A0A3Q0KU52_SCHMA Loading...

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AlphaFold DB , UniProt , Accession A0A3Q0KU52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 710 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	31.2	Very low	36.3	Very low	204 Å²	204	151.1 Å²	151.1	100%	1.005	69%	0.691	S	S	*	*				0	-52	0	-113	-170.6	-97.7	0	0	112.7	R3 K4 V5	M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3.36Å; M1-K4 PolarHBondContact O-N 3.28Å; M1-V5 PolarHBondContact O-N 2.98Å
2	L	31.5	Very low	36.2	Very low	144 Å²	144	150.8 Å²	150.8	75%	0.754	69%	0.688	S	S	*	*	H	α-helix	trans	-51.8	-38.4	177.3	-81.2	149.9	0	0	0	114.8	K4 V5 F6	L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 3.21Å; L2-V5 PolarHBondContact O-N 2.94Å; L2-F6 PolarHBondContact O-N 3.21Å
3	R	35.1	Very low	35.8	Very low	224 Å²	224	152.4 Å²	152.4	85%	0.845	69%	0.692	S	S	*	*	H	α-helix	trans	-60.7	-34.6	174.9	-126.5	179.2	-174.2	-174.5	1.4	113.8	M1 L7	M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3.36Å; R3-L7 PolarHBondContact O-N 3.05Å
4	K	37.2	Very low	35.4	Very low	173 Å²	173	149.7 Å²	149.7	75%	0.752	69%	0.685	S	S	*	*	H	α-helix	trans	-77.3	-30.9	177	-74.6	-173.2	175.9	-177.7	0	112.2	M1 L2 R8	M1-K4 PolarHBondContact O-N 3.28Å; L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 3.21Å; K4-R8 PolarHBondContact O-N 3.23Å
5	V	43.5	Very low	35.2	Very low	81 Å²	81	148.3 Å²	148.3	49%	0.491	68%	0.682	S	S	.	*	H	α-helix	trans	-72.3	-43.1	175.4	179	0	0	0	0	110.6	M1 L2 L7 R8 Q9	M1-V5 PolarHBondContact O-N 2.98Å; L2-V5 PolarHBondContact O-N 2.94Å; V5-L7 PolarHBondContact O-N 3.47Å; V5-R8 PolarHBondContact O-N 2.92Å; V5-Q9 PolarHBondContact O-N 3.23Å
6	F	38.7	Very low	35	Very low	144 Å²	144	146.9 Å²	146.9	63%	0.632	68%	0.681	S	S	*	*	H	α-helix	trans	-63.1	-39.4	176.2	-116.4	-85.6	0	0	0	112.5	L2 Q9 K10	L2-F6 PolarHBondContact O-N 3.21Å; F6-Q9 PolarHBondContact O-N 3.45Å; F6-K10 PolarHBondContact O-N 2.98Å
7	L	38.2	Very low	34.7	Very low	115 Å²	115	148.5 Å²	148.5	60%	0.602	69%	0.689	S	S	*	*	H	α-helix	trans	-63.5	-40.8	174.8	-119.3	95.6	0	0	0	112	R3 V5 K10 L11	R3-L7 PolarHBondContact O-N 3.05Å; V5-L7 PolarHBondContact O-N 3.47Å; L7-K10 PolarHBondContact O-N 3.33Å; L7-L11 WeakPolarHBondContact O-CB 3.27Å; L7-L11 PolarHBondContact O-N 3.46Å
8	R	39.9	Very low	34.4	Very low	203 Å²	203	144.6 Å²	144.6	77%	0.766	68%	0.681	S	S	*	*	H	α-helix	trans	-67.5	-40.5	177.8	-84.2	-173.5	173.8	-166.3	-2	112.8	K4 V5 L11 F12	K4-R8 PolarHBondContact O-N 3.23Å; V5-R8 PolarHBondContact O-N 2.92Å; R8-L11 PolarHBondContact O-N 2.95Å; R8-F12 PolarHBondContact O-N 3.45Å
9	Q	35.2	Very low	34	Very low	124 Å²	124	143.3 Å²	143.3	58%	0.579	69%	0.687	S	S	*	*	H	α-helix	trans	-67.2	-35.4	176	-85.4	-178.1	-23	0	0	112.6	V5 F6 K13	V5-Q9 PolarHBondContact O-N 3.23Å; F6-Q9 PolarHBondContact O-N 3.45Å; Q9-K13 PolarHBondContact O-N 3.18Å
10	K	35.3	Very low	33.8	Very low	151 Å²	151	145 Å²	145	66%	0.657	70%	0.695	S	S	*	*	H	α-helix	trans	-68.7	-40.3	173.1	-116.4	-179.3	177.4	-175.3	0	112.1	F6 L7 K13 L14	F6-K10 PolarHBondContact O-N 2.98Å; L7-K10 PolarHBondContact O-N 3.33Å; K10-K13 PolarHBondContact O-N 2.77Å; K10-L14 WeakPolarHBondContact O-CD1 3.45Å; K10-L14 PolarHBondContact O-N 3.22Å; K10-L14 VanDerWaalsContact O-N 3.15Å
11	L	33.8	Very low	33.6	Very low	99 Å²	99	143.1 Å²	143.1	52%	0.518	70%	0.697	S	S	.	*	H	α-helix	trans	-62.2	-42.1	175.4	-112.1	118.9	0	0	0	112.1	L7 R8 L14 M15	L7-L11 WeakPolarHBondContact O-CB 3.27Å; L7-L11 PolarHBondContact O-N 3.46Å; R8-L11 PolarHBondContact O-N 2.95Å; L11-L14 PolarHBondContact O-N 3.45Å; L11-M15 WeakPolarHBondContact O-CG 3.47Å; L11-M15 PolarHBondContact O-N 3.37Å; L11-M15 VanDerWaalsContact O-N 3.08Å
12	F	35.2	Very low	33.4	Very low	148 Å²	148	139.1 Å²	139.1	65%	0.649	68%	0.679	S	S	*	*	H	α-helix	trans	-67.8	-41	-179.9	-130	-87.2	0	0	0	112.1	R8 L14 M15 D16	R8-F12 PolarHBondContact O-N 3.45Å; F12-L14 VanDerWaalsContact C-N 3.29Å; F12-L14 PolarHBondContact O-N 3.48Å; F12-M15 PolarHBondContact O-N 3.15Å; F12-D16 PolarHBondContact O-N 3.18Å
13	K	31.2	Very low	33.6	Very low	171 Å²	171	138 Å²	138	74%	0.743	68%	0.679	S	S	*	*	H	α-helix	trans	-66.9	-26.7	175.8	-82.4	-171.1	173.6	-173	0	114.1	Q9 K10	Q9-K13 PolarHBondContact O-N 3.18Å; K10-K13 PolarHBondContact O-N 2.77Å
14	L	30.5	Very low	33.3	Very low	115 Å²	115	131.9 Å²	131.9	60%	0.602	67%	0.668	S	S	*	*	H	α-helix	trans	-84.3	-28.7	178.6	-80	160	0	0	0	112.5	K10 L11 F12 S18	K10-L14 WeakPolarHBondContact O-CD1 3.45Å; K10-L14 PolarHBondContact O-N 3.22Å; K10-L14 VanDerWaalsContact O-N 3.15Å; L11-L14 PolarHBondContact O-N 3.45Å; F12-L14 VanDerWaalsContact C-N 3.29Å; F12-L14 PolarHBondContact O-N 3.48Å; L14-S18 PolarHBondContact O-OG 3.3Å
15	M	31.9	Very low	32.9	Very low	129 Å²	129	126.9 Å²	126.9	64%	0.635	65%	0.654	S	S	*	*	H	α-helix	trans	-72.1	-30.1	175.4	-77.5	-179.7	53.1	0	0	113.3	L11 F12 H17	L11-M15 WeakPolarHBondContact O-CG 3.47Å; L11-M15 PolarHBondContact O-N 3.37Å; L11-M15 VanDerWaalsContact O-N 3.08Å; F12-M15 PolarHBondContact O-N 3.15Å; M15-H17 VanDerWaalsContact C-N 3.25Å; M15-H17 PolarHBondContact O-N 2.97Å
16	D	31.2	Very low	32.4	Very low	125 Å²	125	127.7 Å²	127.7	67%	0.668	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-17.5	178.4	-88.2	-15	0	0	0	113.8	F12	F12-D16 PolarHBondContact O-N 3.18Å
17	H	31.2	Very low	32	Very low	174 Å²	174	126.8 Å²	126.8	81%	0.806	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	13.2	-174.3	-89.9	-60.9	0	0	0	115.4	M15	M15-H17 VanDerWaalsContact C-N 3.25Å; M15-H17 PolarHBondContact O-N 2.97Å
18	S	28.8	Very low	31.6	Very low	79 Å²	79	127.9 Å²	127.9	55%	0.552	66%	0.66	S	S	*	*			trans	-127	50.5	178.5	45.6	0	0	0	0	112.4	L14	L14-S18 PolarHBondContact O-OG 3.3Å
19	C	27.2	Very low	31.2	Very low	119 Å²	119	125.6 Å²	125.6	80%	0.804	66%	0.663	S	S	*	*	S	Bend	trans	-85.8	126.5	145.8	-83.4	0	0	0	0	106.5
20	E	28.8	Very low	31	Very low	178 Å²	178	124.9 Å²	124.9	83%	0.832	67%	0.67	S	S	*	*	S	Bend	trans	88	108.5	-176.4	-55.5	179.8	162.5	0	0	114.5
21	S	29.9	Very low	31.2	Very low	106 Å²	106	121.3 Å²	121.3	74%	0.741	66%	0.661	S	S	*	*	S	Bend	trans	49.3	89.8	159.8	57.5	0	0	0	0	117.4
22	D	27.3	Very low	31.1	Very low	119 Å²	119	120.3 Å²	120.3	64%	0.636	68%	0.675	S	S	*	*			trans	171.4	76.4	135.2	-85.1	-20.9	0	0	0	111.3
23	V	35.1	Very low	31.1	Very low	122 Å²	122	118.5 Å²	118.5	74%	0.739	67%	0.672	S	S	*	*	H	α-helix	trans	-64.8	-27.5	171.1	-178.6	0	0	0	0	114.2	S25	V23-S25 VanDerWaalsContact C-N 3.29Å; V23-S25 PolarHBondContact O-N 3.37Å
24	P	29.1	Very low	31.2	Very low	95 Å²	95	118.8 Å²	118.8	62%	0.617	68%	0.676	S	S	*	*	H	α-helix	trans	-64.8	-30.9	-179.4	-22.1	33.6	0	0	0	113.9	V26 M27 H28	P24-V26 PolarHBondContact O-N 3.28Å; P24-M27 PolarHBondContact O-N 3.48Å; P24-H28 PolarHBondContact O-N 3.27Å
25	S	29.7	Very low	31.4	Very low	67 Å²	67	119.4 Å²	119.4	47%	0.469	68%	0.679	S	S	.	*	H	α-helix	trans	-68.7	-32.7	-174.1	-45.5	0	0	0	0	113.1	V23 M27	V23-S25 VanDerWaalsContact C-N 3.29Å; V23-S25 PolarHBondContact O-N 3.37Å; S25-M27 VanDerWaalsContact C-N 3.3Å; S25-M27 PolarHBondContact O-N 3.26Å
26	V	32.4	Very low	31.6	Very low	99 Å²	99	115.5 Å²	115.5	60%	0.6	67%	0.668	S	S	*	*	H	α-helix	trans	-72	-29.2	179.4	-177	0	0	0	0	111	P24	P24-V26 PolarHBondContact O-N 3.28Å
27	M	29.8	Very low	31.7	Very low	125 Å²	125	113.2 Å²	113.2	62%	0.616	66%	0.655	S	S	*	*	H	α-helix	trans	-76	-30.5	-179.1	-135	162.8	-170.7	0	0	112.2	P24 S25 L29 C30 T31	P24-M27 PolarHBondContact O-N 3.48Å; S25-M27 VanDerWaalsContact C-N 3.3Å; S25-M27 PolarHBondContact O-N 3.26Å; M27-L29 PolarHBondContact O-N 3.23Å; M27-C30 PolarHBondContact O-N 3.49Å; M27-T31 PolarHBondContact O-OG1 3.45Å
28	H	30.8	Very low	31.7	Very low	138 Å²	138	110.9 Å²	110.9	64%	0.639	65%	0.648	S	S	*	*	H	α-helix	trans	-62.8	-26.7	-179.1	-132.6	-47.2	0	0	0	113.9	P24	P24-H28 PolarHBondContact O-N 3.27Å
29	L	30.4	Very low	32	Very low	155 Å²	155	114.5 Å²	114.5	81%	0.812	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-15.8	-178.2	-97.4	142.6	0	0	0	114.1	M27	M27-L29 PolarHBondContact O-N 3.23Å
30	C	30.9	Very low	32.3	Very low	108 Å²	108	114.4 Å²	114.4	73%	0.73	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-22.6	-174.2	-76.4	0	0	0	0	114.3	M27	M27-C30 PolarHBondContact O-N 3.49Å
31	T	40.5	Very low	32.3	Very low	76 Å²	76	112.3 Å²	112.3	47%	0.466	64%	0.641	S	S	.	*			trans	-110.2	-13.9	-168.5	54.3	0	0	0	0	115.5	M27 N33	M27-T31 PolarHBondContact O-OG1 3.45Å; T31-N33 VanDerWaalsContact O-CB 3.27Å; T31-N33 WeakPolarHBondContact O-CB 3.43Å; T31-N33 PolarHBondContact O-N 3.27Å
32	G	31.7	Very low	32.3	Very low	79 Å²	79	110.1 Å²	110.1	81%	0.814	63%	0.625	S	S	*	*			trans	51.4	15.2	167.1	0	0	0	0	0	116.8
33	N	34.1	Very low	32.4	Very low	109 Å²	109	110.3 Å²	110.3	58%	0.583	63%	0.633	S	S	*	*			trans	-147.1	106.7	-166.6	-143.9	-8.8	0	0	0	110.1	T31 L35 A36	T31-N33 VanDerWaalsContact O-CB 3.27Å; T31-N33 WeakPolarHBondContact O-CB 3.43Å; T31-N33 PolarHBondContact O-N 3.27Å; N33-L35 PolarHBondContact O-N 3.38Å; N33-A36 PolarHBondContact O-N 3.41Å
34	E	33.3	Very low	32.2	Very low	177 Å²	177	114.3 Å²	114.3	83%	0.827	64%	0.636	S	S	*	*	H	α-helix	trans	-56.1	-29.6	-176.8	-117.6	174.4	162.9	0	0	113.1	A36 L37	E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 3.38Å; E34-L37 PolarHBondContact O-N 3.08Å
35	L	35.1	Very low	32.6	Very low	128 Å²	128	119 Å²	119	67%	0.67	65%	0.65	S	S	*	*	H	α-helix	trans	-67.9	-27.4	-176.7	-109.5	141.2	0	0	0	113.8	N33 L37	N33-L35 PolarHBondContact O-N 3.38Å; L35-L37 VanDerWaalsContact C-N 3.33Å
36	A	36.7	Very low	32.9	Very low	48 Å²	48	121.3 Å²	121.3	40%	0.397	66%	0.657	S	S	.	*	H	α-helix	trans	-72.4	-28.7	177.6	0	0	0	0	0	112.2	N33 E34 L40	N33-A36 PolarHBondContact O-N 3.41Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 3.38Å; A36-L40 PolarHBondContact O-N 2.95Å
37	L	32.8	Very low	33.3	Very low	77 Å²	77	120.6 Å²	120.6	40%	0.403	66%	0.657	S	S	.	*	H	α-helix	trans	-73.3	-38.6	-177.1	-144	95.8	0	0	0	111.8	E34 L35 H39 L40 L41	E34-L37 PolarHBondContact O-N 3.08Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L37-H39 VanDerWaalsContact C-N 3.28Å; L37-H39 PolarHBondContact O-N 3.35Å; L37-L40 PolarHBondContact O-N 3.22Å; L37-L41 HydrophobicContact CD2-CD1 4.49Å; L37-L41 PolarHBondContact O-N 3.28Å
38	N	31.4	Very low	33.5	Very low	124 Å²	124	120.5 Å²	120.5	66%	0.663	66%	0.659	S	S	*	*	H	α-helix	trans	-67.2	-27.2	-179.8	-76.9	-16.1	0	0	0	113.1
39	H	34.5	Very low	33.5	Very low	155 Å²	155	121.6 Å²	121.6	72%	0.718	66%	0.662	S	S	*	*	H	α-helix	trans	-81	-23.6	174.9	-96.1	-58.8	0	0	0	113.8	L37 L41	L37-H39 VanDerWaalsContact C-N 3.28Å; L37-H39 PolarHBondContact O-N 3.35Å; H39-L41 VanDerWaalsContact C-N 3.34Å
40	L	33.4	Very low	33.6	Very low	118 Å²	118	120.5 Å²	120.5	62%	0.618	65%	0.652	S	S	*	*	H	α-helix	trans	-75.6	-22.6	175	-75.2	166.7	0	0	0	113	A36 L37	A36-L40 PolarHBondContact O-N 2.95Å; L37-L40 PolarHBondContact O-N 3.22Å
41	L	30.6	Very low	33.9	Very low	133 Å²	133	122.8 Å²	122.8	70%	0.696	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	2.4	-179.5	-69.5	167.6	0	0	0	113.9	L37 H39	L37-L41 HydrophobicContact CD2-CD1 4.49Å; L37-L41 PolarHBondContact O-N 3.28Å; H39-L41 VanDerWaalsContact C-N 3.34Å
42	S	29.7	Very low	33.4	Very low	60 Å²	60	126.2 Å²	126.2	42%	0.42	66%	0.659	S	S	.	*	S	Bend	trans	-86.4	122.3	178.1	178	0	0	0	0	111	Y44	S42-Y44 PolarHBondContact O-N 2.75Å
43	P	28.7	Very low	33.4	Very low	124 Å²	124	127.3 Å²	127.3	81%	0.805	65%	0.645	S	S	*	*			trans	-78.3	92.1	177.8	31.4	-30.5	0	0	0	109
44	Y	31.3	Very low	33.2	Very low	205 Å²	205	128.3 Å²	128.3	80%	0.804	65%	0.65	S	S	*	*			trans	-126.9	118.2	168.3	-104.8	-86.1	0	0	0	111	S42 N46	S42-Y44 PolarHBondContact O-N 2.75Å; Y44-N46 VanDerWaalsContact C-N 3.28Å; Y44-N46 PolarHBondContact O-N 2.94Å
45	E	37.4	Very low	33	Very low	194 Å²	194	125.4 Å²	125.4	91%	0.907	64%	0.64	S	S	*	*			trans	-70.4	52.9	-174.7	-78.2	-179.6	142.5	0	0	114.8
46	N	35.6	Very low	32.8	Very low	116 Å²	116	122.9 Å²	122.9	62%	0.62	63%	0.632	S	S	*	*			trans	-148.1	100.2	169.8	-108	-34.2	0	0	0	114.8	Y44 D48 K49	Y44-N46 VanDerWaalsContact C-N 3.28Å; Y44-N46 PolarHBondContact O-N 2.94Å; N46-D48 VanDerWaalsContact C-N 3.25Å; N46-D48 PolarHBondContact O-N 3.11Å; N46-K49 PolarHBondContact O-N 3.25Å
47	S	40.6	Very low	32.5	Very low	84 Å²	84	127.7 Å²	127.7	59%	0.587	65%	0.646	S	S	*	*	H	α-helix	trans	-53.2	-33	178.8	150	0	0	0	0	114.1	K49 Q50 K51	S47-K49 PolarHBondContact O-N 3.47Å; S47-Q50 PolarHBondContact O-N 3.37Å; S47-K51 PolarHBondContact O-N 3.47Å
48	D	34.7	Very low	32.4	Very low	123 Å²	123	130.9 Å²	130.9	66%	0.658	66%	0.663	S	S	*	*	H	α-helix	trans	-74.5	-27.9	-173.1	-65.4	-24.5	0	0	0	113.2	N46 K51 F52	N46-D48 VanDerWaalsContact C-N 3.25Å; N46-D48 PolarHBondContact O-N 3.11Å; D48-K51 PolarHBondContact O-N 3.44Å; D48-F52 PolarHBondContact O-N 3.49Å
49	K	31.3	Very low	32.4	Very low	160 Å²	160	131.3 Å²	131.3	70%	0.696	67%	0.665	S	S	*	*	H	α-helix	trans	-70.3	-34.7	172.7	-83.4	-175.4	175.7	-179.9	0	112.4	N46 S47 K51 F52 I53	N46-K49 PolarHBondContact O-N 3.25Å; S47-K49 PolarHBondContact O-N 3.47Å; K49-K51 VanDerWaalsContact C-N 3.27Å; K49-K51 PolarHBondContact O-N 3.39Å; K49-F52 PolarHBondContact O-N 3.44Å; K49-I53 VanDerWaalsContact O-CG1 3.29Å; K49-I53 WeakPolarHBondContact O-CG1 3.11Å; K49-I53 PolarHBondContact O-N 3.2Å; K49-I53 VanDerWaalsContact O-N 3.11Å
50	Q	31.8	Very low	32.4	Very low	132 Å²	132	131.3 Å²	131.3	62%	0.617	67%	0.67	S	S	*	*	H	α-helix	trans	-62.8	-36.8	177.3	-79.4	179.6	-26.4	0	0	111.8	S47 L54	S47-Q50 PolarHBondContact O-N 3.37Å; Q50-L54 PolarHBondContact O-N 3.34Å
51	K	36	Very low	32.2	Very low	157 Å²	157	132.6 Å²	132.6	68%	0.683	68%	0.678	S	S	*	*	H	α-helix	trans	-71.7	-39.3	-179.6	-150	173.8	-175	-179	0	112.4	S47 D48 K49 L54 D55	S47-K51 PolarHBondContact O-N 3.47Å; D48-K51 PolarHBondContact O-N 3.44Å; K49-K51 VanDerWaalsContact C-N 3.27Å; K49-K51 PolarHBondContact O-N 3.39Å; K51-L54 PolarHBondContact O-N 3.38Å; K51-D55 PolarHBondContact O-N 3.42Å
52	F	31.2	Very low	32.4	Very low	148 Å²	148	131.8 Å²	131.8	65%	0.649	68%	0.678	S	S	*	*	H	α-helix	trans	-70	-37	178.6	-159.6	-94.7	0	0	0	112.6	D48 K49 L54 D55 C56	D48-F52 PolarHBondContact O-N 3.49Å; K49-F52 PolarHBondContact O-N 3.44Å; F52-L54 VanDerWaalsContact C-N 3.31Å; F52-L54 PolarHBondContact O-N 3.27Å; F52-D55 PolarHBondContact O-N 3.47Å; F52-C56 PolarHBondContact O-N 3.36Å
53	I	31.4	Very low	32.5	Very low	101 Å²	101	138 Å²	138	52%	0.518	70%	0.698	S	S	.	*	H	α-helix	trans	-69.1	-32.2	177.8	-66	168.6	0	0	0	111.5	K49 C56 H57	K49-I53 VanDerWaalsContact O-CG1 3.29Å; K49-I53 WeakPolarHBondContact O-CG1 3.11Å; K49-I53 PolarHBondContact O-N 3.2Å; K49-I53 VanDerWaalsContact O-N 3.11Å; I53-C56 PolarHBondContact O-N 2.86Å; I53-H57 PolarHBondContact O-ND1 3.49Å
54	L	30.1	Very low	32.5	Very low	131 Å²	131	139.3 Å²	139.3	69%	0.686	70%	0.698	S	S	*	*	H	α-helix	trans	-65.6	-37.8	176.3	-155.1	79.8	0	0	0	112	Q50 K51 F52	Q50-L54 PolarHBondContact O-N 3.34Å; K51-L54 PolarHBondContact O-N 3.38Å; F52-L54 VanDerWaalsContact C-N 3.31Å; F52-L54 PolarHBondContact O-N 3.27Å
55	D	29	Very low	32.3	Very low	116 Å²	116	135.6 Å²	135.6	62%	0.62	69%	0.69	S	S	*	*	H	α-helix	trans	-75.1	-30.3	179	-77.9	-18.6	0	0	0	112.6	K51 F52 H57	K51-D55 PolarHBondContact O-N 3.42Å; F52-D55 PolarHBondContact O-N 3.47Å; D55-H57 PolarHBondContact O-N 3.31Å
56	C	30.2	Very low	31.9	Very low	75 Å²	75	135.2 Å²	135.2	51%	0.507	69%	0.685	S	S	.	*	H	α-helix	trans	-78.2	-15	-178.9	-73.2	0	0	0	0	115.2	F52 I53	F52-C56 PolarHBondContact O-N 3.36Å; I53-C56 PolarHBondContact O-N 2.86Å
57	H	30.2	Very low	31.7	Very low	149 Å²	149	134.2 Å²	134.2	69%	0.69	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	0.1	-177.6	-86.7	74.9	0	0	0	115	I53 D55	I53-H57 PolarHBondContact O-ND1 3.49Å; D55-H57 PolarHBondContact O-N 3.31Å
58	L	32	Very low	31.2	Very low	144 Å²	144	136.6 Å²	136.6	75%	0.754	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-11	177.3	-83	161.3	0	0	0	114.2
59	N	30.4	Very low	30.9	Very low	132 Å²	132	136.7 Å²	136.7	71%	0.706	69%	0.689	S	S	*	*	S	Bend	trans	-110	118.8	176.8	-76.2	-17	0	0	0	110.8	D61	N59-D61 PolarHBondContact O-N 3.21Å
60	N	35.1	Very low	30.8	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	69%	0.687	S	S	*	*			trans	-73.7	25.4	-165.6	-114.6	-3.2	0	0	0	115.8	T62	N60-T62 PolarHBondContact O-N 3.34Å
61	D	29.4	Very low	30.5	Very low	145 Å²	145	133.6 Å²	133.6	78%	0.775	69%	0.691	S	S	*	*			trans	-105.1	60.8	-174.1	-66.9	-29.1	0	0	0	111.7	N59 F63	N59-D61 PolarHBondContact O-N 3.21Å; D61-F63 PolarHBondContact O-N 2.76Å
62	T	33.7	Very low	30	Very low	116 Å²	116	132.6 Å²	132.6	71%	0.712	69%	0.692	S	S	*	*			trans	-86.7	7.7	-175.1	13.6	0	0	0	0	115.6	N60	N60-T62 PolarHBondContact O-N 3.34Å
63	F	32.4	Very low	29.8	Very low	189 Å²	189	131 Å²	131	83%	0.829	70%	0.697	S	S	*	*	S	Bend	trans	-102.1	-26.5	-176.2	-143.5	-97.5	0	0	0	115.9	D61	D61-F63 PolarHBondContact O-N 2.76Å
64	N	28.9	Very low	29.4	Very low	152 Å²	152	133 Å²	133	81%	0.813	71%	0.714	S	S	*	*	S	Bend	trans	-101.1	5.2	-172.1	-82.1	-1.5	0	0	0	116.5
65	M	27.3	Very low	29.2	Very low	128 Å²	128	138.1 Å²	138.1	63%	0.631	72%	0.724	S	S	*	*	S	Bend	trans	-109.9	-2	-177.4	-133.1	174.8	-173.4	0	0	115.1	S67	M65-S67 PolarHBondContact O-N 3.2Å
66	K	29.2	Very low	29.1	Very low	186 Å²	186	138.5 Å²	138.5	81%	0.809	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-19.3	176.3	-86.3	-175.9	175.6	179.7	0	113.7
67	S	31.2	Very low	28.9	Very low	95 Å²	95	137.2 Å²	137.2	66%	0.664	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-16.4	-178.1	122.4	0	0	0	0	114.3	M65	M65-S67 PolarHBondContact O-N 3.2Å
68	E	28.8	Very low	28.6	Very low	134 Å²	134	139.7 Å²	139.7	63%	0.626	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-8.3	179.6	-76.9	-175.2	159.3	0	0	113.4
69	I	29.2	Very low	28.4	Very low	125 Å²	125	140.3 Å²	140.3	64%	0.641	75%	0.748	S	S	*	*	S	Bend	trans	-81.1	-18.4	-178.3	-62.2	172.3	0	0	0	112.1	D71	I69-D71 VanDerWaalsContact C-N 3.35Å
70	S	29.3	Very low	28.1	Very low	95 Å²	95	140.2 Å²	140.2	66%	0.664	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-19	179.2	58.7	0	0	0	0	114.6
71	D	25.9	Very low	27.9	Very low	131 Å²	131	138.6 Å²	138.6	70%	0.701	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	13.8	-167.9	-70.7	5.4	0	0	0	113.7	I69 P73	I69-D71 VanDerWaalsContact C-N 3.35Å; D71-P73 WeakPolarHBondContact O-CD 3.43Å
72	L	24.6	Very low	27.9	Very low	136 Å²	136	138 Å²	138	71%	0.712	74%	0.739	S	S	*	*			trans	-92.2	104.3	175.6	-80.7	157.3	0	0	0	110.5	T74	L72-T74 PolarHBondContact O-N 3.22Å
73	P	26.8	Very low	27.7	Very low	114 Å²	114	138.2 Å²	138.2	74%	0.74	74%	0.736	S	S	*	*			trans	-62.3	127.7	178.4	23.1	-31.6	0	0	0	110.4	D71 R75	D71-P73 WeakPolarHBondContact O-CD 3.43Å; P73-R75 PolarHBondContact O-N 3.23Å
74	T	24.8	Very low	27.7	Very low	144 Å²	144	136.6 Å²	136.6	88%	0.883	74%	0.736	S	S	*	*			trans	-61.1	78	172.5	42.6	0	0	0	0	110.7	L72 S76	L72-T74 PolarHBondContact O-N 3.22Å; T74-S76 PolarHBondContact O-N 3.47Å
75	R	25.9	Very low	27.9	Very low	239 Å²	239	135.3 Å²	135.3	90%	0.902	73%	0.73	S	S	*	*			trans	-83.8	95.2	169.8	-145.6	175.9	-170.8	-175.7	1.9	107.5	P73 G77	P73-R75 PolarHBondContact O-N 3.23Å; R75-G77 PolarHBondContact O-N 3.4Å
76	S	25.6	Very low	28.5	Very low	123 Å²	123	135.9 Å²	135.9	86%	0.86	74%	0.735	S	S	*	*			trans	-68.1	57.9	164.5	67.7	0	0	0	0	110.1	T74	T74-S76 PolarHBondContact O-N 3.47Å
77	G	26.1	Very low	29.2	Very low	49 Å²	49	128.7 Å²	128.7	51%	0.505	71%	0.714	S	S	.	*			trans	-80.3	117.9	163.9	0	0	0	0	0	106.3	R75 L79	R75-G77 PolarHBondContact O-N 3.4Å; G77-L79 VanDerWaalsContact C-N 3.26Å; G77-L79 PolarHBondContact O-N 3.38Å
78	K	24.6	Very low	30.2	Very low	200 Å²	200	128.9 Å²	128.9	87%	0.87	71%	0.707	S	S	*	*			trans	-48.5	100.3	161.2	-75.8	173	175.5	174.7	0	106.5	N80	K78-N80 VanDerWaalsContact C-N 3.26Å; K78-N80 PolarHBondContact O-N 3.33Å
79	L	27.5	Very low	31.8	Very low	158 Å²	158	130.5 Å²	130.5	83%	0.827	71%	0.714	S	S	*	*			trans	-57.2	107.3	158.8	-97.7	123.8	0	0	0	103.2	G77 V81	G77-L79 VanDerWaalsContact C-N 3.26Å; G77-L79 PolarHBondContact O-N 3.38Å; L79-V81 PolarHBondContact O-N 3.48Å
80	N	24.3	Very low	34.3	Very low	129 Å²	129	126.4 Å²	126.4	69%	0.69	69%	0.691	S	S	*	*			trans	-51.6	101.1	154.7	-76.7	-24.3	0	0	0	103.7	K78 D82	K78-N80 VanDerWaalsContact C-N 3.26Å; K78-N80 PolarHBondContact O-N 3.33Å; N80-D82 PolarHBondContact O-N 3.21Å
81	V	30.4	Very low	36.9	Very low	122 Å²	122	124.8 Å²	124.8	74%	0.739	67%	0.673	S	S	*	*			trans	-61.9	82.7	157.2	178.6	0	0	0	0	102.2	L79 N83	L79-V81 PolarHBondContact O-N 3.48Å; V81-N83 PolarHBondContact O-N 2.74Å
82	D	29.9	Very low	39.9	Very low	132 Å²	132	122.4 Å²	122.4	71%	0.706	66%	0.657	S	S	*	*			trans	-47.5	118.3	161.7	-79.6	-25.4	0	0	0	103.8	N80 D84	N80-D82 PolarHBondContact O-N 3.21Å; D82-D84 VanDerWaalsContact C-N 3.28Å; D82-D84 PolarHBondContact O-N 3.4Å
83	N	28.2	Very low	43.1	Very low	122 Å²	122	116.6 Å²	116.6	65%	0.652	63%	0.626	S	S	*	*			trans	-46.2	92.6	-178.5	-82.6	-53.5	0	0	0	110.3	V81 N85 D86	V81-N83 PolarHBondContact O-N 2.74Å; N83-N85 HydrophobicContact CB-CB 4.19Å; N83-N85 PolarHBondContact O-N 3.41Å; N83-N85 PolarHBondContact OD1-ND2 3.11Å; N83-D86 PolarHBondContact O-N 3.47Å
84	D	33.8	Very low	45.8	Very low	155 Å²	155	115.3 Å²	115.3	83%	0.829	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	16.5	157	-87.3	-19.8	0	0	0	110.7	D82 D86	D82-D84 VanDerWaalsContact C-N 3.28Å; D82-D84 PolarHBondContact O-N 3.4Å; D84-D86 PolarHBondContact O-N 3.4Å
85	N	32.3	Very low	48.7	Very low	125 Å²	125	113.4 Å²	113.4	67%	0.668	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	5.6	158.4	-77.1	-26.9	0	0	0	113.1	N83 G87	N83-N85 HydrophobicContact CB-CB 4.19Å; N83-N85 PolarHBondContact O-N 3.41Å; N83-N85 PolarHBondContact OD1-ND2 3.11Å; N85-G87 PolarHBondContact O-N 3.3Å
86	D	39.2	Very low	51.7	Low	139 Å²	139	107 Å²	107	74%	0.743	58%	0.578	S	S	*	*			trans	-72.8	38	158.9	-119.6	14.7	0	0	0	110.8	N83 D84	N83-D86 PolarHBondContact O-N 3.47Å; D84-D86 PolarHBondContact O-N 3.4Å
87	G	44.4	Very low	55	Low	35 Å²	35	104.2 Å²	104.2	36%	0.361	56%	0.558	S	S	.	*			trans	-51.3	139.2	176.4	0	0	0	0	0	109	N85 H89	N85-G87 PolarHBondContact O-N 3.3Å; G87-H89 PolarHBondContact O-CD2 3.04Å; G87-H89 PolarHBondContact O-N 3.16Å
88	D	52.1	Low	58.2	Low	100 Å²	100	102.1 Å²	102.1	54%	0.535	54%	0.535	S	S	.	.			trans	-60.2	74.6	-178.1	-165.4	27.1	0	0	0	111	R90	D88-R90 PolarHBondContact O-N 3.41Å
89	H	63.7	Low	61.6	Low	167 Å²	167	92.7 Å²	92.7	77%	0.773	49%	0.494	S	S	*	.			trans	-78.7	49.4	-179.1	-71	-66.5	0	0	0	109.8	G87 E91	G87-H89 PolarHBondContact O-CD2 3.04Å; G87-H89 PolarHBondContact O-N 3.16Å; H89-E91 PolarHBondContact O-N 3.01Å
90	R	80.4	Confident	65	Low	40 Å²	40	87.2 Å²	87.2	15%	0.151	46%	0.464	C	S	.	.			trans	-58.5	132.6	160.5	179.1	-175.9	-61.6	-79.4	-7	107.1	D88 R155 T371 Y372 D473	D88-R90 PolarHBondContact O-N 3.41Å; R90-R155 PolarHBondContact NE-O 2.72Å; R90-R155 PolarHBondContact NH2-O 2.95Å; R90-R155 PolarHBondContact O-NH2 3.14Å; R90-T371 VanDerWaalsContact CD-O 3.25Å; R90-T371 WeakPolarHBondContact CD-O 3.47Å; R90-Y372 HydrophobicContact CG-CD1 3.9Å; R90-Y372 HydrophobicContact CG-CE1 3.98Å; R90-D473 IonicContact CZ-OD1 2.78Å; R90-D473 IonicContact CZ-OD2 3.68Å; R90-D473 IonicContact NH1-OD1 2.88Å; R90-D473 PolarHBondContact NH1-OD1 3.25Å; R90-D473 VanDerWaalsContact NH1-OD1 3.17Å; R90-D473 IonicContact NH2-OD1 3.11Å; R90-D473 PolarHBondContact NH2-OD1 3.43Å; R90-D473 IonicContact NH2-OD2 2.83Å; R90-D473 PolarHBondContact NH2-OD2 2.94Å
91	E	83.4	Confident	68.4	Low	61 Å²	61	81.7 Å²	81.7	29%	0.285	43%	0.434	S	S	.	.			trans	-52.5	151	177.1	-55.5	-170.3	127.9	0	0	111.1	H89 R155 V296 K297 Y372	H89-E91 PolarHBondContact O-N 3.01Å; E91-R155 PolarHBondContact O-NH2 3.46Å; E91-R155 VanDerWaalsContact O-NH2 3.09Å; E91-V296 HydrophobicContact CB-CG2 4.42Å; E91-K297 IonicContact OE1-NZ 3.92Å; E91-K297 PolarHBondContact OE1-NZ 3.5Å; E91-Y372 HydrophobicContact CB-CD1 4.43Å; E91-Y372 VanDerWaalsContact O-CD1 3.32Å; E91-Y372 WeakPolarHBondContact O-CD1 3.4Å
92	E	90.5	Very high	71.6	Confident	80 Å²	80	76 Å²	76	37%	0.374	40%	0.399	S	S	.	.			trans	-119.1	155.7	175.1	-68.2	-177.9	174.8	0	0	109.9	R155 Y372	E92-R155 IonicContact OE1-CZ 3.82Å; E92-R155 IonicContact OE1-NH1 2.62Å; E92-R155 IonicContact OE1-NH2 2.68Å; E92-Y372 CarbonylContact C-O 3.6Å; E92-Y372 WeakPolarHBondContact CA-O 3.39Å
93	W	90.5	Very high	74.9	Confident	15 Å²	15	69.8 Å²	69.8	6%	0.057	37%	0.366	C	S	.	.			trans	-57.4	140.2	168.9	-62.8	105	0	0	0	110.2	N95 D98 F99 S102 V296 Y369 Y372 N373	W93-N95 VanDerWaalsContact C-N 3.34Å; W93-D98 HydrophobicContact CB-CB 4.41Å; W93-D98 HydrophobicContact CD2-CB 4.33Å; W93-D98 HydrophobicContact CE3-CB 3.57Å; W93-D98 HydrophobicContact CZ3-CB 4.21Å; W93-F99 HydrophobicContact CD2-CB 4.09Å; W93-F99 HydrophobicContact CG-CB 3.91Å; W93-F99 HydrophobicContact CZ2-CD2 4.41Å; W93-F99 AromaticContact NE1-CD2 3.49Å; W93-S102 WeakPolarHBondContact CH2-OG 3.31Å; W93-S102 WeakPolarHBondContact CZ3-OG 3.48Å; W93-V296 HydrophobicContact CD2-CB 4.08Å; W93-V296 HydrophobicContact CD2-CG1 4.37Å; W93-V296 HydrophobicContact CE3-CB 3.67Å; W93-V296 HydrophobicContact CE3-CG1 4.24Å; W93-V296 HydrophobicContact CE3-CG2 4.46Å; W93-V296 HydrophobicContact CH2-CB 3.76Å; W93-V296 HydrophobicContact CH2-CG1 3.48Å; W93-V296 VanDerWaalsContact CH2-CG1 3.48Å; W93-V296 HydrophobicContact CZ2-CB 4.13Å; W93-V296 HydrophobicContact CZ2-CG1 3.6Å; W93-V296 HydrophobicContact CZ3-CB 3.51Å; W93-V296 HydrophobicContact CZ3-CG1 3.82Å; W93-Y369 AromaticContact CH2-CD1 3.94Å; W93-Y369 HydrophobicContact CH2-CD1 3.94Å; W93-Y369 HydrophobicContact CH2-CE1 4.17Å; W93-Y369 AromaticContact CZ2-CD1 3.67Å; W93-Y369 HydrophobicContact CZ2-CD1 3.67Å; W93-Y369 HydrophobicContact CZ2-CE1 4.37Å; W93-Y369 HydrophobicContact CZ2-CG 4.12Å; W93-Y369 PolarHBondContact NE1-O 2.82Å; W93-Y372 VanDerWaalsContact CD1-C 3.41Å; W93-Y372 PolarHBondContact N-O 2.89Å; W93-N373 PolarHBondContact NE1-OD1 2.9Å
94	N	83.8	Confident	78.2	Confident	86 Å²	86	64.4 Å²	64.4	46%	0.46	34%	0.338	S	S	.	.	S	Bend	trans	-68.9	-40	-179.2	-57	-60.1	0	0	0	110.6	D98	N94-D98 WeakPolarHBondContact CB-OD2 3.46Å; N94-D98 PolarHBondContact N-OD2 3.23Å
95	N	87.2	Confident	81.1	Confident	104 Å²	104	57.1 Å²	57.1	56%	0.556	30%	0.299	S	S	*	.	S	Bend	trans	-137.7	162.6	-177	-65.3	-36.7	0	0	0	111.7	W93 C97 D98	W93-N95 VanDerWaalsContact C-N 3.34Å; N95-C97 VanDerWaalsContact C-N 3.29Å; N95-C97 PolarHBondContact O-N 3.13Å; N95-D98 PolarHBondContact N-OD2 3.42Å; N95-D98 WeakPolarHBondContact O-CB 3.1Å; N95-D98 PolarHBondContact O-N 3.33Å
96	Q	88.5	Confident	84.2	Confident	104 Å²	104	51.9 Å²	51.9	49%	0.486	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-35.6	177.5	-53.1	-163.1	-15.1	0	0	113.1	D98 F99 F100 Y377	Q96-D98 VanDerWaalsContact C-N 3.3Å; Q96-D98 PolarHBondContact O-N 2.89Å; Q96-F99 PolarHBondContact O-N 2.99Å; Q96-F100 PolarHBondContact O-N 3.49Å; Q96-F100 VanDerWaalsContact O-N 3.12Å; Q96-Y377 WeakPolarHBondContact CA-OH 3.5Å; Q96-Y377 HydrophobicContact CB-CE2 3.77Å; Q96-Y377 WeakPolarHBondContact CB-OH 3.33Å; Q96-Y377 HydrophobicContact CG-CE2 3.71Å; Q96-Y377 PolarHBondContact O-OH 3.17Å
97	C	93.6	Very high	87	Confident	66 Å²	66	45.3 Å²	45.3	45%	0.446	24%	0.235	S	C	.	.	H	α-helix	trans	-64.9	-33.7	178.8	-67	0	0	0	0	112.5	N95 F99 F100 L101 Y304	N95-C97 VanDerWaalsContact C-N 3.29Å; N95-C97 PolarHBondContact O-N 3.13Å; C97-F99 VanDerWaalsContact C-N 3.34Å; C97-F99 PolarHBondContact O-N 3.45Å; C97-F100 PolarHBondContact O-N 3.45Å; C97-L101 VanDerWaalsContact O-CB 3.27Å; C97-L101 WeakPolarHBondContact O-CB 3.44Å; C97-L101 VanDerWaalsContact O-CG 3.28Å; C97-L101 WeakPolarHBondContact O-CG 3.29Å; C97-L101 PolarHBondContact O-N 3.06Å; C97-Y304 HydrophobicContact CB-CE1 4.46Å; C97-Y304 WeakPolarHBondContact CB-OH 3.4Å
98	D	94.7	Very high	89.4	Confident	5 Å²	5	44 Å²	44	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-48.2	179.3	-58	2.5	0	0	0	110.4	W93 N94 N95 Q96 S102 Y304	W93-D98 HydrophobicContact CB-CB 4.41Å; W93-D98 HydrophobicContact CD2-CB 4.33Å; W93-D98 HydrophobicContact CE3-CB 3.57Å; W93-D98 HydrophobicContact CZ3-CB 4.21Å; N94-D98 WeakPolarHBondContact CB-OD2 3.46Å; N94-D98 PolarHBondContact N-OD2 3.23Å; N95-D98 PolarHBondContact N-OD2 3.42Å; N95-D98 WeakPolarHBondContact O-CB 3.1Å; N95-D98 PolarHBondContact O-N 3.33Å; Q96-D98 VanDerWaalsContact C-N 3.3Å; Q96-D98 PolarHBondContact O-N 2.89Å; D98-S102 VanDerWaalsContact O-CB 3.29Å; D98-S102 WeakPolarHBondContact O-CB 3.36Å; D98-S102 PolarHBondContact O-N 2.81Å; D98-S102 PolarHBondContact O-OG 3.38Å; D98-Y304 WeakPolarHBondContact OD1-CE2 3.46Å; D98-Y304 PolarHBondContact OD1-OH 3.38Å
99	F	96.3	Very high	91.4	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-51.7	176.7	170.5	-100.3	0	0	0	111.6	W93 Q96 C97 L101 S102 V103 L148 N373 Y377 D382	W93-F99 HydrophobicContact CD2-CB 4.09Å; W93-F99 HydrophobicContact CG-CB 3.91Å; W93-F99 HydrophobicContact CZ2-CD2 4.41Å; W93-F99 AromaticContact NE1-CD2 3.49Å; Q96-F99 PolarHBondContact O-N 2.99Å; C97-F99 VanDerWaalsContact C-N 3.34Å; C97-F99 PolarHBondContact O-N 3.45Å; F99-L101 PolarHBondContact O-N 2.97Å; F99-S102 PolarHBondContact O-N 2.84Å; F99-S102 VanDerWaalsContact O-N 3.17Å; F99-V103 HydrophobicContact CD2-CG2 4Å; F99-V103 HydrophobicContact CE1-CG2 4.26Å; F99-V103 HydrophobicContact CE2-CG2 3.58Å; F99-V103 HydrophobicContact CZ-CG2 3.73Å; F99-V103 WeakPolarHBondContact O-CG2 3.36Å; F99-V103 PolarHBondContact O-N 3.5Å; F99-L148 HydrophobicContact CE2-CD2 4.17Å; F99-L148 HydrophobicContact CZ-CD1 4.44Å; F99-L148 HydrophobicContact CZ-CD2 3.7Å; F99-N373 WeakPolarHBondContact CD2-OD1 3.33Å; F99-N373 VanDerWaalsContact CE2-ND2 3.3Å; F99-N373 WeakPolarHBondContact CE2-ND2 3.18Å; F99-N373 VanDerWaalsContact CG-OD1 3.25Å; F99-N373 WeakPolarHBondContact CG-OD1 3.39Å; F99-N373 VanDerWaalsContact CZ-ND2 3.34Å; F99-N373 WeakPolarHBondContact CZ-ND2 3.34Å; F99-Y377 HydrophobicContact CD1-CD1 4.2Å; F99-Y377 AromaticContact CD1-CE1 3.31Å; F99-Y377 HydrophobicContact CD1-CE1 3.31Å; F99-Y377 AromaticContact CD1-CZ 3.61Å; F99-Y377 HydrophobicContact CE1-CD1 4.26Å; F99-Y377 AromaticContact CE1-CE1 3.59Å; F99-Y377 HydrophobicContact CE1-CE1 3.59Å; F99-Y377 HydrophobicContact CG-CE1 4.19Å; F99-D382 HydrophobicContact CD1-CB 4.5Å; F99-D382 WeakPolarHBondContact CD1-OD2 2.94Å; F99-D382 HydrophobicContact CE1-CB 3.99Å
100	F	97.3	Very high	92.8	Very high	44 Å²	44	32.2 Å²	32.2	19%	0.193	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-47.3	-177.2	171	-109.6	0	0	0	111.9	Q96 C97 V103 L104 D382 I385 T386	Q96-F100 PolarHBondContact O-N 3.49Å; Q96-F100 VanDerWaalsContact O-N 3.12Å; C97-F100 PolarHBondContact O-N 3.45Å; F100-V103 PolarHBondContact O-N 3.18Å; F100-L104 HydrophobicContact CE1-CD2 4.12Å; F100-L104 HydrophobicContact CZ-CD2 4.05Å; F100-L104 VanDerWaalsContact O-CB 3.26Å; F100-L104 WeakPolarHBondContact O-CB 3.4Å; F100-L104 PolarHBondContact O-N 3.38Å; F100-D382 HydrophobicContact CD2-CB 3.96Å; F100-I385 HydrophobicContact CE2-CB 4Å; F100-I385 HydrophobicContact CE2-CG2 3.64Å; F100-I385 HydrophobicContact CZ-CB 4.45Å; F100-I385 HydrophobicContact CZ-CG2 3.59Å; F100-T386 WeakPolarHBondContact CE2-OG1 3.42Å
101	L	97.4	Very high	93.3	Very high	13 Å²	13	30.6 Å²	30.6	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-67.2	-35.8	178.2	-68	176.6	0	0	0	112.1	C97 F99 L104 G105 V303 Y304 L308	C97-L101 VanDerWaalsContact O-CB 3.27Å; C97-L101 WeakPolarHBondContact O-CB 3.44Å; C97-L101 VanDerWaalsContact O-CG 3.28Å; C97-L101 WeakPolarHBondContact O-CG 3.29Å; C97-L101 PolarHBondContact O-N 3.06Å; F99-L101 PolarHBondContact O-N 2.97Å; L101-L104 PolarHBondContact O-N 2.84Å; L101-G105 PolarHBondContact O-N 3.3Å; L101-V303 HydrophobicContact CB-CB 4.42Å; L101-V303 HydrophobicContact CB-CG2 4.01Å; L101-Y304 HydrophobicContact CD1-CD1 3.62Å; L101-Y304 HydrophobicContact CD1-CD2 4.17Å; L101-Y304 HydrophobicContact CD1-CE1 3.65Å; L101-Y304 HydrophobicContact CD1-CE2 4.18Å; L101-Y304 HydrophobicContact CD1-CG 3.91Å; L101-L308 HydrophobicContact CD2-CD2 3.77Å; L101-L308 HydrophobicContact CD2-CG 4.35Å
102	S	97.5	Very high	93.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-41.7	176.5	-61.8	0	0	0	0	112.1	W93 D98 F99 Y106 Y369	W93-S102 WeakPolarHBondContact CH2-OG 3.31Å; W93-S102 WeakPolarHBondContact CZ3-OG 3.48Å; D98-S102 VanDerWaalsContact O-CB 3.29Å; D98-S102 WeakPolarHBondContact O-CB 3.36Å; D98-S102 PolarHBondContact O-N 2.81Å; D98-S102 PolarHBondContact O-OG 3.38Å; F99-S102 PolarHBondContact O-N 2.84Å; F99-S102 VanDerWaalsContact O-N 3.17Å; S102-Y106 WeakPolarHBondContact O-CB 3.08Å; S102-Y106 PolarHBondContact O-N 2.94Å; S102-Y106 VanDerWaalsContact O-N 3.09Å; S102-Y369 WeakPolarHBondContact O-CE2 3.27Å
103	V	97.5	Very high	94	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	13%	0.129	C	C	.	.	H	α-helix	trans	-75.1	-35.3	177.9	-175.3	0	0	0	0	111.4	F99 F100 Y106 A107 F144 Y369 T386	F99-V103 HydrophobicContact CD2-CG2 4Å; F99-V103 HydrophobicContact CE1-CG2 4.26Å; F99-V103 HydrophobicContact CE2-CG2 3.58Å; F99-V103 HydrophobicContact CZ-CG2 3.73Å; F99-V103 WeakPolarHBondContact O-CG2 3.36Å; F99-V103 PolarHBondContact O-N 3.5Å; F100-V103 PolarHBondContact O-N 3.18Å; V103-Y106 PolarHBondContact O-N 2.95Å; V103-A107 PolarHBondContact O-N 3.45Å; V103-A107 VanDerWaalsContact O-N 3.13Å; V103-F144 HydrophobicContact CG1-CE1 4.34Å; V103-F144 HydrophobicContact CG1-CE2 3.49Å; V103-F144 VanDerWaalsContact CG1-CE2 3.49Å; V103-F144 HydrophobicContact CG1-CZ 3.23Å; V103-Y369 HydrophobicContact CG2-CD2 3.92Å; V103-T386 HydrophobicContact CG1-CG2 4.23Å
104	L	97.3	Very high	93.8	Very high	10 Å²	10	24.4 Å²	24.4	5%	0.052	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-47.3	173.9	179.5	61.4	0	0	0	112.2	F100 L101 Y106 A107 V108 T386 V389	F100-L104 HydrophobicContact CE1-CD2 4.12Å; F100-L104 HydrophobicContact CZ-CD2 4.05Å; F100-L104 VanDerWaalsContact O-CB 3.26Å; F100-L104 WeakPolarHBondContact O-CB 3.4Å; F100-L104 PolarHBondContact O-N 3.38Å; L101-L104 PolarHBondContact O-N 2.84Å; L104-Y106 VanDerWaalsContact C-N 3.28Å; L104-Y106 PolarHBondContact O-N 2.85Å; L104-A107 PolarHBondContact O-N 3.37Å; L104-V108 HydrophobicContact CD1-CG2 4.07Å; L104-V108 PolarHBondContact O-N 3.06Å; L104-T386 HydrophobicContact CB-CG2 4.44Å; L104-T386 HydrophobicContact CD1-CG2 4.17Å; L104-V389 HydrophobicContact CD1-CB 3.89Å; L104-V389 HydrophobicContact CD1-CG1 3.62Å; L104-V389 HydrophobicContact CD2-CG1 4.37Å
105	G	96.7	Very high	94.2	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-33.9	176.6	0	0	0	0	0	112.2	L101 D458	L101-G105 PolarHBondContact O-N 3.3Å; G105-D458 VanDerWaalsContact C-CB 3.5Å; G105-D458 WeakPolarHBondContact O-CB 3.46Å
106	Y	97	Very high	94.6	Very high	14 Å²	14	19.3 Å²	19.3	6%	0.055	10%	0.096	C	C	.	.	H	α-helix	trans	-67.8	-37.5	174.4	-178.5	-111	0	0	0	113.3	S102 V103 L104 F363 A365 H366	S102-Y106 WeakPolarHBondContact O-CB 3.08Å; S102-Y106 PolarHBondContact O-N 2.94Å; S102-Y106 VanDerWaalsContact O-N 3.09Å; V103-Y106 PolarHBondContact O-N 2.95Å; L104-Y106 VanDerWaalsContact C-N 3.28Å; L104-Y106 PolarHBondContact O-N 2.85Å; Y106-F363 WeakPolarHBondContact OH-CB 3.32Å; Y106-F363 WeakPolarHBondContact OH-CD2 3.45Å; Y106-F363 WeakPolarHBondContact OH-CG 3.44Å; Y106-A365 HydrophobicContact CD1-CB 4.02Å; Y106-A365 HydrophobicContact CD2-CB 4.37Å; Y106-A365 HydrophobicContact CE1-CB 3.46Å; Y106-A365 VanDerWaalsContact CE1-CB 3.46Å; Y106-A365 HydrophobicContact CE2-CB 3.9Å; Y106-A365 HydrophobicContact CG-CB 4.43Å; Y106-A365 VanDerWaalsContact CZ-CB 3.42Å; Y106-H366 AromaticContact CD1-NE2 3.66Å; Y106-H366 AromaticContact CE1-NE2 3.91Å
107	A	96.7	Very high	94.9	Very high	2 Å²	2	14.4 Å²	14.4	2%	0.017	7%	0.073	C	C	.	.	H	α-helix	trans	-78	-27.5	178.8	0	0	0	0	0	113.3	V103 L104 N112 S358 T386 N390	V103-A107 PolarHBondContact O-N 3.45Å; V103-A107 VanDerWaalsContact O-N 3.13Å; L104-A107 PolarHBondContact O-N 3.37Å; A107-N112 PolarHBondContact O-OD1 3.24Å; A107-S358 CarbonylContact C-O 3.6Å; A107-S358 WeakPolarHBondContact CA-O 3.29Å; A107-T386 HydrophobicContact CB-CG2 3.85Å; A107-N390 HydrophobicContact CB-CB 4.21Å; A107-N390 PolarHBondContact O-OD1 2.93Å
108	V	95.8	Very high	94.9	Very high	7 Å²	7	14.5 Å²	14.5	4%	0.042	7%	0.065	C	C	.	.	S	Bend	trans	-95.4	98.9	176.8	176	0	0	0	0	108.9	L104 N112 T393 L455	L104-V108 HydrophobicContact CD1-CG2 4.07Å; L104-V108 PolarHBondContact O-N 3.06Å; V108-N112 WeakPolarHBondContact CA-OD1 3.35Å; V108-T393 HydrophobicContact CG1-CG2 3.58Å; V108-T393 HydrophobicContact CG2-CG2 4.13Å; V108-L455 HydrophobicContact CG1-CD2 3.72Å; V108-L455 WeakPolarHBondContact O-CD2 3.31Å
109	D	93	Very high	94.8	Very high	17 Å²	17	15 Å²	15	9%	0.091	7%	0.068	C	C	.	.			trans	-125.2	-173.4	-171.5	83.7	-21.4	0	0	0	112.8	A111 N112 Y186	D109-A111 PolarHBondContact O-N 2.89Å; D109-A111 WeakPolarHBondContact OD1-CA 3.29Å; D109-A111 WeakPolarHBondContact OD1-CB 3.43Å; D109-A111 PolarHBondContact OD1-N 3.1Å; D109-N112 PolarHBondContact N-OD1 3.47Å; D109-N112 WeakPolarHBondContact O-CB 3.24Å; D109-N112 PolarHBondContact O-N 3.02Å; D109-N112 PolarHBondContact O-OD1 2.87Å; D109-N112 PolarHBondContact OD1-N 3.25Å; D109-N112 PolarHBondContact OD1-OD1 3.13Å; D109-N112 VanDerWaalsContact OD1-OD1 3.11Å; D109-Y186 PolarHBondContact OD2-OH 2.97Å
110	L	93.2	Very high	94.8	Very high	2 Å²	2	15 Å²	15	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-60.5	-31.7	177.2	-66.9	166.8	0	0	0	112	N112 V113 W114 Y186 I189 L452 L455	L110-N112 PolarHBondContact O-N 3.39Å; L110-V113 PolarHBondContact O-N 3.37Å; L110-W114 VanDerWaalsContact C-CD1 3.46Å; L110-W114 PolarHBondContact O-N 3.08Å; L110-Y186 WeakPolarHBondContact CB-OH 3.43Å; L110-Y186 HydrophobicContact CD1-CE1 4.11Å; L110-I189 HydrophobicContact CD1-CB 4.13Å; L110-I189 HydrophobicContact CD1-CD1 4.25Å; L110-I189 HydrophobicContact CD1-CG2 3.79Å; L110-L452 HydrophobicContact CD2-CB 3.89Å; L110-L452 HydrophobicContact CD2-CD2 3.53Å; L110-L452 HydrophobicContact CD2-CG 4.3Å; L110-L452 WeakPolarHBondContact CD2-O 3.42Å; L110-L455 HydrophobicContact CD2-CB 4.09Å; L110-L455 HydrophobicContact CG-CB 4.24Å
111	A	91.9	Very high	94.6	Very high	7 Å²	7	13.4 Å²	13.4	6%	0.058	6%	0.061	C	C	.	.	H	α-helix	trans	-60.9	-32.5	179.8	0	0	0	0	0	112.3	D109 V113 R115 F116	D109-A111 PolarHBondContact O-N 2.89Å; D109-A111 WeakPolarHBondContact OD1-CA 3.29Å; D109-A111 WeakPolarHBondContact OD1-CB 3.43Å; D109-A111 PolarHBondContact OD1-N 3.1Å; A111-V113 PolarHBondContact O-N 3.13Å; A111-R115 HydrophobicContact CB-CB 4.35Å; A111-R115 WeakPolarHBondContact O-CB 3.47Å; A111-R115 PolarHBondContact O-N 3.14Å; A111-F116 PolarHBondContact O-N 3.33Å
112	N	94.4	Very high	94.3	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-61.5	-32.5	172.7	-60.1	93.9	0	0	0	112.6	A107 V108 D109 L110 P117 S358 N390 S394 A397	A107-N112 PolarHBondContact O-OD1 3.24Å; V108-N112 WeakPolarHBondContact CA-OD1 3.35Å; D109-N112 PolarHBondContact N-OD1 3.47Å; D109-N112 WeakPolarHBondContact O-CB 3.24Å; D109-N112 PolarHBondContact O-N 3.02Å; D109-N112 PolarHBondContact O-OD1 2.87Å; D109-N112 PolarHBondContact OD1-N 3.25Å; D109-N112 PolarHBondContact OD1-OD1 3.13Å; D109-N112 VanDerWaalsContact OD1-OD1 3.11Å; L110-N112 PolarHBondContact O-N 3.39Å; N112-P117 WeakPolarHBondContact O-CD 3.42Å; N112-S358 PolarHBondContact ND2-OG 3.48Å; N112-N390 PolarHBondContact ND2-OD1 3.36Å; N112-S394 PolarHBondContact ND2-OG 3.43Å; N112-A397 WeakPolarHBondContact O-CB 3.32Å
113	V	92.9	Very high	94.2	Very high	8 Å²	8	15.4 Å²	15.4	5%	0.048	7%	0.073	C	C	.	.	H	α-helix	trans	-89.7	-46	-175.9	-179.5	0	0	0	0	112.4	L110 A111 P117 A397 V401 L452 L455	L110-V113 PolarHBondContact O-N 3.37Å; A111-V113 PolarHBondContact O-N 3.13Å; V113-P117 WeakPolarHBondContact O-CG 3.3Å; V113-A397 HydrophobicContact CG2-CB 4.21Å; V113-V401 HydrophobicContact CG1-CG2 4.01Å; V113-V401 VanDerWaalsContact O-CG2 3.31Å; V113-V401 WeakPolarHBondContact O-CG2 3.27Å; V113-L452 HydrophobicContact CG1-CD2 4.45Å; V113-L455 HydrophobicContact CG2-CD1 3.48Å; V113-L455 VanDerWaalsContact CG2-CD1 3.48Å
114	W	87.4	Confident	94	Very high	17 Å²	17	15.3 Å²	15.3	6%	0.064	7%	0.073	C	C	.	.	H	α-helix	trans	-105.9	-15.3	-169	72.5	-13.6	0	0	0	115.9	L110 Y186 I189 P424 L426 V427	L110-W114 VanDerWaalsContact C-CD1 3.46Å; L110-W114 PolarHBondContact O-N 3.08Å; W114-Y186 HydrophobicContact CZ2-CE2 4.22Å; W114-I189 HydrophobicContact CH2-CD1 3.18Å; W114-I189 HydrophobicContact CH2-CG1 3.72Å; W114-I189 HydrophobicContact CH2-CG2 4.17Å; W114-I189 HydrophobicContact CZ2-CD1 3.58Å; W114-I189 HydrophobicContact CZ3-CD1 4.13Å; W114-I189 HydrophobicContact CZ3-CG1 4.28Å; W114-I189 HydrophobicContact CZ3-CG2 4.02Å; W114-P424 HydrophobicContact CH2-CG 4.01Å; W114-P424 HydrophobicContact CZ3-CB 4.33Å; W114-P424 HydrophobicContact CZ3-CG 3.7Å; W114-L426 HydrophobicContact CB-CD2 4.28Å; W114-V427 HydrophobicContact CB-CG2 3.55Å; W114-V427 HydrophobicContact CD2-CG2 4.3Å; W114-V427 HydrophobicContact CE3-CB 4.25Å; W114-V427 HydrophobicContact CE3-CG2 3.67Å; W114-V427 HydrophobicContact CG-CG2 4.31Å
115	R	92.4	Very high	93.9	Very high	82 Å²	82	14.9 Å²	14.9	31%	0.309	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-52.2	-171.6	-171.9	-177.1	-177.5	169.3	1.7	110.8	A111 P117 Y118 V119	A111-R115 HydrophobicContact CB-CB 4.35Å; A111-R115 WeakPolarHBondContact O-CB 3.47Å; A111-R115 PolarHBondContact O-N 3.14Å; R115-P117 VanDerWaalsContact C-CD 3.49Å; R115-P117 VanDerWaalsContact C-N 3.35Å; R115-Y118 WeakPolarHBondContact O-CB 3.17Å; R115-Y118 PolarHBondContact O-N 2.97Å; R115-Y118 VanDerWaalsContact O-N 3.11Å; R115-V119 HydrophobicContact CG-CG2 4.02Å; R115-V119 WeakPolarHBondContact O-CG2 3.38Å; R115-V119 PolarHBondContact O-N 3.04Å
116	F	95.8	Very high	93.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-52	-46.9	178.8	171.7	-90.6	0	0	0	113	A111 Y118 V119 C120 F128 L129 Y132 F334 Q354 S394 I395	A111-F116 PolarHBondContact O-N 3.33Å; F116-Y118 VanDerWaalsContact C-N 3.28Å; F116-Y118 PolarHBondContact O-N 3.02Å; F116-V119 PolarHBondContact O-N 3.32Å; F116-C120 HydrophobicContact CE1-CB 4.27Å; F116-C120 HydrophobicContact CZ-CB 4.26Å; F116-C120 WeakPolarHBondContact O-CB 3.31Å; F116-C120 PolarHBondContact O-N 3.48Å; F116-F128 HydrophobicContact CE2-CE1 4.24Å; F116-L129 HydrophobicContact CZ-CD2 3.86Å; F116-Y132 AromaticContact CD2-CE2 3.9Å; F116-Y132 HydrophobicContact CD2-CE2 3.9Å; F116-Y132 HydrophobicContact CE2-CD1 4.32Å; F116-Y132 AromaticContact CE2-CD2 3.97Å; F116-Y132 HydrophobicContact CE2-CD2 3.97Å; F116-Y132 AromaticContact CE2-CE1 4Å; F116-Y132 HydrophobicContact CE2-CE1 4Å; F116-Y132 AromaticContact CE2-CE2 3.61Å; F116-Y132 HydrophobicContact CE2-CE2 3.61Å; F116-Y132 HydrophobicContact CE2-CG 4.3Å; F116-Y132 AromaticContact CE2-CZ 3.62Å; F116-F334 HydrophobicContact CE1-CE2 4.23Å; F116-F334 AromaticContact CE1-CZ 3.98Å; F116-F334 HydrophobicContact CE1-CZ 3.98Å; F116-Q354 HydrophobicContact CB-CG 4.38Å; F116-Q354 HydrophobicContact CD2-CG 3.83Å; F116-S394 WeakPolarHBondContact CD1-O 3.29Å; F116-S394 VanDerWaalsContact CE1-C 3.41Å; F116-S394 WeakPolarHBondContact CE1-O 3.43Å; F116-I395 HydrophobicContact CE1-CG1 4.45Å; F116-I395 HydrophobicContact CZ-CG1 4.25Å
117	P	94.8	Very high	93.9	Very high	1 Å²	1	15 Å²	15	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-63.5	-39	-177.5	-23.6	37.2	0	0	0	111.6	N112 V113 R115 F121 F334 V401 F402	N112-P117 WeakPolarHBondContact O-CD 3.42Å; V113-P117 WeakPolarHBondContact O-CG 3.3Å; R115-P117 VanDerWaalsContact C-CD 3.49Å; R115-P117 VanDerWaalsContact C-N 3.35Å; P117-F121 WeakPolarHBondContact O-CD1 3.47Å; P117-F121 PolarHBondContact O-N 3.2Å; P117-F121 VanDerWaalsContact O-N 3.14Å; P117-F334 HydrophobicContact CB-CE2 4.47Å; P117-V401 HydrophobicContact CB-CB 4.44Å; P117-V401 HydrophobicContact CB-CG1 3.77Å; P117-V401 HydrophobicContact CG-CB 4.25Å; P117-V401 HydrophobicContact CG-CG1 3.95Å; P117-V401 HydrophobicContact CG-CG2 4.33Å; P117-F402 HydrophobicContact CB-CD2 3.93Å; P117-F402 HydrophobicContact CB-CE2 3.58Å; P117-F402 WeakPolarHBondContact O-CE2 3.5Å
118	Y	92.6	Very high	93.9	Very high	68 Å²	68	15 Å²	15	27%	0.267	8%	0.076	S	C	.	.	H	α-helix	trans	-63.3	-51.8	175.8	179.5	-92.5	0	0	0	111.9	R115 F116 C120 F121 T122 T420 G421 E422	R115-Y118 WeakPolarHBondContact O-CB 3.17Å; R115-Y118 PolarHBondContact O-N 2.97Å; R115-Y118 VanDerWaalsContact O-N 3.11Å; F116-Y118 VanDerWaalsContact C-N 3.28Å; F116-Y118 PolarHBondContact O-N 3.02Å; Y118-C120 VanDerWaalsContact C-N 3.3Å; Y118-C120 PolarHBondContact O-N 3.3Å; Y118-F121 HydrophobicContact CD2-CD1 4.46Å; Y118-F121 AromaticContact CD2-CE1 3.39Å; Y118-F121 HydrophobicContact CD2-CE1 3.39Å; Y118-F121 AromaticContact CD2-CZ 3.96Å; Y118-F121 HydrophobicContact CD2-CZ 3.96Å; Y118-F121 AromaticContact CE2-CE1 3.85Å; Y118-F121 HydrophobicContact CE2-CE1 3.85Å; Y118-F121 AromaticContact CE2-CZ 3.94Å; Y118-F121 HydrophobicContact CE2-CZ 3.94Å; Y118-F121 AromaticContact CG-CE1 3.88Å; Y118-F121 HydrophobicContact CG-CE1 3.88Å; Y118-F121 WeakPolarHBondContact O-CD1 3.13Å; Y118-F121 VanDerWaalsContact O-CE1 3.28Å; Y118-F121 WeakPolarHBondContact O-CE1 3.29Å; Y118-F121 PolarHBondContact O-N 3.45Å; Y118-T122 HydrophobicContact CD1-CG2 4.22Å; Y118-T122 HydrophobicContact CD2-CG2 4.35Å; Y118-T122 HydrophobicContact CE1-CG2 3.81Å; Y118-T122 HydrophobicContact CE2-CG2 3.93Å; Y118-T122 HydrophobicContact CG-CG2 4.46Å; Y118-T122 WeakPolarHBondContact O-CB 3.31Å; Y118-T122 WeakPolarHBondContact O-CG2 3.39Å; Y118-T122 PolarHBondContact O-N 2.95Å; Y118-T122 PolarHBondContact O-OG1 2.9Å; Y118-T420 HydrophobicContact CD2-CG2 4.24Å; Y118-G421 WeakPolarHBondContact CD2-O 3.42Å; Y118-E422 HydrophobicContact CD1-CB 3.73Å; Y118-E422 HydrophobicContact CD1-CG 3.7Å; Y118-E422 WeakPolarHBondContact CD1-OE2 3.46Å; Y118-E422 HydrophobicContact CD2-CB 4.02Å; Y118-E422 HydrophobicContact CD2-CG 4.38Å; Y118-E422 HydrophobicContact CE1-CB 4.35Å; Y118-E422 VanDerWaalsContact CE1-CD 3.48Å; Y118-E422 HydrophobicContact CE1-CG 3.86Å; Y118-E422 HydrophobicContact CG-CB 3.56Å; Y118-E422 HydrophobicContact CG-CG 4Å
119	V	93.9	Very high	94	Very high	15 Å²	15	16.3 Å²	16.3	9%	0.091	8%	0.082	C	C	.	.	H	α-helix	trans	-60.9	-41.9	179.5	176.9	0	0	0	0	110.6	R115 F116 T122 N123 F128 N350 Q354	R115-V119 HydrophobicContact CG-CG2 4.02Å; R115-V119 WeakPolarHBondContact O-CG2 3.38Å; R115-V119 PolarHBondContact O-N 3.04Å; F116-V119 PolarHBondContact O-N 3.32Å; V119-T122 PolarHBondContact O-OG1 3.38Å; V119-T122 VanDerWaalsContact O-OG1 3.13Å; V119-N123 VanDerWaalsContact O-CB 3.26Å; V119-N123 WeakPolarHBondContact O-CB 3.31Å; V119-N123 PolarHBondContact O-N 3.5Å; V119-N123 VanDerWaalsContact O-N 3.14Å; V119-N123 PolarHBondContact O-ND2 2.94Å; V119-F128 HydrophobicContact CG1-CE1 4.35Å; V119-F128 HydrophobicContact CG1-CE2 3.89Å; V119-F128 HydrophobicContact CG1-CZ 3.54Å; V119-N350 HydrophobicContact CG1-CB 4.29Å; V119-Q354 HydrophobicContact CG1-CB 4.4Å
120	C	96	Very high	94.2	Very high	1 Å²	1	19 Å²	19	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-60.6	-52.7	179.3	-178.4	0	0	0	0	111.9	F116 Y118 N123 G124 G125 F128 F334	F116-C120 HydrophobicContact CE1-CB 4.27Å; F116-C120 HydrophobicContact CZ-CB 4.26Å; F116-C120 WeakPolarHBondContact O-CB 3.31Å; F116-C120 PolarHBondContact O-N 3.48Å; Y118-C120 VanDerWaalsContact C-N 3.3Å; Y118-C120 PolarHBondContact O-N 3.3Å; C120-N123 PolarHBondContact O-N 3Å; C120-G124 PolarHBondContact O-N 3.22Å; C120-G125 WeakPolarHBondContact O-CA 3.25Å; C120-G125 PolarHBondContact O-N 3.16Å; C120-G125 PolarHBondContact SG-O 3.47Å; C120-F128 HydrophobicContact CB-CD1 3.85Å; C120-F128 HydrophobicContact CB-CE1 4.23Å; C120-F334 HydrophobicContact CB-CD2 4.39Å; C120-F334 HydrophobicContact CB-CE2 3.72Å; C120-F334 VanDerWaalsContact SG-CE2 3.56Å
121	F	92.4	Very high	94.4	Very high	12 Å²	12	18.9 Å²	18.9	5%	0.053	10%	0.095	C	C	.	.	H	α-helix	trans	-67.1	-47.3	-177.9	94.1	-89	0	0	0	111.2	P117 Y118 N123 G124 G125 Y333 R338 F402 T420	P117-F121 WeakPolarHBondContact O-CD1 3.47Å; P117-F121 PolarHBondContact O-N 3.2Å; P117-F121 VanDerWaalsContact O-N 3.14Å; Y118-F121 HydrophobicContact CD2-CD1 4.46Å; Y118-F121 AromaticContact CD2-CE1 3.39Å; Y118-F121 HydrophobicContact CD2-CE1 3.39Å; Y118-F121 AromaticContact CD2-CZ 3.96Å; Y118-F121 HydrophobicContact CD2-CZ 3.96Å; Y118-F121 AromaticContact CE2-CE1 3.85Å; Y118-F121 HydrophobicContact CE2-CE1 3.85Å; Y118-F121 AromaticContact CE2-CZ 3.94Å; Y118-F121 HydrophobicContact CE2-CZ 3.94Å; Y118-F121 AromaticContact CG-CE1 3.88Å; Y118-F121 HydrophobicContact CG-CE1 3.88Å; Y118-F121 WeakPolarHBondContact O-CD1 3.13Å; Y118-F121 VanDerWaalsContact O-CE1 3.28Å; Y118-F121 WeakPolarHBondContact O-CE1 3.29Å; Y118-F121 PolarHBondContact O-N 3.45Å; F121-N123 PolarHBondContact O-N 3.35Å; F121-N123 VanDerWaalsContact O-N 3.15Å; F121-G124 PolarHBondContact O-N 2.92Å; F121-G124 VanDerWaalsContact O-N 3.13Å; F121-G125 PolarHBondContact O-N 3.35Å; F121-Y333 HydrophobicContact CD2-CD1 4.25Å; F121-Y333 AromaticContact CD2-CE1 3.39Å; F121-Y333 HydrophobicContact CD2-CE1 3.39Å; F121-Y333 AromaticContact CE2-CE1 3.77Å; F121-Y333 HydrophobicContact CE2-CE1 3.77Å; F121-Y333 HydrophobicContact CG-CE1 4.1Å; F121-R338 PolarHBondContact O-NH2 3.08Å; F121-F402 HydrophobicContact CB-CZ 3.88Å; F121-F402 HydrophobicContact CD1-CE1 4.49Å; F121-F402 HydrophobicContact CD1-CE2 4.41Å; F121-F402 AromaticContact CD1-CZ 3.59Å; F121-F402 HydrophobicContact CD1-CZ 3.59Å; F121-F402 HydrophobicContact CE1-CZ 4.36Å; F121-F402 AromaticContact CG-CZ 3.87Å; F121-F402 HydrophobicContact CG-CZ 3.87Å; F121-T420 HydrophobicContact CD1-CG2 3.75Å; F121-T420 HydrophobicContact CE1-CG2 3.14Å; F121-T420 HydrophobicContact CZ-CG2 3.62Å
122	T	92.1	Very high	94.6	Very high	40 Å²	40	18.5 Å²	18.5	25%	0.245	9%	0.093	C	C	.	.	H	α-helix	trans	-59.6	-30.1	-177.1	49.6	0	0	0	0	112.7	Y118 V119	Y118-T122 HydrophobicContact CD1-CG2 4.22Å; Y118-T122 HydrophobicContact CD2-CG2 4.35Å; Y118-T122 HydrophobicContact CE1-CG2 3.81Å; Y118-T122 HydrophobicContact CE2-CG2 3.93Å; Y118-T122 HydrophobicContact CG-CG2 4.46Å; Y118-T122 WeakPolarHBondContact O-CB 3.31Å; Y118-T122 WeakPolarHBondContact O-CG2 3.39Å; Y118-T122 PolarHBondContact O-N 2.95Å; Y118-T122 PolarHBondContact O-OG1 2.9Å; V119-T122 PolarHBondContact O-OG1 3.38Å; V119-T122 VanDerWaalsContact O-OG1 3.13Å
123	N	94.5	Very high	94.8	Very high	16 Å²	16	21.3 Å²	21.3	9%	0.086	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	15.8	-177.6	-68.1	-86.2	0	0	0	114.4	V119 C120 F121 F128 V347 N350	V119-N123 VanDerWaalsContact O-CB 3.26Å; V119-N123 WeakPolarHBondContact O-CB 3.31Å; V119-N123 PolarHBondContact O-N 3.5Å; V119-N123 VanDerWaalsContact O-N 3.14Å; V119-N123 PolarHBondContact O-ND2 2.94Å; C120-N123 PolarHBondContact O-N 3Å; F121-N123 PolarHBondContact O-N 3.35Å; F121-N123 VanDerWaalsContact O-N 3.15Å; N123-F128 HydrophobicContact CB-CB 4.47Å; N123-F128 HydrophobicContact CB-CD2 3.36Å; N123-F128 HydrophobicContact CB-CE2 3.8Å; N123-F128 HydrophobicContact CB-CG 4.18Å; N123-V347 HydrophobicContact CB-CB 4.47Å; N123-V347 HydrophobicContact CB-CG1 4.18Å; N123-V347 HydrophobicContact CB-CG2 4.07Å; N123-V347 VanDerWaalsContact O-CG1 3.3Å; N123-V347 WeakPolarHBondContact O-CG1 3.34Å; N123-N350 PolarHBondContact OD1-ND2 2.99Å
124	G	94.2	Very high	95	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	126.8	7.6	169.4	0	0	0	0	0	115.9	C120 F121 G126 A127 R338	C120-G124 PolarHBondContact O-N 3.22Å; F121-G124 PolarHBondContact O-N 2.92Å; F121-G124 VanDerWaalsContact O-N 3.13Å; G124-G126 PolarHBondContact O-N 3.41Å; G124-A127 WeakPolarHBondContact O-CB 3.46Å; G124-A127 PolarHBondContact O-N 3.41Å; G124-R338 PolarHBondContact O-N 3.34Å
125	G	94.6	Very high	95.5	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	60.4	-130.5	-178.6	0	0	0	0	0	110.6	C120 F121 A127 F128 F334	C120-G125 WeakPolarHBondContact O-CA 3.25Å; C120-G125 PolarHBondContact O-N 3.16Å; C120-G125 PolarHBondContact SG-O 3.47Å; F121-G125 PolarHBondContact O-N 3.35Å; G125-A127 PolarHBondContact O-N 2.93Å; G125-F128 VanDerWaalsContact O-CB 3.26Å; G125-F128 WeakPolarHBondContact O-CB 3.25Å; G125-F128 PolarHBondContact O-N 3.3Å; G125-F334 CarbonylContact C-O 3.49Å; G125-F334 WeakPolarHBondContact CA-O 3.5Å
126	G	95.6	Very high	95.7	Very high	18 Å²	18	20.9 Å²	20.9	19%	0.186	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-55.7	-26.3	178.9	0	0	0	0	0	114.8	G124 F128 L129 I335	G124-G126 PolarHBondContact O-N 3.41Å; G126-F128 VanDerWaalsContact C-N 3.33Å; G126-F128 PolarHBondContact O-N 3.21Å; G126-L129 WeakPolarHBondContact O-CB 3.24Å; G126-L129 PolarHBondContact O-N 3.07Å; G126-I335 VanDerWaalsContact CA-O 3.23Å; G126-I335 WeakPolarHBondContact CA-O 3.32Å; G126-I335 PolarHBondContact N-O 2.74Å; G126-I335 VanDerWaalsContact N-O 3.16Å
127	A	97.4	Very high	95.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-67.6	-32.4	176.3	0	0	0	0	0	112.3	G124 G125 L129 I130 P131 P337 R338 F339 L342	G124-A127 WeakPolarHBondContact O-CB 3.46Å; G124-A127 PolarHBondContact O-N 3.41Å; G125-A127 PolarHBondContact O-N 2.93Å; A127-L129 PolarHBondContact O-N 3.36Å; A127-I130 WeakPolarHBondContact O-CB 3.49Å; A127-I130 PolarHBondContact O-N 3.41Å; A127-I130 VanDerWaalsContact O-N 3.12Å; A127-P131 VanDerWaalsContact O-CD 3.31Å; A127-P131 WeakPolarHBondContact O-CD 3.32Å; A127-P337 HydrophobicContact CB-CB 4.25Å; A127-R338 WeakPolarHBondContact CB-O 3.28Å; A127-F339 HydrophobicContact CB-CD1 4.13Å; A127-F339 HydrophobicContact CB-CE1 4.42Å; A127-L342 HydrophobicContact CB-CD1 4.47Å; A127-L342 HydrophobicContact CB-CD2 4.39Å; A127-L342 HydrophobicContact CB-CG 4.29Å; A127-L342 WeakPolarHBondContact O-CD2 3.19Å
128	F	97.4	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-61.5	-25.2	176.9	174.4	-95.9	0	0	0	112.9	F116 V119 C120 N123 G125 G126 I130 P131 Y132 V347 N350 A351	F116-F128 HydrophobicContact CE2-CE1 4.24Å; V119-F128 HydrophobicContact CG1-CE1 4.35Å; V119-F128 HydrophobicContact CG1-CE2 3.89Å; V119-F128 HydrophobicContact CG1-CZ 3.54Å; C120-F128 HydrophobicContact CB-CD1 3.85Å; C120-F128 HydrophobicContact CB-CE1 4.23Å; N123-F128 HydrophobicContact CB-CB 4.47Å; N123-F128 HydrophobicContact CB-CD2 3.36Å; N123-F128 HydrophobicContact CB-CE2 3.8Å; N123-F128 HydrophobicContact CB-CG 4.18Å; G125-F128 VanDerWaalsContact O-CB 3.26Å; G125-F128 WeakPolarHBondContact O-CB 3.25Å; G125-F128 PolarHBondContact O-N 3.3Å; G126-F128 VanDerWaalsContact C-N 3.33Å; G126-F128 PolarHBondContact O-N 3.21Å; F128-I130 PolarHBondContact O-N 3Å; F128-P131 WeakPolarHBondContact O-CD 3.46Å; F128-P131 VanDerWaalsContact O-CG 3.23Å; F128-P131 WeakPolarHBondContact O-CG 3.32Å; F128-Y132 HydrophobicContact CE1-CD2 4.1Å; F128-Y132 HydrophobicContact CE1-CG 4.38Å; F128-Y132 WeakPolarHBondContact O-CB 3.27Å; F128-Y132 PolarHBondContact O-N 3.11Å; F128-Y132 VanDerWaalsContact O-N 3.13Å; F128-V347 HydrophobicContact CD2-CG1 4.25Å; F128-N350 HydrophobicContact CE2-CB 4.45Å; F128-A351 HydrophobicContact CD2-CB 4.17Å; F128-A351 VanDerWaalsContact CE2-CA 3.46Å; F128-A351 HydrophobicContact CE2-CB 3.53Å; F128-A351 VanDerWaalsContact CZ-CA 3.42Å; F128-A351 HydrophobicContact CZ-CB 3.78Å
