-CD1 4.22Å; V460-L490 HydrophobicContact CG2-CD2 3.79Å; V460-I492 HydrophobicContact CG1-CD1 4.21Å; V460-L536 HydrophobicContact CB-CD1 4.27Å; V460-L536 HydrophobicContact CG1-CD1 3.67Å; V460-F539 HydrophobicContact CG2-CE1 3.97Å; V460-F539 HydrophobicContact CG2-CZ 4.11Å
461	V	98.1	Very high	96.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.9	-45.3	176.6	168.4	0	0	0	0	111.7	V457 A458 C459 A463 L464 E465 L536 F603 L606 W617	V457-V461 HydrophobicContact CG1-CG2 4.36Å; V457-V461 VanDerWaalsContact O-CG2 3.3Å; V457-V461 WeakPolarHBondContact O-CG2 3.45Å; V457-V461 PolarHBondContact O-N 2.88Å; A458-V461 PolarHBondContact O-N 2.78Å; C459-V461 VanDerWaalsContact C-N 3.34Å; C459-V461 PolarHBondContact O-N 3.3Å; V461-A463 VanDerWaalsContact C-N 3.33Å; V461-A463 PolarHBondContact O-N 2.8Å; V461-L464 PolarHBondContact O-N 2.88Å; V461-E465 WeakPolarHBondContact O-CB 3.5Å; V461-E465 PolarHBondContact O-N 3.4Å; V461-L536 HydrophobicContact CG2-CD2 3.8Å; V461-F603 HydrophobicContact CG1-CD1 3.94Å; V461-F603 HydrophobicContact CG1-CE1 4.42Å; V461-F603 WeakPolarHBondContact O-CE1 3.42Å; V461-L606 HydrophobicContact CB-CD2 4.5Å; V461-L606 HydrophobicContact CG1-CD2 4Å; V461-L606 HydrophobicContact CG2-CD2 3.66Å; V461-L606 HydrophobicContact CG2-CG 4.39Å; V461-W617 HydrophobicContact CB-CH2 4.02Å; V461-W617 HydrophobicContact CB-CZ3 4.11Å; V461-W617 HydrophobicContact CG1-CH2 3.78Å; V461-W617 HydrophobicContact CG1-CZ3 3.84Å; V461-W617 HydrophobicContact CG2-CH2 4.42Å
462	E	97.3	Very high	96.6	Very high	16 Å²	16	18.5 Å²	18.5	8%	0.075	8%	0.081	C	C	.	.	H	α-helix	trans	-66	-34.9	176	-68.9	-68.5	135.8	0	0	112.2	Y412 A458 C459 V460 Y466 R607 W617 L620 R621	Y412-E462 HydrophobicContact CD2-CB 3.42Å; Y412-E462 VanDerWaalsContact CD2-CB 3.42Å; Y412-E462 HydrophobicContact CD2-CG 4.34Å; Y412-E462 HydrophobicContact CE2-CB 3.57Å; Y412-E462 HydrophobicContact CE2-CG 3.99Å; Y412-E462 HydrophobicContact CG-CB 4.19Å; A458-E462 PolarHBondContact O-N 2.81Å; C459-E462 PolarHBondContact O-N 3.48Å; V460-E462 PolarHBondContact O-N 3.48Å; E462-Y466 WeakPolarHBondContact O-CB 3.5Å; E462-Y466 PolarHBondContact O-N 2.65Å; E462-Y466 VanDerWaalsContact O-N 3.14Å; E462-R607 IonicContact OE1-CZ 3.93Å; E462-R607 IonicContact OE1-NE 2.83Å; E462-R607 PolarHBondContact OE1-NE 3.33Å; E462-R607 IonicContact OE1-NH2 3.71Å; E462-R607 PolarHBondContact OE1-NH2 3.23Å; E462-R607 IonicContact OE2-NH2 3.71Å; E462-W617 HydrophobicContact CG-CE3 4.48Å; E462-W617 HydrophobicContact CG-CZ3 4.38Å; E462-L620 HydrophobicContact CG-CD2 4.2Å; E462-R621 VanDerWaalsContact CD-NE 3.34Å; E462-R621 IonicContact OE1-CZ 2.68Å; E462-R621 IonicContact OE1-NE 2.62Å; E462-R621 PolarHBondContact OE1-NE 2.6Å; E462-R621 IonicContact OE1-NH2 3.67Å; E462-R621 PolarHBondContact OE1-NH2 3.48Å; E462-R621 WeakPolarHBondContact OE2-CG 3.34Å; E462-R621 IonicContact OE2-NE 3.52Å; E462-R621 PolarHBondContact OE2-NE 3.48Å
463	A	98	Very high	96.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.4	-48.1	174.3	0	0	0	0	0	112.3	V413 C459 V460 V461 E465 Y466 L467 I492	V413-A463 HydrophobicContact CG2-CB 4.09Å; C459-A463 PolarHBondContact O-N 2.68Å; V460-A463 WeakPolarHBondContact O-CB 3.39Å; V460-A463 PolarHBondContact O-N 2.63Å; V461-A463 VanDerWaalsContact C-N 3.33Å; V461-A463 PolarHBondContact O-N 2.8Å; A463-E465 PolarHBondContact O-N 2.9Å; A463-Y466 WeakPolarHBondContact O-CB 3.38Å; A463-Y466 PolarHBondContact O-N 3.18Å; A463-L467 VanDerWaalsContact O-CG 3.31Å; A463-L467 WeakPolarHBondContact O-CG 3.47Å; A463-L467 PolarHBondContact O-N 3.31Å; A463-I492 HydrophobicContact CB-CD1 3.5Å; A463-I492 VanDerWaalsContact CB-CD1 3.5Å; A463-I492 HydrophobicContact CB-CG1 3.94Å
464	L	98.2	Very high	96.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.3	-43.2	178.3	-71	-179.9	0	0	0	111.3	V460 V461 Y466 L467 H468 L477 D532 F603	V460-L464 HydrophobicContact CG1-CD1 3.94Å; V460-L464 HydrophobicContact CG1-CG 4.1Å; V460-L464 WeakPolarHBondContact O-CB 3.4Å; V460-L464 WeakPolarHBondContact O-CG 3.33Å; V460-L464 PolarHBondContact O-N 2.85Å; V461-L464 PolarHBondContact O-N 2.88Å; L464-Y466 VanDerWaalsContact C-N 3.28Å; L464-Y466 PolarHBondContact O-N 3.01Å; L464-L467 PolarHBondContact O-N 3.37Å; L464-H468 WeakPolarHBondContact O-CB 3.44Å; L464-H468 PolarHBondContact O-CD2 3.12Å; L464-H468 VanDerWaalsContact O-CD2 3.31Å; L464-H468 VanDerWaalsContact O-CG 3.24Å; L464-H468 PolarHBondContact O-N 3.45Å; L464-L477 HydrophobicContact CD1-CD2 4.49Å; L464-D532 HydrophobicContact CD1-CB 4.18Å; L464-D532 HydrophobicContact CD2-CB 3.9Å; L464-F603 HydrophobicContact CB-CE1 3.92Å; L464-F603 HydrophobicContact CB-CZ 3.95Å
465	E	96.7	Very high	96.5	Very high	21 Å²	21	17.3 Å²	17.3	10%	0.098	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-41.3	175.9	-169.9	-171.3	-144.2	0	0	111.5	V461 A463 L467 K469 F603 R607	V461-E465 WeakPolarHBondContact O-CB 3.5Å; V461-E465 PolarHBondContact O-N 3.4Å; A463-E465 PolarHBondContact O-N 2.9Å; E465-L467 VanDerWaalsContact C-N 3.32Å; E465-L467 PolarHBondContact O-N 3.31Å; E465-K469 HydrophobicContact CG-CD 4.01Å; E465-K469 HydrophobicContact CG-CG 4.38Å; E465-K469 WeakPolarHBondContact O-CB 3.42Å; E465-K469 VanDerWaalsContact O-CG 3.31Å; E465-K469 WeakPolarHBondContact O-CG 3.27Å; E465-K469 PolarHBondContact O-N 3.39Å; E465-K469 WeakPolarHBondContact OE1-CE 3.32Å; E465-K469 IonicContact OE1-NZ 2.64Å; E465-K469 PolarHBondContact OE1-NZ 2.88Å; E465-K469 IonicContact OE2-NZ 3.83Å; E465-K469 PolarHBondContact OE2-NZ 2.89Å; E465-F603 HydrophobicContact CB-CB 4.48Å; E465-F603 HydrophobicContact CB-CD1 3.63Å; E465-F603 HydrophobicContact CB-CD2 3.88Å; E465-F603 HydrophobicContact CB-CE1 3.68Å; E465-F603 HydrophobicContact CB-CE2 3.94Å; E465-F603 HydrophobicContact CB-CG 3.72Å; E465-F603 HydrophobicContact CB-CZ 3.85Å; E465-F603 HydrophobicContact CG-CB 4.12Å; E465-F603 HydrophobicContact CG-CD1 4.14Å; E465-F603 HydrophobicContact CG-CD2 3.63Å; E465-F603 HydrophobicContact CG-CE1 4.5Å; E465-F603 HydrophobicContact CG-CE2 4.04Å; E465-F603 HydrophobicContact CG-CG 3.68Å; E465-F603 HydrophobicContact CG-CZ 4.46Å; E465-F603 VanDerWaalsContact N-CE1 3.35Å; E465-F603 VanDerWaalsContact N-CZ 3.26Å; E465-R607 IonicContact OE1-CZ 2.72Å; E465-R607 IonicContact OE1-NH1 3.83Å; E465-R607 PolarHBondContact OE1-NH1 2.74Å; E465-R607 IonicContact OE1-NH2 2.81Å; E465-R607 IonicContact OE2-CZ 2.63Å; E465-R607 IonicContact OE2-NH1 3.82Å; E465-R607 IonicContact OE2-NH2 3.96Å; E465-R607 PolarHBondContact OE2-NH2 2.77Å
466	Y	96.3	Very high	96.4	Very high	12 Å²	12	17.3 Å²	17.3	5%	0.047	8%	0.076	C	C	.	.	H	α-helix	trans	-59.9	-42	177.6	175.7	-87.4	0	0	0	112.5	F408 R409 V413 E462 A463 L464 R470	F408-Y466 HydrophobicContact CB-CE1 4.18Å; F408-Y466 AromaticContact CD1-CE1 3.94Å; F408-Y466 HydrophobicContact CD1-CE1 3.94Å; F408-Y466 HydrophobicContact CG-CE1 4.27Å; R409-Y466 PolarHBondContact N-OH 3.36Å; R409-Y466 VanDerWaalsContact O-CE2 3.26Å; R409-Y466 WeakPolarHBondContact O-CE2 3.45Å; R409-Y466 PolarHBondContact O-OH 3.29Å; V413-Y466 HydrophobicContact CG2-CD1 4.38Å; E462-Y466 WeakPolarHBondContact O-CB 3.5Å; E462-Y466 PolarHBondContact O-N 2.65Å; E462-Y466 VanDerWaalsContact O-N 3.14Å; A463-Y466 WeakPolarHBondContact O-CB 3.38Å; A463-Y466 PolarHBondContact O-N 3.18Å; L464-Y466 VanDerWaalsContact C-N 3.28Å; L464-Y466 PolarHBondContact O-N 3.01Å; Y466-R470 VanDerWaalsContact CD2-NH1 3.32Å; Y466-R470 PolarHBondContact O-NH1 3.08Å; Y466-R470 VanDerWaalsContact OH-CZ 3.23Å; Y466-R470 PolarHBondContact OH-NE 2.72Å; Y466-R470 VanDerWaalsContact OH-NE 3.09Å; Y466-R470 PolarHBondContact OH-NH2 3.44Å
467	L	96.9	Very high	96.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-72.9	-47.7	179.3	-65.8	171.4	0	0	0	111.5	F408 V413 A463 L464 E465 K469 R470 L471 V472 Y474 F495	F408-L467 HydrophobicContact CD1-CD2 4.19Å; F408-L467 HydrophobicContact CD2-CD2 4.19Å; F408-L467 HydrophobicContact CE1-CD2 3.73Å; F408-L467 HydrophobicContact CE2-CD2 3.75Å; F408-L467 HydrophobicContact CG-CD2 4.42Å; F408-L467 HydrophobicContact CZ-CD2 3.49Å; F408-L467 VanDerWaalsContact CZ-CD2 3.49Å; V413-L467 HydrophobicContact CG2-CD2 4.44Å; V413-L467 HydrophobicContact CG2-CG 4.48Å; A463-L467 VanDerWaalsContact O-CG 3.31Å; A463-L467 WeakPolarHBondContact O-CG 3.47Å; A463-L467 PolarHBondContact O-N 3.31Å; L464-L467 PolarHBondContact O-N 3.37Å; E465-L467 VanDerWaalsContact C-N 3.32Å; E465-L467 PolarHBondContact O-N 3.31Å; L467-K469 VanDerWaalsContact C-N 3.35Å; L467-K469 PolarHBondContact O-N 2.9Å; L467-R470 CarbonylContact O-C 3.52Å; L467-R470 WeakPolarHBondContact O-CA 3.36Å; L467-R470 WeakPolarHBondContact O-CB 3.5Å; L467-R470 PolarHBondContact O-N 2.95Å; L467-L471 PolarHBondContact O-N 2.92Å; L467-V472 CarbonylContact C-O 3.52Å; L467-V472 HydrophobicContact CB-CB 4.21Å; L467-V472 HydrophobicContact CD2-CB 4.44Å; L467-V472 HydrophobicContact CD2-CG1 4.33Å; L467-V472 PolarHBondContact O-N 3.46Å; L467-Y474 HydrophobicContact CD1-CD2 4.39Å; L467-Y474 HydrophobicContact CD1-CG 4.5Å; L467-F495 HydrophobicContact CD1-CE1 3.84Å; L467-F495 HydrophobicContact CD1-CZ 4.47Å; L467-F495 HydrophobicContact CD2-CE1 3.8Å; L467-F495 HydrophobicContact CG-CE1 4.49Å
468	H	94.8	Very high	96.3	Very high	24 Å²	24	17.8 Å²	17.8	11%	0.111	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-40	-179.6	-70	-168.6	0	0	0	111.7	L464 R470 L471 V472 H529 D532 F533 F603	L464-H468 WeakPolarHBondContact O-CB 3.44Å; L464-H468 PolarHBondContact O-CD2 3.12Å; L464-H468 VanDerWaalsContact O-CD2 3.31Å; L464-H468 VanDerWaalsContact O-CG 3.24Å; L464-H468 PolarHBondContact O-N 3.45Å; H468-R470 PolarHBondContact O-N 2.89Å; H468-R470 VanDerWaalsContact O-N 3.1Å; H468-L471 PolarHBondContact O-N 3.48Å; H468-V472 PolarHBondContact CD2-O 3.43Å; H468-H529 AromaticContact CD2-CD2 3.55Å; H468-H529 PolarHBondContact CE1-O 3.27Å; H468-H529 VanDerWaalsContact CE1-O 3.32Å; H468-H529 AromaticContact CG-CD2 3.89Å; H468-D532 IonicContact CD2-OD2 3.66Å; H468-D532 IonicContact CE1-OD2 3.8Å; H468-D532 IonicContact NE2-OD2 2.7Å; H468-D532 PolarHBondContact NE2-OD2 2.86Å; H468-F533 AromaticContact CE1-CZ 3.94Å; H468-F533 AromaticContact ND1-CZ 3.81Å; H468-F603 HydrophobicContact CB-CE2 4.04Å; H468-F603 HydrophobicContact CB-CZ 4.38Å; H468-F603 AromaticContact ND1-CE2 3.52Å; H468-F603 AromaticContact ND1-CZ 3.42Å; H468-F603 WeakPolarHBondContact ND1-CZ 3.37Å
469	K	92.4	Very high	96.2	Very high	131 Å²	131	17.8 Å²	17.8	57%	0.57	8%	0.078	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.4	172	-76.6	177.7	-179.8	166.6	0	113.6	E465 L467	E465-K469 HydrophobicContact CG-CD 4.01Å; E465-K469 HydrophobicContact CG-CG 4.38Å; E465-K469 WeakPolarHBondContact O-CB 3.42Å; E465-K469 VanDerWaalsContact O-CG 3.31Å; E465-K469 WeakPolarHBondContact O-CG 3.27Å; E465-K469 PolarHBondContact O-N 3.39Å; E465-K469 WeakPolarHBondContact OE1-CE 3.32Å; E465-K469 IonicContact OE1-NZ 2.64Å; E465-K469 PolarHBondContact OE1-NZ 2.88Å; E465-K469 IonicContact OE2-NZ 3.83Å; E465-K469 PolarHBondContact OE2-NZ 2.89Å; L467-K469 VanDerWaalsContact C-N 3.35Å; L467-K469 PolarHBondContact O-N 2.9Å
470	R	92	Very high	96	Very high	76 Å²	76	18.6 Å²	18.6	29%	0.287	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	15.4	174.1	-76.5	170.4	-179.7	65.5	7.7	112.6	Y466 L467 H468 V472 R500	Y466-R470 VanDerWaalsContact CD2-NH1 3.32Å; Y466-R470 PolarHBondContact O-NH1 3.08Å; Y466-R470 VanDerWaalsContact OH-CZ 3.23Å; Y466-R470 PolarHBondContact OH-NE 2.72Å; Y466-R470 VanDerWaalsContact OH-NE 3.09Å; Y466-R470 PolarHBondContact OH-NH2 3.44Å; L467-R470 CarbonylContact O-C 3.52Å; L467-R470 WeakPolarHBondContact O-CA 3.36Å; L467-R470 WeakPolarHBondContact O-CB 3.5Å; L467-R470 PolarHBondContact O-N 2.95Å; H468-R470 PolarHBondContact O-N 2.89Å; H468-R470 VanDerWaalsContact O-N 3.1Å; R470-V472 HydrophobicContact CB-CG2 4.33Å; R470-V472 PolarHBondContact O-N 3.35Å; R470-R500 PolarHBondContact O-NH1 2.92Å
471	L	92.5	Very high	95.9	Very high	52 Å²	52	19.2 Å²	19.2	27%	0.272	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	27.1	-179.7	-50.5	179.1	0	0	0	112.4	L467 H468 R500 L501 P503 H529	L467-L471 PolarHBondContact O-N 2.92Å; H468-L471 PolarHBondContact O-N 3.48Å; L471-R500 HydrophobicContact CB-CG 4.3Å; L471-R500 CarbonylContact O-C 3.52Å; L471-R500 VanDerWaalsContact O-CA 3.28Å; L471-R500 WeakPolarHBondContact O-CA 3.45Å; L471-L501 WeakPolarHBondContact CB-O 3.04Å; L471-L501 PolarHBondContact O-N 2.71Å; L471-P503 HydrophobicContact CD2-CG 3.9Å; L471-H529 VanDerWaalsContact C-NE2 3.33Å
472	V	95.1	Very high	95.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.5	179.3	-178.9	0	0	0	0	109.8	L404 F408 L467 H468 R470 A498 K499 H529	L404-V472 HydrophobicContact CD1-CG1 4.26Å; L404-V472 HydrophobicContact CD2-CG2 3.73Å; F408-V472 HydrophobicContact CE1-CG2 4.1Å; F408-V472 HydrophobicContact CZ-CB 4.49Å; F408-V472 HydrophobicContact CZ-CG1 4.11Å; F408-V472 HydrophobicContact CZ-CG2 4.13Å; L467-V472 CarbonylContact C-O 3.52Å; L467-V472 HydrophobicContact CB-CB 4.21Å; L467-V472 HydrophobicContact CD2-CB 4.44Å; L467-V472 HydrophobicContact CD2-CG1 4.33Å; L467-V472 PolarHBondContact O-N 3.46Å; H468-V472 PolarHBondContact CD2-O 3.43Å; R470-V472 HydrophobicContact CB-CG2 4.33Å; R470-V472 PolarHBondContact O-N 3.35Å; V472-A498 HydrophobicContact CG1-CB 4.09Å; V472-K499 WeakPolarHBondContact CA-O 3.37Å; V472-H529 PolarHBondContact O-CD2 3.47Å
473	I	95.9	Very high	95.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.7	166.5	-172	-177.4	0	0	0	109.2	R475 A498 K499 D528 H529 A531 D532	I473-R475 HydrophobicContact CB-CG 4.37Å; I473-R475 HydrophobicContact CD1-CG 3.45Å; I473-R475 VanDerWaalsContact CD1-CG 3.45Å; I473-R475 HydrophobicContact CG1-CG 3.55Å; I473-R475 HydrophobicContact CG2-CG 4.09Å; I473-A498 CarbonylContact O-C 3.59Å; I473-A498 WeakPolarHBondContact O-CA 3.5Å; I473-K499 HydrophobicContact CG2-CB 4.09Å; I473-K499 WeakPolarHBondContact CG2-O 3.37Å; I473-K499 PolarHBondContact N-O 3.37Å; I473-K499 PolarHBondContact O-N 3.43Å; I473-D528 WeakPolarHBondContact CD1-O 3.15Å; I473-H529 PolarHBondContact N-NE2 3.18Å; I473-A531 HydrophobicContact CD1-CB 4.35Å; I473-D532 WeakPolarHBondContact CG1-OD2 3.48Å
474	Y	97.1	Very high	95.8	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	9%	0.089	C	C	.	.			trans	-90.4	-50.3	-174.6	-178.7	-117.4	0	0	0	113.9	L467 D476 L477 N481 I492 V493 D494 F495 F497 A498 D532	L467-Y474 HydrophobicContact CD1-CD2 4.39Å; L467-Y474 HydrophobicContact CD1-CG 4.5Å; Y474-D476 VanDerWaalsContact C-N 3.32Å; Y474-D476 WeakPolarHBondContact CE1-O 3.21Å; Y474-D476 PolarHBondContact O-N 3.42Å; Y474-L477 HydrophobicContact CD1-CB 4.09Å; Y474-L477 HydrophobicContact CE1-CB 4.15Å; Y474-L477 VanDerWaalsContact CE1-N 3.34Å; Y474-N481 WeakPolarHBondContact OH-CB 3.38Å; Y474-N481 PolarHBondContact OH-ND2 2.94Å; Y474-I492 HydrophobicContact CD1-CG2 4.46Å; Y474-I492 HydrophobicContact CD2-CG2 4.15Å; Y474-I492 HydrophobicContact CE1-CG2 3.81Å; Y474-I492 HydrophobicContact CE2-CG2 3.46Å; Y474-I492 VanDerWaalsContact CE2-CG2 3.46Å; Y474-I492 WeakPolarHBondContact OH-CG2 3.34Å; Y474-V493 PolarHBondContact OH-O 2.86Å; Y474-D494 WeakPolarHBondContact CE2-O 3.47Å; Y474-D494 PolarHBondContact OH-O 3.23Å; Y474-F495 AromaticContact CD2-CD1 3.89Å; Y474-F495 HydrophobicContact CD2-CD1 3.89Å; Y474-F495 AromaticContact CD2-CE1 3.77Å; Y474-F495 HydrophobicContact CD2-CE1 3.77Å; Y474-F495 HydrophobicContact CD2-CZ 4.45Å; Y474-F495 HydrophobicContact CE2-CD1 4.01Å; Y474-F495 AromaticContact CE2-CE1 3.95Å; Y474-F495 HydrophobicContact CE2-CE1 3.95Å; Y474-F495 HydrophobicContact CE2-CG 4.39Å; Y474-F495 HydrophobicContact CE2-CZ 4.26Å; Y474-F497 CarbonylContact O-C 3.57Å; Y474-A498 PolarHBondContact O-N 3.24Å; Y474-D532 PolarHBondContact N-OD1 3.49Å; Y474-D532 PolarHBondContact N-OD2 2.81Å
475	R	95.9	Very high	95.6	Very high	23 Å²	23	20.4 Å²	20.4	9%	0.087	9%	0.092	C	C	.	.			trans	67.4	-0.8	172.5	-54.7	-170.7	-74.4	173.6	7.1	118.9	I473 F497 C511 G512 D532	I473-R475 HydrophobicContact CB-CG 4.37Å; I473-R475 HydrophobicContact CD1-CG 3.45Å; I473-R475 VanDerWaalsContact CD1-CG 3.45Å; I473-R475 HydrophobicContact CG1-CG 3.55Å; I473-R475 HydrophobicContact CG2-CG 4.09Å; R475-F497 HydrophobicContact CB-CB 4.16Å; R475-F497 PolarHBondContact NE-O 3.07Å; R475-F497 PolarHBondContact NH2-O 3.27Å; R475-C511 PolarHBondContact NH1-SG 3.02Å; R475-G512 WeakPolarHBondContact O-CA 3.46Å; R475-D532 PolarHBondContact N-OD1 3.31Å
476	D	95.6	Very high	95.4	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.043	11%	0.11	C	C	.	.			trans	-134.5	41.7	175.4	-151.5	32	0	0	0	113.5	Y474 K478 N481 F497 T513	Y474-D476 VanDerWaalsContact C-N 3.32Å; Y474-D476 WeakPolarHBondContact CE1-O 3.21Å; Y474-D476 PolarHBondContact O-N 3.42Å; D476-K478 PolarHBondContact O-N 3.19Å; D476-K478 IonicContact OD1-NZ 2.82Å; D476-K478 PolarHBondContact OD1-NZ 3.08Å; D476-K478 WeakPolarHBondContact OD2-CE 3.28Å; D476-K478 IonicContact OD2-NZ 2.69Å; D476-K478 PolarHBondContact OD2-NZ 2.81Å; D476-N481 PolarHBondContact O-ND2 3.39Å; D476-N481 PolarHBondContact OD2-ND2 3.24Å; D476-F497 HydrophobicContact CB-CB 4.44Å; D476-F497 HydrophobicContact CB-CD2 3.65Å; D476-F497 HydrophobicContact CB-CE2 4.32Å; D476-F497 HydrophobicContact CB-CG 4.45Å; D476-T513 PolarHBondContact OD1-N 2.8Å; D476-T513 PolarHBondContact OD1-OG1 3.37Å
477	L	97.9	Very high	95.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.126	C	C	.	.			trans	-67.5	120.1	176.2	179.3	63.8	0	0	0	111	V460 L464 Y474 Y516 A535 L536 F539	V460-L477 HydrophobicContact CG1-CD1 3.67Å; V460-L477 HydrophobicContact CG1-CD2 3.73Å; V460-L477 HydrophobicContact CG1-CG 4.38Å; V460-L477 HydrophobicContact CG2-CD1 4.18Å; L464-L477 HydrophobicContact CD1-CD2 4.49Å; Y474-L477 HydrophobicContact CD1-CB 4.09Å; Y474-L477 HydrophobicContact CE1-CB 4.15Å; Y474-L477 VanDerWaalsContact CE1-N 3.34Å; L477-Y516 WeakPolarHBondContact O-CD1 3.37Å; L477-Y516 WeakPolarHBondContact O-CE1 3.48Å; L477-Y516 VanDerWaalsContact O-CG 3.31Å; L477-A535 HydrophobicContact CB-CB 4Å; L477-A535 HydrophobicContact CD2-CB 4.4Å; L477-L536 HydrophobicContact CD2-CB 4.15Å; L477-L536 HydrophobicContact CD2-CD1 4.02Å; L477-F539 HydrophobicContact CD1-CD2 4.24Å; L477-F539 HydrophobicContact CD1-CE2 4.4Å; L477-F539 HydrophobicContact CD2-CB 4.11Å; L477-F539 HydrophobicContact CD2-CG 4.34Å; L477-F539 HydrophobicContact CG-CB 4.33Å; L477-F539 HydrophobicContact CG-CD2 4.2Å; L477-F539 HydrophobicContact CG-CG 4.33Å