129	L	97	Very high	96.1	Very high	35 Å²	35	23.2 Å²	23.2	18%	0.183	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-27.2	177.3	-60	179.6	0	0	0	112	F116 G126 A127 Y132 F133 I395	F116-L129 HydrophobicContact CZ-CD2 3.86Å; G126-L129 WeakPolarHBondContact O-CB 3.24Å; G126-L129 PolarHBondContact O-N 3.07Å; A127-L129 PolarHBondContact O-N 3.36Å; L129-Y132 PolarHBondContact O-N 3.22Å; L129-F133 HydrophobicContact CB-CD2 4.18Å; L129-F133 HydrophobicContact CB-CE2 4.23Å; L129-F133 WeakPolarHBondContact O-CB 3.5Å; L129-F133 WeakPolarHBondContact O-CD2 3.42Å; L129-F133 PolarHBondContact O-N 3.48Å; L129-I395 HydrophobicContact CD1-CD1 4.21Å; L129-I395 HydrophobicContact CD2-CD1 4.2Å; L129-I395 HydrophobicContact CD2-CG1 4.09Å
130	I	97.6	Very high	96.2	Very high	73 Å²	73	22.5 Å²	22.5	37%	0.374	12%	0.123	S	C	.	.	H	α-helix	trans	-62.2	-61.1	177.6	-62.7	167.5	0	0	0	111.2	A127 F128 Y132 F133 I134 F339 L342	A127-I130 WeakPolarHBondContact O-CB 3.49Å; A127-I130 PolarHBondContact O-N 3.41Å; A127-I130 VanDerWaalsContact O-N 3.12Å; F128-I130 PolarHBondContact O-N 3Å; I130-Y132 VanDerWaalsContact C-N 3.26Å; I130-Y132 PolarHBondContact O-N 2.78Å; I130-F133 PolarHBondContact O-N 3.29Å; I130-I134 HydrophobicContact CG2-CD1 3.77Å; I130-I134 VanDerWaalsContact O-CG1 3.29Å; I130-I134 WeakPolarHBondContact O-CG1 3.25Å; I130-I134 PolarHBondContact O-N 3.47Å; I130-F339 HydrophobicContact CD1-CE1 4.02Å; I130-L342 HydrophobicContact CD1-CD1 4.07Å
131	P	97	Very high	96.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-33.4	176.3	24.6	-34.1	0	0	0	112.4	A127 F128 I134 V135 L342 V347 W348 A351	A127-P131 VanDerWaalsContact O-CD 3.31Å; A127-P131 WeakPolarHBondContact O-CD 3.32Å; F128-P131 WeakPolarHBondContact O-CD 3.46Å; F128-P131 VanDerWaalsContact O-CG 3.23Å; F128-P131 WeakPolarHBondContact O-CG 3.32Å; P131-I134 PolarHBondContact O-N 3.44Å; P131-V135 WeakPolarHBondContact O-CB 3.26Å; P131-V135 VanDerWaalsContact O-CG2 3.28Å; P131-V135 WeakPolarHBondContact O-CG2 3.49Å; P131-V135 PolarHBondContact O-N 3.48Å; P131-L342 HydrophobicContact CG-CD2 4.12Å; P131-V347 HydrophobicContact CG-CG1 4.25Å; P131-W348 HydrophobicContact CB-CD2 3.6Å; P131-W348 HydrophobicContact CB-CE3 3.41Å; P131-W348 VanDerWaalsContact CB-CE3 3.41Å; P131-W348 HydrophobicContact CB-CG 4.17Å; P131-W348 HydrophobicContact CB-CH2 4.13Å; P131-W348 HydrophobicContact CB-CZ2 4.29Å; P131-W348 HydrophobicContact CB-CZ3 3.7Å; P131-A351 HydrophobicContact CB-CB 3.84Å; P131-A351 HydrophobicContact CG-CB 4.05Å
132	Y	97.2	Very high	96.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.7	-51.9	176	-179.5	-100.1	0	0	0	112.4	F116 F128 L129 I130 M136 Q354 I355 A391 S394	F116-Y132 AromaticContact CD2-CE2 3.9Å; F116-Y132 HydrophobicContact CD2-CE2 3.9Å; F116-Y132 HydrophobicContact CE2-CD1 4.32Å; F116-Y132 AromaticContact CE2-CD2 3.97Å; F116-Y132 HydrophobicContact CE2-CD2 3.97Å; F116-Y132 AromaticContact CE2-CE1 4Å; F116-Y132 HydrophobicContact CE2-CE1 4Å; F116-Y132 AromaticContact CE2-CE2 3.61Å; F116-Y132 HydrophobicContact CE2-CE2 3.61Å; F116-Y132 HydrophobicContact CE2-CG 4.3Å; F116-Y132 AromaticContact CE2-CZ 3.62Å; F128-Y132 HydrophobicContact CE1-CD2 4.1Å; F128-Y132 HydrophobicContact CE1-CG 4.38Å; F128-Y132 WeakPolarHBondContact O-CB 3.27Å; F128-Y132 PolarHBondContact O-N 3.11Å; F128-Y132 VanDerWaalsContact O-N 3.13Å; L129-Y132 PolarHBondContact O-N 3.22Å; I130-Y132 VanDerWaalsContact C-N 3.26Å; I130-Y132 PolarHBondContact O-N 2.78Å; Y132-M136 WeakPolarHBondContact O-CB 3.22Å; Y132-M136 PolarHBondContact O-N 2.72Å; Y132-Q354 HydrophobicContact CE2-CG 4.18Å; Y132-I355 HydrophobicContact CD2-CB 4.04Å; Y132-I355 HydrophobicContact CE1-CD1 4.19Å; Y132-I355 HydrophobicContact CE2-CB 3.74Å; Y132-I355 HydrophobicContact CE2-CD1 3.78Å; Y132-I355 HydrophobicContact CE2-CG1 4.27Å; Y132-I355 WeakPolarHBondContact OH-CD1 3.34Å; Y132-A391 HydrophobicContact CE1-CB 3.78Å; Y132-S394 PolarHBondContact OH-OG 3.18Å; Y132-S394 VanDerWaalsContact OH-OG 3.14Å
133	F	97.8	Very high	96.8	Very high	59 Å²	59	20.2 Å²	20.2	26%	0.259	11%	0.11	S	C	.	.	H	α-helix	trans	-69.5	-36	178.1	-80	-67.1	0	0	0	112.9	L129 I130 M136 I137 A391 I395	L129-F133 HydrophobicContact CB-CD2 4.18Å; L129-F133 HydrophobicContact CB-CE2 4.23Å; L129-F133 WeakPolarHBondContact O-CB 3.5Å; L129-F133 WeakPolarHBondContact O-CD2 3.42Å; L129-F133 PolarHBondContact O-N 3.48Å; I130-F133 PolarHBondContact O-N 3.29Å; F133-M136 HydrophobicContact CD1-CE 3.67Å; F133-M136 HydrophobicContact CD1-SD 4.2Å; F133-M136 HydrophobicContact CE1-CE 4.19Å; F133-M136 HydrophobicContact CE1-SD 4.47Å; F133-M136 WeakPolarHBondContact O-CB 3.39Å; F133-M136 PolarHBondContact O-N 2.82Å; F133-I137 VanDerWaalsContact O-CG1 3.32Å; F133-I137 WeakPolarHBondContact O-CG1 3.22Å; F133-I137 PolarHBondContact O-N 3.02Å; F133-A391 HydrophobicContact CD1-CB 4.47Å; F133-A391 HydrophobicContact CE1-CB 3.69Å; F133-A391 HydrophobicContact CZ-CB 4.25Å; F133-I395 HydrophobicContact CE2-CD1 3.96Å; F133-I395 HydrophobicContact CZ-CD1 3.81Å
134	I	97.6	Very high	97	Very high	75 Å²	75	19.6 Å²	19.6	39%	0.385	11%	0.107	S	C	.	.	H	α-helix	trans	-63	-47.8	175.9	-70.2	169.3	0	0	0	110.3	I130 P131 M136 I137 C138 W348	I130-I134 HydrophobicContact CG2-CD1 3.77Å; I130-I134 VanDerWaalsContact O-CG1 3.29Å; I130-I134 WeakPolarHBondContact O-CG1 3.25Å; I130-I134 PolarHBondContact O-N 3.47Å; P131-I134 PolarHBondContact O-N 3.44Å; I134-M136 VanDerWaalsContact C-N 3.34Å; I134-M136 PolarHBondContact O-N 3.12Å; I134-I137 PolarHBondContact O-N 3.49Å; I134-C138 VanDerWaalsContact O-CB 3.28Å; I134-C138 WeakPolarHBondContact O-CB 3.37Å; I134-C138 PolarHBondContact O-N 3.13Å; I134-C138 PolarHBondContact O-SG 3.17Å; I134-C138 VanDerWaalsContact O-SG 3.4Å; I134-W348 HydrophobicContact CB-CZ3 4.4Å; I134-W348 HydrophobicContact CD1-CH2 3.85Å; I134-W348 HydrophobicContact CD1-CZ3 4.12Å; I134-W348 HydrophobicContact CG2-CZ3 4.23Å
135	V	96.9	Very high	97.2	Very high	11 Å²	11	19.7 Å²	19.7	7%	0.067	11%	0.107	C	C	.	.	H	α-helix	trans	-68.5	-35.2	179.3	177.7	0	0	0	0	111.7	P131 I137 S139 A140 A352 I355 F356 T572	P131-V135 WeakPolarHBondContact O-CB 3.26Å; P131-V135 VanDerWaalsContact O-CG2 3.28Å; P131-V135 WeakPolarHBondContact O-CG2 3.49Å; P131-V135 PolarHBondContact O-N 3.48Å; V135-I137 PolarHBondContact O-N 3.42Å; V135-S139 WeakPolarHBondContact O-CA 3.38Å; V135-S139 PolarHBondContact O-N 2.78Å; V135-A140 PolarHBondContact O-N 2.93Å; V135-A140 VanDerWaalsContact O-N 3.08Å; V135-A352 HydrophobicContact CB-CB 4.43Å; V135-A352 HydrophobicContact CG1-CB 3.75Å; V135-A352 HydrophobicContact CG2-CB 4.1Å; V135-I355 HydrophobicContact CB-CG2 4.17Å; V135-I355 HydrophobicContact CG1-CG2 3.73Å; V135-F356 HydrophobicContact CG1-CD2 4.35Å; V135-F356 HydrophobicContact CG1-CE2 4.1Å; V135-T572 HydrophobicContact CG1-CG2 3.75Å
136	M	97.5	Very high	97.3	Very high	13 Å²	13	19.7 Å²	19.7	6%	0.064	11%	0.107	C	C	.	.	I	π-helix	trans	-54.4	-54.7	172.2	-175.2	-170.7	75	0	0	110.9	Y132 F133 I134 A140 T141 I355 A391	Y132-M136 WeakPolarHBondContact O-CB 3.22Å; Y132-M136 PolarHBondContact O-N 2.72Å; F133-M136 HydrophobicContact CD1-CE 3.67Å; F133-M136 HydrophobicContact CD1-SD 4.2Å; F133-M136 HydrophobicContact CE1-CE 4.19Å; F133-M136 HydrophobicContact CE1-SD 4.47Å; F133-M136 WeakPolarHBondContact O-CB 3.39Å; F133-M136 PolarHBondContact O-N 2.82Å; I134-M136 VanDerWaalsContact C-N 3.34Å; I134-M136 PolarHBondContact O-N 3.12Å; M136-A140 PolarHBondContact O-N 3.27Å; M136-T141 WeakPolarHBondContact O-CB 3.44Å; M136-T141 PolarHBondContact O-N 3Å; M136-T141 PolarHBondContact O-OG1 2.96Å; M136-I355 HydrophobicContact CB-CD1 4.17Å; M136-I355 HydrophobicContact CB-CG1 3.87Å; M136-I355 HydrophobicContact CG-CD1 4Å; M136-I355 HydrophobicContact CG-CG1 4.07Å; M136-I355 HydrophobicContact SD-CD1 4.46Å; M136-A391 HydrophobicContact SD-CB 3.57Å; M136-A391 VanDerWaalsContact SD-CB 3.57Å
137	I	97.8	Very high	97.5	Very high	82 Å²	82	18.8 Å²	18.8	42%	0.421	10%	0.098	S	C	.	.	I	π-helix	trans	-65.5	-52.5	-179	-66.5	168.4	0	0	0	110	F133 I134 V135 S139 P142 Y560	F133-I137 VanDerWaalsContact O-CG1 3.32Å; F133-I137 WeakPolarHBondContact O-CG1 3.22Å; F133-I137 PolarHBondContact O-N 3.02Å; I134-I137 PolarHBondContact O-N 3.49Å; V135-I137 PolarHBondContact O-N 3.42Å; I137-S139 PolarHBondContact O-N 2.91Å; I137-P142 WeakPolarHBondContact O-CD 3.38Å; I137-P142 VanDerWaalsContact O-CG 3.31Å; I137-P142 WeakPolarHBondContact O-CG 3.31Å; I137-Y560 HydrophobicContact CG2-CE2 3.89Å; I137-Y560 WeakPolarHBondContact CG2-OH 3.47Å; I137-Y560 PolarHBondContact O-OH 3.31Å
138	C	96.7	Very high	97.5	Very high	35 Å²	35	18.8 Å²	18.8	24%	0.236	10%	0.098	C	C	.	.	I	π-helix	trans	-75.7	-18	-171.1	-67.9	0	0	0	0	115	I134 C564 L568	I134-C138 VanDerWaalsContact O-CB 3.28Å; I134-C138 WeakPolarHBondContact O-CB 3.37Å; I134-C138 PolarHBondContact O-N 3.13Å; I134-C138 PolarHBondContact O-SG 3.17Å; I134-C138 VanDerWaalsContact O-SG 3.4Å; C138-C564 PolarHBondContact O-SG 2.84Å; C138-L568 HydrophobicContact CB-CD1 4.07Å
139	S	97	Very high	97.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-145	-49.5	-169.2	-58.5	0	0	0	0	115.2	V135 I137 M143 T569 T572	V135-S139 WeakPolarHBondContact O-CA 3.38Å; V135-S139 PolarHBondContact O-N 2.78Å; I137-S139 PolarHBondContact O-N 2.91Å; S139-M143 WeakPolarHBondContact O-CB 3.46Å; S139-M143 PolarHBondContact O-N 3.15Å; S139-T569 WeakPolarHBondContact CA-OG1 3.47Å; S139-T572 WeakPolarHBondContact OG-CB 3.27Å; S139-T572 PolarHBondContact OG-OG1 3.34Å
140	A	97	Very high	97.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-70.4	-48.8	-175.1	0	0	0	0	0	112.4	V135 M136 M143 F144 I355 F356 T359	V135-A140 PolarHBondContact O-N 2.93Å; V135-A140 VanDerWaalsContact O-N 3.08Å; M136-A140 PolarHBondContact O-N 3.27Å; A140-M143 PolarHBondContact O-N 3.11Å; A140-F144 WeakPolarHBondContact O-CB 3.48Å; A140-F144 PolarHBondContact O-N 3.4Å; A140-I355 HydrophobicContact CB-CG1 3.79Å; A140-I355 HydrophobicContact CB-CG2 4.13Å; A140-F356 HydrophobicContact CB-CD2 4.28Å; A140-F356 HydrophobicContact CB-CE2 4.3Å; A140-T359 HydrophobicContact CB-CG2 4.13Å
141	T	97.7	Very high	97.5	Very high	6 Å²	6	13.7 Å²	13.7	4%	0.037	7%	0.071	C	C	.	.	H	α-helix	trans	-63.6	-43.8	176.1	-61.8	0	0	0	0	112.3	M136 M143 F144 Y145 L384 S387 W561	M136-T141 WeakPolarHBondContact O-CB 3.44Å; M136-T141 PolarHBondContact O-N 3Å; M136-T141 PolarHBondContact O-OG1 2.96Å; T141-M143 PolarHBondContact O-N 3.27Å; T141-F144 PolarHBondContact O-N 3.06Å; T141-Y145 WeakPolarHBondContact O-CB 3.28Å; T141-Y145 PolarHBondContact O-N 2.99Å; T141-L384 HydrophobicContact CG2-CD2 3.97Å; T141-S387 WeakPolarHBondContact OG1-CB 3.28Å; T141-S387 PolarHBondContact OG1-OG 2.72Å; T141-W561 HydrophobicContact CG2-CH2 4.08Å; T141-W561 HydrophobicContact CG2-CZ3 4.42Å
142	P	97.7	Very high	97.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-53.3	-47.6	168.4	-30	36.4	0	0	0	113.6	I137 Y145 L146 W561 C564 W565	I137-P142 WeakPolarHBondContact O-CD 3.38Å; I137-P142 VanDerWaalsContact O-CG 3.31Å; I137-P142 WeakPolarHBondContact O-CG 3.31Å; P142-Y145 PolarHBondContact O-N 2.86Å; P142-L146 WeakPolarHBondContact O-CB 3.43Å; P142-L146 PolarHBondContact O-N 2.9Å; P142-W561 HydrophobicContact CB-CE3 4.36Å; P142-W561 HydrophobicContact CB-CZ3 4.38Å; P142-W561 HydrophobicContact CG-CE3 4.39Å; P142-W561 HydrophobicContact CG-CZ3 4.26Å; P142-C564 HydrophobicContact CB-CB 3.64Å; P142-C564 HydrophobicContact CG-CB 3.5Å; P142-W565 VanDerWaalsContact C-NE1 3.34Å; P142-W565 PolarHBondContact O-NE1 2.95Å
143	M	97.3	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.5	-44.7	180	-172	63.9	-174.5	0	0	111.8	S139 A140 T141 L146 E147 F356 A361 Q532 V533 T569	S139-M143 WeakPolarHBondContact O-CB 3.46Å; S139-M143 PolarHBondContact O-N 3.15Å; A140-M143 PolarHBondContact O-N 3.11Å; T141-M143 PolarHBondContact O-N 3.27Å; M143-L146 WeakPolarHBondContact O-CB 3.11Å; M143-L146 PolarHBondContact O-N 3.02Å; M143-L146 HydrophobicContact SD-CD2 4.3Å; M143-E147 PolarHBondContact O-N 3.41Å; M143-E147 VanDerWaalsContact O-N 3.14Å; M143-F356 HydrophobicContact CB-CE1 4.02Å; M143-F356 HydrophobicContact CG-CE1 4.16Å; M143-A361 HydrophobicContact CB-CB 4.28Å; M143-A361 HydrophobicContact CG-CB 3.84Å; M143-Q532 HydrophobicContact CE-CB 4Å; M143-Q532 HydrophobicContact CE-CG 3.86Å; M143-V533 HydrophobicContact SD-CB 4.12Å; M143-T569 HydrophobicContact CB-CG2 4.31Å; M143-T569 HydrophobicContact SD-CG2 4.39Å
144	F	97.8	Very high	97.2	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.013	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-46.5	175.7	172.5	-152.4	0	0	0	111.8	V103 A140 T141 L146 E147 L148 H366 C383 T386	V103-F144 HydrophobicContact CG1-CE1 4.34Å; V103-F144 HydrophobicContact CG1-CE2 3.49Å; V103-F144 VanDerWaalsContact CG1-CE2 3.49Å; V103-F144 HydrophobicContact CG1-CZ 3.23Å; A140-F144 WeakPolarHBondContact O-CB 3.48Å; A140-F144 PolarHBondContact O-N 3.4Å; T141-F144 PolarHBondContact O-N 3.06Å; F144-L146 VanDerWaalsContact C-N 3.3Å; F144-L146 PolarHBondContact O-N 3.06Å; F144-E147 PolarHBondContact O-N 3.46Å; F144-L148 HydrophobicContact CD2-CD1 4.01Å; F144-L148 HydrophobicContact CD2-CG 3.95Å; F144-L148 HydrophobicContact CE2-CD1 3.38Å; F144-L148 HydrophobicContact CE2-CD2 3.86Å; F144-L148 HydrophobicContact CE2-CG 3.57Å; F144-L148 HydrophobicContact CZ-CD1 3.68Å; F144-L148 HydrophobicContact CZ-CG 4.38Å; F144-L148 WeakPolarHBondContact O-CG 3.46Å; F144-L148 PolarHBondContact O-N 3.04Å; F144-L148 VanDerWaalsContact O-N 3.13Å; F144-H366 HydrophobicContact CD2-CB 4.21Å; F144-H366 AromaticContact CD2-CD2 3.62Å; F144-H366 AromaticContact CD2-CE1 3.53Å; F144-H366 AromaticContact CD2-CG 3.53Å; F144-H366 AromaticContact CD2-ND1 3.49Å; F144-H366 WeakPolarHBondContact CD2-ND1 3.48Å; F144-H366 AromaticContact CD2-NE2 3.61Å; F144-H366 HydrophobicContact CE2-CB 4.31Å; F144-H366 AromaticContact CE2-CD2 3.38Å; F144-H366 WeakPolarHBondContact CE2-CD2 3.38Å; F144-H366 AromaticContact CE2-CG 3.69Å; F144-H366 AromaticContact CE2-NE2 3.6Å; F144-C383 HydrophobicContact CD1-CB 4.43Å; F144-C383 WeakPolarHBondContact CD1-SG 3.35Å; F144-C383 HydrophobicContact CE1-CB 4.15Å; F144-C383 WeakPolarHBondContact CE1-O 3.32Å; F144-C383 HydrophobicContact CZ-CB 4.45Å; F144-T386 HydrophobicContact CE1-CG2 4.05Å; F144-T386 HydrophobicContact CZ-CG2 4.3Å
145	Y	98.2	Very high	97.1	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-62.1	-39.3	177.1	-173.6	-143.3	0	0	0	112.2	T141 P142 E147 L148 I149 Y380 C383 L554 W561 W565	T141-Y145 WeakPolarHBondContact O-CB 3.28Å; T141-Y145 PolarHBondContact O-N 2.99Å; P142-Y145 PolarHBondContact O-N 2.86Å; Y145-E147 VanDerWaalsContact C-N 3.32Å; Y145-E147 PolarHBondContact O-N 3.47Å; Y145-L148 PolarHBondContact O-N 3.34Å; Y145-I149 HydrophobicContact CD1-CD1 3.65Å; Y145-I149 HydrophobicContact CD2-CD1 3.88Å; Y145-I149 HydrophobicContact CD2-CG1 3.96Å; Y145-I149 HydrophobicContact CE1-CD1 3.45Å; Y145-I149 VanDerWaalsContact CE1-CD1 3.45Å; Y145-I149 HydrophobicContact CE1-CG1 4.29Å; Y145-I149 HydrophobicContact CE2-CD1 3.67Å; Y145-I149 HydrophobicContact CE2-CG1 3.59Å; Y145-I149 HydrophobicContact CG-CD1 3.85Å; Y145-I149 HydrophobicContact CG-CG1 4.42Å; Y145-I149 VanDerWaalsContact CZ-CD1 3.43Å; Y145-I149 WeakPolarHBondContact O-CD1 3.48Å; Y145-I149 VanDerWaalsContact O-CG1 3.29Å; Y145-I149 WeakPolarHBondContact O-CG1 3.36Å; Y145-I149 PolarHBondContact O-N 2.94Å; Y145-Y380 HydrophobicContact CD1-CD2 4.46Å; Y145-Y380 AromaticContact CE1-CD2 3.84Å; Y145-Y380 HydrophobicContact CE1-CD2 3.84Å; Y145-Y380 HydrophobicContact CE1-CE2 4.45Å; Y145-Y380 HydrophobicContact CE2-CD2 4.12Å; Y145-Y380 AromaticContact CZ-CD2 3.67Å; Y145-C383 VanDerWaalsContact CB-SG 3.58Å; Y145-C383 HydrophobicContact CD2-CB 4.31Å; Y145-L554 HydrophobicContact CE2-CD1 4.37Å; Y145-W561 HydrophobicContact CD1-CD2 4.11Å; Y145-W561 AromaticContact CD1-CE3 3.71Å; Y145-W561 HydrophobicContact CD1-CE3 3.71Å; Y145-W561 AromaticContact CD1-CH2 3.92Å; Y145-W561 HydrophobicContact CD1-CH2 3.92Å; Y145-W561 HydrophobicContact CD1-CZ2 4.32Å; Y145-W561 AromaticContact CD1-CZ3 3.59Å; Y145-W561 HydrophobicContact CD1-CZ3 3.59Å; Y145-W561 HydrophobicContact CE1-CD2 4.47Å; Y145-W561 HydrophobicContact CE1-CE3 4.5Å; Y145-W561 HydrophobicContact CG-CH2 4.35Å; Y145-W561 HydrophobicContact CG-CZ3 4.11Å; Y145-W565 AromaticContact CD1-CH2 3.96Å; Y145-W565 HydrophobicContact CD1-CH2 3.96Å; Y145-W565 AromaticContact CD1-CZ2 3.65Å; Y145-W565 HydrophobicContact CD1-CZ2 3.65Å; Y145-W565 HydrophobicContact CE1-CH2 4.09Å; Y145-W565 HydrophobicContact CE1-CZ2 4.25Å; Y145-W565 HydrophobicContact CG-CZ2 4.4Å
146	L	98.1	Very high	96.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-57.2	-46.2	176.5	-173.3	65.5	0	0	0	111.3	P142 M143 F144 L148 I149 L150 V533 I536 L545 W565	P142-L146 WeakPolarHBondContact O-CB 3.43Å; P142-L146 PolarHBondContact O-N 2.9Å; M143-L146 WeakPolarHBondContact O-CB 3.11Å; M143-L146 PolarHBondContact O-N 3.02Å; M143-L146 HydrophobicContact SD-CD2 4.3Å; F144-L146 VanDerWaalsContact C-N 3.3Å; F144-L146 PolarHBondContact O-N 3.06Å; L146-L148 PolarHBondContact O-N 3.43Å; L146-I149 PolarHBondContact O-N 3.44Å; L146-L150 HydrophobicContact CD1-CD1 4.47Å; L146-L150 HydrophobicContact CG-CD1 4.03Å; L146-L150 WeakPolarHBondContact O-CD1 3.2Å; L146-L150 WeakPolarHBondContact O-CG 3.4Å; L146-L150 PolarHBondContact O-N 3.09Å; L146-V533 HydrophobicContact CD2-CB 4.36Å; L146-V533 HydrophobicContact CD2-CG2 4.15Å; L146-I536 HydrophobicContact CD1-CB 4.48Å; L146-I536 HydrophobicContact CD1-CG2 3.82Å; L146-I536 HydrophobicContact CD2-CB 4.42Å; L146-L545 HydrophobicContact CD1-CD1 4.12Å; L146-L545 HydrophobicContact CD1-CD2 3.65Å; L146-W565 HydrophobicContact CB-CZ2 4.47Å; L146-W565 HydrophobicContact CD1-CD2 4.43Å; L146-W565 HydrophobicContact CD1-CZ2 4.42Å
147	E	98.2	Very high	96.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.5	-42.1	177.7	-75.3	-175.6	161.8	0	0	112.8	M143 F144 Y145 L150 G151 G362 H366 I367 Q532	M143-E147 PolarHBondContact O-N 3.41Å; M143-E147 VanDerWaalsContact O-N 3.14Å; F144-E147 PolarHBondContact O-N 3.46Å; Y145-E147 VanDerWaalsContact C-N 3.32Å; Y145-E147 PolarHBondContact O-N 3.47Å; E147-L150 PolarHBondContact O-N 2.59Å; E147-G151 PolarHBondContact O-N 3.4Å; E147-G362 WeakPolarHBondContact OE1-CA 3.16Å; E147-G362 PolarHBondContact OE1-N 3.46Å; E147-H366 HydrophobicContact CB-CB 3.67Å; E147-H366 WeakPolarHBondContact OE2-CB 3.37Å; E147-H366 IonicContact OE2-CE1 2.68Å; E147-H366 IonicContact OE2-CG 3.8Å; E147-H366 IonicContact OE2-ND1 3.88Å; E147-H366 PolarHBondContact OE2-ND1 3.39Å; E147-I367 HydrophobicContact CB-CG1 3.83Å; E147-I367 HydrophobicContact CG-CD1 4.24Å; E147-I367 HydrophobicContact CG-CG1 3.92Å; E147-Q532 PolarHBondContact OE1-NE2 2.82Å; E147-Q532 PolarHBondContact OE1-OE1 2.82Å
148	L	98.1	Very high	96.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.7	-41.9	176.7	-67.5	-177.8	0	0	0	112.3	F99 F144 Y145 L146 Q152 H366 A370 C379 C383	F99-L148 HydrophobicContact CE2-CD2 4.17Å; F99-L148 HydrophobicContact CZ-CD1 4.44Å; F99-L148 HydrophobicContact CZ-CD2 3.7Å; F144-L148 HydrophobicContact CD2-CD1 4.01Å; F144-L148 HydrophobicContact CD2-CG 3.95Å; F144-L148 HydrophobicContact CE2-CD1 3.38Å; F144-L148 HydrophobicContact CE2-CD2 3.86Å; F144-L148 HydrophobicContact CE2-CG 3.57Å; F144-L148 HydrophobicContact CZ-CD1 3.68Å; F144-L148 HydrophobicContact CZ-CG 4.38Å; F144-L148 WeakPolarHBondContact O-CG 3.46Å; F144-L148 PolarHBondContact O-N 3.04Å; F144-L148 VanDerWaalsContact O-N 3.13Å; Y145-L148 PolarHBondContact O-N 3.34Å; L146-L148 PolarHBondContact O-N 3.43Å; L148-Q152 VanDerWaalsContact O-CB 3.22Å; L148-Q152 WeakPolarHBondContact O-CB 3.03Å; L148-Q152 PolarHBondContact O-N 2.9Å; L148-H366 HydrophobicContact CD2-CB 4.01Å; L148-A370 HydrophobicContact CD2-CB 3.92Å; L148-A370 WeakPolarHBondContact O-CB 3.42Å; L148-C379 HydrophobicContact CB-CB 4.17Å; L148-C379 HydrophobicContact CD1-CB 4.21Å; L148-C383 HydrophobicContact CD1-CB 3.85Å
149	I	97.9	Very high	96.6	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-60.1	-49	176.1	-71.7	158.1	0	0	0	110.3	Y145 L146 K153 L545 I549 M552 W565	Y145-I149 HydrophobicContact CD1-CD1 3.65Å; Y145-I149 HydrophobicContact CD2-CD1 3.88Å; Y145-I149 HydrophobicContact CD2-CG1 3.96Å; Y145-I149 HydrophobicContact CE1-CD1 3.45Å; Y145-I149 VanDerWaalsContact CE1-CD1 3.45Å; Y145-I149 HydrophobicContact CE1-CG1 4.29Å; Y145-I149 HydrophobicContact CE2-CD1 3.67Å; Y145-I149 HydrophobicContact CE2-CG1 3.59Å; Y145-I149 HydrophobicContact CG-CD1 3.85Å; Y145-I149 HydrophobicContact CG-CG1 4.42Å; Y145-I149 VanDerWaalsContact CZ-CD1 3.43Å; Y145-I149 WeakPolarHBondContact O-CD1 3.48Å; Y145-I149 VanDerWaalsContact O-CG1 3.29Å; Y145-I149 WeakPolarHBondContact O-CG1 3.36Å; Y145-I149 PolarHBondContact O-N 2.94Å; L146-I149 PolarHBondContact O-N 3.44Å; I149-K153 WeakPolarHBondContact O-CB 3.44Å; I149-K153 PolarHBondContact O-N 3.5Å; I149-L545 HydrophobicContact CG2-CD1 3.6Å; I149-I549 HydrophobicContact CD1-CD1 3.46Å; I149-I549 VanDerWaalsContact CD1-CD1 3.46Å; I149-I549 HydrophobicContact CD1-CG1 3.78Å; I149-I549 HydrophobicContact CG1-CD1 4.22Å; I149-I549 HydrophobicContact CG1-CG1 3.96Å; I149-I549 HydrophobicContact CG2-CD1 4.29Å; I149-I549 HydrophobicContact CG2-CG1 3.75Å; I149-M552 HydrophobicContact CB-CE 4.28Å; I149-M552 HydrophobicContact CG1-CE 4.42Å; I149-M552 HydrophobicContact CG2-CE 3.76Å; I149-W565 HydrophobicContact CD1-CH2 3.74Å; I149-W565 HydrophobicContact CD1-CZ2 3.9Å
150	L	97.2	Very high	96.4	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-64.3	-46.7	-177.1	-69.1	167.9	0	0	0	111.7	L146 E147 H154 L161 I164 I536	L146-L150 HydrophobicContact CD1-CD1 4.47Å; L146-L150 HydrophobicContact CG-CD1 4.03Å; L146-L150 WeakPolarHBondContact O-CD1 3.2Å; L146-L150 WeakPolarHBondContact O-CG 3.4Å; L146-L150 PolarHBondContact O-N 3.09Å; E147-L150 PolarHBondContact O-N 2.59Å; L150-H154 WeakPolarHBondContact O-CB 3.45Å; L150-H154 PolarHBondContact O-CD2 3.35Å; L150-H154 VanDerWaalsContact O-CD2 3.31Å; L150-H154 PolarHBondContact O-N 2.96Å; L150-H154 VanDerWaalsContact O-N 3.14Å; L150-L161 HydrophobicContact CB-CD1 3.98Å; L150-L161 HydrophobicContact CB-CD2 3.86Å; L150-L161 HydrophobicContact CD1-CD2 4.26Å; L150-I164 HydrophobicContact CD2-CD1 4.14Å; L150-I536 HydrophobicContact CD1-CD1 4.06Å; L150-I536 HydrophobicContact CD1-CG1 3.85Å; L150-I536 HydrophobicContact CD2-CD1 3.79Å; L150-I536 HydrophobicContact CD2-CG1 4.3Å; L150-I536 HydrophobicContact CD2-CG2 4.33Å
151	G	96.9	Very high	96.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.3	-46.1	177.8	0	0	0	0	0	112.7	E147 R155 I367 T371	E147-G151 PolarHBondContact O-N 3.4Å; G151-R155 VanDerWaalsContact O-CA 3.3Å; G151-R155 WeakPolarHBondContact O-CA 3.47Å; G151-R155 PolarHBondContact O-N 3.27Å; G151-I367 WeakPolarHBondContact CA-O 3.32Å; G151-T371 WeakPolarHBondContact O-CA 3.37Å
152	Q	96.3	Very high	96.2	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-70.3	-40.4	-178.4	-174.7	173	-50.8	0	0	112.7	L148 A370 N373 K375 Y377 C379 M552	L148-Q152 VanDerWaalsContact O-CB 3.22Å; L148-Q152 WeakPolarHBondContact O-CB 3.03Å; L148-Q152 PolarHBondContact O-N 2.9Å; Q152-A370 VanDerWaalsContact CA-O 3.29Å; Q152-A370 WeakPolarHBondContact CA-O 3.5Å; Q152-A370 HydrophobicContact CB-CB 4.24Å; Q152-N373 HydrophobicContact CG-CB 3.98Å; Q152-N373 PolarHBondContact OE1-ND2 2.78Å; Q152-K375 PolarHBondContact NE2-O 2.7Å; Q152-Y377 PolarHBondContact NE2-O 3.27Å; Q152-Y377 PolarHBondContact OE1-O 2.85Å; Q152-C379 PolarHBondContact OE1-SG 2.89Å; Q152-M552 HydrophobicContact CB-SD 3.9Å; Q152-M552 HydrophobicContact CG-SD 3.73Å
153	K	95.7	Very high	95.7	Very high	71 Å²	71	13.6 Å²	13.6	31%	0.309	6%	0.06	S	C	.	.	H	α-helix	trans	-67.3	-47.8	-179.5	174	63.9	-171.9	-163.9	0	111.9	I149 D548 S551 M552	I149-K153 WeakPolarHBondContact O-CB 3.44Å; I149-K153 PolarHBondContact O-N 3.5Å; K153-D548 HydrophobicContact CB-CB 4.5Å; K153-D548 HydrophobicContact CD-CB 3.86Å; K153-D548 WeakPolarHBondContact CE-OD1 3.3Å; K153-D548 HydrophobicContact CG-CB 3.82Å; K153-D548 IonicContact NZ-OD1 3.17Å; K153-D548 PolarHBondContact NZ-OD1 3.05Å; K153-S551 PolarHBondContact NZ-OG 3.31Å; K153-M552 HydrophobicContact CB-CE 4.03Å; K153-M552 HydrophobicContact CB-SD 3.83Å; K153-M552 HydrophobicContact CD-CG 4.46Å
154	H	94.4	Very high	95.4	Very high	41 Å²	41	15.1 Å²	15.1	19%	0.19	7%	0.067	C	C	.	.	H	α-helix	trans	-95.1	-16.7	-169.8	-62.6	-66.6	0	0	0	113.4	L150 R156 L161 I164 Y540	L150-H154 WeakPolarHBondContact O-CB 3.45Å; L150-H154 PolarHBondContact O-CD2 3.35Å; L150-H154 VanDerWaalsContact O-CD2 3.31Å; L150-H154 PolarHBondContact O-N 2.96Å; L150-H154 VanDerWaalsContact O-N 3.14Å; H154-R156 WeakPolarHBondContact O-CG 3.36Å; H154-R156 PolarHBondContact O-N 3.49Å; H154-L161 HydrophobicContact CB-CD1 3.82Å; H154-I164 VanDerWaalsContact CE1-CG2 3.47Å; H154-I164 WeakPolarHBondContact CE1-CG2 3.47Å; H154-Y540 PolarHBondContact CE1-OH 2.87Å
155	R	94.3	Very high	95	Very high	17 Å²	17	15 Å²	15	6%	0.064	7%	0.067	C	C	.	.			trans	49.1	41	-177.1	-58.7	-163.4	75.6	-161.9	6.9	113.4	R90 E91 E92 G151 T371	R90-R155 PolarHBondContact NE-O 2.72Å; R90-R155 PolarHBondContact NH2-O 2.95Å; R90-R155 PolarHBondContact O-NH2 3.14Å; E91-R155 PolarHBondContact O-NH2 3.46Å; E91-R155 VanDerWaalsContact O-NH2 3.09Å; E92-R155 IonicContact OE1-CZ 3.82Å; E92-R155 IonicContact OE1-NH1 2.62Å; E92-R155 IonicContact OE1-NH2 2.68Å; G151-R155 VanDerWaalsContact O-CA 3.3Å; G151-R155 WeakPolarHBondContact O-CA 3.47Å; G151-R155 PolarHBondContact O-N 3.27Å; R155-T371 PolarHBondContact NE-O 3.45Å; R155-T371 PolarHBondContact NH2-O 2.99Å
156	R	93.3	Very high	94.6	Very high	100 Å²	100	15.3 Å²	15.3	38%	0.377	7%	0.069	S	C	.	.			trans	-133	140.7	179.2	-70.9	-179.8	-178.6	-160.4	-1.7	111.1	H154 S160 D163 I367 T371 D473	H154-R156 WeakPolarHBondContact O-CG 3.36Å; H154-R156 PolarHBondContact O-N 3.49Å; R156-S160 VanDerWaalsContact CD-O 3.3Å; R156-S160 WeakPolarHBondContact CD-O 3.45Å; R156-S160 PolarHBondContact NH1-O 2.89Å; R156-D163 IonicContact CZ-OD2 2.97Å; R156-D163 VanDerWaalsContact NH1-CG 3.34Å; R156-D163 IonicContact NH1-OD2 3.84Å; R156-D163 PolarHBondContact NH1-OD2 3.36Å; R156-I367 WeakPolarHBondContact O-CG2 3.38Å; R156-T371 VanDerWaalsContact O-CG2 3.27Å; R156-T371 WeakPolarHBondContact O-CG2 3.17Å; R156-D473 WeakPolarHBondContact CA-OD2 3.42Å
157	G	94	Very high	94.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.071	C	C	.	.			trans	-67.5	174.3	176.8	0	0	0	0	0	112.7	I159 S160 L161 D473	G157-I159 VanDerWaalsContact C-N 3.27Å; G157-I159 PolarHBondContact O-N 3.31Å; G157-S160 PolarHBondContact O-N 2.75Å; G157-L161 VanDerWaalsContact O-CB 3.28Å; G157-L161 WeakPolarHBondContact O-CB 3.4Å; G157-L161 PolarHBondContact O-N 2.63Å; G157-D473 PolarHBondContact N-OD2 3.48Å
158	A	95.9	Very high	94	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-37.4	-166.9	0	0	0	0	0	114.9	W162 G172 Q175 V176	A158-W162 PolarHBondContact O-NE1 2.99Å; A158-G172 VanDerWaalsContact O-CA 3.25Å; A158-G172 WeakPolarHBondContact O-CA 3.25Å; A158-Q175 HydrophobicContact CB-CB 4.47Å; A158-V176 HydrophobicContact CB-CG2 4.1Å
159	I	95.8	Very high	93.9	Very high	13 Å²	13	18.1 Å²	18.1	7%	0.067	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-54.6	179.3	-61.7	169.4	0	0	0	111.6	G157 L161 W162 R169 I173 V176 A470 I474	G157-I159 VanDerWaalsContact C-N 3.27Å; G157-I159 PolarHBondContact O-N 3.31Å; I159-L161 PolarHBondContact O-N 3.4Å; I159-W162 PolarHBondContact O-N 2.95Å; I159-R169 HydrophobicContact CG2-CG 4.13Å; I159-I173 HydrophobicContact CD1-CG1 4.17Å; I159-I173 HydrophobicContact CG1-CG1 4.04Å; I159-I173 HydrophobicContact CG2-CG1 4.18Å; I159-V176 HydrophobicContact CD1-CB 4.23Å; I159-V176 HydrophobicContact CD1-CG1 4.4Å; I159-V176 HydrophobicContact CD1-CG2 3.88Å; I159-V176 HydrophobicContact CG1-CG2 3.86Å; I159-A470 HydrophobicContact CB-CB 4.49Å; I159-A470 HydrophobicContact CD1-CB 4.12Å; I159-A470 HydrophobicContact CG1-CB 4.16Å; I159-I474 HydrophobicContact CB-CD1 4.08Å; I159-I474 HydrophobicContact CD1-CD1 3.67Å; I159-I474 HydrophobicContact CG1-CD1 4.47Å; I159-I474 HydrophobicContact CG2-CD1 3.87Å; I159-I474 HydrophobicContact CG2-CG1 4.45Å
160	S	93.7	Very high	93.8	Very high	8 Å²	8	18.1 Å²	18.1	6%	0.056	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-71.4	-16.2	-174.9	-61.1	0	0	0	0	113.5	R156 G157 W162 D163 D473	R156-S160 VanDerWaalsContact CD-O 3.3Å; R156-S160 WeakPolarHBondContact CD-O 3.45Å; R156-S160 PolarHBondContact NH1-O 2.89Å; G157-S160 PolarHBondContact O-N 2.75Å; S160-W162 PolarHBondContact O-N 3.34Å; S160-D163 WeakPolarHBondContact O-CB 3.26Å; S160-D163 PolarHBondContact O-N 2.86Å; S160-D473 WeakPolarHBondContact OG-CB 3.24Å
161	L	94.7	Very high	93.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-55.7	-41.3	170	172.6	65.5	0	0	0	111.5	L150 H154 G157 I159 D163 I164 I367	L150-L161 HydrophobicContact CB-CD1 3.98Å; L150-L161 HydrophobicContact CB-CD2 3.86Å; L150-L161 HydrophobicContact CD1-CD2 4.26Å; H154-L161 HydrophobicContact CB-CD1 3.82Å; G157-L161 VanDerWaalsContact O-CB 3.28Å; G157-L161 WeakPolarHBondContact O-CB 3.4Å; G157-L161 PolarHBondContact O-N 2.63Å; I159-L161 PolarHBondContact O-N 3.4Å; L161-D163 PolarHBondContact O-N 2.88Å; L161-I164 HydrophobicContact CD1-CD1 4.34Å; L161-I164 WeakPolarHBondContact O-CG1 3.28Å; L161-I164 PolarHBondContact O-N 3.21Å; L161-I367 HydrophobicContact CD2-CD1 3.78Å; L161-I367 HydrophobicContact CD2-CG1 4.38Å; L161-I367 HydrophobicContact CD2-CG2 3.96Å
162	W	94.8	Very high	93.8	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-71.8	3.2	-174.3	-66.4	104.7	0	0	0	114.7	A158 I159 S160 I164 C165 P166 F168 R169 V171 G172 Q532 A535 I536	A158-W162 PolarHBondContact O-NE1 2.99Å; I159-W162 PolarHBondContact O-N 2.95Å; S160-W162 PolarHBondContact O-N 3.34Å; W162-I164 PolarHBondContact O-N 3.28Å; W162-I164 VanDerWaalsContact O-N 3.11Å; W162-C165 CarbonylContact O-C 3.5Å; W162-C165 PolarHBondContact O-N 2.82Å; W162-C165 VanDerWaalsContact O-O 3.11Å; W162-P166 VanDerWaalsContact O-CA 3.26Å; W162-P166 WeakPolarHBondContact O-CA 3.06Å; W162-P166 VanDerWaalsContact O-N 3.08Å; W162-F168 HydrophobicContact CD2-CB 4.12Å; W162-F168 HydrophobicContact CE3-CB 3.49Å; W162-F168 VanDerWaalsContact CE3-CB 3.49Å; W162-F168 HydrophobicContact CH2-CB 4.46Å; W162-F168 HydrophobicContact CZ3-CB 3.7Å; W162-F168 HydrophobicContact CZ3-CG 4.47Å; W162-R169 VanDerWaalsContact CB-CA 3.43Å; W162-R169 HydrophobicContact CB-CB 3.81Å; W162-R169 HydrophobicContact CB-CG 4.28Å; W162-V171 HydrophobicContact CH2-CB 4.45Å; W162-V171 HydrophobicContact CH2-CG1 4.32Å; W162-V171 HydrophobicContact CZ2-CB 3.72Å; W162-V171 HydrophobicContact CZ2-CG1 3.49Å; W162-V171 VanDerWaalsContact CZ2-CG1 3.49Å; W162-V171 HydrophobicContact CZ2-CG2 4.43Å; W162-G172 VanDerWaalsContact NE1-CA 3.33Å; W162-Q532 HydrophobicContact CH2-CB 4.21Å; W162-Q532 HydrophobicContact CH2-CG 3.95Å; W162-Q532 HydrophobicContact CZ2-CB 4.15Å; W162-Q532 HydrophobicContact CZ2-CG 3.91Å; W162-A535 HydrophobicContact CH2-CB 3.76Å; W162-A535 HydrophobicContact CZ3-CB 3.47Å; W162-A535 VanDerWaalsContact CZ3-CB 3.47Å; W162-I536 HydrophobicContact CH2-CD1 4.12Å; W162-I536 HydrophobicContact CH2-CG1 4.16Å; W162-I536 HydrophobicContact CZ3-CD1 3.84Å; W162-I536 HydrophobicContact CZ3-CG1 4.3Å
163	D	87.6	Confident	93.9	Very high	27 Å²	27	20 Å²	20	14%	0.144	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-57.8	-19	164.7	-80	7.1	0	0	0	112.2	R156 S160 L161 C165 R169 P663	R156-D163 IonicContact CZ-OD2 2.97Å; R156-D163 VanDerWaalsContact NH1-CG 3.34Å; R156-D163 IonicContact NH1-OD2 3.84Å; R156-D163 PolarHBondContact NH1-OD2 3.36Å; S160-D163 WeakPolarHBondContact O-CB 3.26Å; S160-D163 PolarHBondContact O-N 2.86Å; L161-D163 PolarHBondContact O-N 2.88Å; D163-C165 VanDerWaalsContact C-N 3.31Å; D163-R169 IonicContact OD1-NH1 3.34Å; D163-R169 PolarHBondContact OD1-NH1 3.46Å; D163-R169 VanDerWaalsContact OD1-NH1 3.11Å; D163-P663 HydrophobicContact CB-CB 3.68Å; D163-P663 HydrophobicContact CB-CG 3.94Å; D163-P663 WeakPolarHBondContact O-CD 3.48Å; D163-P663 WeakPolarHBondContact OD2-CB 3.03Å
164	I	89.8	Confident	94	Very high	31 Å²	31	16.6 Å²	16.6	16%	0.159	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-69	-24.9	170.2	66.8	-178.1	0	0	0	114.3	L150 H154 L161 W162 I536 Y540	L150-I164 HydrophobicContact CD2-CD1 4.14Å; H154-I164 VanDerWaalsContact CE1-CG2 3.47Å; H154-I164 WeakPolarHBondContact CE1-CG2 3.47Å; L161-I164 HydrophobicContact CD1-CD1 4.34Å; L161-I164 WeakPolarHBondContact O-CG1 3.28Å; L161-I164 PolarHBondContact O-N 3.21Å; W162-I164 PolarHBondContact O-N 3.28Å; W162-I164 VanDerWaalsContact O-N 3.11Å; I164-I536 HydrophobicContact CD1-CD1 3.62Å; I164-Y540 HydrophobicContact CB-CD2 3.85Å; I164-Y540 HydrophobicContact CB-CE2 3.65Å; I164-Y540 HydrophobicContact CD1-CD2 4.02Å; I164-Y540 HydrophobicContact CD1-CE2 4.12Å; I164-Y540 HydrophobicContact CD1-CG 4.37Å; I164-Y540 HydrophobicContact CG1-CD2 4.07Å; I164-Y540 HydrophobicContact CG1-CE2 4.25Å; I164-Y540 HydrophobicContact CG2-CE2 4.1Å
165	C	90.4	Very high	94.1	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.014	7%	0.067	C	C	.	.	S	Bend	trans	-154.4	79.2	177.6	-163.1	0	0	0	0	108.5	W162 D163 M167 F168	W162-C165 CarbonylContact O-C 3.5Å; W162-C165 PolarHBondContact O-N 2.82Å; W162-C165 VanDerWaalsContact O-O 3.11Å; D163-C165 VanDerWaalsContact C-N 3.31Å; C165-M167 PolarHBondContact O-N 2.75Å; C165-F168 HydrophobicContact CB-CD2 4.36Å; C165-F168 PolarHBondContact O-N 3.05Å; C165-F168 VanDerWaalsContact SG-CD2 3.6Å
166	P	89.7	Confident	94.2	Very high	7 Å²	7	14.5 Å²	14.5	5%	0.045	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-58.7	-24.9	-164.6	-29.7	37.6	0	0	0	115.1	W162 F168 R169 M661 V666	W162-P166 VanDerWaalsContact O-CA 3.26Å; W162-P166 WeakPolarHBondContact O-CA 3.06Å; W162-P166 VanDerWaalsContact O-N 3.08Å; P166-F168 PolarHBondContact O-N 3.18Å; P166-R169 VanDerWaalsContact O-CB 3.25Å; P166-R169 WeakPolarHBondContact O-CB 3.09Å; P166-R169 PolarHBondContact O-N 3.17Å; P166-R169 VanDerWaalsContact O-N 3.15Å; P166-M661 WeakPolarHBondContact CD-O 3.27Å; P166-V666 HydrophobicContact CB-CB 3.81Å; P166-V666 HydrophobicContact CB-CG1 3.87Å; P166-V666 HydrophobicContact CB-CG2 3.67Å; P166-V666 HydrophobicContact CG-CB 4.1Å; P166-V666 HydrophobicContact CG-CG2 3.65Å
167	M	89.9	Confident	94.4	Very high	9 Å²	9	11.7 Å²	11.7	4%	0.044	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-60.3	-27.3	175.3	-176.1	173.7	-81	0	0	113.4	C165 F642 V645 I658 F659	C165-M167 PolarHBondContact O-N 2.75Å; M167-F642 HydrophobicContact CE-CE2 4.13Å; M167-F642 HydrophobicContact CE-CZ 4.19Å; M167-F642 HydrophobicContact CG-CB 4.42Å; M167-F642 HydrophobicContact CG-CD2 3.18Å; M167-F642 HydrophobicContact CG-CE2 3.49Å; M167-F642 VanDerWaalsContact CG-CE2 3.49Å; M167-F642 HydrophobicContact CG-CG 3.91Å; M167-F642 HydrophobicContact CG-CZ 4.39Å; M167-F642 HydrophobicContact SD-CD2 3.53Å; M167-F642 VanDerWaalsContact SD-CD2 3.53Å; M167-F642 HydrophobicContact SD-CE2 3.08Å; M167-F642 WeakPolarHBondContact SD-CE2 3.31Å; M167-F642 HydrophobicContact SD-CG 4.44Å; M167-F642 HydrophobicContact SD-CZ 3.68Å; M167-V645 HydrophobicContact CB-CG1 4.45Å; M167-I658 HydrophobicContact CE-CB 4.4Å; M167-I658 HydrophobicContact CE-CG2 3.45Å; M167-I658 VanDerWaalsContact CE-CG2 3.45Å; M167-F659 HydrophobicContact CE-CE1 4.4Å; M167-F659 HydrophobicContact CG-CE1 4.4Å; M167-F659 HydrophobicContact SD-CD1 4.13Å; M167-F659 HydrophobicContact SD-CE1 3.24Å; M167-F659 WeakPolarHBondContact SD-CE1 3.41Å; M167-F659 HydrophobicContact SD-CZ 3.56Å; M167-F659 VanDerWaalsContact SD-CZ 3.56Å
168	F	94.3	Very high	94.5	Very high	10 Å²	10	11.8 Å²	11.8	4%	0.044	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-97.7	10.4	178.5	-70.7	-82.2	0	0	0	113.5	W162 C165 P166 G170 V171 F531 A535 F539 F659	W162-F168 HydrophobicContact CD2-CB 4.12Å; W162-F168 HydrophobicContact CE3-CB 3.49Å; W162-F168 VanDerWaalsContact CE3-CB 3.49Å; W162-F168 HydrophobicContact CH2-CB 4.46Å; W162-F168 HydrophobicContact CZ3-CB 3.7Å; W162-F168 HydrophobicContact CZ3-CG 4.47Å; C165-F168 HydrophobicContact CB-CD2 4.36Å; C165-F168 PolarHBondContact O-N 3.05Å; C165-F168 VanDerWaalsContact SG-CD2 3.6Å; P166-F168 PolarHBondContact O-N 3.18Å; F168-G170 PolarHBondContact O-N 2.94Å; F168-G170 VanDerWaalsContact O-N 3.07Å; F168-V171 HydrophobicContact CB-CG2 4.21Å; F168-V171 HydrophobicContact CD1-CG2 4.15Å; F168-V171 VanDerWaalsContact O-CB 3.22Å; F168-V171 WeakPolarHBondContact O-CB 3.25Å; F168-V171 WeakPolarHBondContact O-CG2 3.44Å; F168-V171 PolarHBondContact O-N 3.21Å; F168-F531 HydrophobicContact CE1-CD1 4.25Å; F168-A535 HydrophobicContact CB-CB 3.94Å; F168-A535 HydrophobicContact CD1-CB 3.53Å; F168-A535 HydrophobicContact CD2-CB 3.6Å; F168-A535 HydrophobicContact CE1-CB 3.83Å; F168-A535 HydrophobicContact CE2-CB 3.89Å; F168-A535 HydrophobicContact CG-CB 3.4Å; F168-A535 VanDerWaalsContact CG-CB 3.4Å; F168-A535 HydrophobicContact CZ-CB 4Å; F168-F539 HydrophobicContact CE2-CB 4.03Å; F168-F539 HydrophobicContact CE2-CD1 4.45Å; F168-F539 AromaticContact CE2-CD2 3.66Å; F168-F539 HydrophobicContact CE2-CD2 3.66Å; F168-F539 HydrophobicContact CE2-CE2 4.18Å; F168-F539 AromaticContact CE2-CG 3.78Å; F168-F539 HydrophobicContact CE2-CG 3.78Å; F168-F539 AromaticContact CZ-CD2 3.54Å; F168-F539 HydrophobicContact CZ-CD2 3.54Å; F168-F539 AromaticContact CZ-CE2 3.64Å; F168-F539 HydrophobicContact CZ-CE2 3.64Å; F168-F539 HydrophobicContact CZ-CG 4.12Å; F168-F539 HydrophobicContact CZ-CZ 4.32Å; F168-F659 AromaticContact CE2-CE1 3.88Å; F168-F659 HydrophobicContact CE2-CE1 3.88Å
169	R	94.6	Very high	94.5	Very high	40 Å²	40	11.9 Å²	11.9	15%	0.151	6%	0.06	C	C	.	.	H	α-helix	trans	-58.6	-25.1	178.3	-177.5	176.1	-175.8	143.3	2.2	113.7	I159 W162 D163 P166 V171 G172 I173 V641	I159-R169 HydrophobicContact CG2-CG 4.13Å; W162-R169 VanDerWaalsContact CB-CA 3.43Å; W162-R169 HydrophobicContact CB-CB 3.81Å; W162-R169 HydrophobicContact CB-CG 4.28Å; D163-R169 IonicContact OD1-NH1 3.34Å; D163-R169 PolarHBondContact OD1-NH1 3.46Å; D163-R169 VanDerWaalsContact OD1-NH1 3.11Å; P166-R169 VanDerWaalsContact O-CB 3.25Å; P166-R169 WeakPolarHBondContact O-CB 3.09Å; P166-R169 PolarHBondContact O-N 3.17Å; P166-R169 VanDerWaalsContact O-N 3.15Å; R169-V171 PolarHBondContact O-N 3.44Å; R169-G172 PolarHBondContact O-N 3.22Å; R169-I173 PolarHBondContact O-N 3.16Å; R169-V641 HydrophobicContact CB-CG1 3.97Å
170	G	96.7	Very high	94.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-60.3	-27.7	171.2	0	0	0	0	0	114.1	F168 I173 A174 M637	F168-G170 PolarHBondContact O-N 2.94Å; F168-G170 VanDerWaalsContact O-N 3.07Å; G170-I173 PolarHBondContact O-N 3.47Å; G170-A174 WeakPolarHBondContact O-CB 3.47Å; G170-A174 PolarHBondContact O-N 3.35Å; G170-M637 VanDerWaalsContact CA-O 3.31Å; G170-M637 WeakPolarHBondContact CA-O 3.43Å
171	V	97.5	Very high	94.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.7	-52	173.7	178.5	0	0	0	0	109.6	W162 F168 R169 I173 A174 Q175 F531 Q532 I638	W162-V171 HydrophobicContact CH2-CB 4.45Å; W162-V171 HydrophobicContact CH2-CG1 4.32Å; W162-V171 HydrophobicContact CZ2-CB 3.72Å; W162-V171 HydrophobicContact CZ2-CG1 3.49Å; W162-V171 VanDerWaalsContact CZ2-CG1 3.49Å; W162-V171 HydrophobicContact CZ2-CG2 4.43Å; F168-V171 HydrophobicContact CB-CG2 4.21Å; F168-V171 HydrophobicContact CD1-CG2 4.15Å; F168-V171 VanDerWaalsContact O-CB 3.22Å; F168-V171 WeakPolarHBondContact O-CB 3.25Å; F168-V171 WeakPolarHBondContact O-CG2 3.44Å; F168-V171 PolarHBondContact O-N 3.21Å; R169-V171 PolarHBondContact O-N 3.44Å; V171-I173 VanDerWaalsContact C-N 3.29Å; V171-I173 PolarHBondContact O-N 2.92Å; V171-A174 WeakPolarHBondContact O-CB 3.31Å; V171-A174 PolarHBondContact O-N 3.16Å; V171-A174 VanDerWaalsContact O-N 3.07Å; V171-Q175 WeakPolarHBondContact O-CG 3.38Å; V171-Q175 PolarHBondContact O-N 3.4Å; V171-F531 HydrophobicContact CG2-CB 3.72Å; V171-Q532 HydrophobicContact CG1-CB 3.89Å; V171-I638 HydrophobicContact CG2-CD1 4.3Å; V171-I638 HydrophobicContact CG2-CG1 4.2Å; V171-I638 HydrophobicContact CG2-CG2 4.35Å
172	G	97.3	Very high	94.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.7	-36.4	178.8	0	0	0	0	0	113.6	A158 W162 R169 Q175 V176	A158-G172 VanDerWaalsContact O-CA 3.25Å; A158-G172 WeakPolarHBondContact O-CA 3.25Å; W162-G172 VanDerWaalsContact NE1-CA 3.33Å; R169-G172 PolarHBondContact O-N 3.22Å; G172-Q175 PolarHBondContact O-N 3.44Å; G172-V176 WeakPolarHBondContact O-CG2 3.25Å; G172-V176 PolarHBondContact O-N 3.43Å; G172-V176 VanDerWaalsContact O-N 3.14Å
173	I	97.4	Very high	94.5	Very high	42 Å²	42	15.1 Å²	15.1	22%	0.215	8%	0.077	C	C	.	.	H	α-helix	trans	-66.2	-44	174.5	-59.9	175.1	0	0	0	110.2	I159 R169 G170 V171 Q175 V176 I177 M637 V641	I159-I173 HydrophobicContact CD1-CG1 4.17Å; I159-I173 HydrophobicContact CG1-CG1 4.04Å; I159-I173 HydrophobicContact CG2-CG1 4.18Å; R169-I173 PolarHBondContact O-N 3.16Å; G170-I173 PolarHBondContact O-N 3.47Å; V171-I173 VanDerWaalsContact C-N 3.29Å; V171-I173 PolarHBondContact O-N 2.92Å; I173-Q175 VanDerWaalsContact C-N 3.33Å; I173-Q175 PolarHBondContact O-N 3.03Å; I173-V176 PolarHBondContact O-N 3.29Å; I173-I177 HydrophobicContact CG2-CD1 3.85Å; I173-I177 HydrophobicContact CG2-CG1 4.37Å; I173-I177 WeakPolarHBondContact O-CG1 3.34Å; I173-I177 PolarHBondContact O-N 3.49Å; I173-M637 HydrophobicContact CB-CB 4.18Å; I173-M637 HydrophobicContact CB-CG 4.4Å; I173-M637 HydrophobicContact CG2-CB 4.06Å; I173-M637 HydrophobicContact CG2-CG 3.72Å; I173-M637 HydrophobicContact CG2-SD 4.14Å; I173-V641 HydrophobicContact CD1-CG2 4Å
174	A	97.5	Very high	94.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.7	-46.1	176.3	0	0	0	0	0	111.3	G170 V171 V176 I177 I178 S634 I638	G170-A174 WeakPolarHBondContact O-CB 3.47Å; G170-A174 PolarHBondContact O-N 3.35Å; V171-A174 WeakPolarHBondContact O-CB 3.31Å; V171-A174 PolarHBondContact O-N 3.16Å; V171-A174 VanDerWaalsContact O-N 3.07Å; A174-V176 PolarHBondContact O-N 3.31Å; A174-I177 PolarHBondContact O-N 3Å; A174-I178 WeakPolarHBondContact O-CB 3.35Å; A174-I178 WeakPolarHBondContact O-CD1 3.49Å; A174-I178 WeakPolarHBondContact O-CG1 3.28Å; A174-I178 PolarHBondContact O-N 3.25Å; A174-S634 WeakPolarHBondContact CB-O 3.44Å; A174-I638 HydrophobicContact CB-CD1 4.46Å; A174-I638 HydrophobicContact CB-CG1 4.29Å
175	Q	96.8	Very high	94.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.7	-46.2	176.9	-61.6	-175.6	-66.7	0	0	112.1	A158 V171 G172 I173 I178 S179 G362	A158-Q175 HydrophobicContact CB-CB 4.47Å; V171-Q175 WeakPolarHBondContact O-CG 3.38Å; V171-Q175 PolarHBondContact O-N 3.4Å; G172-Q175 PolarHBondContact O-N 3.44Å; I173-Q175 VanDerWaalsContact C-N 3.33Å; I173-Q175 PolarHBondContact O-N 3.03Å; Q175-I178 PolarHBondContact O-N 3.31Å; Q175-S179 WeakPolarHBondContact O-CB 3.19Å; Q175-S179 PolarHBondContact O-N 3.47Å; Q175-S179 PolarHBondContact O-OG 2.73Å; Q175-S179 VanDerWaalsContact O-OG 3.12Å; Q175-G362 WeakPolarHBondContact CG-O 3.28Å; Q175-G362 PolarHBondContact NE2-O 2.62Å
176	V	97.2	Very high	95	Very high	14 Å²	14	14.5 Å²	14.5	9%	0.085	7%	0.07	C	C	.	.	H	α-helix	trans	-64.2	-42.7	179	170.1	0	0	0	0	111.8	A158 I159 G172 I173 A174 Y180 V467 A470	A158-V176 HydrophobicContact CB-CG2 4.1Å; I159-V176 HydrophobicContact CD1-CB 4.23Å; I159-V176 HydrophobicContact CD1-CG1 4.4Å; I159-V176 HydrophobicContact CD1-CG2 3.88Å; I159-V176 HydrophobicContact CG1-CG2 3.86Å; G172-V176 WeakPolarHBondContact O-CG2 3.25Å; G172-V176 PolarHBondContact O-N 3.43Å; G172-V176 VanDerWaalsContact O-N 3.14Å; I173-V176 PolarHBondContact O-N 3.29Å; A174-V176 PolarHBondContact O-N 3.31Å; V176-Y180 VanDerWaalsContact O-CB 3.27Å; V176-Y180 WeakPolarHBondContact O-CB 3.5Å; V176-Y180 PolarHBondContact O-N 3.14Å; V176-V467 HydrophobicContact CG1-CB 4.39Å; V176-V467 HydrophobicContact CG1-CG1 4.04Å; V176-V467 HydrophobicContact CG1-CG2 4.24Å; V176-A470 HydrophobicContact CG2-CB 3.44Å; V176-A470 VanDerWaalsContact CG2-CB 3.44Å
177	I	96.4	Very high	95.3	Very high	41 Å²	41	14.2 Å²	14.2	21%	0.21	7%	0.068	C	C	.	.	H	α-helix	trans	-63.5	-46.9	176.5	-66.5	170.4	0	0	0	110	I173 A174 Y180 T181 M637	I173-I177 HydrophobicContact CG2-CD1 3.85Å; I173-I177 HydrophobicContact CG2-CG1 4.37Å; I173-I177 WeakPolarHBondContact O-CG1 3.34Å; I173-I177 PolarHBondContact O-N 3.49Å; A174-I177 PolarHBondContact O-N 3Å; I177-Y180 PolarHBondContact O-N 2.94Å; I177-T181 HydrophobicContact CG2-CG2 4.32Å; I177-T181 VanDerWaalsContact O-CG2 3.26Å; I177-T181 WeakPolarHBondContact O-CG2 3.42Å; I177-T181 PolarHBondContact O-N 3.04Å; I177-T181 PolarHBondContact O-OG1 2.93Å; I177-T181 VanDerWaalsContact O-OG1 3.12Å; I177-M637 HydrophobicContact CD1-CG 3.89Å
178	I	95.9	Very high	95.6	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-58.7	-52.8	178.8	-67.6	160.7	0	0	0	110	A174 Q175 Y180 T181 V182 F363 A521 A524	A174-I178 WeakPolarHBondContact O-CB 3.35Å; A174-I178 WeakPolarHBondContact O-CD1 3.49Å; A174-I178 WeakPolarHBondContact O-CG1 3.28Å; A174-I178 PolarHBondContact O-N 3.25Å; Q175-I178 PolarHBondContact O-N 3.31Å; I178-Y180 VanDerWaalsContact C-N 3.34Å; I178-Y180 PolarHBondContact O-N 2.74Å; I178-T181 WeakPolarHBondContact CA-OG1 3.46Å; I178-T181 PolarHBondContact O-N 2.78Å; I178-T181 VanDerWaalsContact O-N 3.11Å; I178-T181 PolarHBondContact O-OG1 3.41Å; I178-V182 WeakPolarHBondContact O-CG2 3.3Å; I178-V182 PolarHBondContact O-N 2.76Å; I178-F363 HydrophobicContact CG2-CD1 3.88Å; I178-F363 HydrophobicContact CG2-CE1 3.62Å; I178-A521 HydrophobicContact CG2-CB 4.47Å; I178-A524 HydrophobicContact CD1-CB 3.8Å; I178-A524 HydrophobicContact CG1-CB 4.05Å
179	S	96.2	Very high	95.7	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	6%	0.064	C	C	.	.	H	α-helix	trans	-58.3	-42.4	178.4	-68.2	0	0	0	0	113.1	Q175 T181 A183 F363 S466	Q175-S179 WeakPolarHBondContact O-CB 3.19Å; Q175-S179 PolarHBondContact O-N 3.47Å; Q175-S179 PolarHBondContact O-OG 2.73Å; Q175-S179 VanDerWaalsContact O-OG 3.12Å; S179-T181 VanDerWaalsContact C-N 3.35Å; S179-A183 WeakPolarHBondContact O-CB 3.44Å; S179-A183 PolarHBondContact O-N 3.26Å; S179-F363 WeakPolarHBondContact OG-CB 3.47Å; S179-F363 WeakPolarHBondContact OG-CD1 3.48Å; S179-F363 PolarHBondContact OG-O 2.97Å; S179-S466 VanDerWaalsContact CB-OG 3.29Å; S179-S466 WeakPolarHBondContact CB-OG 3.3Å; S179-S466 PolarHBondContact OG-OG 2.55Å
180	Y	96.5	Very high	95.8	Very high	46 Å²	46	11.4 Å²	11.4	18%	0.18	6%	0.057	C	C	.	.	H	α-helix	trans	-62.9	-42.1	175.8	-179.1	-104.7	0	0	0	111.9	V176 I177 I178 A183 F184 V467 V493 S496 A497 F500	V176-Y180 VanDerWaalsContact O-CB 3.27Å; V176-Y180 WeakPolarHBondContact O-CB 3.5Å; V176-Y180 PolarHBondContact O-N 3.14Å; I177-Y180 PolarHBondContact O-N 2.94Å; I178-Y180 VanDerWaalsContact C-N 3.34Å; I178-Y180 PolarHBondContact O-N 2.74Å; Y180-A183 WeakPolarHBondContact O-CB 3.33Å; Y180-A183 PolarHBondContact O-N 3.23Å; Y180-F184 HydrophobicContact CD1-CE1 4.46Å; Y180-F184 HydrophobicContact CE1-CD1 4.39Å; Y180-F184 HydrophobicContact CE1-CE1 4.41Å; Y180-F184 WeakPolarHBondContact O-CD1 3.37Å; Y180-V467 HydrophobicContact CD2-CG1 4.32Å; Y180-V493 HydrophobicContact CD2-CG1 4.18Å; Y180-V493 HydrophobicContact CE2-CG1 4.24Å; Y180-S496 VanDerWaalsContact OH-CB 3.24Å; Y180-S496 WeakPolarHBondContact OH-CB 3.46Å; Y180-S496 PolarHBondContact OH-OG 3.06Å; Y180-A497 HydrophobicContact CE2-CB 4.04Å; Y180-F500 HydrophobicContact CE1-CD2 4.21Å; Y180-F500 HydrophobicContact CE1-CE2 4.3Å; Y180-F500 WeakPolarHBondContact OH-CD2 3.28Å; Y180-F500 WeakPolarHBondContact OH-CE2 3.32Å
181	T	94.9	Very high	95.9	Very high	17 Å²	17	11.3 Å²	11.3	10%	0.104	6%	0.057	C	C	.	.	H	α-helix	trans	-68.9	-43.3	-179.3	57	0	0	0	0	113.3	I177 I178 S179 A183 F184 Y185 M520	I177-T181 HydrophobicContact CG2-CG2 4.32Å; I177-T181 VanDerWaalsContact O-CG2 3.26Å; I177-T181 WeakPolarHBondContact O-CG2 3.42Å; I177-T181 PolarHBondContact O-N 3.04Å; I177-T181 PolarHBondContact O-OG1 2.93Å; I177-T181 VanDerWaalsContact O-OG1 3.12Å; I178-T181 WeakPolarHBondContact CA-OG1 3.46Å; I178-T181 PolarHBondContact O-N 2.78Å; I178-T181 VanDerWaalsContact O-N 3.11Å; I178-T181 PolarHBondContact O-OG1 3.41Å; S179-T181 VanDerWaalsContact C-N 3.35Å; T181-A183 VanDerWaalsContact C-N 3.25Å; T181-A183 PolarHBondContact O-N 3.11Å; T181-F184 VanDerWaalsContact CA-CE1 3.43Å; T181-F184 HydrophobicContact CG2-CE1 3.95Å; T181-F184 HydrophobicContact CG2-CZ 4.23Å; T181-F184 WeakPolarHBondContact O-CD1 3.41Å; T181-F184 PolarHBondContact O-N 3.34Å; T181-Y185 WeakPolarHBondContact O-CD1 3.36Å; T181-M520 HydrophobicContact CG2-CE 3.25Å
182	V	94.9	Very high	95.9	Very high	22 Å²	22	11.3 Å²	11.3	13%	0.133	6%	0.057	C	C	.	.	H	α-helix	trans	-59.7	-39.1	173.1	175.7	0	0	0	0	111.4	I178 F184 Y185 Y186 F363 A521	I178-V182 WeakPolarHBondContact O-CG2 3.3Å; I178-V182 PolarHBondContact O-N 2.76Å; V182-F184 VanDerWaalsContact C-N 3.27Å; V182-F184 PolarHBondContact O-N 3.26Å; V182-Y185 VanDerWaalsContact CA-CE1 3.43Å; V182-Y185 HydrophobicContact CB-CE1 4.15Å; V182-Y185 HydrophobicContact CG2-CE1 3.81Å; V182-Y185 PolarHBondContact O-N 3.11Å; V182-Y186 HydrophobicContact CG1-CG 4.34Å; V182-Y186 WeakPolarHBondContact O-CB 3.49Å; V182-Y186 PolarHBondContact O-N 3.07Å; V182-F363 HydrophobicContact CB-CE1 4.21Å; V182-F363 HydrophobicContact CG1-CE1 4.47Å; V182-F363 HydrophobicContact CG2-CE1 3.71Å; V182-F363 HydrophobicContact CG2-CZ 4.24Å; V182-A521 HydrophobicContact CG2-CB 3.45Å; V182-A521 VanDerWaalsContact CG2-CB 3.45Å
183	A	93.5	Very high	96	Very high	6 Å²	6	11.3 Å²	11.3	5%	0.05	6%	0.057	C	C	.	.	H	α-helix	trans	-57.6	-36.5	-178.7	0	0	0	0	0	113.3	S179 Y180 T181 N187 L464	S179-A183 WeakPolarHBondContact O-CB 3.44Å; S179-A183 PolarHBondContact O-N 3.26Å; Y180-A183 WeakPolarHBondContact O-CB 3.33Å; Y180-A183 PolarHBondContact O-N 3.23Å; T181-A183 VanDerWaalsContact C-N 3.25Å; T181-A183 PolarHBondContact O-N 3.11Å; A183-N187 WeakPolarHBondContact O-CB 3.28Å; A183-N187 PolarHBondContact O-ND2 3.31Å; A183-L464 HydrophobicContact CB-CD1 4.27Å; A183-L464 HydrophobicContact CB-CD2 3.59Å; A183-L464 HydrophobicContact CB-CG 3.71Å
184	F	90.5	Very high	96	Very high	13 Å²	13	9.6 Å²	9.6	6%	0.057	5%	0.048	C	C	.	.	H	α-helix	trans	-85.8	-31.4	-177.7	65.9	-112.6	0	0	0	114.7	Y180 T181 V182 T188 A497 F500 A501 M516 M520	Y180-F184 HydrophobicContact CD1-CE1 4.46Å; Y180-F184 HydrophobicContact CE1-CD1 4.39Å; Y180-F184 HydrophobicContact CE1-CE1 4.41Å; Y180-F184 WeakPolarHBondContact O-CD1 3.37Å; T181-F184 VanDerWaalsContact CA-CE1 3.43Å; T181-F184 HydrophobicContact CG2-CE1 3.95Å; T181-F184 HydrophobicContact CG2-CZ 4.23Å; T181-F184 WeakPolarHBondContact O-CD1 3.41Å; T181-F184 PolarHBondContact O-N 3.34Å; V182-F184 VanDerWaalsContact C-N 3.27Å; V182-F184 PolarHBondContact O-N 3.26Å; F184-T188 PolarHBondContact O-OG1 3.31Å; F184-A497 HydrophobicContact CB-CB 4.24Å; F184-A497 WeakPolarHBondContact CB-O 3.5Å; F184-F500 HydrophobicContact CB-CB 4.11Å; F184-F500 HydrophobicContact CD1-CB 3.89Å; F184-F500 HydrophobicContact CD2-CB 4.13Å; F184-F500 HydrophobicContact CE1-CB 4.26Å; F184-F500 HydrophobicContact CG-CB 3.81Å; F184-A501 HydrophobicContact CB-CB 4.17Å; F184-A501 WeakPolarHBondContact O-CB 3.28Å; F184-M516 HydrophobicContact CD2-SD 4.42Å; F184-M516 HydrophobicContact CE2-CE 3.79Å; F184-M516 HydrophobicContact CE2-SD 3.66Å; F184-M516 HydrophobicContact CZ-CE 4.45Å; F184-M520 HydrophobicContact CE2-SD 4.49Å; F184-M520 HydrophobicContact CZ-CE 3.96Å; F184-M520 HydrophobicContact CZ-SD 4.28Å
185	Y	93.5	Very high	96.1	Very high	7 Å²	7	11.1 Å²	11.1	3%	0.027	5%	0.054	C	C	.	.	H	α-helix	trans	-87.1	-39.8	177.5	80.4	-102.8	0	0	0	112.2	T181 V182 N187 T188 N504 F513 M516 D517 M520 A521	T181-Y185 WeakPolarHBondContact O-CD1 3.36Å; V182-Y185 VanDerWaalsContact CA-CE1 3.43Å; V182-Y185 HydrophobicContact CB-CE1 4.15Å; V182-Y185 HydrophobicContact CG2-CE1 3.81Å; V182-Y185 PolarHBondContact O-N 3.11Å; Y185-N187 PolarHBondContact O-N 2.62Å; Y185-T188 WeakPolarHBondContact O-CB 3.14Å; Y185-T188 PolarHBondContact O-N 3.44Å; Y185-T188 VanDerWaalsContact O-N 3.08Å; Y185-T188 PolarHBondContact O-OG1 3.42Å; Y185-T188 VanDerWaalsContact O-OG1 3.11Å; Y185-N504 WeakPolarHBondContact CA-ND2 3.42Å; Y185-F513 HydrophobicContact CD2-CD2 4.17Å; Y185-F513 AromaticContact CD2-CE2 3.89Å; Y185-F513 HydrophobicContact CD2-CE2 3.89Å; Y185-F513 WeakPolarHBondContact O-CE2 3.29Å; Y185-M516 HydrophobicContact CD1-CB 4Å; Y185-M516 HydrophobicContact CG-CB 4.01Å; Y185-D517 HydrophobicContact CD2-CB 4.48Å; Y185-D517 HydrophobicContact CE2-CB 3.97Å; Y185-D517 WeakPolarHBondContact CE2-OD1 2.9Å; Y185-M520 HydrophobicContact CD1-SD 4.14Å; Y185-M520 HydrophobicContact CE1-CB 4.27Å; Y185-M520 HydrophobicContact CE1-SD 4.37Å; Y185-A521 WeakPolarHBondContact OH-CB 3.34Å
186	Y	93.2	Very high	96.2	Very high	26 Å²	26	11.1 Å²	11.1	10%	0.102	5%	0.054	C	C	.	.	H	α-helix	trans	-69.2	-37.9	-176.9	-161.4	-114.2	0	0	0	112.2	D109 L110 W114 V182 T188 I189	D109-Y186 PolarHBondContact OD2-OH 2.97Å; L110-Y186 WeakPolarHBondContact CB-OH 3.43Å; L110-Y186 HydrophobicContact CD1-CE1 4.11Å; W114-Y186 HydrophobicContact CZ2-CE2 4.22Å; V182-Y186 HydrophobicContact CG1-CG 4.34Å; V182-Y186 WeakPolarHBondContact O-CB 3.49Å; V182-Y186 PolarHBondContact O-N 3.07Å; Y186-T188 PolarHBondContact O-N 2.69Å; Y186-T188 VanDerWaalsContact O-N 3.11Å; Y186-I189 HydrophobicContact CD2-CD1 3.5Å; Y186-I189 VanDerWaalsContact CD2-CD1 3.5Å; Y186-I189 HydrophobicContact CE2-CD1 3.72Å; Y186-I189 HydrophobicContact CG-CD1 4.11Å; Y186-I189 WeakPolarHBondContact O-CB 3.35Å; Y186-I189 WeakPolarHBondContact O-CD1 3.21Å; Y186-I189 WeakPolarHBondContact O-CG1 3.48Å; Y186-I189 PolarHBondContact O-N 3Å
187	N	96.4	Very high	96.2	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-67.4	-9.3	173.9	-77.2	-69.8	0	0	0	113.8	A183 Y185 I189 S190 A191 I284 F285	A183-N187 WeakPolarHBondContact O-CB 3.28Å; A183-N187 PolarHBondContact O-ND2 3.31Å; Y185-N187 PolarHBondContact O-N 2.62Å; N187-I189 VanDerWaalsContact C-N 3.26Å; N187-I189 PolarHBondContact O-N 2.89Å; N187-S190 WeakPolarHBondContact O-CB 3.46Å; N187-S190 PolarHBondContact O-N 3.13Å; N187-A191 PolarHBondContact O-N 2.93Å; N187-A191 VanDerWaalsContact O-N 3.1Å; N187-I284 HydrophobicContact CB-CG2 4.39Å; N187-F285 HydrophobicContact CB-CE2 3.96Å; N187-F285 HydrophobicContact CB-CZ 3.93Å