478	K	96.6	Very high	95.1	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.035	13%	0.126	C	C	.	.	S	Bend	trans	-164.2	160.7	174.4	60.1	-174.5	163.3	-164.7	0	110.2	D476 E480 N481 C482 T513 Y516	D476-K478 PolarHBondContact O-N 3.19Å; D476-K478 IonicContact OD1-NZ 2.82Å; D476-K478 PolarHBondContact OD1-NZ 3.08Å; D476-K478 WeakPolarHBondContact OD2-CE 3.28Å; D476-K478 IonicContact OD2-NZ 2.69Å; D476-K478 PolarHBondContact OD2-NZ 2.81Å; K478-E480 WeakPolarHBondContact CB-OE2 3.44Å; K478-E480 HydrophobicContact CD-CB 4.11Å; K478-E480 HydrophobicContact CG-CB 4.1Å; K478-E480 WeakPolarHBondContact CG-OE2 3.17Å; K478-E480 PolarHBondContact O-N 2.9Å; K478-N481 VanDerWaalsContact CE-CG 3.47Å; K478-N481 VanDerWaalsContact CE-ND2 3.27Å; K478-N481 WeakPolarHBondContact CE-ND2 3.44Å; K478-N481 WeakPolarHBondContact CE-OD1 3.44Å; K478-N481 HydrophobicContact CG-CB 4.22Å; K478-N481 PolarHBondContact O-N 2.81Å; K478-N481 VanDerWaalsContact O-N 3.08Å; K478-C482 PolarHBondContact O-SG 2.96Å; K478-C482 VanDerWaalsContact O-SG 3.39Å; K478-T513 HydrophobicContact CD-CG2 4.34Å; K478-T513 WeakPolarHBondContact CD-OG1 3.37Å; K478-T513 PolarHBondContact NZ-OG1 2.93Å; K478-Y516 HydrophobicContact CB-CD2 4.23Å; K478-Y516 HydrophobicContact CB-CE1 4.4Å; K478-Y516 HydrophobicContact CB-CE2 3.73Å
479	P	96.9	Very high	95.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-55.5	-30.6	177.7	-28.5	35.7	0	0	0	114.4	W439 L442 N481 C482 Y516 F539 E542 L543	W439-P479 HydrophobicContact CB-CB 3.82Å; W439-P479 PolarHBondContact N-O 2.93Å; L442-P479 HydrophobicContact CD2-CG 4.15Å; P479-N481 VanDerWaalsContact C-N 3.28Å; P479-N481 PolarHBondContact O-N 3.4Å; P479-C482 PolarHBondContact O-N 3.32Å; P479-Y516 WeakPolarHBondContact CD-OH 3.47Å; P479-F539 HydrophobicContact CG-CD2 4.23Å; P479-F539 HydrophobicContact CG-CE2 3.97Å; P479-E542 HydrophobicContact CG-CG 4.3Å; P479-L543 HydrophobicContact CG-CD2 4.25Å
480	E	93.8	Very high	95.4	Very high	18 Å²	18	17.6 Å²	17.6	8%	0.084	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-65.4	-31.2	178.4	-63.2	88.8	152.5	0	0	112.2	K47 K48 W439 K478 C482	K47-E480 HydrophobicContact CB-CG 4.47Å; K48-E480 WeakPolarHBondContact CB-OE1 3.2Å; K48-E480 PolarHBondContact N-OE1 3.46Å; W439-E480 HydrophobicContact CB-CG 3.93Å; W439-E480 HydrophobicContact CD2-CG 4.38Å; W439-E480 HydrophobicContact CG-CG 3.75Å; W439-E480 PolarHBondContact NE1-OE1 2.71Å; K478-E480 WeakPolarHBondContact CB-OE2 3.44Å; K478-E480 HydrophobicContact CD-CB 4.11Å; K478-E480 HydrophobicContact CG-CB 4.1Å; K478-E480 WeakPolarHBondContact CG-OE2 3.17Å; K478-E480 PolarHBondContact O-N 2.9Å; E480-C482 VanDerWaalsContact C-N 3.3Å
481	N	95.9	Very high	95.7	Very high	12 Å²	12	14.4 Å²	14.4	6%	0.064	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-94.8	17.9	178.5	-67.1	-5.6	0	0	0	112.8	Y474 D476 K478 P479 V493	Y474-N481 WeakPolarHBondContact OH-CB 3.38Å; Y474-N481 PolarHBondContact OH-ND2 2.94Å; D476-N481 PolarHBondContact O-ND2 3.39Å; D476-N481 PolarHBondContact OD2-ND2 3.24Å; K478-N481 VanDerWaalsContact CE-CG 3.47Å; K478-N481 VanDerWaalsContact CE-ND2 3.27Å; K478-N481 WeakPolarHBondContact CE-ND2 3.44Å; K478-N481 WeakPolarHBondContact CE-OD1 3.44Å; K478-N481 HydrophobicContact CG-CB 4.22Å; K478-N481 PolarHBondContact O-N 2.81Å; K478-N481 VanDerWaalsContact O-N 3.08Å; P479-N481 VanDerWaalsContact C-N 3.28Å; P479-N481 PolarHBondContact O-N 3.4Å; N481-V493 HydrophobicContact CB-CG2 4.42Å; N481-V493 WeakPolarHBondContact O-CG2 3.18Å; N481-V493 PolarHBondContact O-N 2.71Å
482	C	97.6	Very high	96	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.2	176	-65	0	0	0	0	109.3	L438 K478 P479 E480 L490	L438-C482 HydrophobicContact CB-CB 3.87Å; L438-C482 WeakPolarHBondContact CB-O 3.31Å; L438-C482 HydrophobicContact CD2-CB 4.02Å; L438-C482 PolarHBondContact N-O 3.04Å; K478-C482 PolarHBondContact O-SG 2.96Å; K478-C482 VanDerWaalsContact O-SG 3.39Å; P479-C482 PolarHBondContact O-N 3.32Å; E480-C482 VanDerWaalsContact C-N 3.3Å; C482-L490 HydrophobicContact CB-CD1 3.8Å; C482-L490 HydrophobicContact CB-CD2 4.2Å; C482-L490 HydrophobicContact CB-CG 3.95Å
483	L	97.2	Very high	96	Very high	30 Å²	30	13 Å²	13	16%	0.157	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	151.3	175.1	-61.3	-171.9	0	0	0	111	C433 G436 E437 L490 K491 V493	C433-L483 HydrophobicContact CB-CB 3.68Å; C433-L483 HydrophobicContact CB-CD1 3.91Å; C433-L483 HydrophobicContact CB-CG 4.47Å; G436-L483 WeakPolarHBondContact O-CA 3.4Å; E437-L483 HydrophobicContact CB-CD2 4.16Å; E437-L483 HydrophobicContact CG-CD2 3.61Å; L483-L490 CarbonylContact O-C 3.52Å; L483-L490 WeakPolarHBondContact O-CA 3.36Å; L483-K491 PolarHBondContact N-O 3.32Å; L483-K491 PolarHBondContact O-N 2.88Å; L483-V493 HydrophobicContact CB-CG1 4.19Å; L483-V493 HydrophobicContact CD1-CG1 3.72Å; L483-V493 HydrophobicContact CD1-CG2 4.46Å; L483-V493 HydrophobicContact CG-CG1 3.72Å; L483-V493 HydrophobicContact CG-CG2 4.09Å
484	L	97.1	Very high	95.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.5	167.6	-57.3	-168	0	0	0	110.5	C433 G435 G436 L441 F456 H489 L490 P631	C433-L484 CarbonylContact C-O 3.58Å; C433-L484 VanDerWaalsContact C-O 3.28Å; C433-L484 WeakPolarHBondContact CB-O 3.32Å; G435-L484 WeakPolarHBondContact CA-O 3.31Å; G435-L484 PolarHBondContact N-O 3.17Å; G436-L484 PolarHBondContact O-N 2.63Å; L441-L484 HydrophobicContact CD1-CD1 3.35Å; L441-L484 HydrophobicContact CD1-CG 4.15Å; F456-L484 HydrophobicContact CD1-CD2 4.19Å; F456-L484 HydrophobicContact CE1-CD1 4.32Å; F456-L484 HydrophobicContact CE1-CD2 3.56Å; F456-L484 HydrophobicContact CZ-CD1 4.26Å; F456-L484 HydrophobicContact CZ-CD2 4.21Å; L484-H489 CarbonylContact C-O 3.57Å; L484-H489 WeakPolarHBondContact CA-O 3.43Å; L484-L490 HydrophobicContact CD2-CB 4Å; L484-P631 HydrophobicContact CB-CG 4.25Å; L484-P631 HydrophobicContact CD1-CG 4.19Å
485	D	93.6	Very high	95.5	Very high	11 Å²	11	16 Å²	16	6%	0.059	9%	0.093	C	C	.	.			trans	-80.3	179	167.1	77.3	13.1	0	0	0	111.7	T487 G488 H489 R623	D485-T487 PolarHBondContact O-N 3Å; D485-T487 VanDerWaalsContact O-N 3.08Å; D485-T487 WeakPolarHBondContact OD1-CA 3.33Å; D485-T487 WeakPolarHBondContact OD1-CB 3.22Å; D485-T487 PolarHBondContact OD1-N 3.05Å; D485-T487 PolarHBondContact OD1-OG1 3.1Å; D485-G488 PolarHBondContact O-N 2.72Å; D485-G488 PolarHBondContact OD1-N 2.76Å; D485-H489 PolarHBondContact N-O 2.82Å; D485-H489 PolarHBondContact OD1-N 3.19Å; D485-H489 VanDerWaalsContact OD1-N 3.09Å; D485-R623 IonicContact OD1-NH2 2.65Å; D485-R623 IonicContact OD2-CZ 2.94Å; D485-R623 IonicContact OD2-NH1 3.54Å; D485-R623 IonicContact OD2-NH2 3.11Å; D485-R623 PolarHBondContact OD2-NH2 3.47Å
486	A	92	Very high	95.1	Very high	58 Å²	58	15.9 Å²	15.9	48%	0.479	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.7	-176.9	0	0	0	0	0	114.7	I633	A486-I633 VanDerWaalsContact CA-CD1 3.47Å; A486-I633 HydrophobicContact CB-CD1 3.7Å
487	T	92.5	Very high	94.9	Very high	65 Å²	65	17.2 Å²	17.2	40%	0.399	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-8.3	176.6	70.5	0	0	0	0	112.6	D485 H489 R623 P627	D485-T487 PolarHBondContact O-N 3Å; D485-T487 VanDerWaalsContact O-N 3.08Å; D485-T487 WeakPolarHBondContact OD1-CA 3.33Å; D485-T487 WeakPolarHBondContact OD1-CB 3.22Å; D485-T487 PolarHBondContact OD1-N 3.05Å; D485-T487 PolarHBondContact OD1-OG1 3.1Å; T487-H489 PolarHBondContact OG1-ND1 3.36Å; T487-R623 PolarHBondContact OG1-NH2 2.94Å; T487-P627 WeakPolarHBondContact O-CG 3.26Å
488	G	94.9	Very high	94.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	91.7	6.7	-175.1	0	0	0	0	0	114.8	D485 P627 I629	D485-G488 PolarHBondContact O-N 2.72Å; D485-G488 PolarHBondContact OD1-N 2.76Å; G488-P627 WeakPolarHBondContact O-CB 3.42Å; G488-I629 WeakPolarHBondContact CA-O 3.19Å
489	H	95.9	Very high	94.4	Very high	7 Å²	7	20.1 Å²	20.1	3%	0.032	12%	0.117	C	C	.	.			trans	-79.6	142	174.2	-73	80.2	0	0	0	110.7	F455 L484 D485 T487 R623 P627	F455-H489 AromaticContact CZ-CD2 3.86Å; L484-H489 CarbonylContact C-O 3.57Å; L484-H489 WeakPolarHBondContact CA-O 3.43Å; D485-H489 PolarHBondContact N-O 2.82Å; D485-H489 PolarHBondContact OD1-N 3.19Å; D485-H489 VanDerWaalsContact OD1-N 3.09Å; T487-H489 PolarHBondContact OG1-ND1 3.36Å; H489-R623 PolarHBondContact ND1-NH2 2.85Å; H489-P627 VanDerWaalsContact CE1-CG 3.49Å; H489-P627 WeakPolarHBondContact CE1-CG 3.33Å
490	L	97.9	Very high	94.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	137.5	180	-179.2	159.2	0	0	0	111.4	L438 F456 C459 V460 C482 L483 L484 I492	L438-L490 HydrophobicContact CD2-CD1 3.8Å; F456-L490 HydrophobicContact CB-CD1 3.83Å; F456-L490 HydrophobicContact CD1-CB 4.03Å; F456-L490 HydrophobicContact CD1-CD1 3.95Å; F456-L490 HydrophobicContact CG-CD1 4.17Å; C459-L490 HydrophobicContact CB-CB 3.78Å; C459-L490 HydrophobicContact CB-CD2 4.06Å; C459-L490 HydrophobicContact CB-CG 4.41Å; V460-L490 HydrophobicContact CG2-CD1 4.22Å; V460-L490 HydrophobicContact CG2-CD2 3.79Å; C482-L490 HydrophobicContact CB-CD1 3.8Å; C482-L490 HydrophobicContact CB-CD2 4.2Å; C482-L490 HydrophobicContact CB-CG 3.95Å; L483-L490 CarbonylContact O-C 3.52Å; L483-L490 WeakPolarHBondContact O-CA 3.36Å; L484-L490 HydrophobicContact CD2-CB 4Å; L490-I492 HydrophobicContact CD2-CG1 4.3Å
491	K	98	Very high	93.9	Very high	8 Å²	8	23.3 Å²	23.3	4%	0.035	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.9	168.6	-57.2	-161.8	-179.2	-146.7	0	111	P411 Y412 E431 L483	P411-K491 WeakPolarHBondContact O-CD 3.38Å; P411-K491 WeakPolarHBondContact O-CE 3.34Å; P411-K491 WeakPolarHBondContact O-CG 3.46Å; P411-K491 PolarHBondContact O-NZ 3.29Å; Y412-K491 WeakPolarHBondContact O-CA 3.4Å; E431-K491 WeakPolarHBondContact OE1-CE 3.36Å; E431-K491 IonicContact OE1-NZ 2.61Å; E431-K491 PolarHBondContact OE1-NZ 3.43Å; E431-K491 IonicContact OE2-NZ 3.24Å; E431-K491 PolarHBondContact OE2-NZ 2.86Å; L483-K491 PolarHBondContact N-O 3.32Å; L483-K491 PolarHBondContact O-N 2.88Å
492	I	97.9	Very high	93.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134	170.3	-62.3	-174.1	0	0	0	109.1	Y412 V414 V460 A463 Y474 L490 F495	Y412-I492 PolarHBondContact O-N 2.69Å; V414-I492 PolarHBondContact N-O 2.85Å; V460-I492 HydrophobicContact CG1-CD1 4.21Å; A463-I492 HydrophobicContact CB-CD1 3.5Å; A463-I492 VanDerWaalsContact CB-CD1 3.5Å; A463-I492 HydrophobicContact CB-CG1 3.94Å; Y474-I492 HydrophobicContact CD1-CG2 4.46Å; Y474-I492 HydrophobicContact CD2-CG2 4.15Å; Y474-I492 HydrophobicContact CE1-CG2 3.81Å; Y474-I492 HydrophobicContact CE2-CG2 3.46Å; Y474-I492 VanDerWaalsContact CE2-CG2 3.46Å; Y474-I492 WeakPolarHBondContact OH-CG2 3.34Å; L490-I492 HydrophobicContact CD2-CG1 4.3Å; I492-F495 HydrophobicContact CG2-CZ 4.08Å
493	V	95.1	Very high	92.3	Very high	22 Å²	22	31.2 Å²	31.2	13%	0.133	17%	0.171	C	C	.	.			trans	-119.9	177.7	175.5	-55.7	0	0	0	0	110.9	V414 Y474 N481 L483	V414-V493 HydrophobicContact CB-CG1 3.92Å; V414-V493 HydrophobicContact CG1-CB 4.14Å; V414-V493 HydrophobicContact CG1-CG1 3.94Å; V414-V493 HydrophobicContact CG2-CG1 4.37Å; Y474-V493 PolarHBondContact OH-O 2.86Å; N481-V493 HydrophobicContact CB-CG2 4.42Å; N481-V493 WeakPolarHBondContact O-CG2 3.18Å; N481-V493 PolarHBondContact O-N 2.71Å; L483-V493 HydrophobicContact CB-CG1 4.19Å; L483-V493 HydrophobicContact CD1-CG1 3.72Å; L483-V493 HydrophobicContact CD1-CG2 4.46Å; L483-V493 HydrophobicContact CG-CG1 3.72Å; L483-V493 HydrophobicContact CG-CG2 4.09Å
494	D	91	Very high	91.2	Very high	65 Å²	65	30.3 Å²	30.3	35%	0.348	17%	0.169	S	C	.	.			trans	54.8	99.2	175.8	-161.6	-13.1	0	0	0	115	Y474 G496	Y474-D494 WeakPolarHBondContact CE2-O 3.47Å; Y474-D494 PolarHBondContact OH-O 3.23Å; D494-G496 PolarHBondContact OD1-N 2.99Å; D494-G496 VanDerWaalsContact OD1-N 3.1Å
495	F	92.7	Very high	90.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.			trans	-105.9	20.7	-178.5	-71.4	-95.6	0	0	0	111.9	E401 M405 F408 V413 V414 L467 Y474 I492 F497 A498	E401-F495 HydrophobicContact CG-CB 3.9Å; E401-F495 PolarHBondContact OE1-N 2.73Å; M405-F495 HydrophobicContact CE-CD2 3.92Å; M405-F495 HydrophobicContact CE-CE2 4.39Å; M405-F495 HydrophobicContact CG-CB 3.97Å; M405-F495 HydrophobicContact CG-CD2 3.8Å; M405-F495 HydrophobicContact CG-CG 3.97Å; M405-F495 HydrophobicContact SD-CB 4.14Å; M405-F495 HydrophobicContact SD-CD2 3.85Å; M405-F495 HydrophobicContact SD-CG 4.35Å; F408-F495 HydrophobicContact CD2-CD1 4.41Å; F408-F495 HydrophobicContact CD2-CE1 4.11Å; F408-F495 HydrophobicContact CD2-CZ 4.22Å; F408-F495 AromaticContact CE2-CD1 3.56Å; F408-F495 HydrophobicContact CE2-CD1 3.56Å; F408-F495 AromaticContact CE2-CE1 3.54Å; F408-F495 HydrophobicContact CE2-CE1 3.54Å; F408-F495 HydrophobicContact CE2-CG 4.12Å; F408-F495 HydrophobicContact CE2-CZ 4.1Å; F408-F495 HydrophobicContact CZ-CD1 4.35Å; F408-F495 HydrophobicContact CZ-CE1 4.36Å; V413-F495 HydrophobicContact CB-CZ 4.42Å; V413-F495 HydrophobicContact CG1-CE1 4.32Å; V413-F495 HydrophobicContact CG1-CE2 3.74Å; V413-F495 HydrophobicContact CG1-CZ 3.36Å; V413-F495 HydrophobicContact CG2-CZ 4.35Å; V414-F495 HydrophobicContact CG1-CE2 4.28Å; L467-F495 HydrophobicContact CD1-CE1 3.84Å; L467-F495 HydrophobicContact CD1-CZ 4.47Å; L467-F495 HydrophobicContact CD2-CE1 3.8Å; L467-F495 HydrophobicContact CG-CE1 4.49Å; Y474-F495 AromaticContact CD2-CD1 3.89Å; Y474-F495 HydrophobicContact CD2-CD1 3.89Å; Y474-F495 AromaticContact CD2-CE1 3.77Å; Y474-F495 HydrophobicContact CD2-CE1 3.77Å; Y474-F495 HydrophobicContact CD2-CZ 4.45Å; Y474-F495 HydrophobicContact CE2-CD1 4.01Å; Y474-F495 AromaticContact CE2-CE1 3.95Å; Y474-F495 HydrophobicContact CE2-CE1 3.95Å; Y474-F495 HydrophobicContact CE2-CG 4.39Å; Y474-F495 HydrophobicContact CE2-CZ 4.26Å; I492-F495 HydrophobicContact CG2-CZ 4.08Å; F495-F497 PolarHBondContact O-N 3.04Å; F495-A498 HydrophobicContact CB-CB 3.88Å; F495-A498 HydrophobicContact CD1-CB 3.7Å; F495-A498 HydrophobicContact CG-CB 4.29Å; F495-A498 WeakPolarHBondContact O-CB 3.39Å; F495-A498 PolarHBondContact O-N 3.17Å
496	G	88	Confident	90.3	Very high	20 Å²	20	39.9 Å²	39.9	21%	0.206	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.1	-177.8	0	0	0	0	0	114.3	D494	D494-G496 PolarHBondContact OD1-N 2.99Å; D494-G496 VanDerWaalsContact OD1-N 3.1Å
497	F	89.6	Confident	90.1	Very high	36 Å²	36	37.3 Å²	37.3	16%	0.158	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-0.3	173	-59.7	-21.4	0	0	0	113.7	V51 Y474 R475 D476 F495 C511	V51-F497 WeakPolarHBondContact O-CZ 3.29Å; Y474-F497 CarbonylContact O-C 3.57Å; R475-F497 HydrophobicContact CB-CB 4.16Å; R475-F497 PolarHBondContact NE-O 3.07Å; R475-F497 PolarHBondContact NH2-O 3.27Å; D476-F497 HydrophobicContact CB-CB 4.44Å; D476-F497 HydrophobicContact CB-CD2 3.65Å; D476-F497 HydrophobicContact CB-CE2 4.32Å; D476-F497 HydrophobicContact CB-CG 4.45Å; F495-F497 PolarHBondContact O-N 3.04Å; F497-C511 HydrophobicContact CD1-CB 4.15Å; F497-C511 HydrophobicContact CD2-CB 4.16Å; F497-C511 HydrophobicContact CE1-CB 4.46Å; F497-C511 HydrophobicContact CE2-CB 4.47Å; F497-C511 HydrophobicContact CG-CB 4.03Å
498	A	93.3	Very high	89.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.			trans	-68.8	146.8	178.9	0	0	0	0	0	110.9	N400 L404 V472 I473 Y474 F495	N400-A498 PolarHBondContact ND2-O 3.35Å; L404-A498 HydrophobicContact CD1-CB 3.94Å; V472-A498 HydrophobicContact CG1-CB 4.09Å; I473-A498 CarbonylContact O-C 3.59Å; I473-A498 WeakPolarHBondContact O-CA 3.5Å; Y474-A498 PolarHBondContact O-N 3.24Å; F495-A498 HydrophobicContact CB-CB 3.88Å; F495-A498 HydrophobicContact CD1-CB 3.7Å; F495-A498 HydrophobicContact CG-CB 4.29Å; F495-A498 WeakPolarHBondContact O-CB 3.39Å; F495-A498 PolarHBondContact O-N 3.17Å
499	K	91.9	Very high	89.3	Confident	70 Å²	70	35.2 Å²	35.2	30%	0.304	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	142.1	-179.7	-174	169.8	-179.8	176.5	0	110.9	V472 I473 T507	V472-K499 WeakPolarHBondContact CA-O 3.37Å; I473-K499 HydrophobicContact CG2-CB 4.09Å; I473-K499 WeakPolarHBondContact CG2-O 3.37Å; I473-K499 PolarHBondContact N-O 3.37Å; I473-K499 PolarHBondContact O-N 3.43Å; K499-T507 PolarHBondContact NZ-OG1 3.34Å
500	R	92.3	Very high	88.8	Confident	77 Å²	77	35.2 Å²	35.2	29%	0.291	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.5	168.3	-167.7	173.1	-63.2	-82.5	2.9	109.4	L404 E407 R470 L471	L404-R500 HydrophobicContact CD2-CB 4.33Å; E407-R500 IonicContact OE1-CZ 3.4Å; E407-R500 IonicContact OE1-NH2 2.71Å; E407-R500 PolarHBondContact OE1-NH2 3.3Å; E407-R500 IonicContact OE2-CZ 3.85Å; E407-R500 IonicContact OE2-NH2 2.71Å; E407-R500 PolarHBondContact OE2-NH2 3.25Å; R470-R500 PolarHBondContact O-NH1 2.92Å; L471-R500 HydrophobicContact CB-CG 4.3Å; L471-R500 CarbonylContact O-C 3.52Å; L471-R500 VanDerWaalsContact O-CA 3.28Å; L471-R500 WeakPolarHBondContact O-CA 3.45Å
501	L	88.4	Confident	88.2	Confident	9 Å²	9	35.3 Å²	35.3	5%	0.047	17%	0.169	C	C	.	.			trans	-133.7	113.2	-177.8	-171.3	68.3	0	0	0	109.5	L471 R505 D528 H529	L471-L501 WeakPolarHBondContact CB-O 3.04Å; L471-L501 PolarHBondContact O-N 2.71Å; L501-R505 HydrophobicContact CD1-CB 3.93Å; L501-R505 WeakPolarHBondContact CD1-O 3.48Å; L501-R505 VanDerWaalsContact CD2-O 3.31Å; L501-R505 WeakPolarHBondContact CD2-O 3.4Å; L501-R505 HydrophobicContact CG-CB 4.47Å; L501-R505 VanDerWaalsContact CG-O 3.32Å; L501-R505 WeakPolarHBondContact CG-O 3.5Å; L501-D528 VanDerWaalsContact CD2-CA 3.45Å; L501-D528 HydrophobicContact CD2-CB 3.62Å; L501-H529 PolarHBondContact O-CE1 3.11Å
502	H	82.7	Confident	87.7	Confident	113 Å²	113	35 Å²	35	52%	0.523	17%	0.168	S	C	.	.			trans	-69.2	153.5	179.3	-71	-83	0	0	0	111.7	G504 R505	H502-G504 PolarHBondContact O-N 3.15Å; H502-R505 HydrophobicContact CB-CG 4.11Å; H502-R505 VanDerWaalsContact O-CB 3.31Å; H502-R505 WeakPolarHBondContact O-CB 2.98Å; H502-R505 PolarHBondContact O-N 3.32Å
503	P	76.7	Confident	87.4	Confident	64 Å²	64	35 Å²	35	42%	0.416	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	137.6	178	-27.7	36.9	0	0	0	112.5	E212 D213 L471 R505	E212-P503 HydrophobicContact CB-CB 4.46Å; D213-P503 HydrophobicContact CB-CB 4.28Å; L471-P503 HydrophobicContact CD2-CG 3.9Å; P503-R505 PolarHBondContact O-N 3.13Å
504	G	74.2	Confident	87.2	Confident	11 Å²	11	34.7 Å²	34.7	11%	0.113	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	5.7	-178.5	0	0	0	0	0	115.3	H502	H502-G504 PolarHBondContact O-N 3.15Å
505	R	83.6	Confident	87.3	Confident	171 Å²	171	32.8 Å²	32.8	65%	0.645	16%	0.156	S	C	*	.			trans	-100.6	148.9	172.5	-59.7	-61.6	-170.3	173.8	-1.3	110	L501 H502 P503	L501-R505 HydrophobicContact CD1-CB 3.93Å; L501-R505 WeakPolarHBondContact CD1-O 3.48Å; L501-R505 VanDerWaalsContact CD2-O 3.31Å; L501-R505 WeakPolarHBondContact CD2-O 3.4Å; L501-R505 HydrophobicContact CG-CB 4.47Å; L501-R505 VanDerWaalsContact CG-O 3.32Å; L501-R505 WeakPolarHBondContact CG-O 3.5Å; H502-R505 HydrophobicContact CB-CG 4.11Å; H502-R505 VanDerWaalsContact O-CB 3.31Å; H502-R505 WeakPolarHBondContact O-CB 2.98Å; H502-R505 PolarHBondContact O-N 3.32Å; P503-R505 PolarHBondContact O-N 3.13Å
506	K	87.3	Confident	87.5	Confident	41 Å²	41	33.2 Å²	33.2	18%	0.178	16%	0.158	C	C	.	.			trans	-113.8	154.5	171.6	-66.8	-177.2	169	-161.6	0	111.1	D220 H527	D220-K506 WeakPolarHBondContact OD1-CE 2.96Å; D220-K506 IonicContact OD1-NZ 2.63Å; D220-K506 PolarHBondContact OD1-NZ 3.14Å; D220-K506 WeakPolarHBondContact OD2-CE 3.49Å; D220-K506 IonicContact OD2-NZ 3.55Å; D220-K506 PolarHBondContact OD2-NZ 3.05Å; K506-H527 WeakPolarHBondContact CA-O 3.35Å
507	T	88.5	Confident	87.8	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.031	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-108.8	158.1	166.4	-174	0	0	0	0	109.8	K499 G526 H527	K499-T507 PolarHBondContact NZ-OG1 3.34Å; T507-G526 WeakPolarHBondContact O-CA 3.31Å; T507-H527 WeakPolarHBondContact CG2-O 3.36Å; T507-H527 PolarHBondContact N-O 3.1Å; T507-H527 PolarHBondContact O-N 3.44Å; T507-H527 PolarHBondContact O-ND1 3.49Å
508	W	87.6	Confident	88.1	Confident	18 Å²	18	30.8 Å²	30.8	7%	0.068	14%	0.142	C	C	.	.			trans	-127.2	1.4	-174.1	-64.6	83.7	0	0	0	113.3	P55 M187 L191 F510 N524 K525 G526	P55-W508 HydrophobicContact CB-CB 4.17Å; P55-W508 HydrophobicContact CG-CB 4.1Å; M187-W508 HydrophobicContact CB-CE3 4.18Å; M187-W508 HydrophobicContact CB-CZ3 4.22Å; M187-W508 HydrophobicContact CE-CB 3.78Å; M187-W508 HydrophobicContact CE-CD2 4.34Å; M187-W508 HydrophobicContact CE-CG 3.86Å; M187-W508 HydrophobicContact CG-CB 4.43Å; M187-W508 HydrophobicContact CG-CD2 3.93Å; M187-W508 HydrophobicContact CG-CE3 3.49Å; M187-W508 VanDerWaalsContact CG-CE3 3.49Å; M187-W508 HydrophobicContact CG-CG 4.32Å; M187-W508 HydrophobicContact CG-CZ3 3.94Å; M187-W508 HydrophobicContact SD-CB 4.26Å; L191-W508 HydrophobicContact CD2-CZ2 3.84Å; L191-W508 HydrophobicContact CG-CZ2 3.69Å; W508-F510 PolarHBondContact O-N 3.31Å; W508-N524 WeakPolarHBondContact CZ3-O 3.4Å; W508-K525 WeakPolarHBondContact CH2-O 3.43Å; W508-K525 VanDerWaalsContact CZ3-C 3.5Å; W508-G526 VanDerWaalsContact CZ3-N 3.31Å
509	T	82.4	Confident	88.1	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.012	14%	0.144	C	C	.	.			trans	-63.7	114.6	173.3	-46.7	0	0	0	0	109.7	A53 E54 C511 H527	A53-T509 WeakPolarHBondContact O-CG2 3.44Å; E54-T509 WeakPolarHBondContact OE1-CG2 3.24Å; E54-T509 PolarHBondContact OE2-OG1 2.95Å; T509-C511 HydrophobicContact CG2-CB 4.34Å; T509-C511 PolarHBondContact O-N 2.89Å; T509-C511 VanDerWaalsContact O-N 3.1Å; T509-H527 PolarHBondContact O-CE1 3.24Å; T509-H527 PolarHBondContact O-NE2 2.96Å
510	F	85.6	Confident	88.1	Confident	8 Å²	8	28.4 Å²	28.4	4%	0.035	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	105.8	171.9	-174.4	-76.4	0	0	0	108	V51 S52 A53 L157 Y158 W508 I521 I522 Y559	V51-F510 HydrophobicContact CG2-CD1 4.27Å; V51-F510 HydrophobicContact CG2-CE1 3.75Å; S52-F510 CarbonylContact C-O 3.51Å; S52-F510 VanDerWaalsContact CA-O 3.26Å; S52-F510 WeakPolarHBondContact CA-O 3.2Å; A53-F510 HydrophobicContact CB-CB 4.47Å; A53-F510 PolarHBondContact N-O 3.36Å; A53-F510 PolarHBondContact O-N 3.32Å; L157-F510 HydrophobicContact CB-CD2 4.35Å; L157-F510 HydrophobicContact CB-CE2 3.96Å; L157-F510 HydrophobicContact CB-CZ 4.24Å; L157-F510 HydrophobicContact CD1-CE2 4.42Å; L157-F510 HydrophobicContact CD2-CE2 4.16Å; L157-F510 HydrophobicContact CG-CE2 4.43Å; Y158-F510 HydrophobicContact CD1-CD1 4.05Å; Y158-F510 AromaticContact CD1-CE1 3.46Å; Y158-F510 HydrophobicContact CD1-CE1 3.46Å; Y158-F510 VanDerWaalsContact CD1-CE1 3.46Å; Y158-F510 AromaticContact CD1-CZ 3.9Å; Y158-F510 HydrophobicContact CD1-CZ 3.9Å; Y158-F510 HydrophobicContact CE1-CE1 4.22Å; Y158-F510 HydrophobicContact CE1-CZ 4.47Å; Y158-F510 HydrophobicContact CG-CD1 4.28Å; Y158-F510 HydrophobicContact CG-CE1 4.08Å; W508-F510 PolarHBondContact O-N 3.31Å; F510-I521 HydrophobicContact CD2-CG2 3.94Å; F510-I521 HydrophobicContact CE2-CG2 4.35Å; F510-I521 HydrophobicContact CG-CG2 4.3Å; F510-I522 HydrophobicContact CE2-CG1 4.49Å; F510-Y559 HydrophobicContact CZ-CE1 4.28Å; F510-Y559 HydrophobicContact CZ-CE2 4.23Å; F510-Y559 AromaticContact CZ-CZ 3.79Å
511	C	86	Confident	88.1	Confident	1 Å²	1	25 Å²	25	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	165.2	175.4	65.2	0	0	0	0	112.8	V51 R475 F497 T509	V51-C511 CarbonylContact O-C 3.55Å; V51-C511 WeakPolarHBondContact O-CA 3.39Å; V51-C511 WeakPolarHBondContact O-CB 3.47Å; R475-C511 PolarHBondContact NH1-SG 3.02Å; F497-C511 HydrophobicContact CD1-CB 4.15Å; F497-C511 HydrophobicContact CD2-CB 4.16Å; F497-C511 HydrophobicContact CE1-CB 4.46Å; F497-C511 HydrophobicContact CE2-CB 4.47Å; F497-C511 HydrophobicContact CG-CB 4.03Å; T509-C511 HydrophobicContact CG2-CB 4.34Å; T509-C511 PolarHBondContact O-N 2.89Å; T509-C511 VanDerWaalsContact O-N 3.1Å
512	G	87.5	Confident	88.2	Confident	2 Å²	2	24.6 Å²	24.6	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119.2	176.8	-178.6	0	0	0	0	0	112	V51 R475	V51-G512 VanDerWaalsContact CG2-O 3.28Å; V51-G512 WeakPolarHBondContact CG2-O 3.48Å; V51-G512 PolarHBondContact N-O 3.45Å; V51-G512 PolarHBondContact O-N 2.71Å; R475-G512 WeakPolarHBondContact O-CA 3.46Å
513	T	90.1	Very high	88.4	Confident	1 Å²	1	20 Å²	20	1%	0.006	10%	0.097	C	C	.	.			trans	-85.6	127.4	178.4	-60.9	0	0	0	0	109.8	K48 D476 K478 E515 Y516 V517	K48-T513 HydrophobicContact CB-CG2 3.61Å; K48-T513 HydrophobicContact CD-CG2 4.11Å; K48-T513 HydrophobicContact CG-CG2 4.41Å; D476-T513 PolarHBondContact OD1-N 2.8Å; D476-T513 PolarHBondContact OD1-OG1 3.37Å; K478-T513 HydrophobicContact CD-CG2 4.34Å; K478-T513 WeakPolarHBondContact CD-OG1 3.37Å; K478-T513 PolarHBondContact NZ-OG1 2.93Å; T513-E515 VanDerWaalsContact C-N 3.27Å; T513-E515 WeakPolarHBondContact CG2-OE2 3.3Å; T513-E515 PolarHBondContact O-N 3.45Å; T513-Y516 HydrophobicContact CG2-CD2 4.04Å; T513-Y516 WeakPolarHBondContact O-CA 3.3Å; T513-Y516 WeakPolarHBondContact O-CB 3.37Å; T513-Y516 PolarHBondContact O-N 2.95Å; T513-V517 WeakPolarHBondContact O-CG2 3.32Å; T513-V517 PolarHBondContact O-N 3.37Å
514	P	91	Very high	88.8	Confident	14 Å²	14	17.8 Å²	17.8	9%	0.091	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-47.1	-40.3	-166.1	-32.7	36.3	0	0	0	116.6	V51 Y516 Y559 I562	V51-P514 HydrophobicContact CG2-CG 4.48Å; P514-Y516 VanDerWaalsContact C-N 3.26Å; P514-Y516 PolarHBondContact O-N 3.19Å; P514-Y559 HydrophobicContact CB-CE1 3.86Å; P514-I562 WeakPolarHBondContact O-CD1 3.48Å
515	E	93.9	Very high	89.3	Confident	26 Å²	26	20.8 Å²	20.8	12%	0.121	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-71.7	-17.7	179.9	-60.6	84.8	171.7	0	0	114	T513 I538 P548 F550 Q551 T558	T513-E515 VanDerWaalsContact C-N 3.27Å; T513-E515 WeakPolarHBondContact CG2-OE2 3.3Å; T513-E515 PolarHBondContact O-N 3.45Å; E515-I538 WeakPolarHBondContact O-CG2 3.28Å; E515-P548 HydrophobicContact CB-CB 3.88Å; E515-P548 HydrophobicContact CB-CG 3.84Å; E515-P548 HydrophobicContact CG-CB 4.35Å; E515-P548 HydrophobicContact CG-CG 3.79Å; E515-F550 WeakPolarHBondContact CG-O 3.48Å; E515-Q551 HydrophobicContact CG-CG 4.33Å; E515-T558 HydrophobicContact CG-CG2 4.15Å
516	Y	96	Very high	89.4	Confident	9 Å²	9	12.8 Å²	12.8	4%	0.035	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-105.2	-10.2	-178.8	-71.9	-92.4	0	0	0	113.7	K48 L477 K478 P479 T513 P514 A518 A535 I538 F539 E542	K48-Y516 HydrophobicContact CD-CE2 4.35Å; L477-Y516 WeakPolarHBondContact O-CD1 3.37Å; L477-Y516 WeakPolarHBondContact O-CE1 3.48Å; L477-Y516 VanDerWaalsContact O-CG 3.31Å; K478-Y516 HydrophobicContact CB-CD2 4.23Å; K478-Y516 HydrophobicContact CB-CE1 4.4Å; K478-Y516 HydrophobicContact CB-CE2 3.73Å; P479-Y516 WeakPolarHBondContact CD-OH 3.47Å; T513-Y516 HydrophobicContact CG2-CD2 4.04Å; T513-Y516 WeakPolarHBondContact O-CA 3.3Å; T513-Y516 WeakPolarHBondContact O-CB 3.37Å; T513-Y516 PolarHBondContact O-N 2.95Å; P514-Y516 VanDerWaalsContact C-N 3.26Å; P514-Y516 PolarHBondContact O-N 3.19Å; Y516-A518 PolarHBondContact O-N 3.2Å; Y516-A535 HydrophobicContact CD1-CB 4.24Å; Y516-I538 HydrophobicContact CD1-CB 3.68Å; Y516-I538 HydrophobicContact CD1-CG2 3.45Å; Y516-I538 VanDerWaalsContact CD1-CG2 3.45Å; Y516-I538 HydrophobicContact CD2-CG2 4.29Å; Y516-I538 HydrophobicContact CE1-CB 3.88Å; Y516-I538 HydrophobicContact CE1-CG2 3.48Å; Y516-I538 VanDerWaalsContact CE1-CG2 3.48Å; Y516-I538 HydrophobicContact CE2-CG2 4.33Å; Y516-I538 HydrophobicContact CG-CB 4.43Å; Y516-I538 HydrophobicContact CG-CG2 3.89Å; Y516-F539 HydrophobicContact CE1-CB 4.11Å; Y516-E542 PolarHBondContact OH-OE2 3.31Å
517	V	94.6	Very high	89.6	Confident	4 Å²	4	11 Å²	11	2%	0.024	5%	0.054	C	C	.	.			trans	-66.7	132.5	-178.2	-179.2	0	0	0	0	110	T513 I521 I522 W534	T513-V517 WeakPolarHBondContact O-CG2 3.32Å; T513-V517 PolarHBondContact O-N 3.37Å; V517-I521 HydrophobicContact CG1-CB 3.52Å; V517-I521 HydrophobicContact CG1-CD1 4.16Å; V517-I521 HydrophobicContact CG1-CG1 4.37Å; V517-I521 HydrophobicContact CG1-CG2 3.57Å; V517-I522 HydrophobicContact CB-CG1 4.44Å; V517-I522 HydrophobicContact CG1-CD1 4.3Å; V517-I522 HydrophobicContact CG1-CG1 3.78Å; V517-W534 PolarHBondContact O-NE1 3.18Å
518	A	95.7	Very high	89.9	Confident	1 Å²	1	11.3 Å²	11.3	1%	0.008	6%	0.056	C	C	.	.			trans	-75.8	151.5	178.7	0	0	0	0	0	112	Y516 E520 I521 I522 A531 W534	Y516-A518 PolarHBondContact O-N 3.2Å; A518-E520 VanDerWaalsContact C-N 3.29Å; A518-E520 VanDerWaalsContact CB-CD 3.44Å; A518-E520 VanDerWaalsContact CB-OE1 3.25Å; A518-E520 WeakPolarHBondContact CB-OE1 3.49Å; A518-E520 VanDerWaalsContact CB-OE2 3.23Å; A518-E520 WeakPolarHBondContact CB-OE2 3.46Å; A518-E520 PolarHBondContact O-N 3.32Å; A518-I521 HydrophobicContact CB-CD1 4.28Å; A518-I521 HydrophobicContact CB-CG1 4.36Å; A518-I521 WeakPolarHBondContact O-CB 3.48Å; A518-I521 PolarHBondContact O-N 2.82Å; A518-I522 PolarHBondContact O-N 3.46Å; A518-A531 HydrophobicContact CB-CB 4.1Å; A518-W534 HydrophobicContact CB-CB 3.88Å; A518-W534 HydrophobicContact CB-CD2 4.23Å; A518-W534 HydrophobicContact CB-CG 3.7Å
519	P	94.4	Very high	90.2	Very high	8 Å²	8	11.5 Å²	11.5	5%	0.052	6%	0.057	C	C	.	.	H	α-helix	trans	-58	-36.6	-175.4	22.3	-33.8	0	0	0	113.4	I521 I522 L523 W534 I562 L563	P519-I521 VanDerWaalsContact C-N 3.29Å; P519-I521 PolarHBondContact O-N 2.94Å; P519-I522 WeakPolarHBondContact O-CB 3.38Å; P519-I522 PolarHBondContact O-N 3.31Å; P519-L523 WeakPolarHBondContact O-CB 3.48Å; P519-L523 VanDerWaalsContact O-CG 3.31Å; P519-L523 WeakPolarHBondContact O-CG 3.42Å; P519-L523 PolarHBondContact O-N 3.04Å; P519-W534 HydrophobicContact CG-CE3 4.14Å; P519-W534 HydrophobicContact CG-CH2 4.13Å; P519-W534 HydrophobicContact CG-CZ3 3.83Å; P519-I562 HydrophobicContact CB-CG2 4.32Å; P519-L563 HydrophobicContact CB-CD2 3.92Å
520	E	92.7	Very high	90.8	Very high	11 Å²	11	11.6 Å²	11.6	5%	0.051	6%	0.058	C	C	.	.	H	α-helix	trans	-66	-27.7	177.4	70.7	-80.5	-166.9	0	0	113.5	A518 N524 K525 H527 P592 R595	A518-E520 VanDerWaalsContact C-N 3.29Å; A518-E520 VanDerWaalsContact CB-CD 3.44Å; A518-E520 VanDerWaalsContact CB-OE1 3.25Å; A518-E520 WeakPolarHBondContact CB-OE1 3.49Å; A518-E520 VanDerWaalsContact CB-OE2 3.23Å; A518-E520 WeakPolarHBondContact CB-OE2 3.46Å; A518-E520 PolarHBondContact O-N 3.32Å; E520-N524 PolarHBondContact O-N 3.31Å; E520-K525 HydrophobicContact CB-CB 4.38Å; E520-K525 PolarHBondContact O-N 2.94Å; E520-H527 HydrophobicContact CG-CB 3.91Å; E520-P592 HydrophobicContact CB-CG 4.28Å; E520-P592 HydrophobicContact CG-CG 4.1Å; E520-R595 IonicContact OE1-CZ 3.02Å; E520-R595 IonicContact OE1-NH1 2.96Å; E520-R595 PolarHBondContact OE1-NH1 2.85Å; E520-R595 IonicContact OE1-NH2 3.67Å; E520-R595 PolarHBondContact OE1-NH2 2.86Å; E520-R595 IonicContact OE2-CZ 2.79Å; E520-R595 IonicContact OE2-NH1 2.85Å; E520-R595 IonicContact OE2-NH2 3.77Å; E520-R595 PolarHBondContact OE2-NH2 3.42Å
521	I	92.3	Very high	91.4	Very high	7 Å²	7	11.5 Å²	11.5	4%	0.036	6%	0.058	C	C	.	.	H	α-helix	trans	-73.7	-43.4	173	-57.1	177.5	0	0	0	109.2	F510 V517 A518 P519 L523 N524 H527 A531	F510-I521 HydrophobicContact CD2-CG2 3.94Å; F510-I521 HydrophobicContact CE2-CG2 4.35Å; F510-I521 HydrophobicContact CG-CG2 4.3Å; V517-I521 HydrophobicContact CG1-CB 3.52Å; V517-I521 HydrophobicContact CG1-CD1 4.16Å; V517-I521 HydrophobicContact CG1-CG1 4.37Å; V517-I521 HydrophobicContact CG1-CG2 3.57Å; A518-I521 HydrophobicContact CB-CD1 4.28Å; A518-I521 HydrophobicContact CB-CG1 4.36Å; A518-I521 WeakPolarHBondContact O-CB 3.48Å; A518-I521 PolarHBondContact O-N 2.82Å; P519-I521 VanDerWaalsContact C-N 3.29Å; P519-I521 PolarHBondContact O-N 2.94Å; I521-L523 PolarHBondContact O-N 2.98Å; I521-N524 PolarHBondContact O-N 3.4Å; I521-N524 VanDerWaalsContact O-N 3.16Å; I521-H527 HydrophobicContact CD1-CB 4.44Å; I521-H527 HydrophobicContact CG1-CB 3.79Å; I521-A531 HydrophobicContact CD1-CB 3.98Å
522	I	90.3	Very high	91.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.3	-44.1	177.2	-69.3	161.8	0	0	0	111.2	F88 L157 F510 V517 A518 P519 N524 Y559 I562 L563	F88-I522 HydrophobicContact CD2-CG2 4.1Å; F88-I522 HydrophobicContact CE2-CG2 3.66Å; F88-I522 WeakPolarHBondContact CE2-O 3.34Å; L157-I522 WeakPolarHBondContact CD2-O 3.38Å; F510-I522 HydrophobicContact CE2-CG1 4.49Å; V517-I522 HydrophobicContact CB-CG1 4.44Å; V517-I522 HydrophobicContact CG1-CD1 4.3Å; V517-I522 HydrophobicContact CG1-CG1 3.78Å; A518-I522 PolarHBondContact O-N 3.46Å; P519-I522 WeakPolarHBondContact O-CB 3.38Å; P519-I522 PolarHBondContact O-N 3.31Å; I522-N524 PolarHBondContact O-N 3.15Å; I522-Y559 HydrophobicContact CD1-CD1 3.53Å; I522-Y559 HydrophobicContact CD1-CE1 4.36Å; I522-Y559 HydrophobicContact CD1-CG 4.05Å; I522-Y559 HydrophobicContact CG1-CD1 3.77Å; I522-Y559 HydrophobicContact CG1-CE1 4.3Å; I522-Y559 HydrophobicContact CG1-CG 4.14Å; I522-Y559 HydrophobicContact CG2-CG 4.4Å; I522-I562 HydrophobicContact CD1-CB 3.92Å; I522-I562 HydrophobicContact CD1-CD1 3.92Å; I522-I562 HydrophobicContact CD1-CG2 3.53Å; I522-L563 HydrophobicContact CB-CD2 4.34Å; I522-L563 HydrophobicContact CG2-CD1 3.81Å; I522-L563 HydrophobicContact CG2-CD2 3.99Å; I522-L563 HydrophobicContact CG2-CG 4Å
523	L	86.9	Confident	92.4	Very high	16 Å²	16	11.6 Å²	11.6	8%	0.084	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.6	179.4	-63	177.2	0	0	0	113.4	F88 H91 P519 I521 K525 L563	F88-L523 HydrophobicContact CE2-CD2 4.34Å; H91-L523 HydrophobicContact CB-CD1 4.16Å; H91-L523 HydrophobicContact CB-CD2 3.58Å; P519-L523 WeakPolarHBondContact O-CB 3.48Å; P519-L523 VanDerWaalsContact O-CG 3.31Å; P519-L523 WeakPolarHBondContact O-CG 3.42Å; P519-L523 PolarHBondContact O-N 3.04Å; I521-L523 PolarHBondContact O-N 2.98Å; L523-K525 HydrophobicContact CB-CD 4.23Å; L523-K525 HydrophobicContact CB-CG 3.92Å; L523-K525 HydrophobicContact CD1-CD 4.33Å; L523-K525 PolarHBondContact O-N 3.04Å; L523-L563 HydrophobicContact CD1-CD2 3.94Å; L523-L563 HydrophobicContact CD2-CD1 3.89Å; L523-L563 HydrophobicContact CD2-CD2 3.75Å; L523-L563 HydrophobicContact CD2-CG 4.49Å; L523-L563 HydrophobicContact CG-CD2 3.65Å
524	N	84.8	Confident	92.8	Very high	17 Å²	17	11.5 Å²	11.5	9%	0.091	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	58.7	-173.8	-163.2	45.2	0	0	0	110	T186 W508 E520 I521 I522	T186-N524 PolarHBondContact OG1-ND2 3.2Å; W508-N524 WeakPolarHBondContact CZ3-O 3.4Å; E520-N524 PolarHBondContact O-N 3.31Å; I521-N524 PolarHBondContact O-N 3.4Å; I521-N524 VanDerWaalsContact O-N 3.16Å; I522-N524 PolarHBondContact O-N 3.15Å
525	K	83.8	Confident	93.2	Very high	75 Å²	75	11.1 Å²	11.1	33%	0.326	6%	0.056	S	C	.	.	S	Bend	trans	-101.5	5.4	175.2	-70.1	-171.6	172.6	-165.7	0	112.7	D93 W508 E520 L523	D93-K525 IonicContact OD1-NZ 3.95Å; W508-K525 WeakPolarHBondContact CH2-O 3.43Å; W508-K525 VanDerWaalsContact CZ3-C 3.5Å; E520-K525 HydrophobicContact CB-CB 4.38Å; E520-K525 PolarHBondContact O-N 2.94Å; L523-K525 HydrophobicContact CB-CD 4.23Å; L523-K525 HydrophobicContact CB-CG 3.92Å; L523-K525 HydrophobicContact CD1-CD 4.33Å; L523-K525 PolarHBondContact O-N 3.04Å
526	G	85.3	Confident	93.4	Very high	2 Å²	2	9.9 Å²	9.9	2%	0.021	5%	0.05	C	C	.	.			trans	73.1	141.4	-170.1	0	0	0	0	0	111.6	T507 W508	T507-G526 WeakPolarHBondContact O-CA 3.31Å; W508-G526 VanDerWaalsContact CZ3-N 3.31Å
527	H	93.2	Very high	93.4	Very high	5 Å²	5	9.5 Å²	9.5	2%	0.023	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-131.5	157.9	-175.5	55.6	-72.5	0	0	0	112.8	K506 T507 T509 E520 I521	K506-H527 WeakPolarHBondContact CA-O 3.35Å; T507-H527 WeakPolarHBondContact CG2-O 3.36Å; T507-H527 PolarHBondContact N-O 3.1Å; T507-H527 PolarHBondContact O-N 3.44Å; T507-H527 PolarHBondContact O-ND1 3.49Å; T509-H527 PolarHBondContact O-CE1 3.24Å; T509-H527 PolarHBondContact O-NE2 2.96Å; E520-H527 HydrophobicContact CG-CB 3.91Å; I521-H527 HydrophobicContact CD1-CB 4.44Å; I521-H527 HydrophobicContact CG1-CB 3.79Å
528	D	93.3	Very high	93.5	Very high	10 Å²	10	9.3 Å²	9.3	5%	0.053	5%	0.047	C	C	.	.			trans	-134.6	-166.4	176.3	69.3	12.4	0	0	0	110.9	I473 L501 S530 A531	I473-D528 WeakPolarHBondContact CD1-O 3.15Å; L501-D528 VanDerWaalsContact CD2-CA 3.45Å; L501-D528 HydrophobicContact CD2-CB 3.62Å; D528-S530 PolarHBondContact O-N 3.03Å; D528-S530 WeakPolarHBondContact OD1-CB 3.47Å; D528-S530 PolarHBondContact OD1-N 3.38Å; D528-S530 PolarHBondContact OD1-OG 3.49Å; D528-A531 PolarHBondContact O-N 3.47Å
529	H	94.1	Very high	93.6	Very high	23 Å²	23	9.2 Å²	9.2	11%	0.106	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-21.2	-178.8	-55.9	88.1	0	0	0	114.5	H468 L471 V472 I473 L501 A531 D532	H468-H529 AromaticContact CD2-CD2 3.55Å; H468-H529 PolarHBondContact CE1-O 3.27Å; H468-H529 VanDerWaalsContact CE1-O 3.32Å; H468-H529 AromaticContact CG-CD2 3.89Å; L471-H529 VanDerWaalsContact C-NE2 3.33Å; V472-H529 PolarHBondContact O-CD2 3.47Å; I473-H529 PolarHBondContact N-NE2 3.18Å; L501-H529 PolarHBondContact O-CE1 3.11Å; H529-A531 PolarHBondContact O-N 3.35Å; H529-D532 PolarHBondContact O-N 3.07Å; H529-D532 VanDerWaalsContact O-N 3.11Å
530	S	95.5	Very high	93.7	Very high	3 Å²	3	8.9 Å²	8.9	2%	0.021	4%	0.044	C	C	.	.	H	α-helix	trans	-58.8	-25.4	175.4	65.1	0	0	0	0	114.4	D528 D532 F533 W534 P592 R595 C598	D528-S530 PolarHBondContact O-N 3.03Å; D528-S530 WeakPolarHBondContact OD1-CB 3.47Å; D528-S530 PolarHBondContact OD1-N 3.38Å; D528-S530 PolarHBondContact OD1-OG 3.49Å; S530-D532 VanDerWaalsContact C-N 3.27Å; S530-D532 PolarHBondContact O-N 3.01Å; S530-F533 PolarHBondContact O-N 3.19Å; S530-W534 PolarHBondContact O-N 3.49Å; S530-P592 VanDerWaalsContact OG-CB 3.26Å; S530-P592 WeakPolarHBondContact OG-CB 3.36Å; S530-R595 PolarHBondContact O-NH1 2.76Å; S530-C598 WeakPolarHBondContact CB-SG 3.15Å