188	T	96.2	Very high	96.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65	-33.5	169.2	-54.4	0	0	0	0	110.9	F184 Y185 Y186 A191 W192 N504 V505	F184-T188 PolarHBondContact O-OG1 3.31Å; Y185-T188 WeakPolarHBondContact O-CB 3.14Å; Y185-T188 PolarHBondContact O-N 3.44Å; Y185-T188 VanDerWaalsContact O-N 3.08Å; Y185-T188 PolarHBondContact O-OG1 3.42Å; Y185-T188 VanDerWaalsContact O-OG1 3.11Å; Y186-T188 PolarHBondContact O-N 2.69Å; Y186-T188 VanDerWaalsContact O-N 3.11Å; T188-A191 WeakPolarHBondContact O-CB 3.42Å; T188-A191 PolarHBondContact O-N 3.19Å; T188-A191 VanDerWaalsContact O-N 3.13Å; T188-W192 HydrophobicContact CG2-CD2 4.31Å; T188-W192 HydrophobicContact CG2-CH2 4.34Å; T188-W192 HydrophobicContact CG2-CZ2 3.7Å; T188-W192 PolarHBondContact O-N 3.2Å; T188-N504 HydrophobicContact CG2-CB 3.81Å; T188-N504 WeakPolarHBondContact OG1-CB 3.48Å; T188-V505 HydrophobicContact CG2-CG1 4.02Å
189	I	96.5	Very high	96.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-45.8	175.2	-55.9	153.5	0	0	0	109.8	L110 W114 Y186 N187 A191 W192 S193 F428 F513	L110-I189 HydrophobicContact CD1-CB 4.13Å; L110-I189 HydrophobicContact CD1-CD1 4.25Å; L110-I189 HydrophobicContact CD1-CG2 3.79Å; W114-I189 HydrophobicContact CH2-CD1 3.18Å; W114-I189 HydrophobicContact CH2-CG1 3.72Å; W114-I189 HydrophobicContact CH2-CG2 4.17Å; W114-I189 HydrophobicContact CZ2-CD1 3.58Å; W114-I189 HydrophobicContact CZ3-CD1 4.13Å; W114-I189 HydrophobicContact CZ3-CG1 4.28Å; W114-I189 HydrophobicContact CZ3-CG2 4.02Å; Y186-I189 HydrophobicContact CD2-CD1 3.5Å; Y186-I189 VanDerWaalsContact CD2-CD1 3.5Å; Y186-I189 HydrophobicContact CE2-CD1 3.72Å; Y186-I189 HydrophobicContact CG-CD1 4.11Å; Y186-I189 WeakPolarHBondContact O-CB 3.35Å; Y186-I189 WeakPolarHBondContact O-CD1 3.21Å; Y186-I189 WeakPolarHBondContact O-CG1 3.48Å; Y186-I189 PolarHBondContact O-N 3Å; N187-I189 VanDerWaalsContact C-N 3.26Å; N187-I189 PolarHBondContact O-N 2.89Å; I189-A191 PolarHBondContact O-N 3.42Å; I189-W192 HydrophobicContact CG1-CE3 4.48Å; I189-W192 HydrophobicContact CG1-CZ3 4.37Å; I189-W192 WeakPolarHBondContact O-CB 3.34Å; I189-W192 PolarHBondContact O-N 2.93Å; I189-W192 VanDerWaalsContact O-N 3.13Å; I189-S193 PolarHBondContact O-N 3.05Å; I189-S193 PolarHBondContact O-OG 3.41Å; I189-F428 HydrophobicContact CG2-CE2 4.03Å; I189-F428 HydrophobicContact CG2-CZ 4.05Å; I189-F513 HydrophobicContact CD1-CE2 4.03Å; I189-F513 HydrophobicContact CD1-CZ 3.85Å; I189-F513 HydrophobicContact CG1-CE2 3.77Å; I189-F513 HydrophobicContact CG1-CZ 3.77Å
190	S	97.4	Very high	96.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-36.1	174.6	-51	0	0	0	0	112	N187 S193 L194 G456	N187-S190 WeakPolarHBondContact O-CB 3.46Å; N187-S190 PolarHBondContact O-N 3.13Å; S190-S193 PolarHBondContact O-N 3.27Å; S190-L194 WeakPolarHBondContact O-CB 3.39Å; S190-L194 PolarHBondContact O-N 2.91Å; S190-G456 WeakPolarHBondContact OG-CA 3.46Å
191	A	98.2	Very high	96.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-69.1	-39.2	175.5	0	0	0	0	0	112.5	N187 T188 I189 L194 Y195 C280 T281 I284	N187-A191 PolarHBondContact O-N 2.93Å; N187-A191 VanDerWaalsContact O-N 3.1Å; T188-A191 WeakPolarHBondContact O-CB 3.42Å; T188-A191 PolarHBondContact O-N 3.19Å; T188-A191 VanDerWaalsContact O-N 3.13Å; I189-A191 PolarHBondContact O-N 3.42Å; A191-L194 PolarHBondContact O-N 3.05Å; A191-Y195 PolarHBondContact O-N 3.4Å; A191-C280 HydrophobicContact CB-CB 4.16Å; A191-C280 WeakPolarHBondContact O-CB 3.47Å; A191-T281 WeakPolarHBondContact CB-OG1 3.34Å; A191-I284 HydrophobicContact CB-CG1 4.49Å
192	W	98.2	Very high	96.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-45.4	170.5	-63	-27.4	0	0	0	111.2	T188 I189 L194 Y195 F196 F254 L259 P424 F428 M510 F513	T188-W192 HydrophobicContact CG2-CD2 4.31Å; T188-W192 HydrophobicContact CG2-CH2 4.34Å; T188-W192 HydrophobicContact CG2-CZ2 3.7Å; T188-W192 PolarHBondContact O-N 3.2Å; I189-W192 HydrophobicContact CG1-CE3 4.48Å; I189-W192 HydrophobicContact CG1-CZ3 4.37Å; I189-W192 WeakPolarHBondContact O-CB 3.34Å; I189-W192 PolarHBondContact O-N 2.93Å; I189-W192 VanDerWaalsContact O-N 3.13Å; W192-L194 VanDerWaalsContact C-N 3.27Å; W192-L194 PolarHBondContact O-N 3.48Å; W192-Y195 WeakPolarHBondContact O-CB 3.29Å; W192-Y195 PolarHBondContact O-N 2.92Å; W192-Y195 VanDerWaalsContact O-N 3.14Å; W192-F196 WeakPolarHBondContact O-CD2 3.39Å; W192-F196 PolarHBondContact O-N 3.38Å; W192-F254 HydrophobicContact CD2-CE2 4.33Å; W192-F254 HydrophobicContact CD2-CZ 4.3Å; W192-F254 HydrophobicContact CE3-CE2 4.49Å; W192-F254 HydrophobicContact CE3-CZ 4.12Å; W192-F254 HydrophobicContact CG-CE2 4.42Å; W192-F254 HydrophobicContact CZ3-CZ 4.38Å; W192-L259 HydrophobicContact CZ2-CD2 4.08Å; W192-P424 HydrophobicContact CZ3-CB 4.08Å; W192-P424 HydrophobicContact CZ3-CG 4.01Å; W192-F428 HydrophobicContact CB-CD1 4.46Å; W192-F428 HydrophobicContact CB-CE1 3.77Å; W192-F428 HydrophobicContact CB-CE2 4.08Å; W192-F428 HydrophobicContact CB-CZ 3.55Å; W192-F428 HydrophobicContact CE3-CD2 4.28Å; W192-F428 AromaticContact CE3-CE2 3.76Å; W192-F428 HydrophobicContact CE3-CE2 3.76Å; W192-F428 HydrophobicContact CE3-CZ 4.33Å; W192-M510 HydrophobicContact CH2-SD 3.55Å; W192-M510 VanDerWaalsContact CH2-SD 3.55Å; W192-M510 HydrophobicContact CZ2-SD 4.28Å; W192-M510 HydrophobicContact CZ3-SD 4.21Å; W192-F513 HydrophobicContact CH2-CB 4.41Å; W192-F513 HydrophobicContact CH2-CD1 4.15Å; W192-F513 HydrophobicContact CH2-CD2 4.17Å; W192-F513 AromaticContact CH2-CG 3.96Å; W192-F513 HydrophobicContact CH2-CG 3.96Å
193	S	98.3	Very high	96.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-39.8	175.3	-59.5	0	0	0	0	111.9	I189 S190 F196 L197 F428 L452	I189-S193 PolarHBondContact O-N 3.05Å; I189-S193 PolarHBondContact O-OG 3.41Å; S190-S193 PolarHBondContact O-N 3.27Å; S193-F196 PolarHBondContact O-N 3.47Å; S193-L197 WeakPolarHBondContact O-CB 3.49Å; S193-L197 PolarHBondContact O-N 3.21Å; S193-F428 WeakPolarHBondContact OG-CZ 3.19Å; S193-L452 WeakPolarHBondContact OG-CB 3.46Å
194	L	98.5	Very high	96.2	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-65	-41.2	175	-178.1	64.4	0	0	0	112.9	S190 A191 W192 F196 L197 F198 C280 F283 I284 I453	S190-L194 WeakPolarHBondContact O-CB 3.39Å; S190-L194 PolarHBondContact O-N 2.91Å; A191-L194 PolarHBondContact O-N 3.05Å; W192-L194 VanDerWaalsContact C-N 3.27Å; W192-L194 PolarHBondContact O-N 3.48Å; L194-F196 VanDerWaalsContact C-N 3.33Å; L194-F196 PolarHBondContact O-N 3.33Å; L194-L197 HydrophobicContact CD1-CD2 4.31Å; L194-L197 WeakPolarHBondContact O-CB 3.41Å; L194-L197 PolarHBondContact O-N 3.23Å; L194-F198 HydrophobicContact CD1-CD2 4.27Å; L194-F198 HydrophobicContact CD1-CE1 4.41Å; L194-F198 HydrophobicContact CD1-CE2 3.69Å; L194-F198 HydrophobicContact CD1-CZ 3.76Å; L194-F198 HydrophobicContact CD2-CE2 4.01Å; L194-F198 HydrophobicContact CD2-CZ 4.5Å; L194-F198 HydrophobicContact CG-CD2 4.07Å; L194-F198 HydrophobicContact CG-CE2 3.56Å; L194-F198 HydrophobicContact CG-CZ 4.14Å; L194-F198 VanDerWaalsContact O-CD2 3.31Å; L194-F198 WeakPolarHBondContact O-CD2 3.44Å; L194-F198 PolarHBondContact O-N 2.84Å; L194-C280 HydrophobicContact CB-CB 4.36Å; L194-C280 HydrophobicContact CD2-CB 3.99Å; L194-C280 HydrophobicContact CG-CB 4.35Å; L194-F283 HydrophobicContact CD1-CD1 4.34Å; L194-F283 HydrophobicContact CD1-CE1 4.44Å; L194-F283 HydrophobicContact CD2-CB 3.91Å; L194-F283 HydrophobicContact CD2-CD1 3.42Å; L194-F283 VanDerWaalsContact CD2-CD1 3.42Å; L194-F283 HydrophobicContact CD2-CE1 4.29Å; L194-F283 HydrophobicContact CD2-CG 4.04Å; L194-I284 HydrophobicContact CB-CD1 4.24Å; L194-I284 HydrophobicContact CB-CG1 4.42Å; L194-I284 HydrophobicContact CD2-CD1 4.01Å; L194-I284 HydrophobicContact CD2-CG1 3.94Å; L194-I453 HydrophobicContact CB-CD1 4.16Å; L194-I453 HydrophobicContact CD1-CD1 4.12Å
195	Y	98.6	Very high	96.5	Very high	32 Å²	32	33 Å²	33	13%	0.125	17%	0.168	C	C	.	.	H	α-helix	trans	-58.4	-47.8	173.1	177.7	-85.5	0	0	0	111	A191 W192 L197 F198 V199 Y253 V258 Q276 L277	A191-Y195 PolarHBondContact O-N 3.4Å; W192-Y195 WeakPolarHBondContact O-CB 3.29Å; W192-Y195 PolarHBondContact O-N 2.92Å; W192-Y195 VanDerWaalsContact O-N 3.14Å; Y195-L197 VanDerWaalsContact C-N 3.33Å; Y195-L197 PolarHBondContact O-N 3.24Å; Y195-F198 PolarHBondContact O-N 3.41Å; Y195-V199 HydrophobicContact CE1-CG1 4.07Å; Y195-V199 HydrophobicContact CE1-CG2 4.36Å; Y195-V199 PolarHBondContact O-N 3.37Å; Y195-Y253 HydrophobicContact CE1-CE1 4.27Å; Y195-V258 HydrophobicContact CD1-CG1 3.96Å; Y195-V258 HydrophobicContact CD1-CG2 3.93Å; Y195-V258 HydrophobicContact CE1-CB 4.3Å; Y195-V258 HydrophobicContact CE1-CG1 4.08Å; Y195-V258 HydrophobicContact CE1-CG2 3.41Å; Y195-V258 VanDerWaalsContact CE1-CG2 3.41Å; Y195-V258 HydrophobicContact CG-CG1 4.44Å; Y195-Q276 HydrophobicContact CD2-CB 4.09Å; Y195-Q276 HydrophobicContact CE2-CB 3.85Å; Y195-Q276 HydrophobicContact CE2-CG 4.35Å; Y195-L277 HydrophobicContact CD2-CD2 4.07Å; Y195-L277 HydrophobicContact CG-CD2 4.05Å
196	F	98.6	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-35.2	177.5	-88.4	-99.1	0	0	0	112.6	W192 S193 L194 S200 W207 Y253 F254 V258 F428 P432 F449	W192-F196 WeakPolarHBondContact O-CD2 3.39Å; W192-F196 PolarHBondContact O-N 3.38Å; S193-F196 PolarHBondContact O-N 3.47Å; L194-F196 VanDerWaalsContact C-N 3.33Å; L194-F196 PolarHBondContact O-N 3.33Å; F196-S200 WeakPolarHBondContact O-CB 3.4Å; F196-S200 PolarHBondContact O-N 3.31Å; F196-S200 PolarHBondContact O-OG 3.14Å; F196-W207 HydrophobicContact CD1-CD2 4.41Å; F196-W207 AromaticContact CD1-CE3 3.66Å; F196-W207 HydrophobicContact CD1-CE3 3.66Å; F196-W207 AromaticContact CD1-CH2 3.89Å; F196-W207 HydrophobicContact CD1-CH2 3.89Å; F196-W207 AromaticContact CD1-CZ3 3.34Å; F196-W207 HydrophobicContact CD1-CZ3 3.34Å; F196-W207 HydrophobicContact CE1-CD2 4.24Å; F196-W207 AromaticContact CE1-CE3 3.7Å; F196-W207 HydrophobicContact CE1-CE3 3.7Å; F196-W207 AromaticContact CE1-CZ3 3.91Å; F196-W207 HydrophobicContact CE1-CZ3 3.91Å; F196-W207 HydrophobicContact CG-CZ3 4.29Å; F196-Y253 AromaticContact CE1-CD1 3.91Å; F196-Y253 HydrophobicContact CE1-CD1 3.91Å; F196-Y253 AromaticContact CE1-CE1 3.92Å; F196-Y253 HydrophobicContact CE1-CE1 3.92Å; F196-Y253 AromaticContact CZ-CD1 3.85Å; F196-Y253 HydrophobicContact CZ-CD1 3.85Å; F196-Y253 AromaticContact CZ-CE1 3.97Å; F196-Y253 HydrophobicContact CZ-CE1 3.97Å; F196-F254 AromaticContact CE2-CD2 3.81Å; F196-F254 HydrophobicContact CE2-CD2 3.81Å; F196-F254 HydrophobicContact CE2-CE2 4.35Å; F196-F254 HydrophobicContact CZ-CB 4.45Å; F196-F254 HydrophobicContact CZ-CD2 4.02Å; F196-V258 HydrophobicContact CE2-CG1 4.47Å; F196-V258 HydrophobicContact CE2-CG2 4Å; F196-V258 HydrophobicContact CZ-CG2 4.23Å; F196-F428 AromaticContact CD2-CD1 3.61Å; F196-F428 HydrophobicContact CD2-CD1 3.61Å; F196-F428 HydrophobicContact CD2-CE1 4.03Å; F196-F428 HydrophobicContact CE2-CB 4.21Å; F196-F428 AromaticContact CE2-CD1 3.59Å; F196-F428 HydrophobicContact CE2-CD1 3.59Å; F196-F428 HydrophobicContact CE2-CE1 4.38Å; F196-F428 HydrophobicContact CE2-CG 4.23Å; F196-F428 HydrophobicContact CG-CD1 4.15Å; F196-F428 HydrophobicContact CZ-CB 4.11Å; F196-F428 HydrophobicContact CZ-CD1 4.11Å; F196-P432 HydrophobicContact CE1-CG 4.3Å; F196-F449 HydrophobicContact CB-CD1 3.56Å; F196-F449 HydrophobicContact CB-CD2 3.68Å; F196-F449 HydrophobicContact CB-CE1 3.43Å; F196-F449 VanDerWaalsContact CB-CE1 3.43Å; F196-F449 HydrophobicContact CB-CE2 3.58Å; F196-F449 HydrophobicContact CB-CG 3.69Å; F196-F449 HydrophobicContact CB-CZ 3.44Å; F196-F449 VanDerWaalsContact CB-CZ 3.44Å; F196-F449 AromaticContact CD1-CE1 3.91Å; F196-F449 HydrophobicContact CD1-CE1 3.91Å; F196-F449 AromaticContact CD1-CE2 3.7Å; F196-F449 HydrophobicContact CD1-CE2 3.7Å; F196-F449 AromaticContact CD1-CZ 3.25Å; F196-F449 HydrophobicContact CD1-CZ 3.25Å; F196-F449 HydrophobicContact CE1-CZ 4.14Å; F196-F449 HydrophobicContact CG-CD1 4.34Å; F196-F449 AromaticContact CG-CE1 3.72Å; F196-F449 HydrophobicContact CG-CE1 3.72Å; F196-F449 HydrophobicContact CG-CE2 4.04Å; F196-F449 AromaticContact CG-CZ 3.54Å; F196-F449 HydrophobicContact CG-CZ 3.54Å
197	L	98.3	Very high	96.8	Very high	24 Å²	24	32.1 Å²	32.1	13%	0.126	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-48.8	173.7	-179.2	65.7	0	0	0	111	S193 L194 Y195 V199 S200 T446 F449 M450 I453	S193-L197 WeakPolarHBondContact O-CB 3.49Å; S193-L197 PolarHBondContact O-N 3.21Å; L194-L197 HydrophobicContact CD1-CD2 4.31Å; L194-L197 WeakPolarHBondContact O-CB 3.41Å; L194-L197 PolarHBondContact O-N 3.23Å; Y195-L197 VanDerWaalsContact C-N 3.33Å; Y195-L197 PolarHBondContact O-N 3.24Å; L197-V199 PolarHBondContact O-N 3.27Å; L197-S200 VanDerWaalsContact O-CB 3.3Å; L197-S200 WeakPolarHBondContact O-CB 3.28Å; L197-S200 PolarHBondContact O-N 3.35Å; L197-S200 VanDerWaalsContact O-N 3.13Å; L197-T446 HydrophobicContact CD1-CG2 3.69Å; L197-F449 HydrophobicContact CB-CB 4Å; L197-F449 HydrophobicContact CD1-CB 4.34Å; L197-M450 HydrophobicContact CD1-CB 4.48Å; L197-M450 HydrophobicContact CD2-SD 4.33Å; L197-I453 HydrophobicContact CB-CD1 4.05Å; L197-I453 HydrophobicContact CD2-CD1 3.56Å; L197-I453 HydrophobicContact CG-CD1 4.4Å
198	F	98	Very high	96.7	Very high	106 Å²	106	34.1 Å²	34.1	47%	0.465	18%	0.178	S	C	.	.	H	α-helix	trans	-61.4	-43.4	-180	-73.3	-47.6	0	0	0	112.7	L194 Y195 S200 I201	L194-F198 HydrophobicContact CD1-CD2 4.27Å; L194-F198 HydrophobicContact CD1-CE1 4.41Å; L194-F198 HydrophobicContact CD1-CE2 3.69Å; L194-F198 HydrophobicContact CD1-CZ 3.76Å; L194-F198 HydrophobicContact CD2-CE2 4.01Å; L194-F198 HydrophobicContact CD2-CZ 4.5Å; L194-F198 HydrophobicContact CG-CD2 4.07Å; L194-F198 HydrophobicContact CG-CE2 3.56Å; L194-F198 HydrophobicContact CG-CZ 4.14Å; L194-F198 VanDerWaalsContact O-CD2 3.31Å; L194-F198 WeakPolarHBondContact O-CD2 3.44Å; L194-F198 PolarHBondContact O-N 2.84Å; Y195-F198 PolarHBondContact O-N 3.41Å; F198-S200 PolarHBondContact O-N 2.88Å; F198-I201 PolarHBondContact O-N 2.92Å
199	V	97.3	Very high	96.6	Very high	30 Å²	30	37.9 Å²	37.9	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-79.8	-7.3	179.4	-50.7	0	0	0	0	113.1	Y195 L197 T202 P206 W207 Y253	Y195-V199 HydrophobicContact CE1-CG1 4.07Å; Y195-V199 HydrophobicContact CE1-CG2 4.36Å; Y195-V199 PolarHBondContact O-N 3.37Å; L197-V199 PolarHBondContact O-N 3.27Å; V199-T202 WeakPolarHBondContact O-CG2 3.38Å; V199-T202 PolarHBondContact O-OG1 3.14Å; V199-T202 VanDerWaalsContact O-OG1 3.13Å; V199-P206 HydrophobicContact CB-CG 4.01Å; V199-P206 HydrophobicContact CG2-CG 3.86Å; V199-W207 HydrophobicContact CG2-CE3 4.33Å; V199-W207 HydrophobicContact CG2-CZ3 3.65Å; V199-Y253 WeakPolarHBondContact CG2-OH 3.43Å
200	S	98	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-71.4	-20.8	168.4	-61	0	0	0	0	112.1	F196 L197 F198 T202 W207 P442 A445	F196-S200 WeakPolarHBondContact O-CB 3.4Å; F196-S200 PolarHBondContact O-N 3.31Å; F196-S200 PolarHBondContact O-OG 3.14Å; L197-S200 VanDerWaalsContact O-CB 3.3Å; L197-S200 WeakPolarHBondContact O-CB 3.28Å; L197-S200 PolarHBondContact O-N 3.35Å; L197-S200 VanDerWaalsContact O-N 3.13Å; F198-S200 PolarHBondContact O-N 2.88Å; S200-T202 PolarHBondContact O-N 3.22Å; S200-W207 WeakPolarHBondContact OG-CH2 3.23Å; S200-P442 WeakPolarHBondContact O-CB 3.09Å; S200-A445 WeakPolarHBondContact OG-CB 3.31Å
201	I	94.5	Very high	96.3	Very high	127 Å²	127	41.6 Å²	41.6	65%	0.651	22%	0.215	S	C	*	.	S	Bend	trans	-81.9	63.4	179	-48.6	170.9	0	0	0	109.1	F198	F198-I201 PolarHBondContact O-N 2.92Å
202	T	93.3	Very high	96	Very high	58 Å²	58	47.2 Å²	47.2	36%	0.356	24%	0.242	S	C	.	.	S	Bend	trans	-145.3	159.9	-179.8	58.6	0	0	0	0	109.7	V199 S200 I204 P442	V199-T202 WeakPolarHBondContact O-CG2 3.38Å; V199-T202 PolarHBondContact O-OG1 3.14Å; V199-T202 VanDerWaalsContact O-OG1 3.13Å; S200-T202 PolarHBondContact O-N 3.22Å; T202-I204 PolarHBondContact OG1-O 3.42Å; T202-P442 WeakPolarHBondContact O-CB 3.41Å; T202-P442 WeakPolarHBondContact O-CG 3.49Å
203	D	91.2	Very high	95.8	Very high	162 Å²	162	58.1 Å²	58.1	87%	0.866	28%	0.283	S	S	*	.	S	Bend	trans	-70.1	-38.6	176.6	-60.9	-39.5	0	0	0	112
204	I	94.8	Very high	95.5	Very high	111 Å²	111	61.2 Å²	61.2	57%	0.569	30%	0.295	S	S	*	.	S	Bend	trans	-124.2	115.2	178.5	-54.3	174	0	0	0	108.2	T202 Y209	T202-I204 PolarHBondContact OG1-O 3.42Å; I204-Y209 HydrophobicContact CB-CE1 4.39Å; I204-Y209 HydrophobicContact CG2-CD1 3.76Å; I204-Y209 HydrophobicContact CG2-CE1 3.67Å
205	L	97.5	Very high	95.1	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.021	31%	0.305	C	S	.	.			trans	-55.4	130.6	178.6	-69.3	175.7	0	0	0	111.1	W207 T208 Y209 A441 P442 A445	L205-W207 HydrophobicContact CB-CD2 4.27Å; L205-W207 HydrophobicContact CB-CZ2 4.13Å; L205-W207 HydrophobicContact CD1-CZ2 3.62Å; L205-W207 HydrophobicContact CD2-CH2 3.72Å; L205-W207 HydrophobicContact CD2-CZ2 3.6Å; L205-W207 HydrophobicContact CD2-CZ3 4.46Å; L205-W207 HydrophobicContact CG-CZ2 3.99Å; L205-W207 PolarHBondContact O-N 3.5Å; L205-W207 VanDerWaalsContact O-N 3.13Å; L205-T208 HydrophobicContact CB-CG2 3.84Å; L205-T208 PolarHBondContact O-N 3.35Å; L205-T208 PolarHBondContact O-OG1 2.94Å; L205-Y209 WeakPolarHBondContact O-CE1 3.16Å; L205-A441 HydrophobicContact CD1-CB 3.46Å; L205-A441 VanDerWaalsContact CD1-CB 3.46Å; L205-A441 HydrophobicContact CG-CB 4.31Å; L205-P442 HydrophobicContact CD2-CB 4.44Å; L205-P442 HydrophobicContact CD2-CG 4.34Å; L205-P442 HydrophobicContact CG-CG 4.24Å; L205-A445 HydrophobicContact CD1-CB 4.09Å; L205-A445 HydrophobicContact CD2-CB 4.01Å
206	P	96.8	Very high	94.8	Very high	11 Å²	11	61 Å²	61	7%	0.071	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.6	-169.7	28.4	-37	0	0	0	114.2	V199 R214 Y253	V199-P206 HydrophobicContact CB-CG 4.01Å; V199-P206 HydrophobicContact CG2-CG 3.86Å; P206-R214 PolarHBondContact O-NH1 3.35Å; P206-Y253 HydrophobicContact CB-CD2 4.4Å; P206-Y253 HydrophobicContact CB-CE2 3.61Å; P206-Y253 HydrophobicContact CG-CE1 4.36Å; P206-Y253 HydrophobicContact CG-CE2 3.85Å; P206-Y253 VanDerWaalsContact CG-OH 3.28Å; P206-Y253 WeakPolarHBondContact CG-OH 3.41Å
207	W	95.8	Very high	94.3	Very high	3 Å²	3	62.2 Å²	62.2	1%	0.011	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	3.4	178.1	58.1	78.5	0	0	0	114.1	F196 V199 S200 L205 A249 S250 Y253 P432 A445 F449	F196-W207 HydrophobicContact CD1-CD2 4.41Å; F196-W207 AromaticContact CD1-CE3 3.66Å; F196-W207 HydrophobicContact CD1-CE3 3.66Å; F196-W207 AromaticContact CD1-CH2 3.89Å; F196-W207 HydrophobicContact CD1-CH2 3.89Å; F196-W207 AromaticContact CD1-CZ3 3.34Å; F196-W207 HydrophobicContact CD1-CZ3 3.34Å; F196-W207 HydrophobicContact CE1-CD2 4.24Å; F196-W207 AromaticContact CE1-CE3 3.7Å; F196-W207 HydrophobicContact CE1-CE3 3.7Å; F196-W207 AromaticContact CE1-CZ3 3.91Å; F196-W207 HydrophobicContact CE1-CZ3 3.91Å; F196-W207 HydrophobicContact CG-CZ3 4.29Å; V199-W207 HydrophobicContact CG2-CE3 4.33Å; V199-W207 HydrophobicContact CG2-CZ3 3.65Å; S200-W207 WeakPolarHBondContact OG-CH2 3.23Å; L205-W207 HydrophobicContact CB-CD2 4.27Å; L205-W207 HydrophobicContact CB-CZ2 4.13Å; L205-W207 HydrophobicContact CD1-CZ2 3.62Å; L205-W207 HydrophobicContact CD2-CH2 3.72Å; L205-W207 HydrophobicContact CD2-CZ2 3.6Å; L205-W207 HydrophobicContact CD2-CZ3 4.46Å; L205-W207 HydrophobicContact CG-CZ2 3.99Å; L205-W207 PolarHBondContact O-N 3.5Å; L205-W207 VanDerWaalsContact O-N 3.13Å; W207-A249 CarbonylContact O-C 3.43Å; W207-A249 WeakPolarHBondContact O-CB 3.31Å; W207-S250 WeakPolarHBondContact O-CA 3.45Å; W207-S250 PolarHBondContact O-N 3.07Å; W207-Y253 HydrophobicContact CB-CD1 3.72Å; W207-Y253 HydrophobicContact CB-CD2 4.29Å; W207-Y253 HydrophobicContact CB-CE1 4.42Å; W207-Y253 HydrophobicContact CB-CG 3.63Å; W207-Y253 HydrophobicContact CE3-CD1 4.15Å; W207-Y253 AromaticContact CE3-CE1 3.82Å; W207-Y253 HydrophobicContact CE3-CE1 3.82Å; W207-P432 HydrophobicContact CD2-CB 4.17Å; W207-P432 HydrophobicContact CG-CB 4.09Å; W207-P432 HydrophobicContact CZ2-CB 4.38Å; W207-P432 PolarHBondContact NE1-O 3.04Å; W207-A445 HydrophobicContact CH2-CB 4.03Å; W207-A445 HydrophobicContact CZ2-CB 3.73Å; W207-F449 HydrophobicContact CH2-CD2 4.41Å; W207-F449 AromaticContact CH2-CE2 3.66Å; W207-F449 HydrophobicContact CH2-CE2 3.66Å; W207-F449 HydrophobicContact CH2-CZ 4.48Å; W207-F449 AromaticContact CZ2-CE2 3.99Å; W207-F449 HydrophobicContact CZ2-CE2 3.99Å; W207-F449 HydrophobicContact CZ3-CE2 4.43Å
208	T	95	Very high	93.7	Very high	42 Å²	42	67.3 Å²	67.3	26%	0.258	34%	0.336	S	S	.	.	S	Bend	trans	-92.4	-10.9	178.2	62.6	0	0	0	0	113.5	L205 N222	L205-T208 HydrophobicContact CB-CG2 3.84Å; L205-T208 PolarHBondContact O-N 3.35Å; L205-T208 PolarHBondContact O-OG1 2.94Å; T208-N222 WeakPolarHBondContact O-CB 3.29Å
209	Y	94.3	Very high	93.1	Very high	79 Å²	79	64.9 Å²	64.9	31%	0.31	33%	0.328	S	S	.	.	S	Bend	trans	-141.5	161.5	179.9	65.8	-85.3	0	0	0	111.4	I204 L205 D211 R214	I204-Y209 HydrophobicContact CB-CE1 4.39Å; I204-Y209 HydrophobicContact CG2-CD1 3.76Å; I204-Y209 HydrophobicContact CG2-CE1 3.67Å; L205-Y209 WeakPolarHBondContact O-CE1 3.16Å; Y209-D211 HydrophobicContact CD2-CB 4.46Å; Y209-D211 HydrophobicContact CE2-CB 4.13Å; Y209-R214 PolarHBondContact OH-NH2 3.08Å
210	C	93.3	Very high	92.7	Very high	44 Å²	44	64.1 Å²	64.1	30%	0.297	32%	0.324	S	S	.	.			trans	-96.9	129.3	-179.4	-59.6	0	0	0	0	110.8	N216 C220 V221	C210-N216 HydrophobicContact CB-CB 4.39Å; C210-C220 HydrophobicContact CB-CB 3.6Å; C210-C220 WeakPolarHBondContact CB-SG 3.38Å; C210-C220 VanDerWaalsContact SG-CA 3.59Å; C210-C220 WeakPolarHBondContact SG-CB 3.48Å; C210-C220 PolarHBondContact SG-O 3.09Å; C210-C220 CovalentContact SG-SG 2.03Å; C210-C220 PolarHBondContact SG-SG 3.22Å; C210-V221 VanDerWaalsContact SG-C 3.54Å; C210-V221 PolarHBondContact SG-N 3Å
211	D	94.2	Very high	92.2	Very high	34 Å²	34	64.6 Å²	64.6	18%	0.182	33%	0.327	C	S	.	.			trans	-132.4	108.5	172.5	-174.1	-7.1	0	0	0	110.2	Y209 R213 R214 G215 N216	Y209-D211 HydrophobicContact CD2-CB 4.46Å; Y209-D211 HydrophobicContact CE2-CB 4.13Å; D211-R213 PolarHBondContact O-N 2.9Å; D211-R213 WeakPolarHBondContact OD1-CB 3.38Å; D211-R213 PolarHBondContact OD1-N 2.94Å; D211-R213 IonicContact OD1-NE 3.85Å; D211-R213 IonicContact OD2-NE 3.46Å; D211-R213 IonicContact OD2-NH2 3.37Å; D211-R214 HydrophobicContact CB-CB 4.26Å; D211-R214 WeakPolarHBondContact O-CB 3.32Å; D211-R214 PolarHBondContact O-N 3.37Å; D211-G215 PolarHBondContact O-N 2.99Å; D211-N216 PolarHBondContact N-OD1 3.45Å; D211-N216 PolarHBondContact O-N 2.91Å; D211-N216 PolarHBondContact O-OD1 3.38Å
212	Q	91.5	Very high	92	Very high	119 Å²	119	61.1 Å²	61.1	56%	0.556	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-60.1	-30.7	-179.7	-67.5	177.6	-5.9	0	0	112.6	R214 G215	Q212-R214 PolarHBondContact O-N 2.96Å; Q212-G215 PolarHBondContact O-N 3.37Å
213	R	93.5	Very high	91.6	Very high	229 Å²	229	59.6 Å²	59.6	86%	0.864	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-65.4	-23.1	177.5	-60.4	-177.5	-65.2	-172.4	0.5	112	D211	D211-R213 PolarHBondContact O-N 2.9Å; D211-R213 WeakPolarHBondContact OD1-CB 3.38Å; D211-R213 PolarHBondContact OD1-N 2.94Å; D211-R213 IonicContact OD1-NE 3.85Å; D211-R213 IonicContact OD2-NE 3.46Å; D211-R213 IonicContact OD2-NH2 3.37Å
214	R	92.9	Very high	91.3	Very high	65 Å²	65	56.1 Å²	56.1	25%	0.245	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-85	-21.4	176.1	-159.5	-178.5	-62	143.1	-0.7	112.9	P206 Y209 D211 Q212 V257	P206-R214 PolarHBondContact O-NH1 3.35Å; Y209-R214 PolarHBondContact OH-NH2 3.08Å; D211-R214 HydrophobicContact CB-CB 4.26Å; D211-R214 WeakPolarHBondContact O-CB 3.32Å; D211-R214 PolarHBondContact O-N 3.37Å; Q212-R214 PolarHBondContact O-N 2.96Å; R214-V257 HydrophobicContact CB-CG2 4.3Å; R214-V257 HydrophobicContact CG-CB 4.36Å; R214-V257 HydrophobicContact CG-CG1 3.54Å; R214-V257 HydrophobicContact CG-CG2 3.9Å
215	G	90	Very high	90.8	Very high	25 Å²	25	55.5 Å²	55.5	26%	0.258	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	119.4	5.7	-179.1	0	0	0	0	0	115.1	D211 Q212	D211-G215 PolarHBondContact O-N 2.99Å; Q212-G215 PolarHBondContact O-N 3.37Å
216	N	91.5	Very high	89.8	Confident	9 Å²	9	57.9 Å²	57.9	5%	0.048	29%	0.286	C	S	.	.			trans	-63.2	148.2	169.8	-69.4	110.7	0	0	0	111.2	C210 D211 C220 E252	C210-N216 HydrophobicContact CB-CB 4.39Å; D211-N216 PolarHBondContact N-OD1 3.45Å; D211-N216 PolarHBondContact O-N 2.91Å; D211-N216 PolarHBondContact O-OD1 3.38Å; N216-C220 HydrophobicContact CB-CB 4.09Å; N216-E252 VanDerWaalsContact CA-OE2 3.25Å; N216-E252 WeakPolarHBondContact CA-OE2 3.43Å; N216-E252 WeakPolarHBondContact ND2-CB 3.32Å; N216-E252 PolarHBondContact ND2-OE2 3.27Å
217	S	88.6	Confident	88.7	Confident	25 Å²	25	60.6 Å²	60.6	18%	0.175	30%	0.298	C	S	.	.			trans	-76.2	167.6	176.9	88.2	0	0	0	0	111.9	N219 C220 E252	S217-N219 PolarHBondContact O-N 3.36Å; S217-N219 PolarHBondContact OG-N 2.95Å; S217-N219 VanDerWaalsContact OG-N 3.17Å; S217-C220 VanDerWaalsContact O-CB 3.28Å; S217-C220 WeakPolarHBondContact O-CB 3.19Å; S217-C220 PolarHBondContact O-N 3.33Å; S217-C220 PolarHBondContact OG-N 3.37Å; S217-E252 WeakPolarHBondContact CB-OE1 3.22Å; S217-E252 PolarHBondContact N-OE2 3.24Å; S217-E252 PolarHBondContact OG-OE1 2.87Å
218	I	86.6	Confident	87.9	Confident	131 Å²	131	63 Å²	63	67%	0.672	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-26	173.1	-171.6	63.5	0	0	0	112.7	C220	I218-C220 VanDerWaalsContact C-N 3.31Å
219	N	84.3	Confident	86.8	Confident	55 Å²	55	62.5 Å²	62.5	29%	0.294	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	5.4	-179.5	-62.4	-25.6	0	0	0	112.6	S217 V221 N245 Y246 S247	S217-N219 PolarHBondContact O-N 3.36Å; S217-N219 PolarHBondContact OG-N 2.95Å; S217-N219 VanDerWaalsContact OG-N 3.17Å; N219-V221 PolarHBondContact O-N 3.36Å; N219-N245 VanDerWaalsContact CB-O 3.32Å; N219-N245 WeakPolarHBondContact CB-O 3.21Å; N219-Y246 HydrophobicContact CB-CD1 4.42Å; N219-Y246 WeakPolarHBondContact O-CA 3.23Å; N219-Y246 WeakPolarHBondContact O-CD1 3.31Å; N219-S247 PolarHBondContact O-N 3.26Å; N219-S247 PolarHBondContact O-OG 3.2Å
220	C	88.6	Confident	85.6	Confident	14 Å²	14	61.9 Å²	61.9	10%	0.095	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130.6	174.9	-175.9	0	0	0	0	109.9	C210 N216 S217 I218 S247 E252	C210-C220 HydrophobicContact CB-CB 3.6Å; C210-C220 WeakPolarHBondContact CB-SG 3.38Å; C210-C220 VanDerWaalsContact SG-CA 3.59Å; C210-C220 WeakPolarHBondContact SG-CB 3.48Å; C210-C220 PolarHBondContact SG-O 3.09Å; C210-C220 CovalentContact SG-SG 2.03Å; C210-C220 PolarHBondContact SG-SG 3.22Å; N216-C220 HydrophobicContact CB-CB 4.09Å; S217-C220 VanDerWaalsContact O-CB 3.28Å; S217-C220 WeakPolarHBondContact O-CB 3.19Å; S217-C220 PolarHBondContact O-N 3.33Å; S217-C220 PolarHBondContact OG-N 3.37Å; I218-C220 VanDerWaalsContact C-N 3.31Å; C220-S247 WeakPolarHBondContact CA-O 3.47Å; C220-E252 WeakPolarHBondContact CB-OE2 3.29Å
221	V	88.9	Confident	84.5	Confident	10 Å²	10	65.9 Å²	65.9	6%	0.061	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.5	175.1	-60.9	0	0	0	0	111.4	C210 N219 Y225 L226 Y246 S247 L248 A249	C210-V221 VanDerWaalsContact SG-C 3.54Å; C210-V221 PolarHBondContact SG-N 3Å; N219-V221 PolarHBondContact O-N 3.36Å; V221-Y225 HydrophobicContact CB-CD1 3.75Å; V221-Y225 HydrophobicContact CB-CG 4.39Å; V221-Y225 HydrophobicContact CG1-CD1 3.42Å; V221-Y225 VanDerWaalsContact CG1-CD1 3.42Å; V221-Y225 HydrophobicContact CG1-CE1 3.75Å; V221-Y225 HydrophobicContact CG1-CG 4.32Å; V221-Y225 HydrophobicContact CG2-CD1 4.49Å; V221-L226 HydrophobicContact CG2-CB 4.37Å; V221-Y246 HydrophobicContact CG1-CD1 3.38Å; V221-Y246 HydrophobicContact CG1-CE1 4.06Å; V221-Y246 HydrophobicContact CG1-CG 3.76Å; V221-S247 WeakPolarHBondContact CG2-O 3.37Å; V221-S247 PolarHBondContact N-O 3.44Å; V221-L248 HydrophobicContact CG2-CD1 4.5Å; V221-A249 PolarHBondContact O-N 2.91Å
222	N	89.7	Confident	83.3	Confident	54 Å²	54	69.4 Å²	69.4	29%	0.289	36%	0.36	S	S	.	.			trans	-77.8	166.2	166.9	67.3	2.7	0	0	0	110.3	T208 T224 Y225 L226	T208-N222 WeakPolarHBondContact O-CB 3.29Å; N222-T224 VanDerWaalsContact C-N 3.31Å; N222-T224 PolarHBondContact ND2-OG1 3.35Å; N222-T224 VanDerWaalsContact ND2-OG1 3.13Å; N222-T224 PolarHBondContact O-N 2.91Å; N222-T224 PolarHBondContact OD1-OG1 2.92Å; N222-Y225 PolarHBondContact O-N 2.83Å; N222-Y225 WeakPolarHBondContact OD1-CB 3.39Å; N222-Y225 PolarHBondContact OD1-N 2.69Å; N222-L226 PolarHBondContact O-N 3.49Å
223	F	85.2	Confident	81.9	Confident	26 Å²	26	65.1 Å²	65.1	11%	0.114	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-39.8	-178.3	179.7	-101	0	0	0	112.9	Y225 L226 Q227 L411 T412 L433 T437	F223-Y225 PolarHBondContact O-N 3.5Å; F223-L226 PolarHBondContact O-N 3.43Å; F223-Q227 PolarHBondContact O-N 3.4Å; F223-Q227 VanDerWaalsContact O-N 3.08Å; F223-L411 HydrophobicContact CD1-CD2 4.15Å; F223-L411 HydrophobicContact CE1-CD1 4.23Å; F223-L411 HydrophobicContact CE1-CD2 3.46Å; F223-L411 VanDerWaalsContact CE1-CD2 3.46Å; F223-L411 HydrophobicContact CE1-CG 3.56Å; F223-L411 HydrophobicContact CE2-CD2 4.39Å; F223-L411 HydrophobicContact CZ-CB 4.37Å; F223-L411 HydrophobicContact CZ-CD2 3.62Å; F223-L411 HydrophobicContact CZ-CG 3.5Å; F223-L411 VanDerWaalsContact CZ-CG 3.5Å; F223-T412 HydrophobicContact CE2-CG2 3.67Å; F223-T412 HydrophobicContact CZ-CG2 4.29Å; F223-L433 HydrophobicContact CB-CD1 4.25Å; F223-L433 HydrophobicContact CD2-CD1 4.25Å; F223-L433 HydrophobicContact CG-CD1 4.49Å; F223-T437 HydrophobicContact CD1-CG2 4.15Å; F223-T437 HydrophobicContact CG-CG2 4.42Å
224	T	85.1	Confident	80.1	Confident	88 Å²	88	58.4 Å²	58.4	54%	0.54	33%	0.328	S	S	.	.	H	α-helix	trans	-67.1	-36.1	-177.9	53.6	0	0	0	0	112.9	N222 Q227 S228	N222-T224 VanDerWaalsContact C-N 3.31Å; N222-T224 PolarHBondContact ND2-OG1 3.35Å; N222-T224 VanDerWaalsContact ND2-OG1 3.13Å; N222-T224 PolarHBondContact O-N 2.91Å; N222-T224 PolarHBondContact OD1-OG1 2.92Å; T224-Q227 PolarHBondContact O-N 3.01Å; T224-S228 PolarHBondContact O-N 3.43Å
225	Y	83.4	Confident	78.4	Confident	99 Å²	99	63 Å²	63	39%	0.388	36%	0.357	S	S	.	.	H	α-helix	trans	-64.2	-46.7	174.6	-177.2	-94	0	0	0	111.2	V221 N222 F223 Q227 S228 L229 Y246	V221-Y225 HydrophobicContact CB-CD1 3.75Å; V221-Y225 HydrophobicContact CB-CG 4.39Å; V221-Y225 HydrophobicContact CG1-CD1 3.42Å; V221-Y225 VanDerWaalsContact CG1-CD1 3.42Å; V221-Y225 HydrophobicContact CG1-CE1 3.75Å; V221-Y225 HydrophobicContact CG1-CG 4.32Å; V221-Y225 HydrophobicContact CG2-CD1 4.49Å; N222-Y225 PolarHBondContact O-N 2.83Å; N222-Y225 WeakPolarHBondContact OD1-CB 3.39Å; N222-Y225 PolarHBondContact OD1-N 2.69Å; F223-Y225 PolarHBondContact O-N 3.5Å; Y225-Q227 VanDerWaalsContact C-N 3.27Å; Y225-Q227 PolarHBondContact O-N 3.36Å; Y225-S228 PolarHBondContact O-N 3.04Å; Y225-S228 VanDerWaalsContact O-N 3.13Å; Y225-S228 PolarHBondContact O-OG 3.26Å; Y225-L229 PolarHBondContact O-N 2.9Å; Y225-Y246 HydrophobicContact CE1-CE1 4.46Å; Y225-Y246 HydrophobicContact CE1-CE2 4.4Å
226	L	76	Confident	76.9	Confident	54 Å²	54	66.5 Å²	66.5	28%	0.283	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-41.4	177	-168.3	154.1	0	0	0	111.6	V221 N222 F223 L229 S230 L248	V221-L226 HydrophobicContact CG2-CB 4.37Å; N222-L226 PolarHBondContact O-N 3.49Å; F223-L226 PolarHBondContact O-N 3.43Å; L226-L229 PolarHBondContact O-N 2.96Å; L226-S230 PolarHBondContact O-N 3.24Å; L226-L248 HydrophobicContact CD1-CD1 3.39Å
227	Q	75.1	Confident	75.2	Confident	67 Å²	67	74 Å²	74	31%	0.313	40%	0.403	S	S	.	.	H	α-helix	trans	-63.1	-43.7	175.9	-169.6	174.1	40.9	0	0	112.3	F223 T224 Y225 L229 S230 N231	F223-Q227 PolarHBondContact O-N 3.4Å; F223-Q227 VanDerWaalsContact O-N 3.08Å; T224-Q227 PolarHBondContact O-N 3.01Å; Y225-Q227 VanDerWaalsContact C-N 3.27Å; Y225-Q227 PolarHBondContact O-N 3.36Å; Q227-L229 VanDerWaalsContact C-N 3.34Å; Q227-L229 PolarHBondContact O-N 2.7Å; Q227-S230 PolarHBondContact O-N 3.23Å; Q227-N231 PolarHBondContact O-N 3.33Å
228	S	78.8	Confident	73.4	Confident	55 Å²	55	77.9 Å²	77.9	39%	0.385	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-38.7	176.9	72.9	0	0	0	0	112.8	T224 Y225 N231 T232	T224-S228 PolarHBondContact O-N 3.43Å; Y225-S228 PolarHBondContact O-N 3.04Å; Y225-S228 VanDerWaalsContact O-N 3.13Å; Y225-S228 PolarHBondContact O-OG 3.26Å; S228-N231 PolarHBondContact O-N 3.01Å; S228-T232 PolarHBondContact O-N 3.07Å; S228-T232 PolarHBondContact O-OG1 3.43Å
229	L	71.8	Confident	71.8	Confident	31 Å²	31	74.4 Å²	74.4	16%	0.162	40%	0.404	C	S	.	.	H	α-helix	trans	-63.1	-46.5	175.9	-174.8	62.6	0	0	0	110.5	Y225 L226 Q227 N231 T232 I233 Q243 Y246	Y225-L229 PolarHBondContact O-N 2.9Å; L226-L229 PolarHBondContact O-N 2.96Å; Q227-L229 VanDerWaalsContact C-N 3.34Å; Q227-L229 PolarHBondContact O-N 2.7Å; L229-N231 PolarHBondContact O-N 3.15Å; L229-N231 VanDerWaalsContact O-N 3.15Å; L229-T232 PolarHBondContact O-N 3.36Å; L229-I233 HydrophobicContact CD1-CD1 4.07Å; L229-I233 HydrophobicContact CD1-CG1 4.1Å; L229-I233 HydrophobicContact CD2-CD1 4.35Å; L229-I233 HydrophobicContact CG-CD1 3.74Å; L229-I233 HydrophobicContact CG-CG1 4.2Å; L229-I233 VanDerWaalsContact O-CG1 3.3Å; L229-I233 WeakPolarHBondContact O-CG1 3.33Å; L229-I233 PolarHBondContact O-N 3.02Å; L229-I233 VanDerWaalsContact O-N 3.08Å; L229-Q243 HydrophobicContact CD2-CB 4.18Å; L229-Q243 HydrophobicContact CD2-CG 4.09Å; L229-Y246 HydrophobicContact CD2-CD2 3.91Å; L229-Y246 HydrophobicContact CD2-CE2 3.88Å
230	S	69.1	Low	70.3	Confident	66 Å²	66	75.3 Å²	75.3	46%	0.462	41%	0.409	S	S	.	.	H	α-helix	trans	-58.9	-27.2	177	-168.2	0	0	0	0	113.9	L226 Q227	L226-S230 PolarHBondContact O-N 3.24Å; Q227-S230 PolarHBondContact O-N 3.23Å
231	N	69.6	Low	68.5	Low	128 Å²	128	78.9 Å²	78.9	68%	0.684	43%	0.426	S	S	*	.	H	α-helix	trans	-82.4	-21.2	176.7	-68.7	-20.4	0	0	0	113.4	Q227 S228 L229	Q227-N231 PolarHBondContact O-N 3.33Å; S228-N231 PolarHBondContact O-N 3.01Å; L229-N231 PolarHBondContact O-N 3.15Å; L229-N231 VanDerWaalsContact O-N 3.15Å
232	T	69.1	Low	66.7	Low	108 Å²	108	83.7 Å²	83.7	66%	0.663	45%	0.448	S	S	*	.	H	α-helix	trans	-96.3	-28.1	-174	-46.4	0	0	0	0	112.2	S228 L229 S234	S228-T232 PolarHBondContact O-N 3.07Å; S228-T232 PolarHBondContact O-OG1 3.43Å; L229-T232 PolarHBondContact O-N 3.36Å; T232-S234 PolarHBondContact O-N 3.41Å
233	I	62.3	Low	65.2	Low	29 Å²	29	83.9 Å²	83.9	15%	0.149	45%	0.447	C	S	.	.			trans	-64.3	109	-179.1	-67.9	174.9	0	0	0	110	L229 D239 L240 Q243	L229-I233 HydrophobicContact CD1-CD1 4.07Å; L229-I233 HydrophobicContact CD1-CG1 4.1Å; L229-I233 HydrophobicContact CD2-CD1 4.35Å; L229-I233 HydrophobicContact CG-CD1 3.74Å; L229-I233 HydrophobicContact CG-CG1 4.2Å; L229-I233 VanDerWaalsContact O-CG1 3.3Å; L229-I233 WeakPolarHBondContact O-CG1 3.33Å; L229-I233 PolarHBondContact O-N 3.02Å; L229-I233 VanDerWaalsContact O-N 3.08Å; I233-D239 HydrophobicContact CB-CB 4.4Å; I233-D239 HydrophobicContact CD1-CB 4.47Å; I233-D239 HydrophobicContact CG1-CB 4.03Å; I233-D239 HydrophobicContact CG2-CB 3.78Å; I233-L240 HydrophobicContact CG2-CD2 4.33Å; I233-Q243 HydrophobicContact CD1-CB 3.95Å; I233-Q243 HydrophobicContact CD1-CG 4.33Å
234	S	55.6	Low	64.1	Low	88 Å²	88	86.3 Å²	86.3	62%	0.615	46%	0.458	S	S	*	.			trans	-71.4	153	157	-61.7	0	0	0	0	107.9	T232 D236	T232-S234 PolarHBondContact O-N 3.41Å; S234-D236 PolarHBondContact O-N 3.36Å
235	N	58.1	Low	63.4	Low	160 Å²	160	85.1 Å²	85.1	86%	0.856	45%	0.448	S	S	*	.	S	Bend	trans	-60.8	25.4	-174.4	-79.6	-25.1	0	0	0	116.7
236	D	58.1	Low	63.1	Low	100 Å²	100	83.1 Å²	83.1	54%	0.535	44%	0.44	S	S	.	.			trans	-75.6	137.1	175.7	-153.7	-5.7	0	0	0	111.5	S234 N238 D239 L240	S234-D236 PolarHBondContact O-N 3.36Å; D236-N238 PolarHBondContact O-N 3.33Å; D236-D239 PolarHBondContact O-N 3.35Å; D236-L240 PolarHBondContact O-N 3.02Å
237	K	54.6	Low	63.4	Low	166 Å²	166	80.8 Å²	80.8	72%	0.722	43%	0.428	S	S	*	.	H	α-helix	trans	-63.5	-29.3	-172.2	-75.5	176.7	179.2	172.4	0	112.8	L241	K237-L241 WeakPolarHBondContact O-CG 3.5Å; K237-L241 PolarHBondContact O-N 3.43Å
238	N	52.5	Low	63.9	Low	106 Å²	106	78.3 Å²	78.3	57%	0.567	42%	0.417	S	S	*	.	H	α-helix	trans	-71.3	-34.7	-178.7	-69.4	-25.9	0	0	0	112.3	D236 L241 Q242	D236-N238 PolarHBondContact O-N 3.33Å; N238-L241 PolarHBondContact O-N 3.46Å; N238-Q242 PolarHBondContact O-N 3.18Å; N238-Q242 VanDerWaalsContact O-N 3.15Å
239	D	51.2	Low	64.6	Low	59 Å²	59	75.9 Å²	75.9	32%	0.316	40%	0.4	S	S	.	.	H	α-helix	trans	-70.9	-38.2	177.4	-78	-7.6	0	0	0	111.6	I233 D236 L241 Q242 Q243	I233-D239 HydrophobicContact CB-CB 4.4Å; I233-D239 HydrophobicContact CD1-CB 4.47Å; I233-D239 HydrophobicContact CG1-CB 4.03Å; I233-D239 HydrophobicContact CG2-CB 3.78Å; D236-D239 PolarHBondContact O-N 3.35Å; D239-L241 VanDerWaalsContact C-N 3.3Å; D239-L241 PolarHBondContact O-N 2.85Å; D239-Q242 PolarHBondContact O-N 2.79Å; D239-Q243 PolarHBondContact O-N 3.02Å
240	L	53.2	Low	65.5	Low	74 Å²	74	74.4 Å²	74.4	39%	0.387	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-34.2	173	-66.8	172.5	0	0	0	112.5	I233 D236 K244	I233-L240 HydrophobicContact CG2-CD2 4.33Å; D236-L240 PolarHBondContact O-N 3.02Å; L240-K244 WeakPolarHBondContact O-CG 3.44Å; L240-K244 PolarHBondContact O-N 2.89Å
241	L	51	Low	66.5	Low	89 Å²	89	71.5 Å²	71.5	47%	0.466	37%	0.372	S	S	.	.	H	α-helix	trans	-70.4	-35.6	174.6	-73.7	171	0	0	0	112.1	K237 N238 D239 K244	K237-L241 WeakPolarHBondContact O-CG 3.5Å; K237-L241 PolarHBondContact O-N 3.43Å; N238-L241 PolarHBondContact O-N 3.46Å; D239-L241 VanDerWaalsContact C-N 3.3Å; D239-L241 PolarHBondContact O-N 2.85Å; L241-K244 PolarHBondContact O-N 3.39Å
242	Q	51.4	Low	67.5	Low	111 Å²	111	65.4 Å²	65.4	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-68.7	-41.9	174.7	-71.7	-168.4	11.3	0	0	112.2	N238 D239 K244 N245 Y246	N238-Q242 PolarHBondContact O-N 3.18Å; N238-Q242 VanDerWaalsContact O-N 3.15Å; D239-Q242 PolarHBondContact O-N 2.79Å; Q242-K244 PolarHBondContact O-N 3.12Å; Q242-N245 PolarHBondContact O-N 3.39Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.17Å; Q242-Y246 WeakPolarHBondContact O-CE2 3.35Å
243	Q	57.8	Low	68.7	Low	58 Å²	58	60.5 Å²	60.5	27%	0.271	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-36.8	176	-170.4	179.4	10.5	0	0	112.2	L229 I233 D239 N245 Y246	L229-Q243 HydrophobicContact CD2-CB 4.18Å; L229-Q243 HydrophobicContact CD2-CG 4.09Å; I233-Q243 HydrophobicContact CD1-CB 3.95Å; I233-Q243 HydrophobicContact CD1-CG 4.33Å; D239-Q243 PolarHBondContact O-N 3.02Å; Q243-N245 PolarHBondContact O-N 3.37Å; Q243-Y246 PolarHBondContact O-N 3.44Å
244	K	62.6	Low	70.3	Confident	76 Å²	76	59.1 Å²	59.1	33%	0.33	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-5.7	177.9	-75.6	-173.2	-177.8	-162.9	0	115.1	L240 L241 Q242 V605 N607 I608	L240-K244 WeakPolarHBondContact O-CG 3.44Å; L240-K244 PolarHBondContact O-N 2.89Å; L241-K244 PolarHBondContact O-N 3.39Å; Q242-K244 PolarHBondContact O-N 3.12Å; K244-V605 HydrophobicContact CD-CG1 4.05Å; K244-N607 PolarHBondContact NZ-OD1 3.25Å; K244-I608 WeakPolarHBondContact O-CD1 3.17Å
245	N	69.8	Low	72.1	Confident	64 Å²	64	55 Å²	55	34%	0.342	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-14.8	177	-76.3	-34.1	0	0	0	113.7	N219 Q242 Q243 K594	N219-N245 VanDerWaalsContact CB-O 3.32Å; N219-N245 WeakPolarHBondContact CB-O 3.21Å; Q242-N245 PolarHBondContact O-N 3.39Å; Q243-N245 PolarHBondContact O-N 3.37Å; N245-K594 PolarHBondContact OD1-NZ 3.07Å
246	Y	78.2	Confident	73.7	Confident	57 Å²	57	48.9 Å²	48.9	22%	0.224	24%	0.238	C	C	.	.			trans	-89.4	143	-175.2	-62.6	-67.2	0	0	0	112.9	N219 V221 Y225 L229 Q242 Q243 I608	N219-Y246 HydrophobicContact CB-CD1 4.42Å; N219-Y246 WeakPolarHBondContact O-CA 3.23Å; N219-Y246 WeakPolarHBondContact O-CD1 3.31Å; V221-Y246 HydrophobicContact CG1-CD1 3.38Å; V221-Y246 HydrophobicContact CG1-CE1 4.06Å; V221-Y246 HydrophobicContact CG1-CG 3.76Å; Y225-Y246 HydrophobicContact CE1-CE1 4.46Å; Y225-Y246 HydrophobicContact CE1-CE2 4.4Å; L229-Y246 HydrophobicContact CD2-CD2 3.91Å; L229-Y246 HydrophobicContact CD2-CE2 3.88Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.17Å; Q242-Y246 WeakPolarHBondContact O-CE2 3.35Å; Q243-Y246 PolarHBondContact O-N 3.44Å; Y246-I608 WeakPolarHBondContact O-CD1 3.35Å
247	S	81.3	Confident	75.5	Confident	4 Å²	4	44.4 Å²	44.4	3%	0.028	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.8	-179.7	42.7	0	0	0	0	111	N219 C220 V221 E252	N219-S247 PolarHBondContact O-N 3.26Å; N219-S247 PolarHBondContact O-OG 3.2Å; C220-S247 WeakPolarHBondContact CA-O 3.47Å; V221-S247 WeakPolarHBondContact CG2-O 3.37Å; V221-S247 PolarHBondContact N-O 3.44Å; S247-E252 PolarHBondContact OG-OE1 3.45Å
248	L	86.4	Confident	77.5	Confident	16 Å²	16	36.5 Å²	36.5	8%	0.084	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	140.2	-179.7	-114.7	66.7	0	0	0	112.2	V221 L226 S250 I251 E252 L433 L610	V221-L248 HydrophobicContact CG2-CD1 4.5Å; L226-L248 HydrophobicContact CD1-CD1 3.39Å; L248-S250 PolarHBondContact O-N 3.25Å; L248-I251 HydrophobicContact CB-CD1 3.97Å; L248-I251 HydrophobicContact CB-CG1 3.96Å; L248-I251 PolarHBondContact O-N 3.43Å; L248-I251 VanDerWaalsContact O-N 3.12Å; L248-E252 PolarHBondContact O-N 3.24Å; L248-E252 VanDerWaalsContact O-N 3.07Å; L248-L433 HydrophobicContact CD2-CD1 3.56Å; L248-L433 HydrophobicContact CD2-CD2 3.28Å; L248-L433 HydrophobicContact CD2-CG 4.02Å; L248-L433 HydrophobicContact CG-CD1 4.5Å; L248-L610 HydrophobicContact CD2-CD2 4.08Å
249	A	92.1	Very high	79.6	Confident	3 Å²	3	31.6 Å²	31.6	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-50.6	-39.9	176.6	0	0	0	0	0	113.5	W207 V221 Y253	W207-A249 CarbonylContact O-C 3.43Å; W207-A249 WeakPolarHBondContact O-CB 3.31Å; V221-A249 PolarHBondContact O-N 2.91Å; A249-Y253 WeakPolarHBondContact O-CB 3.33Å; A249-Y253 PolarHBondContact O-N 2.99Å
250	S	92.1	Very high	81.6	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-68	-39.2	-178.6	61.7	0	0	0	0	113.4	W207 L248 Y253 F254 Q429	W207-S250 WeakPolarHBondContact O-CA 3.45Å; W207-S250 PolarHBondContact O-N 3.07Å; L248-S250 PolarHBondContact O-N 3.25Å; S250-Y253 PolarHBondContact O-N 3.45Å; S250-F254 PolarHBondContact O-N 2.85Å; S250-Q429 WeakPolarHBondContact CB-O 3.34Å; S250-Q429 PolarHBondContact OG-O 2.95Å
251	I	88.5	Confident	83.5	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.026	13%	0.133	C	C	.	.	H	α-helix	trans	-69.1	-49.4	179.3	-51.5	-179.6	0	0	0	109.4	L248 Y253 F254 E255 Q429 G592 V593	L248-I251 HydrophobicContact CB-CD1 3.97Å; L248-I251 HydrophobicContact CB-CG1 3.96Å; L248-I251 PolarHBondContact O-N 3.43Å; L248-I251 VanDerWaalsContact O-N 3.12Å; I251-Y253 VanDerWaalsContact C-N 3.27Å; I251-Y253 PolarHBondContact O-N 2.96Å; I251-F254 PolarHBondContact O-N 3.31Å; I251-E255 PolarHBondContact O-N 3.42Å; I251-E255 VanDerWaalsContact O-N 3.16Å; I251-Q429 HydrophobicContact CG1-CB 4.23Å; I251-Q429 HydrophobicContact CG2-CG 4.45Å; I251-G592 WeakPolarHBondContact CG2-O 3.14Å; I251-V593 HydrophobicContact CB-CG2 4.05Å; I251-V593 HydrophobicContact CG2-CG2 3.44Å; I251-V593 VanDerWaalsContact CG2-CG2 3.44Å
252	E	91	Very high	85.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.2	-33.9	176.5	-80.6	-154.4	-170.3	0	0	113.2	N216 S217 C220 S247 L248 F254 R256 V257 V593	N216-E252 VanDerWaalsContact CA-OE2 3.25Å; N216-E252 WeakPolarHBondContact CA-OE2 3.43Å; N216-E252 WeakPolarHBondContact ND2-CB 3.32Å; N216-E252 PolarHBondContact ND2-OE2 3.27Å; S217-E252 WeakPolarHBondContact CB-OE1 3.22Å; S217-E252 PolarHBondContact N-OE2 3.24Å; S217-E252 PolarHBondContact OG-OE1 2.87Å; C220-E252 WeakPolarHBondContact CB-OE2 3.29Å; S247-E252 PolarHBondContact OG-OE1 3.45Å; L248-E252 PolarHBondContact O-N 3.24Å; L248-E252 VanDerWaalsContact O-N 3.07Å; E252-F254 VanDerWaalsContact C-N 3.35Å; E252-F254 PolarHBondContact O-N 3.36Å; E252-R256 WeakPolarHBondContact O-CA 3.47Å; E252-R256 VanDerWaalsContact O-CB 3.32Å; E252-R256 WeakPolarHBondContact O-CB 3.49Å; E252-R256 PolarHBondContact O-N 2.72Å; E252-V257 PolarHBondContact O-N 3.12Å; E252-V593 HydrophobicContact CB-CG2 4.35Å; E252-V593 HydrophobicContact CG-CB 4.35Å; E252-V593 HydrophobicContact CG-CG1 3.67Å; E252-V593 HydrophobicContact CG-CG2 3.65Å
253	Y	94.9	Very high	87.2	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.016	12%	0.117	C	C	.	.	I	π-helix	trans	-59.5	-48.7	177	-173.5	-98.8	0	0	0	110.5	Y195 F196 V199 P206 W207 A249 S250 I251 V257 V258	Y195-Y253 HydrophobicContact CE1-CE1 4.27Å; F196-Y253 AromaticContact CE1-CD1 3.91Å; F196-Y253 HydrophobicContact CE1-CD1 3.91Å; F196-Y253 AromaticContact CE1-CE1 3.92Å; F196-Y253 HydrophobicContact CE1-CE1 3.92Å; F196-Y253 AromaticContact CZ-CD1 3.85Å; F196-Y253 HydrophobicContact CZ-CD1 3.85Å; F196-Y253 AromaticContact CZ-CE1 3.97Å; F196-Y253 HydrophobicContact CZ-CE1 3.97Å; V199-Y253 WeakPolarHBondContact CG2-OH 3.43Å; P206-Y253 HydrophobicContact CB-CD2 4.4Å; P206-Y253 HydrophobicContact CB-CE2 3.61Å; P206-Y253 HydrophobicContact CG-CE1 4.36Å; P206-Y253 HydrophobicContact CG-CE2 3.85Å; P206-Y253 VanDerWaalsContact CG-OH 3.28Å; P206-Y253 WeakPolarHBondContact CG-OH 3.41Å; W207-Y253 HydrophobicContact CB-CD1 3.72Å; W207-Y253 HydrophobicContact CB-CD2 4.29Å; W207-Y253 HydrophobicContact CB-CE1 4.42Å; W207-Y253 HydrophobicContact CB-CG 3.63Å; W207-Y253 HydrophobicContact CE3-CD1 4.15Å; W207-Y253 AromaticContact CE3-CE1 3.82Å; W207-Y253 HydrophobicContact CE3-CE1 3.82Å; A249-Y253 WeakPolarHBondContact O-CB 3.33Å; A249-Y253 PolarHBondContact O-N 2.99Å; S250-Y253 PolarHBondContact O-N 3.45Å; I251-Y253 VanDerWaalsContact C-N 3.27Å; I251-Y253 PolarHBondContact O-N 2.96Å; Y253-V257 HydrophobicContact CD2-CB 4.04Å; Y253-V257 HydrophobicContact CD2-CG1 4.02Å; Y253-V257 HydrophobicContact CD2-CG2 4.28Å; Y253-V257 HydrophobicContact CE2-CB 4.31Å; Y253-V257 HydrophobicContact CE2-CG1 3.78Å; Y253-V257 WeakPolarHBondContact O-CA 3.16Å; Y253-V257 VanDerWaalsContact O-CB 3.24Å; Y253-V257 WeakPolarHBondContact O-CB 3.27Å; Y253-V257 PolarHBondContact O-N 3.01Å; Y253-V258 HydrophobicContact CD1-CG2 3.83Å; Y253-V258 HydrophobicContact CE1-CG2 3.56Å; Y253-V258 WeakPolarHBondContact O-CG2 3.14Å; Y253-V258 PolarHBondContact O-N 3.01Å
254	F	95.5	Very high	88.9	Confident	1 Å²	1	23 Å²	23	0%	0.004	11%	0.107	C	C	.	.	I	π-helix	trans	-64.8	-54.2	178.7	-174.3	-122.8	0	0	0	112.1	W192 F196 S250 I251 E252 V258 L259 P424 F428 Q429	W192-F254 HydrophobicContact CD2-CE2 4.33Å; W192-F254 HydrophobicContact CD2-CZ 4.3Å; W192-F254 HydrophobicContact CE3-CE2 4.49Å; W192-F254 HydrophobicContact CE3-CZ 4.12Å; W192-F254 HydrophobicContact CG-CE2 4.42Å; W192-F254 HydrophobicContact CZ3-CZ 4.38Å; F196-F254 AromaticContact CE2-CD2 3.81Å; F196-F254 HydrophobicContact CE2-CD2 3.81Å; F196-F254 HydrophobicContact CE2-CE2 4.35Å; F196-F254 HydrophobicContact CZ-CB 4.45Å; F196-F254 HydrophobicContact CZ-CD2 4.02Å; S250-F254 PolarHBondContact O-N 2.85Å; I251-F254 PolarHBondContact O-N 3.31Å; E252-F254 VanDerWaalsContact C-N 3.35Å; E252-F254 PolarHBondContact O-N 3.36Å; F254-V258 HydrophobicContact CD2-CB 4.36Å; F254-V258 WeakPolarHBondContact O-CB 3.31Å; F254-V258 PolarHBondContact O-N 2.89Å; F254-L259 HydrophobicContact CD1-CD1 4.09Å; F254-L259 HydrophobicContact CD2-CG 4.47Å; F254-L259 HydrophobicContact CE1-CD1 3.7Å; F254-L259 HydrophobicContact CE1-CG 4.48Å; F254-L259 HydrophobicContact CE2-CD1 4.27Å; F254-L259 HydrophobicContact CE2-CD2 4.32Å; F254-L259 HydrophobicContact CE2-CG 4.2Å; F254-L259 HydrophobicContact CZ-CD1 3.81Å; F254-L259 HydrophobicContact CZ-CD2 4.34Å; F254-L259 HydrophobicContact CZ-CG 4.22Å; F254-L259 WeakPolarHBondContact O-CG 3.41Å; F254-L259 PolarHBondContact O-N 2.95Å; F254-P424 HydrophobicContact CE1-CB 4.37Å; F254-P424 HydrophobicContact CZ-CB 4.37Å; F254-F428 HydrophobicContact CB-CB 4.39Å; F254-F428 HydrophobicContact CD1-CB 4.08Å; F254-F428 HydrophobicContact CD2-CB 3.52Å; F254-F428 HydrophobicContact CD2-CG 4.08Å; F254-F428 HydrophobicContact CE1-CB 4.21Å; F254-F428 HydrophobicContact CE2-CB 3.66Å; F254-F428 HydrophobicContact CE2-CD1 4.43Å; F254-F428 AromaticContact CE2-CD2 3.95Å; F254-F428 HydrophobicContact CE2-CD2 3.95Å; F254-F428 AromaticContact CE2-CG 3.76Å; F254-F428 HydrophobicContact CE2-CG 3.76Å; F254-F428 HydrophobicContact CG-CB 3.74Å; F254-F428 HydrophobicContact CZ-CB 4.01Å; F254-F428 AromaticContact CZ-CD2 3.9Å; F254-F428 HydrophobicContact CZ-CD2 3.9Å; F254-F428 HydrophobicContact CZ-CG 4.13Å; F254-Q429 HydrophobicContact CB-CG 3.89Å; F254-Q429 HydrophobicContact CD1-CG 4.01Å; F254-Q429 HydrophobicContact CG-CG 4.3Å
255	E	93.1	Very high	90.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-75.4	-44.9	-172.1	-66.3	-171.9	148.6	0	0	113.2	I251 K260 L261 Y589 G592 V593	I251-E255 PolarHBondContact O-N 3.42Å; I251-E255 VanDerWaalsContact O-N 3.16Å; E255-K260 WeakPolarHBondContact O-CA 3.45Å; E255-K260 PolarHBondContact O-N 2.88Å; E255-L261 WeakPolarHBondContact O-CB 3.3Å; E255-L261 PolarHBondContact O-N 3.07Å; E255-Y589 PolarHBondContact OE1-OH 2.88Å; E255-G592 VanDerWaalsContact CD-N 3.3Å; E255-G592 PolarHBondContact OE1-N 3.14Å; E255-G592 WeakPolarHBondContact OE2-CA 3.33Å; E255-G592 PolarHBondContact OE2-N 3.48Å; E255-G592 VanDerWaalsContact OE2-N 3.1Å; E255-V593 WeakPolarHBondContact OE2-CG2 3.32Å; E255-V593 PolarHBondContact OE2-N 3.05Å; E255-V593 VanDerWaalsContact OE2-N 3.07Å
256	R	92.7	Very high	91.1	Very high	32 Å²	32	21.4 Å²	21.4	12%	0.121	11%	0.106	C	C	.	.	I	π-helix	trans	-93.1	-28.7	-172.6	-60.9	-172.2	73.8	94.8	-0.4	114.5	E252 K260 Q262 E597	E252-R256 WeakPolarHBondContact O-CA 3.47Å; E252-R256 VanDerWaalsContact O-CB 3.32Å; E252-R256 WeakPolarHBondContact O-CB 3.49Å; E252-R256 PolarHBondContact O-N 2.72Å; R256-K260 WeakPolarHBondContact O-CA 3.3Å; R256-K260 WeakPolarHBondContact O-CG 3.31Å; R256-Q262 VanDerWaalsContact CA-OE1 3.27Å; R256-Q262 PolarHBondContact O-NE2 2.88Å; R256-Q262 PolarHBondContact O-OE1 3.3Å; R256-E597 IonicContact CZ-OE1 3.91Å; R256-E597 IonicContact NH1-OE1 3.76Å; R256-E597 PolarHBondContact NH1-OE1 2.83Å; R256-E597 IonicContact NH1-OE2 3.93Å; R256-E597 IonicContact NH2-OE1 2.9Å
257	V	95	Very high	91.9	Very high	6 Å²	6	19.8 Å²	19.8	4%	0.036	10%	0.102	C	C	.	.	I	π-helix	trans	-98.2	-55.1	-178.2	171.6	0	0	0	0	111.5	R214 E252 Y253 R274	R214-V257 HydrophobicContact CB-CG2 4.3Å; R214-V257 HydrophobicContact CG-CB 4.36Å; R214-V257 HydrophobicContact CG-CG1 3.54Å; R214-V257 HydrophobicContact CG-CG2 3.9Å; E252-V257 PolarHBondContact O-N 3.12Å; Y253-V257 HydrophobicContact CD2-CB 4.04Å; Y253-V257 HydrophobicContact CD2-CG1 4.02Å; Y253-V257 HydrophobicContact CD2-CG2 4.28Å; Y253-V257 HydrophobicContact CE2-CB 4.31Å; Y253-V257 HydrophobicContact CE2-CG1 3.78Å; Y253-V257 WeakPolarHBondContact O-CA 3.16Å; Y253-V257 VanDerWaalsContact O-CB 3.24Å; Y253-V257 WeakPolarHBondContact O-CB 3.27Å; Y253-V257 PolarHBondContact O-N 3.01Å; V257-R274 PolarHBondContact O-NH2 3.05Å
258	V	97.1	Very high	92.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	13%	0.134	C	C	.	.	I	π-helix	trans	-71.1	-62.1	-176.8	-178.6	0	0	0	0	109.5	Y195 F196 Y253 F254 R274 L277	Y195-V258 HydrophobicContact CD1-CG1 3.96Å; Y195-V258 HydrophobicContact CD1-CG2 3.93Å; Y195-V258 HydrophobicContact CE1-CB 4.3Å; Y195-V258 HydrophobicContact CE1-CG1 4.08Å; Y195-V258 HydrophobicContact CE1-CG2 3.41Å; Y195-V258 VanDerWaalsContact CE1-CG2 3.41Å; Y195-V258 HydrophobicContact CG-CG1 4.44Å; F196-V258 HydrophobicContact CE2-CG1 4.47Å; F196-V258 HydrophobicContact CE2-CG2 4Å; F196-V258 HydrophobicContact CZ-CG2 4.23Å; Y253-V258 HydrophobicContact CD1-CG2 3.83Å; Y253-V258 HydrophobicContact CE1-CG2 3.56Å; Y253-V258 WeakPolarHBondContact O-CG2 3.14Å; Y253-V258 PolarHBondContact O-N 3.01Å; F254-V258 HydrophobicContact CD2-CB 4.36Å; F254-V258 WeakPolarHBondContact O-CB 3.31Å; F254-V258 PolarHBondContact O-N 2.89Å; V258-R274 PolarHBondContact O-NE 2.88Å; V258-R274 PolarHBondContact O-NH2 2.73Å; V258-R274 VanDerWaalsContact O-NH2 3.09Å; V258-L277 HydrophobicContact CG1-CD1 4.37Å; V258-L277 HydrophobicContact CG1-CD2 3.99Å
259	L	96	Very high	92.8	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.149	C	C	.	.	I	π-helix	trans	-73.9	-36.3	-178.8	-59.6	178.4	0	0	0	112.1	W192 F254 L261 R274 L277 S507 M510	W192-L259 HydrophobicContact CZ2-CD2 4.08Å; F254-L259 HydrophobicContact CD1-CD1 4.09Å; F254-L259 HydrophobicContact CD2-CG 4.47Å; F254-L259 HydrophobicContact CE1-CD1 3.7Å; F254-L259 HydrophobicContact CE1-CG 4.48Å; F254-L259 HydrophobicContact CE2-CD1 4.27Å; F254-L259 HydrophobicContact CE2-CD2 4.32Å; F254-L259 HydrophobicContact CE2-CG 4.2Å; F254-L259 HydrophobicContact CZ-CD1 3.81Å; F254-L259 HydrophobicContact CZ-CD2 4.34Å; F254-L259 HydrophobicContact CZ-CG 4.22Å; F254-L259 WeakPolarHBondContact O-CG 3.41Å; F254-L259 PolarHBondContact O-N 2.95Å; L259-L261 VanDerWaalsContact C-N 3.28Å; L259-L261 HydrophobicContact CB-CB 4.47Å; L259-R274 WeakPolarHBondContact O-CD 3.41Å; L259-R274 PolarHBondContact O-NE 2.68Å; L259-L277 HydrophobicContact CD2-CD1 4.34Å; L259-S507 WeakPolarHBondContact O-CA 3.44Å; L259-M510 HydrophobicContact CD1-CB 4.08Å; L259-M510 HydrophobicContact CD1-CG 4.27Å
260	K	94.5	Very high	92.9	Very high	62 Å²	62	31.6 Å²	31.6	27%	0.27	16%	0.159	S	C	.	.			trans	53.6	46.5	-166.2	-68	-167.3	-173.4	-175.4	0	111.9	E255 R256 Q262 Q263 R274 S507	E255-K260 WeakPolarHBondContact O-CA 3.45Å; E255-K260 PolarHBondContact O-N 2.88Å; R256-K260 WeakPolarHBondContact O-CA 3.3Å; R256-K260 WeakPolarHBondContact O-CG 3.31Å; K260-Q262 VanDerWaalsContact CA-OE1 3.26Å; K260-Q262 PolarHBondContact O-N 2.64Å; K260-Q263 HydrophobicContact CB-CG 4.2Å; K260-Q263 WeakPolarHBondContact O-CB 3.44Å; K260-Q263 PolarHBondContact O-N 2.81Å; K260-R274 VanDerWaalsContact CE-NH1 3.27Å; K260-R274 VanDerWaalsContact CG-CZ 3.4Å; K260-S507 VanDerWaalsContact O-CB 3.26Å; K260-S507 WeakPolarHBondContact O-CB 3.31Å; K260-S507 PolarHBondContact O-OG 2.87Å; K260-S507 VanDerWaalsContact O-OG 3.07Å
261	L	92	Very high	93.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-57.8	-29.7	-176.5	-165.8	63.1	0	0	0	112.7	E255 L259 Q263 S264 S507 M510 Y511 Y589 Y591	E255-L261 WeakPolarHBondContact O-CB 3.3Å; E255-L261 PolarHBondContact O-N 3.07Å; L259-L261 VanDerWaalsContact C-N 3.28Å; L259-L261 HydrophobicContact CB-CB 4.47Å; L261-Q263 PolarHBondContact O-N 3.38Å; L261-Q263 VanDerWaalsContact O-N 3.09Å; L261-S264 PolarHBondContact O-N 2.84Å; L261-S264 VanDerWaalsContact O-O 3.12Å; L261-S507 WeakPolarHBondContact CA-O 3.39Å; L261-S507 VanDerWaalsContact CD1-O 3.26Å; L261-S507 WeakPolarHBondContact CD1-O 3.49Å; L261-M510 HydrophobicContact CD1-CB 4.29Å; L261-Y511 HydrophobicContact CD1-CD2 4.43Å; L261-Y511 HydrophobicContact CD1-CE1 4.12Å; L261-Y511 HydrophobicContact CD1-CE2 3.76Å; L261-Y589 HydrophobicContact CD2-CD1 4.43Å; L261-Y589 HydrophobicContact CD2-CE1 3.57Å; L261-Y591 HydrophobicContact CD2-CD1 3.83Å; L261-Y591 HydrophobicContact CD2-CE1 3.61Å; L261-Y591 HydrophobicContact CG-CE1 4.32Å