531	A	97.3	Very high	93.8	Very high	6 Å²	6	8.3 Å²	8.3	5%	0.05	4%	0.042	C	C	.	.	H	α-helix	trans	-65.9	-29.3	176.7	0	0	0	0	0	112.4	I473 A518 I521 D528 H529 F533 W534 A535	I473-A531 HydrophobicContact CD1-CB 4.35Å; A518-A531 HydrophobicContact CB-CB 4.1Å; I521-A531 HydrophobicContact CD1-CB 3.98Å; D528-A531 PolarHBondContact O-N 3.47Å; H529-A531 PolarHBondContact O-N 3.35Å; A531-F533 VanDerWaalsContact C-N 3.32Å; A531-F533 PolarHBondContact O-N 2.97Å; A531-W534 WeakPolarHBondContact O-CB 3.29Å; A531-W534 PolarHBondContact O-N 3.48Å; A531-A535 PolarHBondContact O-N 2.95Å
532	D	98.1	Very high	94	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-69.3	-31.1	176.3	-68.6	-28.8	0	0	0	111.6	L464 H468 I473 Y474 R475 H529 S530 A535 L536	L464-D532 HydrophobicContact CD1-CB 4.18Å; L464-D532 HydrophobicContact CD2-CB 3.9Å; H468-D532 IonicContact CD2-OD2 3.66Å; H468-D532 IonicContact CE1-OD2 3.8Å; H468-D532 IonicContact NE2-OD2 2.7Å; H468-D532 PolarHBondContact NE2-OD2 2.86Å; I473-D532 WeakPolarHBondContact CG1-OD2 3.48Å; Y474-D532 PolarHBondContact N-OD1 3.49Å; Y474-D532 PolarHBondContact N-OD2 2.81Å; R475-D532 PolarHBondContact N-OD1 3.31Å; H529-D532 PolarHBondContact O-N 3.07Å; H529-D532 VanDerWaalsContact O-N 3.11Å; S530-D532 VanDerWaalsContact C-N 3.27Å; S530-D532 PolarHBondContact O-N 3.01Å; D532-A535 PolarHBondContact O-N 2.8Å; D532-L536 WeakPolarHBondContact O-CB 3.41Å; D532-L536 PolarHBondContact O-N 2.92Å
533	F	98.1	Very high	94.3	Very high	5 Å²	5	8.2 Å²	8.2	2%	0.022	4%	0.041	C	C	.	.	H	α-helix	trans	-70.7	-37.7	174	-62.6	-59.5	0	0	0	112.1	H468 S530 A531 L536 G537 L587 R595 G597 C598 F603 L606	H468-F533 AromaticContact CE1-CZ 3.94Å; H468-F533 AromaticContact ND1-CZ 3.81Å; S530-F533 PolarHBondContact O-N 3.19Å; A531-F533 VanDerWaalsContact C-N 3.32Å; A531-F533 PolarHBondContact O-N 2.97Å; F533-L536 WeakPolarHBondContact O-CB 3.4Å; F533-L536 PolarHBondContact O-N 3.2Å; F533-G537 PolarHBondContact O-N 2.82Å; F533-G537 VanDerWaalsContact O-N 3.14Å; F533-L587 HydrophobicContact CB-CD2 3.98Å; F533-L587 HydrophobicContact CD1-CD2 4.36Å; F533-R595 HydrophobicContact CB-CB 4.5Å; F533-G597 VanDerWaalsContact CE2-C 3.49Å; F533-C598 WeakPolarHBondContact CD2-SG 3.43Å; F533-F603 HydrophobicContact CE1-CD1 4.26Å; F533-F603 AromaticContact CE1-CE1 3.69Å; F533-F603 HydrophobicContact CE1-CE1 3.69Å; F533-F603 HydrophobicContact CE1-CE2 4.1Å; F533-F603 AromaticContact CE1-CZ 3.58Å; F533-F603 HydrophobicContact CE1-CZ 3.58Å; F533-F603 HydrophobicContact CZ-CD2 4.29Å; F533-F603 HydrophobicContact CZ-CE1 4.13Å; F533-F603 AromaticContact CZ-CE2 3.67Å; F533-F603 HydrophobicContact CZ-CE2 3.67Å; F533-F603 AromaticContact CZ-CZ 3.57Å; F533-F603 HydrophobicContact CZ-CZ 3.57Å; F533-L606 HydrophobicContact CE1-CD2 4.42Å
534	W	97.9	Very high	94.7	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58	-52.2	170.4	173.3	-82.9	0	0	0	110.5	V517 A518 P519 S530 A531 L536 G537 I538 F550 I562 C588	V517-W534 PolarHBondContact O-NE1 3.18Å; A518-W534 HydrophobicContact CB-CB 3.88Å; A518-W534 HydrophobicContact CB-CD2 4.23Å; A518-W534 HydrophobicContact CB-CG 3.7Å; P519-W534 HydrophobicContact CG-CE3 4.14Å; P519-W534 HydrophobicContact CG-CH2 4.13Å; P519-W534 HydrophobicContact CG-CZ3 3.83Å; S530-W534 PolarHBondContact O-N 3.49Å; A531-W534 WeakPolarHBondContact O-CB 3.29Å; A531-W534 PolarHBondContact O-N 3.48Å; W534-L536 PolarHBondContact O-N 3.31Å; W534-G537 WeakPolarHBondContact O-CA 3.28Å; W534-G537 PolarHBondContact O-N 3.05Å; W534-I538 HydrophobicContact CZ2-CD1 4.44Å; W534-I538 PolarHBondContact O-N 3.36Å; W534-I538 VanDerWaalsContact O-N 3.16Å; W534-F550 HydrophobicContact CH2-CE2 4.27Å; W534-F550 HydrophobicContact CZ2-CD2 4.46Å; W534-F550 AromaticContact CZ2-CE2 3.82Å; W534-F550 HydrophobicContact CZ2-CE2 3.82Å; W534-F550 HydrophobicContact CZ2-CZ 4.49Å; W534-I562 HydrophobicContact CH2-CG2 4.18Å; W534-I562 HydrophobicContact CZ2-CG2 3.65Å; W534-C588 HydrophobicContact CD2-CB 4.37Å; W534-C588 HydrophobicContact CE3-CB 3.87Å; W534-C588 HydrophobicContact CH2-CB 4.26Å; W534-C588 HydrophobicContact CZ3-CB 3.82Å; W534-C588 WeakPolarHBondContact CZ3-O 3.18Å
535	A	98.1	Very high	95	Very high	5 Å²	5	8.2 Å²	8.2	4%	0.041	4%	0.041	C	C	.	.	H	α-helix	trans	-60	-33	178.9	0	0	0	0	0	112.3	L477 Y516 A531 D532 I538 F539	L477-A535 HydrophobicContact CB-CB 4Å; L477-A535 HydrophobicContact CD2-CB 4.4Å; Y516-A535 HydrophobicContact CD1-CB 4.24Å; A531-A535 PolarHBondContact O-N 2.95Å; D532-A535 PolarHBondContact O-N 2.8Å; A535-I538 PolarHBondContact O-N 2.89Å; A535-F539 VanDerWaalsContact O-CB 3.29Å; A535-F539 WeakPolarHBondContact O-CB 3.44Å; A535-F539 PolarHBondContact O-N 3.1Å
536	L	98.4	Very high	95.5	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-63.5	-38.9	173.5	-173	66.2	0	0	0	112.3	V457 V460 V461 L477 D532 F533 W534 F539 I540 L587 L606	V457-L536 HydrophobicContact CG1-CD1 3.97Å; V457-L536 HydrophobicContact CG1-CG 4.5Å; V460-L536 HydrophobicContact CB-CD1 4.27Å; V460-L536 HydrophobicContact CG1-CD1 3.67Å; V461-L536 HydrophobicContact CG2-CD2 3.8Å; L477-L536 HydrophobicContact CD2-CB 4.15Å; L477-L536 HydrophobicContact CD2-CD1 4.02Å; D532-L536 WeakPolarHBondContact O-CB 3.41Å; D532-L536 PolarHBondContact O-N 2.92Å; F533-L536 WeakPolarHBondContact O-CB 3.4Å; F533-L536 PolarHBondContact O-N 3.2Å; W534-L536 PolarHBondContact O-N 3.31Å; L536-F539 HydrophobicContact CD1-CD1 4.48Å; L536-F539 WeakPolarHBondContact O-CB 3.42Å; L536-F539 PolarHBondContact O-N 3.43Å; L536-I540 HydrophobicContact CG-CD1 4.38Å; L536-I540 WeakPolarHBondContact O-CD1 3.45Å; L536-I540 VanDerWaalsContact O-CG1 3.29Å; L536-I540 WeakPolarHBondContact O-CG1 3.43Å; L536-I540 PolarHBondContact O-N 3.22Å; L536-L587 HydrophobicContact CB-CD1 4.46Å; L536-L587 HydrophobicContact CD2-CD1 4.2Å; L536-L587 HydrophobicContact CD2-CD2 4.26Å; L536-L587 HydrophobicContact CG-CD1 4.2Å; L536-L606 HydrophobicContact CD2-CD2 3.82Å
537	G	97.1	Very high	95.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.3	-44.5	174	0	0	0	0	0	112.3	F533 W534 F539 I540 C541	F533-G537 PolarHBondContact O-N 2.82Å; F533-G537 VanDerWaalsContact O-N 3.14Å; W534-G537 WeakPolarHBondContact O-CA 3.28Å; W534-G537 PolarHBondContact O-N 3.05Å; G537-F539 VanDerWaalsContact C-N 3.33Å; G537-F539 PolarHBondContact O-N 3.49Å; G537-I540 PolarHBondContact O-N 3.36Å; G537-C541 PolarHBondContact O-N 3.13Å; G537-C541 VanDerWaalsContact O-N 3.15Å
538	I	96.7	Very high	95.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.2	-44	173.1	-55.6	-52	0	0	0	110.8	E515 Y516 W534 A535 C541 E542 P548 P549 F550	E515-I538 WeakPolarHBondContact O-CG2 3.28Å; Y516-I538 HydrophobicContact CD1-CB 3.68Å; Y516-I538 HydrophobicContact CD1-CG2 3.45Å; Y516-I538 VanDerWaalsContact CD1-CG2 3.45Å; Y516-I538 HydrophobicContact CD2-CG2 4.29Å; Y516-I538 HydrophobicContact CE1-CB 3.88Å; Y516-I538 HydrophobicContact CE1-CG2 3.48Å; Y516-I538 VanDerWaalsContact CE1-CG2 3.48Å; Y516-I538 HydrophobicContact CE2-CG2 4.33Å; Y516-I538 HydrophobicContact CG-CB 4.43Å; Y516-I538 HydrophobicContact CG-CG2 3.89Å; W534-I538 HydrophobicContact CZ2-CD1 4.44Å; W534-I538 PolarHBondContact O-N 3.36Å; W534-I538 VanDerWaalsContact O-N 3.16Å; A535-I538 PolarHBondContact O-N 2.89Å; I538-C541 WeakPolarHBondContact O-CB 3.32Å; I538-C541 PolarHBondContact O-N 3.14Å; I538-E542 PolarHBondContact O-N 3.16Å; I538-P548 HydrophobicContact CG2-CB 4.11Å; I538-P549 HydrophobicContact CD1-CG 3.71Å; I538-F550 HydrophobicContact CD1-CD2 3.71Å; I538-F550 HydrophobicContact CD1-CE2 3.72Å
539	F	97.8	Very high	95.6	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.9	-46.6	178.5	-175.9	-99.7	0	0	0	112.1	L438 V457 V460 L477 P479 Y516 A535 L536 G537 C541 E542 L543	L438-F539 HydrophobicContact CD2-CE2 4.11Å; L438-F539 HydrophobicContact CD2-CZ 3.61Å; V457-F539 HydrophobicContact CG2-CD1 4.03Å; V457-F539 HydrophobicContact CG2-CE1 4.08Å; V460-F539 HydrophobicContact CG2-CE1 3.97Å; V460-F539 HydrophobicContact CG2-CZ 4.11Å; L477-F539 HydrophobicContact CD1-CD2 4.24Å; L477-F539 HydrophobicContact CD1-CE2 4.4Å; L477-F539 HydrophobicContact CD2-CB 4.11Å; L477-F539 HydrophobicContact CD2-CG 4.34Å; L477-F539 HydrophobicContact CG-CB 4.33Å; L477-F539 HydrophobicContact CG-CD2 4.2Å; L477-F539 HydrophobicContact CG-CG 4.33Å; P479-F539 HydrophobicContact CG-CD2 4.23Å; P479-F539 HydrophobicContact CG-CE2 3.97Å; Y516-F539 HydrophobicContact CE1-CB 4.11Å; A535-F539 VanDerWaalsContact O-CB 3.29Å; A535-F539 WeakPolarHBondContact O-CB 3.44Å; A535-F539 PolarHBondContact O-N 3.1Å; L536-F539 HydrophobicContact CD1-CD1 4.48Å; L536-F539 WeakPolarHBondContact O-CB 3.42Å; L536-F539 PolarHBondContact O-N 3.43Å; G537-F539 VanDerWaalsContact C-N 3.33Å; G537-F539 PolarHBondContact O-N 3.49Å; F539-C541 VanDerWaalsContact C-N 3.34Å; F539-C541 PolarHBondContact O-N 2.83Å; F539-E542 PolarHBondContact O-N 2.95Å; F539-L543 HydrophobicContact CD1-CD1 4.1Å; F539-L543 HydrophobicContact CD1-CG 4.28Å; F539-L543 HydrophobicContact CE1-CD1 3.52Å; F539-L543 HydrophobicContact CE1-CG 4.05Å; F539-L543 HydrophobicContact CE2-CD2 4.37Å; F539-L543 HydrophobicContact CZ-CD1 3.91Å; F539-L543 HydrophobicContact CZ-CD2 4.19Å; F539-L543 HydrophobicContact CZ-CG 4.23Å; F539-L543 WeakPolarHBondContact O-CG 3.25Å; F539-L543 PolarHBondContact O-N 2.75Å
540	I	97	Very high	95.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-57.8	-47.8	175.3	-68.3	158.8	0	0	0	110.9	V457 L536 G537 E542 L543 L544 L583 V584 L587 W611	V457-I540 HydrophobicContact CB-CG1 4.42Å; V457-I540 HydrophobicContact CG1-CD1 4.06Å; V457-I540 HydrophobicContact CG1-CG1 3.84Å; V457-I540 HydrophobicContact CG2-CG1 3.64Å; L536-I540 HydrophobicContact CG-CD1 4.38Å; L536-I540 WeakPolarHBondContact O-CD1 3.45Å; L536-I540 VanDerWaalsContact O-CG1 3.29Å; L536-I540 WeakPolarHBondContact O-CG1 3.43Å; L536-I540 PolarHBondContact O-N 3.22Å; G537-I540 PolarHBondContact O-N 3.36Å; I540-E542 VanDerWaalsContact C-N 3.32Å; I540-E542 PolarHBondContact O-N 3.34Å; I540-L543 PolarHBondContact O-N 2.65Å; I540-L544 HydrophobicContact CG2-CD1 3.85Å; I540-L544 WeakPolarHBondContact O-CG 3.15Å; I540-L544 PolarHBondContact O-N 3.44Å; I540-L544 VanDerWaalsContact O-N 3.17Å; I540-L583 HydrophobicContact CD1-CD2 3.73Å; I540-L583 HydrophobicContact CD1-CG 4.03Å; I540-V584 HydrophobicContact CB-CG2 4.09Å; I540-V584 HydrophobicContact CG2-CG2 3.78Å; I540-L587 HydrophobicContact CD1-CD1 3.54Å; I540-W611 HydrophobicContact CG2-CH2 4.44Å
541	C	94.6	Very high	95.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.5	-45.6	177.2	-93.5	0	0	0	0	111.9	G537 I538 F539 L544 M545 P549	G537-C541 PolarHBondContact O-N 3.13Å; G537-C541 VanDerWaalsContact O-N 3.15Å; I538-C541 WeakPolarHBondContact O-CB 3.32Å; I538-C541 PolarHBondContact O-N 3.14Å; F539-C541 VanDerWaalsContact C-N 3.34Å; F539-C541 PolarHBondContact O-N 2.83Å; C541-L544 PolarHBondContact O-N 3.46Å; C541-M545 HydrophobicContact CB-CE 3.68Å; C541-M545 VanDerWaalsContact O-CB 3.29Å; C541-M545 WeakPolarHBondContact O-CB 3.31Å; C541-M545 WeakPolarHBondContact O-CG 3.39Å; C541-M545 PolarHBondContact O-N 2.79Å; C541-P549 HydrophobicContact CB-CB 4.22Å; C541-P549 HydrophobicContact CB-CG 3.84Å
542	E	95.7	Very high	94.6	Very high	5 Å²	5	14.6 Å²	14.6	2%	0.023	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-43.5	-179.8	-179.7	155.1	165.1	0	0	113	K48 L442 P479 Y516 I538 F539 I540 L544 M545 G546 R547 P548	K48-E542 IonicContact NZ-OE1 2.62Å; K48-E542 PolarHBondContact NZ-OE1 3Å; K48-E542 IonicContact NZ-OE2 3.5Å; K48-E542 PolarHBondContact NZ-OE2 2.98Å; L442-E542 HydrophobicContact CD2-CG 3.76Å; P479-E542 HydrophobicContact CG-CG 4.3Å; Y516-E542 PolarHBondContact OH-OE2 3.31Å; I538-E542 PolarHBondContact O-N 3.16Å; F539-E542 PolarHBondContact O-N 2.95Å; I540-E542 VanDerWaalsContact C-N 3.32Å; I540-E542 PolarHBondContact O-N 3.34Å; E542-L544 VanDerWaalsContact C-N 3.26Å; E542-L544 PolarHBondContact O-N 3.32Å; E542-M545 PolarHBondContact O-N 2.79Å; E542-G546 VanDerWaalsContact O-CA 3.27Å; E542-G546 WeakPolarHBondContact O-CA 3.44Å; E542-G546 PolarHBondContact O-N 2.9Å; E542-R547 WeakPolarHBondContact CA-O 3.29Å; E542-P548 WeakPolarHBondContact OE2-CD 3.08Å
543	L	96.8	Very high	93.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-37.8	176.7	-66	-163.5	0	0	0	112.1	L438 L442 F448 A453 F456 V457 P479 F539 I540	L438-L543 HydrophobicContact CD2-CD2 4.01Å; L442-L543 HydrophobicContact CD2-CD2 4.1Å; F448-L543 HydrophobicContact CD2-CB 4.11Å; F448-L543 HydrophobicContact CD2-CD1 4.32Å; F448-L543 HydrophobicContact CD2-CD2 3.95Å; F448-L543 HydrophobicContact CD2-CG 4.34Å; F448-L543 HydrophobicContact CE2-CD2 3.89Å; F448-L543 PolarHBondContact N-O 2.67Å; A453-L543 HydrophobicContact CB-CB 4.05Å; A453-L543 HydrophobicContact CB-CD1 4.28Å; F456-L543 HydrophobicContact CB-CD1 4.16Å; V457-L543 HydrophobicContact CG2-CD1 4.11Å; P479-L543 HydrophobicContact CG-CD2 4.25Å; F539-L543 HydrophobicContact CD1-CD1 4.1Å; F539-L543 HydrophobicContact CD1-CG 4.28Å; F539-L543 HydrophobicContact CE1-CD1 3.52Å; F539-L543 HydrophobicContact CE1-CG 4.05Å; F539-L543 HydrophobicContact CE2-CD2 4.37Å; F539-L543 HydrophobicContact CZ-CD1 3.91Å; F539-L543 HydrophobicContact CZ-CD2 4.19Å; F539-L543 HydrophobicContact CZ-CG 4.23Å; F539-L543 WeakPolarHBondContact O-CG 3.25Å; F539-L543 PolarHBondContact O-N 2.75Å; I540-L543 PolarHBondContact O-N 2.65Å
544	L	95.1	Very high	92.9	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-85.5	-24.6	-176.7	-64.1	173.6	0	0	0	113.8	E450 A453 I540 C541 E542 I576 A580	E450-L544 HydrophobicContact CG-CD2 4.02Å; A453-L544 HydrophobicContact CB-CD2 3.62Å; A453-L544 HydrophobicContact CB-CG 4.2Å; I540-L544 HydrophobicContact CG2-CD1 3.85Å; I540-L544 WeakPolarHBondContact O-CG 3.15Å; I540-L544 PolarHBondContact O-N 3.44Å; I540-L544 VanDerWaalsContact O-N 3.17Å; C541-L544 PolarHBondContact O-N 3.46Å; E542-L544 VanDerWaalsContact C-N 3.26Å; E542-L544 PolarHBondContact O-N 3.32Å; L544-I576 HydrophobicContact CB-CD1 4.25Å; L544-I576 HydrophobicContact CB-CG1 3.84Å; L544-I576 HydrophobicContact CD1-CG1 4.05Å; L544-I576 HydrophobicContact CD1-CG2 4.18Å; L544-A580 HydrophobicContact CD1-CB 3.93Å
545	M	92.3	Very high	92.1	Very high	30 Å²	30	22.4 Å²	22.4	15%	0.148	13%	0.127	C	C	.	.	H	α-helix	trans	-107.3	-17.2	-177.9	-62.5	-171.1	-61.5	0	0	114.1	C541 E542 R547 P549 P572 I576	C541-M545 HydrophobicContact CB-CE 3.68Å; C541-M545 VanDerWaalsContact O-CB 3.29Å; C541-M545 WeakPolarHBondContact O-CB 3.31Å; C541-M545 WeakPolarHBondContact O-CG 3.39Å; C541-M545 PolarHBondContact O-N 2.79Å; E542-M545 PolarHBondContact O-N 2.79Å; M545-R547 HydrophobicContact CB-CG 4.4Å; M545-P549 HydrophobicContact CE-CB 3.96Å; M545-P572 HydrophobicContact SD-CG 4.23Å; M545-I576 HydrophobicContact CE-CD1 4.36Å; M545-I576 HydrophobicContact CG-CD1 3.57Å; M545-I576 HydrophobicContact CG-CG1 4.17Å; M545-I576 HydrophobicContact SD-CD1 3.72Å
546	G	92.5	Very high	91.4	Very high	8 Å²	8	23.1 Å²	23.1	8%	0.082	13%	0.129	C	C	.	.	S	Bend	trans	80.7	-0.5	-170.8	0	0	0	0	0	114.9	N45 G446 E542	N45-G546 PolarHBondContact ND2-O 2.9Å; G446-G546 WeakPolarHBondContact O-CA 3.35Å; E542-G546 VanDerWaalsContact O-CA 3.27Å; E542-G546 WeakPolarHBondContact O-CA 3.44Å; E542-G546 PolarHBondContact O-N 2.9Å
547	R	91.9	Very high	90.8	Very high	108 Å²	108	29 Å²	29	41%	0.408	16%	0.155	S	C	.	.	S	Bend	trans	-153.7	151.9	-178.2	65.9	177.7	-176.3	177.8	0.7	110.9	E542 M545	E542-R547 WeakPolarHBondContact CA-O 3.29Å; M545-R547 HydrophobicContact CB-CG 4.4Å
548	P	92.5	Very high	90.5	Very high	5 Å²	5	29 Å²	29	3%	0.032	16%	0.155	C	C	.	.			trans	-66.2	152.8	176.3	24.8	-28.3	0	0	0	110.8	E515 I538 E542 Q551	E515-P548 HydrophobicContact CB-CB 3.88Å; E515-P548 HydrophobicContact CB-CG 3.84Å; E515-P548 HydrophobicContact CG-CB 4.35Å; E515-P548 HydrophobicContact CG-CG 3.79Å; I538-P548 HydrophobicContact CG2-CB 4.11Å; E542-P548 WeakPolarHBondContact OE2-CD 3.08Å; P548-Q551 HydrophobicContact CG-CB 4.21Å; P548-Q551 HydrophobicContact CG-CG 4.38Å
549	P	91.1	Very high	90.1	Very high	28 Å²	28	29 Å²	29	18%	0.182	16%	0.155	C	C	.	.	S	Bend	trans	-70.9	-31.6	-176.9	29.2	-32.7	0	0	0	112.6	I538 C541 M545 L569	I538-P549 HydrophobicContact CD1-CG 3.71Å; C541-P549 HydrophobicContact CB-CB 4.22Å; C541-P549 HydrophobicContact CB-CG 3.84Å; M545-P549 HydrophobicContact CE-CB 3.96Å; P549-L569 HydrophobicContact CB-CD1 3.7Å; P549-L569 HydrophobicContact CB-CD2 3.77Å; P549-L569 HydrophobicContact CB-CG 4.39Å; P549-L569 HydrophobicContact CG-CD1 4.22Å
550	F	91.1	Very high	89.7	Confident	5 Å²	5	30.2 Å²	30.2	2%	0.022	16%	0.162	C	C	.	.	S	Bend	trans	-108.2	103.5	174.8	-49.4	-74.6	0	0	0	109.1	E515 W534 I538 L561 I562 L569	E515-F550 WeakPolarHBondContact CG-O 3.48Å; W534-F550 HydrophobicContact CH2-CE2 4.27Å; W534-F550 HydrophobicContact CZ2-CD2 4.46Å; W534-F550 AromaticContact CZ2-CE2 3.82Å; W534-F550 HydrophobicContact CZ2-CE2 3.82Å; W534-F550 HydrophobicContact CZ2-CZ 4.49Å; I538-F550 HydrophobicContact CD1-CD2 3.71Å; I538-F550 HydrophobicContact CD1-CE2 3.72Å; F550-L561 HydrophobicContact CB-CB 4.3Å; F550-L561 HydrophobicContact CD1-CB 4.02Å; F550-L561 WeakPolarHBondContact CE1-O 3.43Å; F550-I562 HydrophobicContact CB-CG1 3.76Å; F550-I562 HydrophobicContact CD1-CG1 4.5Å; F550-I562 HydrophobicContact CD2-CG1 3.79Å; F550-I562 HydrophobicContact CE2-CG1 4.49Å; F550-I562 HydrophobicContact CG-CG1 3.79Å; F550-L569 HydrophobicContact CD1-CD2 3.47Å; F550-L569 VanDerWaalsContact CD1-CD2 3.47Å; F550-L569 HydrophobicContact CD1-CG 4.22Å; F550-L569 HydrophobicContact CE1-CD1 3.9Å; F550-L569 HydrophobicContact CE1-CD2 3.21Å; F550-L569 HydrophobicContact CE1-CG 3.45Å; F550-L569 VanDerWaalsContact CE1-CG 3.45Å; F550-L569 HydrophobicContact CE2-CD1 3.98Å; F550-L569 HydrophobicContact CE2-CD2 4.44Å; F550-L569 HydrophobicContact CE2-CG 4.44Å; F550-L569 HydrophobicContact CG-CD2 4.23Å; F550-L569 HydrophobicContact CZ-CD1 3.51Å; F550-L569 HydrophobicContact CZ-CD2 3.76Å; F550-L569 HydrophobicContact CZ-CG 3.59Å
551	Q	87.6	Confident	89.4	Confident	71 Å²	71	33.2 Å²	33.2	33%	0.332	18%	0.178	S	C	.	.			trans	-144.3	133	177.1	-162.8	179.4	11.8	0	0	110.4	E515 P548	E515-Q551 HydrophobicContact CG-CG 4.33Å; P548-Q551 HydrophobicContact CG-CB 4.21Å; P548-Q551 HydrophobicContact CG-CG 4.38Å
552	A	86.9	Confident	89.3	Confident	32 Å²	32	33.2 Å²	33.2	26%	0.264	18%	0.178	S	C	.	.			trans	-139.7	167.5	173	0	0	0	0	0	110.7	D554 K557 T558 L561	A552-D554 PolarHBondContact O-N 2.84Å; A552-K557 HydrophobicContact CB-CB 3.45Å; A552-K557 VanDerWaalsContact CB-CB 3.45Å; A552-T558 PolarHBondContact N-OG1 3.05Å; A552-T558 VanDerWaalsContact N-OG1 3.13Å; A552-L561 HydrophobicContact CB-CD1 4.25Å
553	S	81.2	Confident	89.1	Confident	104 Å²	104	33.7 Å²	33.7	73%	0.727	18%	0.181	S	C	*	.	S	Bend	trans	-67.2	-17.5	178.6	65	0	0	0	0	114.2
554	D	79	Confident	88.7	Confident	38 Å²	38	39.1 Å²	39.1	20%	0.203	20%	0.204	C	C	.	.	S	Bend	trans	-130.6	134.2	-177.5	177.1	86.5	0	0	0	109.4	A552 M556 K557 T558	A552-D554 PolarHBondContact O-N 2.84Å; D554-M556 VanDerWaalsContact C-N 3.31Å; D554-M556 PolarHBondContact O-N 3.4Å; D554-M556 WeakPolarHBondContact OD2-CB 3.47Å; D554-M556 PolarHBondContact OD2-N 3.48Å; D554-K557 HydrophobicContact CB-CD 4.35Å; D554-K557 HydrophobicContact CB-CG 4.27Å; D554-K557 WeakPolarHBondContact O-CB 3.44Å; D554-K557 PolarHBondContact O-N 3.47Å; D554-T558 PolarHBondContact O-N 2.88Å; D554-T558 VanDerWaalsContact O-N 3.11Å
555	P	81.7	Confident	88.3	Confident	27 Å²	27	39 Å²	39	18%	0.175	20%	0.204	C	C	.	.	H	α-helix	trans	-54.5	-37.9	-179.1	-29.2	36.2	0	0	0	114.8	L154 K557 T558 Y559	L154-P555 HydrophobicContact CD1-CB 4.19Å; P555-K557 VanDerWaalsContact C-N 3.3Å; P555-K557 PolarHBondContact O-N 2.84Å; P555-T558 WeakPolarHBondContact O-CB 3.42Å; P555-T558 PolarHBondContact O-N 2.55Å; P555-T558 VanDerWaalsContact O-N 3.14Å; P555-Y559 HydrophobicContact CB-CE2 4.13Å; P555-Y559 VanDerWaalsContact O-CD2 3.23Å; P555-Y559 WeakPolarHBondContact O-CD2 3.13Å; P555-Y559 VanDerWaalsContact O-CG 3.29Å; P555-Y559 PolarHBondContact O-N 3.06Å
556	M	82.5	Confident	88	Confident	20 Å²	20	37.7 Å²	37.7	10%	0.099	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-35	177.6	-76.9	-48.3	-91.7	0	0	112.2	F88 E153 L154 L157 D554 T558 Y559 T560	F88-M556 HydrophobicContact CB-CE 3.92Å; F88-M556 HydrophobicContact CD1-CE 3.92Å; F88-M556 HydrophobicContact CD2-CE 4.22Å; F88-M556 HydrophobicContact CG-CE 3.74Å; E153-M556 HydrophobicContact CB-CE 4.09Å; E153-M556 HydrophobicContact CG-CE 3.3Å; L154-M556 HydrophobicContact CB-CG 3.5Å; L154-M556 HydrophobicContact CB-SD 3.77Å; L154-M556 HydrophobicContact CD1-CG 3.52Å; L154-M556 HydrophobicContact CD1-SD 3.24Å; L154-M556 WeakPolarHBondContact CD1-SD 3.45Å; L154-M556 HydrophobicContact CD2-CG 4.22Å; L154-M556 HydrophobicContact CG-CG 3.87Å; L154-M556 HydrophobicContact CG-SD 4.02Å; L157-M556 HydrophobicContact CD1-CE 4.01Å; L157-M556 HydrophobicContact CD1-SD 3.62Å; D554-M556 VanDerWaalsContact C-N 3.31Å; D554-M556 PolarHBondContact O-N 3.4Å; D554-M556 WeakPolarHBondContact OD2-CB 3.47Å; D554-M556 PolarHBondContact OD2-N 3.48Å; M556-T558 VanDerWaalsContact C-N 3.33Å; M556-Y559 PolarHBondContact O-N 3.4Å; M556-Y559 HydrophobicContact SD-CD2 3.76Å; M556-Y559 HydrophobicContact SD-CE2 4.38Å; M556-T560 WeakPolarHBondContact O-CB 3.12Å; M556-T560 PolarHBondContact O-N 2.82Å; M556-T560 PolarHBondContact O-OG1 2.95Å
557	K	86.2	Confident	87.6	Confident	124 Å²	124	42.1 Å²	42.1	54%	0.539	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-40.9	173.7	-67.6	-175.9	180	-178	0	110.6	A552 D554 P555 T560 L561	A552-K557 HydrophobicContact CB-CB 3.45Å; A552-K557 VanDerWaalsContact CB-CB 3.45Å; D554-K557 HydrophobicContact CB-CD 4.35Å; D554-K557 HydrophobicContact CB-CG 4.27Å; D554-K557 WeakPolarHBondContact O-CB 3.44Å; D554-K557 PolarHBondContact O-N 3.47Å; P555-K557 VanDerWaalsContact C-N 3.3Å; P555-K557 PolarHBondContact O-N 2.84Å; K557-T560 PolarHBondContact O-N 3.33Å; K557-L561 WeakPolarHBondContact O-CG 3.33Å; K557-L561 PolarHBondContact O-N 3.29Å
558	T	89.7	Confident	87.1	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-48.4	173.7	-59.9	0	0	0	0	111	E515 A552 D554 P555 M556 T560 L561 I562	E515-T558 HydrophobicContact CG-CG2 4.15Å; A552-T558 PolarHBondContact N-OG1 3.05Å; A552-T558 VanDerWaalsContact N-OG1 3.13Å; D554-T558 PolarHBondContact O-N 2.88Å; D554-T558 VanDerWaalsContact O-N 3.11Å; P555-T558 WeakPolarHBondContact O-CB 3.42Å; P555-T558 PolarHBondContact O-N 2.55Å; P555-T558 VanDerWaalsContact O-N 3.14Å; M556-T558 VanDerWaalsContact C-N 3.33Å; T558-T560 VanDerWaalsContact C-N 3.34Å; T558-T560 PolarHBondContact O-N 2.94Å; T558-L561 WeakPolarHBondContact O-CB 3.27Å; T558-L561 PolarHBondContact O-N 3.01Å; T558-L561 VanDerWaalsContact O-N 3.14Å; T558-I562 HydrophobicContact CG2-CD1 4.08Å; T558-I562 WeakPolarHBondContact O-CG1 3.41Å; T558-I562 PolarHBondContact O-N 3.01Å
559	Y	90	Very high	86.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-39.3	176.7	-58.5	-35.4	0	0	0	112.9	L154 L157 Y158 F510 P514 I522 P555 M556 L561 I562 L563	L154-Y559 HydrophobicContact CD1-CD2 4.37Å; L154-Y559 HydrophobicContact CD1-CE2 3.91Å; L157-Y559 HydrophobicContact CD1-CD2 3.48Å; L157-Y559 VanDerWaalsContact CD1-CD2 3.48Å; L157-Y559 HydrophobicContact CD1-CE2 3.69Å; L157-Y559 HydrophobicContact CD1-CG 4.42Å; Y158-Y559 AromaticContact CE1-CE2 3.86Å; Y158-Y559 HydrophobicContact CE1-CE2 3.86Å; Y158-Y559 VanDerWaalsContact CE1-OH 3.29Å; Y158-Y559 WeakPolarHBondContact CE1-OH 3.07Å; F510-Y559 HydrophobicContact CZ-CE1 4.28Å; F510-Y559 HydrophobicContact CZ-CE2 4.23Å; F510-Y559 AromaticContact CZ-CZ 3.79Å; P514-Y559 HydrophobicContact CB-CE1 3.86Å; I522-Y559 HydrophobicContact CD1-CD1 3.53Å; I522-Y559 HydrophobicContact CD1-CE1 4.36Å; I522-Y559 HydrophobicContact CD1-CG 4.05Å; I522-Y559 HydrophobicContact CG1-CD1 3.77Å; I522-Y559 HydrophobicContact CG1-CE1 4.3Å; I522-Y559 HydrophobicContact CG1-CG 4.14Å; I522-Y559 HydrophobicContact CG2-CG 4.4Å; P555-Y559 HydrophobicContact CB-CE2 4.13Å; P555-Y559 VanDerWaalsContact O-CD2 3.23Å; P555-Y559 WeakPolarHBondContact O-CD2 3.13Å; P555-Y559 VanDerWaalsContact O-CG 3.29Å; P555-Y559 PolarHBondContact O-N 3.06Å; M556-Y559 PolarHBondContact O-N 3.4Å; M556-Y559 HydrophobicContact SD-CD2 3.76Å; M556-Y559 HydrophobicContact SD-CE2 4.38Å; Y559-L561 VanDerWaalsContact C-N 3.27Å; Y559-L561 PolarHBondContact O-N 3.45Å; Y559-I562 HydrophobicContact CD1-CD1 4.28Å; Y559-I562 WeakPolarHBondContact O-CB 3.36Å; Y559-I562 PolarHBondContact O-N 2.77Å; Y559-L563 VanDerWaalsContact O-CG 3.3Å; Y559-L563 WeakPolarHBondContact O-CG 2.89Å; Y559-L563 PolarHBondContact O-N 2.72Å
560	T	88.3	Confident	85.6	Confident	24 Å²	24	47.4 Å²	47.4	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-36.6	175.1	-58.4	0	0	0	0	111.5	D87 M556 K557 T558 K564	D87-T560 HydrophobicContact CB-CG2 3.75Å; M556-T560 WeakPolarHBondContact O-CB 3.12Å; M556-T560 PolarHBondContact O-N 2.82Å; M556-T560 PolarHBondContact O-OG1 2.95Å; K557-T560 PolarHBondContact O-N 3.33Å; T558-T560 VanDerWaalsContact C-N 3.34Å; T558-T560 PolarHBondContact O-N 2.94Å; T560-K564 WeakPolarHBondContact O-CG 3.48Å; T560-K564 PolarHBondContact O-N 3.32Å
561	L	90.7	Very high	84.8	Confident	63 Å²	63	47.8 Å²	47.8	33%	0.33	27%	0.265	S	S	.	.	H	α-helix	trans	-68	-42	173.6	-69.3	172.2	0	0	0	111.6	F550 A552 K557 T558 Y559 K564	F550-L561 HydrophobicContact CB-CB 4.3Å; F550-L561 HydrophobicContact CD1-CB 4.02Å; F550-L561 WeakPolarHBondContact CE1-O 3.43Å; A552-L561 HydrophobicContact CB-CD1 4.25Å; K557-L561 WeakPolarHBondContact O-CG 3.33Å; K557-L561 PolarHBondContact O-N 3.29Å; T558-L561 WeakPolarHBondContact O-CB 3.27Å; T558-L561 PolarHBondContact O-N 3.01Å; T558-L561 VanDerWaalsContact O-N 3.14Å; Y559-L561 VanDerWaalsContact C-N 3.27Å; Y559-L561 PolarHBondContact O-N 3.45Å; L561-K564 WeakPolarHBondContact O-CB 3.44Å; L561-K564 PolarHBondContact O-N 3.1Å
562	I	92.2	Very high	84.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-46.5	175.6	-71.9	163.1	0	0	0	110.8	P514 P519 I522 W534 F550 T558 Y559 K564 G565	P514-I562 WeakPolarHBondContact O-CD1 3.48Å; P519-I562 HydrophobicContact CB-CG2 4.32Å; I522-I562 HydrophobicContact CD1-CB 3.92Å; I522-I562 HydrophobicContact CD1-CD1 3.92Å; I522-I562 HydrophobicContact CD1-CG2 3.53Å; W534-I562 HydrophobicContact CH2-CG2 4.18Å; W534-I562 HydrophobicContact CZ2-CG2 3.65Å; F550-I562 HydrophobicContact CB-CG1 3.76Å; F550-I562 HydrophobicContact CD1-CG1 4.5Å; F550-I562 HydrophobicContact CD2-CG1 3.79Å; F550-I562 HydrophobicContact CE2-CG1 4.49Å; F550-I562 HydrophobicContact CG-CG1 3.79Å; T558-I562 HydrophobicContact CG2-CD1 4.08Å; T558-I562 WeakPolarHBondContact O-CG1 3.41Å; T558-I562 PolarHBondContact O-N 3.01Å; Y559-I562 HydrophobicContact CD1-CD1 4.28Å; Y559-I562 WeakPolarHBondContact O-CB 3.36Å; Y559-I562 PolarHBondContact O-N 2.77Å; I562-K564 PolarHBondContact O-N 2.79Å; I562-G565 PolarHBondContact O-N 3.45Å
563	L	91.1	Very high	83.6	Confident	16 Å²	16	51 Å²	51	8%	0.084	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.8	-179.9	-65.7	178	0	0	0	114.3	F88 P519 I522 L523 Y559	F88-L563 HydrophobicContact CD2-CD1 3.72Å; F88-L563 HydrophobicContact CE2-CD1 4.31Å; P519-L563 HydrophobicContact CB-CD2 3.92Å; I522-L563 HydrophobicContact CB-CD2 4.34Å; I522-L563 HydrophobicContact CG2-CD1 3.81Å; I522-L563 HydrophobicContact CG2-CD2 3.99Å; I522-L563 HydrophobicContact CG2-CG 4Å; L523-L563 HydrophobicContact CD1-CD2 3.94Å; L523-L563 HydrophobicContact CD2-CD1 3.89Å; L523-L563 HydrophobicContact CD2-CD2 3.75Å; L523-L563 HydrophobicContact CD2-CG 4.49Å; L523-L563 HydrophobicContact CG-CD2 3.65Å; Y559-L563 VanDerWaalsContact O-CG 3.3Å; Y559-L563 WeakPolarHBondContact O-CG 2.89Å; Y559-L563 PolarHBondContact O-N 2.72Å
564	K	89.6	Confident	83.3	Confident	113 Å²	113	58 Å²	58	49%	0.491	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.2	169	-74.3	173.9	-177.7	-179.7	0	112.7	T560 L561 I562 A568	T560-K564 WeakPolarHBondContact O-CG 3.48Å; T560-K564 PolarHBondContact O-N 3.32Å; L561-K564 WeakPolarHBondContact O-CB 3.44Å; L561-K564 PolarHBondContact O-N 3.1Å; I562-K564 PolarHBondContact O-N 2.79Å; K564-A568 HydrophobicContact CB-CB 3.97Å
565	G	86.8	Confident	83.2	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.01	31%	0.31	C	S	.	.			trans	83.9	162.5	176.6	0	0	0	0	0	114.1	I562 D567 A568 D590	I562-G565 PolarHBondContact O-N 3.45Å; G565-D567 PolarHBondContact O-N 2.62Å; G565-A568 PolarHBondContact O-N 2.67Å; G565-D590 WeakPolarHBondContact CA-OD1 3.38Å
566	V	85.9	Confident	83.2	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.018	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63	-23.9	-179.5	74.5	0	0	0	0	112.8	A568 L569 V584 K585 C588	V566-A568 VanDerWaalsContact C-N 3.25Å; V566-A568 PolarHBondContact O-N 3.5Å; V566-L569 HydrophobicContact CB-CD1 4.4Å; V566-L569 HydrophobicContact CG2-CD1 3.66Å; V566-L569 VanDerWaalsContact O-CB 3.25Å; V566-L569 WeakPolarHBondContact O-CB 3.33Å; V566-L569 PolarHBondContact O-N 2.79Å; V566-L569 VanDerWaalsContact O-N 3.11Å; V566-V584 HydrophobicContact CG2-CG1 4.25Å; V566-K585 HydrophobicContact CG1-CB 4.5Å; V566-K585 HydrophobicContact CG1-CG 4.35Å; V566-K585 HydrophobicContact CG2-CG 4.23Å; V566-C588 HydrophobicContact CB-CB 3.86Å; V566-C588 WeakPolarHBondContact CB-O 3.33Å; V566-C588 HydrophobicContact CG1-CB 4.4Å; V566-C588 VanDerWaalsContact CG1-O 3.24Å; V566-C588 WeakPolarHBondContact CG1-O 3.36Å; V566-C588 HydrophobicContact CG2-CB 3.76Å
567	D	83.9	Confident	83.4	Confident	101 Å²	101	61.9 Å²	61.9	54%	0.54	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-73.7	-18.4	179.3	-74.1	-41.2	0	0	0	113.4	G565 L569 K585	G565-D567 PolarHBondContact O-N 2.62Å; D567-L569 VanDerWaalsContact C-N 3.29Å; D567-K585 IonicContact OD1-NZ 3Å; D567-K585 PolarHBondContact OD1-NZ 3.14Å
568	A	80.7	Confident	83.7	Confident	67 Å²	67	64.6 Å²	64.6	55%	0.554	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-80.9	-6.8	169.9	0	0	0	0	0	113.2	K564 G565 V566 D570	K564-A568 HydrophobicContact CB-CB 3.97Å; G565-A568 PolarHBondContact O-N 2.67Å; V566-A568 VanDerWaalsContact C-N 3.25Å; V566-A568 PolarHBondContact O-N 3.5Å; A568-D570 PolarHBondContact O-N 3.24Å
569	L	76.4	Confident	83.8	Confident	28 Å²	28	67 Å²	67	15%	0.147	33%	0.334	C	S	.	.			trans	-76.1	121.7	177.4	-68.9	175.4	0	0	0	111.5	P549 F550 V566 D567 I571	P549-L569 HydrophobicContact CB-CD1 3.7Å; P549-L569 HydrophobicContact CB-CD2 3.77Å; P549-L569 HydrophobicContact CB-CG 4.39Å; P549-L569 HydrophobicContact CG-CD1 4.22Å; F550-L569 HydrophobicContact CD1-CD2 3.47Å; F550-L569 VanDerWaalsContact CD1-CD2 3.47Å; F550-L569 HydrophobicContact CD1-CG 4.22Å; F550-L569 HydrophobicContact CE1-CD1 3.9Å; F550-L569 HydrophobicContact CE1-CD2 3.21Å; F550-L569 HydrophobicContact CE1-CG 3.45Å; F550-L569 VanDerWaalsContact CE1-CG 3.45Å; F550-L569 HydrophobicContact CE2-CD1 3.98Å; F550-L569 HydrophobicContact CE2-CD2 4.44Å; F550-L569 HydrophobicContact CE2-CG 4.44Å; F550-L569 HydrophobicContact CG-CD2 4.23Å; F550-L569 HydrophobicContact CZ-CD1 3.51Å; F550-L569 HydrophobicContact CZ-CD2 3.76Å; F550-L569 HydrophobicContact CZ-CG 3.59Å; V566-L569 HydrophobicContact CB-CD1 4.4Å; V566-L569 HydrophobicContact CG2-CD1 3.66Å; V566-L569 VanDerWaalsContact O-CB 3.25Å; V566-L569 WeakPolarHBondContact O-CB 3.33Å; V566-L569 PolarHBondContact O-N 2.79Å; V566-L569 VanDerWaalsContact O-N 3.11Å; D567-L569 VanDerWaalsContact C-N 3.29Å; L569-I571 VanDerWaalsContact C-N 3.3Å; L569-I571 HydrophobicContact CB-CD1 4.45Å; L569-I571 HydrophobicContact CB-CG1 3.94Å; L569-I571 HydrophobicContact CD1-CD1 4.46Å; L569-I571 HydrophobicContact CD1-CG1 4.49Å; L569-I571 PolarHBondContact O-N 3.38Å
570	D	75.7	Confident	84	Confident	156 Å²	156	67 Å²	67	83%	0.834	33%	0.334	S	S	*	.			trans	-78.6	81.9	163.7	-171.7	22.2	0	0	0	109.6	A568 P572	A568-D570 PolarHBondContact O-N 3.24Å; D570-P572 VanDerWaalsContact O-CD 3.26Å; D570-P572 WeakPolarHBondContact O-CD 3.49Å
571	I	75.4	Confident	84.2	Confident	13 Å²	13	66.7 Å²	66.7	7%	0.067	33%	0.332	C	S	.	.			trans	-73.6	113.8	176.5	-64.4	174.8	0	0	0	108.1	L569 N573 I576 T581 V584	L569-I571 VanDerWaalsContact C-N 3.3Å; L569-I571 HydrophobicContact CB-CD1 4.45Å; L569-I571 HydrophobicContact CB-CG1 3.94Å; L569-I571 HydrophobicContact CD1-CD1 4.46Å; L569-I571 HydrophobicContact CD1-CG1 4.49Å; L569-I571 PolarHBondContact O-N 3.38Å; I571-N573 PolarHBondContact O-N 2.58Å; I571-I576 HydrophobicContact CG2-CB 3.78Å; I571-I576 HydrophobicContact CG2-CD1 3.71Å; I571-I576 HydrophobicContact CG2-CG1 4.23Å; I571-I576 HydrophobicContact CG2-CG2 3.99Å; I571-T581 HydrophobicContact CB-CG2 4.38Å; I571-T581 HydrophobicContact CD1-CG2 3.99Å; I571-T581 HydrophobicContact CG2-CG2 4.24Å; I571-V584 HydrophobicContact CD1-CG1 4.27Å
572	P	76.6	Confident	84.3	Confident	50 Å²	50	65.5 Å²	65.5	33%	0.325	33%	0.329	S	S	.	.			trans	-69.1	104.2	-175.3	26.9	-32.9	0	0	0	110.1	M545 D570 R574 R575 I576	M545-P572 HydrophobicContact SD-CG 4.23Å; D570-P572 VanDerWaalsContact O-CD 3.26Å; D570-P572 WeakPolarHBondContact O-CD 3.49Å; P572-R574 PolarHBondContact O-N 2.86Å; P572-R575 HydrophobicContact CG-CB 4.48Å; P572-R575 PolarHBondContact O-N 2.66Å; P572-I576 PolarHBondContact O-N 3.38Å; P572-I576 VanDerWaalsContact O-N 3.16Å
573	N	72.3	Confident	84.5	Confident	121 Å²	121	65.5 Å²	65.5	65%	0.647	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15.6	178.8	-71.3	-35.2	0	0	0	114.3	I571	I571-N573 PolarHBondContact O-N 2.58Å
574	R	74.5	Confident	84.7	Confident	251 Å²	251	64.7 Å²	64.7	95%	0.947	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-26.3	174.6	-67.7	-173.2	-179.6	-177.2	0.7	113.5	P572	P572-R574 PolarHBondContact O-N 2.86Å
575	R	76.8	Confident	84.9	Confident	145 Å²	145	62.7 Å²	62.7	55%	0.547	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-37.9	179.6	-67.3	-156.3	-149.9	-106.5	6	113	P572	P572-R575 HydrophobicContact CG-CB 4.48Å; P572-R575 PolarHBondContact O-N 2.66Å
576	I	82.8	Confident	85.3	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	33%	0.334	C	S	.	.	S	Bend	trans	-108	116.7	-177.8	-63.4	178.3	0	0	0	107.9	L544 M545 I571 P572 A580 T581	L544-I576 HydrophobicContact CB-CD1 4.25Å; L544-I576 HydrophobicContact CB-CG1 3.84Å; L544-I576 HydrophobicContact CD1-CG1 4.05Å; L544-I576 HydrophobicContact CD1-CG2 4.18Å; M545-I576 HydrophobicContact CE-CD1 4.36Å; M545-I576 HydrophobicContact CG-CD1 3.57Å; M545-I576 HydrophobicContact CG-CG1 4.17Å; M545-I576 HydrophobicContact SD-CD1 3.72Å; I571-I576 HydrophobicContact CG2-CB 3.78Å; I571-I576 HydrophobicContact CG2-CD1 3.71Å; I571-I576 HydrophobicContact CG2-CG1 4.23Å; I571-I576 HydrophobicContact CG2-CG2 3.99Å; P572-I576 PolarHBondContact O-N 3.38Å; P572-I576 VanDerWaalsContact O-N 3.16Å; I576-A580 HydrophobicContact CG2-CB 3.48Å; I576-A580 VanDerWaalsContact CG2-CB 3.48Å; I576-T581 VanDerWaalsContact CG2-OG1 3.31Å; I576-T581 WeakPolarHBondContact CG2-OG1 3.39Å
577	G	87	Confident	85.8	Confident	21 Å²	21	66.7 Å²	66.7	22%	0.216	33%	0.333	C	S	.	.			trans	-63.2	156.1	177.3	0	0	0	0	0	112.4	E450 T579 A580 T581	E450-G577 VanDerWaalsContact OE1-CA 3.28Å; E450-G577 WeakPolarHBondContact OE1-CA 3.35Å; E450-G577 PolarHBondContact OE1-N 2.95Å; G577-T579 PolarHBondContact O-N 3.43Å; G577-T579 VanDerWaalsContact O-N 3.1Å; G577-A580 WeakPolarHBondContact O-CB 3.31Å; G577-A580 PolarHBondContact O-N 3.1Å; G577-T581 PolarHBondContact O-N 3.17Å; G577-T581 PolarHBondContact O-OG1 3.03Å
578	K	91.1	Very high	86.4	Confident	180 Å²	180	61.9 Å²	61.9	78%	0.783	31%	0.308	S	S	*	.	H	α-helix	trans	-55.1	-34.8	-176.6	-64.3	-176.6	-179.6	-179.4	0	113.3	S582	K578-S582 VanDerWaalsContact O-CB 3.32Å; K578-S582 WeakPolarHBondContact O-CB 3.37Å; K578-S582 PolarHBondContact O-N 3.04Å
579	T	92.9	Very high	87.1	Confident	52 Å²	52	61.6 Å²	61.6	32%	0.319	29%	0.292	S	S	.	.	H	α-helix	trans	-71.1	-39.3	177.3	47.4	0	0	0	0	111.9	G577 S582 L583 H609 R610	G577-T579 PolarHBondContact O-N 3.43Å; G577-T579 VanDerWaalsContact O-N 3.1Å; T579-S582 PolarHBondContact O-N 3.27Å; T579-L583 PolarHBondContact O-N 2.73Å; T579-H609 PolarHBondContact O-CE1 2.98Å; T579-H609 VanDerWaalsContact O-CE1 3.29Å; T579-R610 HydrophobicContact CG2-CB 4.01Å
580	A	92.8	Very high	87.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-46.4	173.6	0	0	0	0	0	111.2	L544 I576 G577 S582 L583 V584 W611	L544-A580 HydrophobicContact CD1-CB 3.93Å; I576-A580 HydrophobicContact CG2-CB 3.48Å; I576-A580 VanDerWaalsContact CG2-CB 3.48Å; G577-A580 WeakPolarHBondContact O-CB 3.31Å; G577-A580 PolarHBondContact O-N 3.1Å; A580-S582 VanDerWaalsContact C-N 3.31Å; A580-S582 PolarHBondContact O-N 2.7Å; A580-L583 WeakPolarHBondContact O-CB 3.48Å; A580-L583 PolarHBondContact O-N 2.99Å; A580-V584 WeakPolarHBondContact O-CG2 3.33Å; A580-V584 PolarHBondContact O-N 3.4Å; A580-W611 HydrophobicContact CB-CG 4.35Å