262	Q	88.4	Confident	93.4	Very high	56 Å²	56	35.6 Å²	35.6	26%	0.262	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-61.8	-13	174.7	73.9	-79	9.8	0	0	114.8	R256 K260 S264	R256-Q262 VanDerWaalsContact CA-OE1 3.27Å; R256-Q262 PolarHBondContact O-NE2 2.88Å; R256-Q262 PolarHBondContact O-OE1 3.3Å; K260-Q262 VanDerWaalsContact CA-OE1 3.26Å; K260-Q262 PolarHBondContact O-N 2.64Å; Q262-S264 VanDerWaalsContact C-N 3.32Å
263	Q	91.9	Very high	93.7	Very high	84 Å²	84	39.9 Å²	39.9	39%	0.393	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-91.5	5.9	175.9	-58.4	-171.8	-44.2	0	0	112.8	K260 L261 G271 P272 S507	K260-Q263 HydrophobicContact CB-CG 4.2Å; K260-Q263 WeakPolarHBondContact O-CB 3.44Å; K260-Q263 PolarHBondContact O-N 2.81Å; L261-Q263 PolarHBondContact O-N 3.38Å; L261-Q263 VanDerWaalsContact O-N 3.09Å; Q263-G271 WeakPolarHBondContact O-CA 3.29Å; Q263-P272 HydrophobicContact CB-CG 4.4Å; Q263-P272 VanDerWaalsContact OE1-CG 3.29Å; Q263-S507 PolarHBondContact OE1-OG 2.7Å
264	S	92.9	Very high	93.9	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.063	21%	0.214	C	C	.	.			trans	-130.2	133.4	177.6	168.9	0	0	0	0	109.3	L261 Q262 G266 D269 G508	L261-S264 PolarHBondContact O-N 2.84Å; L261-S264 VanDerWaalsContact O-O 3.12Å; Q262-S264 VanDerWaalsContact C-N 3.32Å; S264-G266 PolarHBondContact OG-N 3.43Å; S264-G266 PolarHBondContact OG-O 2.76Å; S264-D269 WeakPolarHBondContact CA-O 3.22Å; S264-D269 VanDerWaalsContact CB-O 3.29Å; S264-D269 WeakPolarHBondContact CB-O 3.39Å; S264-D269 PolarHBondContact OG-O 3.07Å; S264-G508 VanDerWaalsContact CB-CA 3.46Å; S264-G508 WeakPolarHBondContact OG-CA 3.2Å
265	T	89.6	Confident	93.9	Very high	102 Å²	102	49 Å²	49	63%	0.626	25%	0.247	S	C	*	.			trans	-90.9	-8.4	175.9	56.3	0	0	0	0	113	D269	T265-D269 PolarHBondContact N-O 3.36Å; T265-D269 WeakPolarHBondContact OG1-CB 3.39Å; T265-D269 PolarHBondContact OG1-OD2 3.5Å
266	G	90.8	Very high	94.1	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.031	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	151.9	-155.9	179.1	0	0	0	0	0	113.3	S264 E268 D269 Y617	S264-G266 PolarHBondContact OG-N 3.43Å; S264-G266 PolarHBondContact OG-O 2.76Å; G266-E268 VanDerWaalsContact C-N 3.26Å; G266-E268 PolarHBondContact O-N 2.95Å; G266-D269 CarbonylContact O-C 3.38Å; G266-D269 PolarHBondContact O-N 3.1Å; G266-Y617 WeakPolarHBondContact CA-OH 3.5Å
267	L	93.3	Very high	94.4	Very high	24 Å²	24	50.1 Å²	50.1	13%	0.126	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.6	178.8	-71.3	179.7	0	0	0	113.8	D269 L270 V512 L515 Y617 Y619 P620 W622 S623	L267-D269 VanDerWaalsContact C-N 3.34Å; L267-L270 HydrophobicContact CD2-CD2 4.41Å; L267-V512 HydrophobicContact CD2-CG2 3.81Å; L267-L515 HydrophobicContact CD1-CD2 4.29Å; L267-Y617 PolarHBondContact N-OH 3.17Å; L267-Y619 HydrophobicContact CD1-CD1 3.69Å; L267-Y619 HydrophobicContact CD1-CE1 4.05Å; L267-Y619 HydrophobicContact CG-CD1 4.33Å; L267-Y619 HydrophobicContact CG-CE1 4.37Å; L267-P620 HydrophobicContact CD1-CG 4.38Å; L267-W622 HydrophobicContact CB-CH2 3.76Å; L267-W622 HydrophobicContact CB-CZ2 3.85Å; L267-W622 HydrophobicContact CD1-CH2 3.95Å; L267-W622 HydrophobicContact CD1-CZ2 4.39Å; L267-W622 HydrophobicContact CD1-CZ3 4.48Å; L267-S623 VanDerWaalsContact CD1-CB 3.43Å
268	E	92.7	Very high	94.6	Very high	153 Å²	153	50.9 Å²	50.9	72%	0.715	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-18.9	179.6	-65.6	170.6	-174.6	0	0	112	G266 W622	G266-E268 VanDerWaalsContact C-N 3.26Å; G266-E268 PolarHBondContact O-N 2.95Å; E268-W622 HydrophobicContact CG-CZ2 4.02Å; E268-W622 PolarHBondContact OE1-NE1 3.04Å; E268-W622 VanDerWaalsContact OE1-NE1 3.09Å
269	D	94.1	Very high	94.6	Very high	71 Å²	71	52.7 Å²	52.7	38%	0.38	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-144.4	90.8	177.1	167.6	33	0	0	0	109.2	S264 T265 G266 L267 G271	S264-D269 WeakPolarHBondContact CA-O 3.22Å; S264-D269 VanDerWaalsContact CB-O 3.29Å; S264-D269 WeakPolarHBondContact CB-O 3.39Å; S264-D269 PolarHBondContact OG-O 3.07Å; T265-D269 PolarHBondContact N-O 3.36Å; T265-D269 WeakPolarHBondContact OG1-CB 3.39Å; T265-D269 PolarHBondContact OG1-OD2 3.5Å; G266-D269 CarbonylContact O-C 3.38Å; G266-D269 PolarHBondContact O-N 3.1Å; L267-D269 VanDerWaalsContact C-N 3.34Å; D269-G271 PolarHBondContact O-N 2.91Å; D269-G271 PolarHBondContact OD1-N 3.33Å
270	L	95.1	Very high	94.7	Very high	46 Å²	46	52.9 Å²	52.9	24%	0.241	28%	0.278	C	S	.	.			trans	-72.4	-5.6	-179.6	-63.9	179.4	0	0	0	113.3	L267 V503 T506 S507 G508 V512	L267-L270 HydrophobicContact CD2-CD2 4.41Å; L270-V503 HydrophobicContact CD1-CG2 4.06Å; L270-T506 HydrophobicContact CB-CG2 4.48Å; L270-S507 PolarHBondContact O-N 3Å; L270-G508 PolarHBondContact O-N 2.97Å; L270-V512 HydrophobicContact CD1-CG2 4.15Å; L270-V512 HydrophobicContact CD2-CG2 3.55Å
271	G	95.4	Very high	94.9	Very high	27 Å²	27	50 Å²	50	28%	0.278	27%	0.266	S	S	.	.			trans	62.7	-167.4	-175.5	0	0	0	0	0	113.9	Q263 D269	Q263-G271 WeakPolarHBondContact O-CA 3.29Å; D269-G271 PolarHBondContact O-N 2.91Å; D269-G271 PolarHBondContact OD1-N 3.33Å
272	P	96.3	Very high	95.2	Very high	64 Å²	64	53.6 Å²	53.6	42%	0.416	28%	0.284	S	S	.	.			trans	-73.8	155.6	-173.8	29.8	-35.4	0	0	0	113.1	Q263 T506 S507	Q263-P272 HydrophobicContact CB-CG 4.4Å; Q263-P272 VanDerWaalsContact OE1-CG 3.29Å; P272-T506 WeakPolarHBondContact O-CA 3.31Å; P272-S507 PolarHBondContact O-N 3.43Å
273	I	97.3	Very high	95.7	Very high	89 Å²	89	56 Å²	56	46%	0.456	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-71.9	133.7	171.9	-161	171.5	0	0	0	111.1	W275 V278 F502 V505	I273-W275 PolarHBondContact O-N 2.85Å; I273-V278 HydrophobicContact CD1-CG2 3.46Å; I273-V278 VanDerWaalsContact CD1-CG2 3.46Å; I273-V278 HydrophobicContact CG1-CG2 3.51Å; I273-F502 HydrophobicContact CD1-CB 4.22Å; I273-F502 HydrophobicContact CD1-CD2 4.38Å; I273-F502 HydrophobicContact CD1-CG 4.4Å; I273-V505 HydrophobicContact CD1-CG2 4.47Å; I273-V505 HydrophobicContact CG1-CG2 4.18Å
274	R	97.4	Very high	96	Very high	14 Å²	14	52 Å²	52	5%	0.053	28%	0.275	C	S	.	.			trans	-85.7	92.8	-179	-53.9	-64.8	-68	124.8	8.7	109.5	V257 V258 L259 K260 Q276 L277 V278 V505	V257-R274 PolarHBondContact O-NH2 3.05Å; V258-R274 PolarHBondContact O-NE 2.88Å; V258-R274 PolarHBondContact O-NH2 2.73Å; V258-R274 VanDerWaalsContact O-NH2 3.09Å; L259-R274 WeakPolarHBondContact O-CD 3.41Å; L259-R274 PolarHBondContact O-NE 2.68Å; K260-R274 VanDerWaalsContact CE-NH1 3.27Å; K260-R274 VanDerWaalsContact CG-CZ 3.4Å; R274-Q276 PolarHBondContact O-N 2.75Å; R274-Q276 VanDerWaalsContact O-N 3.08Å; R274-L277 HydrophobicContact CB-CB 4.08Å; R274-L277 HydrophobicContact CB-CD1 3.96Å; R274-L277 HydrophobicContact CB-CG 4.01Å; R274-L277 HydrophobicContact CG-CD1 4.29Å; R274-L277 WeakPolarHBondContact O-CA 3.35Å; R274-L277 WeakPolarHBondContact O-CB 3.37Å; R274-L277 PolarHBondContact O-N 3.13Å; R274-V278 PolarHBondContact O-N 3.09Å; R274-V505 WeakPolarHBondContact CB-O 3.18Å; R274-V505 VanDerWaalsContact CG-O 3.31Å; R274-V505 WeakPolarHBondContact CG-O 3.43Å; R274-V505 PolarHBondContact N-O 3.17Å
275	W	96.9	Very high	96.3	Very high	183 Å²	183	51.9 Å²	51.9	69%	0.693	27%	0.274	S	S	*	.	H	α-helix	trans	-56	-31.1	-173.1	74.5	-99.9	0	0	0	114.3	I273 V278 G279	I273-W275 PolarHBondContact O-N 2.85Å; W275-V278 WeakPolarHBondContact O-CB 3.43Å; W275-V278 PolarHBondContact O-N 3.28Å; W275-G279 PolarHBondContact O-N 3.4Å
276	Q	97.6	Very high	96.7	Very high	53 Å²	53	49.9 Å²	49.9	25%	0.248	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-42.1	175	-61.2	90.3	-15.8	0	0	112	Y195 R274 G279 C280	Y195-Q276 HydrophobicContact CD2-CB 4.09Å; Y195-Q276 HydrophobicContact CE2-CB 3.85Å; Y195-Q276 HydrophobicContact CE2-CG 4.35Å; R274-Q276 PolarHBondContact O-N 2.75Å; R274-Q276 VanDerWaalsContact O-N 3.08Å; Q276-G279 PolarHBondContact O-N 2.83Å; Q276-C280 PolarHBondContact O-N 3.45Å; Q276-C280 PolarHBondContact O-SG 2.94Å
277	L	98.3	Very high	97.1	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-73.1	-32.9	177	-62.6	-174.8	0	0	0	111.5	Y195 V258 L259 R274 G279 C280 T281 V505	Y195-L277 HydrophobicContact CD2-CD2 4.07Å; Y195-L277 HydrophobicContact CG-CD2 4.05Å; V258-L277 HydrophobicContact CG1-CD1 4.37Å; V258-L277 HydrophobicContact CG1-CD2 3.99Å; L259-L277 HydrophobicContact CD2-CD1 4.34Å; R274-L277 HydrophobicContact CB-CB 4.08Å; R274-L277 HydrophobicContact CB-CD1 3.96Å; R274-L277 HydrophobicContact CB-CG 4.01Å; R274-L277 HydrophobicContact CG-CD1 4.29Å; R274-L277 WeakPolarHBondContact O-CA 3.35Å; R274-L277 WeakPolarHBondContact O-CB 3.37Å; R274-L277 PolarHBondContact O-N 3.13Å; L277-G279 VanDerWaalsContact C-N 3.34Å; L277-C280 PolarHBondContact O-N 3.25Å; L277-T281 WeakPolarHBondContact O-CB 3.42Å; L277-T281 PolarHBondContact O-N 2.97Å; L277-T281 PolarHBondContact O-OG1 2.89Å; L277-V505 HydrophobicContact CB-CB 3.8Å; L277-V505 HydrophobicContact CB-CG1 4.04Å; L277-V505 HydrophobicContact CD1-CB 4.49Å
278	V	98.3	Very high	97.3	Very high	22 Å²	22	51 Å²	51	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-48.6	169.1	174	0	0	0	0	110.3	I273 R274 W275 C280 T281 I282 F502 V505	I273-V278 HydrophobicContact CD1-CG2 3.46Å; I273-V278 VanDerWaalsContact CD1-CG2 3.46Å; I273-V278 HydrophobicContact CG1-CG2 3.51Å; R274-V278 PolarHBondContact O-N 3.09Å; W275-V278 WeakPolarHBondContact O-CB 3.43Å; W275-V278 PolarHBondContact O-N 3.28Å; V278-C280 PolarHBondContact O-N 2.86Å; V278-T281 PolarHBondContact O-N 2.94Å; V278-I282 HydrophobicContact CG1-CD1 3.81Å; V278-I282 HydrophobicContact CG1-CG1 4.4Å; V278-I282 WeakPolarHBondContact O-CG1 3.3Å; V278-I282 PolarHBondContact O-N 3.24Å; V278-F502 HydrophobicContact CG1-CE1 3.88Å; V278-F502 HydrophobicContact CG1-CE2 4.18Å; V278-F502 HydrophobicContact CG1-CZ 3.69Å; V278-V505 HydrophobicContact CG2-CG2 3.63Å
279	G	98.3	Very high	97.5	Very high	39 Å²	39	46 Å²	46	40%	0.402	25%	0.245	S	C	.	.	H	α-helix	trans	-58.3	-45.4	176	0	0	0	0	0	112.7	W275 Q276 L277 T281 I282 F283	W275-G279 PolarHBondContact O-N 3.4Å; Q276-G279 PolarHBondContact O-N 2.83Å; L277-G279 VanDerWaalsContact C-N 3.34Å; G279-T281 PolarHBondContact O-N 3.47Å; G279-I282 PolarHBondContact O-N 3.48Å; G279-F283 WeakPolarHBondContact O-CB 3.49Å; G279-F283 PolarHBondContact O-N 3.04Å
280	C	98.6	Very high	97.7	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-40.4	176.1	-63.8	0	0	0	0	112.1	A191 L194 Q276 L277 V278 F283 I284	A191-C280 HydrophobicContact CB-CB 4.16Å; A191-C280 WeakPolarHBondContact O-CB 3.47Å; L194-C280 HydrophobicContact CB-CB 4.36Å; L194-C280 HydrophobicContact CD2-CB 3.99Å; L194-C280 HydrophobicContact CG-CB 4.35Å; Q276-C280 PolarHBondContact O-N 3.45Å; Q276-C280 PolarHBondContact O-SG 2.94Å; L277-C280 PolarHBondContact O-N 3.25Å; V278-C280 PolarHBondContact O-N 2.86Å; C280-F283 PolarHBondContact O-N 3.41Å; C280-I284 WeakPolarHBondContact O-CG1 3.46Å; C280-I284 PolarHBondContact O-N 2.85Å
281	T	98.5	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-51.3	178	-57.6	0	0	0	0	110.5	A191 L277 V278 G279 F283 I284 F285 A501 F502 V505	A191-T281 WeakPolarHBondContact CB-OG1 3.34Å; L277-T281 WeakPolarHBondContact O-CB 3.42Å; L277-T281 PolarHBondContact O-N 2.97Å; L277-T281 PolarHBondContact O-OG1 2.89Å; V278-T281 PolarHBondContact O-N 2.94Å; G279-T281 PolarHBondContact O-N 3.47Å; T281-F283 PolarHBondContact O-N 3.41Å; T281-I284 PolarHBondContact O-N 3.46Å; T281-F285 HydrophobicContact CG2-CD2 3.75Å; T281-F285 HydrophobicContact CG2-CE2 3.85Å; T281-F285 WeakPolarHBondContact O-CD2 3.36Å; T281-F285 PolarHBondContact O-N 3.13Å; T281-A501 HydrophobicContact CG2-CB 3.88Å; T281-F502 HydrophobicContact CG2-CD1 4.27Å; T281-F502 HydrophobicContact CG2-CE1 4.16Å; T281-V505 WeakPolarHBondContact OG1-CG1 3.22Å
282	I	98.6	Very high	97.8	Very high	78 Å²	78	42.5 Å²	42.5	40%	0.4	23%	0.229	S	C	.	.	H	α-helix	trans	-55.7	-41.3	176.2	-68.1	169.5	0	0	0	110.3	V278 G279 S286 F502	V278-I282 HydrophobicContact CG1-CD1 3.81Å; V278-I282 HydrophobicContact CG1-CG1 4.4Å; V278-I282 WeakPolarHBondContact O-CG1 3.3Å; V278-I282 PolarHBondContact O-N 3.24Å; G279-I282 PolarHBondContact O-N 3.48Å; I282-S286 VanDerWaalsContact O-CB 3.27Å; I282-S286 WeakPolarHBondContact O-CB 3.4Å; I282-S286 PolarHBondContact O-N 2.88Å; I282-S286 PolarHBondContact O-OG 3.2Å; I282-F502 HydrophobicContact CD1-CZ 3.98Å; I282-F502 HydrophobicContact CG1-CE1 4.06Å; I282-F502 HydrophobicContact CG1-CZ 3.82Å
283	F	98.5	Very high	97.6	Very high	106 Å²	106	45.2 Å²	45.2	47%	0.465	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-46.7	179.2	-168.5	-97.3	0	0	0	112.9	L194 G279 C280 T281 F285 S286 I287	L194-F283 HydrophobicContact CD1-CD1 4.34Å; L194-F283 HydrophobicContact CD1-CE1 4.44Å; L194-F283 HydrophobicContact CD2-CB 3.91Å; L194-F283 HydrophobicContact CD2-CD1 3.42Å; L194-F283 VanDerWaalsContact CD2-CD1 3.42Å; L194-F283 HydrophobicContact CD2-CE1 4.29Å; L194-F283 HydrophobicContact CD2-CG 4.04Å; G279-F283 WeakPolarHBondContact O-CB 3.49Å; G279-F283 PolarHBondContact O-N 3.04Å; C280-F283 PolarHBondContact O-N 3.41Å; T281-F283 PolarHBondContact O-N 3.41Å; F283-F285 PolarHBondContact O-N 3.21Å; F283-S286 WeakPolarHBondContact O-CB 3.26Å; F283-S286 PolarHBondContact O-N 3.39Å; F283-S286 VanDerWaalsContact O-N 3.16Å; F283-I287 HydrophobicContact CD1-CD1 3.76Å; F283-I287 HydrophobicContact CD1-CG1 4.41Å; F283-I287 HydrophobicContact CE1-CD1 3.5Å; F283-I287 VanDerWaalsContact CE1-CD1 3.5Å; F283-I287 HydrophobicContact CE1-CG1 4.25Å; F283-I287 HydrophobicContact CZ-CD1 4.3Å; F283-I287 PolarHBondContact O-N 3.08Å
284	I	98.5	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-48.8	175.3	-70.2	-62.6	0	0	0	111	N187 A191 L194 C280 T281 S286 I287 L288 I453 L457	N187-I284 HydrophobicContact CB-CG2 4.39Å; A191-I284 HydrophobicContact CB-CG1 4.49Å; L194-I284 HydrophobicContact CB-CD1 4.24Å; L194-I284 HydrophobicContact CB-CG1 4.42Å; L194-I284 HydrophobicContact CD2-CD1 4.01Å; L194-I284 HydrophobicContact CD2-CG1 3.94Å; C280-I284 WeakPolarHBondContact O-CG1 3.46Å; C280-I284 PolarHBondContact O-N 2.85Å; T281-I284 PolarHBondContact O-N 3.46Å; I284-S286 VanDerWaalsContact C-N 3.25Å; I284-S286 PolarHBondContact O-N 3.5Å; I284-I287 PolarHBondContact O-N 3.41Å; I284-I287 VanDerWaalsContact O-N 3.17Å; I284-L288 HydrophobicContact CG2-CD1 4.26Å; I284-L288 WeakPolarHBondContact O-CG 3.36Å; I284-L288 PolarHBondContact O-N 3.39Å; I284-I453 HydrophobicContact CD1-CG2 4.06Å; I284-L457 HydrophobicContact CG2-CD2 4.41Å
285	F	98.5	Very high	96.9	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-29.7	177.7	-82.6	-88.1	0	0	0	112.5	N187 T281 F283 L288 F289 I494 A497 C498 A501	N187-F285 HydrophobicContact CB-CE2 3.96Å; N187-F285 HydrophobicContact CB-CZ 3.93Å; T281-F285 HydrophobicContact CG2-CD2 3.75Å; T281-F285 HydrophobicContact CG2-CE2 3.85Å; T281-F285 WeakPolarHBondContact O-CD2 3.36Å; T281-F285 PolarHBondContact O-N 3.13Å; F283-F285 PolarHBondContact O-N 3.21Å; F285-L288 HydrophobicContact CD1-CD1 4.39Å; F285-L288 PolarHBondContact O-N 3.21Å; F285-F289 WeakPolarHBondContact O-CB 3.28Å; F285-F289 PolarHBondContact O-N 3.35Å; F285-I494 HydrophobicContact CB-CG2 4.12Å; F285-I494 HydrophobicContact CD1-CG2 3.65Å; F285-I494 WeakPolarHBondContact CD1-O 3.3Å; F285-I494 HydrophobicContact CG-CG2 4.39Å; F285-I494 WeakPolarHBondContact O-CG2 3.44Å; F285-A497 HydrophobicContact CE1-CB 3.67Å; F285-A497 HydrophobicContact CZ-CB 4.32Å; F285-C498 HydrophobicContact CB-CB 3.82Å; F285-C498 HydrophobicContact CD1-CB 3.77Å; F285-C498 HydrophobicContact CD2-CB 3.88Å; F285-C498 HydrophobicContact CE1-CB 4.34Å; F285-C498 HydrophobicContact CE2-CB 4.42Å; F285-C498 HydrophobicContact CG-CB 3.54Å; F285-A501 HydrophobicContact CE2-CB 3.89Å; F285-A501 HydrophobicContact CZ-CB 4.21Å
286	S	98.3	Very high	96.5	Very high	61 Å²	61	35.8 Å²	35.8	43%	0.427	20%	0.196	S	C	.	.	H	α-helix	trans	-68.1	-39.6	173.1	-61.6	0	0	0	0	112.1	I282 F283 I284 F289 A290	I282-S286 VanDerWaalsContact O-CB 3.27Å; I282-S286 WeakPolarHBondContact O-CB 3.4Å; I282-S286 PolarHBondContact O-N 2.88Å; I282-S286 PolarHBondContact O-OG 3.2Å; F283-S286 WeakPolarHBondContact O-CB 3.26Å; F283-S286 PolarHBondContact O-N 3.39Å; F283-S286 VanDerWaalsContact O-N 3.16Å; I284-S286 VanDerWaalsContact C-N 3.25Å; I284-S286 PolarHBondContact O-N 3.5Å; S286-F289 PolarHBondContact O-N 3.1Å; S286-A290 WeakPolarHBondContact O-CB 3.41Å; S286-A290 PolarHBondContact O-N 2.75Å
287	I	98	Very high	96.1	Very high	50 Å²	50	37.4 Å²	37.4	26%	0.256	20%	0.202	S	C	.	.	H	α-helix	trans	-62.1	-49.3	172	-67	168.1	0	0	0	109.6	F283 I284 F289 A290 S291 L457	F283-I287 HydrophobicContact CD1-CD1 3.76Å; F283-I287 HydrophobicContact CD1-CG1 4.41Å; F283-I287 HydrophobicContact CE1-CD1 3.5Å; F283-I287 VanDerWaalsContact CE1-CD1 3.5Å; F283-I287 HydrophobicContact CE1-CG1 4.25Å; F283-I287 HydrophobicContact CZ-CD1 4.3Å; F283-I287 PolarHBondContact O-N 3.08Å; I284-I287 PolarHBondContact O-N 3.41Å; I284-I287 VanDerWaalsContact O-N 3.17Å; I287-F289 VanDerWaalsContact C-N 3.29Å; I287-F289 PolarHBondContact O-N 2.99Å; I287-A290 PolarHBondContact O-N 3.4Å; I287-A290 VanDerWaalsContact O-N 3.17Å; I287-S291 WeakPolarHBondContact O-CB 3.4Å; I287-S291 PolarHBondContact O-N 3.44Å; I287-S291 PolarHBondContact O-OG 3.22Å; I287-L457 HydrophobicContact CB-CD2 4.3Å; I287-L457 HydrophobicContact CG2-CD1 3.97Å; I287-L457 HydrophobicContact CG2-CD2 3.86Å
288	L	98.1	Very high	95.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.9	-43.9	177.6	-69.6	171.8	0	0	0	111.7	I284 F285 S291 M292 L457 M461 L464 I494	I284-L288 HydrophobicContact CG2-CD1 4.26Å; I284-L288 WeakPolarHBondContact O-CG 3.36Å; I284-L288 PolarHBondContact O-N 3.39Å; F285-L288 HydrophobicContact CD1-CD1 4.39Å; F285-L288 PolarHBondContact O-N 3.21Å; L288-S291 PolarHBondContact O-N 2.85Å; L288-M292 HydrophobicContact CB-CE 4.06Å; L288-M292 WeakPolarHBondContact O-CB 3.14Å; L288-M292 WeakPolarHBondContact O-CG 3.45Å; L288-M292 PolarHBondContact O-N 2.97Å; L288-L457 HydrophobicContact CD2-CD2 3.85Å; L288-L457 HydrophobicContact CG-CD2 4.03Å; L288-M461 HydrophobicContact CD2-CG 3.8Å; L288-L464 HydrophobicContact CD1-CD1 3.95Å; L288-I494 HydrophobicContact CB-CD1 4.47Å
289	F	97.9	Very high	95.6	Very high	48 Å²	48	37.9 Å²	37.9	21%	0.211	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-50.1	174.7	175.6	-108.4	0	0	0	112.1	F285 S286 I287 S291 M292 R293 T490 L491 I494	F285-F289 WeakPolarHBondContact O-CB 3.28Å; F285-F289 PolarHBondContact O-N 3.35Å; S286-F289 PolarHBondContact O-N 3.1Å; I287-F289 VanDerWaalsContact C-N 3.29Å; I287-F289 PolarHBondContact O-N 2.99Å; F289-S291 VanDerWaalsContact C-N 3.27Å; F289-S291 PolarHBondContact O-N 3.01Å; F289-M292 PolarHBondContact O-N 2.91Å; F289-R293 HydrophobicContact CE2-CB 4.42Å; F289-R293 HydrophobicContact CE2-CG 4.34Å; F289-R293 HydrophobicContact CZ-CB 4.37Å; F289-R293 HydrophobicContact CZ-CG 4Å; F289-R293 WeakPolarHBondContact O-CA 3.25Å; F289-R293 VanDerWaalsContact O-CB 3.28Å; F289-R293 WeakPolarHBondContact O-CB 3.5Å; F289-R293 PolarHBondContact O-N 3.39Å; F289-T490 HydrophobicContact CD2-CG2 4.01Å; F289-T490 HydrophobicContact CE2-CG2 4.36Å; F289-L491 HydrophobicContact CD2-CB 4.26Å; F289-L491 HydrophobicContact CD2-CD1 4.12Å; F289-L491 HydrophobicContact CE1-CD1 4.46Å; F289-L491 HydrophobicContact CE2-CB 3.62Å; F289-L491 HydrophobicContact CE2-CD1 3.91Å; F289-L491 HydrophobicContact CE2-CG 4.33Å; F289-L491 HydrophobicContact CZ-CB 4.23Å; F289-L491 HydrophobicContact CZ-CD1 4.08Å; F289-I494 HydrophobicContact CB-CD1 4.05Å; F289-I494 HydrophobicContact CB-CG2 4.15Å; F289-I494 HydrophobicContact CD2-CD1 4.37Å
290	A	97.2	Very high	95.3	Very high	62 Å²	62	36 Å²	36	51%	0.512	19%	0.186	S	C	.	.	H	α-helix	trans	-58.6	-40.9	179.1	0	0	0	0	0	111.9	S286 I287	S286-A290 WeakPolarHBondContact O-CB 3.41Å; S286-A290 PolarHBondContact O-N 2.75Å; I287-A290 PolarHBondContact O-N 3.4Å; I287-A290 VanDerWaalsContact O-N 3.17Å
291	S	97	Very high	95.1	Very high	8 Å²	8	42.3 Å²	42.3	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-36.4	178.1	-58.3	0	0	0	0	113.1	I287 L288 F289 T298 S299	I287-S291 WeakPolarHBondContact O-CB 3.4Å; I287-S291 PolarHBondContact O-N 3.44Å; I287-S291 PolarHBondContact O-OG 3.22Å; L288-S291 PolarHBondContact O-N 2.85Å; F289-S291 VanDerWaalsContact C-N 3.27Å; F289-S291 PolarHBondContact O-N 3.01Å; S291-T298 CarbonylContact O-C 2.93Å; S291-T298 WeakPolarHBondContact O-CB 3.34Å; S291-T298 PolarHBondContact O-OG1 3.33Å; S291-S299 WeakPolarHBondContact O-CA 3.46Å; S291-S299 PolarHBondContact O-N 3.22Å
292	M	95.2	Very high	95	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-102.3	-6.7	-174.5	-64.7	-168.7	-76.4	0	0	114.9	L288 F289 N294 G295 M461 L464 E465 T490 I494	L288-M292 HydrophobicContact CB-CE 4.06Å; L288-M292 WeakPolarHBondContact O-CB 3.14Å; L288-M292 WeakPolarHBondContact O-CG 3.45Å; L288-M292 PolarHBondContact O-N 2.97Å; F289-M292 PolarHBondContact O-N 2.91Å; M292-N294 VanDerWaalsContact C-N 3.3Å; M292-N294 PolarHBondContact O-N 3.07Å; M292-G295 WeakPolarHBondContact O-CA 3.37Å; M292-G295 PolarHBondContact O-N 3.43Å; M292-M461 HydrophobicContact CG-CG 4.22Å; M292-M461 HydrophobicContact SD-CB 4.31Å; M292-M461 HydrophobicContact SD-CG 4.4Å; M292-L464 HydrophobicContact CE-CB 3.47Å; M292-L464 VanDerWaalsContact CE-CB 3.47Å; M292-L464 HydrophobicContact CE-CD1 3.67Å; M292-L464 HydrophobicContact CE-CG 4.21Å; M292-L464 HydrophobicContact SD-CB 3.96Å; M292-E465 HydrophobicContact SD-CB 4.43Å; M292-T490 HydrophobicContact CB-CG2 3.91Å; M292-I494 HydrophobicContact CE-CD1 3.27Å; M292-I494 HydrophobicContact CE-CG1 3.97Å
293	R	92.7	Very high	94.9	Very high	121 Å²	121	40.7 Å²	40.7	46%	0.457	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-45.2	-174.5	-178.5	-176.7	174.5	-166.4	-2.6	113.2	F289 G295 S487	F289-R293 HydrophobicContact CE2-CB 4.42Å; F289-R293 HydrophobicContact CE2-CG 4.34Å; F289-R293 HydrophobicContact CZ-CB 4.37Å; F289-R293 HydrophobicContact CZ-CG 4Å; F289-R293 WeakPolarHBondContact O-CA 3.25Å; F289-R293 VanDerWaalsContact O-CB 3.28Å; F289-R293 WeakPolarHBondContact O-CB 3.5Å; F289-R293 PolarHBondContact O-N 3.39Å; R293-G295 VanDerWaalsContact C-N 3.34Å; R293-S487 WeakPolarHBondContact CG-OG 3.37Å
294	N	90.2	Very high	94.9	Very high	86 Å²	86	39.8 Å²	39.8	46%	0.46	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	25.5	179	-57.7	-33.2	0	0	0	111.6	M292 T298	M292-N294 VanDerWaalsContact C-N 3.3Å; M292-N294 PolarHBondContact O-N 3.07Å; N294-T298 HydrophobicContact CB-CG2 3.72Å; N294-T298 PolarHBondContact N-OG1 2.93Å
295	G	88.8	Confident	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-144.1	180	0	0	0	0	0	114.7	M292 R293 K297 T298 S299 R486	M292-G295 WeakPolarHBondContact O-CA 3.37Å; M292-G295 PolarHBondContact O-N 3.43Å; R293-G295 VanDerWaalsContact C-N 3.34Å; G295-K297 PolarHBondContact O-N 3.47Å; G295-K297 VanDerWaalsContact O-N 3.11Å; G295-T298 PolarHBondContact O-N 3.42Å; G295-T298 VanDerWaalsContact O-N 3.13Å; G295-T298 PolarHBondContact O-OG1 3.09Å; G295-T298 VanDerWaalsContact O-OG1 3.09Å; G295-S299 PolarHBondContact O-N 3.27Å; G295-S299 VanDerWaalsContact O-N 3.12Å; G295-S299 PolarHBondContact O-OG 3.22Å; G295-R486 VanDerWaalsContact CA-CZ 3.47Å
296	V	89	Confident	94.7	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-20.6	-174.2	-66.5	0	0	0	0	114.1	E91 W93 S299 G300 Y372	E91-V296 HydrophobicContact CB-CG2 4.42Å; W93-V296 HydrophobicContact CD2-CB 4.08Å; W93-V296 HydrophobicContact CD2-CG1 4.37Å; W93-V296 HydrophobicContact CE3-CB 3.67Å; W93-V296 HydrophobicContact CE3-CG1 4.24Å; W93-V296 HydrophobicContact CE3-CG2 4.46Å; W93-V296 HydrophobicContact CH2-CB 3.76Å; W93-V296 HydrophobicContact CH2-CG1 3.48Å; W93-V296 VanDerWaalsContact CH2-CG1 3.48Å; W93-V296 HydrophobicContact CZ2-CB 4.13Å; W93-V296 HydrophobicContact CZ2-CG1 3.6Å; W93-V296 HydrophobicContact CZ3-CB 3.51Å; W93-V296 HydrophobicContact CZ3-CG1 3.82Å; V296-S299 WeakPolarHBondContact CA-OG 3.4Å; V296-G300 WeakPolarHBondContact O-CA 3.47Å; V296-G300 PolarHBondContact O-N 2.93Å; V296-Y372 HydrophobicContact CB-CG 4.35Å; V296-Y372 HydrophobicContact CG1-CD1 4.03Å; V296-Y372 HydrophobicContact CG1-CD2 3.36Å; V296-Y372 HydrophobicContact CG1-CE1 4.31Å; V296-Y372 HydrophobicContact CG1-CE2 3.66Å; V296-Y372 HydrophobicContact CG1-CG 3.56Å; V296-Y372 HydrophobicContact CG2-CD1 3.84Å; V296-Y372 HydrophobicContact CG2-CE1 4.44Å; V296-Y372 HydrophobicContact CG2-CG 3.94Å
297	K	89.1	Confident	94.6	Very high	87 Å²	87	41.2 Å²	41.2	38%	0.378	21%	0.208	S	C	.	.	H	α-helix	trans	-70.9	-29.9	177.3	-66.4	177.1	-178.8	152.5	0	113.5	E91 G295 K301	E91-K297 IonicContact OE1-NZ 3.92Å; E91-K297 PolarHBondContact OE1-NZ 3.5Å; G295-K297 PolarHBondContact O-N 3.47Å; G295-K297 VanDerWaalsContact O-N 3.11Å; K297-K301 WeakPolarHBondContact O-CE 3.3Å
298	T	92.4	Very high	94.6	Very high	33 Å²	33	42.8 Å²	42.8	20%	0.202	22%	0.216	C	C	.	.	H	α-helix	trans	-94.1	-45.5	174.9	42.3	0	0	0	0	111.1	S291 N294 G295 G300 K301 V302	S291-T298 CarbonylContact O-C 2.93Å; S291-T298 WeakPolarHBondContact O-CB 3.34Å; S291-T298 PolarHBondContact O-OG1 3.33Å; N294-T298 HydrophobicContact CB-CG2 3.72Å; N294-T298 PolarHBondContact N-OG1 2.93Å; G295-T298 PolarHBondContact O-N 3.42Å; G295-T298 VanDerWaalsContact O-N 3.13Å; G295-T298 PolarHBondContact O-OG1 3.09Å; G295-T298 VanDerWaalsContact O-OG1 3.09Å; T298-G300 VanDerWaalsContact C-N 3.32Å; T298-G300 PolarHBondContact O-N 3.47Å; T298-K301 PolarHBondContact O-N 2.91Å; T298-K301 VanDerWaalsContact O-N 3.08Å; T298-V302 WeakPolarHBondContact O-CG2 3.49Å; T298-V302 PolarHBondContact O-N 3.03Å; T298-V302 VanDerWaalsContact O-N 3.13Å
299	S	93.6	Very high	94.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-41.1	-179.4	60.7	0	0	0	0	111.2	S291 G295 V296 K301 V302 V303	S291-S299 WeakPolarHBondContact O-CA 3.46Å; S291-S299 PolarHBondContact O-N 3.22Å; G295-S299 PolarHBondContact O-N 3.27Å; G295-S299 VanDerWaalsContact O-N 3.12Å; G295-S299 PolarHBondContact O-OG 3.22Å; V296-S299 WeakPolarHBondContact CA-OG 3.4Å; S299-K301 PolarHBondContact O-N 3.46Å; S299-K301 VanDerWaalsContact O-N 3.08Å; S299-V302 PolarHBondContact O-N 3.23Å; S299-V303 WeakPolarHBondContact O-CG1 3.26Å; S299-V303 PolarHBondContact O-N 3.13Å
300	G	92.7	Very high	94.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58	-23	175.2	0	0	0	0	0	114.8	V296 T298 V303 Y304	V296-G300 WeakPolarHBondContact O-CA 3.47Å; V296-G300 PolarHBondContact O-N 2.93Å; T298-G300 VanDerWaalsContact C-N 3.32Å; T298-G300 PolarHBondContact O-N 3.47Å; G300-V303 WeakPolarHBondContact O-CG2 3.5Å; G300-Y304 WeakPolarHBondContact O-CD2 3.43Å; G300-Y304 VanDerWaalsContact O-CE2 3.31Å; G300-Y304 WeakPolarHBondContact O-CE2 3.14Å
301	K	95	Very high	94.6	Very high	139 Å²	139	42.8 Å²	42.8	60%	0.604	21%	0.205	S	C	*	.	H	α-helix	trans	-88.1	-39.1	173.8	-64.5	178.6	-175.9	179.3	0	112.1	K297 T298 S299 V303 Y304	K297-K301 WeakPolarHBondContact O-CE 3.3Å; T298-K301 PolarHBondContact O-N 2.91Å; T298-K301 VanDerWaalsContact O-N 3.08Å; S299-K301 PolarHBondContact O-N 3.46Å; S299-K301 VanDerWaalsContact O-N 3.08Å; K301-V303 VanDerWaalsContact C-N 3.3Å; K301-V303 PolarHBondContact O-N 2.93Å; K301-Y304 PolarHBondContact O-N 3.12Å
302	V	96.6	Very high	94.6	Very high	44 Å²	44	47.4 Å²	47.4	27%	0.267	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-37.9	179.1	174.6	0	0	0	0	110.8	T298 S299 Y304 V305 T306 M461	T298-V302 WeakPolarHBondContact O-CG2 3.49Å; T298-V302 PolarHBondContact O-N 3.03Å; T298-V302 VanDerWaalsContact O-N 3.13Å; S299-V302 PolarHBondContact O-N 3.23Å; V302-Y304 PolarHBondContact O-N 3.1Å; V302-Y304 VanDerWaalsContact O-N 3.14Å; V302-V305 PolarHBondContact O-N 3.29Å; V302-T306 HydrophobicContact CG1-CG2 3.88Å; V302-T306 PolarHBondContact O-N 3.44Å; V302-T306 VanDerWaalsContact O-N 3.08Å; V302-T306 PolarHBondContact O-OG1 2.97Å; V302-M461 HydrophobicContact CG1-CE 4.37Å; V302-M461 HydrophobicContact CG1-SD 4.35Å
303	V	96.4	Very high	94.7	Very high	1 Å²	1	48 Å²	48	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-22.7	179.9	-64.6	0	0	0	0	114.4	L101 S299 G300 K301 V305 T306 A307 M461	L101-V303 HydrophobicContact CB-CB 4.42Å; L101-V303 HydrophobicContact CB-CG2 4.01Å; S299-V303 WeakPolarHBondContact O-CG1 3.26Å; S299-V303 PolarHBondContact O-N 3.13Å; G300-V303 WeakPolarHBondContact O-CG2 3.5Å; K301-V303 VanDerWaalsContact C-N 3.3Å; K301-V303 PolarHBondContact O-N 2.93Å; V303-V305 PolarHBondContact O-N 3.23Å; V303-T306 VanDerWaalsContact CA-OG1 3.3Å; V303-T306 WeakPolarHBondContact CA-OG1 3.41Å; V303-A307 WeakPolarHBondContact O-CA 3.41Å; V303-A307 WeakPolarHBondContact O-CB 3.25Å; V303-A307 PolarHBondContact O-N 3.02Å; V303-M461 HydrophobicContact CG1-CE 3.87Å
304	Y	97	Very high	95	Very high	87 Å²	87	42.7 Å²	42.7	34%	0.341	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-30.2	172.4	-80.2	-94.5	0	0	0	112.6	C97 D98 L101 G300 K301 V302 L308	C97-Y304 HydrophobicContact CB-CE1 4.46Å; C97-Y304 WeakPolarHBondContact CB-OH 3.4Å; D98-Y304 WeakPolarHBondContact OD1-CE2 3.46Å; D98-Y304 PolarHBondContact OD1-OH 3.38Å; L101-Y304 HydrophobicContact CD1-CD1 3.62Å; L101-Y304 HydrophobicContact CD1-CD2 4.17Å; L101-Y304 HydrophobicContact CD1-CE1 3.65Å; L101-Y304 HydrophobicContact CD1-CE2 4.18Å; L101-Y304 HydrophobicContact CD1-CG 3.91Å; G300-Y304 WeakPolarHBondContact O-CD2 3.43Å; G300-Y304 VanDerWaalsContact O-CE2 3.31Å; G300-Y304 WeakPolarHBondContact O-CE2 3.14Å; K301-Y304 PolarHBondContact O-N 3.12Å; V302-Y304 PolarHBondContact O-N 3.1Å; V302-Y304 VanDerWaalsContact O-N 3.14Å; Y304-L308 HydrophobicContact CD1-CD1 4.41Å; Y304-L308 VanDerWaalsContact O-CB 3.3Å; Y304-L308 WeakPolarHBondContact O-CB 3.29Å; Y304-L308 WeakPolarHBondContact O-CD1 3.49Å; Y304-L308 WeakPolarHBondContact O-CG 3.48Å
305	V	97.4	Very high	95.3	Very high	88 Å²	88	39.5 Å²	39.5	53%	0.533	20%	0.201	S	C	.	.	H	α-helix	trans	-87.6	-54.4	174.2	-179.8	0	0	0	0	109.2	V302 V303 A307 L309	V302-V305 PolarHBondContact O-N 3.29Å; V303-V305 PolarHBondContact O-N 3.23Å; V305-A307 PolarHBondContact O-N 2.65Å; V305-L309 HydrophobicContact CG1-CD2 4.34Å; V305-L309 WeakPolarHBondContact O-CB 3.38Å; V305-L309 PolarHBondContact O-N 3.35Å
306	T	97	Very high	95.8	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-68.2	-33.3	-170.6	50.8	0	0	0	0	113.4	V302 V303 P310 M454 L457 D458	V302-T306 HydrophobicContact CG1-CG2 3.88Å; V302-T306 PolarHBondContact O-N 3.44Å; V302-T306 VanDerWaalsContact O-N 3.08Å; V302-T306 PolarHBondContact O-OG1 2.97Å; V303-T306 VanDerWaalsContact CA-OG1 3.3Å; V303-T306 WeakPolarHBondContact CA-OG1 3.41Å; T306-P310 WeakPolarHBondContact O-CD 3.44Å; T306-P310 WeakPolarHBondContact O-CG 3.38Å; T306-M454 HydrophobicContact CG2-SD 3.78Å; T306-L457 HydrophobicContact CG2-CB 4.4Å; T306-L457 HydrophobicContact CG2-CD1 4.25Å; T306-D458 WeakPolarHBondContact CB-OD1 3.48Å; T306-D458 PolarHBondContact OG1-OD1 2.93Å
307	A	96.5	Very high	96.2	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.033	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-29.8	179.8	0	0	0	0	0	113.5	V303 V305 Y311 D458	V303-A307 WeakPolarHBondContact O-CA 3.41Å; V303-A307 WeakPolarHBondContact O-CB 3.25Å; V303-A307 PolarHBondContact O-N 3.02Å; V305-A307 PolarHBondContact O-N 2.65Å; A307-Y311 VanDerWaalsContact O-CD2 3.28Å; A307-Y311 WeakPolarHBondContact O-CD2 3.4Å; A307-Y311 WeakPolarHBondContact O-CE2 3.29Å; A307-D458 VanDerWaalsContact CA-OD2 3.25Å; A307-D458 WeakPolarHBondContact CA-OD2 3.48Å; A307-D458 PolarHBondContact N-OD2 3.44Å; A307-D458 VanDerWaalsContact N-OD2 3.14Å
308	L	97	Very high	96.6	Very high	83 Å²	83	39.9 Å²	39.9	44%	0.435	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-37.2	-178.3	-61.2	-179.8	0	0	0	113.1	L101 Y304 P310 Y311	L101-L308 HydrophobicContact CD2-CD2 3.77Å; L101-L308 HydrophobicContact CD2-CG 4.35Å; Y304-L308 HydrophobicContact CD1-CD1 4.41Å; Y304-L308 VanDerWaalsContact O-CB 3.3Å; Y304-L308 WeakPolarHBondContact O-CB 3.29Å; Y304-L308 WeakPolarHBondContact O-CD1 3.49Å; Y304-L308 WeakPolarHBondContact O-CG 3.48Å; L308-P310 VanDerWaalsContact C-CD 3.46Å; L308-Y311 PolarHBondContact O-N 3.33Å
309	L	97.5	Very high	96.9	Very high	41 Å²	41	44.1 Å²	44.1	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-37.8	-178.5	-175.1	58.6	0	0	0	113.3	V305 Y311 L312 L313 M450 M454	V305-L309 HydrophobicContact CG1-CD2 4.34Å; V305-L309 WeakPolarHBondContact O-CB 3.38Å; V305-L309 PolarHBondContact O-N 3.35Å; L309-Y311 PolarHBondContact O-N 3.31Å; L309-L312 HydrophobicContact CD1-CB 4.41Å; L309-L312 HydrophobicContact CD1-CD2 3.99Å; L309-L312 WeakPolarHBondContact O-CB 3.26Å; L309-L312 PolarHBondContact O-N 3.36Å; L309-L312 VanDerWaalsContact O-N 3.09Å; L309-L313 HydrophobicContact CD1-CD1 4.29Å; L309-L313 HydrophobicContact CD1-CD2 4.15Å; L309-L313 HydrophobicContact CD1-CG 3.96Å; L309-L313 HydrophobicContact CD2-CD1 4.26Å; L309-L313 HydrophobicContact CG-CD1 3.77Å; L309-L313 HydrophobicContact CG-CG 3.94Å; L309-L313 WeakPolarHBondContact O-CG 3.34Å; L309-L313 PolarHBondContact O-N 2.85Å; L309-M450 HydrophobicContact CD2-CE 3.99Å; L309-M450 HydrophobicContact CD2-CG 4.41Å; L309-M454 HydrophobicContact CB-CG 4.47Å; L309-M454 HydrophobicContact CD2-CG 4.03Å; L309-M454 HydrophobicContact CD2-SD 4.07Å; L309-M454 HydrophobicContact CG-CG 4.46Å
310	P	97.4	Very high	97.1	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-52.5	-38.6	174.7	-31.7	37.5	0	0	0	114.4	T306 L308 L313 L314 L451 M454 L455	T306-P310 WeakPolarHBondContact O-CD 3.44Å; T306-P310 WeakPolarHBondContact O-CG 3.38Å; L308-P310 VanDerWaalsContact C-CD 3.46Å; P310-L313 PolarHBondContact O-N 2.88Å; P310-L314 WeakPolarHBondContact O-CB 3.49Å; P310-L314 WeakPolarHBondContact O-CD1 3.33Å; P310-L314 PolarHBondContact O-N 3.3Å; P310-L451 HydrophobicContact CB-CD1 3.61Å; P310-L451 HydrophobicContact CG-CD1 4.35Å; P310-M454 HydrophobicContact CG-CB 3.84Å; P310-L455 HydrophobicContact CB-CD2 3.86Å; P310-L455 HydrophobicContact CB-CG 4.38Å; P310-L455 HydrophobicContact CG-CD2 3.93Å; P310-L455 HydrophobicContact CG-CG 4.33Å
311	Y	97.4	Very high	97.3	Very high	64 Å²	64	45.2 Å²	45.2	25%	0.251	23%	0.232	S	C	.	.	H	α-helix	trans	-67	-41.2	178.2	-65.3	-82	0	0	0	112.2	A307 L308 L309 G315 V389 T393	A307-Y311 VanDerWaalsContact O-CD2 3.28Å; A307-Y311 WeakPolarHBondContact O-CD2 3.4Å; A307-Y311 WeakPolarHBondContact O-CE2 3.29Å; L308-Y311 PolarHBondContact O-N 3.33Å; L309-Y311 PolarHBondContact O-N 3.31Å; Y311-G315 PolarHBondContact O-N 2.83Å; Y311-V389 HydrophobicContact CE1-CG1 4.37Å; Y311-V389 VanDerWaalsContact OH-CG1 3.27Å; Y311-V389 WeakPolarHBondContact OH-CG1 3.39Å; Y311-T393 HydrophobicContact CE1-CG2 4.23Å; Y311-T393 VanDerWaalsContact CE1-OG1 3.31Å; Y311-T393 WeakPolarHBondContact CE1-OG1 3.36Å; Y311-T393 PolarHBondContact OH-OG1 3Å
312	L	98	Very high	97.5	Very high	105 Å²	105	43 Å²	43	55%	0.55	23%	0.226	S	C	.	.	H	α-helix	trans	-63.2	-47.5	174.7	178	64.9	0	0	0	110.7	L309 G315 I316	L309-L312 HydrophobicContact CD1-CB 4.41Å; L309-L312 HydrophobicContact CD1-CD2 3.99Å; L309-L312 WeakPolarHBondContact O-CB 3.26Å; L309-L312 PolarHBondContact O-N 3.36Å; L309-L312 VanDerWaalsContact O-N 3.09Å; L312-G315 PolarHBondContact O-N 3.5Å; L312-I316 HydrophobicContact CD1-CD1 4.15Å; L312-I316 HydrophobicContact CG-CD1 4.04Å; L312-I316 WeakPolarHBondContact O-CG1 3.46Å; L312-I316 PolarHBondContact O-N 3.34Å
313	L	98.2	Very high	97.5	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-42.9	-178.8	-60.8	176.7	0	0	0	111.8	L309 P310 G315 I316 L317 I447 M450 L451	L309-L313 HydrophobicContact CD1-CD1 4.29Å; L309-L313 HydrophobicContact CD1-CD2 4.15Å; L309-L313 HydrophobicContact CD1-CG 3.96Å; L309-L313 HydrophobicContact CD2-CD1 4.26Å; L309-L313 HydrophobicContact CG-CD1 3.77Å; L309-L313 HydrophobicContact CG-CG 3.94Å; L309-L313 WeakPolarHBondContact O-CG 3.34Å; L309-L313 PolarHBondContact O-N 2.85Å; P310-L313 PolarHBondContact O-N 2.88Å; L313-G315 VanDerWaalsContact C-N 3.32Å; L313-G315 PolarHBondContact O-N 3.34Å; L313-I316 PolarHBondContact O-N 3.34Å; L313-L317 WeakPolarHBondContact O-CB 3.29Å; L313-L317 WeakPolarHBondContact O-CG 3.38Å; L313-L317 PolarHBondContact O-N 2.92Å; L313-I447 HydrophobicContact CB-CG2 4.17Å; L313-I447 HydrophobicContact CD2-CG1 4.5Å; L313-I447 HydrophobicContact CD2-CG2 3.9Å; L313-M450 HydrophobicContact CD1-CB 4.16Å; L313-M450 HydrophobicContact CD1-CG 4.06Å; L313-L451 HydrophobicContact CB-CB 4.06Å; L313-L451 HydrophobicContact CB-CD1 4.39Å; L313-L451 HydrophobicContact CD1-CB 3.82Å
314	L	97.1	Very high	97.6	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-43	171.7	-104.2	87.7	0	0	0	111.3	P310 L317 L318 F396 A397 L451	P310-L314 WeakPolarHBondContact O-CB 3.49Å; P310-L314 WeakPolarHBondContact O-CD1 3.33Å; P310-L314 PolarHBondContact O-N 3.3Å; L314-L317 PolarHBondContact O-N 2.87Å; L314-L318 VanDerWaalsContact O-CB 3.32Å; L314-L318 WeakPolarHBondContact O-CB 3.35Å; L314-L318 PolarHBondContact O-N 3.31Å; L314-F396 HydrophobicContact CB-CD1 4.07Å; L314-F396 HydrophobicContact CB-CE1 3.38Å; L314-F396 HydrophobicContact CB-CZ 3.83Å; L314-F396 HydrophobicContact CD2-CD1 3.36Å; L314-F396 HydrophobicContact CD2-CE1 3.63Å; L314-F396 HydrophobicContact CD2-CG 3.99Å; L314-F396 HydrophobicContact CD2-CZ 4.43Å; L314-F396 HydrophobicContact CG-CD1 4.36Å; L314-F396 HydrophobicContact CG-CE1 4.14Å; L314-A397 HydrophobicContact CD2-CB 3.84Å; L314-L451 HydrophobicContact CD1-CD1 3.4Å; L314-L451 HydrophobicContact CD1-CD2 3.5Å; L314-L451 HydrophobicContact CD1-CG 4.06Å; L314-L451 HydrophobicContact CG-CD2 4.38Å
315	G	98.1	Very high	97.6	Very high	20 Å²	20	48.1 Å²	48.1	21%	0.206	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-46.5	178.7	0	0	0	0	0	112.1	Y311 L312 L313 L318 I319	Y311-G315 PolarHBondContact O-N 2.83Å; L312-G315 PolarHBondContact O-N 3.5Å; L313-G315 VanDerWaalsContact C-N 3.32Å; L313-G315 PolarHBondContact O-N 3.34Å; G315-L318 PolarHBondContact O-N 3.29Å; G315-I319 VanDerWaalsContact O-CG1 3.29Å; G315-I319 WeakPolarHBondContact O-CG1 3.5Å; G315-I319 PolarHBondContact O-N 3.17Å
316	I	98.3	Very high	97.6	Very high	62 Å²	62	44.8 Å²	44.8	32%	0.318	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-47.2	176.2	-67.6	165.8	0	0	0	110.8	L312 L313 L318 I319 N320 W444 I447	L312-I316 HydrophobicContact CD1-CD1 4.15Å; L312-I316 HydrophobicContact CG-CD1 4.04Å; L312-I316 WeakPolarHBondContact O-CG1 3.46Å; L312-I316 PolarHBondContact O-N 3.34Å; L313-I316 PolarHBondContact O-N 3.34Å; I316-L318 VanDerWaalsContact C-N 3.32Å; I316-L318 PolarHBondContact O-N 2.93Å; I316-I319 PolarHBondContact O-N 3.43Å; I316-N320 PolarHBondContact O-N 3.3Å; I316-N320 VanDerWaalsContact O-N 3.16Å; I316-W444 HydrophobicContact CG2-CZ3 3.95Å; I316-I447 HydrophobicContact CG2-CD1 3.99Å
317	L	97.7	Very high	97.6	Very high	6 Å²	6	45 Å²	45	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-38.3	178.4	-72.7	174.2	0	0	0	112.1	L313 L314 G321 T400 Y404 W444 I447 F448 L451	L313-L317 WeakPolarHBondContact O-CB 3.29Å; L313-L317 WeakPolarHBondContact O-CG 3.38Å; L313-L317 PolarHBondContact O-N 2.92Å; L314-L317 PolarHBondContact O-N 2.87Å; L317-G321 PolarHBondContact O-N 3.36Å; L317-T400 HydrophobicContact CB-CG2 3.85Å; L317-Y404 HydrophobicContact CB-CE2 4.3Å; L317-Y404 VanDerWaalsContact O-CE2 3.27Å; L317-Y404 WeakPolarHBondContact O-CE2 3.42Å; L317-Y404 PolarHBondContact O-OH 3.26Å; L317-W444 HydrophobicContact CD2-CE3 4.3Å; L317-I447 HydrophobicContact CD1-CG2 4.13Å; L317-I447 HydrophobicContact CD2-CG2 3.86Å; L317-I447 HydrophobicContact CG-CG2 3.72Å; L317-F448 HydrophobicContact CD1-CB 4.43Å; L317-F448 HydrophobicContact CD1-CD2 4.21Å; L317-L451 HydrophobicContact CD1-CD2 3.98Å
318	L	98	Very high	97.6	Very high	28 Å²	28	52.1 Å²	52.1	15%	0.147	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-48.1	177.7	179.4	61.8	0	0	0	111.3	L314 G315 I316 N320 G321 L322 F396 V399 T400	L314-L318 VanDerWaalsContact O-CB 3.32Å; L314-L318 WeakPolarHBondContact O-CB 3.35Å; L314-L318 PolarHBondContact O-N 3.31Å; G315-L318 PolarHBondContact O-N 3.29Å; I316-L318 VanDerWaalsContact C-N 3.32Å; I316-L318 PolarHBondContact O-N 2.93Å; L318-N320 PolarHBondContact O-N 3.48Å; L318-G321 PolarHBondContact O-N 3.42Å; L318-L322 HydrophobicContact CD1-CD1 4.04Å; L318-L322 HydrophobicContact CD1-CD2 4.21Å; L318-L322 HydrophobicContact CD1-CG 3.84Å; L318-L322 HydrophobicContact CD2-CD1 4.43Å; L318-L322 HydrophobicContact CG-CD1 3.89Å; L318-L322 HydrophobicContact CG-CG 4.14Å; L318-L322 VanDerWaalsContact O-CG 3.3Å; L318-L322 WeakPolarHBondContact O-CG 3.3Å; L318-L322 PolarHBondContact O-N 3.29Å; L318-F396 HydrophobicContact CB-CE2 4.43Å; L318-F396 HydrophobicContact CD2-CD2 4.04Å; L318-F396 HydrophobicContact CD2-CE2 3.48Å; L318-F396 VanDerWaalsContact CD2-CE2 3.48Å; L318-V399 HydrophobicContact CD1-CG1 3.83Å; L318-T400 HydrophobicContact CB-CG2 4.28Å; L318-T400 WeakPolarHBondContact CB-OG1 3.27Å
319	I	98.3	Very high	97.6	Very high	122 Å²	122	52.7 Å²	52.7	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-55.5	-46.3	179.3	-70.3	165.5	0	0	0	109.6	G315 I316 T323	G315-I319 VanDerWaalsContact O-CG1 3.29Å; G315-I319 WeakPolarHBondContact O-CG1 3.5Å; G315-I319 PolarHBondContact O-N 3.17Å; I316-I319 PolarHBondContact O-N 3.43Å; I319-T323 WeakPolarHBondContact O-CG2 3.21Å
320	N	97.6	Very high	97.5	Very high	23 Å²	23	50.8 Å²	50.8	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-45.3	174	-176.6	66.8	0	0	0	112.3	I316 L318 L322 T323 L324 Y404 W444	I316-N320 PolarHBondContact O-N 3.3Å; I316-N320 VanDerWaalsContact O-N 3.16Å; L318-N320 PolarHBondContact O-N 3.48Å; N320-L322 PolarHBondContact O-N 3.3Å; N320-T323 PolarHBondContact O-N 3.07Å; N320-T323 PolarHBondContact O-OG1 2.91Å; N320-L324 WeakPolarHBondContact O-CG 3.38Å; N320-Y404 PolarHBondContact ND2-OH 2.74Å; N320-W444 HydrophobicContact CB-CE3 4.22Å; N320-W444 HydrophobicContact CB-CH2 3.45Å; N320-W444 VanDerWaalsContact CB-CH2 3.45Å; N320-W444 HydrophobicContact CB-CZ2 4.12Å; N320-W444 HydrophobicContact CB-CZ3 3.5Å; N320-W444 VanDerWaalsContact CB-CZ3 3.5Å; N320-W444 VanDerWaalsContact CG-CH2 3.42Å; N320-W444 WeakPolarHBondContact OD1-CH2 3.41Å; N320-W444 VanDerWaalsContact OD1-CZ2 3.31Å; N320-W444 WeakPolarHBondContact OD1-CZ2 3.37Å
321	G	97.8	Very high	97.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.6	-35.5	179.8	0	0	0	0	0	113.2	L317 L318 T323 L324 S327	L317-G321 PolarHBondContact O-N 3.36Å; L318-G321 PolarHBondContact O-N 3.42Å; G321-T323 VanDerWaalsContact C-N 3.35Å; G321-L324 PolarHBondContact O-N 2.91Å; G321-S327 WeakPolarHBondContact O-CB 3.19Å; G321-S327 PolarHBondContact O-OG 3.27Å
322	L	98.1	Very high	97.5	Very high	93 Å²	93	54 Å²	54	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-72.1	-23	178.2	-69.7	173.9	0	0	0	113.8	L318 N320 L324 I331	L318-L322 HydrophobicContact CD1-CD1 4.04Å; L318-L322 HydrophobicContact CD1-CD2 4.21Å; L318-L322 HydrophobicContact CD1-CG 3.84Å; L318-L322 HydrophobicContact CD2-CD1 4.43Å; L318-L322 HydrophobicContact CG-CD1 3.89Å; L318-L322 HydrophobicContact CG-CG 4.14Å; L318-L322 VanDerWaalsContact O-CG 3.3Å; L318-L322 WeakPolarHBondContact O-CG 3.3Å; L318-L322 PolarHBondContact O-N 3.29Å; N320-L322 PolarHBondContact O-N 3.3Å; L322-L324 VanDerWaalsContact C-N 3.31Å; L322-I331 HydrophobicContact CD2-CD1 3.51Å
323	T	97.6	Very high	97.3	Very high	101 Å²	101	51.8 Å²	51.8	62%	0.62	26%	0.264	S	S	*	.	H	α-helix	trans	-83.6	-8.6	176.9	64.3	0	0	0	0	112.9	I319 N320 G321	I319-T323 WeakPolarHBondContact O-CG2 3.21Å; N320-T323 PolarHBondContact O-N 3.07Å; N320-T323 PolarHBondContact O-OG1 2.91Å; G321-T323 VanDerWaalsContact C-N 3.35Å
324	L	97.6	Very high	97.2	Very high	23 Å²	23	51.2 Å²	51.2	12%	0.12	26%	0.261	C	S	.	.	S	Bend	trans	-81.4	141	-178.7	-57.4	176.1	0	0	0	112.2	N320 G321 L322 S327 Y404 Y407 L438	N320-L324 WeakPolarHBondContact O-CG 3.38Å; G321-L324 PolarHBondContact O-N 2.91Å; L322-L324 VanDerWaalsContact C-N 3.31Å; L324-S327 VanDerWaalsContact O-CB 3.26Å; L324-S327 WeakPolarHBondContact O-CB 3.43Å; L324-S327 PolarHBondContact O-N 2.94Å; L324-S327 PolarHBondContact O-OG 3.36Å; L324-Y404 HydrophobicContact CD1-CD1 4.05Å; L324-Y404 HydrophobicContact CD1-CE1 3.94Å; L324-Y407 HydrophobicContact CB-CD2 3.72Å; L324-Y407 HydrophobicContact CB-CE2 4.45Å; L324-Y407 HydrophobicContact CB-CG 3.82Å; L324-Y407 HydrophobicContact CD1-CD1 3.77Å; L324-Y407 HydrophobicContact CD1-CD2 4.28Å; L324-Y407 HydrophobicContact CD1-CE1 4.3Å; L324-Y407 HydrophobicContact CD1-CG 3.74Å; L324-Y407 HydrophobicContact CD2-CD2 4.48Å; L324-Y407 HydrophobicContact CD2-CE2 4.44Å; L324-Y407 HydrophobicContact CG-CD2 4.36Å; L324-Y407 HydrophobicContact CG-CG 4.28Å; L324-L438 HydrophobicContact CD1-CD2 3.86Å; L324-L438 HydrophobicContact CD2-CD2 3.58Å; L324-L438 HydrophobicContact CG-CD2 4.38Å
325	N	97.4	Very high	97.1	Very high	116 Å²	116	54 Å²	54	62%	0.62	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	134.2	177.3	-69.3	-22.9	0	0	0	111.4	S327 Y407	N325-S327 PolarHBondContact O-N 2.78Å; N325-Y407 WeakPolarHBondContact O-CA 3.33Å
326	G	96.5	Very high	97	Very high	17 Å²	17	58.4 Å²	58.4	18%	0.175	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	-6.3	-179.5	0	0	0	0	0	115.4	Y328 N329 G406	G326-Y328 PolarHBondContact O-N 3.12Å; G326-N329 WeakPolarHBondContact O-CB 3.5Å; G326-N329 PolarHBondContact O-N 2.88Å; G326-G406 CarbonylContact O-C 3.31Å; G326-G406 VanDerWaalsContact O-C 3.31Å; G326-G406 WeakPolarHBondContact O-CA 3.41Å
327	S	97.4	Very high	96.9	Very high	10 Å²	10	58.2 Å²	58.2	7%	0.07	29%	0.292	C	S	.	.	H	α-helix	trans	-53.6	-40.5	176.7	59.5	0	0	0	0	112.9	G321 L324 N325 N329 G330 I331 A403	G321-S327 WeakPolarHBondContact O-CB 3.19Å; G321-S327 PolarHBondContact O-OG 3.27Å; L324-S327 VanDerWaalsContact O-CB 3.26Å; L324-S327 WeakPolarHBondContact O-CB 3.43Å; L324-S327 PolarHBondContact O-N 2.94Å; L324-S327 PolarHBondContact O-OG 3.36Å; N325-S327 PolarHBondContact O-N 2.78Å; S327-N329 VanDerWaalsContact C-N 3.28Å; S327-N329 PolarHBondContact O-N 3.11Å; S327-G330 PolarHBondContact O-N 3.36Å; S327-G330 VanDerWaalsContact O-N 3.08Å; S327-I331 PolarHBondContact O-N 2.62Å; S327-A403 WeakPolarHBondContact CA-O 3.31Å; S327-A403 WeakPolarHBondContact CB-O 3.22Å
328	Y	97.1	Very high	96.8	Very high	153 Å²	153	61.9 Å²	61.9	60%	0.6	31%	0.305	S	S	*	.	H	α-helix	trans	-56.7	-38.4	176.2	-179	-97.4	0	0	0	112.9	G326 G330 I331 W332	G326-Y328 PolarHBondContact O-N 3.12Å; Y328-G330 VanDerWaalsContact C-N 3.3Å; Y328-G330 PolarHBondContact O-N 2.91Å; Y328-I331 PolarHBondContact O-N 3.42Å; Y328-W332 HydrophobicContact CE1-CB 4.34Å; Y328-W332 VanDerWaalsContact O-CB 3.24Å; Y328-W332 WeakPolarHBondContact O-CB 3.17Å; Y328-W332 PolarHBondContact O-N 3.34Å
329	N	95.7	Very high	96.8	Very high	96 Å²	96	66.8 Å²	66.8	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-38.3	178.4	-68.4	-22.4	0	0	0	111.2	G326 S327 Y333	G326-N329 WeakPolarHBondContact O-CB 3.5Å; G326-N329 PolarHBondContact O-N 2.88Å; S327-N329 VanDerWaalsContact C-N 3.28Å; S327-N329 PolarHBondContact O-N 3.11Å; N329-Y333 VanDerWaalsContact O-CB 3.23Å; N329-Y333 WeakPolarHBondContact O-CB 3.49Å; N329-Y333 PolarHBondContact O-N 2.93Å
330	G	96.5	Very high	96.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-48.8	174.6	0	0	0	0	0	112.2	S327 Y328 W332 Y333 F334 F402	S327-G330 PolarHBondContact O-N 3.36Å; S327-G330 VanDerWaalsContact O-N 3.08Å; Y328-G330 VanDerWaalsContact C-N 3.3Å; Y328-G330 PolarHBondContact O-N 2.91Å; G330-W332 VanDerWaalsContact C-N 3.32Å; G330-W332 PolarHBondContact O-N 3.34Å; G330-Y333 WeakPolarHBondContact O-CB 3.25Å; G330-Y333 PolarHBondContact O-N 3.12Å; G330-Y333 VanDerWaalsContact O-N 3.14Å; G330-F334 PolarHBondContact O-N 3.47Å; G330-F402 WeakPolarHBondContact CA-O 3.33Å; G330-F402 VanDerWaalsContact O-CD1 3.3Å; G330-F402 WeakPolarHBondContact O-CD1 3.41Å
331	I	97.5	Very high	96.6	Very high	22 Å²	22	67.2 Å²	67.2	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-44.9	177.8	-63.9	168.9	0	0	0	110.6	L322 S327 Y328 Y333 F334 I335 V399 A403	L322-I331 HydrophobicContact CD2-CD1 3.51Å; S327-I331 PolarHBondContact O-N 2.62Å; Y328-I331 PolarHBondContact O-N 3.42Å; I331-Y333 VanDerWaalsContact C-N 3.33Å; I331-Y333 PolarHBondContact O-N 3.06Å; I331-F334 WeakPolarHBondContact O-CB 3.11Å; I331-F334 PolarHBondContact O-N 3.13Å; I331-I335 HydrophobicContact CG2-CD1 4.42Å; I331-I335 WeakPolarHBondContact O-CG1 3.39Å; I331-I335 PolarHBondContact O-N 2.86Å; I331-V399 HydrophobicContact CD1-CG1 4.08Å; I331-V399 HydrophobicContact CG1-CG1 4.17Å; I331-V399 HydrophobicContact CG2-CG1 4.25Å; I331-A403 HydrophobicContact CD1-CB 4.06Å; I331-A403 HydrophobicContact CG1-CB 4.2Å
332	W	97.3	Very high	96.5	Very high	114 Å²	114	69.1 Å²	69.1	43%	0.432	34%	0.336	S	S	.	.	H	α-helix	trans	-61.6	-41.9	175.8	-175.8	-118.5	0	0	0	111.5	Y328 G330 F334 I335 K336	Y328-W332 HydrophobicContact CE1-CB 4.34Å; Y328-W332 VanDerWaalsContact O-CB 3.24Å; Y328-W332 WeakPolarHBondContact O-CB 3.17Å; Y328-W332 PolarHBondContact O-N 3.34Å; G330-W332 VanDerWaalsContact C-N 3.32Å; G330-W332 PolarHBondContact O-N 3.34Å; W332-F334 VanDerWaalsContact C-N 3.26Å; W332-F334 PolarHBondContact O-N 3.17Å; W332-I335 HydrophobicContact CE3-CD1 3.98Å; W332-I335 HydrophobicContact CE3-CG1 3.88Å; W332-I335 HydrophobicContact CZ3-CD1 4.29Å; W332-I335 HydrophobicContact CZ3-CG1 4.29Å; W332-I335 PolarHBondContact O-N 2.92Å; W332-K336 HydrophobicContact CZ2-CG 4.32Å; W332-K336 WeakPolarHBondContact O-CB 3.44Å; W332-K336 PolarHBondContact O-N 2.87Å
333	Y	93	Very high	96.4	Very high	59 Å²	59	69.7 Å²	69.7	23%	0.231	35%	0.349	C	S	.	.	H	α-helix	trans	-60.8	-34.9	176.2	-170.3	-93.8	0	0	0	112.5	F121 N329 G330 I331 F402 V416 E417	F121-Y333 HydrophobicContact CD2-CD1 4.25Å; F121-Y333 AromaticContact CD2-CE1 3.39Å; F121-Y333 HydrophobicContact CD2-CE1 3.39Å; F121-Y333 AromaticContact CE2-CE1 3.77Å; F121-Y333 HydrophobicContact CE2-CE1 3.77Å; F121-Y333 HydrophobicContact CG-CE1 4.1Å; N329-Y333 VanDerWaalsContact O-CB 3.23Å; N329-Y333 WeakPolarHBondContact O-CB 3.49Å; N329-Y333 PolarHBondContact O-N 2.93Å; G330-Y333 WeakPolarHBondContact O-CB 3.25Å; G330-Y333 PolarHBondContact O-N 3.12Å; G330-Y333 VanDerWaalsContact O-N 3.14Å; I331-Y333 VanDerWaalsContact C-N 3.33Å; I331-Y333 PolarHBondContact O-N 3.06Å; Y333-F402 AromaticContact CD1-CE1 3.83Å; Y333-F402 HydrophobicContact CD1-CE1 3.83Å; Y333-F402 HydrophobicContact CE1-CE1 4.48Å; Y333-V416 HydrophobicContact CD1-CB 3.95Å; Y333-V416 HydrophobicContact CD1-CG1 3.51Å; Y333-V416 HydrophobicContact CD2-CB 4.18Å; Y333-V416 HydrophobicContact CE1-CB 4.4Å; Y333-V416 HydrophobicContact CE1-CG1 4.13Å; Y333-V416 HydrophobicContact CG-CB 3.82Å; Y333-V416 HydrophobicContact CG-CG1 3.79Å; Y333-V416 HydrophobicContact CG-CG2 4.42Å; Y333-E417 VanDerWaalsContact OH-CB 3.3Å; Y333-E417 WeakPolarHBondContact OH-CB 3.31Å; Y333-E417 WeakPolarHBondContact OH-CG 3.31Å; Y333-E417 PolarHBondContact OH-OE2 3.14Å
334	F	95.7	Very high	96.2	Very high	2 Å²	2	68.7 Å²	68.7	1%	0.009	34%	0.337	C	S	.	.	H	α-helix	trans	-69.5	-46.5	174.1	170.3	-118.9	0	0	0	113.3	F116 P117 C120 G125 G330 I331 W332 V399 F402	F116-F334 HydrophobicContact CE1-CE2 4.23Å; F116-F334 AromaticContact CE1-CZ 3.98Å; F116-F334 HydrophobicContact CE1-CZ 3.98Å; P117-F334 HydrophobicContact CB-CE2 4.47Å; C120-F334 HydrophobicContact CB-CD2 4.39Å; C120-F334 HydrophobicContact CB-CE2 3.72Å; C120-F334 VanDerWaalsContact SG-CE2 3.56Å; G125-F334 CarbonylContact C-O 3.49Å; G125-F334 WeakPolarHBondContact CA-O 3.5Å; G330-F334 PolarHBondContact O-N 3.47Å; I331-F334 WeakPolarHBondContact O-CB 3.11Å; I331-F334 PolarHBondContact O-N 3.13Å; W332-F334 VanDerWaalsContact C-N 3.26Å; W332-F334 PolarHBondContact O-N 3.17Å; F334-V399 HydrophobicContact CD1-CG2 4.23Å; F334-V399 HydrophobicContact CE1-CG2 3.98Å; F334-F402 HydrophobicContact CB-CB 3.94Å; F334-F402 HydrophobicContact CB-CD1 3.89Å; F334-F402 HydrophobicContact CB-CD2 3.63Å; F334-F402 HydrophobicContact CB-CE1 4.27Å; F334-F402 HydrophobicContact CB-CE2 4Å; F334-F402 HydrophobicContact CB-CG 3.54Å; F334-F402 HydrophobicContact CB-CZ 4.3Å; F334-F402 AromaticContact CD2-CD2 3.75Å; F334-F402 HydrophobicContact CD2-CD2 3.75Å; F334-F402 AromaticContact CD2-CE2 3.66Å; F334-F402 HydrophobicContact CD2-CE2 3.66Å; F334-F402 HydrophobicContact CD2-CZ 4.4Å; F334-F402 AromaticContact CG-CD2 3.78Å; F334-F402 HydrophobicContact CG-CD2 3.78Å; F334-F402 HydrophobicContact CG-CE2 4.11Å; F334-F402 HydrophobicContact CG-CG 4.17Å
335	I	95	Very high	95.9	Very high	68 Å²	68	73.9 Å²	73.9	35%	0.349	36%	0.362	S	S	.	.	H	α-helix	trans	-91.2	-14.9	-172.8	69.3	-178	0	0	0	114.4	G126 I331 W332 P337	G126-I335 VanDerWaalsContact CA-O 3.23Å; G126-I335 WeakPolarHBondContact CA-O 3.32Å; G126-I335 PolarHBondContact N-O 2.74Å; G126-I335 VanDerWaalsContact N-O 3.16Å; I331-I335 HydrophobicContact CG2-CD1 4.42Å; I331-I335 WeakPolarHBondContact O-CG1 3.39Å; I331-I335 PolarHBondContact O-N 2.86Å; W332-I335 HydrophobicContact CE3-CD1 3.98Å; W332-I335 HydrophobicContact CE3-CG1 3.88Å; W332-I335 HydrophobicContact CZ3-CD1 4.29Å; W332-I335 HydrophobicContact CZ3-CG1 4.29Å; W332-I335 PolarHBondContact O-N 2.92Å; I335-P337 VanDerWaalsContact O-CD 3.29Å; I335-P337 WeakPolarHBondContact O-CD 3.25Å; I335-P337 VanDerWaalsContact O-N 3.11Å
336	K	95.9	Very high	95.6	Very high	112 Å²	112	72 Å²	72	49%	0.487	36%	0.355	S	S	.	.			trans	-58.5	116.2	-177.1	-178.5	179	-178	-177.2	0	110.2	W332	W332-K336 HydrophobicContact CZ2-CG 4.32Å; W332-K336 WeakPolarHBondContact O-CB 3.44Å; W332-K336 PolarHBondContact O-N 2.87Å
337	P	96.7	Very high	95.5	Very high	58 Å²	58	71.2 Å²	71.2	38%	0.377	35%	0.347	S	S	.	.			trans	-77	130	-174.9	30	-33.7	0	0	0	111.2	A127 I335 F339	A127-P337 HydrophobicContact CB-CB 4.25Å; I335-P337 VanDerWaalsContact O-CD 3.29Å; I335-P337 WeakPolarHBondContact O-CD 3.25Å; I335-P337 VanDerWaalsContact O-N 3.11Å; P337-F339 HydrophobicContact CB-CD2 4.33Å; P337-F339 HydrophobicContact CB-CE1 4.48Å; P337-F339 HydrophobicContact CB-CE2 3.75Å; P337-F339 HydrophobicContact CB-CZ 3.84Å; P337-F339 HydrophobicContact CG-CE2 3.95Å; P337-F339 HydrophobicContact CG-CZ 4.28Å
338	R	96.6	Very high	95.4	Very high	83 Å²	83	74.5 Å²	74.5	31%	0.313	36%	0.358	S	S	.	.			trans	-115.6	87	172.4	-66.6	-173.8	-72.8	-173.9	-1.8	109.7	F121 G124 A127 D340 K341	F121-R338 PolarHBondContact O-NH2 3.08Å; G124-R338 PolarHBondContact O-N 3.34Å; A127-R338 WeakPolarHBondContact CB-O 3.28Å; R338-D340 VanDerWaalsContact C-OD1 3.29Å; R338-D340 WeakPolarHBondContact CB-OD1 3.38Å; R338-D340 PolarHBondContact O-N 3.3Å; R338-K341 HydrophobicContact CB-CG 4.23Å; R338-K341 WeakPolarHBondContact O-CB 3.15Å; R338-K341 PolarHBondContact O-N 2.97Å