581	T	92.9	Very high	88.4	Confident	18 Å²	18	58.3 Å²	58.3	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-56.6	-45.4	174.4	-57.4	0	0	0	0	111.4	I571 I576 G577 L583 V584 K585	I571-T581 HydrophobicContact CB-CG2 4.38Å; I571-T581 HydrophobicContact CD1-CG2 3.99Å; I571-T581 HydrophobicContact CG2-CG2 4.24Å; I576-T581 VanDerWaalsContact CG2-OG1 3.31Å; I576-T581 WeakPolarHBondContact CG2-OG1 3.39Å; G577-T581 PolarHBondContact O-N 3.17Å; G577-T581 PolarHBondContact O-OG1 3.03Å; T581-L583 VanDerWaalsContact C-N 3.28Å; T581-L583 PolarHBondContact O-N 3.05Å; T581-V584 PolarHBondContact O-N 2.82Å; T581-K585 WeakPolarHBondContact O-CG 3.09Å; T581-K585 PolarHBondContact O-N 2.75Å
582	S	94	Very high	89.2	Confident	38 Å²	38	58.6 Å²	58.6	27%	0.266	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-36.2	175.9	176.8	0	0	0	0	112.4	K578 T579 A580 K586 H609	K578-S582 VanDerWaalsContact O-CB 3.32Å; K578-S582 WeakPolarHBondContact O-CB 3.37Å; K578-S582 PolarHBondContact O-N 3.04Å; T579-S582 PolarHBondContact O-N 3.27Å; A580-S582 VanDerWaalsContact C-N 3.31Å; A580-S582 PolarHBondContact O-N 2.7Å; S582-K586 VanDerWaalsContact O-CG 3.32Å; S582-K586 WeakPolarHBondContact O-CG 3.33Å; S582-K586 PolarHBondContact O-N 3.36Å; S582-H609 PolarHBondContact OG-NE2 2.91Å
583	L	95.6	Very high	89.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-49.7	177.6	178.7	54	0	0	0	110.6	I540 T579 A580 T581 K585 K586 L587 L596 L606 H609 W611 F612	I540-L583 HydrophobicContact CD1-CD2 3.73Å; I540-L583 HydrophobicContact CD1-CG 4.03Å; T579-L583 PolarHBondContact O-N 2.73Å; A580-L583 WeakPolarHBondContact O-CB 3.48Å; A580-L583 PolarHBondContact O-N 2.99Å; T581-L583 VanDerWaalsContact C-N 3.28Å; T581-L583 PolarHBondContact O-N 3.05Å; L583-K585 PolarHBondContact O-N 3.09Å; L583-K586 PolarHBondContact O-N 3.2Å; L583-K586 VanDerWaalsContact O-N 3.13Å; L583-L587 HydrophobicContact CD1-CD1 3.81Å; L583-L587 HydrophobicContact CD1-CG 4.05Å; L583-L587 HydrophobicContact CG-CD1 3.8Å; L583-L587 HydrophobicContact CG-CG 4.46Å; L583-L587 WeakPolarHBondContact O-CG 3.47Å; L583-L587 PolarHBondContact O-N 3.18Å; L583-L596 HydrophobicContact CD1-CD2 3.63Å; L583-L606 HydrophobicContact CD1-CD1 3.62Å; L583-H609 HydrophobicContact CD1-CB 4.24Å; L583-H609 PolarHBondContact N-CE1 2.81Å; L583-W611 HydrophobicContact CB-CB 4.36Å; L583-W611 HydrophobicContact CD2-CB 4.05Å; L583-W611 HydrophobicContact CD2-CD2 3.93Å; L583-W611 HydrophobicContact CD2-CE3 3.37Å; L583-W611 HydrophobicContact CD2-CG 4.24Å; L583-W611 HydrophobicContact CD2-CZ3 4.09Å; L583-F612 HydrophobicContact CD2-CE2 3.99Å
584	V	95	Very high	90.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-48.9	179.2	171.2	0	0	0	0	111	I540 V566 I571 A580 T581 K586 L587 C588	I540-V584 HydrophobicContact CB-CG2 4.09Å; I540-V584 HydrophobicContact CG2-CG2 3.78Å; V566-V584 HydrophobicContact CG2-CG1 4.25Å; I571-V584 HydrophobicContact CD1-CG1 4.27Å; A580-V584 WeakPolarHBondContact O-CG2 3.33Å; A580-V584 PolarHBondContact O-N 3.4Å; T581-V584 PolarHBondContact O-N 2.82Å; V584-K586 PolarHBondContact O-N 3.31Å; V584-L587 PolarHBondContact O-N 2.82Å; V584-L587 VanDerWaalsContact O-N 3.12Å; V584-C588 WeakPolarHBondContact O-CB 3.26Å; V584-C588 PolarHBondContact O-N 3Å
585	K	94.2	Very high	91.8	Very high	70 Å²	70	39.9 Å²	39.9	30%	0.304	19%	0.193	S	C	.	.	H	α-helix	trans	-58.9	-34.9	178.1	-74.8	-167	169	-139.2	0	113.4	V566 D567 T581 L583	V566-K585 HydrophobicContact CG1-CB 4.5Å; V566-K585 HydrophobicContact CG1-CG 4.35Å; V566-K585 HydrophobicContact CG2-CG 4.23Å; D567-K585 IonicContact OD1-NZ 3Å; D567-K585 PolarHBondContact OD1-NZ 3.14Å; T581-K585 WeakPolarHBondContact O-CG 3.09Å; T581-K585 PolarHBondContact O-N 2.75Å; L583-K585 PolarHBondContact O-N 3.09Å
586	K	95	Very high	92.7	Very high	88 Å²	88	33.4 Å²	33.4	38%	0.383	17%	0.169	S	C	.	.	H	α-helix	trans	-78	-28.6	177.4	-73	-177.9	173.6	-172.3	0	113.4	S582 L583 V584 R595 L596	S582-K586 VanDerWaalsContact O-CG 3.32Å; S582-K586 WeakPolarHBondContact O-CG 3.33Å; S582-K586 PolarHBondContact O-N 3.36Å; L583-K586 PolarHBondContact O-N 3.2Å; L583-K586 VanDerWaalsContact O-N 3.13Å; V584-K586 PolarHBondContact O-N 3.31Å; K586-R595 CarbonylContact O-C 3.35Å; K586-R595 WeakPolarHBondContact O-CA 3.33Å; K586-L596 HydrophobicContact CB-CB 4.01Å; K586-L596 HydrophobicContact CB-CD2 4.44Å; K586-L596 PolarHBondContact O-N 3.46Å
587	L	96.9	Very high	93.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-78.4	-37	175.2	-76.4	169.7	0	0	0	111.9	F533 L536 I540 L583 V584 R589 R595 L596 L606	F533-L587 HydrophobicContact CB-CD2 3.98Å; F533-L587 HydrophobicContact CD1-CD2 4.36Å; L536-L587 HydrophobicContact CB-CD1 4.46Å; L536-L587 HydrophobicContact CD2-CD1 4.2Å; L536-L587 HydrophobicContact CD2-CD2 4.26Å; L536-L587 HydrophobicContact CG-CD1 4.2Å; I540-L587 HydrophobicContact CD1-CD1 3.54Å; L583-L587 HydrophobicContact CD1-CD1 3.81Å; L583-L587 HydrophobicContact CD1-CG 4.05Å; L583-L587 HydrophobicContact CG-CD1 3.8Å; L583-L587 HydrophobicContact CG-CG 4.46Å; L583-L587 WeakPolarHBondContact O-CG 3.47Å; L583-L587 PolarHBondContact O-N 3.18Å; V584-L587 PolarHBondContact O-N 2.82Å; V584-L587 VanDerWaalsContact O-N 3.12Å; L587-R589 PolarHBondContact O-N 3.44Å; L587-R595 VanDerWaalsContact O-CD 3.31Å; L587-R595 WeakPolarHBondContact O-CD 3.43Å; L587-R595 VanDerWaalsContact O-CG 3.28Å; L587-R595 WeakPolarHBondContact O-CG 3.41Å; L587-L596 HydrophobicContact CD2-CB 4.34Å; L587-L596 WeakPolarHBondContact CD2-O 3.31Å; L587-L606 HydrophobicContact CD1-CD1 4.42Å; L587-L606 HydrophobicContact CD2-CD1 3.95Å; L587-L606 HydrophobicContact CG-CD1 4.46Å
588	C	96.3	Very high	93.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	16%	0.163	C	C	.	.	S	Bend	trans	-98.2	40.5	-179	-59.7	0	0	0	0	112.4	W534 V566 V584	W534-C588 HydrophobicContact CD2-CB 4.37Å; W534-C588 HydrophobicContact CE3-CB 3.87Å; W534-C588 HydrophobicContact CH2-CB 4.26Å; W534-C588 HydrophobicContact CZ3-CB 3.82Å; W534-C588 WeakPolarHBondContact CZ3-O 3.18Å; V566-C588 HydrophobicContact CB-CB 3.86Å; V566-C588 WeakPolarHBondContact CB-O 3.33Å; V566-C588 HydrophobicContact CG1-CB 4.4Å; V566-C588 VanDerWaalsContact CG1-O 3.24Å; V566-C588 WeakPolarHBondContact CG1-O 3.36Å; V566-C588 HydrophobicContact CG2-CB 3.76Å; V584-C588 WeakPolarHBondContact O-CB 3.26Å; V584-C588 PolarHBondContact O-N 3Å
589	R	94.3	Very high	92.8	Very high	61 Å²	61	25.9 Å²	25.9	23%	0.23	13%	0.133	C	C	.	.			trans	-67.7	140.2	166.2	-71.5	-64.6	-157.8	-178.8	11.8	109.3	E304 L587 E594 R595	E304-R589 VanDerWaalsContact CD-NH2 3.33Å; E304-R589 IonicContact OE1-CZ 3.75Å; E304-R589 IonicContact OE1-NE 3.7Å; E304-R589 IonicContact OE1-NH2 3.64Å; E304-R589 PolarHBondContact OE1-NH2 3.11Å; E304-R589 IonicContact OE2-CZ 3.58Å; E304-R589 IonicContact OE2-NH2 2.71Å; E304-R589 PolarHBondContact OE2-NH2 3.08Å; L587-R589 PolarHBondContact O-N 3.44Å; R589-E594 HydrophobicContact CB-CB 4.02Å; R589-E594 HydrophobicContact CG-CB 4.09Å; R589-R595 HydrophobicContact CB-CG 4.02Å; R589-R595 PolarHBondContact O-NE 2.94Å; R589-R595 PolarHBondContact O-NH2 3.46Å
590	D	90.8	Very high	92.2	Very high	83 Å²	83	27 Å²	27	44%	0.444	14%	0.143	S	C	.	.	S	Bend	trans	-64.7	-47.2	-179.7	-65.7	-28.7	0	0	0	110.6	G565 P592 R595	G565-D590 WeakPolarHBondContact CA-OD1 3.38Å; D590-P592 WeakPolarHBondContact O-CD 3.5Å; D590-R595 PolarHBondContact O-NH2 2.77Å
591	N	89.6	Confident	91.6	Very high	31 Å²	31	28.2 Å²	28.2	17%	0.166	16%	0.156	C	C	.	.	S	Bend	trans	-67.8	117.9	169.5	-178.6	-4.6	0	0	0	110.2	S221 A593 E594	S221-N591 PolarHBondContact OG-ND2 2.67Å; N591-A593 VanDerWaalsContact C-N 3.28Å; N591-A593 PolarHBondContact O-N 2.85Å; N591-A593 PolarHBondContact OD1-N 3.25Å; N591-A593 VanDerWaalsContact OD1-N 3.11Å; N591-E594 HydrophobicContact CB-CB 4.33Å; N591-E594 HydrophobicContact CB-CG 4.11Å; N591-E594 WeakPolarHBondContact CB-OE1 3.37Å; N591-E594 PolarHBondContact ND2-OE1 3.06Å; N591-E594 PolarHBondContact O-N 2.87Å
592	P	92.6	Very high	91.4	Very high	20 Å²	20	28.1 Å²	28.1	13%	0.13	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-61.5	-32.5	-177.5	-20.2	31.3	0	0	0	114.4	E520 S530 D590 E594 R595 C598	E520-P592 HydrophobicContact CB-CG 4.28Å; E520-P592 HydrophobicContact CG-CG 4.1Å; S530-P592 VanDerWaalsContact OG-CB 3.26Å; S530-P592 WeakPolarHBondContact OG-CB 3.36Å; D590-P592 WeakPolarHBondContact O-CD 3.5Å; P592-E594 VanDerWaalsContact C-N 3.29Å; P592-E594 PolarHBondContact O-N 3.26Å; P592-R595 WeakPolarHBondContact O-CB 3.49Å; P592-R595 WeakPolarHBondContact O-CG 3.47Å; P592-R595 PolarHBondContact O-N 3.29Å; P592-C598 PolarHBondContact O-SG 3.35Å; P592-C598 VanDerWaalsContact O-SG 3.42Å
593	A	89.8	Confident	91.4	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.017	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-71.3	-24.9	-178.5	0	0	0	0	0	113.2	K217 S221 L309 N591 R595	K217-A593 HydrophobicContact CB-CB 3.92Å; K217-A593 HydrophobicContact CG-CB 4.23Å; S221-A593 WeakPolarHBondContact OG-CB 3.44Å; L309-A593 HydrophobicContact CD1-CB 3.95Å; L309-A593 HydrophobicContact CD2-CB 4.28Å; N591-A593 VanDerWaalsContact C-N 3.28Å; N591-A593 PolarHBondContact O-N 2.85Å; N591-A593 PolarHBondContact OD1-N 3.25Å; N591-A593 VanDerWaalsContact OD1-N 3.11Å; A593-R595 VanDerWaalsContact C-N 3.32Å
594	E	92.2	Very high	91.2	Very high	27 Å²	27	31 Å²	31	13%	0.126	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-79.8	-15.7	178	-74.6	172.4	-137.9	0	0	113.4	S305 K308 R589 N591 P592 Q599	S305-E594 WeakPolarHBondContact OG-CG 3.48Å; S305-E594 PolarHBondContact OG-OE1 3.4Å; K308-E594 PolarHBondContact NZ-O 2.8Å; R589-E594 HydrophobicContact CB-CB 4.02Å; R589-E594 HydrophobicContact CG-CB 4.09Å; N591-E594 HydrophobicContact CB-CB 4.33Å; N591-E594 HydrophobicContact CB-CG 4.11Å; N591-E594 WeakPolarHBondContact CB-OE1 3.37Å; N591-E594 PolarHBondContact ND2-OE1 3.06Å; N591-E594 PolarHBondContact O-N 2.87Å; P592-E594 VanDerWaalsContact C-N 3.29Å; P592-E594 PolarHBondContact O-N 3.26Å; E594-Q599 PolarHBondContact O-NE2 3.25Å
595	R	96.1	Very high	91	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-59.5	137.5	-177.7	-63.9	180	-174.7	150.9	9.3	110.8	E520 S530 F533 K586 L587 R589 D590 P592 A593 G597 C598	E520-R595 IonicContact OE1-CZ 3.02Å; E520-R595 IonicContact OE1-NH1 2.96Å; E520-R595 PolarHBondContact OE1-NH1 2.85Å; E520-R595 IonicContact OE1-NH2 3.67Å; E520-R595 PolarHBondContact OE1-NH2 2.86Å; E520-R595 IonicContact OE2-CZ 2.79Å; E520-R595 IonicContact OE2-NH1 2.85Å; E520-R595 IonicContact OE2-NH2 3.77Å; E520-R595 PolarHBondContact OE2-NH2 3.42Å; S530-R595 PolarHBondContact O-NH1 2.76Å; F533-R595 HydrophobicContact CB-CB 4.5Å; K586-R595 CarbonylContact O-C 3.35Å; K586-R595 WeakPolarHBondContact O-CA 3.33Å; L587-R595 VanDerWaalsContact O-CD 3.31Å; L587-R595 WeakPolarHBondContact O-CD 3.43Å; L587-R595 VanDerWaalsContact O-CG 3.28Å; L587-R595 WeakPolarHBondContact O-CG 3.41Å; R589-R595 HydrophobicContact CB-CG 4.02Å; R589-R595 PolarHBondContact O-NE 2.94Å; R589-R595 PolarHBondContact O-NH2 3.46Å; D590-R595 PolarHBondContact O-NH2 2.77Å; P592-R595 WeakPolarHBondContact O-CB 3.49Å; P592-R595 WeakPolarHBondContact O-CG 3.47Å; P592-R595 PolarHBondContact O-N 3.29Å; A593-R595 VanDerWaalsContact C-N 3.32Å; R595-G597 PolarHBondContact O-N 2.9Å; R595-C598 WeakPolarHBondContact O-CB 3.26Å; R595-C598 PolarHBondContact O-N 3.41Å
596	L	94.2	Very high	91	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.042	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	126.1	173.5	-168.1	68.9	0	0	0	109.3	L583 K586 L587 D605 L606 H609	L583-L596 HydrophobicContact CD1-CD2 3.63Å; K586-L596 HydrophobicContact CB-CB 4.01Å; K586-L596 HydrophobicContact CB-CD2 4.44Å; K586-L596 PolarHBondContact O-N 3.46Å; L587-L596 HydrophobicContact CD2-CB 4.34Å; L587-L596 WeakPolarHBondContact CD2-O 3.31Å; L596-D605 HydrophobicContact CD1-CB 3.79Å; L596-L606 HydrophobicContact CD2-CD1 3.79Å; L596-L606 HydrophobicContact CG-CB 4.46Å; L596-L606 HydrophobicContact CG-CD1 4.27Å; L596-H609 HydrophobicContact CD2-CB 4.2Å
597	G	91.4	Very high	91	Very high	7 Å²	7	26.5 Å²	26.5	7%	0.072	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.6	-24.8	-169	0	0	0	0	0	114.1	F533 R595 G602	F533-G597 VanDerWaalsContact CE2-C 3.49Å; R595-G597 PolarHBondContact O-N 2.9Å; G597-G602 WeakPolarHBondContact CA-O 3.45Å; G597-G602 WeakPolarHBondContact O-CA 3.44Å
598	C	90.3	Very high	90.8	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.034	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-15.5	176.5	-68	0	0	0	0	113.9	K217 S530 F533 P592 R595	K217-C598 WeakPolarHBondContact CD-O 3.46Å; K217-C598 WeakPolarHBondContact CE-O 3.47Å; K217-C598 PolarHBondContact NZ-O 2.91Å; S530-C598 WeakPolarHBondContact CB-SG 3.15Å; F533-C598 WeakPolarHBondContact CD2-SG 3.43Å; P592-C598 PolarHBondContact O-SG 3.35Å; P592-C598 VanDerWaalsContact O-SG 3.42Å; R595-C598 WeakPolarHBondContact O-CB 3.26Å; R595-C598 PolarHBondContact O-N 3.41Å
599	Q	82.7	Confident	90.7	Very high	33 Å²	33	34.7 Å²	34.7	15%	0.154	19%	0.188	C	C	.	.	S	Bend	trans	-73.4	174.4	-176.8	-54.2	173	10.4	0	0	111.4	K308 E594 G601 G602	K308-Q599 HydrophobicContact CB-CB 4.27Å; K308-Q599 HydrophobicContact CB-CG 3.95Å; K308-Q599 VanDerWaalsContact CD-CD 3.44Å; K308-Q599 HydrophobicContact CD-CG 3.76Å; K308-Q599 HydrophobicContact CG-CB 4.44Å; K308-Q599 HydrophobicContact CG-CG 3.83Å; E594-Q599 PolarHBondContact O-NE2 3.25Å; Q599-G601 PolarHBondContact O-N 3.07Å; Q599-G601 VanDerWaalsContact O-N 3.15Å; Q599-G602 WeakPolarHBondContact O-CA 3.21Å; Q599-G602 PolarHBondContact O-N 2.93Å
600	S	78.9	Confident	90.7	Very high	75 Å²	75	41 Å²	41	52%	0.524	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.7	-176.9	58.4	0	0	0	0	114.6	K308	K308-S600 PolarHBondContact O-N 3.32Å
601	G	80.6	Confident	90.9	Very high	25 Å²	25	37.2 Å²	37.2	26%	0.258	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.2	175	0	0	0	0	0	114.8	Q599 F603 D604 D605	Q599-G601 PolarHBondContact O-N 3.07Å; Q599-G601 VanDerWaalsContact O-N 3.15Å; G601-F603 PolarHBondContact O-N 3.28Å; G601-D604 WeakPolarHBondContact O-CB 3.49Å; G601-D604 PolarHBondContact O-N 3.01Å; G601-D605 WeakPolarHBondContact CA-OD2 3.34Å; G601-D605 PolarHBondContact N-OD2 3.04Å
602	G	88.9	Confident	91.1	Very high	17 Å²	17	36 Å²	36	18%	0.175	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-131.5	175.3	0	0	0	0	0	113.4	G597 Q599 D604 D605	G597-G602 WeakPolarHBondContact CA-O 3.45Å; G597-G602 WeakPolarHBondContact O-CA 3.44Å; Q599-G602 WeakPolarHBondContact O-CA 3.21Å; Q599-G602 PolarHBondContact O-N 2.93Å; G602-D604 PolarHBondContact O-N 3.06Å; G602-D605 PolarHBondContact O-N 3.44Å
603	F	94	Very high	90.9	Very high	19 Å²	19	40 Å²	40	8%	0.083	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-21.8	176.5	-78	-92	0	0	0	113.9	V461 L464 E465 H468 F533 G601 L606 R607	V461-F603 HydrophobicContact CG1-CD1 3.94Å; V461-F603 HydrophobicContact CG1-CE1 4.42Å; V461-F603 WeakPolarHBondContact O-CE1 3.42Å; L464-F603 HydrophobicContact CB-CE1 3.92Å; L464-F603 HydrophobicContact CB-CZ 3.95Å; E465-F603 HydrophobicContact CB-CB 4.48Å; E465-F603 HydrophobicContact CB-CD1 3.63Å; E465-F603 HydrophobicContact CB-CD2 3.88Å; E465-F603 HydrophobicContact CB-CE1 3.68Å; E465-F603 HydrophobicContact CB-CE2 3.94Å; E465-F603 HydrophobicContact CB-CG 3.72Å; E465-F603 HydrophobicContact CB-CZ 3.85Å; E465-F603 HydrophobicContact CG-CB 4.12Å; E465-F603 HydrophobicContact CG-CD1 4.14Å; E465-F603 HydrophobicContact CG-CD2 3.63Å; E465-F603 HydrophobicContact CG-CE1 4.5Å; E465-F603 HydrophobicContact CG-CE2 4.04Å; E465-F603 HydrophobicContact CG-CG 3.68Å; E465-F603 HydrophobicContact CG-CZ 4.46Å; E465-F603 VanDerWaalsContact N-CE1 3.35Å; E465-F603 VanDerWaalsContact N-CZ 3.26Å; H468-F603 HydrophobicContact CB-CE2 4.04Å; H468-F603 HydrophobicContact CB-CZ 4.38Å; H468-F603 AromaticContact ND1-CE2 3.52Å; H468-F603 AromaticContact ND1-CZ 3.42Å; H468-F603 WeakPolarHBondContact ND1-CZ 3.37Å; F533-F603 HydrophobicContact CE1-CD1 4.26Å; F533-F603 AromaticContact CE1-CE1 3.69Å; F533-F603 HydrophobicContact CE1-CE1 3.69Å; F533-F603 HydrophobicContact CE1-CE2 4.1Å; F533-F603 AromaticContact CE1-CZ 3.58Å; F533-F603 HydrophobicContact CE1-CZ 3.58Å; F533-F603 HydrophobicContact CZ-CD2 4.29Å; F533-F603 HydrophobicContact CZ-CE1 4.13Å; F533-F603 AromaticContact CZ-CE2 3.67Å; F533-F603 HydrophobicContact CZ-CE2 3.67Å; F533-F603 AromaticContact CZ-CZ 3.57Å; F533-F603 HydrophobicContact CZ-CZ 3.57Å; G601-F603 PolarHBondContact O-N 3.28Å; F603-L606 HydrophobicContact CD1-CD2 4.4Å; F603-L606 WeakPolarHBondContact O-CB 3.17Å; F603-L606 PolarHBondContact O-N 2.83Å; F603-R607 WeakPolarHBondContact O-CG 3.37Å; F603-R607 PolarHBondContact O-N 3.47Å
604	D	92.3	Very high	90.8	Very high	80 Å²	80	44 Å²	44	43%	0.428	25%	0.254	S	S	.	.	H	α-helix	trans	-72.2	-33.2	179.6	-66.9	-23.3	0	0	0	111.9	G601 G602 L606 R607 K608	G601-D604 WeakPolarHBondContact O-CB 3.49Å; G601-D604 PolarHBondContact O-N 3.01Å; G602-D604 PolarHBondContact O-N 3.06Å; D604-L606 VanDerWaalsContact C-N 3.28Å; D604-L606 PolarHBondContact O-N 2.64Å; D604-R607 PolarHBondContact O-N 2.78Å; D604-R607 IonicContact OD1-NH1 3.67Å; D604-R607 PolarHBondContact OD1-NH1 3.44Å; D604-R607 VanDerWaalsContact OD1-NH1 3.17Å; D604-K608 WeakPolarHBondContact O-CB 3.15Å; D604-K608 WeakPolarHBondContact O-CD 3.33Å; D604-K608 WeakPolarHBondContact O-CG 3.39Å; D604-K608 PolarHBondContact O-N 2.8Å
605	D	90.8	Very high	90.7	Very high	42 Å²	42	44.1 Å²	44.1	23%	0.225	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-35.2	173.5	-68.3	-21.3	0	0	0	111.4	L596 G601 G602 H609	L596-D605 HydrophobicContact CD1-CB 3.79Å; G601-D605 WeakPolarHBondContact CA-OD2 3.34Å; G601-D605 PolarHBondContact N-OD2 3.04Å; G602-D605 PolarHBondContact O-N 3.44Å; D605-H609 PolarHBondContact O-N 2.92Å
606	L	93.7	Very high	90.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-46.2	173.3	-175.5	60.2	0	0	0	111.3	V461 F533 L536 L583 L587 L596 F603 D604 K608 H609 F612	V461-L606 HydrophobicContact CB-CD2 4.5Å; V461-L606 HydrophobicContact CG1-CD2 4Å; V461-L606 HydrophobicContact CG2-CD2 3.66Å; V461-L606 HydrophobicContact CG2-CG 4.39Å; F533-L606 HydrophobicContact CE1-CD2 4.42Å; L536-L606 HydrophobicContact CD2-CD2 3.82Å; L583-L606 HydrophobicContact CD1-CD1 3.62Å; L587-L606 HydrophobicContact CD1-CD1 4.42Å; L587-L606 HydrophobicContact CD2-CD1 3.95Å; L587-L606 HydrophobicContact CG-CD1 4.46Å; L596-L606 HydrophobicContact CD2-CD1 3.79Å; L596-L606 HydrophobicContact CG-CB 4.46Å; L596-L606 HydrophobicContact CG-CD1 4.27Å; F603-L606 HydrophobicContact CD1-CD2 4.4Å; F603-L606 WeakPolarHBondContact O-CB 3.17Å; F603-L606 PolarHBondContact O-N 2.83Å; D604-L606 VanDerWaalsContact C-N 3.28Å; D604-L606 PolarHBondContact O-N 2.64Å; L606-K608 PolarHBondContact O-N 2.86Å; L606-H609 VanDerWaalsContact O-CB 3.26Å; L606-H609 WeakPolarHBondContact O-CB 3.37Å; L606-H609 PolarHBondContact O-N 3.45Å; L606-F612 WeakPolarHBondContact O-CD2 3.13Å