339	F	97.2	Very high	95.2	Very high	130 Å²	130	67.3 Å²	67.3	57%	0.57	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-67.9	-22.6	-173.1	-66.7	-74.5	0	0	0	113.8	A127 I130 P337 K341 L342	A127-F339 HydrophobicContact CB-CD1 4.13Å; A127-F339 HydrophobicContact CB-CE1 4.42Å; I130-F339 HydrophobicContact CD1-CE1 4.02Å; P337-F339 HydrophobicContact CB-CD2 4.33Å; P337-F339 HydrophobicContact CB-CE1 4.48Å; P337-F339 HydrophobicContact CB-CE2 3.75Å; P337-F339 HydrophobicContact CB-CZ 3.84Å; P337-F339 HydrophobicContact CG-CE2 3.95Å; P337-F339 HydrophobicContact CG-CZ 4.28Å; F339-K341 PolarHBondContact O-N 3.11Å; F339-L342 HydrophobicContact CD1-CD1 3.86Å; F339-L342 WeakPolarHBondContact O-CB 3.38Å; F339-L342 PolarHBondContact O-N 3.32Å; F339-L342 VanDerWaalsContact O-N 3.07Å
340	D	97	Very high	95	Very high	101 Å²	101	65.4 Å²	65.4	54%	0.54	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-55.3	-34.5	172.9	58.8	-66.2	0	0	0	112	R338 L342 S343	R338-D340 VanDerWaalsContact C-OD1 3.29Å; R338-D340 WeakPolarHBondContact CB-OD1 3.38Å; R338-D340 PolarHBondContact O-N 3.3Å; D340-L342 VanDerWaalsContact C-N 3.28Å; D340-L342 PolarHBondContact O-N 2.78Å; D340-S343 PolarHBondContact O-N 2.68Å; D340-S343 PolarHBondContact O-OG 3.2Å
341	K	94.5	Very high	95	Very high	54 Å²	54	65.4 Å²	65.4	24%	0.235	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-65.8	-25.5	178.2	-68.5	-65	-169.5	170	0	113.6	R338 F339 S343 Q344 V347	R338-K341 HydrophobicContact CB-CG 4.23Å; R338-K341 WeakPolarHBondContact O-CB 3.15Å; R338-K341 PolarHBondContact O-N 2.97Å; F339-K341 PolarHBondContact O-N 3.11Å; K341-S343 PolarHBondContact O-N 2.98Å; K341-S343 VanDerWaalsContact O-N 3.15Å; K341-Q344 WeakPolarHBondContact O-CB 3.44Å; K341-Q344 PolarHBondContact O-N 3.49Å; K341-V347 HydrophobicContact CB-CG2 4.16Å; K341-V347 WeakPolarHBondContact O-CG2 3.25Å
342	L	95.7	Very high	94.8	Very high	39 Å²	39	64.5 Å²	64.5	20%	0.204	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-65.6	-18.3	-180	-64.5	-179.2	0	0	0	113.7	A127 I130 P131 F339 D340 Q344 W348	A127-L342 HydrophobicContact CB-CD1 4.47Å; A127-L342 HydrophobicContact CB-CD2 4.39Å; A127-L342 HydrophobicContact CB-CG 4.29Å; A127-L342 WeakPolarHBondContact O-CD2 3.19Å; I130-L342 HydrophobicContact CD1-CD1 4.07Å; P131-L342 HydrophobicContact CG-CD2 4.12Å; F339-L342 HydrophobicContact CD1-CD1 3.86Å; F339-L342 WeakPolarHBondContact O-CB 3.38Å; F339-L342 PolarHBondContact O-N 3.32Å; F339-L342 VanDerWaalsContact O-N 3.07Å; D340-L342 VanDerWaalsContact C-N 3.28Å; D340-L342 PolarHBondContact O-N 2.78Å; L342-Q344 PolarHBondContact O-N 3.34Å; L342-W348 PolarHBondContact O-NE1 3.01Å
343	S	96.4	Very high	94.6	Very high	106 Å²	106	60.2 Å²	60.2	74%	0.741	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-70.8	-16.4	173.4	66.4	0	0	0	0	113.3	D340 K341	D340-S343 PolarHBondContact O-N 2.68Å; D340-S343 PolarHBondContact O-OG 3.2Å; K341-S343 PolarHBondContact O-N 2.98Å; K341-S343 VanDerWaalsContact O-N 3.15Å
344	Q	93.9	Very high	94.6	Very high	79 Å²	79	57.5 Å²	57.5	37%	0.369	29%	0.29	S	S	.	.			trans	-91.5	121.1	-175.3	-55.7	-176.4	-0.7	0	0	110.4	K341 L342 T346 V347	K341-Q344 WeakPolarHBondContact O-CB 3.44Å; K341-Q344 PolarHBondContact O-N 3.49Å; L342-Q344 PolarHBondContact O-N 3.34Å; Q344-T346 PolarHBondContact O-N 2.7Å; Q344-V347 HydrophobicContact CB-CG2 4.04Å; Q344-V347 WeakPolarHBondContact O-CB 3.42Å; Q344-V347 PolarHBondContact O-N 3.23Å; Q344-V347 VanDerWaalsContact O-N 3.09Å
345	M	91.5	Very high	94.6	Very high	133 Å²	133	57.4 Å²	57.4	66%	0.655	29%	0.29	S	S	*	.	H	α-helix	trans	-60.8	-29.8	178.3	-176	57.5	67.4	0	0	112.8	V347 W348 A349 V575	M345-V347 VanDerWaalsContact C-N 3.25Å; M345-V347 PolarHBondContact O-N 3.3Å; M345-W348 PolarHBondContact O-N 3.09Å; M345-W348 HydrophobicContact SD-CB 4.31Å; M345-A349 PolarHBondContact O-N 2.88Å; M345-V575 HydrophobicContact SD-CG1 4.47Å
346	T	90.9	Very high	94.4	Very high	76 Å²	76	54.1 Å²	54.1	47%	0.466	27%	0.273	S	S	.	.	H	α-helix	trans	-60.3	-34.1	175.9	50.4	0	0	0	0	112.5	Q344 A349 N350	Q344-T346 PolarHBondContact O-N 2.7Å; T346-A349 PolarHBondContact O-N 2.99Å; T346-N350 VanDerWaalsContact O-CB 3.31Å; T346-N350 WeakPolarHBondContact O-CB 3.16Å; T346-N350 PolarHBondContact O-N 3.34Å; T346-N350 PolarHBondContact O-ND2 3.32Å
347	V	93.9	Very high	94.2	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-42.4	176.8	167.5	0	0	0	0	110.9	N123 F128 P131 K341 Q344 M345 A351	N123-V347 HydrophobicContact CB-CB 4.47Å; N123-V347 HydrophobicContact CB-CG1 4.18Å; N123-V347 HydrophobicContact CB-CG2 4.07Å; N123-V347 VanDerWaalsContact O-CG1 3.3Å; N123-V347 WeakPolarHBondContact O-CG1 3.34Å; F128-V347 HydrophobicContact CD2-CG1 4.25Å; P131-V347 HydrophobicContact CG-CG1 4.25Å; K341-V347 HydrophobicContact CB-CG2 4.16Å; K341-V347 WeakPolarHBondContact O-CG2 3.25Å; Q344-V347 HydrophobicContact CB-CG2 4.04Å; Q344-V347 WeakPolarHBondContact O-CB 3.42Å; Q344-V347 PolarHBondContact O-N 3.23Å; Q344-V347 VanDerWaalsContact O-N 3.09Å; M345-V347 VanDerWaalsContact C-N 3.25Å; M345-V347 PolarHBondContact O-N 3.3Å; V347-A351 WeakPolarHBondContact O-CB 3.08Å; V347-A351 PolarHBondContact O-N 3.35Å
348	W	95	Very high	94	Very high	79 Å²	79	47.6 Å²	47.6	30%	0.299	24%	0.239	S	C	.	.	H	α-helix	trans	-67.4	-41.7	175.5	-70.9	82.9	0	0	0	112	P131 I134 L342 M345 A351 A352	P131-W348 HydrophobicContact CB-CD2 3.6Å; P131-W348 HydrophobicContact CB-CE3 3.41Å; P131-W348 VanDerWaalsContact CB-CE3 3.41Å; P131-W348 HydrophobicContact CB-CG 4.17Å; P131-W348 HydrophobicContact CB-CH2 4.13Å; P131-W348 HydrophobicContact CB-CZ2 4.29Å; P131-W348 HydrophobicContact CB-CZ3 3.7Å; I134-W348 HydrophobicContact CB-CZ3 4.4Å; I134-W348 HydrophobicContact CD1-CH2 3.85Å; I134-W348 HydrophobicContact CD1-CZ3 4.12Å; I134-W348 HydrophobicContact CG2-CZ3 4.23Å; L342-W348 PolarHBondContact O-NE1 3.01Å; M345-W348 PolarHBondContact O-N 3.09Å; M345-W348 HydrophobicContact SD-CB 4.31Å; W348-A351 PolarHBondContact O-N 2.9Å; W348-A352 WeakPolarHBondContact O-CB 3.18Å; W348-A352 PolarHBondContact O-N 3.14Å
349	A	92.4	Very high	93.9	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-43.7	176.4	0	0	0	0	0	112	M345 T346 A351 A352 I353 S579	M345-A349 PolarHBondContact O-N 2.88Å; T346-A349 PolarHBondContact O-N 2.99Å; A349-A351 PolarHBondContact O-N 3.02Å; A349-A352 WeakPolarHBondContact O-CB 3.42Å; A349-A352 PolarHBondContact O-N 3.3Å; A349-I353 VanDerWaalsContact O-CG1 3.3Å; A349-I353 WeakPolarHBondContact O-CG1 3.45Å; A349-I353 PolarHBondContact O-N 3.25Å; A349-S579 VanDerWaalsContact CB-OG 3.28Å; A349-S579 WeakPolarHBondContact CB-OG 3.42Å
350	N	93.1	Very high	93.6	Very high	55 Å²	55	37.8 Å²	37.8	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-64.1	-39.3	176.6	-73.1	-20.1	0	0	0	112	V119 N123 F128 T346 A352 I353 Q354	V119-N350 HydrophobicContact CG1-CB 4.29Å; N123-N350 PolarHBondContact OD1-ND2 2.99Å; F128-N350 HydrophobicContact CE2-CB 4.45Å; T346-N350 VanDerWaalsContact O-CB 3.31Å; T346-N350 WeakPolarHBondContact O-CB 3.16Å; T346-N350 PolarHBondContact O-N 3.34Å; T346-N350 PolarHBondContact O-ND2 3.32Å; N350-A352 VanDerWaalsContact C-N 3.34Å; N350-I353 PolarHBondContact O-N 3.02Å; N350-Q354 WeakPolarHBondContact O-CB 3.49Å; N350-Q354 PolarHBondContact O-N 2.89Å
351	A	95.3	Very high	93.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-44.7	173.6	0	0	0	0	0	111.8	F128 P131 V347 W348 A349 Q354 I355	F128-A351 HydrophobicContact CD2-CB 4.17Å; F128-A351 VanDerWaalsContact CE2-CA 3.46Å; F128-A351 HydrophobicContact CE2-CB 3.53Å; F128-A351 VanDerWaalsContact CZ-CA 3.42Å; F128-A351 HydrophobicContact CZ-CB 3.78Å; P131-A351 HydrophobicContact CB-CB 3.84Å; P131-A351 HydrophobicContact CG-CB 4.05Å; V347-A351 WeakPolarHBondContact O-CB 3.08Å; V347-A351 PolarHBondContact O-N 3.35Å; W348-A351 PolarHBondContact O-N 2.9Å; A349-A351 PolarHBondContact O-N 3.02Å; A351-Q354 PolarHBondContact O-N 3.18Å; A351-I355 WeakPolarHBondContact O-CG2 3.38Å; A351-I355 PolarHBondContact O-N 3.15Å; A351-I355 VanDerWaalsContact O-N 3.13Å
352	A	94.2	Very high	93.2	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-63	-49.8	177.4	0	0	0	0	0	111.8	V135 W348 A349 N350 Q354 I355 F356 T572 M576	V135-A352 HydrophobicContact CB-CB 4.43Å; V135-A352 HydrophobicContact CG1-CB 3.75Å; V135-A352 HydrophobicContact CG2-CB 4.1Å; W348-A352 WeakPolarHBondContact O-CB 3.18Å; W348-A352 PolarHBondContact O-N 3.14Å; A349-A352 WeakPolarHBondContact O-CB 3.42Å; A349-A352 PolarHBondContact O-N 3.3Å; N350-A352 VanDerWaalsContact C-N 3.34Å; A352-Q354 VanDerWaalsContact C-N 3.34Å; A352-Q354 PolarHBondContact O-N 2.82Å; A352-I355 WeakPolarHBondContact O-CG2 3.23Å; A352-I355 PolarHBondContact O-N 3.48Å; A352-F356 WeakPolarHBondContact O-CD2 3.27Å; A352-F356 PolarHBondContact O-N 2.83Å; A352-F356 VanDerWaalsContact O-N 3.08Å; A352-T572 HydrophobicContact CB-CG2 3.96Å; A352-M576 HydrophobicContact CB-CE 4.3Å; A352-M576 HydrophobicContact CB-CG 3.47Å; A352-M576 VanDerWaalsContact CB-CG 3.47Å; A352-M576 HydrophobicContact CB-SD 3.62Å; A352-M576 WeakPolarHBondContact O-CE 3.5Å
353	I	92.2	Very high	93.2	Very high	23 Å²	23	29.4 Å²	29.4	12%	0.118	16%	0.157	C	C	.	.	H	α-helix	trans	-54.1	-51.5	176.2	-70	167.9	0	0	0	110	A349 N350 I355 F356 F357 M576	A349-I353 VanDerWaalsContact O-CG1 3.3Å; A349-I353 WeakPolarHBondContact O-CG1 3.45Å; A349-I353 PolarHBondContact O-N 3.25Å; N350-I353 PolarHBondContact O-N 3.02Å; I353-I355 PolarHBondContact O-N 3.13Å; I353-F356 PolarHBondContact O-N 3.38Å; I353-F357 HydrophobicContact CG2-CD2 3.7Å; I353-F357 HydrophobicContact CG2-CE2 3.96Å; I353-F357 VanDerWaalsContact O-CD2 3.28Å; I353-F357 WeakPolarHBondContact O-CD2 3.44Å; I353-F357 PolarHBondContact O-N 2.85Å; I353-M576 HydrophobicContact CG1-CB 4.22Å; I353-M576 HydrophobicContact CG1-CE 4.16Å; I353-M576 HydrophobicContact CG1-CG 4.22Å
354	Q	93.9	Very high	93.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-46.3	-176.8	-177.2	59.5	51.1	0	0	113	F116 V119 Y132 N350 A351 A352 S358	F116-Q354 HydrophobicContact CB-CG 4.38Å; F116-Q354 HydrophobicContact CD2-CG 3.83Å; V119-Q354 HydrophobicContact CG1-CB 4.4Å; Y132-Q354 HydrophobicContact CE2-CG 4.18Å; N350-Q354 WeakPolarHBondContact O-CB 3.49Å; N350-Q354 PolarHBondContact O-N 2.89Å; A351-Q354 PolarHBondContact O-N 3.18Å; A352-Q354 VanDerWaalsContact C-N 3.34Å; A352-Q354 PolarHBondContact O-N 2.82Å; Q354-S358 WeakPolarHBondContact O-CB 3.48Å; Q354-S358 PolarHBondContact O-N 3.14Å
355	I	94.7	Very high	93.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-72.3	-37.1	-177.8	-171.9	66.3	0	0	0	112.5	Y132 V135 M136 A140 A351 A352 I353 S358 T359	Y132-I355 HydrophobicContact CD2-CB 4.04Å; Y132-I355 HydrophobicContact CE1-CD1 4.19Å; Y132-I355 HydrophobicContact CE2-CB 3.74Å; Y132-I355 HydrophobicContact CE2-CD1 3.78Å; Y132-I355 HydrophobicContact CE2-CG1 4.27Å; Y132-I355 WeakPolarHBondContact OH-CD1 3.34Å; V135-I355 HydrophobicContact CB-CG2 4.17Å; V135-I355 HydrophobicContact CG1-CG2 3.73Å; M136-I355 HydrophobicContact CB-CD1 4.17Å; M136-I355 HydrophobicContact CB-CG1 3.87Å; M136-I355 HydrophobicContact CG-CD1 4Å; M136-I355 HydrophobicContact CG-CG1 4.07Å; M136-I355 HydrophobicContact SD-CD1 4.46Å; A140-I355 HydrophobicContact CB-CG1 3.79Å; A140-I355 HydrophobicContact CB-CG2 4.13Å; A351-I355 WeakPolarHBondContact O-CG2 3.38Å; A351-I355 PolarHBondContact O-N 3.15Å; A351-I355 VanDerWaalsContact O-N 3.13Å; A352-I355 WeakPolarHBondContact O-CG2 3.23Å; A352-I355 PolarHBondContact O-N 3.48Å; I353-I355 PolarHBondContact O-N 3.13Å; I355-S358 PolarHBondContact O-N 2.8Å; I355-T359 HydrophobicContact CD1-CG2 4.21Å; I355-T359 HydrophobicContact CG1-CG2 4.33Å; I355-T359 WeakPolarHBondContact O-CG2 3.23Å; I355-T359 PolarHBondContact O-N 3.05Å; I355-T359 PolarHBondContact O-OG1 3.49Å
356	F	92.4	Very high	93.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-67.1	-40.8	177.6	-94.4	-92.6	0	0	0	112.3	V135 A140 M143 A352 I353 T359 G360 T569 T572 L573 M576	V135-F356 HydrophobicContact CG1-CD2 4.35Å; V135-F356 HydrophobicContact CG1-CE2 4.1Å; A140-F356 HydrophobicContact CB-CD2 4.28Å; A140-F356 HydrophobicContact CB-CE2 4.3Å; M143-F356 HydrophobicContact CB-CE1 4.02Å; M143-F356 HydrophobicContact CG-CE1 4.16Å; A352-F356 WeakPolarHBondContact O-CD2 3.27Å; A352-F356 PolarHBondContact O-N 2.83Å; A352-F356 VanDerWaalsContact O-N 3.08Å; I353-F356 PolarHBondContact O-N 3.38Å; F356-T359 PolarHBondContact O-OG1 3.48Å; F356-G360 PolarHBondContact O-N 3.14Å; F356-T569 HydrophobicContact CZ-CG2 4.31Å; F356-T572 HydrophobicContact CE2-CG2 4.01Å; F356-L573 HydrophobicContact CD1-CD2 4.03Å; F356-L573 HydrophobicContact CE1-CD2 3.68Å; F356-L573 HydrophobicContact CE1-CG 4.2Å; F356-L573 HydrophobicContact CZ-CD2 3.98Å; F356-L573 HydrophobicContact CZ-CG 4.15Å; F356-M576 HydrophobicContact CB-CE 3.59Å; F356-M576 HydrophobicContact CD2-CE 3.59Å; F356-M576 HydrophobicContact CD2-SD 3.72Å; F356-M576 HydrophobicContact CE2-CE 4.39Å; F356-M576 HydrophobicContact CE2-SD 3.95Å; F356-M576 HydrophobicContact CG-CE 3.67Å; F356-M576 HydrophobicContact CG-SD 4.29Å
357	F	89.8	Confident	94	Very high	31 Å²	31	10.7 Å²	10.7	14%	0.136	5%	0.051	C	C	.	.	H	α-helix	trans	-65.3	-43.5	173.3	-87.3	-71.5	0	0	0	111.5	I353 G360 G522 L525	I353-F357 HydrophobicContact CG2-CD2 3.7Å; I353-F357 HydrophobicContact CG2-CE2 3.96Å; I353-F357 VanDerWaalsContact O-CD2 3.28Å; I353-F357 WeakPolarHBondContact O-CD2 3.44Å; I353-F357 PolarHBondContact O-N 2.85Å; F357-G360 PolarHBondContact O-N 2.86Å; F357-G360 VanDerWaalsContact O-N 3.14Å; F357-G522 VanDerWaalsContact CZ-CA 3.48Å; F357-G522 WeakPolarHBondContact CZ-O 3.37Å; F357-L525 HydrophobicContact CD1-CD1 4.49Å; F357-L525 HydrophobicContact CE1-CB 4.4Å; F357-L525 HydrophobicContact CE1-CD1 4.01Å; F357-L525 HydrophobicContact CE1-CD2 4.39Å; F357-L525 HydrophobicContact CZ-CB 4.35Å; F357-L525 HydrophobicContact CZ-CD2 4.32Å
358	S	94.1	Very high	94.1	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.007	5%	0.051	C	C	.	.	H	α-helix	trans	-66.5	-38.4	-179.8	176.6	0	0	0	0	112.9	A107 N112 Q354 I355 G360 N390	A107-S358 CarbonylContact C-O 3.6Å; A107-S358 WeakPolarHBondContact CA-O 3.29Å; N112-S358 PolarHBondContact ND2-OG 3.48Å; Q354-S358 WeakPolarHBondContact O-CB 3.48Å; Q354-S358 PolarHBondContact O-N 3.14Å; I355-S358 PolarHBondContact O-N 2.8Å; S358-G360 PolarHBondContact O-N 3.05Å; S358-N390 PolarHBondContact OG-ND2 3.17Å; S358-N390 PolarHBondContact OG-OD1 3.39Å
359	T	93.3	Very high	94.2	Very high	3 Å²	3	7 Å²	7	2%	0.018	4%	0.037	C	C	.	.	H	α-helix	trans	-69.4	-20.5	174.6	56	0	0	0	0	112.7	A140 I355 F356 A361 H366	A140-T359 HydrophobicContact CB-CG2 4.13Å; I355-T359 HydrophobicContact CD1-CG2 4.21Å; I355-T359 HydrophobicContact CG1-CG2 4.33Å; I355-T359 WeakPolarHBondContact O-CG2 3.23Å; I355-T359 PolarHBondContact O-N 3.05Å; I355-T359 PolarHBondContact O-OG1 3.49Å; F356-T359 PolarHBondContact O-OG1 3.48Å; T359-A361 PolarHBondContact O-N 2.85Å; T359-H366 PolarHBondContact O-CE1 3.46Å; T359-H366 PolarHBondContact O-NE2 3.02Å
360	G	91.6	Very high	94.5	Very high	4 Å²	4	6.9 Å²	6.9	4%	0.041	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	17	-175.9	0	0	0	0	0	113.9	F356 F357 S358	F356-G360 PolarHBondContact O-N 3.14Å; F357-G360 PolarHBondContact O-N 2.86Å; F357-G360 VanDerWaalsContact O-N 3.14Å; S358-G360 PolarHBondContact O-N 3.05Å
361	A	91.3	Very high	94.6	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	139.8	175.3	0	0	0	0	0	110.6	M143 T359	M143-A361 HydrophobicContact CB-CB 4.28Å; M143-A361 HydrophobicContact CG-CB 3.84Å; T359-A361 PolarHBondContact O-N 2.85Å
362	G	92.5	Very high	94.6	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.01	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	-14.4	-179.3	0	0	0	0	0	114.9	E147 Q175 G364 S529	E147-G362 WeakPolarHBondContact OE1-CA 3.16Å; E147-G362 PolarHBondContact OE1-N 3.46Å; Q175-G362 WeakPolarHBondContact CG-O 3.28Å; Q175-G362 PolarHBondContact NE2-O 2.62Å; G362-G364 VanDerWaalsContact C-N 3.31Å; G362-S529 WeakPolarHBondContact CA-OG 3.35Å
363	F	95.1	Very high	94.6	Very high	17 Å²	17	4.2 Å²	4.2	8%	0.075	2%	0.021	C	C	.	.	S	Bend	trans	-79.1	-11.9	173.4	-75.2	-75	0	0	0	113.4	Y106 I178 S179 V182 A365 S466 L525	Y106-F363 WeakPolarHBondContact OH-CB 3.32Å; Y106-F363 WeakPolarHBondContact OH-CD2 3.45Å; Y106-F363 WeakPolarHBondContact OH-CG 3.44Å; I178-F363 HydrophobicContact CG2-CD1 3.88Å; I178-F363 HydrophobicContact CG2-CE1 3.62Å; S179-F363 WeakPolarHBondContact OG-CB 3.47Å; S179-F363 WeakPolarHBondContact OG-CD1 3.48Å; S179-F363 PolarHBondContact OG-O 2.97Å; V182-F363 HydrophobicContact CB-CE1 4.21Å; V182-F363 HydrophobicContact CG1-CE1 4.47Å; V182-F363 HydrophobicContact CG2-CE1 3.71Å; V182-F363 HydrophobicContact CG2-CZ 4.24Å; F363-A365 PolarHBondContact O-N 3.26Å; F363-S466 PolarHBondContact O-OG 2.88Å; F363-L525 HydrophobicContact CD1-CD1 4Å; F363-L525 HydrophobicContact CD2-CD1 3.35Å; F363-L525 HydrophobicContact CE1-CD1 3.72Å; F363-L525 HydrophobicContact CE2-CD1 3.03Å; F363-L525 HydrophobicContact CG-CD1 3.84Å; F363-L525 HydrophobicContact CZ-CD1 3.24Å
364	G	95.7	Very high	94.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.029	C	C	.	.	S	Bend	trans	75.5	2.7	-175	0	0	0	0	0	114.6	G362 I367 A368	G362-G364 VanDerWaalsContact C-N 3.31Å; G364-I367 WeakPolarHBondContact O-CB 3.27Å; G364-I367 PolarHBondContact O-N 2.65Å; G364-A368 PolarHBondContact O-N 3.5Å
365	A	97	Very high	94.4	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-61.4	-44.7	174.3	0	0	0	0	0	112	Y106 F363 I367 A368 Y369 G462	Y106-A365 HydrophobicContact CD1-CB 4.02Å; Y106-A365 HydrophobicContact CD2-CB 4.37Å; Y106-A365 HydrophobicContact CE1-CB 3.46Å; Y106-A365 VanDerWaalsContact CE1-CB 3.46Å; Y106-A365 HydrophobicContact CE2-CB 3.9Å; Y106-A365 HydrophobicContact CG-CB 4.43Å; Y106-A365 VanDerWaalsContact CZ-CB 3.42Å; F363-A365 PolarHBondContact O-N 3.26Å; A365-I367 VanDerWaalsContact C-N 3.35Å; A365-I367 PolarHBondContact O-N 3.18Å; A365-A368 WeakPolarHBondContact O-CB 3.37Å; A365-A368 PolarHBondContact O-N 3.32Å; A365-Y369 PolarHBondContact O-N 2.86Å; A365-G462 WeakPolarHBondContact CB-O 3.12Å
366	H	98	Very high	94.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.3	-41.2	175.4	-57.9	134.5	0	0	0	112.6	Y106 F144 E147 L148 T359 A368 A370	Y106-H366 AromaticContact CD1-NE2 3.66Å; Y106-H366 AromaticContact CE1-NE2 3.91Å; F144-H366 HydrophobicContact CD2-CB 4.21Å; F144-H366 AromaticContact CD2-CD2 3.62Å; F144-H366 AromaticContact CD2-CE1 3.53Å; F144-H366 AromaticContact CD2-CG 3.53Å; F144-H366 AromaticContact CD2-ND1 3.49Å; F144-H366 WeakPolarHBondContact CD2-ND1 3.48Å; F144-H366 AromaticContact CD2-NE2 3.61Å; F144-H366 HydrophobicContact CE2-CB 4.31Å; F144-H366 AromaticContact CE2-CD2 3.38Å; F144-H366 WeakPolarHBondContact CE2-CD2 3.38Å; F144-H366 AromaticContact CE2-CG 3.69Å; F144-H366 AromaticContact CE2-NE2 3.6Å; E147-H366 HydrophobicContact CB-CB 3.67Å; E147-H366 WeakPolarHBondContact OE2-CB 3.37Å; E147-H366 IonicContact OE2-CE1 2.68Å; E147-H366 IonicContact OE2-CG 3.8Å; E147-H366 IonicContact OE2-ND1 3.88Å; E147-H366 PolarHBondContact OE2-ND1 3.39Å; L148-H366 HydrophobicContact CD2-CB 4.01Å; T359-H366 PolarHBondContact O-CE1 3.46Å; T359-H366 PolarHBondContact O-NE2 3.02Å; H366-A368 VanDerWaalsContact C-N 3.32Å; H366-A368 PolarHBondContact O-N 3.39Å; H366-A370 WeakPolarHBondContact O-CB 3.42Å; H366-A370 PolarHBondContact O-N 3.13Å
367	I	98.1	Very high	94.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.5	-51	174.5	-62	170.7	0	0	0	108.6	E147 G151 R156 L161 G364 A365 A370 T371	E147-I367 HydrophobicContact CB-CG1 3.83Å; E147-I367 HydrophobicContact CG-CD1 4.24Å; E147-I367 HydrophobicContact CG-CG1 3.92Å; G151-I367 WeakPolarHBondContact CA-O 3.32Å; R156-I367 WeakPolarHBondContact O-CG2 3.38Å; L161-I367 HydrophobicContact CD2-CD1 3.78Å; L161-I367 HydrophobicContact CD2-CG1 4.38Å; L161-I367 HydrophobicContact CD2-CG2 3.96Å; G364-I367 WeakPolarHBondContact O-CB 3.27Å; G364-I367 PolarHBondContact O-N 2.65Å; A365-I367 VanDerWaalsContact C-N 3.35Å; A365-I367 PolarHBondContact O-N 3.18Å; I367-A370 PolarHBondContact O-N 2.95Å; I367-T371 WeakPolarHBondContact O-CG2 3.45Å; I367-T371 PolarHBondContact O-N 3.16Å; I367-T371 VanDerWaalsContact O-N 3.1Å
368	A	96.9	Very high	94.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-59.6	-52.4	-179.2	0	0	0	0	0	112.4	G364 A365 H366 A370 T371 Y372 T469	G364-A368 PolarHBondContact O-N 3.5Å; A365-A368 WeakPolarHBondContact O-CB 3.37Å; A365-A368 PolarHBondContact O-N 3.32Å; H366-A368 VanDerWaalsContact C-N 3.32Å; H366-A368 PolarHBondContact O-N 3.39Å; A368-A370 VanDerWaalsContact C-N 3.3Å; A368-A370 PolarHBondContact O-N 3.27Å; A368-T371 WeakPolarHBondContact O-CB 3.26Å; A368-T371 PolarHBondContact O-N 3.41Å; A368-T371 VanDerWaalsContact O-N 3.07Å; A368-T371 PolarHBondContact O-OG1 3.41Å; A368-Y372 WeakPolarHBondContact O-CD2 3.47Å; A368-Y372 VanDerWaalsContact O-CE2 3.25Å; A368-Y372 WeakPolarHBondContact O-CE2 3.11Å; A368-T469 HydrophobicContact CB-CG2 4.28Å
369	Y	97.2	Very high	94.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-40.2	177.5	-74	-28.1	0	0	0	112.9	W93 S102 V103 A365 T371 Y372 G462 E465	W93-Y369 AromaticContact CH2-CD1 3.94Å; W93-Y369 HydrophobicContact CH2-CD1 3.94Å; W93-Y369 HydrophobicContact CH2-CE1 4.17Å; W93-Y369 AromaticContact CZ2-CD1 3.67Å; W93-Y369 HydrophobicContact CZ2-CD1 3.67Å; W93-Y369 HydrophobicContact CZ2-CE1 4.37Å; W93-Y369 HydrophobicContact CZ2-CG 4.12Å; W93-Y369 PolarHBondContact NE1-O 2.82Å; S102-Y369 WeakPolarHBondContact O-CE2 3.27Å; V103-Y369 HydrophobicContact CG2-CD2 3.92Å; A365-Y369 PolarHBondContact O-N 2.86Å; Y369-T371 VanDerWaalsContact C-N 3.26Å; Y369-T371 PolarHBondContact O-N 3.09Å; Y369-Y372 PolarHBondContact O-N 3.3Å; Y369-G462 WeakPolarHBondContact OH-CA 3.48Å; Y369-G462 PolarHBondContact OH-N 3.39Å; Y369-E465 HydrophobicContact CD1-CG 4.13Å; Y369-E465 HydrophobicContact CE1-CB 4.18Å; Y369-E465 HydrophobicContact CE1-CG 3.92Å
370	A	97.4	Very high	94.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69	-22.7	178.4	0	0	0	0	0	113.1	L148 Q152 H366 I367 A368 Y372 N373	L148-A370 HydrophobicContact CD2-CB 3.92Å; L148-A370 WeakPolarHBondContact O-CB 3.42Å; Q152-A370 VanDerWaalsContact CA-O 3.29Å; Q152-A370 WeakPolarHBondContact CA-O 3.5Å; Q152-A370 HydrophobicContact CB-CB 4.24Å; H366-A370 WeakPolarHBondContact O-CB 3.42Å; H366-A370 PolarHBondContact O-N 3.13Å; I367-A370 PolarHBondContact O-N 2.95Å; A368-A370 VanDerWaalsContact C-N 3.3Å; A368-A370 PolarHBondContact O-N 3.27Å; A370-Y372 PolarHBondContact O-N 3.12Å; A370-N373 WeakPolarHBondContact O-CB 3.33Å; A370-N373 PolarHBondContact O-N 3.23Å; A370-N373 VanDerWaalsContact O-N 3.09Å
371	T	95.6	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-27.5	175.1	72.1	0	0	0	0	113.3	R90 G151 R155 R156 I367 A368 Y369 N373	R90-T371 VanDerWaalsContact CD-O 3.25Å; R90-T371 WeakPolarHBondContact CD-O 3.47Å; G151-T371 WeakPolarHBondContact O-CA 3.37Å; R155-T371 PolarHBondContact NE-O 3.45Å; R155-T371 PolarHBondContact NH2-O 2.99Å; R156-T371 VanDerWaalsContact O-CG2 3.27Å; R156-T371 WeakPolarHBondContact O-CG2 3.17Å; I367-T371 WeakPolarHBondContact O-CG2 3.45Å; I367-T371 PolarHBondContact O-N 3.16Å; I367-T371 VanDerWaalsContact O-N 3.1Å; A368-T371 WeakPolarHBondContact O-CB 3.26Å; A368-T371 PolarHBondContact O-N 3.41Å; A368-T371 VanDerWaalsContact O-N 3.07Å; A368-T371 PolarHBondContact O-OG1 3.41Å; Y369-T371 VanDerWaalsContact C-N 3.26Å; Y369-T371 PolarHBondContact O-N 3.09Å; T371-N373 VanDerWaalsContact C-N 3.34Å
372	Y	95.3	Very high	95.4	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.012	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	1.9	179.7	-52.5	-79.6	0	0	0	112.6	R90 E91 E92 W93 V296 A368 Y369 A370 E465 T469 R486	R90-Y372 HydrophobicContact CG-CD1 3.9Å; R90-Y372 HydrophobicContact CG-CE1 3.98Å; E91-Y372 HydrophobicContact CB-CD1 4.43Å; E91-Y372 VanDerWaalsContact O-CD1 3.32Å; E91-Y372 WeakPolarHBondContact O-CD1 3.4Å; E92-Y372 CarbonylContact C-O 3.6Å; E92-Y372 WeakPolarHBondContact CA-O 3.39Å; W93-Y372 VanDerWaalsContact CD1-C 3.41Å; W93-Y372 PolarHBondContact N-O 2.89Å; V296-Y372 HydrophobicContact CB-CG 4.35Å; V296-Y372 HydrophobicContact CG1-CD1 4.03Å; V296-Y372 HydrophobicContact CG1-CD2 3.36Å; V296-Y372 HydrophobicContact CG1-CE1 4.31Å; V296-Y372 HydrophobicContact CG1-CE2 3.66Å; V296-Y372 HydrophobicContact CG1-CG 3.56Å; V296-Y372 HydrophobicContact CG2-CD1 3.84Å; V296-Y372 HydrophobicContact CG2-CE1 4.44Å; V296-Y372 HydrophobicContact CG2-CG 3.94Å; A368-Y372 WeakPolarHBondContact O-CD2 3.47Å; A368-Y372 VanDerWaalsContact O-CE2 3.25Å; A368-Y372 WeakPolarHBondContact O-CE2 3.11Å; Y369-Y372 PolarHBondContact O-N 3.3Å; A370-Y372 PolarHBondContact O-N 3.12Å; Y372-E465 HydrophobicContact CE2-CG 4.49Å; Y372-E465 VanDerWaalsContact CE2-OE1 3.31Å; Y372-E465 WeakPolarHBondContact CE2-OE1 3.15Å; Y372-E465 VanDerWaalsContact CZ-OE1 3.31Å; Y372-E465 PolarHBondContact OH-OE1 3.32Å; Y372-T469 PolarHBondContact OH-OG1 3.31Å; Y372-R486 PolarHBondContact OH-NH1 2.58Å; Y372-R486 PolarHBondContact OH-NH2 3.28Å
373	N	95.1	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-74.7	143.3	172.1	-74.9	-11.5	0	0	0	110.7	W93 F99 Q152 A370 T371 Y377	W93-N373 PolarHBondContact NE1-OD1 2.9Å; F99-N373 WeakPolarHBondContact CD2-OD1 3.33Å; F99-N373 VanDerWaalsContact CE2-ND2 3.3Å; F99-N373 WeakPolarHBondContact CE2-ND2 3.18Å; F99-N373 VanDerWaalsContact CG-OD1 3.25Å; F99-N373 WeakPolarHBondContact CG-OD1 3.39Å; F99-N373 VanDerWaalsContact CZ-ND2 3.34Å; F99-N373 WeakPolarHBondContact CZ-ND2 3.34Å; Q152-N373 HydrophobicContact CG-CB 3.98Å; Q152-N373 PolarHBondContact OE1-ND2 2.78Å; A370-N373 WeakPolarHBondContact O-CB 3.33Å; A370-N373 PolarHBondContact O-N 3.23Å; A370-N373 VanDerWaalsContact O-N 3.09Å; T371-N373 VanDerWaalsContact C-N 3.34Å; N373-Y377 HydrophobicContact CB-CD1 4.42Å; N373-Y377 HydrophobicContact CB-CG 4.12Å; N373-Y377 WeakPolarHBondContact ND2-CD1 3.46Å
374	P	92.3	Very high	95.8	Very high	43 Å²	43	32.8 Å²	32.8	28%	0.279	14%	0.144	S	C	.	.			trans	-53.9	147.6	161.4	-22.3	31.7	0	0	0	110.4	R376 Y377	P374-R376 PolarHBondContact O-N 3.06Å; P374-Y377 VanDerWaalsContact O-CB 3.28Å; P374-Y377 WeakPolarHBondContact O-CB 3.36Å; P374-Y377 PolarHBondContact O-N 3.46Å; P374-Y377 VanDerWaalsContact O-N 3.1Å
375	K	88.1	Confident	95.9	Very high	151 Å²	151	36.1 Å²	36.1	66%	0.657	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-33.2	-176.8	-69	-179	179	174.6	0	113.9	Q152	Q152-K375 PolarHBondContact NE2-O 2.7Å
376	R	89.2	Confident	95.9	Very high	190 Å²	190	36.1 Å²	36.1	72%	0.717	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107	43.6	-178.5	-63.9	-177.4	177.7	175.8	0.5	112.7	P374	P374-R376 PolarHBondContact O-N 3.06Å
377	Y	94.2	Very high	95.9	Very high	11 Å²	11	36.3 Å²	36.3	4%	0.043	16%	0.163	C	C	.	.			trans	-90.4	140.2	175.9	-171.8	-87.6	0	0	0	111.6	Q96 F99 Q152 N373 P374 C379 D382	Q96-Y377 WeakPolarHBondContact CA-OH 3.5Å; Q96-Y377 HydrophobicContact CB-CE2 3.77Å; Q96-Y377 WeakPolarHBondContact CB-OH 3.33Å; Q96-Y377 HydrophobicContact CG-CE2 3.71Å; Q96-Y377 PolarHBondContact O-OH 3.17Å; F99-Y377 HydrophobicContact CD1-CD1 4.2Å; F99-Y377 AromaticContact CD1-CE1 3.31Å; F99-Y377 HydrophobicContact CD1-CE1 3.31Å; F99-Y377 AromaticContact CD1-CZ 3.61Å; F99-Y377 HydrophobicContact CE1-CD1 4.26Å; F99-Y377 AromaticContact CE1-CE1 3.59Å; F99-Y377 HydrophobicContact CE1-CE1 3.59Å; F99-Y377 HydrophobicContact CG-CE1 4.19Å; Q152-Y377 PolarHBondContact NE2-O 3.27Å; Q152-Y377 PolarHBondContact OE1-O 2.85Å; N373-Y377 HydrophobicContact CB-CD1 4.42Å; N373-Y377 HydrophobicContact CB-CG 4.12Å; N373-Y377 WeakPolarHBondContact ND2-CD1 3.46Å; P374-Y377 VanDerWaalsContact O-CB 3.28Å; P374-Y377 WeakPolarHBondContact O-CB 3.36Å; P374-Y377 PolarHBondContact O-N 3.46Å; P374-Y377 VanDerWaalsContact O-N 3.1Å; Y377-C379 VanDerWaalsContact C-N 3.28Å; Y377-C379 HydrophobicContact CD1-CB 4.23Å; Y377-C379 PolarHBondContact O-N 3.35Å; Y377-D382 WeakPolarHBondContact CE1-OD2 3.47Å; Y377-D382 VanDerWaalsContact CZ-OD2 3.3Å; Y377-D382 PolarHBondContact OH-OD2 3.33Å
378	N	96	Very high	95.9	Very high	67 Å²	67	40.7 Å²	40.7	36%	0.358	19%	0.185	S	C	.	.			trans	-82.7	68.3	-179.1	-169.9	-5.2	0	0	0	112.1	Y380 R381	N378-Y380 PolarHBondContact O-N 3.33Å; N378-R381 PolarHBondContact O-N 3.37Å; N378-R381 PolarHBondContact OD1-N 3.36Å; N378-R381 VanDerWaalsContact OD1-N 3.09Å
379	C	96.7	Very high	95.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-17.5	177.1	68	0	0	0	0	113.2	L148 Q152 Y377 C383 L554	L148-C379 HydrophobicContact CB-CB 4.17Å; L148-C379 HydrophobicContact CD1-CB 4.21Å; Q152-C379 PolarHBondContact OE1-SG 2.89Å; Y377-C379 VanDerWaalsContact C-N 3.28Å; Y377-C379 HydrophobicContact CD1-CB 4.23Å; Y377-C379 PolarHBondContact O-N 3.35Å; C379-C383 VanDerWaalsContact O-CB 3.25Å; C379-C383 WeakPolarHBondContact O-CB 3.11Å; C379-C383 PolarHBondContact O-N 2.83Å; C379-L554 VanDerWaalsContact SG-CD1 3.53Å
380	Y	97.5	Very high	95.9	Very high	60 Å²	60	42.3 Å²	42.3	24%	0.235	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-49.3	174.2	175.1	-94.1	0	0	0	112	Y145 N378 D382 C383 L384 P555 W561	Y145-Y380 HydrophobicContact CD1-CD2 4.46Å; Y145-Y380 AromaticContact CE1-CD2 3.84Å; Y145-Y380 HydrophobicContact CE1-CD2 3.84Å; Y145-Y380 HydrophobicContact CE1-CE2 4.45Å; Y145-Y380 HydrophobicContact CE2-CD2 4.12Å; Y145-Y380 AromaticContact CZ-CD2 3.67Å; N378-Y380 PolarHBondContact O-N 3.33Å; Y380-D382 VanDerWaalsContact C-N 3.34Å; Y380-D382 PolarHBondContact O-N 3.05Å; Y380-C383 WeakPolarHBondContact O-CB 3.34Å; Y380-C383 PolarHBondContact O-N 2.68Å; Y380-L384 HydrophobicContact CD1-CD1 4.22Å; Y380-L384 HydrophobicContact CE1-CD1 3.53Å; Y380-L384 HydrophobicContact CE1-CG 4.44Å; Y380-L384 HydrophobicContact CE2-CD1 4.34Å; Y380-L384 WeakPolarHBondContact O-CG 3.16Å; Y380-L384 PolarHBondContact O-N 3.18Å; Y380-P555 HydrophobicContact CD1-CG 4Å; Y380-P555 HydrophobicContact CE1-CG 4.24Å; Y380-P555 HydrophobicContact CG-CG 4.19Å; Y380-W561 HydrophobicContact CD2-CZ2 4.24Å; Y380-W561 AromaticContact CE2-CE2 3.82Å; Y380-W561 HydrophobicContact CE2-CH2 4.36Å; Y380-W561 AromaticContact CE2-CZ2 3.44Å; Y380-W561 HydrophobicContact CE2-CZ2 3.44Å; Y380-W561 VanDerWaalsContact CE2-CZ2 3.44Å; Y380-W561 AromaticContact CE2-NE1 3.83Å
381	R	97.4	Very high	95.9	Very high	92 Å²	92	42.3 Å²	42.3	35%	0.347	20%	0.195	S	C	.	.	H	α-helix	trans	-56.7	-50.9	176.6	177.9	-163.7	67.9	-163.1	-4.3	110.6	N378 C383 L384 I385	N378-R381 PolarHBondContact O-N 3.37Å; N378-R381 PolarHBondContact OD1-N 3.36Å; N378-R381 VanDerWaalsContact OD1-N 3.09Å; R381-C383 VanDerWaalsContact C-N 3.31Å; R381-C383 PolarHBondContact O-N 3.46Å; R381-L384 PolarHBondContact O-N 3.2Å; R381-I385 HydrophobicContact CG-CD1 3.73Å; R381-I385 HydrophobicContact CG-CG1 4.46Å; R381-I385 WeakPolarHBondContact O-CG1 3.47Å; R381-I385 PolarHBondContact O-N 3.38Å
382	D	97.6	Very high	96	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.011	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-38.1	-175	-66.3	3.2	0	0	0	110.8	F99 F100 Y377 Y380 L384 I385 T386	F99-D382 HydrophobicContact CD1-CB 4.5Å; F99-D382 WeakPolarHBondContact CD1-OD2 2.94Å; F99-D382 HydrophobicContact CE1-CB 3.99Å; F100-D382 HydrophobicContact CD2-CB 3.96Å; Y377-D382 WeakPolarHBondContact CE1-OD2 3.47Å; Y377-D382 VanDerWaalsContact CZ-OD2 3.3Å; Y377-D382 PolarHBondContact OH-OD2 3.33Å; Y380-D382 VanDerWaalsContact C-N 3.34Å; Y380-D382 PolarHBondContact O-N 3.05Å; D382-L384 PolarHBondContact O-N 2.9Å; D382-I385 PolarHBondContact O-N 2.92Å; D382-T386 VanDerWaalsContact O-CB 3.23Å; D382-T386 WeakPolarHBondContact O-CB 3.5Å; D382-T386 PolarHBondContact O-N 3.02Å; D382-T386 PolarHBondContact O-OG1 3.03Å; D382-T386 VanDerWaalsContact O-OG1 3.05Å
383	C	97.9	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.9	-47.3	173.1	-175.5	0	0	0	0	113	F144 Y145 L148 C379 Y380 R381 S387	F144-C383 HydrophobicContact CD1-CB 4.43Å; F144-C383 WeakPolarHBondContact CD1-SG 3.35Å; F144-C383 HydrophobicContact CE1-CB 4.15Å; F144-C383 WeakPolarHBondContact CE1-O 3.32Å; F144-C383 HydrophobicContact CZ-CB 4.45Å; Y145-C383 VanDerWaalsContact CB-SG 3.58Å; Y145-C383 HydrophobicContact CD2-CB 4.31Å; L148-C383 HydrophobicContact CD1-CB 3.85Å; C379-C383 VanDerWaalsContact O-CB 3.25Å; C379-C383 WeakPolarHBondContact O-CB 3.11Å; C379-C383 PolarHBondContact O-N 2.83Å; Y380-C383 WeakPolarHBondContact O-CB 3.34Å; Y380-C383 PolarHBondContact O-N 2.68Å; R381-C383 VanDerWaalsContact C-N 3.31Å; R381-C383 PolarHBondContact O-N 3.46Å; C383-S387 WeakPolarHBondContact O-CB 2.99Å; C383-S387 PolarHBondContact O-N 2.84Å; C383-S387 PolarHBondContact O-OG 2.78Å
384	L	98	Very high	96.2	Very high	65 Å²	65	46.9 Å²	46.9	34%	0.34	22%	0.22	S	C	.	.	H	α-helix	trans	-69.6	-45.8	-177.7	-66.9	-176.8	0	0	0	111.6	T141 Y380 R381 D382 S387 L388 W561	T141-L384 HydrophobicContact CG2-CD2 3.97Å; Y380-L384 HydrophobicContact CD1-CD1 4.22Å; Y380-L384 HydrophobicContact CE1-CD1 3.53Å; Y380-L384 HydrophobicContact CE1-CG 4.44Å; Y380-L384 HydrophobicContact CE2-CD1 4.34Å; Y380-L384 WeakPolarHBondContact O-CG 3.16Å; Y380-L384 PolarHBondContact O-N 3.18Å; R381-L384 PolarHBondContact O-N 3.2Å; D382-L384 PolarHBondContact O-N 2.9Å; L384-S387 PolarHBondContact O-N 3.28Å; L384-L388 WeakPolarHBondContact O-CB 3.43Å; L384-L388 PolarHBondContact O-N 3.02Å; L384-L388 VanDerWaalsContact O-N 3.1Å; L384-W561 HydrophobicContact CD2-CH2 4.04Å; L384-W561 HydrophobicContact CD2-CZ2 4.17Å
385	I	98.2	Very high	96.4	Very high	71 Å²	71	46.7 Å²	46.7	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-63.9	-49	179.2	-63.8	175.4	0	0	0	109.8	F100 R381 D382 S387 L388 V389	F100-I385 HydrophobicContact CE2-CB 4Å; F100-I385 HydrophobicContact CE2-CG2 3.64Å; F100-I385 HydrophobicContact CZ-CB 4.45Å; F100-I385 HydrophobicContact CZ-CG2 3.59Å; R381-I385 HydrophobicContact CG-CD1 3.73Å; R381-I385 HydrophobicContact CG-CG1 4.46Å; R381-I385 WeakPolarHBondContact O-CG1 3.47Å; R381-I385 PolarHBondContact O-N 3.38Å; D382-I385 PolarHBondContact O-N 2.92Å; I385-S387 VanDerWaalsContact C-N 3.34Å; I385-S387 PolarHBondContact O-N 3.23Å; I385-L388 PolarHBondContact O-N 2.88Å; I385-V389 HydrophobicContact CG2-CG2 3.94Å; I385-V389 WeakPolarHBondContact O-CB 3.21Å; I385-V389 VanDerWaalsContact O-CG2 3.27Å; I385-V389 WeakPolarHBondContact O-CG2 3.29Å; I385-V389 PolarHBondContact O-N 2.65Å
386	T	98	Very high	96.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-41.1	-179.9	-64.6	0	0	0	0	112	F100 V103 L104 A107 F144 D382 L388 N390	F100-T386 WeakPolarHBondContact CE2-OG1 3.42Å; V103-T386 HydrophobicContact CG1-CG2 4.23Å; L104-T386 HydrophobicContact CB-CG2 4.44Å; L104-T386 HydrophobicContact CD1-CG2 4.17Å; A107-T386 HydrophobicContact CB-CG2 3.85Å; F144-T386 HydrophobicContact CE1-CG2 4.05Å; F144-T386 HydrophobicContact CZ-CG2 4.3Å; D382-T386 VanDerWaalsContact O-CB 3.23Å; D382-T386 WeakPolarHBondContact O-CB 3.5Å; D382-T386 PolarHBondContact O-N 3.02Å; D382-T386 PolarHBondContact O-OG1 3.03Å; D382-T386 VanDerWaalsContact O-OG1 3.05Å; T386-L388 PolarHBondContact O-N 3.47Å; T386-N390 WeakPolarHBondContact O-CB 3.34Å; T386-N390 PolarHBondContact O-N 3.38Å
387	S	97.5	Very high	97.3	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.028	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-45.9	176.5	-60	0	0	0	0	112	T141 C383 L384 I385 A391	T141-S387 WeakPolarHBondContact OG1-CB 3.28Å; T141-S387 PolarHBondContact OG1-OG 2.72Å; C383-S387 WeakPolarHBondContact O-CB 2.99Å; C383-S387 PolarHBondContact O-N 2.84Å; C383-S387 PolarHBondContact O-OG 2.78Å; L384-S387 PolarHBondContact O-N 3.28Å; I385-S387 VanDerWaalsContact C-N 3.34Å; I385-S387 PolarHBondContact O-N 3.23Å; S387-A391 PolarHBondContact O-N 2.88Å; S387-A391 VanDerWaalsContact O-N 3.17Å
388	L	97.6	Very high	97.4	Very high	91 Å²	91	33 Å²	33	48%	0.476	16%	0.162	S	C	.	.	H	α-helix	trans	-66.8	-47.6	179.4	178	62.1	0	0	0	111.6	L384 I385 T386 N390 A391 L392	L384-L388 WeakPolarHBondContact O-CB 3.43Å; L384-L388 PolarHBondContact O-N 3.02Å; L384-L388 VanDerWaalsContact O-N 3.1Å; I385-L388 PolarHBondContact O-N 2.88Å; T386-L388 PolarHBondContact O-N 3.47Å; L388-N390 VanDerWaalsContact C-N 3.34Å; L388-N390 PolarHBondContact O-N 3.18Å; L388-A391 PolarHBondContact O-N 2.85Å; L388-L392 HydrophobicContact CD1-CD1 4.17Å; L388-L392 HydrophobicContact CD1-CG 4.26Å; L388-L392 HydrophobicContact CG-CD1 4.04Å; L388-L392 HydrophobicContact CG-CG 4.49Å; L388-L392 WeakPolarHBondContact O-CG 3.44Å; L388-L392 PolarHBondContact O-N 2.79Å
389	V	97.9	Very high	97.5	Very high	38 Å²	38	31.3 Å²	31.3	23%	0.23	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-43.6	179.5	176.4	0	0	0	0	110	L104 Y311 I385 A391 L392 T393	L104-V389 HydrophobicContact CD1-CB 3.89Å; L104-V389 HydrophobicContact CD1-CG1 3.62Å; L104-V389 HydrophobicContact CD2-CG1 4.37Å; Y311-V389 HydrophobicContact CE1-CG1 4.37Å; Y311-V389 VanDerWaalsContact OH-CG1 3.27Å; Y311-V389 WeakPolarHBondContact OH-CG1 3.39Å; I385-V389 HydrophobicContact CG2-CG2 3.94Å; I385-V389 WeakPolarHBondContact O-CB 3.21Å; I385-V389 VanDerWaalsContact O-CG2 3.27Å; I385-V389 WeakPolarHBondContact O-CG2 3.29Å; I385-V389 PolarHBondContact O-N 2.65Å; V389-A391 PolarHBondContact O-N 3.3Å; V389-L392 PolarHBondContact O-N 3.35Å; V389-T393 WeakPolarHBondContact O-CB 3.49Å; V389-T393 PolarHBondContact O-N 3.01Å; V389-T393 PolarHBondContact O-OG1 3.24Å
390	N	97.1	Very high	97.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-55.1	-49.4	175.1	179.1	30.1	0	0	0	111.9	A107 N112 S358 T386 L388 L392 T393 S394	A107-N390 HydrophobicContact CB-CB 4.21Å; A107-N390 PolarHBondContact O-OD1 2.93Å; N112-N390 PolarHBondContact ND2-OD1 3.36Å; S358-N390 PolarHBondContact OG-ND2 3.17Å; S358-N390 PolarHBondContact OG-OD1 3.39Å; T386-N390 WeakPolarHBondContact O-CB 3.34Å; T386-N390 PolarHBondContact O-N 3.38Å; L388-N390 VanDerWaalsContact C-N 3.34Å; L388-N390 PolarHBondContact O-N 3.18Å; N390-L392 PolarHBondContact O-N 3.29Å; N390-T393 PolarHBondContact O-N 3.27Å; N390-S394 PolarHBondContact O-N 3.36Å; N390-S394 PolarHBondContact O-OG 3.49Å
391	A	96.9	Very high	97.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-40.1	177.3	0	0	0	0	0	113.5	Y132 F133 M136 S387 L388 V389 S394 I395	Y132-A391 HydrophobicContact CE1-CB 3.78Å; F133-A391 HydrophobicContact CD1-CB 4.47Å; F133-A391 HydrophobicContact CE1-CB 3.69Å; F133-A391 HydrophobicContact CZ-CB 4.25Å; M136-A391 HydrophobicContact SD-CB 3.57Å; M136-A391 VanDerWaalsContact SD-CB 3.57Å; S387-A391 PolarHBondContact O-N 2.88Å; S387-A391 VanDerWaalsContact O-N 3.17Å; L388-A391 PolarHBondContact O-N 2.85Å; V389-A391 PolarHBondContact O-N 3.3Å; A391-S394 WeakPolarHBondContact O-CB 3.2Å; A391-S394 PolarHBondContact O-N 2.88Å; A391-I395 PolarHBondContact O-N 3.11Å
392	L	97.2	Very high	97.4	Very high	91 Å²	91	24.7 Å²	24.7	48%	0.476	13%	0.131	S	C	.	.	H	α-helix	trans	-68.3	-37.5	175.3	-68.1	175.8	0	0	0	111.8	L388 V389 N390 I395 F396	L388-L392 HydrophobicContact CD1-CD1 4.17Å; L388-L392 HydrophobicContact CD1-CG 4.26Å; L388-L392 HydrophobicContact CG-CD1 4.04Å; L388-L392 HydrophobicContact CG-CG 4.49Å; L388-L392 WeakPolarHBondContact O-CG 3.44Å; L388-L392 PolarHBondContact O-N 2.79Å; V389-L392 PolarHBondContact O-N 3.35Å; N390-L392 PolarHBondContact O-N 3.29Å; L392-I395 PolarHBondContact O-N 3.09Å; L392-F396 WeakPolarHBondContact O-CB 3.47Å; L392-F396 PolarHBondContact O-N 3Å
393	T	97.4	Very high	97.4	Very high	8 Å²	8	24.6 Å²	24.6	5%	0.049	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-38.8	176.4	-59.3	0	0	0	0	111.4	V108 Y311 V389 N390 I395 F396 A397	V108-T393 HydrophobicContact CG1-CG2 3.58Å; V108-T393 HydrophobicContact CG2-CG2 4.13Å; Y311-T393 HydrophobicContact CE1-CG2 4.23Å; Y311-T393 VanDerWaalsContact CE1-OG1 3.31Å; Y311-T393 WeakPolarHBondContact CE1-OG1 3.36Å; Y311-T393 PolarHBondContact OH-OG1 3Å; V389-T393 WeakPolarHBondContact O-CB 3.49Å; V389-T393 PolarHBondContact O-N 3.01Å; V389-T393 PolarHBondContact O-OG1 3.24Å; N390-T393 PolarHBondContact O-N 3.27Å; T393-I395 VanDerWaalsContact C-N 3.31Å; T393-I395 PolarHBondContact O-N 2.79Å; T393-F396 PolarHBondContact O-N 3.17Å; T393-A397 VanDerWaalsContact O-CB 3.22Å; T393-A397 WeakPolarHBondContact O-CB 3.49Å; T393-A397 PolarHBondContact O-N 2.96Å
394	S	97.2	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-54.9	-46	169.9	-67	0	0	0	0	112.3	N112 F116 Y132 N390 A391 G398	N112-S394 PolarHBondContact ND2-OG 3.43Å; F116-S394 WeakPolarHBondContact CD1-O 3.29Å; F116-S394 VanDerWaalsContact CE1-C 3.41Å; F116-S394 WeakPolarHBondContact CE1-O 3.43Å; Y132-S394 PolarHBondContact OH-OG 3.18Å; Y132-S394 VanDerWaalsContact OH-OG 3.14Å; N390-S394 PolarHBondContact O-N 3.36Å; N390-S394 PolarHBondContact O-OG 3.49Å; A391-S394 WeakPolarHBondContact O-CB 3.2Å; A391-S394 PolarHBondContact O-N 2.88Å; S394-G398 PolarHBondContact O-N 3.13Å
395	I	97.4	Very high	97.2	Very high	39 Å²	39	22 Å²	22	20%	0.2	12%	0.116	C	C	.	.	H	α-helix	trans	-68.5	-44.7	179	-63.5	168.4	0	0	0	110.5	F116 L129 F133 A391 L392 T393 A397 G398 V399	F116-I395 HydrophobicContact CE1-CG1 4.45Å; F116-I395 HydrophobicContact CZ-CG1 4.25Å; L129-I395 HydrophobicContact CD1-CD1 4.21Å; L129-I395 HydrophobicContact CD2-CD1 4.2Å; L129-I395 HydrophobicContact CD2-CG1 4.09Å; F133-I395 HydrophobicContact CE2-CD1 3.96Å; F133-I395 HydrophobicContact CZ-CD1 3.81Å; A391-I395 PolarHBondContact O-N 3.11Å; L392-I395 PolarHBondContact O-N 3.09Å; T393-I395 VanDerWaalsContact C-N 3.31Å; T393-I395 PolarHBondContact O-N 2.79Å; I395-A397 PolarHBondContact O-N 3.41Å; I395-G398 PolarHBondContact O-N 2.88Å; I395-G398 VanDerWaalsContact O-N 3.16Å; I395-V399 HydrophobicContact CG2-CG2 4.5Å; I395-V399 WeakPolarHBondContact O-CG2 3.16Å; I395-V399 PolarHBondContact O-N 3.41Å
396	F	97.7	Very high	97.2	Very high	62 Å²	62	18.6 Å²	18.6	27%	0.272	10%	0.099	S	C	.	.	H	α-helix	trans	-59.6	-46.5	177.7	179.2	-134.8	0	0	0	111.6	L314 L318 L392 T393 V399 T400	L314-F396 HydrophobicContact CB-CD1 4.07Å; L314-F396 HydrophobicContact CB-CE1 3.38Å; L314-F396 HydrophobicContact CB-CZ 3.83Å; L314-F396 HydrophobicContact CD2-CD1 3.36Å; L314-F396 HydrophobicContact CD2-CE1 3.63Å; L314-F396 HydrophobicContact CD2-CG 3.99Å; L314-F396 HydrophobicContact CD2-CZ 4.43Å; L314-F396 HydrophobicContact CG-CD1 4.36Å; L314-F396 HydrophobicContact CG-CE1 4.14Å; L318-F396 HydrophobicContact CB-CE2 4.43Å; L318-F396 HydrophobicContact CD2-CD2 4.04Å; L318-F396 HydrophobicContact CD2-CE2 3.48Å; L318-F396 VanDerWaalsContact CD2-CE2 3.48Å; L392-F396 WeakPolarHBondContact O-CB 3.47Å; L392-F396 PolarHBondContact O-N 3Å; T393-F396 PolarHBondContact O-N 3.17Å; F396-V399 PolarHBondContact O-N 3.37Å; F396-T400 PolarHBondContact O-N 3.43Å; F396-T400 PolarHBondContact O-OG1 3.07Å
397	A	97.3	Very high	97.1	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-60.2	-44.9	172.4	0	0	0	0	0	111.3	N112 V113 L314 T393 I395 V399 T400 V401	N112-A397 WeakPolarHBondContact O-CB 3.32Å; V113-A397 HydrophobicContact CG2-CB 4.21Å; L314-A397 HydrophobicContact CD2-CB 3.84Å; T393-A397 VanDerWaalsContact O-CB 3.22Å; T393-A397 WeakPolarHBondContact O-CB 3.49Å; T393-A397 PolarHBondContact O-N 2.96Å; I395-A397 PolarHBondContact O-N 3.41Å; A397-V399 PolarHBondContact O-N 3.12Å; A397-T400 PolarHBondContact O-N 3.44Å; A397-V401 WeakPolarHBondContact O-CB 3.26Å; A397-V401 WeakPolarHBondContact O-CG2 3.16Å; A397-V401 PolarHBondContact O-N 3.42Å
398	G	96.7	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.8	-45.2	176.4	0	0	0	0	0	113.8	S394 I395 V401 F402	S394-G398 PolarHBondContact O-N 3.13Å; I395-G398 PolarHBondContact O-N 2.88Å; I395-G398 VanDerWaalsContact O-N 3.16Å; G398-V401 PolarHBondContact O-N 3.38Å; G398-F402 WeakPolarHBondContact O-CB 3.3Å; G398-F402 WeakPolarHBondContact O-CD2 3.2Å; G398-F402 PolarHBondContact O-N 3.32Å
399	V	97.9	Very high	96.6	Very high	32 Å²	32	15.5 Å²	15.5	19%	0.194	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-47	175.3	174.7	0	0	0	0	110.7	L318 I331 F334 I395 F396 A397 F402 A403	L318-V399 HydrophobicContact CD1-CG1 3.83Å; I331-V399 HydrophobicContact CD1-CG1 4.08Å; I331-V399 HydrophobicContact CG1-CG1 4.17Å; I331-V399 HydrophobicContact CG2-CG1 4.25Å; F334-V399 HydrophobicContact CD1-CG2 4.23Å; F334-V399 HydrophobicContact CE1-CG2 3.98Å; I395-V399 HydrophobicContact CG2-CG2 4.5Å; I395-V399 WeakPolarHBondContact O-CG2 3.16Å; I395-V399 PolarHBondContact O-N 3.41Å; F396-V399 PolarHBondContact O-N 3.37Å; A397-V399 PolarHBondContact O-N 3.12Å; V399-F402 PolarHBondContact O-N 2.91Å; V399-A403 PolarHBondContact O-N 3.39Å
400	T	97.5	Very high	96.4	Very high	8 Å²	8	18.1 Å²	18.1	5%	0.049	9%	0.091	C	C	.	.	H	α-helix	trans	-60.2	-49.2	178.2	-57.7	0	0	0	0	111.4	L317 L318 F396 A397 F402 A403 Y404	L317-T400 HydrophobicContact CB-CG2 3.85Å; L318-T400 HydrophobicContact CB-CG2 4.28Å; L318-T400 WeakPolarHBondContact CB-OG1 3.27Å; F396-T400 PolarHBondContact O-N 3.43Å; F396-T400 PolarHBondContact O-OG1 3.07Å; A397-T400 PolarHBondContact O-N 3.44Å; T400-F402 PolarHBondContact O-N 3.42Å; T400-A403 WeakPolarHBondContact O-CB 3.35Å; T400-A403 PolarHBondContact O-N 3.27Å; T400-Y404 WeakPolarHBondContact O-CD2 3.37Å
401	V	95.7	Very high	96	Very high	6 Å²	6	19.7 Å²	19.7	4%	0.036	10%	0.099	C	C	.	.	H	α-helix	trans	-56.6	-52.2	179.2	155.2	0	0	0	0	110.4	V113 P117 A397 G398 A403 Y404 L405 Y431	V113-V401 HydrophobicContact CG1-CG2 4.01Å; V113-V401 VanDerWaalsContact O-CG2 3.31Å; V113-V401 WeakPolarHBondContact O-CG2 3.27Å; P117-V401 HydrophobicContact CB-CB 4.44Å; P117-V401 HydrophobicContact CB-CG1 3.77Å; P117-V401 HydrophobicContact CG-CB 4.25Å; P117-V401 HydrophobicContact CG-CG1 3.95Å; P117-V401 HydrophobicContact CG-CG2 4.33Å; A397-V401 WeakPolarHBondContact O-CB 3.26Å; A397-V401 WeakPolarHBondContact O-CG2 3.16Å; A397-V401 PolarHBondContact O-N 3.42Å; G398-V401 PolarHBondContact O-N 3.38Å; V401-A403 VanDerWaalsContact C-N 3.32Å; V401-A403 PolarHBondContact O-N 3.44Å; V401-Y404 PolarHBondContact O-N 3.14Å; V401-L405 HydrophobicContact CG1-CD1 4.17Å; V401-L405 WeakPolarHBondContact O-CG 3.42Å; V401-L405 PolarHBondContact O-N 2.93Å; V401-Y431 WeakPolarHBondContact CA-OH 3.32Å; V401-Y431 WeakPolarHBondContact CB-OH 3.47Å; V401-Y431 HydrophobicContact CG1-CE2 4.44Å; V401-Y431 WeakPolarHBondContact CG1-OH 3.28Å; V401-Y431 WeakPolarHBondContact CG2-OH 3.43Å; V401-Y431 PolarHBondContact O-OH 3.47Å
402	F	96.7	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-72.6	-20.5	-177.6	-88.6	-91.3	0	0	0	114.2	P117 F121 G330 Y333 F334 G398 V399 T400 Y404 L405 G406 V416 T420	P117-F402 HydrophobicContact CB-CD2 3.93Å; P117-F402 HydrophobicContact CB-CE2 3.58Å; P117-F402 WeakPolarHBondContact O-CE2 3.5Å; F121-F402 HydrophobicContact CB-CZ 3.88Å; F121-F402 HydrophobicContact CD1-CE1 4.49Å; F121-F402 HydrophobicContact CD1-CE2 4.41Å; F121-F402 AromaticContact CD1-CZ 3.59Å; F121-F402 HydrophobicContact CD1-CZ 3.59Å; F121-F402 HydrophobicContact CE1-CZ 4.36Å; F121-F402 AromaticContact CG-CZ 3.87Å; F121-F402 HydrophobicContact CG-CZ 3.87Å; G330-F402 WeakPolarHBondContact CA-O 3.33Å; G330-F402 VanDerWaalsContact O-CD1 3.3Å; G330-F402 WeakPolarHBondContact O-CD1 3.41Å; Y333-F402 AromaticContact CD1-CE1 3.83Å; Y333-F402 HydrophobicContact CD1-CE1 3.83Å; Y333-F402 HydrophobicContact CE1-CE1 4.48Å; F334-F402 HydrophobicContact CB-CB 3.94Å; F334-F402 HydrophobicContact CB-CD1 3.89Å; F334-F402 HydrophobicContact CB-CD2 3.63Å; F334-F402 HydrophobicContact CB-CE1 4.27Å; F334-F402 HydrophobicContact CB-CE2 4Å; F334-F402 HydrophobicContact CB-CG 3.54Å; F334-F402 HydrophobicContact CB-CZ 4.3Å; F334-F402 AromaticContact CD2-CD2 3.75Å; F334-F402 HydrophobicContact CD2-CD2 3.75Å; F334-F402 AromaticContact CD2-CE2 3.66Å; F334-F402 HydrophobicContact CD2-CE2 3.66Å; F334-F402 HydrophobicContact CD2-CZ 4.4Å; F334-F402 AromaticContact CG-CD2 3.78Å; F334-F402 HydrophobicContact CG-CD2 3.78Å; F334-F402 HydrophobicContact CG-CE2 4.11Å; F334-F402 HydrophobicContact CG-CG 4.17Å; G398-F402 WeakPolarHBondContact O-CB 3.3Å; G398-F402 WeakPolarHBondContact O-CD2 3.2Å; G398-F402 PolarHBondContact O-N 3.32Å; V399-F402 PolarHBondContact O-N 2.91Å; T400-F402 PolarHBondContact O-N 3.42Å; F402-Y404 VanDerWaalsContact C-N 3.34Å; F402-L405 HydrophobicContact CD1-CB 4.5Å; F402-L405 HydrophobicContact CD1-CD1 4.24Å; F402-L405 HydrophobicContact CE1-CD1 4.27Å; F402-L405 HydrophobicContact CG-CD1 4.41Å; F402-L405 PolarHBondContact O-N 3.21Å; F402-G406 PolarHBondContact O-N 3.34Å; F402-V416 HydrophobicContact CD1-CG1 3.92Å; F402-V416 HydrophobicContact CE1-CG1 3.9Å; F402-T420 HydrophobicContact CE1-CG2 4Å; F402-T420 HydrophobicContact CZ-CG2 3.69Å
403	A	97.9	Very high	94.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.2	-45.5	170.3	0	0	0	0	0	111.2	S327 I331 V399 T400 V401 Y407	S327-A403 WeakPolarHBondContact CA-O 3.31Å; S327-A403 WeakPolarHBondContact CB-O 3.22Å; I331-A403 HydrophobicContact CD1-CB 4.06Å; I331-A403 HydrophobicContact CG1-CB 4.2Å; V399-A403 PolarHBondContact O-N 3.39Å; T400-A403 WeakPolarHBondContact O-CB 3.35Å; T400-A403 PolarHBondContact O-N 3.27Å; V401-A403 VanDerWaalsContact C-N 3.32Å; V401-A403 PolarHBondContact O-N 3.44Å; A403-Y407 PolarHBondContact O-N 3.38Å
404	Y	97	Very high	94.2	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.027	14%	0.135	C	C	.	.	H	α-helix	trans	-71.7	-36	176.1	-74	-90.9	0	0	0	112.7	L317 N320 L324 T400 V401 F402 Y407 L408 Y431 L438	L317-Y404 HydrophobicContact CB-CE2 4.3Å; L317-Y404 VanDerWaalsContact O-CE2 3.27Å; L317-Y404 WeakPolarHBondContact O-CE2 3.42Å; L317-Y404 PolarHBondContact O-OH 3.26Å; N320-Y404 PolarHBondContact ND2-OH 2.74Å; L324-Y404 HydrophobicContact CD1-CD1 4.05Å; L324-Y404 HydrophobicContact CD1-CE1 3.94Å; T400-Y404 WeakPolarHBondContact O-CD2 3.37Å; V401-Y404 PolarHBondContact O-N 3.14Å; F402-Y404 VanDerWaalsContact C-N 3.34Å; Y404-Y407 PolarHBondContact O-N 3.35Å; Y404-L408 WeakPolarHBondContact O-CB 3.37Å; Y404-L408 PolarHBondContact O-N 3.11Å; Y404-Y431 HydrophobicContact CG-CE1 4.39Å; Y404-L438 HydrophobicContact CE1-CD1 3.8Å
405	L	94.9	Very high	93.8	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-66.5	-39.8	175.1	-62.9	-179	0	0	0	111.7	V401 F402 L408 A409 V419 T420 L426 V430	V401-L405 HydrophobicContact CG1-CD1 4.17Å; V401-L405 WeakPolarHBondContact O-CG 3.42Å; V401-L405 PolarHBondContact O-N 2.93Å; F402-L405 HydrophobicContact CD1-CB 4.5Å; F402-L405 HydrophobicContact CD1-CD1 4.24Å; F402-L405 HydrophobicContact CE1-CD1 4.27Å; F402-L405 HydrophobicContact CG-CD1 4.41Å; F402-L405 PolarHBondContact O-N 3.21Å; L405-L408 PolarHBondContact O-N 3.42Å; L405-A409 WeakPolarHBondContact O-CB 3.14Å; L405-A409 PolarHBondContact O-N 2.84Å; L405-V419 HydrophobicContact CB-CG2 4.03Å; L405-V419 HydrophobicContact CD2-CG2 4.31Å; L405-V419 WeakPolarHBondContact O-CG2 3.3Å; L405-T420 HydrophobicContact CD1-CG2 3.92Å; L405-L426 HydrophobicContact CD1-CD1 4.42Å; L405-L426 HydrophobicContact CD2-CD1 4.09Å; L405-V430 HydrophobicContact CD2-CG1 3.8Å
406	G	96.8	Very high	93.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-43.5	173.2	0	0	0	0	0	112.4	G326 F402 A409 H410	G326-G406 CarbonylContact O-C 3.31Å; G326-G406 VanDerWaalsContact O-C 3.31Å; G326-G406 WeakPolarHBondContact O-CA 3.41Å; F402-G406 PolarHBondContact O-N 3.34Å; G406-A409 PolarHBondContact O-N 2.87Å; G406-H410 WeakPolarHBondContact O-CB 3.22Å; G406-H410 PolarHBondContact O-N 2.85Å
407	Y	96.6	Very high	92.8	Very high	26 Å²	26	32.1 Å²	32.1	10%	0.102	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-47	172.5	165.5	-112	0	0	0	112.2	L324 N325 A403 Y404 A409 H410 L411 T437 L438	L324-Y407 HydrophobicContact CB-CD2 3.72Å; L324-Y407 HydrophobicContact CB-CE2 4.45Å; L324-Y407 HydrophobicContact CB-CG 3.82Å; L324-Y407 HydrophobicContact CD1-CD1 3.77Å; L324-Y407 HydrophobicContact CD1-CD2 4.28Å; L324-Y407 HydrophobicContact CD1-CE1 4.3Å; L324-Y407 HydrophobicContact CD1-CG 3.74Å; L324-Y407 HydrophobicContact CD2-CD2 4.48Å; L324-Y407 HydrophobicContact CD2-CE2 4.44Å; L324-Y407 HydrophobicContact CG-CD2 4.36Å; L324-Y407 HydrophobicContact CG-CG 4.28Å; N325-Y407 WeakPolarHBondContact O-CA 3.33Å; A403-Y407 PolarHBondContact O-N 3.38Å; Y404-Y407 PolarHBondContact O-N 3.35Å; Y407-A409 PolarHBondContact O-N 3.16Å; Y407-H410 WeakPolarHBondContact O-CB 3.21Å; Y407-H410 PolarHBondContact O-N 3.5Å; Y407-L411 HydrophobicContact CE1-CD2 4.45Å; Y407-L411 WeakPolarHBondContact O-CB 3.24Å; Y407-L411 PolarHBondContact O-N 3.41Å; Y407-T437 VanDerWaalsContact CE1-OG1 3.31Å; Y407-T437 WeakPolarHBondContact CE1-OG1 3.43Å; Y407-T437 PolarHBondContact OH-OG1 2.96Å; Y407-L438 HydrophobicContact CE1-CD2 4.02Å
408	L	93	Very high	92	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-40.1	179.8	-176.3	62.6	0	0	0	112	Y404 L405 H410 L411 T412 V419 V430 L433 A434	Y404-L408 WeakPolarHBondContact O-CB 3.37Å; Y404-L408 PolarHBondContact O-N 3.11Å; L405-L408 PolarHBondContact O-N 3.42Å; L408-H410 VanDerWaalsContact C-N 3.35Å; L408-L411 PolarHBondContact O-N 3.31Å; L408-T412 HydrophobicContact CD1-CG2 3.97Å; L408-T412 HydrophobicContact CG-CG2 4.31Å; L408-T412 WeakPolarHBondContact O-CB 3.41Å; L408-T412 VanDerWaalsContact O-CG2 3.31Å; L408-T412 WeakPolarHBondContact O-CG2 3.41Å; L408-T412 PolarHBondContact O-N 3.2Å; L408-T412 PolarHBondContact O-OG1 2.89Å; L408-V419 HydrophobicContact CD2-CB 4.27Å; L408-V419 HydrophobicContact CG-CG1 4.48Å; L408-V430 HydrophobicContact CD2-CG1 3.55Å; L408-L433 HydrophobicContact CD1-CD2 3.78Å; L408-L433 HydrophobicContact CD1-CG 3.94Å; L408-L433 HydrophobicContact CD2-CD2 4.07Å; L408-A434 HydrophobicContact CB-CB 4.25Å; L408-A434 HydrophobicContact CD1-CB 4.46Å; L408-A434 HydrophobicContact CD2-CB 4.38Å
409	A	91.6	Very high	91.4	Very high	5 Å²	5	35.1 Å²	35.1	4%	0.041	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-44.2	174.2	0	0	0	0	0	111.4	L405 G406 Y407 T412 H413 T414 V416 V419	L405-A409 WeakPolarHBondContact O-CB 3.14Å; L405-A409 PolarHBondContact O-N 2.84Å; G406-A409 PolarHBondContact O-N 2.87Å; Y407-A409 PolarHBondContact O-N 3.16Å; A409-T412 PolarHBondContact O-N 2.89Å; A409-T412 PolarHBondContact O-OG1 2.78Å; A409-H413 PolarHBondContact O-N 2.76Å; A409-H413 VanDerWaalsContact O-N 3.11Å; A409-T414 PolarHBondContact O-N 3.31Å; A409-V416 HydrophobicContact CB-CG2 4.07Å; A409-V419 HydrophobicContact CB-CG1 4.26Å; A409-V419 HydrophobicContact CB-CG2 4.03Å
410	H	93.1	Very high	90.6	Very high	92 Å²	92	34 Å²	34	43%	0.426	18%	0.178	S	C	.	.	H	α-helix	trans	-62.4	-43.6	174.8	177.5	-77.8	0	0	0	112.1	G406 Y407 L408 H413	G406-H410 WeakPolarHBondContact O-CB 3.22Å; G406-H410 PolarHBondContact O-N 2.85Å; Y407-H410 WeakPolarHBondContact O-CB 3.21Å; Y407-H410 PolarHBondContact O-N 3.5Å; L408-H410 VanDerWaalsContact C-N 3.35Å; H410-H413 PolarHBondContact O-N 2.84Å
411	L	89	Confident	89.8	Confident	34 Å²	34	34 Å²	34	18%	0.178	18%	0.179	C	C	.	.	H	α-helix	trans	-67.3	-37.5	-179.1	-168.5	72.3	0	0	0	112.5	F223 Y407 L408 H413 T437	F223-L411 HydrophobicContact CD1-CD2 4.15Å; F223-L411 HydrophobicContact CE1-CD1 4.23Å; F223-L411 HydrophobicContact CE1-CD2 3.46Å; F223-L411 VanDerWaalsContact CE1-CD2 3.46Å; F223-L411 HydrophobicContact CE1-CG 3.56Å; F223-L411 HydrophobicContact CE2-CD2 4.39Å; F223-L411 HydrophobicContact CZ-CB 4.37Å; F223-L411 HydrophobicContact CZ-CD2 3.62Å; F223-L411 HydrophobicContact CZ-CG 3.5Å; F223-L411 VanDerWaalsContact CZ-CG 3.5Å; Y407-L411 HydrophobicContact CE1-CD2 4.45Å; Y407-L411 WeakPolarHBondContact O-CB 3.24Å; Y407-L411 PolarHBondContact O-N 3.41Å; L408-L411 PolarHBondContact O-N 3.31Å; L411-H413 VanDerWaalsContact C-N 3.32Å; L411-T437 HydrophobicContact CD2-CG2 3.73Å
412	T	85.1	Confident	89	Confident	34 Å²	34	38 Å²	38	21%	0.209	20%	0.198	C	C	.	.	H	α-helix	trans	-84.9	-3.3	179.8	54.4	0	0	0	0	113.3	F223 L408 A409 T414	F223-T412 HydrophobicContact CE2-CG2 3.67Å; F223-T412 HydrophobicContact CZ-CG2 4.29Å; L408-T412 HydrophobicContact CD1-CG2 3.97Å; L408-T412 HydrophobicContact CG-CG2 4.31Å; L408-T412 WeakPolarHBondContact O-CB 3.41Å; L408-T412 VanDerWaalsContact O-CG2 3.31Å; L408-T412 WeakPolarHBondContact O-CG2 3.41Å; L408-T412 PolarHBondContact O-N 3.2Å; L408-T412 PolarHBondContact O-OG1 2.89Å; A409-T412 PolarHBondContact O-N 2.89Å; A409-T412 PolarHBondContact O-OG1 2.78Å; T412-T414 WeakPolarHBondContact O-CG2 3.26Å; T412-T414 PolarHBondContact O-N 3.04Å; T412-T414 PolarHBondContact OG1-OG1 3.34Å
413	H	84.9	Confident	88.5	Confident	148 Å²	148	38.7 Å²	38.7	69%	0.685	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	37	-170.3	-58.6	-74.5	0	0	0	113.1	A409 H410 L411	A409-H413 PolarHBondContact O-N 2.76Å; A409-H413 VanDerWaalsContact O-N 3.11Å; H410-H413 PolarHBondContact O-N 2.84Å; L411-H413 VanDerWaalsContact C-N 3.32Å
414	T	84.3	Confident	88	Confident	62 Å²	62	39.4 Å²	39.4	38%	0.38	21%	0.21	S	C	.	.	S	Bend	trans	-118.1	-176.9	178.3	69	0	0	0	0	111.4	A409 T412 T418 V419	A409-T414 PolarHBondContact O-N 3.31Å; T412-T414 WeakPolarHBondContact O-CG2 3.26Å; T412-T414 PolarHBondContact O-N 3.04Å; T412-T414 PolarHBondContact OG1-OG1 3.34Å; T414-T418 VanDerWaalsContact CB-OG1 3.23Å; T414-T418 WeakPolarHBondContact CB-OG1 3.23Å; T414-T418 PolarHBondContact OG1-OG1 2.91Å; T414-V419 WeakPolarHBondContact OG1-CG1 3.13Å
415	T	89	Confident	87.5	Confident	79 Å²	79	40.1 Å²	40.1	49%	0.485	22%	0.219	S	C	.	.			trans	-90.8	156.5	177.1	67.6	0	0	0	0	110.5	E417 T418	T415-E417 PolarHBondContact O-N 3Å; T415-T418 PolarHBondContact N-OG1 3.38Å; T415-T418 PolarHBondContact O-N 2.92Å; T415-T418 VanDerWaalsContact O-N 3.13Å; T415-T418 PolarHBondContact O-OG1 2.96Å; T415-T418 PolarHBondContact OG1-N 3.39Å; T415-T418 PolarHBondContact OG1-OG1 3.2Å
416	V	88.3	Confident	87.3	Confident	12 Å²	12	40.2 Å²	40.2	7%	0.073	22%	0.22	C	C	.	.	H	α-helix	trans	-56.5	-38.8	173.9	-178	0	0	0	0	110.5	Y333 F402 A409 T418 V419 T420	Y333-V416 HydrophobicContact CD1-CB 3.95Å; Y333-V416 HydrophobicContact CD1-CG1 3.51Å; Y333-V416 HydrophobicContact CD2-CB 4.18Å; Y333-V416 HydrophobicContact CE1-CB 4.4Å; Y333-V416 HydrophobicContact CE1-CG1 4.13Å; Y333-V416 HydrophobicContact CG-CB 3.82Å; Y333-V416 HydrophobicContact CG-CG1 3.79Å; Y333-V416 HydrophobicContact CG-CG2 4.42Å; F402-V416 HydrophobicContact CD1-CG1 3.92Å; F402-V416 HydrophobicContact CE1-CG1 3.9Å; A409-V416 HydrophobicContact CB-CG2 4.07Å; V416-T418 VanDerWaalsContact C-N 3.33Å; V416-T418 PolarHBondContact O-N 3.23Å; V416-V419 CarbonylContact O-C 3.58Å; V416-V419 VanDerWaalsContact O-CG2 3.32Å; V416-V419 WeakPolarHBondContact O-CG2 3.46Å; V416-V419 PolarHBondContact O-N 3.45Å; V416-V419 VanDerWaalsContact O-N 3.07Å; V416-T420 PolarHBondContact O-N 3.35Å; V416-T420 PolarHBondContact O-OG1 3.28Å
417	E	86.5	Confident	87.2	Confident	126 Å²	126	40.2 Å²	40.2	59%	0.589	22%	0.22	S	C	*	.	H	α-helix	trans	-55.7	-44.3	176.9	-168	167.9	171.7	0	0	113.1	Y333 T415 V419 T420	Y333-E417 VanDerWaalsContact OH-CB 3.3Å; Y333-E417 WeakPolarHBondContact OH-CB 3.31Å; Y333-E417 WeakPolarHBondContact OH-CG 3.31Å; Y333-E417 PolarHBondContact OH-OE2 3.14Å; T415-E417 PolarHBondContact O-N 3Å; E417-V419 PolarHBondContact O-N 3.46Å; E417-T420 PolarHBondContact O-N 2.92Å
418	T	79.9	Confident	87.1	Confident	64 Å²	64	39 Å²	39	39%	0.393	22%	0.215	S	C	.	.	H	α-helix	trans	-69.2	-17.1	-179.1	49.4	0	0	0	0	113.8	T414 T415 V416 H611	T414-T418 VanDerWaalsContact CB-OG1 3.23Å; T414-T418 WeakPolarHBondContact CB-OG1 3.23Å; T414-T418 PolarHBondContact OG1-OG1 2.91Å; T415-T418 PolarHBondContact N-OG1 3.38Å; T415-T418 PolarHBondContact O-N 2.92Å; T415-T418 VanDerWaalsContact O-N 3.13Å; T415-T418 PolarHBondContact O-OG1 2.96Å; T415-T418 PolarHBondContact OG1-N 3.39Å; T415-T418 PolarHBondContact OG1-OG1 3.2Å; V416-T418 VanDerWaalsContact C-N 3.33Å; V416-T418 PolarHBondContact O-N 3.23Å; T418-H611 PolarHBondContact O-CD2 3.4Å; T418-H611 PolarHBondContact O-NE2 2.79Å
419	V	83.4	Confident	87	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-108.1	-5	179.3	-42.8	0	0	0	0	113	L405 L408 A409 T414 V416 E417 L610 H611	L405-V419 HydrophobicContact CB-CG2 4.03Å; L405-V419 HydrophobicContact CD2-CG2 4.31Å; L405-V419 WeakPolarHBondContact O-CG2 3.3Å; L408-V419 HydrophobicContact CD2-CB 4.27Å; L408-V419 HydrophobicContact CG-CG1 4.48Å; A409-V419 HydrophobicContact CB-CG1 4.26Å; A409-V419 HydrophobicContact CB-CG2 4.03Å; T414-V419 WeakPolarHBondContact OG1-CG1 3.13Å; V416-V419 CarbonylContact O-C 3.58Å; V416-V419 VanDerWaalsContact O-CG2 3.32Å; V416-V419 WeakPolarHBondContact O-CG2 3.46Å; V416-V419 PolarHBondContact O-N 3.45Å; V416-V419 VanDerWaalsContact O-N 3.07Å; E417-V419 PolarHBondContact O-N 3.46Å; V419-L610 HydrophobicContact CB-CD1 3.99Å; V419-L610 HydrophobicContact CG1-CD1 3.43Å; V419-L610 VanDerWaalsContact CG1-CD1 3.43Å; V419-H611 WeakPolarHBondContact CA-NE2 3.37Å; V419-H611 PolarHBondContact O-CE1 3.42Å; V419-H611 PolarHBondContact O-NE2 3.16Å
420	T	82.1	Confident	87	Confident	8 Å²	8	39.1 Å²	39.1	5%	0.049	21%	0.214	C	C	.	.			trans	-95.8	127.5	177.3	-54.5	0	0	0	0	113.4	Y118 F121 F402 L405 V416 E417 H611	Y118-T420 HydrophobicContact CD2-CG2 4.24Å; F121-T420 HydrophobicContact CD1-CG2 3.75Å; F121-T420 HydrophobicContact CE1-CG2 3.14Å; F121-T420 HydrophobicContact CZ-CG2 3.62Å; F402-T420 HydrophobicContact CE1-CG2 4Å; F402-T420 HydrophobicContact CZ-CG2 3.69Å; L405-T420 HydrophobicContact CD1-CG2 3.92Å; V416-T420 PolarHBondContact O-N 3.35Å; V416-T420 PolarHBondContact O-OG1 3.28Å; E417-T420 PolarHBondContact O-N 2.92Å; T420-H611 PolarHBondContact N-NE2 3.42Å; T420-H611 PolarHBondContact O-CE1 2.83Å; T420-H611 VanDerWaalsContact O-CE1 3.31Å; T420-H611 PolarHBondContact O-NE2 3.22Å
421	G	79.4	Confident	87	Confident	7 Å²	7	35 Å²	35	7%	0.072	20%	0.195	C	C	.	.			trans	-146.4	-174.6	178.4	0	0	0	0	0	110.5	Y118 L426 H611	Y118-G421 WeakPolarHBondContact CD2-O 3.42Å; G421-L426 WeakPolarHBondContact O-CD2 3.5Å; G421-H611 VanDerWaalsContact CA-CE1 3.47Å; G421-H611 WeakPolarHBondContact CA-CE1 3.4Å; G421-H611 PolarHBondContact N-CE1 3.06Å
422	E	79.2	Confident	87.3	Confident	91 Å²	91	33.4 Å²	33.4	43%	0.425	19%	0.187	S	C	.	.			trans	-128.2	166.4	174.5	61	178.9	176.8	0	0	112.7	Y118	Y118-E422 HydrophobicContact CD1-CB 3.73Å; Y118-E422 HydrophobicContact CD1-CG 3.7Å; Y118-E422 WeakPolarHBondContact CD1-OE2 3.46Å; Y118-E422 HydrophobicContact CD2-CB 4.02Å; Y118-E422 HydrophobicContact CD2-CG 4.38Å; Y118-E422 HydrophobicContact CE1-CB 4.35Å; Y118-E422 VanDerWaalsContact CE1-CD 3.48Å; Y118-E422 HydrophobicContact CE1-CG 3.86Å; Y118-E422 HydrophobicContact CG-CB 3.56Å; Y118-E422 HydrophobicContact CG-CG 4Å
423	G	85.7	Confident	87.7	Confident	15 Å²	15	32.3 Å²	32.3	16%	0.155	18%	0.18	C	C	.	.	H	α-helix	trans	75.9	-157.4	172.1	0	0	0	0	0	114.6	G425 L426 V427	G423-G425 VanDerWaalsContact C-N 3.32Å; G423-G425 PolarHBondContact O-N 3.41Å; G423-L426 WeakPolarHBondContact O-CB 3.43Å; G423-L426 PolarHBondContact O-N 3.12Å; G423-V427 PolarHBondContact O-N 3.35Å
424	P	89.1	Confident	88.2	Confident	15 Å²	15	25.3 Å²	25.3	10%	0.097	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-33.2	-173.7	-28.6	38	0	0	0	114.6	W114 W192 F254 L426 V427 F428 M510 F513	W114-P424 HydrophobicContact CH2-CG 4.01Å; W114-P424 HydrophobicContact CZ3-CB 4.33Å; W114-P424 HydrophobicContact CZ3-CG 3.7Å; W192-P424 HydrophobicContact CZ3-CB 4.08Å; W192-P424 HydrophobicContact CZ3-CG 4.01Å; F254-P424 HydrophobicContact CE1-CB 4.37Å; F254-P424 HydrophobicContact CZ-CB 4.37Å; P424-L426 PolarHBondContact O-N 2.99Å; P424-V427 PolarHBondContact O-N 3.46Å; P424-F428 HydrophobicContact CB-CD2 4.03Å; P424-F428 HydrophobicContact CB-CE2 4.42Å; P424-F428 WeakPolarHBondContact O-CB 3.41Å; P424-F428 VanDerWaalsContact O-CD2 3.31Å; P424-F428 WeakPolarHBondContact O-CD2 3.23Å; P424-F428 PolarHBondContact O-N 3.16Å; P424-M510 HydrophobicContact CB-CE 3.96Å; P424-M510 HydrophobicContact CG-CE 3.86Å; P424-F513 HydrophobicContact CG-CE1 3.89Å; P424-F513 HydrophobicContact CG-CZ 4.41Å
425	G	86.8	Confident	88.7	Confident	22 Å²	22	22.5 Å²	22.5	23%	0.227	13%	0.13	C	C	.	.	H	α-helix	trans	-61.1	-44.1	177.5	0	0	0	0	0	112.2	G423 V427 Q429 V430	G423-G425 VanDerWaalsContact C-N 3.32Å; G423-G425 PolarHBondContact O-N 3.41Å; G425-V427 PolarHBondContact O-N 2.95Å; G425-Q429 WeakPolarHBondContact O-CA 3.31Å; G425-Q429 WeakPolarHBondContact O-CB 3.41Å; G425-Q429 PolarHBondContact O-N 3.37Å; G425-V430 PolarHBondContact O-N 2.97Å
426	L	89.4	Confident	89	Confident	4 Å²	4	19.6 Å²	19.6	2%	0.021	12%	0.116	C	C	.	.	I	π-helix	trans	-57.2	-52.2	174.4	178.9	71.8	0	0	0	110.8	W114 L405 G421 G423 P424 V430 Y431	W114-L426 HydrophobicContact CB-CD2 4.28Å; L405-L426 HydrophobicContact CD1-CD1 4.42Å; L405-L426 HydrophobicContact CD2-CD1 4.09Å; G421-L426 WeakPolarHBondContact O-CD2 3.5Å; G423-L426 WeakPolarHBondContact O-CB 3.43Å; G423-L426 PolarHBondContact O-N 3.12Å; P424-L426 PolarHBondContact O-N 2.99Å; L426-V430 HydrophobicContact CD1-CB 4.3Å; L426-V430 HydrophobicContact CD1-CG1 4.39Å; L426-V430 PolarHBondContact O-N 2.71Å; L426-Y431 HydrophobicContact CD1-CD2 4.22Å; L426-Y431 HydrophobicContact CD1-CE2 3.79Å; L426-Y431 HydrophobicContact CD2-CE2 3.9Å; L426-Y431 HydrophobicContact CG-CD2 3.88Å; L426-Y431 HydrophobicContact CG-CE2 3.59Å; L426-Y431 VanDerWaalsContact O-CD2 3.29Å; L426-Y431 WeakPolarHBondContact O-CD2 3.45Å; L426-Y431 PolarHBondContact O-N 2.97Å
427	V	94	Very high	89.3	Confident	1 Å²	1	21 Å²	21	1%	0.006	13%	0.125	C	C	.	.	I	π-helix	trans	-74.1	-35.9	-171.3	170.1	0	0	0	0	113.8	W114 G423 P424 G425 P432 F448 L452	W114-V427 HydrophobicContact CB-CG2 3.55Å; W114-V427 HydrophobicContact CD2-CG2 4.3Å; W114-V427 HydrophobicContact CE3-CB 4.25Å; W114-V427 HydrophobicContact CE3-CG2 3.67Å; W114-V427 HydrophobicContact CG-CG2 4.31Å; G423-V427 PolarHBondContact O-N 3.35Å; P424-V427 PolarHBondContact O-N 3.46Å; G425-V427 PolarHBondContact O-N 2.95Å; V427-P432 VanDerWaalsContact O-CD 3.22Å; V427-P432 WeakPolarHBondContact O-CD 3.49Å; V427-P432 WeakPolarHBondContact O-CG 3.43Å; V427-F448 HydrophobicContact CG1-CE1 4.16Å; V427-F448 HydrophobicContact CG1-CZ 4.15Å; V427-L452 HydrophobicContact CG1-CD1 3.33Å; V427-L452 HydrophobicContact CG1-CD2 4.31Å; V427-L452 HydrophobicContact CG1-CG 4.47Å
428	F	95.1	Very high	89.7	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-108.6	-3.5	-172.6	-61.2	-71.4	0	0	0	114.4	I189 W192 S193 F196 F254 P424 F449	I189-F428 HydrophobicContact CG2-CE2 4.03Å; I189-F428 HydrophobicContact CG2-CZ 4.05Å; W192-F428 HydrophobicContact CB-CD1 4.46Å; W192-F428 HydrophobicContact CB-CE1 3.77Å; W192-F428 HydrophobicContact CB-CE2 4.08Å; W192-F428 HydrophobicContact CB-CZ 3.55Å; W192-F428 HydrophobicContact CE3-CD2 4.28Å; W192-F428 AromaticContact CE3-CE2 3.76Å; W192-F428 HydrophobicContact CE3-CE2 3.76Å; W192-F428 HydrophobicContact CE3-CZ 4.33Å; S193-F428 WeakPolarHBondContact OG-CZ 3.19Å; F196-F428 AromaticContact CD2-CD1 3.61Å; F196-F428 HydrophobicContact CD2-CD1 3.61Å; F196-F428 HydrophobicContact CD2-CE1 4.03Å; F196-F428 HydrophobicContact CE2-CB 4.21Å; F196-F428 AromaticContact CE2-CD1 3.59Å; F196-F428 HydrophobicContact CE2-CD1 3.59Å; F196-F428 HydrophobicContact CE2-CE1 4.38Å; F196-F428 HydrophobicContact CE2-CG 4.23Å; F196-F428 HydrophobicContact CG-CD1 4.15Å; F196-F428 HydrophobicContact CZ-CB 4.11Å; F196-F428 HydrophobicContact CZ-CD1 4.11Å; F254-F428 HydrophobicContact CB-CB 4.39Å; F254-F428 HydrophobicContact CD1-CB 4.08Å; F254-F428 HydrophobicContact CD2-CB 3.52Å; F254-F428 HydrophobicContact CD2-CG 4.08Å; F254-F428 HydrophobicContact CE1-CB 4.21Å; F254-F428 HydrophobicContact CE2-CB 3.66Å; F254-F428 HydrophobicContact CE2-CD1 4.43Å; F254-F428 AromaticContact CE2-CD2 3.95Å; F254-F428 HydrophobicContact CE2-CD2 3.95Å; F254-F428 AromaticContact CE2-CG 3.76Å; F254-F428 HydrophobicContact CE2-CG 3.76Å; F254-F428 HydrophobicContact CG-CB 3.74Å; F254-F428 HydrophobicContact CZ-CB 4.01Å; F254-F428 AromaticContact CZ-CD2 3.9Å; F254-F428 HydrophobicContact CZ-CD2 3.9Å; F254-F428 HydrophobicContact CZ-CG 4.13Å; P424-F428 HydrophobicContact CB-CD2 4.03Å; P424-F428 HydrophobicContact CB-CE2 4.42Å; P424-F428 WeakPolarHBondContact O-CB 3.41Å; P424-F428 VanDerWaalsContact O-CD2 3.31Å; P424-F428 WeakPolarHBondContact O-CD2 3.23Å; P424-F428 PolarHBondContact O-N 3.16Å; F428-F449 AromaticContact CD1-CE1 3.92Å; F428-F449 HydrophobicContact CD1-CE1 3.92Å; F428-F449 HydrophobicContact CE1-CD1 4.41Å; F428-F449 AromaticContact CE1-CE1 3.93Å; F428-F449 HydrophobicContact CE1-CE1 3.93Å
429	Q	92	Very high	90.3	Very high	6 Å²	6	16.8 Å²	16.8	3%	0.028	11%	0.109	C	C	.	.	I	π-helix	trans	-125.3	-52.6	177.7	-51.2	172	-17	0	0	112.2	S250 I251 F254 G425 L433	S250-Q429 WeakPolarHBondContact CB-O 3.34Å; S250-Q429 PolarHBondContact OG-O 2.95Å; I251-Q429 HydrophobicContact CG1-CB 4.23Å; I251-Q429 HydrophobicContact CG2-CG 4.45Å; F254-Q429 HydrophobicContact CB-CG 3.89Å; F254-Q429 HydrophobicContact CD1-CG 4.01Å; F254-Q429 HydrophobicContact CG-CG 4.3Å; G425-Q429 WeakPolarHBondContact O-CA 3.31Å; G425-Q429 WeakPolarHBondContact O-CB 3.41Å; G425-Q429 PolarHBondContact O-N 3.37Å; Q429-L433 WeakPolarHBondContact O-CB 3.44Å; Q429-L433 PolarHBondContact O-N 3.47Å
430	V	91.7	Very high	90.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.144	C	C	.	.	I	π-helix	trans	-77	-48	-175.2	-177.2	0	0	0	0	112	L405 L408 G425 L426 L433 A434	L405-V430 HydrophobicContact CD2-CG1 3.8Å; L408-V430 HydrophobicContact CD2-CG1 3.55Å; G425-V430 PolarHBondContact O-N 2.97Å; L426-V430 HydrophobicContact CD1-CB 4.3Å; L426-V430 HydrophobicContact CD1-CG1 4.39Å; L426-V430 PolarHBondContact O-N 2.71Å; V430-L433 WeakPolarHBondContact O-CB 3.19Å; V430-L433 PolarHBondContact O-N 3.15Å; V430-A434 PolarHBondContact O-N 3.12Å; V430-A434 VanDerWaalsContact O-N 3.07Å
431	Y	93.2	Very high	91.6	Very high	6 Å²	6	24.9 Å²	24.9	2%	0.024	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-46	175.1	-87.4	-70.3	0	0	0	113.4	V401 Y404 L426 L433 A434 I435 F448	V401-Y431 WeakPolarHBondContact CA-OH 3.32Å; V401-Y431 WeakPolarHBondContact CB-OH 3.47Å; V401-Y431 HydrophobicContact CG1-CE2 4.44Å; V401-Y431 WeakPolarHBondContact CG1-OH 3.28Å; V401-Y431 WeakPolarHBondContact CG2-OH 3.43Å; V401-Y431 PolarHBondContact O-OH 3.47Å; Y404-Y431 HydrophobicContact CG-CE1 4.39Å; L426-Y431 HydrophobicContact CD1-CD2 4.22Å; L426-Y431 HydrophobicContact CD1-CE2 3.79Å; L426-Y431 HydrophobicContact CD2-CE2 3.9Å; L426-Y431 HydrophobicContact CG-CD2 3.88Å; L426-Y431 HydrophobicContact CG-CE2 3.59Å; L426-Y431 VanDerWaalsContact O-CD2 3.29Å; L426-Y431 WeakPolarHBondContact O-CD2 3.45Å; L426-Y431 PolarHBondContact O-N 2.97Å; Y431-L433 PolarHBondContact O-N 3.4Å; Y431-A434 PolarHBondContact O-N 2.92Å; Y431-A434 VanDerWaalsContact O-N 3.12Å; Y431-I435 WeakPolarHBondContact O-CB 3.41Å; Y431-I435 WeakPolarHBondContact O-CG1 3.48Å; Y431-I435 PolarHBondContact O-N 2.87Å; Y431-F448 HydrophobicContact CD1-CE2 4.07Å; Y431-F448 HydrophobicContact CD1-CZ 4.2Å; Y431-F448 HydrophobicContact CD2-CE2 4.32Å; Y431-F448 AromaticContact CD2-CZ 3.89Å; Y431-F448 HydrophobicContact CD2-CZ 3.89Å; Y431-F448 HydrophobicContact CG-CE1 4.33Å; Y431-F448 AromaticContact CG-CE2 3.94Å; Y431-F448 HydrophobicContact CG-CE2 3.94Å; Y431-F448 AromaticContact CG-CZ 3.61Å; Y431-F448 HydrophobicContact CG-CZ 3.61Å
432	P	94.9	Very high	92.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-30.7	178.1	-28.9	41.9	0	0	0	112.3	F196 W207 V427 G436 F449	F196-P432 HydrophobicContact CE1-CG 4.3Å; W207-P432 HydrophobicContact CD2-CB 4.17Å; W207-P432 HydrophobicContact CG-CB 4.09Å; W207-P432 HydrophobicContact CZ2-CB 4.38Å; W207-P432 PolarHBondContact NE1-O 3.04Å; V427-P432 VanDerWaalsContact O-CD 3.22Å; V427-P432 WeakPolarHBondContact O-CD 3.49Å; V427-P432 WeakPolarHBondContact O-CG 3.43Å; P432-G436 WeakPolarHBondContact O-CA 3.36Å; P432-G436 PolarHBondContact O-N 3.24Å; P432-F449 HydrophobicContact CG-CZ 3.89Å
433	L	93.2	Very high	93.3	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.063	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-56.1	169.3	177.9	63	0	0	0	111.3	F223 L248 L408 Q429 V430 Y431 I435 G436 T437 L610	F223-L433 HydrophobicContact CB-CD1 4.25Å; F223-L433 HydrophobicContact CD2-CD1 4.25Å; F223-L433 HydrophobicContact CG-CD1 4.49Å; L248-L433 HydrophobicContact CD2-CD1 3.56Å; L248-L433 HydrophobicContact CD2-CD2 3.28Å; L248-L433 HydrophobicContact CD2-CG 4.02Å; L248-L433 HydrophobicContact CG-CD1 4.5Å; L408-L433 HydrophobicContact CD1-CD2 3.78Å; L408-L433 HydrophobicContact CD1-CG 3.94Å; L408-L433 HydrophobicContact CD2-CD2 4.07Å; Q429-L433 WeakPolarHBondContact O-CB 3.44Å; Q429-L433 PolarHBondContact O-N 3.47Å; V430-L433 WeakPolarHBondContact O-CB 3.19Å; V430-L433 PolarHBondContact O-N 3.15Å; Y431-L433 PolarHBondContact O-N 3.4Å; L433-I435 VanDerWaalsContact C-N 3.32Å; L433-I435 PolarHBondContact O-N 2.97Å; L433-G436 PolarHBondContact O-N 3.21Å; L433-G436 VanDerWaalsContact O-N 3.16Å; L433-T437 WeakPolarHBondContact O-CG2 3.4Å; L433-T437 PolarHBondContact O-N 2.83Å; L433-L610 HydrophobicContact CD2-CD2 3.61Å
434	A	94.3	Very high	93.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-60.8	-40.1	-178.6	0	0	0	0	0	112.6	L408 V430 Y431 T437	L408-A434 HydrophobicContact CB-CB 4.25Å; L408-A434 HydrophobicContact CD1-CB 4.46Å; L408-A434 HydrophobicContact CD2-CB 4.38Å; V430-A434 PolarHBondContact O-N 3.12Å; V430-A434 VanDerWaalsContact O-N 3.07Å; Y431-A434 PolarHBondContact O-N 2.92Å; Y431-A434 VanDerWaalsContact O-N 3.12Å; A434-T437 PolarHBondContact O-OG1 3.49Å
435	I	95.8	Very high	94.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-68.7	-38.7	176.7	-73	170	0	0	0	111	Y431 L433 T437 L438 A441 W444 A445 F448	Y431-I435 WeakPolarHBondContact O-CB 3.41Å; Y431-I435 WeakPolarHBondContact O-CG1 3.48Å; Y431-I435 PolarHBondContact O-N 2.87Å; L433-I435 VanDerWaalsContact C-N 3.32Å; L433-I435 PolarHBondContact O-N 2.97Å; I435-T437 PolarHBondContact O-N 2.93Å; I435-L438 WeakPolarHBondContact O-CB 3.32Å; I435-L438 PolarHBondContact O-N 3.15Å; I435-L438 VanDerWaalsContact O-N 3.13Å; I435-A441 VanDerWaalsContact O-CB 3.29Å; I435-A441 WeakPolarHBondContact O-CB 3.46Å; I435-W444 HydrophobicContact CG2-CB 3.8Å; I435-A445 HydrophobicContact CG2-CB 3.89Å; I435-F448 HydrophobicContact CD1-CB 3.62Å; I435-F448 HydrophobicContact CD1-CD1 3.84Å; I435-F448 HydrophobicContact CD1-CD2 4.18Å; I435-F448 HydrophobicContact CD1-CG 3.61Å
436	G	95.5	Very high	94.8	Very high	18 Å²	18	27.9 Å²	27.9	19%	0.186	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-19.6	-179.3	0	0	0	0	0	114.6	P432 L433	P432-G436 WeakPolarHBondContact O-CA 3.36Å; P432-G436 PolarHBondContact O-N 3.24Å; L433-G436 PolarHBondContact O-N 3.21Å; L433-G436 VanDerWaalsContact O-N 3.16Å
437	T	93.8	Very high	95.2	Very high	43 Å²	43	28.8 Å²	28.8	26%	0.264	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.2	178.1	65.8	0	0	0	0	113.9	F223 Y407 L411 L433 A434 I435	F223-T437 HydrophobicContact CD1-CG2 4.15Å; F223-T437 HydrophobicContact CG-CG2 4.42Å; Y407-T437 VanDerWaalsContact CE1-OG1 3.31Å; Y407-T437 WeakPolarHBondContact CE1-OG1 3.43Å; Y407-T437 PolarHBondContact OH-OG1 2.96Å; L411-T437 HydrophobicContact CD2-CG2 3.73Å; L433-T437 WeakPolarHBondContact O-CG2 3.4Å; L433-T437 PolarHBondContact O-N 2.83Å; A434-T437 PolarHBondContact O-OG1 3.49Å; I435-T437 PolarHBondContact O-N 2.93Å
438	L	95.2	Very high	95.4	Very high	11 Å²	11	29 Å²	29	6%	0.058	16%	0.159	C	C	.	.	S	Bend	trans	-82.7	151.8	-178.5	-59.4	171.6	0	0	0	111.9	L324 Y404 Y407 I435 F440 A441 W444	L324-L438 HydrophobicContact CD1-CD2 3.86Å; L324-L438 HydrophobicContact CD2-CD2 3.58Å; L324-L438 HydrophobicContact CG-CD2 4.38Å; Y404-L438 HydrophobicContact CE1-CD1 3.8Å; Y407-L438 HydrophobicContact CE1-CD2 4.02Å; I435-L438 WeakPolarHBondContact O-CB 3.32Å; I435-L438 PolarHBondContact O-N 3.15Å; I435-L438 VanDerWaalsContact O-N 3.13Å; L438-F440 PolarHBondContact O-N 3.29Å; L438-A441 WeakPolarHBondContact O-CB 3.42Å; L438-A441 PolarHBondContact O-N 2.9Å; L438-W444 HydrophobicContact CD1-CB 4.14Å; L438-W444 HydrophobicContact CD1-CD2 4.46Å; L438-W444 HydrophobicContact CD1-CG 3.85Å
439	P	93.7	Very high	95.6	Very high	90 Å²	90	29 Å²	29	58%	0.584	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	139.8	164.6	28.7	-34.4	0	0	0	109.6	A441 W444	P439-A441 VanDerWaalsContact C-N 3.26Å; P439-A441 PolarHBondContact O-N 2.9Å; P439-W444 VanDerWaalsContact O-CD1 3.31Å; P439-W444 PolarHBondContact O-NE1 3.42Å
440	F	94.4	Very high	95.8	Very high	168 Å²	168	31.6 Å²	31.6	74%	0.737	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	37.5	-174.7	-47.6	-78	0	0	0	113.2	L438 P442 L443	L438-F440 PolarHBondContact O-N 3.29Å; F440-P442 VanDerWaalsContact C-N 3.27Å; F440-L443 HydrophobicContact CB-CB 4.43Å; F440-L443 WeakPolarHBondContact O-CB 3.5Å; F440-L443 PolarHBondContact O-N 3.38Å
441	A	96.7	Very high	96.1	Very high	10 Å²	10	31.8 Å²	31.8	8%	0.083	17%	0.172	C	C	.	.	H	α-helix	trans	-43.8	-40.4	-179.7	0	0	0	0	0	115.5	L205 I435 L438 P439 L443 W444 A445	L205-A441 HydrophobicContact CD1-CB 3.46Å; L205-A441 VanDerWaalsContact CD1-CB 3.46Å; L205-A441 HydrophobicContact CG-CB 4.31Å; I435-A441 VanDerWaalsContact O-CB 3.29Å; I435-A441 WeakPolarHBondContact O-CB 3.46Å; L438-A441 WeakPolarHBondContact O-CB 3.42Å; L438-A441 PolarHBondContact O-N 2.9Å; P439-A441 VanDerWaalsContact C-N 3.26Å; P439-A441 PolarHBondContact O-N 2.9Å; A441-L443 VanDerWaalsContact C-N 3.27Å; A441-L443 PolarHBondContact O-N 3.32Å; A441-W444 PolarHBondContact O-N 3.03Å; A441-A445 WeakPolarHBondContact O-CB 3.49Å; A441-A445 PolarHBondContact O-N 3.19Å
442	P	97.8	Very high	96.3	Very high	33 Å²	33	31.5 Å²	31.5	21%	0.214	17%	0.172	C	C	.	.	H	α-helix	trans	-53.2	-38.3	174.3	-30.8	38.8	0	0	0	115	S200 T202 L205 F440 T446	S200-P442 WeakPolarHBondContact O-CB 3.09Å; T202-P442 WeakPolarHBondContact O-CB 3.41Å; T202-P442 WeakPolarHBondContact O-CG 3.49Å; L205-P442 HydrophobicContact CD2-CB 4.44Å; L205-P442 HydrophobicContact CD2-CG 4.34Å; L205-P442 HydrophobicContact CG-CG 4.24Å; F440-P442 VanDerWaalsContact C-N 3.27Å; P442-T446 WeakPolarHBondContact O-CB 3.48Å; P442-T446 PolarHBondContact O-N 3.42Å; P442-T446 PolarHBondContact O-OG1 3.21Å
443	L	96.8	Very high	96.5	Very high	96 Å²	96	31.8 Å²	31.8	50%	0.503	17%	0.173	S	C	.	.	H	α-helix	trans	-64.4	-50.8	177.8	175.1	65.5	0	0	0	110.9	F440 A441 A445 T446 I447	F440-L443 HydrophobicContact CB-CB 4.43Å; F440-L443 WeakPolarHBondContact O-CB 3.5Å; F440-L443 PolarHBondContact O-N 3.38Å; A441-L443 VanDerWaalsContact C-N 3.27Å; A441-L443 PolarHBondContact O-N 3.32Å; L443-A445 VanDerWaalsContact C-N 3.34Å; L443-A445 PolarHBondContact O-N 3.38Å; L443-T446 PolarHBondContact O-N 3.27Å; L443-I447 HydrophobicContact CD1-CD1 4.08Å; L443-I447 HydrophobicContact CG-CD1 4.04Å; L443-I447 WeakPolarHBondContact O-CG1 2.95Å; L443-I447 PolarHBondContact O-N 3.14Å
444	W	97.5	Very high	96.7	Very high	37 Å²	37	31.8 Å²	31.8	14%	0.14	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-39.4	-178.5	-58	115.4	0	0	0	112	I316 L317 N320 I435 L438 P439 A441 I447 F448	I316-W444 HydrophobicContact CG2-CZ3 3.95Å; L317-W444 HydrophobicContact CD2-CE3 4.3Å; N320-W444 HydrophobicContact CB-CE3 4.22Å; N320-W444 HydrophobicContact CB-CH2 3.45Å; N320-W444 VanDerWaalsContact CB-CH2 3.45Å; N320-W444 HydrophobicContact CB-CZ2 4.12Å; N320-W444 HydrophobicContact CB-CZ3 3.5Å; N320-W444 VanDerWaalsContact CB-CZ3 3.5Å; N320-W444 VanDerWaalsContact CG-CH2 3.42Å; N320-W444 WeakPolarHBondContact OD1-CH2 3.41Å; N320-W444 VanDerWaalsContact OD1-CZ2 3.31Å; N320-W444 WeakPolarHBondContact OD1-CZ2 3.37Å; I435-W444 HydrophobicContact CG2-CB 3.8Å; L438-W444 HydrophobicContact CD1-CB 4.14Å; L438-W444 HydrophobicContact CD1-CD2 4.46Å; L438-W444 HydrophobicContact CD1-CG 3.85Å; P439-W444 VanDerWaalsContact O-CD1 3.31Å; P439-W444 PolarHBondContact O-NE1 3.42Å; A441-W444 PolarHBondContact O-N 3.03Å; W444-I447 HydrophobicContact CE3-CD1 4.33Å; W444-I447 PolarHBondContact O-N 2.99Å; W444-F448 WeakPolarHBondContact O-CB 3.47Å; W444-F448 PolarHBondContact O-N 2.77Å
445	A	98.3	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-45.9	174.9	0	0	0	0	0	111.3	S200 L205 W207 I435 A441 L443 I447 F448 F449	S200-A445 WeakPolarHBondContact OG-CB 3.31Å; L205-A445 HydrophobicContact CD1-CB 4.09Å; L205-A445 HydrophobicContact CD2-CB 4.01Å; W207-A445 HydrophobicContact CH2-CB 4.03Å; W207-A445 HydrophobicContact CZ2-CB 3.73Å; I435-A445 HydrophobicContact CG2-CB 3.89Å; A441-A445 WeakPolarHBondContact O-CB 3.49Å; A441-A445 PolarHBondContact O-N 3.19Å; L443-A445 VanDerWaalsContact C-N 3.34Å; L443-A445 PolarHBondContact O-N 3.38Å; A445-I447 VanDerWaalsContact C-N 3.35Å; A445-I447 PolarHBondContact O-N 3.46Å; A445-F448 PolarHBondContact O-N 2.85Å; A445-F449 HydrophobicContact CB-CD2 4.35Å; A445-F449 HydrophobicContact CB-CE2 4.32Å; A445-F449 WeakPolarHBondContact O-CD2 3.41Å; A445-F449 PolarHBondContact O-N 3.23Å
446	T	98.1	Very high	96.8	Very high	47 Å²	47	31.9 Å²	31.9	29%	0.288	17%	0.173	S	C	.	.	H	α-helix	trans	-59.1	-45.7	177.3	-57.9	0	0	0	0	111.3	L197 P442 L443 M450	L197-T446 HydrophobicContact CD1-CG2 3.69Å; P442-T446 WeakPolarHBondContact O-CB 3.48Å; P442-T446 PolarHBondContact O-N 3.42Å; P442-T446 PolarHBondContact O-OG1 3.21Å; L443-T446 PolarHBondContact O-N 3.27Å; T446-M450 WeakPolarHBondContact O-CB 3.38Å; T446-M450 PolarHBondContact O-N 3.42Å
447	I	97.8	Very high	96.9	Very high	22 Å²	22	31.3 Å²	31.3	11%	0.113	17%	0.166	C	C	.	.	H	α-helix	trans	-60.3	-47.4	176.2	-71.1	167.6	0	0	0	111	L313 I316 L317 L443 W444 A445 L451	L313-I447 HydrophobicContact CB-CG2 4.17Å; L313-I447 HydrophobicContact CD2-CG1 4.5Å; L313-I447 HydrophobicContact CD2-CG2 3.9Å; I316-I447 HydrophobicContact CG2-CD1 3.99Å; L317-I447 HydrophobicContact CD1-CG2 4.13Å; L317-I447 HydrophobicContact CD2-CG2 3.86Å; L317-I447 HydrophobicContact CG-CG2 3.72Å; L443-I447 HydrophobicContact CD1-CD1 4.08Å; L443-I447 HydrophobicContact CG-CD1 4.04Å; L443-I447 WeakPolarHBondContact O-CG1 2.95Å; L443-I447 PolarHBondContact O-N 3.14Å; W444-I447 HydrophobicContact CE3-CD1 4.33Å; W444-I447 PolarHBondContact O-N 2.99Å; A445-I447 VanDerWaalsContact C-N 3.35Å; A445-I447 PolarHBondContact O-N 3.46Å; I447-L451 WeakPolarHBondContact O-CB 3.5Å; I447-L451 PolarHBondContact O-N 2.83Å
448	F	97.8	Very high	97	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-47.4	-178.3	177.6	-105.7	0	0	0	112.7	L317 V427 Y431 I435 W444 A445 L451 L452	L317-F448 HydrophobicContact CD1-CB 4.43Å; L317-F448 HydrophobicContact CD1-CD2 4.21Å; V427-F448 HydrophobicContact CG1-CE1 4.16Å; V427-F448 HydrophobicContact CG1-CZ 4.15Å; Y431-F448 HydrophobicContact CD1-CE2 4.07Å; Y431-F448 HydrophobicContact CD1-CZ 4.2Å; Y431-F448 HydrophobicContact CD2-CE2 4.32Å; Y431-F448 AromaticContact CD2-CZ 3.89Å; Y431-F448 HydrophobicContact CD2-CZ 3.89Å; Y431-F448 HydrophobicContact CG-CE1 4.33Å; Y431-F448 AromaticContact CG-CE2 3.94Å; Y431-F448 HydrophobicContact CG-CE2 3.94Å; Y431-F448 AromaticContact CG-CZ 3.61Å; Y431-F448 HydrophobicContact CG-CZ 3.61Å; I435-F448 HydrophobicContact CD1-CB 3.62Å; I435-F448 HydrophobicContact CD1-CD1 3.84Å; I435-F448 HydrophobicContact CD1-CD2 4.18Å; I435-F448 HydrophobicContact CD1-CG 3.61Å; W444-F448 WeakPolarHBondContact O-CB 3.47Å; W444-F448 PolarHBondContact O-N 2.77Å; A445-F448 PolarHBondContact O-N 2.85Å; F448-L451 WeakPolarHBondContact O-CB 3.43Å; F448-L451 PolarHBondContact O-N 2.9Å; F448-L452 HydrophobicContact CD1-CD1 4.07Å; F448-L452 HydrophobicContact CE1-CD1 3.59Å; F448-L452 HydrophobicContact CZ-CD1 3.85Å; F448-L452 HydrophobicContact CZ-CG 4.46Å; F448-L452 WeakPolarHBondContact O-CG 3.25Å; F448-L452 PolarHBondContact O-N 3.12Å
449	F	98.2	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-73	-31.5	179.7	-68.8	-63.3	0	0	0	112.8	F196 L197 W207 F428 P432 A445 L451 L452 I453	F196-F449 HydrophobicContact CB-CD1 3.56Å; F196-F449 HydrophobicContact CB-CD2 3.68Å; F196-F449 HydrophobicContact CB-CE1 3.43Å; F196-F449 VanDerWaalsContact CB-CE1 3.43Å; F196-F449 HydrophobicContact CB-CE2 3.58Å; F196-F449 HydrophobicContact CB-CG 3.69Å; F196-F449 HydrophobicContact CB-CZ 3.44Å; F196-F449 VanDerWaalsContact CB-CZ 3.44Å; F196-F449 AromaticContact CD1-CE1 3.91Å; F196-F449 HydrophobicContact CD1-CE1 3.91Å; F196-F449 AromaticContact CD1-CE2 3.7Å; F196-F449 HydrophobicContact CD1-CE2 3.7Å; F196-F449 AromaticContact CD1-CZ 3.25Å; F196-F449 HydrophobicContact CD1-CZ 3.25Å; F196-F449 HydrophobicContact CE1-CZ 4.14Å; F196-F449 HydrophobicContact CG-CD1 4.34Å; F196-F449 AromaticContact CG-CE1 3.72Å; F196-F449 HydrophobicContact CG-CE1 3.72Å; F196-F449 HydrophobicContact CG-CE2 4.04Å; F196-F449 AromaticContact CG-CZ 3.54Å; F196-F449 HydrophobicContact CG-CZ 3.54Å; L197-F449 HydrophobicContact CB-CB 4Å; L197-F449 HydrophobicContact CD1-CB 4.34Å; W207-F449 HydrophobicContact CH2-CD2 4.41Å; W207-F449 AromaticContact CH2-CE2 3.66Å; W207-F449 HydrophobicContact CH2-CE2 3.66Å; W207-F449 HydrophobicContact CH2-CZ 4.48Å; W207-F449 AromaticContact CZ2-CE2 3.99Å; W207-F449 HydrophobicContact CZ2-CE2 3.99Å; W207-F449 HydrophobicContact CZ3-CE2 4.43Å; F428-F449 AromaticContact CD1-CE1 3.92Å; F428-F449 HydrophobicContact CD1-CE1 3.92Å; F428-F449 HydrophobicContact CE1-CD1 4.41Å; F428-F449 AromaticContact CE1-CE1 3.93Å; F428-F449 HydrophobicContact CE1-CE1 3.93Å; P432-F449 HydrophobicContact CG-CZ 3.89Å; A445-F449 HydrophobicContact CB-CD2 4.35Å; A445-F449 HydrophobicContact CB-CE2 4.32Å; A445-F449 WeakPolarHBondContact O-CD2 3.41Å; A445-F449 PolarHBondContact O-N 3.23Å; F449-L451 VanDerWaalsContact C-N 3.35Å; F449-L452 HydrophobicContact CD1-CD1 3.88Å; F449-L452 HydrophobicContact CE1-CD1 4.25Å; F449-L452 PolarHBondContact O-N 3.4Å; F449-I453 WeakPolarHBondContact O-CD1 3.3Å; F449-I453 VanDerWaalsContact O-CG1 3.26Å; F449-I453 WeakPolarHBondContact O-CG1 3.49Å; F449-I453 PolarHBondContact O-N 3.11Å; F449-I453 VanDerWaalsContact O-N 3.08Å
450	M	98	Very high	97.1	Very high	60 Å²	60	25.4 Å²	25.4	30%	0.296	13%	0.13	S	C	.	.	H	α-helix	trans	-62	-43.5	170.6	-172.5	63.8	175.1	0	0	111.2	L197 L309 L313 T446 L452 I453 M454	L197-M450 HydrophobicContact CD1-CB 4.48Å; L197-M450 HydrophobicContact CD2-SD 4.33Å; L309-M450 HydrophobicContact CD2-CE 3.99Å; L309-M450 HydrophobicContact CD2-CG 4.41Å; L313-M450 HydrophobicContact CD1-CB 4.16Å; L313-M450 HydrophobicContact CD1-CG 4.06Å; T446-M450 WeakPolarHBondContact O-CB 3.38Å; T446-M450 PolarHBondContact O-N 3.42Å; M450-L452 PolarHBondContact O-N 3.02Å; M450-I453 PolarHBondContact O-N 3.08Å; M450-M454 HydrophobicContact CE-CE 3.38Å; M450-M454 HydrophobicContact CE-SD 3.93Å; M450-M454 WeakPolarHBondContact O-CG 3.19Å; M450-M454 PolarHBondContact O-N 3.09Å; M450-M454 HydrophobicContact SD-CE 3.8Å
451	L	97.6	Very high	97.2	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-54.7	-50.4	174.6	164.6	66.6	0	0	0	111.5	P310 L313 L314 L317 I447 F448 F449 I453 M454 L455	P310-L451 HydrophobicContact CB-CD1 3.61Å; P310-L451 HydrophobicContact CG-CD1 4.35Å; L313-L451 HydrophobicContact CB-CB 4.06Å; L313-L451 HydrophobicContact CB-CD1 4.39Å; L313-L451 HydrophobicContact CD1-CB 3.82Å; L314-L451 HydrophobicContact CD1-CD1 3.4Å; L314-L451 HydrophobicContact CD1-CD2 3.5Å; L314-L451 HydrophobicContact CD1-CG 4.06Å; L314-L451 HydrophobicContact CG-CD2 4.38Å; L317-L451 HydrophobicContact CD1-CD2 3.98Å; I447-L451 WeakPolarHBondContact O-CB 3.5Å; I447-L451 PolarHBondContact O-N 2.83Å; F448-L451 WeakPolarHBondContact O-CB 3.43Å; F448-L451 PolarHBondContact O-N 2.9Å; F449-L451 VanDerWaalsContact C-N 3.35Å; L451-I453 VanDerWaalsContact C-N 3.33Å; L451-I453 PolarHBondContact O-N 3.49Å; L451-M454 PolarHBondContact O-N 3.32Å; L451-L455 HydrophobicContact CD1-CD1 3.87Å; L451-L455 HydrophobicContact CD1-CG 4.12Å; L451-L455 HydrophobicContact CG-CD1 4.15Å; L451-L455 WeakPolarHBondContact O-CG 3.17Å; L451-L455 PolarHBondContact O-N 3.12Å; L451-L455 VanDerWaalsContact O-N 3.11Å
452	L	97.5	Very high	97.2	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-62	-40.8	-179.3	-63.4	170.4	0	0	0	112.2	L110 V113 S193 V427 F448 F449 M450 L455 G456	L110-L452 HydrophobicContact CD2-CB 3.89Å; L110-L452 HydrophobicContact CD2-CD2 3.53Å; L110-L452 HydrophobicContact CD2-CG 4.3Å; L110-L452 WeakPolarHBondContact CD2-O 3.42Å; V113-L452 HydrophobicContact CG1-CD2 4.45Å; S193-L452 WeakPolarHBondContact OG-CB 3.46Å; V427-L452 HydrophobicContact CG1-CD1 3.33Å; V427-L452 HydrophobicContact CG1-CD2 4.31Å; V427-L452 HydrophobicContact CG1-CG 4.47Å; F448-L452 HydrophobicContact CD1-CD1 4.07Å; F448-L452 HydrophobicContact CE1-CD1 3.59Å; F448-L452 HydrophobicContact CZ-CD1 3.85Å; F448-L452 HydrophobicContact CZ-CG 4.46Å; F448-L452 WeakPolarHBondContact O-CG 3.25Å; F448-L452 PolarHBondContact O-N 3.12Å; F449-L452 HydrophobicContact CD1-CD1 3.88Å; F449-L452 HydrophobicContact CE1-CD1 4.25Å; F449-L452 PolarHBondContact O-N 3.4Å; M450-L452 PolarHBondContact O-N 3.02Å; L452-L455 PolarHBondContact O-N 3.13Å; L452-G456 PolarHBondContact O-N 3.1Å
453	I	98	Very high	97.1	Very high	6 Å²	6	15.9 Å²	15.9	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-63.6	-44.3	177.5	-65.3	158.7	0	0	0	110.5	L194 L197 I284 F449 M450 L451 L455 G456 L457	L194-I453 HydrophobicContact CB-CD1 4.16Å; L194-I453 HydrophobicContact CD1-CD1 4.12Å; L197-I453 HydrophobicContact CB-CD1 4.05Å; L197-I453 HydrophobicContact CD2-CD1 3.56Å; L197-I453 HydrophobicContact CG-CD1 4.4Å; I284-I453 HydrophobicContact CD1-CG2 4.06Å; F449-I453 WeakPolarHBondContact O-CD1 3.3Å; F449-I453 VanDerWaalsContact O-CG1 3.26Å; F449-I453 WeakPolarHBondContact O-CG1 3.49Å; F449-I453 PolarHBondContact O-N 3.11Å; F449-I453 VanDerWaalsContact O-N 3.08Å; M450-I453 PolarHBondContact O-N 3.08Å; L451-I453 VanDerWaalsContact C-N 3.33Å; L451-I453 PolarHBondContact O-N 3.49Å; I453-L455 PolarHBondContact O-N 3.3Å; I453-G456 PolarHBondContact O-N 3.14Å; I453-L457 HydrophobicContact CG2-CD1 3.89Å; I453-L457 HydrophobicContact CG2-CG 4.16Å; I453-L457 WeakPolarHBondContact O-CB 3.19Å; I453-L457 VanDerWaalsContact O-CG 3.26Å; I453-L457 WeakPolarHBondContact O-CG 3.12Å; I453-L457 PolarHBondContact O-N 2.85Å
454	M	97.5	Very high	97.1	Very high	12 Å²	12	11.3 Å²	11.3	6%	0.059	6%	0.061	C	C	.	.	H	α-helix	trans	-59.6	-47.6	178.6	-65	-57.9	97.5	0	0	111.6	T306 L309 P310 M450 L451 G456 L457 D458	T306-M454 HydrophobicContact CG2-SD 3.78Å; L309-M454 HydrophobicContact CB-CG 4.47Å; L309-M454 HydrophobicContact CD2-CG 4.03Å; L309-M454 HydrophobicContact CD2-SD 4.07Å; L309-M454 HydrophobicContact CG-CG 4.46Å; P310-M454 HydrophobicContact CG-CB 3.84Å; M450-M454 HydrophobicContact CE-CE 3.38Å; M450-M454 HydrophobicContact CE-SD 3.93Å; M450-M454 WeakPolarHBondContact O-CG 3.19Å; M450-M454 PolarHBondContact O-N 3.09Å; M450-M454 HydrophobicContact SD-CE 3.8Å; L451-M454 PolarHBondContact O-N 3.32Å; M454-G456 VanDerWaalsContact C-N 3.34Å; M454-G456 PolarHBondContact O-N 2.97Å; M454-L457 HydrophobicContact CE-CD1 4Å; M454-L457 PolarHBondContact O-N 3.03Å; M454-D458 PolarHBondContact O-N 3.28Å
455	L	96.7	Very high	97.1	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-61.9	-39.7	176.8	-65.9	174.6	0	0	0	112.7	V108 L110 V113 P310 L451 L452 I453 S459	V108-L455 HydrophobicContact CG1-CD2 3.72Å; V108-L455 WeakPolarHBondContact O-CD2 3.31Å; L110-L455 HydrophobicContact CD2-CB 4.09Å; L110-L455 HydrophobicContact CG-CB 4.24Å; V113-L455 HydrophobicContact CG2-CD1 3.48Å; V113-L455 VanDerWaalsContact CG2-CD1 3.48Å; P310-L455 HydrophobicContact CB-CD2 3.86Å; P310-L455 HydrophobicContact CB-CG 4.38Å; P310-L455 HydrophobicContact CG-CD2 3.93Å; P310-L455 HydrophobicContact CG-CG 4.33Å; L451-L455 HydrophobicContact CD1-CD1 3.87Å; L451-L455 HydrophobicContact CD1-CG 4.12Å; L451-L455 HydrophobicContact CG-CD1 4.15Å; L451-L455 WeakPolarHBondContact O-CG 3.17Å; L451-L455 PolarHBondContact O-N 3.12Å; L451-L455 VanDerWaalsContact O-N 3.11Å; L452-L455 PolarHBondContact O-N 3.13Å; I453-L455 PolarHBondContact O-N 3.3Å; L455-S459 PolarHBondContact O-N 3.11Å; L455-S459 PolarHBondContact O-OG 3.46Å; L455-S459 VanDerWaalsContact O-OG 3.06Å
456	G	96.3	Very high	97	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.8	-36.2	176.3	0	0	0	0	0	113.1	S190 L452 I453 M454 S459 G460	S190-G456 WeakPolarHBondContact OG-CA 3.46Å; L452-G456 PolarHBondContact O-N 3.1Å; I453-G456 PolarHBondContact O-N 3.14Å; M454-G456 VanDerWaalsContact C-N 3.34Å; M454-G456 PolarHBondContact O-N 2.97Å; G456-S459 PolarHBondContact O-OG 3.49Å; G456-G460 PolarHBondContact O-N 3.06Å
457	L	97.1	Very high	97	Very high	7 Å²	7	7.5 Å²	7.5	4%	0.037	4%	0.042	C	C	.	.	H	α-helix	trans	-68.1	-42.9	179.9	-74.9	174.5	0	0	0	112.3	I284 I287 L288 T306 I453 M454 G460 M461	I284-L457 HydrophobicContact CG2-CD2 4.41Å; I287-L457 HydrophobicContact CB-CD2 4.3Å; I287-L457 HydrophobicContact CG2-CD1 3.97Å; I287-L457 HydrophobicContact CG2-CD2 3.86Å; L288-L457 HydrophobicContact CD2-CD2 3.85Å; L288-L457 HydrophobicContact CG-CD2 4.03Å; T306-L457 HydrophobicContact CG2-CB 4.4Å; T306-L457 HydrophobicContact CG2-CD1 4.25Å; I453-L457 HydrophobicContact CG2-CD1 3.89Å; I453-L457 HydrophobicContact CG2-CG 4.16Å; I453-L457 WeakPolarHBondContact O-CB 3.19Å; I453-L457 VanDerWaalsContact O-CG 3.26Å; I453-L457 WeakPolarHBondContact O-CG 3.12Å; I453-L457 PolarHBondContact O-N 2.85Å; M454-L457 HydrophobicContact CE-CD1 4Å; M454-L457 PolarHBondContact O-N 3.03Å; L457-G460 PolarHBondContact O-N 3.34Å; L457-M461 WeakPolarHBondContact O-CG 3.41Å; L457-M461 PolarHBondContact O-N 3.08Å
458	D	96.4	Very high	96.9	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.011	4%	0.037	C	C	.	.	H	α-helix	trans	-66.4	-44	-179.3	-75.9	-26.5	0	0	0	112.6	G105 T306 A307 M454 G460 M461 G462	G105-D458 VanDerWaalsContact C-CB 3.5Å; G105-D458 WeakPolarHBondContact O-CB 3.46Å; T306-D458 WeakPolarHBondContact CB-OD1 3.48Å; T306-D458 PolarHBondContact OG1-OD1 2.93Å; A307-D458 VanDerWaalsContact CA-OD2 3.25Å; A307-D458 WeakPolarHBondContact CA-OD2 3.48Å; A307-D458 PolarHBondContact N-OD2 3.44Å; A307-D458 VanDerWaalsContact N-OD2 3.14Å; M454-D458 PolarHBondContact O-N 3.28Å; D458-G460 VanDerWaalsContact C-N 3.34Å; D458-G460 PolarHBondContact O-N 3.25Å; D458-M461 HydrophobicContact CB-CE 4.47Å; D458-M461 PolarHBondContact O-N 3.08Å; D458-M461 WeakPolarHBondContact OD1-CE 3.31Å; D458-G462 PolarHBondContact O-N 2.95Å
459	S	95.3	Very high	96.7	Very high	14 Å²	14	6.1 Å²	6.1	10%	0.098	4%	0.035	C	C	.	.	H	α-helix	trans	-61	-42.8	173.2	54.2	0	0	0	0	111.8	L455 G456 G462 G463	L455-S459 PolarHBondContact O-N 3.11Å; L455-S459 PolarHBondContact O-OG 3.46Å; L455-S459 VanDerWaalsContact O-OG 3.06Å; G456-S459 PolarHBondContact O-OG 3.49Å; S459-G462 PolarHBondContact O-N 3.05Å; S459-G463 PolarHBondContact O-N 2.98Å
460	G	96.2	Very high	96.6	Very high	4 Å²	4	6.1 Å²	6.1	4%	0.041	4%	0.035	C	C	.	.	H	α-helix	trans	-59.8	-44.9	173.6	0	0	0	0	0	113.2	G456 L457 D458 L464	G456-G460 PolarHBondContact O-N 3.06Å; L457-G460 PolarHBondContact O-N 3.34Å; D458-G460 VanDerWaalsContact C-N 3.34Å; D458-G460 PolarHBondContact O-N 3.25Å; G460-L464 VanDerWaalsContact O-CB 3.32Å; G460-L464 WeakPolarHBondContact O-CB 2.79Å; G460-L464 WeakPolarHBondContact O-CD1 3.28Å; G460-L464 WeakPolarHBondContact O-CG 3.2Å; G460-L464 PolarHBondContact O-N 3.27Å
461	M	96.6	Very high	96.5	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.01	4%	0.037	C	C	.	.	H	α-helix	trans	-61.9	-48.7	177.5	-74.9	-171.9	-64.9	0	0	111.6	L288 M292 V302 V303 L457 D458 E465	L288-M461 HydrophobicContact CD2-CG 3.8Å; M292-M461 HydrophobicContact CG-CG 4.22Å; M292-M461 HydrophobicContact SD-CB 4.31Å; M292-M461 HydrophobicContact SD-CG 4.4Å; V302-M461 HydrophobicContact CG1-CE 4.37Å; V302-M461 HydrophobicContact CG1-SD 4.35Å; V303-M461 HydrophobicContact CG1-CE 3.87Å; L457-M461 WeakPolarHBondContact O-CG 3.41Å; L457-M461 PolarHBondContact O-N 3.08Å; D458-M461 HydrophobicContact CB-CE 4.47Å; D458-M461 PolarHBondContact O-N 3.08Å; D458-M461 WeakPolarHBondContact OD1-CE 3.31Å; M461-E465 WeakPolarHBondContact O-CB 3.36Å; M461-E465 PolarHBondContact O-N 2.95Å
462	G	95.9	Very high	96.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.3	-43.7	-179.4	0	0	0	0	0	113.3	A365 Y369 D458 S459 S466	A365-G462 WeakPolarHBondContact CB-O 3.12Å; Y369-G462 WeakPolarHBondContact OH-CA 3.48Å; Y369-G462 PolarHBondContact OH-N 3.39Å; D458-G462 PolarHBondContact O-N 2.95Å; S459-G462 PolarHBondContact O-N 3.05Å; G462-S466 PolarHBondContact O-N 3.14Å
463	G	95.6	Very high	95.8	Very high	8 Å²	8	9.3 Å²	9.3	8%	0.082	5%	0.054	C	C	.	.	H	α-helix	trans	-60.6	-48.7	176.6	0	0	0	0	0	112.3	S459 S466	S459-G463 PolarHBondContact O-N 2.98Å; G463-S466 WeakPolarHBondContact O-CB 3.32Å; G463-S466 PolarHBondContact O-N 3.38Å; G463-S466 PolarHBondContact O-OG 3.41Å
464	L	97.3	Very high	95.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-72.5	-34.5	-179.1	-73.4	161.8	0	0	0	113	A183 L288 M292 G460 S466 V467 V468 V493 I494 A497	A183-L464 HydrophobicContact CB-CD1 4.27Å; A183-L464 HydrophobicContact CB-CD2 3.59Å; A183-L464 HydrophobicContact CB-CG 3.71Å; L288-L464 HydrophobicContact CD1-CD1 3.95Å; M292-L464 HydrophobicContact CE-CB 3.47Å; M292-L464 VanDerWaalsContact CE-CB 3.47Å; M292-L464 HydrophobicContact CE-CD1 3.67Å; M292-L464 HydrophobicContact CE-CG 4.21Å; M292-L464 HydrophobicContact SD-CB 3.96Å; G460-L464 VanDerWaalsContact O-CB 3.32Å; G460-L464 WeakPolarHBondContact O-CB 2.79Å; G460-L464 WeakPolarHBondContact O-CD1 3.28Å; G460-L464 WeakPolarHBondContact O-CG 3.2Å; G460-L464 PolarHBondContact O-N 3.27Å; L464-S466 PolarHBondContact O-N 3Å; L464-V467 PolarHBondContact O-N 3.32Å; L464-V467 VanDerWaalsContact O-N 3.13Å; L464-V468 WeakPolarHBondContact O-CG2 3.38Å; L464-V468 PolarHBondContact O-N 3.35Å; L464-V493 HydrophobicContact CD2-CG1 3.83Å; L464-I494 HydrophobicContact CD1-CG1 4.22Å; L464-I494 HydrophobicContact CD2-CG1 4.47Å; L464-A497 HydrophobicContact CD2-CB 4.45Å
465	E	96.5	Very high	94.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-60.8	-34	174.6	-178	58.4	-143.5	0	0	111.3	M292 Y369 Y372 M461 V467 T469 R486	M292-E465 HydrophobicContact SD-CB 4.43Å; Y369-E465 HydrophobicContact CD1-CG 4.13Å; Y369-E465 HydrophobicContact CE1-CB 4.18Å; Y369-E465 HydrophobicContact CE1-CG 3.92Å; Y372-E465 HydrophobicContact CE2-CG 4.49Å; Y372-E465 VanDerWaalsContact CE2-OE1 3.31Å; Y372-E465 WeakPolarHBondContact CE2-OE1 3.15Å; Y372-E465 VanDerWaalsContact CZ-OE1 3.31Å; Y372-E465 PolarHBondContact OH-OE1 3.32Å; M461-E465 WeakPolarHBondContact O-CB 3.36Å; M461-E465 PolarHBondContact O-N 2.95Å; E465-V467 VanDerWaalsContact C-N 3.34Å; E465-V467 PolarHBondContact O-N 3.38Å; E465-T469 WeakPolarHBondContact O-CB 3.4Å; E465-T469 PolarHBondContact O-N 3.18Å; E465-T469 PolarHBondContact O-OG1 3.1Å; E465-T469 PolarHBondContact OE1-OG1 3.06Å; E465-R486 IonicContact OE1-CZ 3.87Å; E465-R486 IonicContact OE1-NH1 3.89Å; E465-R486 IonicContact OE1-NH2 2.75Å; E465-R486 PolarHBondContact OE1-NH2 3.35Å; E465-R486 IonicContact OE2-NH2 3.71Å; E465-R486 PolarHBondContact OE2-NH2 3.17Å
466	S	96.6	Very high	93.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-42.9	174.1	82.4	0	0	0	0	112.6	S179 F363 G462 G463 L464 A470	S179-S466 VanDerWaalsContact CB-OG 3.29Å; S179-S466 WeakPolarHBondContact CB-OG 3.3Å; S179-S466 PolarHBondContact OG-OG 2.55Å; F363-S466 PolarHBondContact O-OG 2.88Å; G462-S466 PolarHBondContact O-N 3.14Å; G463-S466 WeakPolarHBondContact O-CB 3.32Å; G463-S466 PolarHBondContact O-N 3.38Å; G463-S466 PolarHBondContact O-OG 3.41Å; L464-S466 PolarHBondContact O-N 3Å; S466-A470 VanDerWaalsContact O-CB 3.3Å; S466-A470 WeakPolarHBondContact O-CB 3.2Å; S466-A470 PolarHBondContact O-N 3.36Å
467	V	97.4	Very high	92.5	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.024	14%	0.137	C	C	.	.	H	α-helix	trans	-70	-49.7	179.1	-179.4	0	0	0	0	110.2	V176 Y180 L464 E465 T469 A470 L471 V493	V176-V467 HydrophobicContact CG1-CB 4.39Å; V176-V467 HydrophobicContact CG1-CG1 4.04Å; V176-V467 HydrophobicContact CG1-CG2 4.24Å; Y180-V467 HydrophobicContact CD2-CG1 4.32Å; L464-V467 PolarHBondContact O-N 3.32Å; L464-V467 VanDerWaalsContact O-N 3.13Å; E465-V467 VanDerWaalsContact C-N 3.34Å; E465-V467 PolarHBondContact O-N 3.38Å; V467-T469 VanDerWaalsContact C-N 3.34Å; V467-T469 PolarHBondContact O-N 2.96Å; V467-A470 PolarHBondContact O-N 3.09Å; V467-L471 HydrophobicContact CG1-CD1 3.96Å; V467-L471 HydrophobicContact CG1-CG 4.43Å; V467-L471 WeakPolarHBondContact O-CB 3.41Å; V467-L471 WeakPolarHBondContact O-CG 3.23Å; V467-L471 PolarHBondContact O-N 3.33Å; V467-V493 HydrophobicContact CB-CG1 4.18Å; V467-V493 HydrophobicContact CG1-CG1 3.72Å; V467-V493 HydrophobicContact CG1-CG2 4.13Å
468	V	96	Very high	91.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.4	-44.5	180	172.2	0	0	0	0	110.9	L464 L471 T472 I489 V493	L464-V468 WeakPolarHBondContact O-CG2 3.38Å; L464-V468 PolarHBondContact O-N 3.35Å; V468-L471 PolarHBondContact O-N 2.99Å; V468-T472 VanDerWaalsContact O-CB 3.29Å; V468-T472 WeakPolarHBondContact O-CB 3.38Å; V468-T472 PolarHBondContact O-N 3.34Å; V468-T472 PolarHBondContact O-OG1 3.33Å; V468-I489 HydrophobicContact CG1-CG2 4.27Å; V468-V493 HydrophobicContact CG2-CB 4.12Å; V468-V493 HydrophobicContact CG2-CG1 4.22Å; V468-V493 HydrophobicContact CG2-CG2 4.2Å
469	T	95.1	Very high	90	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-48.2	177.2	-58.5	0	0	0	0	110.9	A368 Y372 E465 V467 L471 T472 D473	A368-T469 HydrophobicContact CB-CG2 4.28Å; Y372-T469 PolarHBondContact OH-OG1 3.31Å; E465-T469 WeakPolarHBondContact O-CB 3.4Å; E465-T469 PolarHBondContact O-N 3.18Å; E465-T469 PolarHBondContact O-OG1 3.1Å; E465-T469 PolarHBondContact OE1-OG1 3.06Å; V467-T469 VanDerWaalsContact C-N 3.34Å; V467-T469 PolarHBondContact O-N 2.96Å; T469-L471 VanDerWaalsContact C-N 3.35Å; T469-L471 PolarHBondContact O-N 3.23Å; T469-T472 PolarHBondContact O-N 3.13Å; T469-D473 VanDerWaalsContact O-CG 3.24Å; T469-D473 PolarHBondContact O-N 3.35Å
470	A	95.7	Very high	88.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-40.2	-179.4	0	0	0	0	0	112.7	I159 V176 S466 V467 I474	I159-A470 HydrophobicContact CB-CB 4.49Å; I159-A470 HydrophobicContact CD1-CB 4.12Å; I159-A470 HydrophobicContact CG1-CB 4.16Å; V176-A470 HydrophobicContact CG2-CB 3.44Å; V176-A470 VanDerWaalsContact CG2-CB 3.44Å; S466-A470 VanDerWaalsContact O-CB 3.3Å; S466-A470 WeakPolarHBondContact O-CB 3.2Å; S466-A470 PolarHBondContact O-N 3.36Å; V467-A470 PolarHBondContact O-N 3.09Å; A470-I474 WeakPolarHBondContact O-CD1 3.29Å; A470-I474 WeakPolarHBondContact O-CG1 3.39Å
471	L	94.4	Very high	87	Confident	65 Å²	65	51.5 Å²	51.5	34%	0.34	25%	0.247	S	C	.	.	H	α-helix	trans	-70	-43.3	177.2	-68.7	177.7	0	0	0	111.8	V467 V468 T469 D473 I474 V475 I489 V493	V467-L471 HydrophobicContact CG1-CD1 3.96Å; V467-L471 HydrophobicContact CG1-CG 4.43Å; V467-L471 WeakPolarHBondContact O-CB 3.41Å; V467-L471 WeakPolarHBondContact O-CG 3.23Å; V467-L471 PolarHBondContact O-N 3.33Å; V468-L471 PolarHBondContact O-N 2.99Å; T469-L471 VanDerWaalsContact C-N 3.35Å; T469-L471 PolarHBondContact O-N 3.23Å; L471-D473 PolarHBondContact O-N 2.88Å; L471-I474 PolarHBondContact O-N 3.47Å; L471-I474 VanDerWaalsContact O-N 3.12Å; L471-V475 WeakPolarHBondContact O-CG2 3.4Å; L471-V475 PolarHBondContact O-N 2.8Å; L471-I489 HydrophobicContact CB-CG2 4.11Å; L471-I489 HydrophobicContact CD1-CG2 4.49Å; L471-V493 HydrophobicContact CD1-CG2 3.57Å
472	T	91.6	Very high	85.5	Confident	29 Å²	29	58.9 Å²	58.9	18%	0.178	28%	0.276	C	S	.	.	H	α-helix	trans	-57.5	-39.2	177.6	-58.6	0	0	0	0	111.3	V468 T469 I474 V475	V468-T472 VanDerWaalsContact O-CB 3.29Å; V468-T472 WeakPolarHBondContact O-CB 3.38Å; V468-T472 PolarHBondContact O-N 3.34Å; V468-T472 PolarHBondContact O-OG1 3.33Å; T469-T472 PolarHBondContact O-N 3.13Å; T472-I474 VanDerWaalsContact C-N 3.28Å; T472-I474 PolarHBondContact O-N 3.45Å; T472-V475 PolarHBondContact O-N 3.25Å
473	D	89.4	Confident	84.3	Confident	37 Å²	37	62.6 Å²	62.6	20%	0.198	31%	0.314	C	S	.	.	H	α-helix	trans	-71.2	-19.3	-179.4	-73.2	10.3	0	0	0	114.5	R90 R156 G157 S160 T469 L471	R90-D473 IonicContact CZ-OD1 2.78Å; R90-D473 IonicContact CZ-OD2 3.68Å; R90-D473 IonicContact NH1-OD1 2.88Å; R90-D473 PolarHBondContact NH1-OD1 3.25Å; R90-D473 VanDerWaalsContact NH1-OD1 3.17Å; R90-D473 IonicContact NH2-OD1 3.11Å; R90-D473 PolarHBondContact NH2-OD1 3.43Å; R90-D473 IonicContact NH2-OD2 2.83Å; R90-D473 PolarHBondContact NH2-OD2 2.94Å; R156-D473 WeakPolarHBondContact CA-OD2 3.42Å; G157-D473 PolarHBondContact N-OD2 3.48Å; S160-D473 WeakPolarHBondContact OG-CB 3.24Å; T469-D473 VanDerWaalsContact O-CG 3.24Å; T469-D473 PolarHBondContact O-N 3.35Å; L471-D473 PolarHBondContact O-N 2.88Å
474	I	88.2	Confident	83.6	Confident	78 Å²	78	68.9 Å²	68.9	40%	0.4	34%	0.341	S	S	.	.	H	α-helix	trans	-88.2	-27.1	178.1	-65.4	164.7	0	0	0	110.8	I159 A470 L471 T472	I159-I474 HydrophobicContact CB-CD1 4.08Å; I159-I474 HydrophobicContact CD1-CD1 3.67Å; I159-I474 HydrophobicContact CG1-CD1 4.47Å; I159-I474 HydrophobicContact CG2-CD1 3.87Å; I159-I474 HydrophobicContact CG2-CG1 4.45Å; A470-I474 WeakPolarHBondContact O-CD1 3.29Å; A470-I474 WeakPolarHBondContact O-CG1 3.39Å; L471-I474 PolarHBondContact O-N 3.47Å; L471-I474 VanDerWaalsContact O-N 3.12Å; T472-I474 VanDerWaalsContact C-N 3.28Å; T472-I474 PolarHBondContact O-N 3.45Å
475	V	85.8	Confident	83.1	Confident	44 Å²	44	70.5 Å²	70.5	27%	0.267	35%	0.349	S	S	.	.	S	Bend	trans	-63.7	130.3	-179.1	-178.8	0	0	0	0	109.6	L471 T472 K477 F479 L485 I489	L471-V475 WeakPolarHBondContact O-CG2 3.4Å; L471-V475 PolarHBondContact O-N 2.8Å; T472-V475 PolarHBondContact O-N 3.25Å; V475-K477 PolarHBondContact O-N 3.4Å; V475-F479 HydrophobicContact CG1-CB 3.69Å; V475-F479 HydrophobicContact CG1-CD2 4.05Å; V475-F479 HydrophobicContact CG1-CG 4.24Å; V475-L485 HydrophobicContact CB-CD2 4.29Å; V475-L485 HydrophobicContact CG1-CD1 4.37Å; V475-L485 HydrophobicContact CG1-CD2 3.86Å; V475-I489 HydrophobicContact CG2-CD1 3.95Å
476	P	75.6	Confident	82.7	Confident	79 Å²	79	72.2 Å²	72.2	51%	0.513	36%	0.356	S	S	.	.			trans	-53.7	134.6	178.4	-26.4	33.2	0	0	0	112.2	R478 F479	P476-R478 PolarHBondContact O-N 3.05Å; P476-F479 HydrophobicContact CB-CD2 4.19Å; P476-F479 HydrophobicContact CG-CD2 4.3Å; P476-F479 HydrophobicContact CG-CE2 4.46Å; P476-F479 PolarHBondContact O-N 3.47Å
477	K	69.9	Low	82.6	Confident	155 Å²	155	73.2 Å²	73.2	67%	0.674	36%	0.363	S	S	*	.	H	α-helix	trans	-49.3	-26.4	179.8	-70	-169.9	175	-168.4	0	114.4	V475 F479 S480	V475-K477 PolarHBondContact O-N 3.4Å; K477-F479 PolarHBondContact O-N 3Å; K477-S480 VanDerWaalsContact O-CB 3.25Å; K477-S480 WeakPolarHBondContact O-CB 3.2Å; K477-S480 PolarHBondContact O-N 2.99Å
478	R	70.2	Confident	82.4	Confident	190 Å²	190	76.3 Å²	76.3	72%	0.717	39%	0.385	S	S	*	.	H	α-helix	trans	-54.4	-40	173.4	-167.2	-178.9	-144.8	167.9	7.3	112.7	P476	P476-R478 PolarHBondContact O-N 3.05Å
479	F	72	Confident	82.3	Confident	105 Å²	105	77.3 Å²	77.3	46%	0.461	39%	0.39	S	S	.	.	H	α-helix	trans	-81.9	-21.7	176.2	-63.5	-74.3	0	0	0	112.4	V475 P476 K477 R481 Y482 L485	V475-F479 HydrophobicContact CG1-CB 3.69Å; V475-F479 HydrophobicContact CG1-CD2 4.05Å; V475-F479 HydrophobicContact CG1-CG 4.24Å; P476-F479 HydrophobicContact CB-CD2 4.19Å; P476-F479 HydrophobicContact CG-CD2 4.3Å; P476-F479 HydrophobicContact CG-CE2 4.46Å; P476-F479 PolarHBondContact O-N 3.47Å; K477-F479 PolarHBondContact O-N 3Å; F479-R481 PolarHBondContact O-N 3.37Å; F479-R481 VanDerWaalsContact O-N 3.12Å; F479-Y482 HydrophobicContact CB-CD2 4.42Å; F479-Y482 HydrophobicContact CD1-CD2 4.28Å; F479-Y482 HydrophobicContact CD1-CE2 4.03Å; F479-Y482 WeakPolarHBondContact O-CB 3.41Å; F479-Y482 VanDerWaalsContact O-CD2 3.32Å; F479-Y482 WeakPolarHBondContact O-CD2 3.33Å; F479-Y482 PolarHBondContact O-N 3.08Å; F479-L485 HydrophobicContact CB-CD2 4.22Å
480	S	66.3	Low	82.3	Confident	77 Å²	77	77.3 Å²	77.3	54%	0.538	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-18.2	175.9	-167.4	0	0	0	0	113.2	K477 Y482	K477-S480 VanDerWaalsContact O-CB 3.25Å; K477-S480 WeakPolarHBondContact O-CB 3.2Å; K477-S480 PolarHBondContact O-N 2.99Å; S480-Y482 PolarHBondContact O-N 3.43Å
481	R	60.7	Low	82.4	Confident	207 Å²	207	81.9 Å²	81.9	78%	0.781	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.7	172.2	-74.1	-170	-107.9	158.6	-12.6	113.7	F479 G483	F479-R481 PolarHBondContact O-N 3.37Å; F479-R481 VanDerWaalsContact O-N 3.12Å; R481-G483 PolarHBondContact O-N 3.42Å
482	Y	64.5	Low	82.5	Confident	158 Å²	158	81.8 Å²	81.8	62%	0.62	42%	0.422	S	S	*	.	S	Bend	trans	-78.6	108.6	174	-66	-77.6	0	0	0	109	F479 S480 H484 L485	F479-Y482 HydrophobicContact CB-CD2 4.42Å; F479-Y482 HydrophobicContact CD1-CD2 4.28Å; F479-Y482 HydrophobicContact CD1-CE2 4.03Å; F479-Y482 WeakPolarHBondContact O-CB 3.41Å; F479-Y482 VanDerWaalsContact O-CD2 3.32Å; F479-Y482 WeakPolarHBondContact O-CD2 3.33Å; F479-Y482 PolarHBondContact O-N 3.08Å; S480-Y482 PolarHBondContact O-N 3.43Å; Y482-H484 PolarHBondContact O-N 2.99Å; Y482-L485 WeakPolarHBondContact O-CB 3.29Å; Y482-L485 PolarHBondContact O-N 2.81Å
483	G	70.9	Confident	82.8	Confident	77 Å²	77	80.8 Å²	80.8	79%	0.794	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-14	-179	0	0	0	0	0	115.2	R481	R481-G483 PolarHBondContact O-N 3.42Å