607	R	94.1	Very high	90.5	Very high	20 Å²	20	48.8 Å²	48.8	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-33.1	178.3	-68	175.5	179.8	118.8	-0.9	113.7	E462 E465 F603 D604 H609 F612 W617 R621	E462-R607 IonicContact OE1-CZ 3.93Å; E462-R607 IonicContact OE1-NE 2.83Å; E462-R607 PolarHBondContact OE1-NE 3.33Å; E462-R607 IonicContact OE1-NH2 3.71Å; E462-R607 PolarHBondContact OE1-NH2 3.23Å; E462-R607 IonicContact OE2-NH2 3.71Å; E465-R607 IonicContact OE1-CZ 2.72Å; E465-R607 IonicContact OE1-NH1 3.83Å; E465-R607 PolarHBondContact OE1-NH1 2.74Å; E465-R607 IonicContact OE1-NH2 2.81Å; E465-R607 IonicContact OE2-CZ 2.63Å; E465-R607 IonicContact OE2-NH1 3.82Å; E465-R607 IonicContact OE2-NH2 3.96Å; E465-R607 PolarHBondContact OE2-NH2 2.77Å; F603-R607 WeakPolarHBondContact O-CG 3.37Å; F603-R607 PolarHBondContact O-N 3.47Å; D604-R607 PolarHBondContact O-N 2.78Å; D604-R607 IonicContact OD1-NH1 3.67Å; D604-R607 PolarHBondContact OD1-NH1 3.44Å; D604-R607 VanDerWaalsContact OD1-NH1 3.17Å; R607-H609 VanDerWaalsContact C-N 3.28Å; R607-F612 WeakPolarHBondContact O-CB 3.47Å; R607-W617 HydrophobicContact CB-CD2 4.33Å; R607-W617 HydrophobicContact CB-CZ2 3.97Å; R607-W617 HydrophobicContact CG-CD2 3.85Å; R607-W617 HydrophobicContact CG-CE3 4.07Å; R607-W617 HydrophobicContact CG-CH2 3.88Å; R607-W617 HydrophobicContact CG-CZ2 3.62Å; R607-W617 HydrophobicContact CG-CZ3 4.08Å; R607-W617 PolarHBondContact O-NE1 3.18Å; R607-R621 VanDerWaalsContact CZ-NH2 3.27Å
608	K	93	Very high	90.4	Very high	159 Å²	159	54.8 Å²	54.8	69%	0.691	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.8	177.4	-70.5	168	-170.7	166.9	0	113.2	D604 L606 R610	D604-K608 WeakPolarHBondContact O-CB 3.15Å; D604-K608 WeakPolarHBondContact O-CD 3.33Å; D604-K608 WeakPolarHBondContact O-CG 3.39Å; D604-K608 PolarHBondContact O-N 2.8Å; L606-K608 PolarHBondContact O-N 2.86Å; K608-R610 PolarHBondContact O-N 2.71Å
609	H	95.5	Very high	90.3	Very high	13 Å²	13	54.6 Å²	54.6	6%	0.06	30%	0.302	C	S	.	.	S	Bend	trans	-58.5	141	179.6	-168.5	-93.8	0	0	0	111.2	T579 S582 L583 L596 D605 L606 R607 W611 F612	T579-H609 PolarHBondContact O-CE1 2.98Å; T579-H609 VanDerWaalsContact O-CE1 3.29Å; S582-H609 PolarHBondContact OG-NE2 2.91Å; L583-H609 HydrophobicContact CD1-CB 4.24Å; L583-H609 PolarHBondContact N-CE1 2.81Å; L596-H609 HydrophobicContact CD2-CB 4.2Å; D605-H609 PolarHBondContact O-N 2.92Å; L606-H609 VanDerWaalsContact O-CB 3.26Å; L606-H609 WeakPolarHBondContact O-CB 3.37Å; L606-H609 PolarHBondContact O-N 3.45Å; R607-H609 VanDerWaalsContact C-N 3.28Å; H609-W611 PolarHBondContact ND1-N 2.99Å; H609-W611 PolarHBondContact O-N 2.91Å; H609-F612 PolarHBondContact O-N 3.26Å
610	R	94.2	Very high	90.9	Very high	195 Å²	195	53 Å²	53	74%	0.736	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-55.4	-24.3	-175.3	-74.1	-164.8	-78.7	-133.6	-0.1	114.7	T579 K608 F612 S613	T579-R610 HydrophobicContact CG2-CB 4.01Å; K608-R610 PolarHBondContact O-N 2.71Å; R610-F612 PolarHBondContact O-N 2.57Å; R610-S613 WeakPolarHBondContact O-CB 3.37Å; R610-S613 PolarHBondContact O-N 3.03Å; R610-S613 VanDerWaalsContact O-N 3.15Å
611	W	94.9	Very high	91.5	Very high	3 Å²	3	54.3 Å²	54.3	1%	0.011	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-66	-25.4	175.4	-168.3	63.2	0	0	0	113.6	E450 A453 R454 V457 I540 A580 L583 H609	E450-W611 PolarHBondContact OE2-NE1 3.11Å; A453-W611 HydrophobicContact CB-CH2 4.44Å; A453-W611 HydrophobicContact CB-CZ2 4.44Å; R454-W611 HydrophobicContact CB-CH2 3.82Å; R454-W611 HydrophobicContact CB-CZ2 4.04Å; R454-W611 HydrophobicContact CB-CZ3 4.13Å; R454-W611 HydrophobicContact CG-CE3 4.28Å; R454-W611 HydrophobicContact CG-CH2 4.27Å; R454-W611 HydrophobicContact CG-CZ3 4.07Å; R454-W611 PolarHBondContact NE-O 3.1Å; V457-W611 HydrophobicContact CB-CH2 4.22Å; V457-W611 HydrophobicContact CB-CZ3 4.02Å; V457-W611 HydrophobicContact CG1-CZ3 3.96Å; V457-W611 HydrophobicContact CG2-CH2 4.05Å; V457-W611 HydrophobicContact CG2-CZ3 4.27Å; I540-W611 HydrophobicContact CG2-CH2 4.44Å; A580-W611 HydrophobicContact CB-CG 4.35Å; L583-W611 HydrophobicContact CB-CB 4.36Å; L583-W611 HydrophobicContact CD2-CB 4.05Å; L583-W611 HydrophobicContact CD2-CD2 3.93Å; L583-W611 HydrophobicContact CD2-CE3 3.37Å; L583-W611 HydrophobicContact CD2-CG 4.24Å; L583-W611 HydrophobicContact CD2-CZ3 4.09Å; H609-W611 PolarHBondContact ND1-N 2.99Å; H609-W611 PolarHBondContact O-N 2.91Å
612	F	93.8	Very high	91.9	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.026	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-98.2	12.8	173.1	-69	-72.4	0	0	0	113.1	R454 V457 A458 L583 L606 R607 H609 R610 G614 F615 W617	R454-F612 HydrophobicContact CG-CD1 3.54Å; R454-F612 HydrophobicContact CG-CE1 3.61Å; V457-F612 HydrophobicContact CG1-CZ 3.88Å; A458-F612 HydrophobicContact CB-CE1 4.08Å; L583-F612 HydrophobicContact CD2-CE2 3.99Å; L606-F612 WeakPolarHBondContact O-CD2 3.13Å; R607-F612 WeakPolarHBondContact O-CB 3.47Å; H609-F612 PolarHBondContact O-N 3.26Å; R610-F612 PolarHBondContact O-N 2.57Å; F612-G614 PolarHBondContact O-N 3.39Å; F612-F615 HydrophobicContact CB-CB 4.22Å; F612-F615 HydrophobicContact CD1-CB 4.24Å; F612-F615 HydrophobicContact CD1-CD1 4.37Å; F612-F615 HydrophobicContact CD1-CG 4.16Å; F612-F615 VanDerWaalsContact O-CB 3.24Å; F612-F615 WeakPolarHBondContact O-CB 3.39Å; F612-F615 PolarHBondContact O-N 2.82Å; F612-W617 HydrophobicContact CB-CZ2 4.11Å; F612-W617 HydrophobicContact CD1-CH2 4.13Å; F612-W617 AromaticContact CD1-CZ2 3.45Å; F612-W617 HydrophobicContact CD1-CZ2 3.45Å; F612-W617 VanDerWaalsContact CD1-CZ2 3.45Å; F612-W617 AromaticContact CD2-CZ2 3.86Å; F612-W617 HydrophobicContact CD2-CZ2 3.86Å; F612-W617 AromaticContact CE1-CH2 3.87Å; F612-W617 HydrophobicContact CE1-CH2 3.87Å; F612-W617 AromaticContact CE1-CZ2 3.68Å; F612-W617 HydrophobicContact CE1-CZ2 3.68Å; F612-W617 HydrophobicContact CE2-CH2 4.34Å; F612-W617 HydrophobicContact CE2-CZ2 4.05Å; F612-W617 HydrophobicContact CG-CH2 4.48Å; F612-W617 AromaticContact CG-CZ2 3.55Å; F612-W617 HydrophobicContact CG-CZ2 3.55Å; F612-W617 AromaticContact CZ-CH2 3.97Å; F612-W617 HydrophobicContact CZ-CH2 3.97Å; F612-W617 AromaticContact CZ-CZ2 3.96Å; F612-W617 HydrophobicContact CZ-CZ2 3.96Å
613	S	88.6	Confident	92	Very high	103 Å²	103	61 Å²	61	72%	0.72	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	124.6	177.2	-172.1	0	0	0	0	110.4	R610 F615	R610-S613 WeakPolarHBondContact O-CB 3.37Å; R610-S613 PolarHBondContact O-N 3.03Å; R610-S613 VanDerWaalsContact O-N 3.15Å; S613-F615 VanDerWaalsContact C-N 3.29Å; S613-F615 PolarHBondContact O-N 3.27Å
614	G	85.7	Confident	91.8	Very high	85 Å²	85	66.3 Å²	66.3	88%	0.876	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	2.2	-176.6	0	0	0	0	0	115.5	F612	F612-G614 PolarHBondContact O-N 3.39Å
615	F	90.8	Very high	91.7	Very high	31 Å²	31	64.3 Å²	64.3	14%	0.136	32%	0.323	C	S	.	.			trans	-75.9	128.4	176.6	-171.5	-92.6	0	0	0	111.4	R454 A458 F612 S613 W617 L620 L625	R454-F615 HydrophobicContact CG-CD2 3.81Å; R454-F615 HydrophobicContact CG-CE2 4.2Å; R454-F615 HydrophobicContact CG-CG 4.45Å; A458-F615 HydrophobicContact CB-CD1 4.28Å; A458-F615 HydrophobicContact CB-CE1 3.38Å; A458-F615 HydrophobicContact CB-CE2 4.23Å; A458-F615 HydrophobicContact CB-CZ 3.34Å; F612-F615 HydrophobicContact CB-CB 4.22Å; F612-F615 HydrophobicContact CD1-CB 4.24Å; F612-F615 HydrophobicContact CD1-CD1 4.37Å; F612-F615 HydrophobicContact CD1-CG 4.16Å; F612-F615 VanDerWaalsContact O-CB 3.24Å; F612-F615 WeakPolarHBondContact O-CB 3.39Å; F612-F615 PolarHBondContact O-N 2.82Å; S613-F615 VanDerWaalsContact C-N 3.29Å; S613-F615 PolarHBondContact O-N 3.27Å; F615-W617 AromaticContact CD1-CD2 3.87Å; F615-W617 HydrophobicContact CD1-CD2 3.87Å; F615-W617 AromaticContact CD1-CE2 3.79Å; F615-W617 HydrophobicContact CD1-CE3 4.44Å; F615-W617 HydrophobicContact CD1-CG 4.02Å; F615-W617 HydrophobicContact CD1-CZ2 4.3Å; F615-W617 AromaticContact CD1-NE1 3.9Å; F615-W617 HydrophobicContact CE1-CD2 4.16Å; F615-W617 HydrophobicContact CE1-CE3 4.29Å; F615-W617 PolarHBondContact O-N 3.16Å; F615-W617 VanDerWaalsContact O-N 3.1Å; F615-L620 HydrophobicContact CE1-CB 4.21Å; F615-L620 HydrophobicContact CE1-CD2 3.86Å; F615-L620 HydrophobicContact CZ-CD2 4.09Å; F615-L625 HydrophobicContact CE1-CD2 4.21Å; F615-L625 HydrophobicContact CE2-CD2 3.8Å; F615-L625 HydrophobicContact CZ-CD2 3.56Å
616	D	92.8	Very high	91.7	Very high	79 Å²	79	67.3 Å²	67.3	42%	0.422	34%	0.344	S	S	.	.			trans	-82.9	84.7	-178.2	-176.6	10.9	0	0	0	112.1	E618 G619 L620 L625	D616-E618 VanDerWaalsContact C-N 3.29Å; D616-E618 PolarHBondContact O-N 3.25Å; D616-E618 PolarHBondContact OD1-N 2.84Å; D616-G619 VanDerWaalsContact CG-N 3.29Å; D616-G619 PolarHBondContact OD1-N 3.22Å; D616-G619 VanDerWaalsContact OD2-CA 3.27Å; D616-G619 WeakPolarHBondContact OD2-CA 3.42Å; D616-G619 PolarHBondContact OD2-N 2.69Å; D616-L620 WeakPolarHBondContact O-CB 3.4Å; D616-L620 PolarHBondContact O-N 2.77Å; D616-L625 HydrophobicContact CB-CD1 4.42Å
617	W	92.8	Very high	91.8	Very high	27 Å²	27	68.3 Å²	68.3	10%	0.102	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-30.6	176.8	-69.3	97.3	0	0	0	113.4	A458 V461 E462 R607 F612 F615 L620 R621	A458-W617 HydrophobicContact CB-CE3 4.41Å; A458-W617 HydrophobicContact CB-CH2 3.77Å; A458-W617 HydrophobicContact CB-CZ3 3.71Å; V461-W617 HydrophobicContact CB-CH2 4.02Å; V461-W617 HydrophobicContact CB-CZ3 4.11Å; V461-W617 HydrophobicContact CG1-CH2 3.78Å; V461-W617 HydrophobicContact CG1-CZ3 3.84Å; V461-W617 HydrophobicContact CG2-CH2 4.42Å; E462-W617 HydrophobicContact CG-CE3 4.48Å; E462-W617 HydrophobicContact CG-CZ3 4.38Å; R607-W617 HydrophobicContact CB-CD2 4.33Å; R607-W617 HydrophobicContact CB-CZ2 3.97Å; R607-W617 HydrophobicContact CG-CD2 3.85Å; R607-W617 HydrophobicContact CG-CE3 4.07Å; R607-W617 HydrophobicContact CG-CH2 3.88Å; R607-W617 HydrophobicContact CG-CZ2 3.62Å; R607-W617 HydrophobicContact CG-CZ3 4.08Å; R607-W617 PolarHBondContact O-NE1 3.18Å; F612-W617 HydrophobicContact CB-CZ2 4.11Å; F612-W617 HydrophobicContact CD1-CH2 4.13Å; F612-W617 AromaticContact CD1-CZ2 3.45Å; F612-W617 HydrophobicContact CD1-CZ2 3.45Å; F612-W617 VanDerWaalsContact CD1-CZ2 3.45Å; F612-W617 AromaticContact CD2-CZ2 3.86Å; F612-W617 HydrophobicContact CD2-CZ2 3.86Å; F612-W617 AromaticContact CE1-CH2 3.87Å; F612-W617 HydrophobicContact CE1-CH2 3.87Å; F612-W617 AromaticContact CE1-CZ2 3.68Å; F612-W617 HydrophobicContact CE1-CZ2 3.68Å; F612-W617 HydrophobicContact CE2-CH2 4.34Å; F612-W617 HydrophobicContact CE2-CZ2 4.05Å; F612-W617 HydrophobicContact CG-CH2 4.48Å; F612-W617 AromaticContact CG-CZ2 3.55Å; F612-W617 HydrophobicContact CG-CZ2 3.55Å; F612-W617 AromaticContact CZ-CH2 3.97Å; F612-W617 HydrophobicContact CZ-CH2 3.97Å; F612-W617 AromaticContact CZ-CZ2 3.96Å; F612-W617 HydrophobicContact CZ-CZ2 3.96Å; F615-W617 AromaticContact CD1-CD2 3.87Å; F615-W617 HydrophobicContact CD1-CD2 3.87Å; F615-W617 AromaticContact CD1-CE2 3.79Å; F615-W617 HydrophobicContact CD1-CE3 4.44Å; F615-W617 HydrophobicContact CD1-CG 4.02Å; F615-W617 HydrophobicContact CD1-CZ2 4.3Å; F615-W617 AromaticContact CD1-NE1 3.9Å; F615-W617 HydrophobicContact CE1-CD2 4.16Å; F615-W617 HydrophobicContact CE1-CE3 4.29Å; F615-W617 PolarHBondContact O-N 3.16Å; F615-W617 VanDerWaalsContact O-N 3.1Å; W617-L620 HydrophobicContact CE3-CD2 4.36Å; W617-L620 HydrophobicContact CZ3-CD2 4.48Å; W617-R621 WeakPolarHBondContact O-CG 3.29Å; W617-R621 PolarHBondContact O-N 3.04Å
618	E	90	Very high	91.8	Very high	132 Å²	132	70 Å²	70	62%	0.617	36%	0.364	S	S	*	.	H	α-helix	trans	-74.1	-46.9	178.8	-177.6	172.5	-173.4	0	0	110.5	D616 L620 R621 N622	D616-E618 VanDerWaalsContact C-N 3.29Å; D616-E618 PolarHBondContact O-N 3.25Å; D616-E618 PolarHBondContact OD1-N 2.84Å; E618-L620 VanDerWaalsContact C-N 3.28Å; E618-L620 PolarHBondContact O-N 3.39Å; E618-R621 PolarHBondContact O-N 2.8Å; E618-N622 WeakPolarHBondContact CG-ND2 3.27Å; E618-N622 WeakPolarHBondContact O-CB 3.48Å; E618-N622 PolarHBondContact O-N 3.44Å; E618-N622 PolarHBondContact O-ND2 2.9Å
619	G	89.1	Confident	91.9	Very high	1 Å²	1	63 Å²	63	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-39	171.4	0	0	0	0	0	112.4	D616 N622 R623 M624 L625	D616-G619 VanDerWaalsContact CG-N 3.29Å; D616-G619 PolarHBondContact OD1-N 3.22Å; D616-G619 VanDerWaalsContact OD2-CA 3.27Å; D616-G619 WeakPolarHBondContact OD2-CA 3.42Å; D616-G619 PolarHBondContact OD2-N 2.69Å; G619-N622 CarbonylContact O-C 3.6Å; G619-R623 CarbonylContact O-C 3.58Å; G619-R623 PolarHBondContact O-N 3.12Å; G619-M624 PolarHBondContact O-N 2.77Å; G619-L625 PolarHBondContact O-N 3.09Å; G619-L625 VanDerWaalsContact O-N 3.16Å
620	L	93.8	Very high	91.8	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-57.7	171.7	-177.7	67.5	0	0	0	110.7	Y412 F455 A458 E462 F615 D616 W617 E618 N622 R623 L625	Y412-L620 HydrophobicContact CE1-CD1 4.4Å; Y412-L620 WeakPolarHBondContact OH-CG 3.41Å; Y412-L620 PolarHBondContact OH-O 3.27Å; F455-L620 HydrophobicContact CD2-CD1 4.43Å; F455-L620 HydrophobicContact CE2-CD1 3.84Å; F455-L620 HydrophobicContact CZ-CD1 4.07Å; A458-L620 HydrophobicContact CB-CD2 3.49Å; A458-L620 VanDerWaalsContact CB-CD2 3.49Å; E462-L620 HydrophobicContact CG-CD2 4.2Å; F615-L620 HydrophobicContact CE1-CB 4.21Å; F615-L620 HydrophobicContact CE1-CD2 3.86Å; F615-L620 HydrophobicContact CZ-CD2 4.09Å; D616-L620 WeakPolarHBondContact O-CB 3.4Å; D616-L620 PolarHBondContact O-N 2.77Å; W617-L620 HydrophobicContact CE3-CD2 4.36Å; W617-L620 HydrophobicContact CZ3-CD2 4.48Å; E618-L620 VanDerWaalsContact C-N 3.28Å; E618-L620 PolarHBondContact O-N 3.39Å; L620-N622 PolarHBondContact O-N 3.21Å; L620-R623 WeakPolarHBondContact O-CA 3.37Å; L620-R623 PolarHBondContact O-N 2.65Å; L620-L625 HydrophobicContact CB-CD2 4.26Å
621	R	91.7	Very high	91.7	Very high	102 Å²	102	58.3 Å²	58.3	39%	0.385	33%	0.328	S	S	.	.	H	α-helix	trans	-55.4	-36.8	-179.6	-74.7	177.4	-164.1	121.8	11.3	113.7	E462 R607 W617 E618 R623	E462-R621 VanDerWaalsContact CD-NE 3.34Å; E462-R621 IonicContact OE1-CZ 2.68Å; E462-R621 IonicContact OE1-NE 2.62Å; E462-R621 PolarHBondContact OE1-NE 2.6Å; E462-R621 IonicContact OE1-NH2 3.67Å; E462-R621 PolarHBondContact OE1-NH2 3.48Å; E462-R621 WeakPolarHBondContact OE2-CG 3.34Å; E462-R621 IonicContact OE2-NE 3.52Å; E462-R621 PolarHBondContact OE2-NE 3.48Å; R607-R621 VanDerWaalsContact CZ-NH2 3.27Å; W617-R621 WeakPolarHBondContact O-CG 3.29Å; W617-R621 PolarHBondContact O-N 3.04Å; E618-R621 PolarHBondContact O-N 2.8Å; R621-R623 VanDerWaalsContact C-N 3.28Å
622	N	89.5	Confident	91.6	Very high	89 Å²	89	66.8 Å²	66.8	48%	0.476	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	1.7	178	-66.2	-29.1	0	0	0	113.2	E618 G619 L620 M624	E618-N622 WeakPolarHBondContact CG-ND2 3.27Å; E618-N622 WeakPolarHBondContact O-CB 3.48Å; E618-N622 PolarHBondContact O-N 3.44Å; E618-N622 PolarHBondContact O-ND2 2.9Å; G619-N622 CarbonylContact O-C 3.6Å; L620-N622 PolarHBondContact O-N 3.21Å; N622-M624 HydrophobicContact CB-CE 3.9Å; N622-M624 HydrophobicContact CB-CG 4Å; N622-M624 HydrophobicContact CB-SD 4.38Å; N622-M624 PolarHBondContact O-N 2.76Å
623	R	90.2	Very high	91.5	Very high	95 Å²	95	68.7 Å²	68.7	36%	0.358	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	29.2	-176.8	-56.8	-171.8	65.7	170.7	4.5	114.3	D485 T487 H489 G619 L620 R621	D485-R623 IonicContact OD1-NH2 2.65Å; D485-R623 IonicContact OD2-CZ 2.94Å; D485-R623 IonicContact OD2-NH1 3.54Å; D485-R623 IonicContact OD2-NH2 3.11Å; D485-R623 PolarHBondContact OD2-NH2 3.47Å; T487-R623 PolarHBondContact OG1-NH2 2.94Å; H489-R623 PolarHBondContact ND1-NH2 2.85Å; G619-R623 CarbonylContact O-C 3.58Å; G619-R623 PolarHBondContact O-N 3.12Å; L620-R623 WeakPolarHBondContact O-CA 3.37Å; L620-R623 PolarHBondContact O-N 2.65Å; R621-R623 VanDerWaalsContact C-N 3.28Å
624	M	90.8	Very high	91.6	Very high	130 Å²	130	71 Å²	71	64%	0.64	38%	0.379	S	S	*	.			trans	-91.9	-19.5	176	-59.6	-169.9	-59.9	0	0	112.5	G619 N622 P626	G619-M624 PolarHBondContact O-N 2.77Å; N622-M624 HydrophobicContact CB-CE 3.9Å; N622-M624 HydrophobicContact CB-CG 4Å; N622-M624 HydrophobicContact CB-SD 4.38Å; N622-M624 PolarHBondContact O-N 2.76Å; M624-P626 WeakPolarHBondContact O-CD 3.44Å
625	L	90	Very high	91.8	Very high	38 Å²	38	68.2 Å²	68.2	20%	0.199	35%	0.351	C	S	.	.	S	Bend	trans	-74.3	118.7	177.8	-173.2	63.8	0	0	0	110.1	F455 F615 D616 G619 L620 P627	F455-L625 HydrophobicContact CD2-CD2 3.87Å; F455-L625 HydrophobicContact CD2-CG 4.28Å; F455-L625 HydrophobicContact CE2-CB 4.45Å; F455-L625 HydrophobicContact CE2-CD2 4Å; F455-L625 HydrophobicContact CE2-CG 4.1Å; F615-L625 HydrophobicContact CE1-CD2 4.21Å; F615-L625 HydrophobicContact CE2-CD2 3.8Å; F615-L625 HydrophobicContact CZ-CD2 3.56Å; D616-L625 HydrophobicContact CB-CD1 4.42Å; G619-L625 PolarHBondContact O-N 3.09Å; G619-L625 VanDerWaalsContact O-N 3.16Å; L620-L625 HydrophobicContact CB-CD2 4.26Å; L625-P627 WeakPolarHBondContact O-CD 3.48Å
626	P	91.5	Very high	91.7	Very high	104 Å²	104	69.2 Å²	69.2	68%	0.675	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-63.8	128.4	-179	-23.2	34.9	0	0	0	111.9	M624	M624-P626 WeakPolarHBondContact O-CD 3.44Å
627	P	94.8	Very high	91.5	Very high	22 Å²	22	67.8 Å²	67.8	14%	0.143	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-65.5	144.5	175.7	-26	38.7	0	0	0	112.4	F455 T487 G488 H489 L625 I629	F455-P627 HydrophobicContact CE1-CB 3.88Å; F455-P627 HydrophobicContact CE1-CG 4.25Å; F455-P627 HydrophobicContact CE2-CB 4.45Å; F455-P627 HydrophobicContact CE2-CG 4.43Å; F455-P627 HydrophobicContact CZ-CB 3.77Å; F455-P627 HydrophobicContact CZ-CG 3.72Å; T487-P627 WeakPolarHBondContact O-CG 3.26Å; G488-P627 WeakPolarHBondContact O-CB 3.42Å; H489-P627 VanDerWaalsContact CE1-CG 3.49Å; H489-P627 WeakPolarHBondContact CE1-CG 3.33Å; L625-P627 WeakPolarHBondContact O-CD 3.48Å; P627-I629 PolarHBondContact O-N 3.15Å
628	P	94.8	Very high	91.5	Very high	55 Å²	55	67.6 Å²	67.6	36%	0.357	36%	0.358	S	S	.	.	S	Bend	trans	-69.5	-21.2	-179	29.5	-37	0	0	0	113	T452 F455 F456	T452-P628 HydrophobicContact CG2-CB 4.25Å; T452-P628 HydrophobicContact CG2-CG 4.04Å; F455-P628 HydrophobicContact CB-CG 3.95Å; F455-P628 HydrophobicContact CD1-CG 4.02Å; F455-P628 HydrophobicContact CG-CG 4.05Å; F456-P628 HydrophobicContact CE2-CG 4.44Å; F456-P628 HydrophobicContact CZ-CG 4.21Å