484	H	81.8	Confident	83.2	Confident	141 Å²	141	79.2 Å²	79.2	65%	0.653	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-4.8	176.1	-60.9	-53.6	0	0	0	114.8	Y482 R486 S487 S488	Y482-H484 PolarHBondContact O-N 2.99Å; H484-R486 VanDerWaalsContact C-N 3.34Å; H484-R486 PolarHBondContact O-N 3.35Å; H484-S487 PolarHBondContact O-N 2.99Å; H484-S487 VanDerWaalsContact O-N 3.15Å; H484-S488 PolarHBondContact O-N 2.76Å; H484-S488 PolarHBondContact O-OG 3Å
485	L	86.8	Confident	83.7	Confident	33 Å²	33	77 Å²	77	17%	0.173	40%	0.404	C	S	.	.	H	α-helix	trans	-54	-49.4	-174.7	176.7	66	0	0	0	111.9	V475 F479 Y482 S487 S488 I489	V475-L485 HydrophobicContact CB-CD2 4.29Å; V475-L485 HydrophobicContact CG1-CD1 4.37Å; V475-L485 HydrophobicContact CG1-CD2 3.86Å; F479-L485 HydrophobicContact CB-CD2 4.22Å; Y482-L485 WeakPolarHBondContact O-CB 3.29Å; Y482-L485 PolarHBondContact O-N 2.81Å; L485-S487 PolarHBondContact O-N 3.32Å; L485-S488 PolarHBondContact O-N 3.34Å; L485-I489 HydrophobicContact CD1-CD1 3.97Å; L485-I489 HydrophobicContact CD1-CG1 4.24Å; L485-I489 HydrophobicContact CD2-CD1 4.46Å; L485-I489 HydrophobicContact CG-CD1 3.89Å; L485-I489 HydrophobicContact CG-CG1 4.49Å; L485-I489 WeakPolarHBondContact O-CG1 3.45Å; L485-I489 PolarHBondContact O-N 3.47Å
486	R	88.8	Confident	84.3	Confident	37 Å²	37	76.6 Å²	76.6	14%	0.14	40%	0.403	C	S	.	.	H	α-helix	trans	-57.8	-52.2	178.7	-176.8	-176.5	178.4	92.1	2.9	111	G295 Y372 E465 H484 S488 I489 T490	G295-R486 VanDerWaalsContact CA-CZ 3.47Å; Y372-R486 PolarHBondContact OH-NH1 2.58Å; Y372-R486 PolarHBondContact OH-NH2 3.28Å; E465-R486 IonicContact OE1-CZ 3.87Å; E465-R486 IonicContact OE1-NH1 3.89Å; E465-R486 IonicContact OE1-NH2 2.75Å; E465-R486 PolarHBondContact OE1-NH2 3.35Å; E465-R486 IonicContact OE2-NH2 3.71Å; E465-R486 PolarHBondContact OE2-NH2 3.17Å; H484-R486 VanDerWaalsContact C-N 3.34Å; H484-R486 PolarHBondContact O-N 3.35Å; R486-S488 PolarHBondContact O-N 2.93Å; R486-I489 PolarHBondContact O-N 3.26Å; R486-I489 VanDerWaalsContact O-N 3.12Å; R486-T490 WeakPolarHBondContact O-CB 3.49Å; R486-T490 PolarHBondContact O-N 3.17Å; R486-T490 PolarHBondContact O-OG1 3.39Å
487	S	92.6	Very high	85.3	Confident	21 Å²	21	72.8 Å²	72.8	15%	0.147	38%	0.379	C	S	.	.	H	α-helix	trans	-57.8	-36.3	179.3	-179	0	0	0	0	112.2	R293 H484 L485 L491	R293-S487 WeakPolarHBondContact CG-OG 3.37Å; H484-S487 PolarHBondContact O-N 2.99Å; H484-S487 VanDerWaalsContact O-N 3.15Å; L485-S487 PolarHBondContact O-N 3.32Å; S487-L491 WeakPolarHBondContact O-CB 3.41Å; S487-L491 PolarHBondContact O-N 3.2Å
488	S	93.6	Very high	86.7	Confident	69 Å²	69	66.1 Å²	66.1	48%	0.483	35%	0.351	S	S	.	.	H	α-helix	trans	-70.9	-41.3	176.3	-63.2	0	0	0	0	112.5	H484 L485 R486 L491 A492	H484-S488 PolarHBondContact O-N 2.76Å; H484-S488 PolarHBondContact O-OG 3Å; L485-S488 PolarHBondContact O-N 3.34Å; R486-S488 PolarHBondContact O-N 2.93Å; S488-L491 PolarHBondContact O-N 3.05Å; S488-A492 WeakPolarHBondContact O-CB 3.48Å; S488-A492 PolarHBondContact O-N 3.35Å
489	I	94.5	Very high	88	Confident	21 Å²	21	62.8 Å²	62.8	11%	0.108	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-46.8	173.9	-66.9	171	0	0	0	109.9	V468 L471 V475 L485 R486 L491 A492 V493	V468-I489 HydrophobicContact CG1-CG2 4.27Å; L471-I489 HydrophobicContact CB-CG2 4.11Å; L471-I489 HydrophobicContact CD1-CG2 4.49Å; V475-I489 HydrophobicContact CG2-CD1 3.95Å; L485-I489 HydrophobicContact CD1-CD1 3.97Å; L485-I489 HydrophobicContact CD1-CG1 4.24Å; L485-I489 HydrophobicContact CD2-CD1 4.46Å; L485-I489 HydrophobicContact CG-CD1 3.89Å; L485-I489 HydrophobicContact CG-CG1 4.49Å; L485-I489 WeakPolarHBondContact O-CG1 3.45Å; L485-I489 PolarHBondContact O-N 3.47Å; R486-I489 PolarHBondContact O-N 3.26Å; R486-I489 VanDerWaalsContact O-N 3.12Å; I489-L491 VanDerWaalsContact C-N 3.32Å; I489-L491 PolarHBondContact O-N 3.09Å; I489-A492 PolarHBondContact O-N 3.41Å; I489-A492 VanDerWaalsContact O-N 3.15Å; I489-V493 HydrophobicContact CG2-CG2 4.16Å; I489-V493 WeakPolarHBondContact O-CG2 3.35Å; I489-V493 PolarHBondContact O-N 2.79Å
490	T	96	Very high	89.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-56.1	-47	175.7	-55.2	0	0	0	0	110.7	F289 M292 R486 A492 V493 I494	F289-T490 HydrophobicContact CD2-CG2 4.01Å; F289-T490 HydrophobicContact CE2-CG2 4.36Å; M292-T490 HydrophobicContact CB-CG2 3.91Å; R486-T490 WeakPolarHBondContact O-CB 3.49Å; R486-T490 PolarHBondContact O-N 3.17Å; R486-T490 PolarHBondContact O-OG1 3.39Å; T490-A492 PolarHBondContact O-N 2.84Å; T490-V493 PolarHBondContact O-N 3.38Å; T490-I494 HydrophobicContact CG2-CD1 3.52Å; T490-I494 HydrophobicContact CG2-CG1 4.29Å; T490-I494 VanDerWaalsContact O-CB 3.3Å; T490-I494 WeakPolarHBondContact O-CB 3.3Å; T490-I494 VanDerWaalsContact O-CG1 3.23Å; T490-I494 WeakPolarHBondContact O-CG1 3.45Å; T490-I494 PolarHBondContact O-N 2.76Å
491	L	97.2	Very high	90.7	Very high	96 Å²	96	59.5 Å²	59.5	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-42.9	176.6	-176.9	61.9	0	0	0	112.1	F289 S487 S488 I489 G495	F289-L491 HydrophobicContact CD2-CB 4.26Å; F289-L491 HydrophobicContact CD2-CD1 4.12Å; F289-L491 HydrophobicContact CE1-CD1 4.46Å; F289-L491 HydrophobicContact CE2-CB 3.62Å; F289-L491 HydrophobicContact CE2-CD1 3.91Å; F289-L491 HydrophobicContact CE2-CG 4.33Å; F289-L491 HydrophobicContact CZ-CB 4.23Å; F289-L491 HydrophobicContact CZ-CD1 4.08Å; S487-L491 WeakPolarHBondContact O-CB 3.41Å; S487-L491 PolarHBondContact O-N 3.2Å; S488-L491 PolarHBondContact O-N 3.05Å; I489-L491 VanDerWaalsContact C-N 3.32Å; I489-L491 PolarHBondContact O-N 3.09Å; L491-G495 VanDerWaalsContact O-CA 3.3Å; L491-G495 WeakPolarHBondContact O-CA 3.33Å; L491-G495 PolarHBondContact O-N 2.93Å
492	A	96.8	Very high	92.4	Very high	63 Å²	63	51.9 Å²	51.9	52%	0.521	30%	0.296	S	S	.	.	H	α-helix	trans	-65.9	-44.5	179.8	0	0	0	0	0	112.1	S488 I489 T490 S496	S488-A492 WeakPolarHBondContact O-CB 3.48Å; S488-A492 PolarHBondContact O-N 3.35Å; I489-A492 PolarHBondContact O-N 3.41Å; I489-A492 VanDerWaalsContact O-N 3.15Å; T490-A492 PolarHBondContact O-N 2.84Å; A492-S496 WeakPolarHBondContact O-CB 3.38Å; A492-S496 PolarHBondContact O-N 3.11Å; A492-S496 PolarHBondContact O-OG 3.49Å
493	V	97.5	Very high	93.9	Very high	8 Å²	8	46.6 Å²	46.6	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-51	179.1	174	0	0	0	0	110.8	Y180 L464 V467 V468 L471 I489 T490 S496 A497	Y180-V493 HydrophobicContact CD2-CG1 4.18Å; Y180-V493 HydrophobicContact CE2-CG1 4.24Å; L464-V493 HydrophobicContact CD2-CG1 3.83Å; V467-V493 HydrophobicContact CB-CG1 4.18Å; V467-V493 HydrophobicContact CG1-CG1 3.72Å; V467-V493 HydrophobicContact CG1-CG2 4.13Å; V468-V493 HydrophobicContact CG2-CB 4.12Å; V468-V493 HydrophobicContact CG2-CG1 4.22Å; V468-V493 HydrophobicContact CG2-CG2 4.2Å; L471-V493 HydrophobicContact CD1-CG2 3.57Å; I489-V493 HydrophobicContact CG2-CG2 4.16Å; I489-V493 WeakPolarHBondContact O-CG2 3.35Å; I489-V493 PolarHBondContact O-N 2.79Å; T490-V493 PolarHBondContact O-N 3.38Å; V493-S496 PolarHBondContact O-OG 2.97Å; V493-A497 VanDerWaalsContact O-CB 3.31Å; V493-A497 WeakPolarHBondContact O-CB 3.26Å; V493-A497 PolarHBondContact O-N 2.88Å
494	I	97.9	Very high	95.2	Very high	4 Å²	4	43 Å²	43	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-70.6	-41.6	-177.7	-62.9	179.4	0	0	0	110.9	F285 L288 F289 M292 L464 T490 A497 C498	F285-I494 HydrophobicContact CB-CG2 4.12Å; F285-I494 HydrophobicContact CD1-CG2 3.65Å; F285-I494 WeakPolarHBondContact CD1-O 3.3Å; F285-I494 HydrophobicContact CG-CG2 4.39Å; F285-I494 WeakPolarHBondContact O-CG2 3.44Å; L288-I494 HydrophobicContact CB-CD1 4.47Å; F289-I494 HydrophobicContact CB-CD1 4.05Å; F289-I494 HydrophobicContact CB-CG2 4.15Å; F289-I494 HydrophobicContact CD2-CD1 4.37Å; M292-I494 HydrophobicContact CE-CD1 3.27Å; M292-I494 HydrophobicContact CE-CG1 3.97Å; L464-I494 HydrophobicContact CD1-CG1 4.22Å; L464-I494 HydrophobicContact CD2-CG1 4.47Å; T490-I494 HydrophobicContact CG2-CD1 3.52Å; T490-I494 HydrophobicContact CG2-CG1 4.29Å; T490-I494 VanDerWaalsContact O-CB 3.3Å; T490-I494 WeakPolarHBondContact O-CB 3.3Å; T490-I494 VanDerWaalsContact O-CG1 3.23Å; T490-I494 WeakPolarHBondContact O-CG1 3.45Å; T490-I494 PolarHBondContact O-N 2.76Å; I494-A497 PolarHBondContact O-N 3.17Å; I494-C498 WeakPolarHBondContact O-CB 3.48Å; I494-C498 PolarHBondContact O-N 3.33Å
495	G	97.9	Very high	95.9	Very high	31 Å²	31	36.3 Å²	36.3	32%	0.32	21%	0.211	S	C	.	.	H	α-helix	trans	-62.7	-43.3	177.2	0	0	0	0	0	112.1	L491 C498 L499	L491-G495 VanDerWaalsContact O-CA 3.3Å; L491-G495 WeakPolarHBondContact O-CA 3.33Å; L491-G495 PolarHBondContact O-N 2.93Å; G495-C498 WeakPolarHBondContact O-CB 3.11Å; G495-C498 PolarHBondContact O-N 2.82Å; G495-L499 WeakPolarHBondContact O-CG 3.41Å; G495-L499 PolarHBondContact O-N 3.22Å; G495-L499 VanDerWaalsContact O-N 3.09Å
496	S	98	Very high	96.4	Very high	36 Å²	36	35.5 Å²	35.5	25%	0.252	21%	0.208	S	C	.	.	H	α-helix	trans	-67.9	-41.6	174.7	60.4	0	0	0	0	112.5	Y180 A492 V493 C498 L499 F500	Y180-S496 VanDerWaalsContact OH-CB 3.24Å; Y180-S496 WeakPolarHBondContact OH-CB 3.46Å; Y180-S496 PolarHBondContact OH-OG 3.06Å; A492-S496 WeakPolarHBondContact O-CB 3.38Å; A492-S496 PolarHBondContact O-N 3.11Å; A492-S496 PolarHBondContact O-OG 3.49Å; V493-S496 PolarHBondContact O-OG 2.97Å; S496-C498 VanDerWaalsContact C-N 3.31Å; S496-C498 PolarHBondContact O-N 3.44Å; S496-L499 PolarHBondContact O-N 2.87Å; S496-L499 VanDerWaalsContact O-N 3.16Å; S496-F500 WeakPolarHBondContact O-CD2 3.46Å; S496-F500 PolarHBondContact O-N 3.34Å
497	A	97.9	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-39.9	174	0	0	0	0	0	111.8	Y180 F184 F285 L464 V493 I494 L499 F500 A501	Y180-A497 HydrophobicContact CE2-CB 4.04Å; F184-A497 HydrophobicContact CB-CB 4.24Å; F184-A497 WeakPolarHBondContact CB-O 3.5Å; F285-A497 HydrophobicContact CE1-CB 3.67Å; F285-A497 HydrophobicContact CZ-CB 4.32Å; L464-A497 HydrophobicContact CD2-CB 4.45Å; V493-A497 VanDerWaalsContact O-CB 3.31Å; V493-A497 WeakPolarHBondContact O-CB 3.26Å; V493-A497 PolarHBondContact O-N 2.88Å; I494-A497 PolarHBondContact O-N 3.17Å; A497-L499 VanDerWaalsContact C-N 3.35Å; A497-L499 PolarHBondContact O-N 3.42Å; A497-F500 PolarHBondContact O-N 2.99Å; A497-A501 WeakPolarHBondContact O-CB 3.5Å; A497-A501 PolarHBondContact O-N 3.44Å
498	C	98.3	Very high	96.9	Very high	15 Å²	15	32.8 Å²	32.8	10%	0.101	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-41.8	174	-174.6	0	0	0	0	112.2	F285 I494 G495 S496 A501 F502	F285-C498 HydrophobicContact CB-CB 3.82Å; F285-C498 HydrophobicContact CD1-CB 3.77Å; F285-C498 HydrophobicContact CD2-CB 3.88Å; F285-C498 HydrophobicContact CE1-CB 4.34Å; F285-C498 HydrophobicContact CE2-CB 4.42Å; F285-C498 HydrophobicContact CG-CB 3.54Å; I494-C498 WeakPolarHBondContact O-CB 3.48Å; I494-C498 PolarHBondContact O-N 3.33Å; G495-C498 WeakPolarHBondContact O-CB 3.11Å; G495-C498 PolarHBondContact O-N 2.82Å; S496-C498 VanDerWaalsContact C-N 3.31Å; S496-C498 PolarHBondContact O-N 3.44Å; C498-A501 WeakPolarHBondContact O-CB 3.32Å; C498-A501 PolarHBondContact O-N 2.65Å; C498-F502 VanDerWaalsContact O-CD1 3.3Å; C498-F502 WeakPolarHBondContact O-CD1 3.39Å
499	L	97.7	Very high	97.1	Very high	120 Å²	120	29.5 Å²	29.5	63%	0.628	17%	0.171	S	C	*	.	H	α-helix	trans	-65.7	-43	177.2	-70.6	171.9	0	0	0	111.6	G495 S496 A497 A501 F502	G495-L499 WeakPolarHBondContact O-CG 3.41Å; G495-L499 PolarHBondContact O-N 3.22Å; G495-L499 VanDerWaalsContact O-N 3.09Å; S496-L499 PolarHBondContact O-N 2.87Å; S496-L499 VanDerWaalsContact O-N 3.16Å; A497-L499 VanDerWaalsContact C-N 3.35Å; A497-L499 PolarHBondContact O-N 3.42Å; L499-A501 VanDerWaalsContact C-N 3.3Å; L499-A501 PolarHBondContact O-N 2.84Å; L499-F502 HydrophobicContact CD2-CE2 4.21Å; L499-F502 WeakPolarHBondContact O-CB 3.23Å; L499-F502 PolarHBondContact O-N 3.13Å
500	F	96.6	Very high	97.1	Very high	112 Å²	112	28.9 Å²	28.9	49%	0.491	17%	0.168	S	C	.	.	H	α-helix	trans	-65.1	-34.2	175	-76.5	-64.1	0	0	0	112.4	Y180 F184 S496 A497 F502 V503	Y180-F500 HydrophobicContact CE1-CD2 4.21Å; Y180-F500 HydrophobicContact CE1-CE2 4.3Å; Y180-F500 WeakPolarHBondContact OH-CD2 3.28Å; Y180-F500 WeakPolarHBondContact OH-CE2 3.32Å; F184-F500 HydrophobicContact CB-CB 4.11Å; F184-F500 HydrophobicContact CD1-CB 3.89Å; F184-F500 HydrophobicContact CD2-CB 4.13Å; F184-F500 HydrophobicContact CE1-CB 4.26Å; F184-F500 HydrophobicContact CG-CB 3.81Å; S496-F500 WeakPolarHBondContact O-CD2 3.46Å; S496-F500 PolarHBondContact O-N 3.34Å; A497-F500 PolarHBondContact O-N 2.99Å; F500-F502 PolarHBondContact O-N 3.24Å; F500-F502 VanDerWaalsContact O-N 3.12Å; F500-V503 VanDerWaalsContact O-CG1 3.26Å; F500-V503 WeakPolarHBondContact O-CG1 3.46Å; F500-V503 PolarHBondContact O-N 2.74Å
501	A	97.7	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.2	-22.5	176	0	0	0	0	0	112.9	F184 T281 F285 A497 C498 L499 V503 N504	F184-A501 HydrophobicContact CB-CB 4.17Å; F184-A501 WeakPolarHBondContact O-CB 3.28Å; T281-A501 HydrophobicContact CG2-CB 3.88Å; F285-A501 HydrophobicContact CE2-CB 3.89Å; F285-A501 HydrophobicContact CZ-CB 4.21Å; A497-A501 WeakPolarHBondContact O-CB 3.5Å; A497-A501 PolarHBondContact O-N 3.44Å; C498-A501 WeakPolarHBondContact O-CB 3.32Å; C498-A501 PolarHBondContact O-N 2.65Å; L499-A501 VanDerWaalsContact C-N 3.3Å; L499-A501 PolarHBondContact O-N 2.84Å; A501-V503 PolarHBondContact O-N 3.1Å; A501-V503 VanDerWaalsContact O-N 3.17Å; A501-N504 WeakPolarHBondContact O-CB 3.3Å; A501-N504 PolarHBondContact O-N 3.49Å
502	F	97.7	Very high	97	Very high	48 Å²	48	25 Å²	25	21%	0.211	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-63.2	-22.5	-179.7	-71.9	-1.9	0	0	0	114	I273 V278 T281 I282 C498 L499 F500 N504 V505	I273-F502 HydrophobicContact CD1-CB 4.22Å; I273-F502 HydrophobicContact CD1-CD2 4.38Å; I273-F502 HydrophobicContact CD1-CG 4.4Å; V278-F502 HydrophobicContact CG1-CE1 3.88Å; V278-F502 HydrophobicContact CG1-CE2 4.18Å; V278-F502 HydrophobicContact CG1-CZ 3.69Å; T281-F502 HydrophobicContact CG2-CD1 4.27Å; T281-F502 HydrophobicContact CG2-CE1 4.16Å; I282-F502 HydrophobicContact CD1-CZ 3.98Å; I282-F502 HydrophobicContact CG1-CE1 4.06Å; I282-F502 HydrophobicContact CG1-CZ 3.82Å; C498-F502 VanDerWaalsContact O-CD1 3.3Å; C498-F502 WeakPolarHBondContact O-CD1 3.39Å; L499-F502 HydrophobicContact CD2-CE2 4.21Å; L499-F502 WeakPolarHBondContact O-CB 3.23Å; L499-F502 PolarHBondContact O-N 3.13Å; F500-F502 PolarHBondContact O-N 3.24Å; F500-F502 VanDerWaalsContact O-N 3.12Å; F502-N504 PolarHBondContact O-N 2.94Å; F502-V505 HydrophobicContact CB-CG2 4.42Å; F502-V505 HydrophobicContact CD1-CG2 4.35Å; F502-V505 WeakPolarHBondContact O-CG2 3.32Å; F502-V505 PolarHBondContact O-N 3.31Å
503	V	96.2	Very high	97	Very high	47 Å²	47	22.1 Å²	22.1	29%	0.285	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-63	-33	173.7	76.2	0	0	0	0	111.6	L270 F500 A501 V505 T506 G509 V512 M516	L270-V503 HydrophobicContact CD1-CG2 4.06Å; F500-V503 VanDerWaalsContact O-CG1 3.26Å; F500-V503 WeakPolarHBondContact O-CG1 3.46Å; F500-V503 PolarHBondContact O-N 2.74Å; A501-V503 PolarHBondContact O-N 3.1Å; A501-V503 VanDerWaalsContact O-N 3.17Å; V503-V505 VanDerWaalsContact C-N 3.32Å; V503-V505 PolarHBondContact O-N 3.34Å; V503-T506 PolarHBondContact O-OG1 2.98Å; V503-G509 WeakPolarHBondContact O-CA 3.39Å; V503-V512 HydrophobicContact CG1-CG1 3.83Å; V503-V512 HydrophobicContact CG2-CG1 4.01Å; V503-V512 HydrophobicContact CG2-CG2 4.24Å; V503-M516 HydrophobicContact CG1-CE 3.93Å
504	N	97.1	Very high	96.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-82.2	-8.3	-178.3	-56.7	-45.9	0	0	0	113.2	Y185 T188 A501 F502 G509 F513	Y185-N504 WeakPolarHBondContact CA-ND2 3.42Å; T188-N504 HydrophobicContact CG2-CB 3.81Å; T188-N504 WeakPolarHBondContact OG1-CB 3.48Å; A501-N504 WeakPolarHBondContact O-CB 3.3Å; A501-N504 PolarHBondContact O-N 3.49Å; F502-N504 PolarHBondContact O-N 2.94Å; N504-G509 WeakPolarHBondContact O-CA 3.26Å; N504-F513 PolarHBondContact OD1-N 3.39Å
505	V	97.5	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-109.6	19.2	178.5	-51	0	0	0	0	113.1	T188 I273 R274 L277 V278 T281 F502 V503	T188-V505 HydrophobicContact CG2-CG1 4.02Å; I273-V505 HydrophobicContact CD1-CG2 4.47Å; I273-V505 HydrophobicContact CG1-CG2 4.18Å; R274-V505 WeakPolarHBondContact CB-O 3.18Å; R274-V505 VanDerWaalsContact CG-O 3.31Å; R274-V505 WeakPolarHBondContact CG-O 3.43Å; R274-V505 PolarHBondContact N-O 3.17Å; L277-V505 HydrophobicContact CB-CB 3.8Å; L277-V505 HydrophobicContact CB-CG1 4.04Å; L277-V505 HydrophobicContact CD1-CB 4.49Å; V278-V505 HydrophobicContact CG2-CG2 3.63Å; T281-V505 WeakPolarHBondContact OG1-CG1 3.22Å; F502-V505 HydrophobicContact CB-CG2 4.42Å; F502-V505 HydrophobicContact CD1-CG2 4.35Å; F502-V505 WeakPolarHBondContact O-CG2 3.32Å; F502-V505 PolarHBondContact O-N 3.31Å; V503-V505 VanDerWaalsContact C-N 3.32Å; V503-V505 PolarHBondContact O-N 3.34Å
506	T	97.8	Very high	96.5	Very high	17 Å²	17	23.1 Å²	23.1	10%	0.104	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-79	167	163.4	58.8	0	0	0	0	110.6	L270 P272 V503 G508 G509	L270-T506 HydrophobicContact CB-CG2 4.48Å; P272-T506 WeakPolarHBondContact O-CA 3.31Å; V503-T506 PolarHBondContact O-OG1 2.98Å; T506-G508 PolarHBondContact O-N 3.47Å; T506-G509 WeakPolarHBondContact O-CA 3.47Å; T506-G509 PolarHBondContact O-N 3.11Å; T506-G509 VanDerWaalsContact OG1-CA 3.29Å; T506-G509 WeakPolarHBondContact OG1-CA 3.08Å; T506-G509 PolarHBondContact OG1-N 2.93Å
507	S	96.3	Very high	96.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-40	174.2	-82.8	0	0	0	0	113.1	L259 K260 L261 Q263 L270 P272 G509	L259-S507 WeakPolarHBondContact O-CA 3.44Å; K260-S507 VanDerWaalsContact O-CB 3.26Å; K260-S507 WeakPolarHBondContact O-CB 3.31Å; K260-S507 PolarHBondContact O-OG 2.87Å; K260-S507 VanDerWaalsContact O-OG 3.07Å; L261-S507 WeakPolarHBondContact CA-O 3.39Å; L261-S507 VanDerWaalsContact CD1-O 3.26Å; L261-S507 WeakPolarHBondContact CD1-O 3.49Å; Q263-S507 PolarHBondContact OE1-OG 2.7Å; L270-S507 PolarHBondContact O-N 3Å; P272-S507 PolarHBondContact O-N 3.43Å; S507-G509 VanDerWaalsContact C-N 3.32Å
508	G	95.4	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	8.4	173.2	0	0	0	0	0	114.1	S264 L270 T506 M510 Y511	S264-G508 VanDerWaalsContact CB-CA 3.46Å; S264-G508 WeakPolarHBondContact OG-CA 3.2Å; L270-G508 PolarHBondContact O-N 2.97Å; T506-G508 PolarHBondContact O-N 3.47Å; G508-M510 PolarHBondContact O-N 3.29Å; G508-Y511 WeakPolarHBondContact O-CB 3.47Å; G508-Y511 WeakPolarHBondContact O-CD2 3.49Å; G508-Y511 PolarHBondContact O-N 3.13Å
509	G	96.8	Very high	95.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-26.2	-174.2	0	0	0	0	0	113.3	V503 N504 T506 S507 Y511 V512 F513	V503-G509 WeakPolarHBondContact O-CA 3.39Å; N504-G509 WeakPolarHBondContact O-CA 3.26Å; T506-G509 WeakPolarHBondContact O-CA 3.47Å; T506-G509 PolarHBondContact O-N 3.11Å; T506-G509 VanDerWaalsContact OG1-CA 3.29Å; T506-G509 WeakPolarHBondContact OG1-CA 3.08Å; T506-G509 PolarHBondContact OG1-N 2.93Å; S507-G509 VanDerWaalsContact C-N 3.32Å; G509-Y511 VanDerWaalsContact C-N 3.27Å; G509-Y511 PolarHBondContact O-N 3.13Å; G509-V512 PolarHBondContact O-N 2.72Å; G509-F513 WeakPolarHBondContact O-CB 3.45Å; G509-F513 PolarHBondContact O-N 3.48Å
510	M	95	Very high	95.2	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.039	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-33.9	173.9	-170.8	59.1	-169.5	0	0	112.4	W192 L259 L261 P424 G508 F513 N514 Y589	W192-M510 HydrophobicContact CH2-SD 3.55Å; W192-M510 VanDerWaalsContact CH2-SD 3.55Å; W192-M510 HydrophobicContact CZ2-SD 4.28Å; W192-M510 HydrophobicContact CZ3-SD 4.21Å; L259-M510 HydrophobicContact CD1-CB 4.08Å; L259-M510 HydrophobicContact CD1-CG 4.27Å; L261-M510 HydrophobicContact CD1-CB 4.29Å; P424-M510 HydrophobicContact CB-CE 3.96Å; P424-M510 HydrophobicContact CG-CE 3.86Å; G508-M510 PolarHBondContact O-N 3.29Å; M510-F513 HydrophobicContact CE-CD1 4.29Å; M510-F513 HydrophobicContact SD-CD1 4.13Å; M510-N514 VanDerWaalsContact O-CB 3.31Å; M510-N514 WeakPolarHBondContact O-CB 3.45Å; M510-N514 PolarHBondContact O-N 3.3Å; M510-Y589 HydrophobicContact CE-CD2 4.09Å; M510-Y589 HydrophobicContact CE-CE2 3.5Å; M510-Y589 VanDerWaalsContact CE-CE2 3.5Å; M510-Y589 HydrophobicContact CG-CD2 3.98Å; M510-Y589 HydrophobicContact CG-CE2 3.39Å; M510-Y589 HydrophobicContact SD-CE2 4.3Å
511	Y	95.4	Very high	94.7	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-68.1	-39.9	175.7	-52.3	-53.1	0	0	0	111.4	L261 G508 G509 L515 Y589 Y591 Y617 Y619	L261-Y511 HydrophobicContact CD1-CD2 4.43Å; L261-Y511 HydrophobicContact CD1-CE1 4.12Å; L261-Y511 HydrophobicContact CD1-CE2 3.76Å; G508-Y511 WeakPolarHBondContact O-CB 3.47Å; G508-Y511 WeakPolarHBondContact O-CD2 3.49Å; G508-Y511 PolarHBondContact O-N 3.13Å; G509-Y511 VanDerWaalsContact C-N 3.27Å; G509-Y511 PolarHBondContact O-N 3.13Å; Y511-L515 WeakPolarHBondContact O-CB 3.18Å; Y511-L515 PolarHBondContact O-N 3.28Å; Y511-Y589 HydrophobicContact CD1-CD1 4.37Å; Y511-Y589 HydrophobicContact CD1-CG 4.36Å; Y511-Y589 AromaticContact CE1-CD1 3.9Å; Y511-Y589 HydrophobicContact CE1-CD1 3.9Å; Y511-Y589 HydrophobicContact CE1-CG 4.33Å; Y511-Y591 HydrophobicContact CE1-CE1 4.29Å; Y511-Y591 WeakPolarHBondContact OH-CE1 3.36Å; Y511-Y591 PolarHBondContact OH-OH 3.01Å; Y511-Y617 AromaticContact CD1-CD1 3.55Å; Y511-Y617 HydrophobicContact CD1-CD1 3.55Å; Y511-Y617 HydrophobicContact CD1-CE1 4.03Å; Y511-Y617 AromaticContact CD1-CG 3.9Å; Y511-Y617 HydrophobicContact CD1-CG 3.9Å; Y511-Y617 AromaticContact CE1-CD1 3.84Å; Y511-Y617 HydrophobicContact CE1-CD1 3.84Å; Y511-Y617 HydrophobicContact CE1-CD2 4.21Å; Y511-Y617 AromaticContact CE1-CG 3.67Å; Y511-Y617 HydrophobicContact CE1-CG 3.67Å; Y511-Y617 HydrophobicContact CG-CD1 4.15Å; Y511-Y617 HydrophobicContact CG-CE1 4.15Å; Y511-Y619 VanDerWaalsContact CA-OH 3.23Å; Y511-Y619 WeakPolarHBondContact CA-OH 3.47Å; Y511-Y619 WeakPolarHBondContact O-CE1 3.34Å; Y511-Y619 PolarHBondContact O-OH 3.49Å
512	V	96	Very high	94.2	Very high	13 Å²	13	19.3 Å²	19.3	8%	0.079	10%	0.099	C	C	.	.	H	α-helix	trans	-67.8	-46.3	177.4	-175.2	0	0	0	0	110.4	L267 L270 V503 G509 N514 L515 M516	L267-V512 HydrophobicContact CD2-CG2 3.81Å; L270-V512 HydrophobicContact CD1-CG2 4.15Å; L270-V512 HydrophobicContact CD2-CG2 3.55Å; V503-V512 HydrophobicContact CG1-CG1 3.83Å; V503-V512 HydrophobicContact CG2-CG1 4.01Å; V503-V512 HydrophobicContact CG2-CG2 4.24Å; G509-V512 PolarHBondContact O-N 2.72Å; V512-N514 PolarHBondContact O-N 3.47Å; V512-L515 WeakPolarHBondContact O-CB 3.45Å; V512-L515 PolarHBondContact O-N 3.14Å; V512-M516 HydrophobicContact CG1-CE 3.52Å; V512-M516 HydrophobicContact CG1-CG 4.34Å; V512-M516 HydrophobicContact CG1-SD 3.9Å; V512-M516 WeakPolarHBondContact O-CB 3.43Å; V512-M516 VanDerWaalsContact O-CG 3.26Å; V512-M516 WeakPolarHBondContact O-CG 3.33Å; V512-M516 PolarHBondContact O-N 3.48Å
513	F	95.6	Very high	93.9	Very high	3 Å²	3	17.3 Å²	17.3	1%	0.013	9%	0.091	C	C	.	.	H	α-helix	trans	-54.9	-49.8	175.6	173.3	-88.5	0	0	0	111.6	Y185 I189 W192 P424 N504 G509 M510 L515 M516 D517	Y185-F513 HydrophobicContact CD2-CD2 4.17Å; Y185-F513 AromaticContact CD2-CE2 3.89Å; Y185-F513 HydrophobicContact CD2-CE2 3.89Å; Y185-F513 WeakPolarHBondContact O-CE2 3.29Å; I189-F513 HydrophobicContact CD1-CE2 4.03Å; I189-F513 HydrophobicContact CD1-CZ 3.85Å; I189-F513 HydrophobicContact CG1-CE2 3.77Å; I189-F513 HydrophobicContact CG1-CZ 3.77Å; W192-F513 HydrophobicContact CH2-CB 4.41Å; W192-F513 HydrophobicContact CH2-CD1 4.15Å; W192-F513 HydrophobicContact CH2-CD2 4.17Å; W192-F513 AromaticContact CH2-CG 3.96Å; W192-F513 HydrophobicContact CH2-CG 3.96Å; P424-F513 HydrophobicContact CG-CE1 3.89Å; P424-F513 HydrophobicContact CG-CZ 4.41Å; N504-F513 PolarHBondContact OD1-N 3.39Å; G509-F513 WeakPolarHBondContact O-CB 3.45Å; G509-F513 PolarHBondContact O-N 3.48Å; M510-F513 HydrophobicContact CE-CD1 4.29Å; M510-F513 HydrophobicContact SD-CD1 4.13Å; F513-L515 PolarHBondContact O-N 2.85Å; F513-M516 PolarHBondContact O-N 2.89Å; F513-D517 HydrophobicContact CE1-CB 4.45Å; F513-D517 WeakPolarHBondContact O-CB 3.45Å; F513-D517 PolarHBondContact O-N 3.13Å
514	N	93.6	Very high	93.8	Very high	39 Å²	39	15 Å²	15	21%	0.209	8%	0.077	C	C	.	.	H	α-helix	trans	-67.6	-34.6	-178.3	-173.6	60.8	0	0	0	112.6	M510 V512 R518 Q588 Y619	M510-N514 VanDerWaalsContact O-CB 3.31Å; M510-N514 WeakPolarHBondContact O-CB 3.45Å; M510-N514 PolarHBondContact O-N 3.3Å; V512-N514 PolarHBondContact O-N 3.47Å; N514-R518 WeakPolarHBondContact O-CB 3.08Å; N514-R518 PolarHBondContact O-N 2.84Å; N514-Q588 PolarHBondContact ND2-O 3.14Å; N514-Y619 WeakPolarHBondContact CB-OH 3.47Å; N514-Y619 PolarHBondContact ND2-OH 3.33Å; N514-Y619 VanDerWaalsContact ND2-OH 3.14Å
515	L	94.9	Very high	93.7	Very high	7 Å²	7	15 Å²	15	4%	0.037	8%	0.077	C	C	.	.	H	α-helix	trans	-63.1	-45.6	170.1	176.9	69.4	0	0	0	111.3	L267 Y511 V512 F513 Y519 L587 Y619 S623 L626	L267-L515 HydrophobicContact CD1-CD2 4.29Å; Y511-L515 WeakPolarHBondContact O-CB 3.18Å; Y511-L515 PolarHBondContact O-N 3.28Å; V512-L515 WeakPolarHBondContact O-CB 3.45Å; V512-L515 PolarHBondContact O-N 3.14Å; F513-L515 PolarHBondContact O-N 2.85Å; L515-Y519 HydrophobicContact CD1-CD2 3.74Å; L515-Y519 HydrophobicContact CD1-CE2 3.85Å; L515-Y519 WeakPolarHBondContact O-CD2 3Å; L515-Y519 PolarHBondContact O-N 3.42Å; L515-L587 HydrophobicContact CD1-CD2 3.51Å; L515-Y619 HydrophobicContact CB-CE1 4.16Å; L515-S623 WeakPolarHBondContact CD1-O 3.32Å; L515-L626 HydrophobicContact CD2-CD2 4.16Å
516	M	94.4	Very high	93.6	Very high	17 Å²	17	15.1 Å²	15.1	8%	0.084	8%	0.077	C	C	.	.	H	α-helix	trans	-65.4	-48.3	-178.7	-72.8	177.6	171.3	0	0	112	F184 Y185 V503 V512 F513 R518 Y519 M520 M630	F184-M516 HydrophobicContact CD2-SD 4.42Å; F184-M516 HydrophobicContact CE2-CE 3.79Å; F184-M516 HydrophobicContact CE2-SD 3.66Å; F184-M516 HydrophobicContact CZ-CE 4.45Å; Y185-M516 HydrophobicContact CD1-CB 4Å; Y185-M516 HydrophobicContact CG-CB 4.01Å; V503-M516 HydrophobicContact CG1-CE 3.93Å; V512-M516 HydrophobicContact CG1-CE 3.52Å; V512-M516 HydrophobicContact CG1-CG 4.34Å; V512-M516 HydrophobicContact CG1-SD 3.9Å; V512-M516 WeakPolarHBondContact O-CB 3.43Å; V512-M516 VanDerWaalsContact O-CG 3.26Å; V512-M516 WeakPolarHBondContact O-CG 3.33Å; V512-M516 PolarHBondContact O-N 3.48Å; F513-M516 PolarHBondContact O-N 2.89Å; M516-R518 VanDerWaalsContact C-N 3.27Å; M516-R518 PolarHBondContact O-N 3.25Å; M516-Y519 PolarHBondContact O-N 3.17Å; M516-M520 HydrophobicContact CB-CG 4.14Å; M516-M520 HydrophobicContact CB-SD 3.66Å; M516-M520 HydrophobicContact CG-CG 4.36Å; M516-M520 HydrophobicContact CG-SD 3.56Å; M516-M520 VanDerWaalsContact CG-SD 3.56Å; M516-M520 WeakPolarHBondContact O-CB 3.11Å; M516-M520 WeakPolarHBondContact O-CG 3.43Å; M516-M520 PolarHBondContact O-N 3.45Å; M516-M520 HydrophobicContact SD-SD 4.19Å; M516-M630 HydrophobicContact CE-CE 4Å; M516-M630 HydrophobicContact CG-CE 3.85Å
517	D	91.3	Very high	93.5	Very high	60 Å²	60	15.9 Å²	15.9	32%	0.321	8%	0.081	S	C	.	.	I	π-helix	trans	-59.3	-39	179.2	-170.5	58	0	0	0	111.8	Y185 F513	Y185-D517 HydrophobicContact CD2-CB 4.48Å; Y185-D517 HydrophobicContact CE2-CB 3.97Å; Y185-D517 WeakPolarHBondContact CE2-OD1 2.9Å; F513-D517 HydrophobicContact CE1-CB 4.45Å; F513-D517 WeakPolarHBondContact O-CB 3.45Å; F513-D517 PolarHBondContact O-N 3.13Å
518	R	91.5	Very high	93.5	Very high	87 Å²	87	16 Å²	16	33%	0.328	8%	0.081	S	C	.	.	I	π-helix	trans	-64.7	-43.6	177.4	176	62.4	87.4	166.2	12.9	113.5	N514 M516 D583 T585 L587	N514-R518 WeakPolarHBondContact O-CB 3.08Å; N514-R518 PolarHBondContact O-N 2.84Å; M516-R518 VanDerWaalsContact C-N 3.27Å; M516-R518 PolarHBondContact O-N 3.25Å; R518-D583 IonicContact NH1-OD2 3.01Å; R518-D583 PolarHBondContact NH1-OD2 2.86Å; R518-T585 PolarHBondContact NH1-OG1 2.67Å; R518-T585 VanDerWaalsContact NH1-OG1 3.11Å; R518-T585 PolarHBondContact NH2-O 3.12Å; R518-T585 PolarHBondContact NH2-OG1 2.9Å; R518-L587 HydrophobicContact CB-CD1 3.93Å; R518-L587 HydrophobicContact CG-CD1 4.05Å
519	Y	92	Very high	93.5	Very high	23 Å²	23	16 Å²	16	9%	0.09	8%	0.081	C	C	.	.	I	π-helix	trans	-112.2	-32.1	-165.2	-69.3	-77.5	0	0	0	115.9	L515 M516 L587 G627 W628 S631	L515-Y519 HydrophobicContact CD1-CD2 3.74Å; L515-Y519 HydrophobicContact CD1-CE2 3.85Å; L515-Y519 WeakPolarHBondContact O-CD2 3Å; L515-Y519 PolarHBondContact O-N 3.42Å; M516-Y519 PolarHBondContact O-N 3.17Å; Y519-L587 HydrophobicContact CE2-CD1 4.27Å; Y519-L587 HydrophobicContact CE2-CD2 4.04Å; Y519-G627 WeakPolarHBondContact CB-O 3.42Å; Y519-W628 HydrophobicContact CD1-CD2 4.05Å; Y519-W628 HydrophobicContact CD1-CE3 4.42Å; Y519-W628 HydrophobicContact CD1-CG 4.35Å; Y519-W628 HydrophobicContact CD1-CZ2 4.37Å; Y519-W628 AromaticContact CE1-CD1 3.98Å; Y519-W628 HydrophobicContact CE1-CD2 4.06Å; Y519-W628 AromaticContact CE1-CE2 3.61Å; Y519-W628 HydrophobicContact CE1-CG 4.28Å; Y519-W628 AromaticContact CE1-CZ2 3.97Å; Y519-W628 HydrophobicContact CE1-CZ2 3.97Å; Y519-W628 AromaticContact CE1-NE1 3.58Å; Y519-S631 WeakPolarHBondContact O-CB 3.4Å; Y519-S631 PolarHBondContact O-OG 3.17Å
520	M	90.7	Very high	93.6	Very high	12 Å²	12	17 Å²	17	6%	0.059	9%	0.087	C	C	.	.	I	π-helix	trans	-71.7	-45.8	-166.8	-65	-169.9	89.5	0	0	113.3	T181 F184 Y185 M516 M630	T181-M520 HydrophobicContact CG2-CE 3.25Å; F184-M520 HydrophobicContact CE2-SD 4.49Å; F184-M520 HydrophobicContact CZ-CE 3.96Å; F184-M520 HydrophobicContact CZ-SD 4.28Å; Y185-M520 HydrophobicContact CD1-SD 4.14Å; Y185-M520 HydrophobicContact CE1-CB 4.27Å; Y185-M520 HydrophobicContact CE1-SD 4.37Å; M516-M520 HydrophobicContact CB-CG 4.14Å; M516-M520 HydrophobicContact CB-SD 3.66Å; M516-M520 HydrophobicContact CG-CG 4.36Å; M516-M520 HydrophobicContact CG-SD 3.56Å; M516-M520 VanDerWaalsContact CG-SD 3.56Å; M516-M520 WeakPolarHBondContact O-CB 3.11Å; M516-M520 WeakPolarHBondContact O-CG 3.43Å; M516-M520 PolarHBondContact O-N 3.45Å; M516-M520 HydrophobicContact SD-SD 4.19Å; M520-M630 HydrophobicContact CE-CB 4.41Å; M520-M630 HydrophobicContact CE-CE 3.5Å; M520-M630 HydrophobicContact CG-CB 4.24Å; M520-M630 HydrophobicContact CG-CE 3.75Å; M520-M630 HydrophobicContact SD-CE 3.42Å; M520-M630 WeakPolarHBondContact SD-CE 3.33Å
521	A	86.8	Confident	93.7	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.033	10%	0.101	C	C	.	.	I	π-helix	trans	-99.3	-47.7	-172.6	0	0	0	0	0	112.7	I178 V182 Y185 A524 L525	I178-A521 HydrophobicContact CG2-CB 4.47Å; V182-A521 HydrophobicContact CG2-CB 3.45Å; V182-A521 VanDerWaalsContact CG2-CB 3.45Å; Y185-A521 WeakPolarHBondContact OH-CB 3.34Å; A521-A524 PolarHBondContact O-N 3.35Å; A521-L525 WeakPolarHBondContact O-CB 3.48Å; A521-L525 PolarHBondContact O-N 3.24Å
522	G	87	Confident	93.8	Very high	17 Å²	17	20.1 Å²	20.1	18%	0.175	10%	0.1	C	C	.	.	H	α-helix	trans	-32	-88.2	-175.1	0	0	0	0	0	115.3	F357 A524 L526	F357-G522 VanDerWaalsContact CZ-CA 3.48Å; F357-G522 WeakPolarHBondContact CZ-O 3.37Å; G522-A524 PolarHBondContact O-N 2.94Å; G522-L526 WeakPolarHBondContact O-CG 3.36Å
523	T	91.7	Very high	93.8	Very high	6 Å²	6	19.5 Å²	19.5	4%	0.037	10%	0.097	C	C	.	.	H	α-helix	trans	-69.4	-34.1	-175.6	-42.4	0	0	0	0	112.5	L526 I527 S580 L581	T523-L526 PolarHBondContact O-N 3.17Å; T523-I527 HydrophobicContact CG2-CD1 3.96Å; T523-I527 HydrophobicContact CG2-CG1 4.46Å; T523-I527 WeakPolarHBondContact O-CG1 3.3Å; T523-I527 PolarHBondContact O-N 3.26Å; T523-S580 PolarHBondContact OG1-OG 3.33Å; T523-L581 HydrophobicContact CG2-CD2 3.94Å; T523-L581 HydrophobicContact CG2-CG 4.3Å
524	A	93.6	Very high	93.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-42.4	-177.8	0	0	0	0	0	112.3	I178 A521 G522 L526 I527 G528 I635	I178-A524 HydrophobicContact CD1-CB 3.8Å; I178-A524 HydrophobicContact CG1-CB 4.05Å; A521-A524 PolarHBondContact O-N 3.35Å; G522-A524 PolarHBondContact O-N 2.94Å; A524-L526 VanDerWaalsContact C-N 3.29Å; A524-L526 PolarHBondContact O-N 3.45Å; A524-I527 PolarHBondContact O-N 3.02Å; A524-G528 PolarHBondContact O-N 3.42Å; A524-I635 HydrophobicContact CB-CD1 3.92Å; A524-I635 HydrophobicContact CB-CG1 3.79Å; A524-I635 VanDerWaalsContact O-CD1 3.25Å; A524-I635 WeakPolarHBondContact O-CD1 3.46Å
525	L	94.3	Very high	94	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-60.5	-41.6	176	179	147.6	0	0	0	111.5	F357 F363 A521 G528 S529	F357-L525 HydrophobicContact CD1-CD1 4.49Å; F357-L525 HydrophobicContact CE1-CB 4.4Å; F357-L525 HydrophobicContact CE1-CD1 4.01Å; F357-L525 HydrophobicContact CE1-CD2 4.39Å; F357-L525 HydrophobicContact CZ-CB 4.35Å; F357-L525 HydrophobicContact CZ-CD2 4.32Å; F363-L525 HydrophobicContact CD1-CD1 4Å; F363-L525 HydrophobicContact CD2-CD1 3.35Å; F363-L525 HydrophobicContact CE1-CD1 3.72Å; F363-L525 HydrophobicContact CE2-CD1 3.03Å; F363-L525 HydrophobicContact CG-CD1 3.84Å; F363-L525 HydrophobicContact CZ-CD1 3.24Å; A521-L525 WeakPolarHBondContact O-CB 3.48Å; A521-L525 PolarHBondContact O-N 3.24Å; L525-G528 PolarHBondContact O-N 3.28Å; L525-S529 VanDerWaalsContact O-CB 3.31Å; L525-S529 WeakPolarHBondContact O-CB 3.01Å; L525-S529 PolarHBondContact O-N 3.08Å; L525-S529 PolarHBondContact O-OG 2.99Å
526	L	95	Very high	94.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-65.7	-45.5	-179.8	-59	177.9	0	0	0	111.9	G522 T523 A524 S529 L530 L573 M576 I577	G522-L526 WeakPolarHBondContact O-CG 3.36Å; T523-L526 PolarHBondContact O-N 3.17Å; A524-L526 VanDerWaalsContact C-N 3.29Å; A524-L526 PolarHBondContact O-N 3.45Å; L526-S529 PolarHBondContact O-N 3.46Å; L526-L530 WeakPolarHBondContact O-CB 3.23Å; L526-L530 PolarHBondContact O-N 3.11Å; L526-L573 HydrophobicContact CD2-CD2 4.2Å; L526-M576 HydrophobicContact CD1-CB 3.85Å; L526-M576 HydrophobicContact CD1-CE 4.4Å; L526-M576 HydrophobicContact CD2-CB 4.4Å; L526-M576 HydrophobicContact CD2-CE 3.18Å; L526-M576 HydrophobicContact CD2-SD 4.33Å; L526-M576 HydrophobicContact CG-CE 4.4Å; L526-I577 HydrophobicContact CB-CD1 4.27Å; L526-I577 HydrophobicContact CB-CG1 3.57Å; L526-I577 HydrophobicContact CD1-CG1 4.45Å
527	I	95.8	Very high	94.1	Very high	34 Å²	34	18.2 Å²	18.2	17%	0.174	9%	0.091	C	C	.	.	H	α-helix	trans	-63.4	-46.4	177.2	-66.7	168.7	0	0	0	110.3	T523 A524 S529 L530 F531 I577 I635 I638	T523-I527 HydrophobicContact CG2-CD1 3.96Å; T523-I527 HydrophobicContact CG2-CG1 4.46Å; T523-I527 WeakPolarHBondContact O-CG1 3.3Å; T523-I527 PolarHBondContact O-N 3.26Å; A524-I527 PolarHBondContact O-N 3.02Å; I527-S529 VanDerWaalsContact C-N 3.32Å; I527-S529 PolarHBondContact O-N 3.44Å; I527-L530 WeakPolarHBondContact O-CB 3.38Å; I527-L530 PolarHBondContact O-N 3.38Å; I527-F531 HydrophobicContact CG2-CD2 3.79Å; I527-F531 HydrophobicContact CG2-CE2 3.77Å; I527-F531 VanDerWaalsContact O-CD2 3.31Å; I527-F531 WeakPolarHBondContact O-CD2 3.33Å; I527-F531 PolarHBondContact O-N 3.14Å; I527-I577 HydrophobicContact CB-CD1 4.49Å; I527-I577 HydrophobicContact CG1-CD1 3.88Å; I527-I577 HydrophobicContact CG1-CG1 4.06Å; I527-I577 HydrophobicContact CG1-CG2 4.2Å; I527-I635 HydrophobicContact CB-CD1 3.78Å; I527-I635 HydrophobicContact CB-CG1 4.38Å; I527-I635 HydrophobicContact CD1-CG1 4.35Å; I527-I635 HydrophobicContact CD1-CG2 4.43Å; I527-I635 HydrophobicContact CG2-CD1 3.77Å; I527-I635 HydrophobicContact CG2-CG1 4.36Å; I527-I635 HydrophobicContact CG2-CG2 3.93Å; I527-I638 HydrophobicContact CG2-CD1 4.46Å
528	G	96	Very high	94.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-57.8	-44.9	176.4	0	0	0	0	0	112.3	A524 L525 L530 F531 Q532	A524-G528 PolarHBondContact O-N 3.42Å; L525-G528 PolarHBondContact O-N 3.28Å; G528-L530 PolarHBondContact O-N 3.18Å; G528-F531 PolarHBondContact O-N 3.39Å; G528-Q532 WeakPolarHBondContact O-CB 3.35Å; G528-Q532 PolarHBondContact O-N 3.47Å
529	S	96.7	Very high	94.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.6	-38.8	177	-59.8	0	0	0	0	112.6	G362 L525 L526 I527 Q532 V533	G362-S529 WeakPolarHBondContact CA-OG 3.35Å; L525-S529 VanDerWaalsContact O-CB 3.31Å; L525-S529 WeakPolarHBondContact O-CB 3.01Å; L525-S529 PolarHBondContact O-N 3.08Å; L525-S529 PolarHBondContact O-OG 2.99Å; L526-S529 PolarHBondContact O-N 3.46Å; I527-S529 VanDerWaalsContact C-N 3.32Å; I527-S529 PolarHBondContact O-N 3.44Å; S529-Q532 PolarHBondContact O-N 3.07Å; S529-V533 PolarHBondContact O-N 3.41Å
530	L	97.5	Very high	94.3	Very high	22 Å²	22	21.7 Å²	21.7	12%	0.115	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-49.5	177.4	176.4	63.9	0	0	0	110.5	L526 I527 G528 Q532 V533 I534 P570 L573 I577	L526-L530 WeakPolarHBondContact O-CB 3.23Å; L526-L530 PolarHBondContact O-N 3.11Å; I527-L530 WeakPolarHBondContact O-CB 3.38Å; I527-L530 PolarHBondContact O-N 3.38Å; G528-L530 PolarHBondContact O-N 3.18Å; L530-Q532 VanDerWaalsContact C-N 3.3Å; L530-Q532 PolarHBondContact O-N 3.27Å; L530-V533 VanDerWaalsContact O-CG1 3.28Å; L530-V533 WeakPolarHBondContact O-CG1 3.43Å; L530-V533 PolarHBondContact O-N 3.08Å; L530-I534 HydrophobicContact CD1-CD1 3.72Å; L530-I534 HydrophobicContact CD1-CG1 4.28Å; L530-I534 HydrophobicContact CG-CD1 3.85Å; L530-I534 WeakPolarHBondContact O-CB 3.37Å; L530-I534 VanDerWaalsContact O-CG1 3.29Å; L530-I534 WeakPolarHBondContact O-CG1 3.39Å; L530-I534 PolarHBondContact O-N 2.93Å; L530-P570 HydrophobicContact CD1-CB 4.08Å; L530-L573 HydrophobicContact CB-CB 4.17Å; L530-L573 HydrophobicContact CB-CD1 4.31Å; L530-L573 HydrophobicContact CD1-CB 4.08Å; L530-I577 HydrophobicContact CB-CD1 4.08Å; L530-I577 HydrophobicContact CD2-CD1 3.68Å; L530-I577 HydrophobicContact CG-CD1 4.49Å
531	F	97.6	Very high	94.3	Very high	76 Å²	76	22 Å²	22	33%	0.333	11%	0.109	S	C	.	.	H	α-helix	trans	-65	-35.5	177.5	-81	-72.9	0	0	0	112.1	F168 V171 I527 G528 A535 I638	F168-F531 HydrophobicContact CE1-CD1 4.25Å; V171-F531 HydrophobicContact CG2-CB 3.72Å; I527-F531 HydrophobicContact CG2-CD2 3.79Å; I527-F531 HydrophobicContact CG2-CE2 3.77Å; I527-F531 VanDerWaalsContact O-CD2 3.31Å; I527-F531 WeakPolarHBondContact O-CD2 3.33Å; I527-F531 PolarHBondContact O-N 3.14Å; G528-F531 PolarHBondContact O-N 3.39Å; F531-A535 WeakPolarHBondContact O-CB 3.38Å; F531-A535 PolarHBondContact O-N 3.19Å; F531-I638 HydrophobicContact CB-CD1 4.27Å; F531-I638 HydrophobicContact CD1-CG2 4.2Å; F531-I638 HydrophobicContact CD2-CD1 3.74Å; F531-I638 HydrophobicContact CD2-CG2 4.12Å; F531-I638 HydrophobicContact CE1-CG2 4.46Å; F531-I638 HydrophobicContact CE2-CD1 4.46Å; F531-I638 HydrophobicContact CE2-CG2 4.38Å; F531-I638 HydrophobicContact CG-CD1 4.23Å; F531-I638 HydrophobicContact CG-CG2 4.02Å
532	Q	97.4	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.8	-51.7	175.5	176.9	179.6	-22.3	0	0	112.1	M143 E147 W162 V171 G528 S529 L530 I534 A535 I536	M143-Q532 HydrophobicContact CE-CB 4Å; M143-Q532 HydrophobicContact CE-CG 3.86Å; E147-Q532 PolarHBondContact OE1-NE2 2.82Å; E147-Q532 PolarHBondContact OE1-OE1 2.82Å; W162-Q532 HydrophobicContact CH2-CB 4.21Å; W162-Q532 HydrophobicContact CH2-CG 3.95Å; W162-Q532 HydrophobicContact CZ2-CB 4.15Å; W162-Q532 HydrophobicContact CZ2-CG 3.91Å; V171-Q532 HydrophobicContact CG1-CB 3.89Å; G528-Q532 WeakPolarHBondContact O-CB 3.35Å; G528-Q532 PolarHBondContact O-N 3.47Å; S529-Q532 PolarHBondContact O-N 3.07Å; L530-Q532 VanDerWaalsContact C-N 3.3Å; L530-Q532 PolarHBondContact O-N 3.27Å; Q532-I534 VanDerWaalsContact C-N 3.35Å; Q532-I534 PolarHBondContact O-N 2.93Å; Q532-A535 PolarHBondContact O-N 2.96Å; Q532-I536 WeakPolarHBondContact O-CG1 3.48Å; Q532-I536 PolarHBondContact O-N 2.71Å; Q532-I536 VanDerWaalsContact O-N 3.09Å
533	V	97.6	Very high	94.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.6	-38.3	-178.1	68.1	0	0	0	0	111.5	M143 L146 S529 L530 I536 A537 W565 T569 P570 L573	M143-V533 HydrophobicContact SD-CB 4.12Å; L146-V533 HydrophobicContact CD2-CB 4.36Å; L146-V533 HydrophobicContact CD2-CG2 4.15Å; S529-V533 PolarHBondContact O-N 3.41Å; L530-V533 VanDerWaalsContact O-CG1 3.28Å; L530-V533 WeakPolarHBondContact O-CG1 3.43Å; L530-V533 PolarHBondContact O-N 3.08Å; V533-I536 PolarHBondContact O-N 3.17Å; V533-A537 WeakPolarHBondContact O-CB 3.41Å; V533-A537 PolarHBondContact O-N 3.23Å; V533-W565 HydrophobicContact CG2-CB 4.37Å; V533-W565 VanDerWaalsContact CG2-O 3.3Å; V533-W565 WeakPolarHBondContact CG2-O 3.34Å; V533-T569 HydrophobicContact CB-CG2 4.41Å; V533-T569 HydrophobicContact CG1-CG2 4.24Å; V533-T569 HydrophobicContact CG2-CG2 4.16Å; V533-P570 HydrophobicContact CG1-CG 3.94Å; V533-P570 HydrophobicContact CG2-CG 4.45Å; V533-L573 HydrophobicContact CG1-CD1 4.02Å
534	I	96.6	Very high	94.9	Very high	33 Å²	33	32.3 Å²	32.3	17%	0.169	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-48.8	175.1	-71.6	173.1	0	0	0	110.6	L530 Q532 I536 W538 F539	L530-I534 HydrophobicContact CD1-CD1 3.72Å; L530-I534 HydrophobicContact CD1-CG1 4.28Å; L530-I534 HydrophobicContact CG-CD1 3.85Å; L530-I534 WeakPolarHBondContact O-CB 3.37Å; L530-I534 VanDerWaalsContact O-CG1 3.29Å; L530-I534 WeakPolarHBondContact O-CG1 3.39Å; L530-I534 PolarHBondContact O-N 2.93Å; Q532-I534 VanDerWaalsContact C-N 3.35Å; Q532-I534 PolarHBondContact O-N 2.93Å; I534-I536 VanDerWaalsContact C-N 3.27Å; I534-I536 PolarHBondContact O-N 3.09Å; I534-W538 HydrophobicContact CG2-CE3 4.38Å; I534-W538 WeakPolarHBondContact O-CB 3.49Å; I534-W538 PolarHBondContact O-N 3.21Å; I534-F539 HydrophobicContact CG2-CD2 4.19Å; I534-F539 HydrophobicContact CG2-CE2 3.74Å
535	A	95.8	Very high	95	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-54.9	-44.9	179.3	0	0	0	0	0	111.4	W162 F168 F531 Q532 F539 Y540	W162-A535 HydrophobicContact CH2-CB 3.76Å; W162-A535 HydrophobicContact CZ3-CB 3.47Å; W162-A535 VanDerWaalsContact CZ3-CB 3.47Å; F168-A535 HydrophobicContact CB-CB 3.94Å; F168-A535 HydrophobicContact CD1-CB 3.53Å; F168-A535 HydrophobicContact CD2-CB 3.6Å; F168-A535 HydrophobicContact CE1-CB 3.83Å; F168-A535 HydrophobicContact CE2-CB 3.89Å; F168-A535 HydrophobicContact CG-CB 3.4Å; F168-A535 VanDerWaalsContact CG-CB 3.4Å; F168-A535 HydrophobicContact CZ-CB 4Å; F531-A535 WeakPolarHBondContact O-CB 3.38Å; F531-A535 PolarHBondContact O-N 3.19Å; Q532-A535 PolarHBondContact O-N 2.96Å; A535-F539 CarbonylContact O-C 3.56Å; A535-F539 WeakPolarHBondContact O-CA 3.32Å; A535-F539 WeakPolarHBondContact O-CB 3.44Å; A535-F539 PolarHBondContact O-N 2.97Å; A535-Y540 PolarHBondContact O-N 3.46Å
536	I	96.5	Very high	95.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-78.8	-48.8	-177.1	-57.9	-62.7	0	0	0	112.1	L146 L150 W162 I164 Q532 V533 I534 W538 Y540 G541 L545	L146-I536 HydrophobicContact CD1-CB 4.48Å; L146-I536 HydrophobicContact CD1-CG2 3.82Å; L146-I536 HydrophobicContact CD2-CB 4.42Å; L150-I536 HydrophobicContact CD1-CD1 4.06Å; L150-I536 HydrophobicContact CD1-CG1 3.85Å; L150-I536 HydrophobicContact CD2-CD1 3.79Å; L150-I536 HydrophobicContact CD2-CG1 4.3Å; L150-I536 HydrophobicContact CD2-CG2 4.33Å; W162-I536 HydrophobicContact CH2-CD1 4.12Å; W162-I536 HydrophobicContact CH2-CG1 4.16Å; W162-I536 HydrophobicContact CZ3-CD1 3.84Å; W162-I536 HydrophobicContact CZ3-CG1 4.3Å; I164-I536 HydrophobicContact CD1-CD1 3.62Å; Q532-I536 WeakPolarHBondContact O-CG1 3.48Å; Q532-I536 PolarHBondContact O-N 2.71Å; Q532-I536 VanDerWaalsContact O-N 3.09Å; V533-I536 PolarHBondContact O-N 3.17Å; I534-I536 VanDerWaalsContact C-N 3.27Å; I534-I536 PolarHBondContact O-N 3.09Å; I536-W538 PolarHBondContact O-N 2.72Å; I536-Y540 HydrophobicContact CG2-CD1 4.26Å; I536-G541 PolarHBondContact O-N 3.4Å; I536-L545 HydrophobicContact CG2-CD1 4.22Å; I536-L545 HydrophobicContact CG2-CD2 4.15Å
537	A	95.1	Very high	95.1	Very high	6 Å²	6	38.8 Å²	38.8	5%	0.05	18%	0.184	C	C	.	.	I	π-helix	trans	-70.3	-34.8	-173.9	0	0	0	0	0	112.4	V533 M542 W565	V533-A537 WeakPolarHBondContact O-CB 3.41Å; V533-A537 PolarHBondContact O-N 3.23Å; A537-M542 HydrophobicContact CB-SD 4.07Å; A537-W565 HydrophobicContact CB-CB 4.33Å
538	W	93.8	Very high	95	Very high	145 Å²	145	37.8 Å²	37.8	55%	0.549	18%	0.179	S	C	.	.	I	π-helix	trans	-107.2	-34.6	-170.5	-61.9	14.5	0	0	0	113.3	I534 I536 K566	I534-W538 HydrophobicContact CG2-CE3 4.38Å; I534-W538 WeakPolarHBondContact O-CB 3.49Å; I534-W538 PolarHBondContact O-N 3.21Å; I536-W538 PolarHBondContact O-N 2.72Å; W538-K566 PolarHBondContact NE1-O 3.3Å
539	F	92.8	Very high	95.1	Very high	77 Å²	77	37.7 Å²	37.7	34%	0.338	18%	0.179	S	C	.	.	I	π-helix	trans	-101.8	-53.5	-176.2	-61.9	-84	0	0	0	113.3	F168 I534 A535 G541 F659	F168-F539 HydrophobicContact CE2-CB 4.03Å; F168-F539 HydrophobicContact CE2-CD1 4.45Å; F168-F539 AromaticContact CE2-CD2 3.66Å; F168-F539 HydrophobicContact CE2-CD2 3.66Å; F168-F539 HydrophobicContact CE2-CE2 4.18Å; F168-F539 AromaticContact CE2-CG 3.78Å; F168-F539 HydrophobicContact CE2-CG 3.78Å; F168-F539 AromaticContact CZ-CD2 3.54Å; F168-F539 HydrophobicContact CZ-CD2 3.54Å; F168-F539 AromaticContact CZ-CE2 3.64Å; F168-F539 HydrophobicContact CZ-CE2 3.64Å; F168-F539 HydrophobicContact CZ-CG 4.12Å; F168-F539 HydrophobicContact CZ-CZ 4.32Å; I534-F539 HydrophobicContact CG2-CD2 4.19Å; I534-F539 HydrophobicContact CG2-CE2 3.74Å; A535-F539 CarbonylContact O-C 3.56Å; A535-F539 WeakPolarHBondContact O-CA 3.32Å; A535-F539 WeakPolarHBondContact O-CB 3.44Å; A535-F539 PolarHBondContact O-N 2.97Å; F539-G541 PolarHBondContact O-N 3.47Å; F539-F659 HydrophobicContact CB-CD1 4.08Å; F539-F659 HydrophobicContact CB-CE1 4.32Å; F539-F659 AromaticContact CD1-CD1 3.57Å; F539-F659 HydrophobicContact CD1-CD1 3.57Å; F539-F659 AromaticContact CD1-CD2 3.68Å; F539-F659 HydrophobicContact CD1-CD2 3.68Å; F539-F659 AromaticContact CD1-CE1 3.27Å; F539-F659 HydrophobicContact CD1-CE1 3.27Å; F539-F659 AromaticContact CD1-CE2 3.37Å; F539-F659 HydrophobicContact CD1-CE2 3.37Å; F539-F659 AromaticContact CD1-CG 3.8Å; F539-F659 HydrophobicContact CD1-CG 3.8Å; F539-F659 AromaticContact CD1-CZ 3.2Å; F539-F659 HydrophobicContact CD1-CZ 3.2Å; F539-F659 HydrophobicContact CE1-CD1 4.35Å; F539-F659 HydrophobicContact CE1-CD2 4.06Å; F539-F659 AromaticContact CE1-CE1 3.66Å; F539-F659 HydrophobicContact CE1-CE1 3.66Å; F539-F659 AromaticContact CE1-CE2 3.29Å; F539-F659 HydrophobicContact CE1-CE2 3.29Å; F539-F659 AromaticContact CE1-CZ 3.09Å; F539-F659 HydrophobicContact CE1-CZ 3.09Å; F539-F659 HydrophobicContact CG-CD1 4.12Å; F539-F659 AromaticContact CG-CE1 3.9Å; F539-F659 HydrophobicContact CG-CE1 3.9Å; F539-F659 HydrophobicContact CG-CZ 4.21Å; F539-F659 HydrophobicContact CZ-CZ 4.04Å
540	Y	92.4	Very high	95	Very high	20 Å²	20	41.7 Å²	41.7	8%	0.078	20%	0.199	C	C	.	.	I	π-helix	trans	-61.8	-36.9	171	-176.9	-108.5	0	0	0	111.2	H154 I164 A535 I536 K544 D548	H154-Y540 PolarHBondContact CE1-OH 2.87Å; I164-Y540 HydrophobicContact CB-CD2 3.85Å; I164-Y540 HydrophobicContact CB-CE2 3.65Å; I164-Y540 HydrophobicContact CD1-CD2 4.02Å; I164-Y540 HydrophobicContact CD1-CE2 4.12Å; I164-Y540 HydrophobicContact CD1-CG 4.37Å; I164-Y540 HydrophobicContact CG1-CD2 4.07Å; I164-Y540 HydrophobicContact CG1-CE2 4.25Å; I164-Y540 HydrophobicContact CG2-CE2 4.1Å; A535-Y540 PolarHBondContact O-N 3.46Å; I536-Y540 HydrophobicContact CG2-CD1 4.26Å; Y540-K544 HydrophobicContact CD1-CB 4.38Å; Y540-K544 HydrophobicContact CD2-CD 4.08Å; Y540-K544 HydrophobicContact CE1-CB 4.01Å; Y540-K544 HydrophobicContact CE1-CD 4Å; Y540-K544 HydrophobicContact CE1-CG 3.83Å; Y540-K544 HydrophobicContact CE2-CD 3.5Å; Y540-K544 VanDerWaalsContact CE2-CD 3.5Å; Y540-K544 VanDerWaalsContact CE2-CE 3.43Å; Y540-K544 HydrophobicContact CE2-CG 4.21Å; Y540-K544 VanDerWaalsContact CZ-CD 3.46Å; Y540-K544 VanDerWaalsContact OH-CE 3.29Å; Y540-K544 WeakPolarHBondContact OH-CE 3.39Å; Y540-D548 VanDerWaalsContact CE1-OD2 3.31Å; Y540-D548 WeakPolarHBondContact CE1-OD2 3.46Å; Y540-D548 PolarHBondContact OH-OD2 3.3Å
541	G	91.4	Very high	94.9	Very high	20 Å²	20	43.4 Å²	43.4	21%	0.206	21%	0.213	C	C	.	.	I	π-helix	trans	96.2	131.4	166.8	0	0	0	0	0	113.4	I536 F539 N543 K544 L545	I536-G541 PolarHBondContact O-N 3.4Å; F539-G541 PolarHBondContact O-N 3.47Å; G541-N543 PolarHBondContact O-N 3.18Å; G541-N543 VanDerWaalsContact O-N 3.16Å; G541-K544 PolarHBondContact O-N 3.29Å; G541-K544 VanDerWaalsContact O-N 3.13Å; G541-L545 PolarHBondContact O-N 3.25Å; G541-L545 VanDerWaalsContact O-N 3.13Å
542	M	92.8	Very high	94.8	Very high	23 Å²	23	40.1 Å²	40.1	11%	0.113	20%	0.199	C	C	.	.	H	α-helix	trans	-54.5	-34.2	-180	-78.6	-51.7	-52.4	0	0	114.9	A537 L545 C546 R562 W565	A537-M542 HydrophobicContact CB-SD 4.07Å; M542-L545 HydrophobicContact CE-CD2 4.08Å; M542-L545 HydrophobicContact SD-CD2 4.09Å; M542-C546 PolarHBondContact O-N 3.34Å; M542-C546 PolarHBondContact O-SG 3.07Å; M542-R562 HydrophobicContact CE-CB 4.29Å; M542-R562 HydrophobicContact CE-CG 3.92Å; M542-W565 HydrophobicContact CE-CE3 3.53Å; M542-W565 HydrophobicContact CE-CZ3 3.97Å; M542-W565 HydrophobicContact SD-CB 4.34Å; M542-W565 HydrophobicContact SD-CE3 4.18Å
543	N	92.4	Very high	94.7	Very high	123 Å²	123	45.5 Å²	45.5	66%	0.658	23%	0.228	S	C	*	.	H	α-helix	trans	-66.7	-42	-180	-68.5	-20.3	0	0	0	111.6	G541 C546 Q547	G541-N543 PolarHBondContact O-N 3.18Å; G541-N543 VanDerWaalsContact O-N 3.16Å; N543-C546 PolarHBondContact O-N 2.86Å; N543-Q547 WeakPolarHBondContact O-CG 3.37Å; N543-Q547 PolarHBondContact O-N 3.39Å
544	K	92.9	Very high	94.6	Very high	97 Å²	97	46 Å²	46	42%	0.422	23%	0.23	S	C	.	.	H	α-helix	trans	-68.5	-42.8	178.4	-165.7	173.7	177.5	-176.5	0	110.7	Y540 G541 C546 Q547 D548	Y540-K544 HydrophobicContact CD1-CB 4.38Å; Y540-K544 HydrophobicContact CD2-CD 4.08Å; Y540-K544 HydrophobicContact CE1-CB 4.01Å; Y540-K544 HydrophobicContact CE1-CD 4Å; Y540-K544 HydrophobicContact CE1-CG 3.83Å; Y540-K544 HydrophobicContact CE2-CD 3.5Å; Y540-K544 VanDerWaalsContact CE2-CD 3.5Å; Y540-K544 VanDerWaalsContact CE2-CE 3.43Å; Y540-K544 HydrophobicContact CE2-CG 4.21Å; Y540-K544 VanDerWaalsContact CZ-CD 3.46Å; Y540-K544 VanDerWaalsContact OH-CE 3.29Å; Y540-K544 WeakPolarHBondContact OH-CE 3.39Å; G541-K544 PolarHBondContact O-N 3.29Å; G541-K544 VanDerWaalsContact O-N 3.13Å; K544-C546 VanDerWaalsContact C-N 3.32Å; K544-C546 PolarHBondContact O-N 3.4Å; K544-Q547 WeakPolarHBondContact O-CB 3.42Å; K544-Q547 PolarHBondContact O-N 3.28Å; K544-Q547 VanDerWaalsContact O-N 3.1Å; K544-D548 VanDerWaalsContact O-CG 3.3Å; K544-D548 PolarHBondContact O-N 3.46Å
545	L	95.2	Very high	94.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-56.8	-43.6	171.7	-176.2	67.1	0	0	0	112.2	L146 I149 I536 G541 M542 Q547 D548 I549 W565	L146-L545 HydrophobicContact CD1-CD1 4.12Å; L146-L545 HydrophobicContact CD1-CD2 3.65Å; I149-L545 HydrophobicContact CG2-CD1 3.6Å; I536-L545 HydrophobicContact CG2-CD1 4.22Å; I536-L545 HydrophobicContact CG2-CD2 4.15Å; G541-L545 PolarHBondContact O-N 3.25Å; G541-L545 VanDerWaalsContact O-N 3.13Å; M542-L545 HydrophobicContact CE-CD2 4.08Å; M542-L545 HydrophobicContact SD-CD2 4.09Å; L545-Q547 PolarHBondContact O-N 2.82Å; L545-D548 WeakPolarHBondContact O-CB 3.07Å; L545-D548 PolarHBondContact O-N 3Å; L545-I549 HydrophobicContact CG-CD1 4.11Å; L545-I549 WeakPolarHBondContact O-CD1 3.26Å; L545-I549 VanDerWaalsContact O-CG1 3.26Å; L545-I549 WeakPolarHBondContact O-CG1 3.29Å; L545-I549 PolarHBondContact O-N 2.95Å; L545-W565 HydrophobicContact CD2-CD2 4.4Å; L545-W565 HydrophobicContact CD2-CE3 3.85Å; L545-W565 HydrophobicContact CD2-CH2 4.26Å; L545-W565 HydrophobicContact CD2-CZ3 3.75Å
546	C	95.2	Very high	94.3	Very high	8 Å²	8	52.7 Å²	52.7	5%	0.054	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-39.6	175.2	-72.6	0	0	0	0	112.7	M542 N543 K544 D548 I549 I550	M542-C546 PolarHBondContact O-N 3.34Å; M542-C546 PolarHBondContact O-SG 3.07Å; N543-C546 PolarHBondContact O-N 2.86Å; K544-C546 VanDerWaalsContact C-N 3.32Å; K544-C546 PolarHBondContact O-N 3.4Å; C546-D548 VanDerWaalsContact C-N 3.31Å; C546-I549 PolarHBondContact O-N 2.8Å; C546-I550 VanDerWaalsContact O-CG1 3.29Å; C546-I550 WeakPolarHBondContact O-CG1 3.37Å; C546-I550 PolarHBondContact O-N 3Å
547	Q	95.1	Very high	94.1	Very high	128 Å²	128	52.8 Å²	52.8	60%	0.598	27%	0.27	S	S	*	.	H	α-helix	trans	-63.4	-38.6	174.6	-71.5	171.3	-10.4	0	0	111.7	N543 K544 L545 I550 S551	N543-Q547 WeakPolarHBondContact O-CG 3.37Å; N543-Q547 PolarHBondContact O-N 3.39Å; K544-Q547 WeakPolarHBondContact O-CB 3.42Å; K544-Q547 PolarHBondContact O-N 3.28Å; K544-Q547 VanDerWaalsContact O-N 3.1Å; L545-Q547 PolarHBondContact O-N 2.82Å; Q547-I550 PolarHBondContact O-N 3.29Å; Q547-S551 WeakPolarHBondContact O-CB 3.49Å; Q547-S551 PolarHBondContact O-N 3.23Å
548	D	95.2	Very high	94	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-44.2	175.6	-69.7	-28.9	0	0	0	111.5	K153 Y540 K544 L545 C546 S551 M552	K153-D548 HydrophobicContact CB-CB 4.5Å; K153-D548 HydrophobicContact CD-CB 3.86Å; K153-D548 WeakPolarHBondContact CE-OD1 3.3Å; K153-D548 HydrophobicContact CG-CB 3.82Å; K153-D548 IonicContact NZ-OD1 3.17Å; K153-D548 PolarHBondContact NZ-OD1 3.05Å; Y540-D548 VanDerWaalsContact CE1-OD2 3.31Å; Y540-D548 WeakPolarHBondContact CE1-OD2 3.46Å; Y540-D548 PolarHBondContact OH-OD2 3.3Å; K544-D548 VanDerWaalsContact O-CG 3.3Å; K544-D548 PolarHBondContact O-N 3.46Å; L545-D548 WeakPolarHBondContact O-CB 3.07Å; L545-D548 PolarHBondContact O-N 3Å; C546-D548 VanDerWaalsContact C-N 3.31Å; D548-S551 PolarHBondContact O-N 3.35Å; D548-S551 PolarHBondContact O-OG 2.78Å; D548-M552 WeakPolarHBondContact O-CG 3.26Å; D548-M552 PolarHBondContact O-N 3.2Å
549	I	96.5	Very high	94.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-43.5	177.4	-66.2	165	0	0	0	111.2	I149 L545 C546 S551 M552 N553 L554 P555 P557 W565	I149-I549 HydrophobicContact CD1-CD1 3.46Å; I149-I549 VanDerWaalsContact CD1-CD1 3.46Å; I149-I549 HydrophobicContact CD1-CG1 3.78Å; I149-I549 HydrophobicContact CG1-CD1 4.22Å; I149-I549 HydrophobicContact CG1-CG1 3.96Å; I149-I549 HydrophobicContact CG2-CD1 4.29Å; I149-I549 HydrophobicContact CG2-CG1 3.75Å; L545-I549 HydrophobicContact CG-CD1 4.11Å; L545-I549 WeakPolarHBondContact O-CD1 3.26Å; L545-I549 VanDerWaalsContact O-CG1 3.26Å; L545-I549 WeakPolarHBondContact O-CG1 3.29Å; L545-I549 PolarHBondContact O-N 2.95Å; C546-I549 PolarHBondContact O-N 2.8Å; I549-S551 VanDerWaalsContact C-N 3.32Å; I549-S551 PolarHBondContact O-N 2.98Å; I549-M552 HydrophobicContact CG1-CE 4.43Å; I549-M552 PolarHBondContact O-N 3.24Å; I549-N553 PolarHBondContact O-N 3.32Å; I549-L554 HydrophobicContact CG2-CB 3.59Å; I549-L554 PolarHBondContact O-N 2.86Å; I549-L554 VanDerWaalsContact O-N 3.16Å; I549-P555 WeakPolarHBondContact CG2-O 3.41Å; I549-P557 HydrophobicContact CB-CG 4.49Å; I549-P557 HydrophobicContact CD1-CG 3.3Å; I549-P557 HydrophobicContact CG1-CG 4.47Å; I549-P557 HydrophobicContact CG2-CG 4.23Å; I549-W565 HydrophobicContact CD1-CH2 4.04Å; I549-W565 HydrophobicContact CD1-CZ3 4.37Å