629	I	94.6	Very high	91.5	Very high	13 Å²	13	63.3 Å²	63.3	7%	0.067	34%	0.341	C	S	.	.			trans	-134.5	116.1	179	-54.2	177.8	0	0	0	107.3	L441 F448 T452 F456 G488 P627	L441-I629 HydrophobicContact CD1-CG2 4.46Å; F448-I629 HydrophobicContact CE1-CD1 4.15Å; T452-I629 HydrophobicContact CG2-CD1 4.03Å; T452-I629 HydrophobicContact CG2-CG1 4.39Å; F456-I629 HydrophobicContact CE2-CD1 4.11Å; F456-I629 HydrophobicContact CZ-CB 4.44Å; F456-I629 HydrophobicContact CZ-CD1 4.14Å; F456-I629 HydrophobicContact CZ-CG1 4.4Å; G488-I629 WeakPolarHBondContact CA-O 3.19Å; P627-I629 PolarHBondContact O-N 3.15Å
630	V	94.4	Very high	91.7	Very high	93 Å²	93	67 Å²	67	56%	0.564	37%	0.366	S	S	*	.			trans	-105.8	112	172.9	-176.8	0	0	0	0	107.8
631	P	92.2	Very high	91.6	Very high	17 Å²	17	69.1 Å²	69.1	11%	0.11	38%	0.378	C	S	.	.			trans	-60.7	144.6	177.8	-21.9	32.9	0	0	0	111.5	L484 I633	L484-P631 HydrophobicContact CB-CG 4.25Å; L484-P631 HydrophobicContact CD1-CG 4.19Å; P631-I633 HydrophobicContact CB-CD1 4.15Å; P631-I633 HydrophobicContact CB-CG1 4.3Å
632	K	92.7	Very high	91.5	Very high	180 Å²	180	65.6 Å²	65.6	78%	0.783	37%	0.365	S	S	*	.			trans	-83	121.4	170.4	-68.9	-179.3	179.2	179.2	0	108.1	N641	K632-N641 PolarHBondContact O-ND2 3.15Å; K632-N641 VanDerWaalsContact O-ND2 3.11Å
633	I	91.1	Very high	91.4	Very high	46 Å²	46	63.7 Å²	63.7	24%	0.236	36%	0.355	C	S	.	.			trans	-135.9	120.7	-178	-66.6	163.3	0	0	0	107.5	L434 A486 P631 G635 D638 N641	L434-I633 HydrophobicContact CB-CD1 3.93Å; L434-I633 HydrophobicContact CB-CG1 4.49Å; L434-I633 HydrophobicContact CD1-CG2 4.41Å; A486-I633 VanDerWaalsContact CA-CD1 3.47Å; A486-I633 HydrophobicContact CB-CD1 3.7Å; P631-I633 HydrophobicContact CB-CD1 4.15Å; P631-I633 HydrophobicContact CB-CG1 4.3Å; I633-G635 VanDerWaalsContact CG2-O 3.26Å; I633-G635 WeakPolarHBondContact CG2-O 3.5Å; I633-D638 HydrophobicContact CG2-CB 4.11Å; I633-N641 WeakPolarHBondContact CG1-ND2 3.49Å
634	N	90.9	Very high	91.1	Very high	151 Å²	151	67.9 Å²	67.9	81%	0.807	38%	0.378	S	S	*	.	S	Bend	trans	-86.7	-11.5	-176.5	-59.7	-68.6	0	0	0	113.3	D638	N634-D638 WeakPolarHBondContact CB-OD2 3.4Å; N634-D638 PolarHBondContact N-OD2 2.87Å; N634-D638 PolarHBondContact ND2-OD2 2.97Å
635	G	89.5	Confident	90.9	Very high	27 Å²	27	64.2 Å²	64.2	28%	0.278	36%	0.358	S	S	.	.	S	Bend	trans	171.9	177.8	179.9	0	0	0	0	0	112.7	I633 S637 D638	I633-G635 VanDerWaalsContact CG2-O 3.26Å; I633-G635 WeakPolarHBondContact CG2-O 3.5Å; G635-S637 PolarHBondContact O-N 2.74Å; G635-D638 VanDerWaalsContact O-CB 3.31Å; G635-D638 WeakPolarHBondContact O-CB 3.44Å; G635-D638 PolarHBondContact O-N 3.11Å; G635-D638 VanDerWaalsContact O-N 3.12Å
636	P	87.9	Confident	90.6	Very high	52 Å²	52	67 Å²	67	34%	0.338	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.9	-175.6	27.1	-34.2	0	0	0	113.4	T376 T378 L434	T376-P636 WeakPolarHBondContact O-CB 3.34Å; T378-P636 HydrophobicContact CG2-CB 3.84Å; T378-P636 WeakPolarHBondContact CG2-O 3.4Å; T378-P636 PolarHBondContact OG1-O 2.86Å; L434-P636 WeakPolarHBondContact CD1-O 3.19Å
637	S	89.2	Confident	90	Very high	49 Å²	49	65.8 Å²	65.8	34%	0.343	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	9.3	176.3	-62.1	0	0	0	0	113.8	G635 V639	G635-S637 PolarHBondContact O-N 2.74Å; S637-V639 PolarHBondContact O-N 3.12Å
638	D	92.1	Very high	89.2	Confident	23 Å²	23	67.8 Å²	67.8	12%	0.123	38%	0.381	C	S	.	.			trans	-77.7	119.8	-178.7	-170.8	-7.8	0	0	0	111.2	I633 N634 G635 S640	I633-D638 HydrophobicContact CG2-CB 4.11Å; N634-D638 WeakPolarHBondContact CB-OD2 3.4Å; N634-D638 PolarHBondContact N-OD2 2.87Å; N634-D638 PolarHBondContact ND2-OD2 2.97Å; G635-D638 VanDerWaalsContact O-CB 3.31Å; G635-D638 WeakPolarHBondContact O-CB 3.44Å; G635-D638 PolarHBondContact O-N 3.11Å; G635-D638 VanDerWaalsContact O-N 3.12Å; D638-S640 VanDerWaalsContact CG-OG 3.31Å; D638-S640 WeakPolarHBondContact OD1-CB 3.35Å; D638-S640 PolarHBondContact OD1-N 2.94Å; D638-S640 PolarHBondContact OD1-OG 2.58Å; D638-S640 PolarHBondContact OD2-OG 3.24Å
639	V	91.4	Very high	88.4	Confident	43 Å²	43	74.7 Å²	74.7	26%	0.261	40%	0.402	S	S	.	.			trans	-112.3	14.7	179	-63.3	0	0	0	0	112.9	A356 L358 L368 S637 N641 F642	A356-V639 HydrophobicContact CB-CG1 4.06Å; A356-V639 HydrophobicContact CB-CG2 4.02Å; L358-V639 HydrophobicContact CD2-CB 4.46Å; L358-V639 HydrophobicContact CD2-CG1 3.71Å; L368-V639 HydrophobicContact CB-CG1 4.42Å; L368-V639 HydrophobicContact CD2-CG1 3.45Å; L368-V639 VanDerWaalsContact CD2-CG1 3.45Å; S637-V639 PolarHBondContact O-N 3.12Å; V639-N641 PolarHBondContact O-N 3.23Å; V639-N641 VanDerWaalsContact O-N 3.14Å; V639-F642 HydrophobicContact CB-CD2 4.48Å; V639-F642 PolarHBondContact O-N 3.49Å
640	S	92.4	Very high	87.9	Confident	78 Å²	78	78.7 Å²	78.7	55%	0.545	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19	-177.3	56.6	0	0	0	0	114.7	D638 F642	D638-S640 VanDerWaalsContact CG-OG 3.31Å; D638-S640 WeakPolarHBondContact OD1-CB 3.35Å; D638-S640 PolarHBondContact OD1-N 2.94Å; D638-S640 PolarHBondContact OD1-OG 2.58Å; D638-S640 PolarHBondContact OD2-OG 3.24Å; S640-F642 VanDerWaalsContact C-N 3.32Å
641	N	91.8	Very high	87.5	Confident	45 Å²	45	80 Å²	80	24%	0.241	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	5.5	176	-59	-55.1	0	0	0	113.7	L434 G436 K632 I633 V639	L434-N641 PolarHBondContact O-ND2 2.59Å; L434-N641 VanDerWaalsContact O-ND2 3.13Å; G436-N641 WeakPolarHBondContact CA-O 3.38Å; K632-N641 PolarHBondContact O-ND2 3.15Å; K632-N641 VanDerWaalsContact O-ND2 3.11Å; I633-N641 WeakPolarHBondContact CG1-ND2 3.49Å; V639-N641 PolarHBondContact O-N 3.23Å; V639-N641 VanDerWaalsContact O-N 3.14Å
642	F	89.6	Confident	87.4	Confident	27 Å²	27	79.7 Å²	79.7	12%	0.118	42%	0.424	C	S	.	.	S	Bend	trans	-116.4	153.2	179.2	-65.1	-93.5	0	0	0	111.5	L358 C433 V639 S640	L358-F642 HydrophobicContact CB-CD1 4.26Å; L358-F642 HydrophobicContact CB-CE1 4.26Å; L358-F642 HydrophobicContact CD2-CD1 4.24Å; L358-F642 HydrophobicContact CD2-CD2 3.81Å; L358-F642 HydrophobicContact CD2-CE1 4.24Å; L358-F642 HydrophobicContact CD2-CE2 3.81Å; L358-F642 HydrophobicContact CD2-CG 4.02Å; L358-F642 HydrophobicContact CD2-CZ 4.01Å; C433-F642 VanDerWaalsContact O-CZ 3.29Å; C433-F642 WeakPolarHBondContact O-CZ 3.47Å; V639-F642 HydrophobicContact CB-CD2 4.48Å; V639-F642 PolarHBondContact O-N 3.49Å; S640-F642 VanDerWaalsContact C-N 3.32Å
643	D	86.6	Confident	87.3	Confident	50 Å²	50	74.6 Å²	74.6	27%	0.267	41%	0.409	S	S	.	.			trans	-64.5	149.2	170.4	-61.9	-44.2	0	0	0	110.3	K47 R443 Y645	K47-D643 WeakPolarHBondContact CE-OD2 3.33Å; K47-D643 IonicContact NZ-OD2 3.44Å; K47-D643 PolarHBondContact NZ-OD2 2.97Å; R443-D643 IonicContact NH1-OD1 3.53Å; D643-Y645 HydrophobicContact CB-CE2 4.04Å; D643-Y645 VanDerWaalsContact O-CD2 3.22Å; D643-Y645 WeakPolarHBondContact O-CD2 3.31Å; D643-Y645 WeakPolarHBondContact O-CE2 3.43Å
644	H	85.5	Confident	87.5	Confident	183 Å²	183	75.9 Å²	75.9	85%	0.847	42%	0.417	S	S	*	.			trans	-81.7	123.8	177.4	-174.2	72.3	0	0	0	111.2
645	Y	86.3	Confident	87.5	Confident	53 Å²	53	69.6 Å²	69.6	21%	0.208	38%	0.382	C	S	.	.			trans	-113.9	133.9	175.3	-59.3	-84.4	0	0	0	111	K47 T357 L358 V360 D643	K47-Y645 PolarHBondContact NZ-OH 3.09Å; T357-Y645 HydrophobicContact CG2-CD2 4.26Å; T357-Y645 HydrophobicContact CG2-CG 4.3Å; L358-Y645 WeakPolarHBondContact O-CE2 3.28Å; V360-Y645 HydrophobicContact CB-CD1 4.42Å; V360-Y645 HydrophobicContact CG2-CD1 3.68Å; V360-Y645 HydrophobicContact CG2-CE1 4.26Å; V360-Y645 HydrophobicContact CG2-CG 3.98Å; D643-Y645 HydrophobicContact CB-CE2 4.04Å; D643-Y645 VanDerWaalsContact O-CD2 3.22Å; D643-Y645 WeakPolarHBondContact O-CD2 3.31Å; D643-Y645 WeakPolarHBondContact O-CE2 3.43Å
646	P	83.9	Confident	87.6	Confident	96 Å²	96	74.2 Å²	74.2	62%	0.623	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-66.8	148.5	176.8	29.5	-35	0	0	0	110.7	R365	R365-P646 VanDerWaalsContact CZ-O 3.24Å; R365-P646 PolarHBondContact NH1-O 2.99Å; R365-P646 PolarHBondContact NH2-O 3.04Å
647	S	78.6	Confident	87.5	Confident	79 Å²	79	75.5 Å²	75.5	55%	0.552	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-54.4	148	176.7	-57.8	0	0	0	0	112.9
648	D	77.6	Confident	87.5	Confident	63 Å²	63	74.1 Å²	74.1	34%	0.337	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-87.3	126.9	174.7	-156.7	-8.5	0	0	0	110.1	R365 K385 D650	R365-D648 WeakPolarHBondContact CD-OD2 3.45Å; R365-D648 VanDerWaalsContact NH1-CB 3.32Å; R365-D648 VanDerWaalsContact NH1-N 3.11Å; K385-D648 IonicContact NZ-OD2 3.52Å; K385-D648 PolarHBondContact NZ-OD2 2.88Å; D648-D650 WeakPolarHBondContact OD1-CB 3.41Å; D648-D650 PolarHBondContact OD1-N 3.09Å
649	Y	79	Confident	87.3	Confident	201 Å²	201	75.2 Å²	75.2	79%	0.788	41%	0.406	S	S	*	.			trans	-111.1	-1.3	172.7	-58.9	-76	0	0	0	111.9	I651	Y649-I651 PolarHBondContact O-N 2.73Å
650	D	83.6	Confident	87.2	Confident	97 Å²	97	73.2 Å²	73.2	52%	0.519	39%	0.394	S	S	.	.			trans	-84.3	104.8	-179.7	178.9	41.6	0	0	0	111.2	K385 D648	K385-D650 PolarHBondContact NZ-O 3.17Å; K385-D650 IonicContact NZ-OD2 3.43Å; K385-D650 PolarHBondContact NZ-OD2 2.93Å; D648-D650 WeakPolarHBondContact OD1-CB 3.41Å; D648-D650 PolarHBondContact OD1-N 3.09Å
651	I	86	Confident	86.8	Confident	120 Å²	120	76.5 Å²	76.5	62%	0.615	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-94.8	116.7	179.9	-57.3	174.3	0	0	0	108.8	K424 Y649	K424-I651 HydrophobicContact CD-CG2 3.68Å; Y649-I651 PolarHBondContact O-N 2.73Å
652	P	89.5	Confident	86.2	Confident	10 Å²	10	76.5 Å²	76.5	7%	0.065	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-70.3	159.8	178.8	32.9	-37.7	0	0	0	111.5	K385 K424 Y425	K385-P652 HydrophobicContact CB-CB 4.3Å; K385-P652 HydrophobicContact CB-CG 4.23Å; K385-P652 HydrophobicContact CD-CB 4.33Å; K385-P652 HydrophobicContact CD-CG 4.33Å; K385-P652 HydrophobicContact CG-CB 4.31Å; K385-P652 HydrophobicContact CG-CG 3.97Å; K424-P652 HydrophobicContact CB-CG 4.08Å; K424-P652 WeakPolarHBondContact CD-O 2.93Å; K424-P652 PolarHBondContact NZ-O 3.12Å; Y425-P652 HydrophobicContact CE1-CG 4.07Å; Y425-P652 HydrophobicContact CE2-CG 4.09Å; Y425-P652 VanDerWaalsContact CZ-CD 3.44Å; Y425-P652 WeakPolarHBondContact OH-CD 3.25Å
653	P	91.3	Very high	86	Confident	74 Å²	74	76.6 Å²	76.6	48%	0.481	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-62.8	159.7	171.8	28.9	-35.5	0	0	0	111.3	K387	K387-P653 HydrophobicContact CB-CG 4.02Å; K387-P653 HydrophobicContact CD-CG 4.15Å; K387-P653 HydrophobicContact CG-CG 3.76Å
654	D	93.9	Very high	86	Confident	73 Å²	73	77.9 Å²	77.9	39%	0.39	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-62.8	142.9	171.6	-75.5	12	0	0	0	110.2	R423 K424 L656	R423-D654 HydrophobicContact CB-CB 4.39Å; R423-D654 WeakPolarHBondContact CD-OD2 3.16Å; R423-D654 CarbonylContact O-C 3.54Å; R423-D654 WeakPolarHBondContact O-CA 3.36Å; K424-D654 VanDerWaalsContact CE-OD1 3.27Å; K424-D654 WeakPolarHBondContact CE-OD1 2.96Å; K424-D654 WeakPolarHBondContact CG-OD1 3.22Å; K424-D654 IonicContact NZ-OD1 3.89Å; K424-D654 PolarHBondContact NZ-OD1 3.07Å; D654-L656 HydrophobicContact CB-CG 4.46Å
655	E	93	Very high	86	Confident	18 Å²	18	72.4 Å²	72.4	8%	0.084	40%	0.397	C	S	.	.			trans	-134.9	111.8	177.7	-159.1	-59.7	111	0	0	108.1	K386 I390 R423 S657 W659	K386-E655 HydrophobicContact CB-CB 3.63Å; K386-E655 HydrophobicContact CB-CG 4Å; K386-E655 HydrophobicContact CD-CB 3.97Å; K386-E655 PolarHBondContact NZ-O 2.75Å; I390-E655 HydrophobicContact CD1-CG 3.43Å; I390-E655 VanDerWaalsContact CD1-CG 3.43Å; I390-E655 WeakPolarHBondContact CD1-OE1 3.47Å; I390-E655 HydrophobicContact CG1-CG 4.41Å; R423-E655 PolarHBondContact O-N 2.9Å; E655-S657 VanDerWaalsContact CD-OG 3.28Å; E655-S657 WeakPolarHBondContact OE1-CB 3.48Å; E655-S657 PolarHBondContact OE1-N 3.47Å; E655-S657 PolarHBondContact OE1-OG 3.26Å; E655-S657 PolarHBondContact OE2-OG 2.99Å; E655-W659 PolarHBondContact OE2-NE1 2.61Å
656	L	90.4	Very high	86	Confident	125 Å²	125	73.4 Å²	73.4	65%	0.654	41%	0.407	S	S	*	.			trans	-124.8	18.4	-165.7	-56.2	178	0	0	0	112.8	R423 D654 G658	R423-L656 HydrophobicContact CB-CD2 4.03Å; R423-L656 HydrophobicContact CG-CD2 3.9Å; D654-L656 HydrophobicContact CB-CG 4.46Å; L656-G658 PolarHBondContact O-N 3.32Å
657	S	87.1	Confident	86.1	Confident	78 Å²	78	72.1 Å²	72.1	55%	0.545	39%	0.394	S	S	.	.	S	Bend	trans	-70.5	-9.4	-179	59.5	0	0	0	0	114.3	E655 W659	E655-S657 VanDerWaalsContact CD-OG 3.28Å; E655-S657 WeakPolarHBondContact OE1-CB 3.48Å; E655-S657 PolarHBondContact OE1-N 3.47Å; E655-S657 PolarHBondContact OE1-OG 3.26Å; E655-S657 PolarHBondContact OE2-OG 2.99Å; S657-W659 VanDerWaalsContact C-N 3.27Å; S657-W659 PolarHBondContact O-N 2.76Å; S657-W659 VanDerWaalsContact OG-CD1 3.29Å
658	G	87.3	Confident	86.6	Confident	21 Å²	21	71.7 Å²	71.7	22%	0.216	38%	0.384	C	S	.	.	S	Bend	trans	78.8	3.2	176.3	0	0	0	0	0	114.8	L656 D660 E661	L656-G658 PolarHBondContact O-N 3.32Å; G658-D660 PolarHBondContact O-N 3.23Å; G658-E661 WeakPolarHBondContact O-CB 3.49Å; G658-E661 VanDerWaalsContact O-CG 3.29Å; G658-E661 WeakPolarHBondContact O-CG 3.43Å; G658-E661 PolarHBondContact O-N 3.43Å; G658-E661 VanDerWaalsContact O-N 3.1Å
659	W	88.8	Confident	87.2	Confident	45 Å²	45	72.3 Å²	72.3	17%	0.17	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.8	178.9	74.6	-82	0	0	0	113.3	K386 I389 Q395 F399 V426 E655 S657	K386-W659 HydrophobicContact CB-CZ2 4.47Å; K386-W659 HydrophobicContact CG-CZ2 4.26Å; I389-W659 HydrophobicContact CB-CH2 4.27Å; I389-W659 HydrophobicContact CB-CZ2 4.24Å; I389-W659 HydrophobicContact CD1-CH2 3.83Å; I389-W659 HydrophobicContact CD1-CZ2 4.08Å; I389-W659 HydrophobicContact CG2-CH2 3.67Å; I389-W659 HydrophobicContact CG2-CZ2 4.03Å; I389-W659 HydrophobicContact CG2-CZ3 4.2Å; Q395-W659 HydrophobicContact CB-CD2 4.26Å; Q395-W659 HydrophobicContact CB-CE3 3.47Å; Q395-W659 VanDerWaalsContact CB-CE3 3.47Å; Q395-W659 HydrophobicContact CB-CZ3 3.74Å; Q395-W659 HydrophobicContact CG-CD2 3.61Å; Q395-W659 HydrophobicContact CG-CE3 3.33Å; Q395-W659 HydrophobicContact CG-CG 4.16Å; Q395-W659 HydrophobicContact CG-CH2 4.44Å; Q395-W659 HydrophobicContact CG-CZ3 3.8Å; F399-W659 HydrophobicContact CD2-CE3 4.08Å; F399-W659 AromaticContact CD2-CZ3 3.85Å; F399-W659 HydrophobicContact CD2-CZ3 3.85Å; F399-W659 AromaticContact CE2-CE3 3.53Å; F399-W659 HydrophobicContact CE2-CE3 3.53Å; F399-W659 AromaticContact CE2-CZ3 3.57Å; F399-W659 HydrophobicContact CE2-CZ3 3.57Å; F399-W659 WeakPolarHBondContact CE2-O 3.5Å; F399-W659 WeakPolarHBondContact CZ-O 3.19Å; V426-W659 HydrophobicContact CG1-CH2 4.47Å; V426-W659 HydrophobicContact CG1-CZ2 4.43Å; V426-W659 HydrophobicContact CG2-CH2 4.43Å; E655-W659 PolarHBondContact OE2-NE1 2.61Å; S657-W659 VanDerWaalsContact C-N 3.27Å; S657-W659 PolarHBondContact O-N 2.76Å; S657-W659 VanDerWaalsContact OG-CD1 3.29Å
660	D	88.9	Confident	87.7	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.011	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	14.9	-177.1	73	-36	0	0	0	113.8	K386 R421 V426 G658 G662 F663	K386-D660 WeakPolarHBondContact CE-OD2 3.25Å; K386-D660 VanDerWaalsContact NZ-CG 3.3Å; K386-D660 IonicContact NZ-OD1 3.06Å; K386-D660 PolarHBondContact NZ-OD1 2.97Å; K386-D660 IonicContact NZ-OD2 2.63Å; K386-D660 PolarHBondContact NZ-OD2 3.28Å; R421-D660 WeakPolarHBondContact CB-OD2 3.31Å; R421-D660 WeakPolarHBondContact CD-O 3.38Å; R421-D660 WeakPolarHBondContact CD-OD2 3.49Å; R421-D660 IonicContact NH1-OD1 2.76Å; R421-D660 PolarHBondContact NH1-OD1 2.86Å; R421-D660 VanDerWaalsContact NH1-OD1 3.11Å; R421-D660 IonicContact NH1-OD2 2.77Å; V426-D660 HydrophobicContact CG1-CB 3.7Å; G658-D660 PolarHBondContact O-N 3.23Å; D660-G662 PolarHBondContact O-N 3.28Å; D660-F663 HydrophobicContact CB-CD2 4.36Å; D660-F663 WeakPolarHBondContact O-CB 3.33Å; D660-F663 PolarHBondContact O-N 3.32Å
661	E	84.5	Confident	88.1	Confident	146 Å²	146	60.5 Å²	60.5	68%	0.682	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-26.1	-176.4	-90.5	177.5	-170.9	0	0	115.5	G658 F663	G658-E661 WeakPolarHBondContact O-CB 3.49Å; G658-E661 VanDerWaalsContact O-CG 3.29Å; G658-E661 WeakPolarHBondContact O-CG 3.43Å; G658-E661 PolarHBondContact O-N 3.43Å; G658-E661 VanDerWaalsContact O-N 3.1Å; E661-F663 VanDerWaalsContact C-N 3.34Å
662	G	78.1	Confident	88.2	Confident	45 Å²	45	55.5 Å²	55.5	46%	0.464	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.4	176.4	0	0	0	0	0	115.6	R402 D660	R402-G662 PolarHBondContact NH1-O 3.35Å; D660-G662 PolarHBondContact O-N 3.28Å
663	F	86	Confident	88.1	Confident	29 Å²	29	59.6 Å²	59.6	13%	0.127	35%	0.348	C	S	.	.			trans	-84.6	0	-178.7	-94.2	-99	0	0	0	113.9	I398 F399 R402 T419 R421 V426 M428 D660 E661	I398-F663 HydrophobicContact CG2-CE1 4.49Å; I398-F663 HydrophobicContact CG2-CE2 4.01Å; I398-F663 HydrophobicContact CG2-CZ 3.5Å; F399-F663 HydrophobicContact CD2-CE2 4.17Å; F399-F663 HydrophobicContact CE1-CD2 4.31Å; F399-F663 HydrophobicContact CE1-CE2 4.37Å; F399-F663 HydrophobicContact CE2-CD2 4.18Å; F399-F663 AromaticContact CE2-CE2 3.99Å; F399-F663 HydrophobicContact CE2-CE2 3.99Å; F399-F663 HydrophobicContact CG-CE2 4.42Å; F399-F663 AromaticContact CZ-CD2 3.94Å; F399-F663 HydrophobicContact CZ-CD2 3.94Å; F399-F663 HydrophobicContact CZ-CE2 4.11Å; R402-F663 HydrophobicContact CB-CZ 4.28Å; R402-F663 HydrophobicContact CG-CE1 4.46Å; R402-F663 HydrophobicContact CG-CZ 4.32Å; T419-F663 VanDerWaalsContact C-OXT 3.27Å; T419-F663 WeakPolarHBondContact CB-OXT 3.49Å; T419-F663 HydrophobicContact CG2-CD1 3.91Å; T419-F663 HydrophobicContact CG2-CE1 3.96Å; T419-F663 PolarHBondContact OG1-OXT 3.39Å; R421-F663 HydrophobicContact CB-CB 4.11Å; R421-F663 HydrophobicContact CG-CB 4.35Å; V426-F663 HydrophobicContact CB-CD1 3.7Å; V426-F663 HydrophobicContact CB-CE1 3.89Å; V426-F663 HydrophobicContact CB-CG 4.08Å; V426-F663 HydrophobicContact CB-CZ 4.41Å; V426-F663 HydrophobicContact CG1-CB 4.27Å; V426-F663 HydrophobicContact CG1-CD1 4.04Å; V426-F663 HydrophobicContact CG1-CD2 4.15Å; V426-F663 HydrophobicContact CG1-CE1 4.49Å; V426-F663 HydrophobicContact CG1-CG 3.88Å; V426-F663 HydrophobicContact CG2-CE1 4.24Å; V426-F663 HydrophobicContact CG2-CZ 4.44Å; M428-F663 HydrophobicContact CE-CE1 4.12Å; M428-F663 HydrophobicContact CE-CZ 4.06Å; M428-F663 HydrophobicContact CG-CE1 4.32Å; D660-F663 HydrophobicContact CB-CD2 4.36Å; D660-F663 WeakPolarHBondContact O-CB 3.33Å; D660-F663 PolarHBondContact O-N 3.32Å; E661-F663 VanDerWaalsContact C-N 3.34Å

Retrieved 663 of 663 residues in 373.9 ms (Link to these results)

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