550	I	95.2	Very high	94.3	Very high	83 Å²	83	56.2 Å²	56.2	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-43.1	174.5	-69.2	163.7	0	0	0	110.7	C546 Q547 M552 N553 I556	C546-I550 VanDerWaalsContact O-CG1 3.29Å; C546-I550 WeakPolarHBondContact O-CG1 3.37Å; C546-I550 PolarHBondContact O-N 3Å; Q547-I550 PolarHBondContact O-N 3.29Å; I550-M552 PolarHBondContact O-N 3.05Å; I550-N553 PolarHBondContact O-N 3.44Å; I550-I556 HydrophobicContact CD1-CD1 4.17Å; I550-I556 HydrophobicContact CD1-CG1 4.11Å; I550-I556 HydrophobicContact CG1-CD1 4.2Å; I550-I556 HydrophobicContact CG1-CG1 3.73Å
551	S	95.6	Very high	94.5	Very high	59 Å²	59	55.6 Å²	55.6	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-65	-19.9	-179.9	75.9	0	0	0	0	113.9	K153 Q547 D548 I549	K153-S551 PolarHBondContact NZ-OG 3.31Å; Q547-S551 WeakPolarHBondContact O-CB 3.49Å; Q547-S551 PolarHBondContact O-N 3.23Å; D548-S551 PolarHBondContact O-N 3.35Å; D548-S551 PolarHBondContact O-OG 2.78Å; I549-S551 VanDerWaalsContact C-N 3.32Å; I549-S551 PolarHBondContact O-N 2.98Å
552	M	95.8	Very high	94.7	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.03	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.5	173.8	-65.5	-173.7	-70.7	0	0	113.1	I149 Q152 K153 D548 I549 I550 L554	I149-M552 HydrophobicContact CB-CE 4.28Å; I149-M552 HydrophobicContact CG1-CE 4.42Å; I149-M552 HydrophobicContact CG2-CE 3.76Å; Q152-M552 HydrophobicContact CB-SD 3.9Å; Q152-M552 HydrophobicContact CG-SD 3.73Å; K153-M552 HydrophobicContact CB-CE 4.03Å; K153-M552 HydrophobicContact CB-SD 3.83Å; K153-M552 HydrophobicContact CD-CG 4.46Å; D548-M552 WeakPolarHBondContact O-CG 3.26Å; D548-M552 PolarHBondContact O-N 3.2Å; I549-M552 HydrophobicContact CG1-CE 4.43Å; I549-M552 PolarHBondContact O-N 3.24Å; I550-M552 PolarHBondContact O-N 3.05Å; M552-L554 HydrophobicContact CB-CD1 4.13Å; M552-L554 HydrophobicContact CB-CG 4.05Å; M552-L554 HydrophobicContact CE-CD1 3.88Å; M552-L554 PolarHBondContact O-N 3.09Å
553	N	94.9	Very high	94.9	Very high	113 Å²	113	62 Å²	62	60%	0.604	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	32.5	-173	-68.9	-10	0	0	0	113.8	I549 I550	I549-N553 PolarHBondContact O-N 3.32Å; I550-N553 PolarHBondContact O-N 3.44Å
554	L	96.3	Very high	95.2	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.058	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-90.6	158.2	173.8	-66.8	176.1	0	0	0	110.7	Y145 C379 I549 M552 I556	Y145-L554 HydrophobicContact CE2-CD1 4.37Å; C379-L554 VanDerWaalsContact SG-CD1 3.53Å; I549-L554 HydrophobicContact CG2-CB 3.59Å; I549-L554 PolarHBondContact O-N 2.86Å; I549-L554 VanDerWaalsContact O-N 3.16Å; M552-L554 HydrophobicContact CB-CD1 4.13Å; M552-L554 HydrophobicContact CB-CG 4.05Å; M552-L554 HydrophobicContact CE-CD1 3.88Å; M552-L554 PolarHBondContact O-N 3.09Å; L554-I556 PolarHBondContact O-N 3Å
555	P	93.9	Very high	95.5	Very high	65 Å²	65	51.5 Å²	51.5	42%	0.422	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-56	132	177.1	-24.7	34.6	0	0	0	111.9	Y380 I549	Y380-P555 HydrophobicContact CD1-CG 4Å; Y380-P555 HydrophobicContact CE1-CG 4.24Å; Y380-P555 HydrophobicContact CG-CG 4.19Å; I549-P555 WeakPolarHBondContact CG2-O 3.41Å
556	I	91.5	Very high	95.5	Very high	109 Å²	109	57.3 Å²	57.3	56%	0.559	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-59.8	129.7	178.7	-62	173	0	0	0	108.8	I550 L554 N558	I550-I556 HydrophobicContact CD1-CD1 4.17Å; I550-I556 HydrophobicContact CD1-CG1 4.11Å; I550-I556 HydrophobicContact CG1-CD1 4.2Å; I550-I556 HydrophobicContact CG1-CG1 3.73Å; L554-I556 PolarHBondContact O-N 3Å; I556-N558 PolarHBondContact O-N 3.46Å
557	P	91.7	Very high	95.6	Very high	2 Å²	2	61 Å²	61	1%	0.013	31%	0.307	C	S	.	.			trans	-62	113.6	179.4	-22.4	33.7	0	0	0	110.5	I549 W561 R562 W565	I549-P557 HydrophobicContact CB-CG 4.49Å; I549-P557 HydrophobicContact CD1-CG 3.3Å; I549-P557 HydrophobicContact CG1-CG 4.47Å; I549-P557 HydrophobicContact CG2-CG 4.23Å; P557-W561 HydrophobicContact CB-CB 3.81Å; P557-W561 HydrophobicContact CB-CG 4.33Å; P557-R562 HydrophobicContact CB-CG 4.46Å; P557-R562 PolarHBondContact O-NE 3.17Å; P557-R562 PolarHBondContact O-NH2 2.87Å; P557-W565 HydrophobicContact CB-CH2 4.47Å; P557-W565 HydrophobicContact CB-CZ3 4Å; P557-W565 HydrophobicContact CG-CH2 4.33Å; P557-W565 HydrophobicContact CG-CZ3 4.08Å
558	N	93.7	Very high	95.7	Very high	88 Å²	88	57.4 Å²	57.4	47%	0.471	29%	0.292	S	S	.	.			trans	-66.1	-178.3	171.4	67.1	13.8	0	0	0	111.2	I556 Y560 W561 R562	I556-N558 PolarHBondContact O-N 3.46Å; N558-Y560 PolarHBondContact O-N 3.07Å; N558-Y560 VanDerWaalsContact OD1-CB 3.31Å; N558-Y560 WeakPolarHBondContact OD1-CB 3.22Å; N558-Y560 PolarHBondContact OD1-N 3.34Å; N558-Y560 VanDerWaalsContact OD1-N 3.11Å; N558-W561 PolarHBondContact O-N 3.41Å; N558-W561 PolarHBondContact OD1-N 3.3Å; N558-R562 WeakPolarHBondContact O-CG 3.31Å; N558-R562 PolarHBondContact O-N 2.9Å
559	I	94.7	Very high	95.8	Very high	139 Å²	139	56.8 Å²	56.8	71%	0.713	29%	0.289	S	S	*	.	H	α-helix	trans	-59.6	-31.4	-178.6	-168.9	58.9	0	0	0	113.1	R562 L563	I559-R562 PolarHBondContact O-N 2.94Å; I559-L563 VanDerWaalsContact O-CB 3.31Å; I559-L563 WeakPolarHBondContact O-CB 3.46Å; I559-L563 PolarHBondContact O-N 3.21Å
560	Y	97	Very high	95.8	Very high	73 Å²	73	57.3 Å²	57.3	29%	0.286	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-52.7	-179.8	154.7	-92.8	0	0	0	111.8	I137 N558 R562 L563 C564	I137-Y560 HydrophobicContact CG2-CE2 3.89Å; I137-Y560 WeakPolarHBondContact CG2-OH 3.47Å; I137-Y560 PolarHBondContact O-OH 3.31Å; N558-Y560 PolarHBondContact O-N 3.07Å; N558-Y560 VanDerWaalsContact OD1-CB 3.31Å; N558-Y560 WeakPolarHBondContact OD1-CB 3.22Å; N558-Y560 PolarHBondContact OD1-N 3.34Å; N558-Y560 VanDerWaalsContact OD1-N 3.11Å; Y560-R562 VanDerWaalsContact C-N 3.3Å; Y560-R562 PolarHBondContact O-N 2.88Å; Y560-L563 PolarHBondContact O-N 2.71Å; Y560-C564 VanDerWaalsContact CE2-SG 3.58Å; Y560-C564 PolarHBondContact O-N 3.4Å; Y560-C564 PolarHBondContact O-SG 3.23Å
561	W	97.1	Very high	95.9	Very high	7 Å²	7	57.5 Å²	57.5	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-41.6	179.7	-67.5	106.1	0	0	0	111.7	T141 P142 Y145 Y380 L384 P557 N558 L563 C564 W565	T141-W561 HydrophobicContact CG2-CH2 4.08Å; T141-W561 HydrophobicContact CG2-CZ3 4.42Å; P142-W561 HydrophobicContact CB-CE3 4.36Å; P142-W561 HydrophobicContact CB-CZ3 4.38Å; P142-W561 HydrophobicContact CG-CE3 4.39Å; P142-W561 HydrophobicContact CG-CZ3 4.26Å; Y145-W561 HydrophobicContact CD1-CD2 4.11Å; Y145-W561 AromaticContact CD1-CE3 3.71Å; Y145-W561 HydrophobicContact CD1-CE3 3.71Å; Y145-W561 AromaticContact CD1-CH2 3.92Å; Y145-W561 HydrophobicContact CD1-CH2 3.92Å; Y145-W561 HydrophobicContact CD1-CZ2 4.32Å; Y145-W561 AromaticContact CD1-CZ3 3.59Å; Y145-W561 HydrophobicContact CD1-CZ3 3.59Å; Y145-W561 HydrophobicContact CE1-CD2 4.47Å; Y145-W561 HydrophobicContact CE1-CE3 4.5Å; Y145-W561 HydrophobicContact CG-CH2 4.35Å; Y145-W561 HydrophobicContact CG-CZ3 4.11Å; Y380-W561 HydrophobicContact CD2-CZ2 4.24Å; Y380-W561 AromaticContact CE2-CE2 3.82Å; Y380-W561 HydrophobicContact CE2-CH2 4.36Å; Y380-W561 AromaticContact CE2-CZ2 3.44Å; Y380-W561 HydrophobicContact CE2-CZ2 3.44Å; Y380-W561 VanDerWaalsContact CE2-CZ2 3.44Å; Y380-W561 AromaticContact CE2-NE1 3.83Å; L384-W561 HydrophobicContact CD2-CH2 4.04Å; L384-W561 HydrophobicContact CD2-CZ2 4.17Å; P557-W561 HydrophobicContact CB-CB 3.81Å; P557-W561 HydrophobicContact CB-CG 4.33Å; N558-W561 PolarHBondContact O-N 3.41Å; N558-W561 PolarHBondContact OD1-N 3.3Å; W561-L563 PolarHBondContact O-N 3Å; W561-C564 PolarHBondContact O-N 3.26Å; W561-W565 HydrophobicContact CB-CE3 4.21Å; W561-W565 HydrophobicContact CB-CH2 4.15Å; W561-W565 HydrophobicContact CB-CZ3 3.93Å; W561-W565 HydrophobicContact CE3-CZ2 4.07Å; W561-W565 PolarHBondContact O-N 2.88Å
562	R	96.9	Very high	95.9	Very high	94 Å²	94	55.9 Å²	55.9	36%	0.355	28%	0.281	S	S	.	.	H	α-helix	trans	-63.5	-41.5	178.5	-60.7	177.4	-172.7	-149.3	-1.4	111.9	M542 P557 N558 I559 Y560 K566	M542-R562 HydrophobicContact CE-CB 4.29Å; M542-R562 HydrophobicContact CE-CG 3.92Å; P557-R562 HydrophobicContact CB-CG 4.46Å; P557-R562 PolarHBondContact O-NE 3.17Å; P557-R562 PolarHBondContact O-NH2 2.87Å; N558-R562 WeakPolarHBondContact O-CG 3.31Å; N558-R562 PolarHBondContact O-N 2.9Å; I559-R562 PolarHBondContact O-N 2.94Å; Y560-R562 VanDerWaalsContact C-N 3.3Å; Y560-R562 PolarHBondContact O-N 2.88Å; R562-K566 WeakPolarHBondContact O-CB 3.5Å; R562-K566 PolarHBondContact O-N 3.32Å
563	L	97	Very high	95.9	Very high	82 Å²	82	55.6 Å²	55.6	43%	0.429	28%	0.279	S	S	.	.	H	α-helix	trans	-67.4	-40.4	177	-177.3	64.8	0	0	0	111.5	I559 Y560 W561 L567 L568	I559-L563 VanDerWaalsContact O-CB 3.31Å; I559-L563 WeakPolarHBondContact O-CB 3.46Å; I559-L563 PolarHBondContact O-N 3.21Å; Y560-L563 PolarHBondContact O-N 2.71Å; W561-L563 PolarHBondContact O-N 3Å; L563-L567 HydrophobicContact CD1-CB 4.15Å; L563-L567 HydrophobicContact CD1-CD2 3.99Å; L563-L567 WeakPolarHBondContact O-CB 3.17Å; L563-L567 PolarHBondContact O-N 2.88Å; L563-L568 HydrophobicContact CD2-CD1 4.36Å; L563-L568 HydrophobicContact CG-CD1 4.28Å; L563-L568 HydrophobicContact CG-CG 4.28Å; L563-L568 PolarHBondContact O-N 3.49Å; L563-L568 VanDerWaalsContact O-N 3.14Å
564	C	98	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-60.8	-55.8	177.6	-64.9	0	0	0	0	111.2	C138 P142 Y560 W561 K566 L568 T569	C138-C564 PolarHBondContact O-SG 2.84Å; P142-C564 HydrophobicContact CB-CB 3.64Å; P142-C564 HydrophobicContact CG-CB 3.5Å; Y560-C564 VanDerWaalsContact CE2-SG 3.58Å; Y560-C564 PolarHBondContact O-N 3.4Å; Y560-C564 PolarHBondContact O-SG 3.23Å; W561-C564 PolarHBondContact O-N 3.26Å; C564-K566 PolarHBondContact O-N 2.8Å; C564-L568 PolarHBondContact O-N 3.21Å; C564-T569 WeakPolarHBondContact O-CB 3.48Å; C564-T569 PolarHBondContact O-N 3.24Å; C564-T569 PolarHBondContact O-OG1 3.21Å
565	W	98	Very high	95.8	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	28%	0.281	C	S	.	.	I	π-helix	trans	-65.9	-38.8	-178.6	-63.4	-40.6	0	0	0	113.4	P142 Y145 L146 I149 V533 A537 M542 L545 I549 P557 W561 P570	P142-W565 VanDerWaalsContact C-NE1 3.34Å; P142-W565 PolarHBondContact O-NE1 2.95Å; Y145-W565 AromaticContact CD1-CH2 3.96Å; Y145-W565 HydrophobicContact CD1-CH2 3.96Å; Y145-W565 AromaticContact CD1-CZ2 3.65Å; Y145-W565 HydrophobicContact CD1-CZ2 3.65Å; Y145-W565 HydrophobicContact CE1-CH2 4.09Å; Y145-W565 HydrophobicContact CE1-CZ2 4.25Å; Y145-W565 HydrophobicContact CG-CZ2 4.4Å; L146-W565 HydrophobicContact CB-CZ2 4.47Å; L146-W565 HydrophobicContact CD1-CD2 4.43Å; L146-W565 HydrophobicContact CD1-CZ2 4.42Å; I149-W565 HydrophobicContact CD1-CH2 3.74Å; I149-W565 HydrophobicContact CD1-CZ2 3.9Å; V533-W565 HydrophobicContact CG2-CB 4.37Å; V533-W565 VanDerWaalsContact CG2-O 3.3Å; V533-W565 WeakPolarHBondContact CG2-O 3.34Å; A537-W565 HydrophobicContact CB-CB 4.33Å; M542-W565 HydrophobicContact CE-CE3 3.53Å; M542-W565 HydrophobicContact CE-CZ3 3.97Å; M542-W565 HydrophobicContact SD-CB 4.34Å; M542-W565 HydrophobicContact SD-CE3 4.18Å; L545-W565 HydrophobicContact CD2-CD2 4.4Å; L545-W565 HydrophobicContact CD2-CE3 3.85Å; L545-W565 HydrophobicContact CD2-CH2 4.26Å; L545-W565 HydrophobicContact CD2-CZ3 3.75Å; I549-W565 HydrophobicContact CD1-CH2 4.04Å; I549-W565 HydrophobicContact CD1-CZ3 4.37Å; P557-W565 HydrophobicContact CB-CH2 4.47Å; P557-W565 HydrophobicContact CB-CZ3 4Å; P557-W565 HydrophobicContact CG-CH2 4.33Å; P557-W565 HydrophobicContact CG-CZ3 4.08Å; W561-W565 HydrophobicContact CB-CE3 4.21Å; W561-W565 HydrophobicContact CB-CH2 4.15Å; W561-W565 HydrophobicContact CB-CZ3 3.93Å; W561-W565 HydrophobicContact CE3-CZ2 4.07Å; W561-W565 PolarHBondContact O-N 2.88Å; W565-P570 WeakPolarHBondContact O-CD 3.49Å; W565-P570 WeakPolarHBondContact O-CG 3.32Å
566	K	96.8	Very high	95.8	Very high	122 Å²	122	52 Å²	52	53%	0.53	26%	0.261	S	S	.	.	I	π-helix	trans	-79.2	-29.1	-175.2	-165.2	172.9	-178.9	178.3	0	113.1	W538 R562 C564	W538-K566 PolarHBondContact NE1-O 3.3Å; R562-K566 WeakPolarHBondContact O-CB 3.5Å; R562-K566 PolarHBondContact O-N 3.32Å; C564-K566 PolarHBondContact O-N 2.8Å
567	L	96.5	Very high	95.9	Very high	86 Å²	86	47.6 Å²	47.6	45%	0.45	24%	0.238	S	C	.	.	I	π-helix	trans	-134.5	-60	-170	-170.3	65.2	0	0	0	113.8	L563 P570 I571	L563-L567 HydrophobicContact CD1-CB 4.15Å; L563-L567 HydrophobicContact CD1-CD2 3.99Å; L563-L567 WeakPolarHBondContact O-CB 3.17Å; L563-L567 PolarHBondContact O-N 2.88Å; L567-P570 WeakPolarHBondContact O-CD 3.49Å; L567-I571 HydrophobicContact CD1-CD1 3.65Å; L567-I571 HydrophobicContact CD1-CG1 4.39Å; L567-I571 HydrophobicContact CG-CD1 3.72Å; L567-I571 VanDerWaalsContact O-CG1 3.25Å; L567-I571 WeakPolarHBondContact O-CG1 3.49Å; L567-I571 PolarHBondContact O-N 3.49Å; L567-I571 VanDerWaalsContact O-N 3.08Å
568	L	97	Very high	96	Very high	53 Å²	53	52 Å²	52	28%	0.277	26%	0.261	S	S	.	.	I	π-helix	trans	-66.2	-48.3	-169.2	-56.8	174.2	0	0	0	112.6	C138 L563 C564 I571 T572	C138-L568 HydrophobicContact CB-CD1 4.07Å; L563-L568 HydrophobicContact CD2-CD1 4.36Å; L563-L568 HydrophobicContact CG-CD1 4.28Å; L563-L568 HydrophobicContact CG-CG 4.28Å; L563-L568 PolarHBondContact O-N 3.49Å; L563-L568 VanDerWaalsContact O-N 3.14Å; C564-L568 PolarHBondContact O-N 3.21Å; L568-I571 PolarHBondContact O-N 3.45Å; L568-T572 WeakPolarHBondContact O-CB 3.4Å; L568-T572 PolarHBondContact O-N 2.85Å; L568-T572 PolarHBondContact O-OG1 3.01Å
569	T	97.3	Very high	95.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-49.2	178.9	-58	0	0	0	0	112	S139 M143 F356 V533 C564 I571 T572 L573	S139-T569 WeakPolarHBondContact CA-OG1 3.47Å; M143-T569 HydrophobicContact CB-CG2 4.31Å; M143-T569 HydrophobicContact SD-CG2 4.39Å; F356-T569 HydrophobicContact CZ-CG2 4.31Å; V533-T569 HydrophobicContact CB-CG2 4.41Å; V533-T569 HydrophobicContact CG1-CG2 4.24Å; V533-T569 HydrophobicContact CG2-CG2 4.16Å; C564-T569 WeakPolarHBondContact O-CB 3.48Å; C564-T569 PolarHBondContact O-N 3.24Å; C564-T569 PolarHBondContact O-OG1 3.21Å; T569-I571 VanDerWaalsContact C-N 3.34Å; T569-I571 PolarHBondContact O-N 2.67Å; T569-T572 PolarHBondContact O-N 3.16Å; T569-L573 HydrophobicContact CG2-CD1 3.81Å; T569-L573 HydrophobicContact CG2-CG 4.42Å; T569-L573 WeakPolarHBondContact O-CB 3.1Å; T569-L573 WeakPolarHBondContact O-CG 3.42Å; T569-L573 PolarHBondContact O-N 3.3Å
570	P	97.4	Very high	95.7	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.071	22%	0.222	C	C	.	.	H	α-helix	trans	-56.3	-42	172.9	-25.2	30.6	0	0	0	114.3	L530 V533 W565 L567 T574	L530-P570 HydrophobicContact CD1-CB 4.08Å; V533-P570 HydrophobicContact CG1-CG 3.94Å; V533-P570 HydrophobicContact CG2-CG 4.45Å; W565-P570 WeakPolarHBondContact O-CD 3.49Å; W565-P570 WeakPolarHBondContact O-CG 3.32Å; L567-P570 WeakPolarHBondContact O-CD 3.49Å; P570-T574 WeakPolarHBondContact O-CB 3.38Å; P570-T574 PolarHBondContact O-N 3.34Å; P570-T574 PolarHBondContact O-OG1 3.16Å
571	I	96.3	Very high	95.4	Very high	86 Å²	86	44.7 Å²	44.7	44%	0.441	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-50.6	178.1	-70.7	171	0	0	0	110.2	L567 L568 T569 L573 T574 V575	L567-I571 HydrophobicContact CD1-CD1 3.65Å; L567-I571 HydrophobicContact CD1-CG1 4.39Å; L567-I571 HydrophobicContact CG-CD1 3.72Å; L567-I571 VanDerWaalsContact O-CG1 3.25Å; L567-I571 WeakPolarHBondContact O-CG1 3.49Å; L567-I571 PolarHBondContact O-N 3.49Å; L567-I571 VanDerWaalsContact O-N 3.08Å; L568-I571 PolarHBondContact O-N 3.45Å; T569-I571 VanDerWaalsContact C-N 3.34Å; T569-I571 PolarHBondContact O-N 2.67Å; I571-L573 VanDerWaalsContact C-N 3.34Å; I571-L573 PolarHBondContact O-N 2.99Å; I571-T574 WeakPolarHBondContact O-CB 3.38Å; I571-T574 PolarHBondContact O-N 3.1Å; I571-T574 VanDerWaalsContact O-N 3.14Å; I571-V575 HydrophobicContact CG2-CG2 4.41Å; I571-V575 WeakPolarHBondContact O-CG2 3.41Å; I571-V575 PolarHBondContact O-N 3.48Å
572	T	95.7	Very high	95	Very high	25 Å²	25	50.2 Å²	50.2	15%	0.153	26%	0.26	C	S	.	.	H	α-helix	trans	-57.7	-47	179.9	-59.5	0	0	0	0	111	V135 S139 A352 F356 L568 T569 T574 V575 M576	V135-T572 HydrophobicContact CG1-CG2 3.75Å; S139-T572 WeakPolarHBondContact OG-CB 3.27Å; S139-T572 PolarHBondContact OG-OG1 3.34Å; A352-T572 HydrophobicContact CB-CG2 3.96Å; F356-T572 HydrophobicContact CE2-CG2 4.01Å; L568-T572 WeakPolarHBondContact O-CB 3.4Å; L568-T572 PolarHBondContact O-N 2.85Å; L568-T572 PolarHBondContact O-OG1 3.01Å; T569-T572 PolarHBondContact O-N 3.16Å; T572-T574 VanDerWaalsContact C-N 3.35Å; T572-T574 PolarHBondContact O-N 3.07Å; T572-V575 PolarHBondContact O-N 3.13Å; T572-M576 HydrophobicContact CG2-CG 4.49Å; T572-M576 HydrophobicContact CG2-SD 3.82Å; T572-M576 WeakPolarHBondContact O-CG 3.38Å; T572-M576 PolarHBondContact O-N 3.4Å
573	L	96	Very high	94.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-41.3	176.7	-73.3	168.3	0	0	0	112	F356 L526 L530 V533 T569 I571 V575 M576 I577	F356-L573 HydrophobicContact CD1-CD2 4.03Å; F356-L573 HydrophobicContact CE1-CD2 3.68Å; F356-L573 HydrophobicContact CE1-CG 4.2Å; F356-L573 HydrophobicContact CZ-CD2 3.98Å; F356-L573 HydrophobicContact CZ-CG 4.15Å; L526-L573 HydrophobicContact CD2-CD2 4.2Å; L530-L573 HydrophobicContact CB-CB 4.17Å; L530-L573 HydrophobicContact CB-CD1 4.31Å; L530-L573 HydrophobicContact CD1-CB 4.08Å; V533-L573 HydrophobicContact CG1-CD1 4.02Å; T569-L573 HydrophobicContact CG2-CD1 3.81Å; T569-L573 HydrophobicContact CG2-CG 4.42Å; T569-L573 WeakPolarHBondContact O-CB 3.1Å; T569-L573 WeakPolarHBondContact O-CG 3.42Å; T569-L573 PolarHBondContact O-N 3.3Å; I571-L573 VanDerWaalsContact C-N 3.34Å; I571-L573 PolarHBondContact O-N 2.99Å; L573-V575 PolarHBondContact O-N 3.02Å; L573-M576 HydrophobicContact CD2-SD 4.21Å; L573-M576 PolarHBondContact O-N 3.07Å; L573-I577 WeakPolarHBondContact O-CB 3.37Å; L573-I577 WeakPolarHBondContact O-CD1 3.37Å; L573-I577 WeakPolarHBondContact O-CG1 3.43Å; L573-I577 PolarHBondContact O-N 3.23Å
574	T	96	Very high	93.6	Very high	59 Å²	59	50.9 Å²	50.9	36%	0.362	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-43.9	176.2	-56.8	0	0	0	0	111.4	P570 I571 T572 I577 I578	P570-T574 WeakPolarHBondContact O-CB 3.38Å; P570-T574 PolarHBondContact O-N 3.34Å; P570-T574 PolarHBondContact O-OG1 3.16Å; I571-T574 WeakPolarHBondContact O-CB 3.38Å; I571-T574 PolarHBondContact O-N 3.1Å; I571-T574 VanDerWaalsContact O-N 3.14Å; T572-T574 VanDerWaalsContact C-N 3.35Å; T572-T574 PolarHBondContact O-N 3.07Å; T574-I577 PolarHBondContact O-N 2.94Å; T574-I578 HydrophobicContact CG2-CD1 4.02Å; T574-I578 VanDerWaalsContact O-CG1 3.32Å; T574-I578 WeakPolarHBondContact O-CG1 3.45Å; T574-I578 PolarHBondContact O-N 2.85Å
575	V	93.5	Very high	93	Very high	55 Å²	55	54.2 Å²	54.2	33%	0.333	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-43.9	176	171.6	0	0	0	0	111.2	M345 I571 T572 L573 I578 S579	M345-V575 HydrophobicContact SD-CG1 4.47Å; I571-V575 HydrophobicContact CG2-CG2 4.41Å; I571-V575 WeakPolarHBondContact O-CG2 3.41Å; I571-V575 PolarHBondContact O-N 3.48Å; T572-V575 PolarHBondContact O-N 3.13Å; L573-V575 PolarHBondContact O-N 3.02Å; V575-I578 PolarHBondContact O-N 3.36Å; V575-S579 WeakPolarHBondContact O-CB 3.36Å; V575-S579 PolarHBondContact O-N 3.28Å
576	M	93	Very high	92.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-41.2	177	-65.8	158.3	71.9	0	0	112.1	A352 I353 F356 L526 T572 L573 S579 S580	A352-M576 HydrophobicContact CB-CE 4.3Å; A352-M576 HydrophobicContact CB-CG 3.47Å; A352-M576 VanDerWaalsContact CB-CG 3.47Å; A352-M576 HydrophobicContact CB-SD 3.62Å; A352-M576 WeakPolarHBondContact O-CE 3.5Å; I353-M576 HydrophobicContact CG1-CB 4.22Å; I353-M576 HydrophobicContact CG1-CE 4.16Å; I353-M576 HydrophobicContact CG1-CG 4.22Å; F356-M576 HydrophobicContact CB-CE 3.59Å; F356-M576 HydrophobicContact CD2-CE 3.59Å; F356-M576 HydrophobicContact CD2-SD 3.72Å; F356-M576 HydrophobicContact CE2-CE 4.39Å; F356-M576 HydrophobicContact CE2-SD 3.95Å; F356-M576 HydrophobicContact CG-CE 3.67Å; F356-M576 HydrophobicContact CG-SD 4.29Å; L526-M576 HydrophobicContact CD1-CB 3.85Å; L526-M576 HydrophobicContact CD1-CE 4.4Å; L526-M576 HydrophobicContact CD2-CB 4.4Å; L526-M576 HydrophobicContact CD2-CE 3.18Å; L526-M576 HydrophobicContact CD2-SD 4.33Å; L526-M576 HydrophobicContact CG-CE 4.4Å; T572-M576 HydrophobicContact CG2-CG 4.49Å; T572-M576 HydrophobicContact CG2-SD 3.82Å; T572-M576 WeakPolarHBondContact O-CG 3.38Å; T572-M576 PolarHBondContact O-N 3.4Å; L573-M576 HydrophobicContact CD2-SD 4.21Å; L573-M576 PolarHBondContact O-N 3.07Å; M576-S579 PolarHBondContact O-N 3.34Å; M576-S580 VanDerWaalsContact O-CB 3.29Å; M576-S580 WeakPolarHBondContact O-CB 3.36Å; M576-S580 PolarHBondContact O-N 2.88Å
577	I	94.4	Very high	92	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.087	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-49.5	176.6	-69.1	160.3	0	0	0	109.9	L526 I527 L530 L573 T574 S579 S580 L581	L526-I577 HydrophobicContact CB-CD1 4.27Å; L526-I577 HydrophobicContact CB-CG1 3.57Å; L526-I577 HydrophobicContact CD1-CG1 4.45Å; I527-I577 HydrophobicContact CB-CD1 4.49Å; I527-I577 HydrophobicContact CG1-CD1 3.88Å; I527-I577 HydrophobicContact CG1-CG1 4.06Å; I527-I577 HydrophobicContact CG1-CG2 4.2Å; L530-I577 HydrophobicContact CB-CD1 4.08Å; L530-I577 HydrophobicContact CD2-CD1 3.68Å; L530-I577 HydrophobicContact CG-CD1 4.49Å; L573-I577 WeakPolarHBondContact O-CB 3.37Å; L573-I577 WeakPolarHBondContact O-CD1 3.37Å; L573-I577 WeakPolarHBondContact O-CG1 3.43Å; L573-I577 PolarHBondContact O-N 3.23Å; T574-I577 PolarHBondContact O-N 2.94Å; I577-S579 VanDerWaalsContact C-N 3.32Å; I577-S579 PolarHBondContact O-N 2.95Å; I577-S580 PolarHBondContact O-N 2.96Å; I577-L581 HydrophobicContact CG2-CD1 3.79Å; I577-L581 HydrophobicContact CG2-CG 4.31Å; I577-L581 WeakPolarHBondContact O-CB 3.26Å; I577-L581 VanDerWaalsContact O-CG 3.28Å; I577-L581 WeakPolarHBondContact O-CG 3.41Å; I577-L581 PolarHBondContact O-N 3.44Å
578	I	94.2	Very high	91.6	Very high	94 Å²	94	51.9 Å²	51.9	48%	0.482	29%	0.294	S	S	.	.	H	α-helix	trans	-57.8	-49	177.4	-67.3	166.7	0	0	0	109.6	T574 V575 S580 L581 I582	T574-I578 HydrophobicContact CG2-CD1 4.02Å; T574-I578 VanDerWaalsContact O-CG1 3.32Å; T574-I578 WeakPolarHBondContact O-CG1 3.45Å; T574-I578 PolarHBondContact O-N 2.85Å; V575-I578 PolarHBondContact O-N 3.36Å; I578-S580 VanDerWaalsContact C-N 3.3Å; I578-S580 PolarHBondContact O-N 2.81Å; I578-L581 PolarHBondContact O-N 2.97Å; I578-L581 VanDerWaalsContact O-N 3.13Å; I578-I582 HydrophobicContact CG2-CD1 4.47Å; I578-I582 WeakPolarHBondContact O-CG1 3.02Å; I578-I582 PolarHBondContact O-N 3.34Å
579	S	92.2	Very high	91.3	Very high	22 Å²	22	50.1 Å²	50.1	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-39.6	178.2	-169.2	0	0	0	0	112.9	A349 V575 M576 I577 D583	A349-S579 VanDerWaalsContact CB-OG 3.28Å; A349-S579 WeakPolarHBondContact CB-OG 3.42Å; V575-S579 WeakPolarHBondContact O-CB 3.36Å; V575-S579 PolarHBondContact O-N 3.28Å; M576-S579 PolarHBondContact O-N 3.34Å; I577-S579 VanDerWaalsContact C-N 3.32Å; I577-S579 PolarHBondContact O-N 2.95Å; S579-D583 PolarHBondContact O-N 3.42Å
580	S	89.6	Confident	90.7	Very high	30 Å²	30	54.5 Å²	54.5	21%	0.21	31%	0.307	C	S	.	.	H	α-helix	trans	-70.4	-31.5	177.9	177.2	0	0	0	0	112.6	T523 M576 I577 I578	T523-S580 PolarHBondContact OG1-OG 3.33Å; M576-S580 VanDerWaalsContact O-CB 3.29Å; M576-S580 WeakPolarHBondContact O-CB 3.36Å; M576-S580 PolarHBondContact O-N 2.88Å; I577-S580 PolarHBondContact O-N 2.96Å; I578-S580 VanDerWaalsContact C-N 3.3Å; I578-S580 PolarHBondContact O-N 2.81Å
581	L	89.9	Confident	90	Very high	95 Å²	95	54.2 Å²	54.2	50%	0.497	31%	0.305	S	S	.	.	H	α-helix	trans	-80.1	-26.8	179.5	-70.4	174.4	0	0	0	113	T523 I577 I578 W628	T523-L581 HydrophobicContact CG2-CD2 3.94Å; T523-L581 HydrophobicContact CG2-CG 4.3Å; I577-L581 HydrophobicContact CG2-CD1 3.79Å; I577-L581 HydrophobicContact CG2-CG 4.31Å; I577-L581 WeakPolarHBondContact O-CB 3.26Å; I577-L581 VanDerWaalsContact O-CG 3.28Å; I577-L581 WeakPolarHBondContact O-CG 3.41Å; I577-L581 PolarHBondContact O-N 3.44Å; I578-L581 PolarHBondContact O-N 2.97Å; I578-L581 VanDerWaalsContact O-N 3.13Å; L581-W628 HydrophobicContact CD2-CH2 3.75Å; L581-W628 HydrophobicContact CD2-CZ3 4.07Å
582	I	90	Very high	88.8	Confident	122 Å²	122	50.2 Å²	50.2	63%	0.626	29%	0.285	S	S	*	.	S	Bend	trans	-96	-1.8	178.6	69.4	177.2	0	0	0	113.5	I578 P584	I578-I582 HydrophobicContact CG2-CD1 4.47Å; I578-I582 WeakPolarHBondContact O-CG1 3.02Å; I578-I582 PolarHBondContact O-N 3.34Å; I582-P584 VanDerWaalsContact O-CD 3.28Å; I582-P584 WeakPolarHBondContact O-CD 3.42Å; I582-P584 VanDerWaalsContact O-N 3.09Å
583	D	84	Confident	87.5	Confident	69 Å²	69	49.1 Å²	49.1	37%	0.369	28%	0.278	S	S	.	.			trans	-55.5	113.4	-179	179.9	5.5	0	0	0	110	R518 S579 T585	R518-D583 IonicContact NH1-OD2 3.01Å; R518-D583 PolarHBondContact NH1-OD2 2.86Å; S579-D583 PolarHBondContact O-N 3.42Å; D583-T585 PolarHBondContact O-N 3.23Å; D583-T585 WeakPolarHBondContact OD1-CB 3.13Å; D583-T585 VanDerWaalsContact OD1-CG2 3.31Å; D583-T585 WeakPolarHBondContact OD1-CG2 3.43Å; D583-T585 PolarHBondContact OD1-N 3.26Å; D583-T585 PolarHBondContact OD1-OG1 3.49Å; D583-T585 PolarHBondContact OD2-OG1 3.36Å
584	P	80.6	Confident	85.9	Confident	122 Å²	122	50.7 Å²	50.7	79%	0.792	29%	0.285	S	S	*	.			trans	-78.7	-3.7	-174.7	33.6	-36.7	0	0	0	112.6	I582 P586	I582-P584 VanDerWaalsContact O-CD 3.28Å; I582-P584 WeakPolarHBondContact O-CD 3.42Å; I582-P584 VanDerWaalsContact O-N 3.09Å; P584-P586 VanDerWaalsContact O-CD 3.32Å; P584-P586 WeakPolarHBondContact O-CD 3.38Å
585	T	83.7	Confident	84.5	Confident	69 Å²	69	48 Å²	48	42%	0.423	27%	0.268	S	S	.	.			trans	-66.3	116.5	-174.7	54.8	0	0	0	0	110.8	R518 D583	R518-T585 PolarHBondContact NH1-OG1 2.67Å; R518-T585 VanDerWaalsContact NH1-OG1 3.11Å; R518-T585 PolarHBondContact NH2-O 3.12Å; R518-T585 PolarHBondContact NH2-OG1 2.9Å; D583-T585 PolarHBondContact O-N 3.23Å; D583-T585 WeakPolarHBondContact OD1-CB 3.13Å; D583-T585 VanDerWaalsContact OD1-CG2 3.31Å; D583-T585 WeakPolarHBondContact OD1-CG2 3.43Å; D583-T585 PolarHBondContact OD1-N 3.26Å; D583-T585 PolarHBondContact OD1-OG1 3.49Å; D583-T585 PolarHBondContact OD2-OG1 3.36Å
586	P	85.1	Confident	82.8	Confident	79 Å²	79	49 Å²	49	51%	0.513	28%	0.276	S	S	.	.			trans	-67.9	151.7	-178.2	29	-34.9	0	0	0	110.7	P584 Q588	P584-P586 VanDerWaalsContact O-CD 3.32Å; P584-P586 WeakPolarHBondContact O-CD 3.38Å; P586-Q588 HydrophobicContact CB-CG 4.17Å; P586-Q588 HydrophobicContact CG-CG 4.13Å; P586-Q588 PolarHBondContact O-N 3.23Å; P586-Q588 VanDerWaalsContact O-N 3.08Å
587	L	89.8	Confident	81.3	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.073	30%	0.297	C	S	.	.			trans	-71.1	104	168.5	-178.4	73.9	0	0	0	108.6	L515 R518 Y519 Y619	L515-L587 HydrophobicContact CD1-CD2 3.51Å; R518-L587 HydrophobicContact CB-CD1 3.93Å; R518-L587 HydrophobicContact CG-CD1 4.05Å; Y519-L587 HydrophobicContact CE2-CD1 4.27Å; Y519-L587 HydrophobicContact CE2-CD2 4.04Å; L587-Y619 HydrophobicContact CB-CD2 4.42Å; L587-Y619 HydrophobicContact CD1-CE2 4.39Å; L587-Y619 HydrophobicContact CD2-CD1 3.33Å; L587-Y619 HydrophobicContact CD2-CD2 3.83Å; L587-Y619 HydrophobicContact CD2-CE1 3.86Å; L587-Y619 HydrophobicContact CD2-CE2 4.29Å; L587-Y619 HydrophobicContact CD2-CG 3.31Å; L587-Y619 HydrophobicContact CG-CD1 4Å; L587-Y619 HydrophobicContact CG-CD2 3.58Å; L587-Y619 HydrophobicContact CG-CE1 4.27Å; L587-Y619 HydrophobicContact CG-CE2 3.87Å; L587-Y619 HydrophobicContact CG-CG 3.64Å; L587-Y619 VanDerWaalsContact O-CD2 3.27Å; L587-Y619 WeakPolarHBondContact O-CD2 3.45Å
588	Q	88.8	Confident	79.8	Confident	67 Å²	67	56.3 Å²	56.3	31%	0.313	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.8	177.8	-68.4	178.1	-8.4	0	0	109.4	N514 P586 F616	N514-Q588 PolarHBondContact ND2-O 3.14Å; P586-Q588 HydrophobicContact CB-CG 4.17Å; P586-Q588 HydrophobicContact CG-CG 4.13Å; P586-Q588 PolarHBondContact O-N 3.23Å; P586-Q588 VanDerWaalsContact O-N 3.08Å; Q588-F616 HydrophobicContact CB-CB 4.42Å; Q588-F616 HydrophobicContact CB-CD2 4.46Å; Q588-F616 HydrophobicContact CG-CD2 4.02Å
589	Y	88.9	Confident	78.2	Confident	17 Å²	17	53.2 Å²	53.2	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.4	168.8	172.9	-94.4	0	0	0	107.9	E255 L261 M510 Y511 Y591 F616 Y617	E255-Y589 PolarHBondContact OE1-OH 2.88Å; L261-Y589 HydrophobicContact CD2-CD1 4.43Å; L261-Y589 HydrophobicContact CD2-CE1 3.57Å; M510-Y589 HydrophobicContact CE-CD2 4.09Å; M510-Y589 HydrophobicContact CE-CE2 3.5Å; M510-Y589 VanDerWaalsContact CE-CE2 3.5Å; M510-Y589 HydrophobicContact CG-CD2 3.98Å; M510-Y589 HydrophobicContact CG-CE2 3.39Å; M510-Y589 HydrophobicContact SD-CE2 4.3Å; Y511-Y589 HydrophobicContact CD1-CD1 4.37Å; Y511-Y589 HydrophobicContact CD1-CG 4.36Å; Y511-Y589 AromaticContact CE1-CD1 3.9Å; Y511-Y589 HydrophobicContact CE1-CD1 3.9Å; Y511-Y589 HydrophobicContact CE1-CG 4.33Å; Y589-Y591 AromaticContact CD1-CD1 3.97Å; Y589-Y591 HydrophobicContact CD1-CD1 3.97Å; Y589-Y591 AromaticContact CD1-CE1 3.99Å; Y589-Y591 HydrophobicContact CD1-CE1 3.99Å; Y589-Y591 HydrophobicContact CD1-CG 4.44Å; Y589-Y591 AromaticContact CE1-CD1 3.64Å; Y589-Y591 HydrophobicContact CE1-CD1 3.64Å; Y589-Y591 AromaticContact CE1-CE1 3.94Å; Y589-Y591 HydrophobicContact CE1-CE1 3.94Å; Y589-Y591 HydrophobicContact CE1-CG 4.3Å; Y589-F616 CarbonylContact O-C 3.17Å; Y589-F616 WeakPolarHBondContact O-CA 3.37Å; Y589-F616 WeakPolarHBondContact O-CB 3.48Å; Y589-Y617 PolarHBondContact N-O 2.6Å; Y589-Y617 PolarHBondContact O-N 3.36Å
590	N	85.4	Confident	76.8	Confident	91 Å²	91	58.1 Å²	58.1	49%	0.487	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.4	179	-64	-20.5	0	0	0	108.7	G592	N590-G592 PolarHBondContact O-N 2.95Å
591	Y	82.5	Confident	75.5	Confident	6 Å²	6	61.5 Å²	61.5	2%	0.024	34%	0.343	C	S	.	.			trans	-73.2	128.5	178.6	-67.6	-74.9	0	0	0	110.2	L261 Y511 Y589 V593 H595 L598 G612 T613 Q615 Y617	L261-Y591 HydrophobicContact CD2-CD1 3.83Å; L261-Y591 HydrophobicContact CD2-CE1 3.61Å; L261-Y591 HydrophobicContact CG-CE1 4.32Å; Y511-Y591 HydrophobicContact CE1-CE1 4.29Å; Y511-Y591 WeakPolarHBondContact OH-CE1 3.36Å; Y511-Y591 PolarHBondContact OH-OH 3.01Å; Y589-Y591 AromaticContact CD1-CD1 3.97Å; Y589-Y591 HydrophobicContact CD1-CD1 3.97Å; Y589-Y591 AromaticContact CD1-CE1 3.99Å; Y589-Y591 HydrophobicContact CD1-CE1 3.99Å; Y589-Y591 HydrophobicContact CD1-CG 4.44Å; Y589-Y591 AromaticContact CE1-CD1 3.64Å; Y589-Y591 HydrophobicContact CE1-CD1 3.64Å; Y589-Y591 AromaticContact CE1-CE1 3.94Å; Y589-Y591 HydrophobicContact CE1-CE1 3.94Å; Y589-Y591 HydrophobicContact CE1-CG 4.3Å; Y591-V593 PolarHBondContact O-N 3.33Å; Y591-H595 AromaticContact CD1-CD2 3.32Å; Y591-H595 WeakPolarHBondContact CD1-CD2 3.22Å; Y591-H595 AromaticContact CD1-NE2 3.23Å; Y591-H595 WeakPolarHBondContact CD1-NE2 3.45Å; Y591-H595 AromaticContact CE1-CD2 3.9Å; Y591-H595 AromaticContact CE1-NE2 3.79Å; Y591-H595 AromaticContact CG-CD2 3.5Å; Y591-H595 VanDerWaalsContact CG-CD2 3.5Å; Y591-H595 AromaticContact CG-NE2 3.87Å; Y591-L598 HydrophobicContact CD2-CD1 4.18Å; Y591-L598 HydrophobicContact CE1-CD1 4.17Å; Y591-L598 HydrophobicContact CE2-CD1 3.46Å; Y591-L598 VanDerWaalsContact CE2-CD1 3.46Å; Y591-L598 VanDerWaalsContact CZ-CD1 3.44Å; Y591-L598 WeakPolarHBondContact OH-CD1 3.4Å; Y591-G612 CarbonylContact O-C 3.39Å; Y591-G612 WeakPolarHBondContact O-CA 3.31Å; Y591-T613 PolarHBondContact O-N 2.98Å; Y591-T613 PolarHBondContact O-OG1 3Å; Y591-T613 VanDerWaalsContact O-OG1 3.13Å; Y591-Q615 HydrophobicContact CD2-CB 4.08Å; Y591-Q615 PolarHBondContact N-O 3.38Å; Y591-Q615 VanDerWaalsContact N-O 3.12Å; Y591-Y617 WeakPolarHBondContact OH-CB 3.45Å
592	G	72.1	Confident	73.9	Confident	2 Å²	2	68.7 Å²	68.7	2%	0.021	37%	0.365	C	S	.	.	S	Bend	trans	-57.3	-38.1	171.6	0	0	0	0	0	112.7	I251 E255 N590	I251-G592 WeakPolarHBondContact CG2-O 3.14Å; E255-G592 VanDerWaalsContact CD-N 3.3Å; E255-G592 PolarHBondContact OE1-N 3.14Å; E255-G592 WeakPolarHBondContact OE2-CA 3.33Å; E255-G592 PolarHBondContact OE2-N 3.48Å; E255-G592 VanDerWaalsContact OE2-N 3.1Å; N590-G592 PolarHBondContact O-N 2.95Å
593	V	67.5	Low	72.4	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	37%	0.371	C	S	.	.	S	Bend	trans	-116.3	150.9	-170.3	-172	0	0	0	0	110.7	I251 E252 E255 Y591 H595 T613	I251-V593 HydrophobicContact CB-CG2 4.05Å; I251-V593 HydrophobicContact CG2-CG2 3.44Å; I251-V593 VanDerWaalsContact CG2-CG2 3.44Å; E252-V593 HydrophobicContact CB-CG2 4.35Å; E252-V593 HydrophobicContact CG-CB 4.35Å; E252-V593 HydrophobicContact CG-CG1 3.67Å; E252-V593 HydrophobicContact CG-CG2 3.65Å; E255-V593 WeakPolarHBondContact OE2-CG2 3.32Å; E255-V593 PolarHBondContact OE2-N 3.05Å; E255-V593 VanDerWaalsContact OE2-N 3.07Å; Y591-V593 PolarHBondContact O-N 3.33Å; V593-H595 PolarHBondContact O-CD2 3.33Å; V593-H595 PolarHBondContact O-N 3.12Å; V593-T613 VanDerWaalsContact C-CG2 3.46Å
594	K	63.3	Low	71.3	Confident	34 Å²	34	68.1 Å²	68.1	15%	0.148	37%	0.369	C	S	.	.			trans	-62.8	119.5	165.8	-174.2	177.3	-174.8	176.7	0	109.1	N245 P596 V606	N245-K594 PolarHBondContact OD1-NZ 3.07Å; K594-P596 WeakPolarHBondContact O-CD 3.34Å; K594-V606 HydrophobicContact CB-CG1 4.44Å; K594-V606 HydrophobicContact CD-CB 4.21Å; K594-V606 HydrophobicContact CD-CG2 4.26Å; K594-V606 HydrophobicContact CG-CB 4.31Å; K594-V606 HydrophobicContact CG-CG1 4.3Å; K594-V606 HydrophobicContact CG-CG2 4.2Å
595	H	65.3	Low	70.5	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.009	36%	0.356	C	S	.	.			trans	-95.3	96.4	170	-76.4	-82.8	0	0	0	108.7	Y591 V593 E597 L598 S599 Q615	Y591-H595 AromaticContact CD1-CD2 3.32Å; Y591-H595 WeakPolarHBondContact CD1-CD2 3.22Å; Y591-H595 AromaticContact CD1-NE2 3.23Å; Y591-H595 WeakPolarHBondContact CD1-NE2 3.45Å; Y591-H595 AromaticContact CE1-CD2 3.9Å; Y591-H595 AromaticContact CE1-NE2 3.79Å; Y591-H595 AromaticContact CG-CD2 3.5Å; Y591-H595 VanDerWaalsContact CG-CD2 3.5Å; Y591-H595 AromaticContact CG-NE2 3.87Å; V593-H595 PolarHBondContact O-CD2 3.33Å; V593-H595 PolarHBondContact O-N 3.12Å; H595-E597 HydrophobicContact CB-CG 4.26Å; H595-E597 IonicContact CE1-OE1 3.79Å; H595-E597 IonicContact CG-OE1 3.57Å; H595-E597 IonicContact ND1-OE1 3.85Å; H595-E597 PolarHBondContact ND1-OE1 2.94Å; H595-E597 PolarHBondContact O-N 3.28Å; H595-L598 HydrophobicContact CB-CB 3.93Å; H595-L598 HydrophobicContact CB-CD1 3.64Å; H595-L598 HydrophobicContact CB-CG 3.79Å; H595-L598 PolarHBondContact O-N 3.23Å; H595-S599 PolarHBondContact O-N 3.49Å; H595-Q615 PolarHBondContact O-NE2 2.98Å
596	P	59.2	Low	69.4	Low	76 Å²	76	63.1 Å²	63.1	49%	0.494	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-59.7	-31.6	177.9	22.1	-30.7	0	0	0	111.8	K594 L598 S599	K594-P596 WeakPolarHBondContact O-CD 3.34Å; P596-L598 PolarHBondContact O-N 2.71Å; P596-S599 PolarHBondContact O-N 2.9Å
597	E	61.3	Low	68.4	Low	96 Å²	96	63.3 Å²	63.3	45%	0.449	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.1	-24.2	173	55.9	-89.1	-162.7	0	0	114.9	R256 H595	R256-E597 IonicContact CZ-OE1 3.91Å; R256-E597 IonicContact NH1-OE1 3.76Å; R256-E597 PolarHBondContact NH1-OE1 2.83Å; R256-E597 IonicContact NH1-OE2 3.93Å; R256-E597 IonicContact NH2-OE1 2.9Å; H595-E597 HydrophobicContact CB-CG 4.26Å; H595-E597 IonicContact CE1-OE1 3.79Å; H595-E597 IonicContact CG-OE1 3.57Å; H595-E597 IonicContact ND1-OE1 3.85Å; H595-E597 PolarHBondContact ND1-OE1 2.94Å; H595-E597 PolarHBondContact O-N 3.28Å
598	L	63.1	Low	67.1	Low	75 Å²	75	65.1 Å²	65.1	39%	0.393	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-95.1	-12	178.4	-67.1	176.7	0	0	0	113	Y591 H595 P596 T600	Y591-L598 HydrophobicContact CD2-CD1 4.18Å; Y591-L598 HydrophobicContact CE1-CD1 4.17Å; Y591-L598 HydrophobicContact CE2-CD1 3.46Å; Y591-L598 VanDerWaalsContact CE2-CD1 3.46Å; Y591-L598 VanDerWaalsContact CZ-CD1 3.44Å; Y591-L598 WeakPolarHBondContact OH-CD1 3.4Å; H595-L598 HydrophobicContact CB-CB 3.93Å; H595-L598 HydrophobicContact CB-CD1 3.64Å; H595-L598 HydrophobicContact CB-CG 3.79Å; H595-L598 PolarHBondContact O-N 3.23Å; P596-L598 PolarHBondContact O-N 2.71Å; L598-T600 PolarHBondContact O-N 3.3Å
599	S	60.5	Low	65.9	Low	28 Å²	28	65.4 Å²	65.4	20%	0.196	35%	0.349	C	S	.	.			trans	-77.3	119.9	-178.5	-170.6	0	0	0	0	110.1	H595 P596 N601 E604	H595-S599 PolarHBondContact O-N 3.49Å; P596-S599 PolarHBondContact O-N 2.9Å; S599-N601 VanDerWaalsContact C-N 3.32Å; S599-N601 PolarHBondContact OG-O 2.95Å; S599-N601 VanDerWaalsContact OG-O 3.07Å; S599-E604 PolarHBondContact OG-OE2 2.97Å
600	T	61.4	Low	64.7	Low	125 Å²	125	65.9 Å²	65.9	77%	0.767	35%	0.352	S	S	*	.	S	Bend	trans	-74.8	-23.6	179.8	52.7	0	0	0	0	112.6	L598	L598-T600 PolarHBondContact O-N 3.3Å
601	N	62.2	Low	63.4	Low	102 Å²	102	64 Å²	64	55%	0.545	34%	0.341	S	S	.	.	S	Bend	trans	-134.9	127.5	-178	-75.8	-29.2	0	0	0	110.9	S599 S603 E604	S599-N601 VanDerWaalsContact C-N 3.32Å; S599-N601 PolarHBondContact OG-O 2.95Å; S599-N601 VanDerWaalsContact OG-O 3.07Å; N601-S603 PolarHBondContact O-N 2.93Å; N601-E604 WeakPolarHBondContact O-CB 3.38Å; N601-E604 PolarHBondContact O-N 3.39Å
602	Y	58.1	Low	62.4	Low	245 Å²	245	63.9 Å²	63.9	96%	0.961	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-23.6	175.8	-76.5	-82.5	0	0	0	114.6
603	S	57	Low	62.3	Low	105 Å²	105	64.4 Å²	64.4	73%	0.734	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	3.9	179.8	38.8	0	0	0	0	114.7	N601 V605	N601-S603 PolarHBondContact O-N 2.93Å; S603-V605 PolarHBondContact O-N 2.95Å
604	E	62.6	Low	62.5	Low	74 Å²	74	66.8 Å²	66.8	35%	0.346	36%	0.361	S	S	.	.			trans	-64.7	116.9	176.1	-170.6	-177.6	-177.8	0	0	111.2	S599 N601 V606	S599-E604 PolarHBondContact OG-OE2 2.97Å; N601-E604 WeakPolarHBondContact O-CB 3.38Å; N601-E604 PolarHBondContact O-N 3.39Å; E604-V606 HydrophobicContact CG-CG2 4.29Å; E604-V606 PolarHBondContact O-N 3.11Å; E604-V606 VanDerWaalsContact O-N 3.13Å
605	V	62.4	Low	63.2	Low	83 Å²	83	65.8 Å²	65.8	50%	0.503	36%	0.357	S	S	.	.			trans	-79.4	96.6	175	-178.1	0	0	0	0	108.7	K244 S603 N607	K244-V605 HydrophobicContact CD-CG1 4.05Å; S603-V605 PolarHBondContact O-N 2.95Å; V605-N607 PolarHBondContact O-N 3.38Å
606	V	60.8	Low	64.1	Low	3 Å²	3	70.1 Å²	70.1	2%	0.018	38%	0.376	C	S	.	.			trans	-81.4	114.2	173.4	-178.9	0	0	0	0	108.9	K594 E604 T613 Q615	K594-V606 HydrophobicContact CB-CG1 4.44Å; K594-V606 HydrophobicContact CD-CB 4.21Å; K594-V606 HydrophobicContact CD-CG2 4.26Å; K594-V606 HydrophobicContact CG-CB 4.31Å; K594-V606 HydrophobicContact CG-CG1 4.3Å; K594-V606 HydrophobicContact CG-CG2 4.2Å; E604-V606 HydrophobicContact CG-CG2 4.29Å; E604-V606 PolarHBondContact O-N 3.11Å; E604-V606 VanDerWaalsContact O-N 3.13Å; V606-T613 VanDerWaalsContact CG1-CB 3.49Å; V606-T613 HydrophobicContact CG1-CG2 3.86Å; V606-Q615 HydrophobicContact CG1-CG 4.04Å; V606-Q615 HydrophobicContact CG2-CG 3.98Å
607	N	63.6	Low	65.5	Low	83 Å²	83	67.9 Å²	67.9	44%	0.444	36%	0.357	S	S	.	.			trans	-78.5	122.7	172.1	-71.5	-31.1	0	0	0	108.4	K244 V605 T613 S614	K244-N607 PolarHBondContact NZ-OD1 3.25Å; V605-N607 PolarHBondContact O-N 3.38Å; N607-T613 CarbonylContact O-C 3.53Å; N607-T613 WeakPolarHBondContact O-CA 3.46Å; N607-S614 PolarHBondContact N-OG 2.85Å; N607-S614 PolarHBondContact O-N 2.92Å; N607-S614 VanDerWaalsContact O-N 3.11Å
608	I	62.4	Low	66.7	Low	52 Å²	52	67.6 Å²	67.6	27%	0.267	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.1	178.5	-57.7	-177.4	0	0	0	108.5	K244 Y246 T613	K244-I608 WeakPolarHBondContact O-CD1 3.17Å; Y246-I608 WeakPolarHBondContact O-CD1 3.35Å; I608-T613 HydrophobicContact CG1-CG2 4.21Å
609	T	65.3	Low	68.2	Low	74 Å²	74	64.5 Å²	64.5	45%	0.454	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	165	167.6	73.8	0	0	0	0	109.3	H611 G612	T609-H611 PolarHBondContact O-N 3.35Å; T609-H611 VanDerWaalsContact O-N 3.17Å; T609-H611 PolarHBondContact OG1-N 3.21Å; T609-G612 WeakPolarHBondContact CA-O 3.27Å; T609-G612 WeakPolarHBondContact CB-O 3.33Å; T609-G612 PolarHBondContact N-O 2.9Å; T609-G612 PolarHBondContact O-N 3.48Å; T609-G612 PolarHBondContact OG1-N 2.99Å; T609-G612 PolarHBondContact OG1-O 3.09Å
610	L	63.3	Low	69.7	Low	26 Å²	26	64.4 Å²	64.4	14%	0.136	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.3	177	-80	156.6	0	0	0	113.7	L248 V419 L433	L248-L610 HydrophobicContact CD2-CD2 4.08Å; V419-L610 HydrophobicContact CB-CD1 3.99Å; V419-L610 HydrophobicContact CG1-CD1 3.43Å; V419-L610 VanDerWaalsContact CG1-CD1 3.43Å; L433-L610 HydrophobicContact CD2-CD2 3.61Å
611	H	57	Low	71.2	Confident	53 Å²	53	66.8 Å²	66.8	25%	0.245	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-3.8	179.3	-60.7	-58.8	0	0	0	114	T418 V419 T420 G421 T609	T418-H611 PolarHBondContact O-CD2 3.4Å; T418-H611 PolarHBondContact O-NE2 2.79Å; V419-H611 WeakPolarHBondContact CA-NE2 3.37Å; V419-H611 PolarHBondContact O-CE1 3.42Å; V419-H611 PolarHBondContact O-NE2 3.16Å; T420-H611 PolarHBondContact N-NE2 3.42Å; T420-H611 PolarHBondContact O-CE1 2.83Å; T420-H611 VanDerWaalsContact O-CE1 3.31Å; T420-H611 PolarHBondContact O-NE2 3.22Å; G421-H611 VanDerWaalsContact CA-CE1 3.47Å; G421-H611 WeakPolarHBondContact CA-CE1 3.4Å; G421-H611 PolarHBondContact N-CE1 3.06Å; T609-H611 PolarHBondContact O-N 3.35Å; T609-H611 VanDerWaalsContact O-N 3.17Å; T609-H611 PolarHBondContact OG1-N 3.21Å
612	G	62.1	Low	72.8	Confident	3 Å²	3	67.3 Å²	67.3	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.9	173.8	-175.5	0	0	0	0	0	113.8	Y591 T609	Y591-G612 CarbonylContact O-C 3.39Å; Y591-G612 WeakPolarHBondContact O-CA 3.31Å; T609-G612 WeakPolarHBondContact CA-O 3.27Å; T609-G612 WeakPolarHBondContact CB-O 3.33Å; T609-G612 PolarHBondContact N-O 2.9Å; T609-G612 PolarHBondContact O-N 3.48Å; T609-G612 PolarHBondContact OG1-N 2.99Å; T609-G612 PolarHBondContact OG1-O 3.09Å
613	T	70.9	Confident	74.5	Confident	12 Å²	12	55.7 Å²	55.7	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	171	178.1	64.8	0	0	0	0	110.3	Y591 V593 V606 N607 I608 Q615	Y591-T613 PolarHBondContact O-N 2.98Å; Y591-T613 PolarHBondContact O-OG1 3Å; Y591-T613 VanDerWaalsContact O-OG1 3.13Å; V593-T613 VanDerWaalsContact C-CG2 3.46Å; V606-T613 VanDerWaalsContact CG1-CB 3.49Å; V606-T613 HydrophobicContact CG1-CG2 3.86Å; N607-T613 CarbonylContact O-C 3.53Å; N607-T613 WeakPolarHBondContact O-CA 3.46Å; I608-T613 HydrophobicContact CG1-CG2 4.21Å; T613-Q615 PolarHBondContact O-N 3.23Å; T613-Q615 VanDerWaalsContact O-N 3.14Å; T613-Q615 VanDerWaalsContact OG1-CB 3.3Å; T613-Q615 WeakPolarHBondContact OG1-CB 3.35Å; T613-Q615 PolarHBondContact OG1-N 3.07Å; T613-Q615 VanDerWaalsContact OG1-N 3.1Å; T613-Q615 PolarHBondContact OG1-O 3.08Å
614	S	70.5	Confident	76.1	Confident	52 Å²	52	53.7 Å²	53.7	36%	0.364	27%	0.273	S	S	.	.	S	Bend	trans	-65.7	-2.6	164.6	56.1	0	0	0	0	113.4	N607 F616	N607-S614 PolarHBondContact N-OG 2.85Å; N607-S614 PolarHBondContact O-N 2.92Å; N607-S614 VanDerWaalsContact O-N 3.11Å; S614-F616 WeakPolarHBondContact O-CD1 3.41Å
615	Q	77.5	Confident	77.6	Confident	13 Å²	13	58.3 Å²	58.3	6%	0.061	29%	0.288	C	S	.	.			trans	-88	131.8	173.7	-54.6	-177.8	-55.3	0	0	109.9	Y591 H595 V606 T613	Y591-Q615 HydrophobicContact CD2-CB 4.08Å; Y591-Q615 PolarHBondContact N-O 3.38Å; Y591-Q615 VanDerWaalsContact N-O 3.12Å; H595-Q615 PolarHBondContact O-NE2 2.98Å; V606-Q615 HydrophobicContact CG1-CG 4.04Å; V606-Q615 HydrophobicContact CG2-CG 3.98Å; T613-Q615 PolarHBondContact O-N 3.23Å; T613-Q615 VanDerWaalsContact O-N 3.14Å; T613-Q615 VanDerWaalsContact OG1-CB 3.3Å; T613-Q615 WeakPolarHBondContact OG1-CB 3.35Å; T613-Q615 PolarHBondContact OG1-N 3.07Å; T613-Q615 VanDerWaalsContact OG1-N 3.1Å; T613-Q615 PolarHBondContact OG1-O 3.08Å
616	F	84.7	Confident	79.1	Confident	93 Å²	93	57.7 Å²	57.7	41%	0.408	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.8	176.2	50.4	-88.3	0	0	0	110.4	Q588 Y589 S614 V618	Q588-F616 HydrophobicContact CB-CB 4.42Å; Q588-F616 HydrophobicContact CB-CD2 4.46Å; Q588-F616 HydrophobicContact CG-CD2 4.02Å; Y589-F616 CarbonylContact O-C 3.17Å; Y589-F616 WeakPolarHBondContact O-CA 3.37Å; Y589-F616 WeakPolarHBondContact O-CB 3.48Å; S614-F616 WeakPolarHBondContact O-CD1 3.41Å; F616-V618 HydrophobicContact CD2-CG2 3.53Å; F616-V618 HydrophobicContact CE2-CG2 3.36Å; F616-V618 PolarHBondContact O-N 2.8Å
617	Y	88.3	Confident	80.7	Confident	28 Å²	28	57.6 Å²	57.6	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	118.3	168	178.2	-109.8	0	0	0	109	G266 L267 Y511 Y589 Y591 Y619 P620	G266-Y617 WeakPolarHBondContact CA-OH 3.5Å; L267-Y617 PolarHBondContact N-OH 3.17Å; Y511-Y617 AromaticContact CD1-CD1 3.55Å; Y511-Y617 HydrophobicContact CD1-CD1 3.55Å; Y511-Y617 HydrophobicContact CD1-CE1 4.03Å; Y511-Y617 AromaticContact CD1-CG 3.9Å; Y511-Y617 HydrophobicContact CD1-CG 3.9Å; Y511-Y617 AromaticContact CE1-CD1 3.84Å; Y511-Y617 HydrophobicContact CE1-CD1 3.84Å; Y511-Y617 HydrophobicContact CE1-CD2 4.21Å; Y511-Y617 AromaticContact CE1-CG 3.67Å; Y511-Y617 HydrophobicContact CE1-CG 3.67Å; Y511-Y617 HydrophobicContact CG-CD1 4.15Å; Y511-Y617 HydrophobicContact CG-CE1 4.15Å; Y589-Y617 PolarHBondContact N-O 2.6Å; Y589-Y617 PolarHBondContact O-N 3.36Å; Y591-Y617 WeakPolarHBondContact OH-CB 3.45Å; Y617-Y619 HydrophobicContact CD1-CD1 4.31Å; Y617-Y619 AromaticContact CD1-CD2 3.6Å; Y617-Y619 HydrophobicContact CD1-CD2 3.6Å; Y617-Y619 HydrophobicContact CD1-CE1 4.23Å; Y617-Y619 AromaticContact CD1-CE2 3.52Å; Y617-Y619 HydrophobicContact CD1-CE2 3.52Å; Y617-Y619 HydrophobicContact CD1-CG 4.01Å; Y617-Y619 AromaticContact CD1-CZ 3.83Å; Y617-Y619 AromaticContact CE1-CD1 3.75Å; Y617-Y619 HydrophobicContact CE1-CD1 3.75Å; Y617-Y619 AromaticContact CE1-CD2 3.82Å; Y617-Y619 HydrophobicContact CE1-CD2 3.82Å; Y617-Y619 AromaticContact CE1-CE1 3.88Å; Y617-Y619 HydrophobicContact CE1-CE1 3.88Å; Y617-Y619 AromaticContact CE1-CE2 3.97Å; Y617-Y619 HydrophobicContact CE1-CE2 3.97Å; Y617-Y619 AromaticContact CE1-CG 3.72Å; Y617-Y619 HydrophobicContact CE1-CG 3.72Å; Y617-Y619 AromaticContact CE1-CZ 3.98Å; Y617-P620 WeakPolarHBondContact OH-CD 3.42Å
618	V	87.8	Confident	82	Confident	91 Å²	91	58.5 Å²	58.5	55%	0.552	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	115.9	171.7	-178.6	0	0	0	0	108.3	F616	F616-V618 HydrophobicContact CD2-CG2 3.53Å; F616-V618 HydrophobicContact CE2-CG2 3.36Å; F616-V618 PolarHBondContact O-N 2.8Å
619	Y	93.1	Very high	83.5	Confident	10 Å²	10	59.7 Å²	59.7	4%	0.039	29%	0.289	C	S	.	.			trans	-66.7	138.8	177.3	-77.5	-104.1	0	0	0	110.9	L267 Y511 N514 L515 L587 Y617 S623	L267-Y619 HydrophobicContact CD1-CD1 3.69Å; L267-Y619 HydrophobicContact CD1-CE1 4.05Å; L267-Y619 HydrophobicContact CG-CD1 4.33Å; L267-Y619 HydrophobicContact CG-CE1 4.37Å; Y511-Y619 VanDerWaalsContact CA-OH 3.23Å; Y511-Y619 WeakPolarHBondContact CA-OH 3.47Å; Y511-Y619 WeakPolarHBondContact O-CE1 3.34Å; Y511-Y619 PolarHBondContact O-OH 3.49Å; N514-Y619 WeakPolarHBondContact CB-OH 3.47Å; N514-Y619 PolarHBondContact ND2-OH 3.33Å; N514-Y619 VanDerWaalsContact ND2-OH 3.14Å; L515-Y619 HydrophobicContact CB-CE1 4.16Å; L587-Y619 HydrophobicContact CB-CD2 4.42Å; L587-Y619 HydrophobicContact CD1-CE2 4.39Å; L587-Y619 HydrophobicContact CD2-CD1 3.33Å; L587-Y619 HydrophobicContact CD2-CD2 3.83Å; L587-Y619 HydrophobicContact CD2-CE1 3.86Å; L587-Y619 HydrophobicContact CD2-CE2 4.29Å; L587-Y619 HydrophobicContact CD2-CG 3.31Å; L587-Y619 HydrophobicContact CG-CD1 4Å; L587-Y619 HydrophobicContact CG-CD2 3.58Å; L587-Y619 HydrophobicContact CG-CE1 4.27Å; L587-Y619 HydrophobicContact CG-CE2 3.87Å; L587-Y619 HydrophobicContact CG-CG 3.64Å; L587-Y619 VanDerWaalsContact O-CD2 3.27Å; L587-Y619 WeakPolarHBondContact O-CD2 3.45Å; Y617-Y619 HydrophobicContact CD1-CD1 4.31Å; Y617-Y619 AromaticContact CD1-CD2 3.6Å; Y617-Y619 HydrophobicContact CD1-CD2 3.6Å; Y617-Y619 HydrophobicContact CD1-CE1 4.23Å; Y617-Y619 AromaticContact CD1-CE2 3.52Å; Y617-Y619 HydrophobicContact CD1-CE2 3.52Å; Y617-Y619 HydrophobicContact CD1-CG 4.01Å; Y617-Y619 AromaticContact CD1-CZ 3.83Å; Y617-Y619 AromaticContact CE1-CD1 3.75Å; Y617-Y619 HydrophobicContact CE1-CD1 3.75Å; Y617-Y619 AromaticContact CE1-CD2 3.82Å; Y617-Y619 HydrophobicContact CE1-CD2 3.82Å; Y617-Y619 AromaticContact CE1-CE1 3.88Å; Y617-Y619 HydrophobicContact CE1-CE1 3.88Å; Y617-Y619 AromaticContact CE1-CE2 3.97Å; Y617-Y619 HydrophobicContact CE1-CE2 3.97Å; Y617-Y619 AromaticContact CE1-CG 3.72Å; Y617-Y619 HydrophobicContact CE1-CG 3.72Å; Y617-Y619 AromaticContact CE1-CZ 3.98Å; Y619-S623 WeakPolarHBondContact CB-OG 3.37Å
620	P	93.8	Very high	84.8	Confident	26 Å²	26	57.9 Å²	57.9	17%	0.169	28%	0.275	C	S	.	.			trans	-64.5	145.6	177.6	28.7	-35.5	0	0	0	110	L267 Y617 W622 S623	L267-P620 HydrophobicContact CD1-CG 4.38Å; Y617-P620 WeakPolarHBondContact OH-CD 3.42Å; P620-W622 HydrophobicContact CB-CD2 4.45Å; P620-W622 HydrophobicContact CB-CG 4.21Å; P620-W622 VanDerWaalsContact CB-NE1 3.3Å; P620-W622 HydrophobicContact CG-CD2 4.04Å; P620-W622 HydrophobicContact CG-CG 4.32Å; P620-W622 HydrophobicContact CG-CZ2 3.64Å; P620-W622 VanDerWaalsContact CG-NE1 3.29Å; P620-W622 PolarHBondContact O-N 2.9Å; P620-S623 WeakPolarHBondContact O-CB 3.33Å; P620-S623 PolarHBondContact O-N 3.34Å; P620-S623 PolarHBondContact O-OG 2.58Å
621	K	92.1	Very high	86.1	Confident	174 Å²	174	57 Å²	57	76%	0.757	27%	0.271	S	S	*	.	H	α-helix	trans	-55.7	-31.3	-175.5	-65.4	-177.6	-178.8	178.2	0	113.1	S623 I624 Y625	K621-S623 PolarHBondContact O-N 3.29Å; K621-I624 PolarHBondContact O-N 2.86Å; K621-Y625 VanDerWaalsContact O-CD2 3.22Å; K621-Y625 WeakPolarHBondContact O-CD2 3.24Å
622	W	94.8	Very high	87.9	Confident	114 Å²	114	55.9 Å²	55.9	43%	0.432	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-30.3	176.7	67.1	-109.2	0	0	0	112.8	L267 E268 P620 I624 Y625 L626	L267-W622 HydrophobicContact CB-CH2 3.76Å; L267-W622 HydrophobicContact CB-CZ2 3.85Å; L267-W622 HydrophobicContact CD1-CH2 3.95Å; L267-W622 HydrophobicContact CD1-CZ2 4.39Å; L267-W622 HydrophobicContact CD1-CZ3 4.48Å; E268-W622 HydrophobicContact CG-CZ2 4.02Å; E268-W622 PolarHBondContact OE1-NE1 3.04Å; E268-W622 VanDerWaalsContact OE1-NE1 3.09Å; P620-W622 HydrophobicContact CB-CD2 4.45Å; P620-W622 HydrophobicContact CB-CG 4.21Å; P620-W622 VanDerWaalsContact CB-NE1 3.3Å; P620-W622 HydrophobicContact CG-CD2 4.04Å; P620-W622 HydrophobicContact CG-CG 4.32Å; P620-W622 HydrophobicContact CG-CZ2 3.64Å; P620-W622 VanDerWaalsContact CG-NE1 3.29Å; P620-W622 PolarHBondContact O-N 2.9Å; W622-I624 VanDerWaalsContact C-N 3.32Å; W622-I624 PolarHBondContact O-N 3.2Å; W622-Y625 PolarHBondContact O-N 3.14Å; W622-L626 HydrophobicContact CE3-CB 4.45Å; W622-L626 HydrophobicContact CZ3-CB 4.5Å; W622-L626 HydrophobicContact CZ3-CD2 3.79Å; W622-L626 PolarHBondContact O-N 3.47Å
623	S	94	Very high	89.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-73.3	-25.7	-177.9	76.2	0	0	0	0	112.5	L267 L515 Y619 P620 K621 L626 G627	L267-S623 VanDerWaalsContact CD1-CB 3.43Å; L515-S623 WeakPolarHBondContact CD1-O 3.32Å; Y619-S623 WeakPolarHBondContact CB-OG 3.37Å; P620-S623 WeakPolarHBondContact O-CB 3.33Å; P620-S623 PolarHBondContact O-N 3.34Å; P620-S623 PolarHBondContact O-OG 2.58Å; K621-S623 PolarHBondContact O-N 3.29Å; S623-L626 WeakPolarHBondContact O-CB 3.47Å; S623-L626 PolarHBondContact O-N 3.33Å; S623-G627 PolarHBondContact O-N 3.02Å
624	I	91.8	Very high	90.5	Very high	64 Å²	64	59.9 Å²	59.9	33%	0.328	29%	0.294	S	S	.	.	H	α-helix	trans	-66.1	-44.7	173.1	-62.6	173	0	0	0	109.6	K621 W622 L626 G627 W628	K621-I624 PolarHBondContact O-N 2.86Å; W622-I624 VanDerWaalsContact C-N 3.32Å; W622-I624 PolarHBondContact O-N 3.2Å; I624-L626 VanDerWaalsContact C-N 3.32Å; I624-L626 PolarHBondContact O-N 3.33Å; I624-G627 PolarHBondContact O-N 3.46Å; I624-W628 VanDerWaalsContact O-CD1 3.25Å; I624-W628 PolarHBondContact O-N 3.26Å
625	Y	93.5	Very high	91.7	Very high	170 Å²	170	58.9 Å²	58.9	67%	0.667	28%	0.284	S	S	*	.	H	α-helix	trans	-62.1	-42.3	173.2	-60.6	-72.6	0	0	0	110.9	K621 W622 G627 W628 T629	K621-Y625 VanDerWaalsContact O-CD2 3.22Å; K621-Y625 WeakPolarHBondContact O-CD2 3.24Å; W622-Y625 PolarHBondContact O-N 3.14Å; Y625-G627 PolarHBondContact O-N 3.49Å; Y625-W628 PolarHBondContact O-N 2.95Å; Y625-T629 VanDerWaalsContact O-CG2 3.23Å; Y625-T629 WeakPolarHBondContact O-CG2 3.4Å; Y625-T629 PolarHBondContact O-N 3.07Å; Y625-T629 PolarHBondContact O-OG1 3.22Å
626	L	94.3	Very high	92.6	Very high	71 Å²	71	60.5 Å²	60.5	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-56.9	-49.4	174.2	-179.2	62.5	0	0	0	111.4	L515 W622 S623 I624 W628 T629 M630	L515-L626 HydrophobicContact CD2-CD2 4.16Å; W622-L626 HydrophobicContact CE3-CB 4.45Å; W622-L626 HydrophobicContact CZ3-CB 4.5Å; W622-L626 HydrophobicContact CZ3-CD2 3.79Å; W622-L626 PolarHBondContact O-N 3.47Å; S623-L626 WeakPolarHBondContact O-CB 3.47Å; S623-L626 PolarHBondContact O-N 3.33Å; I624-L626 VanDerWaalsContact C-N 3.32Å; I624-L626 PolarHBondContact O-N 3.33Å; L626-W628 PolarHBondContact O-N 2.65Å; L626-T629 WeakPolarHBondContact CA-OG1 3.31Å; L626-T629 PolarHBondContact O-N 3.48Å; L626-T629 VanDerWaalsContact O-N 3.12Å; L626-T629 PolarHBondContact O-OG1 3.07Å; L626-M630 HydrophobicContact CD1-CG 4.39Å; L626-M630 HydrophobicContact CD1-SD 4.29Å; L626-M630 HydrophobicContact CG-SD 3.92Å; L626-M630 VanDerWaalsContact O-CG 3.29Å; L626-M630 WeakPolarHBondContact O-CG 3.42Å; L626-M630 PolarHBondContact O-N 3.18Å
627	G	93	Very high	93.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.2	-49.6	177.3	0	0	0	0	0	112.7	Y519 S623 I624 Y625 T629 M630 S631	Y519-G627 WeakPolarHBondContact CB-O 3.42Å; S623-G627 PolarHBondContact O-N 3.02Å; I624-G627 PolarHBondContact O-N 3.46Å; Y625-G627 PolarHBondContact O-N 3.49Å; G627-T629 VanDerWaalsContact C-N 3.32Å; G627-T629 PolarHBondContact O-N 3.17Å; G627-M630 WeakPolarHBondContact O-CB 3.32Å; G627-M630 PolarHBondContact O-N 3.02Å; G627-S631 PolarHBondContact O-N 3.35Å
628	W	92.9	Very high	93.5	Very high	103 Å²	103	57.3 Å²	57.3	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-32.9	176.1	-75.5	116.7	0	0	0	113.2	Y519 L581 I624 Y625 L626 G632	Y519-W628 HydrophobicContact CD1-CD2 4.05Å; Y519-W628 HydrophobicContact CD1-CE3 4.42Å; Y519-W628 HydrophobicContact CD1-CG 4.35Å; Y519-W628 HydrophobicContact CD1-CZ2 4.37Å; Y519-W628 AromaticContact CE1-CD1 3.98Å; Y519-W628 HydrophobicContact CE1-CD2 4.06Å; Y519-W628 AromaticContact CE1-CE2 3.61Å; Y519-W628 HydrophobicContact CE1-CG 4.28Å; Y519-W628 AromaticContact CE1-CZ2 3.97Å; Y519-W628 HydrophobicContact CE1-CZ2 3.97Å; Y519-W628 AromaticContact CE1-NE1 3.58Å; L581-W628 HydrophobicContact CD2-CH2 3.75Å; L581-W628 HydrophobicContact CD2-CZ3 4.07Å; I624-W628 VanDerWaalsContact O-CD1 3.25Å; I624-W628 PolarHBondContact O-N 3.26Å; Y625-W628 PolarHBondContact O-N 2.95Å; L626-W628 PolarHBondContact O-N 2.65Å; W628-G632 WeakPolarHBondContact O-CA 3.38Å; W628-G632 PolarHBondContact O-N 3.19Å
629	T	93.4	Very high	93.8	Very high	77 Å²	77	56.7 Å²	56.7	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-67.6	-38.9	173	60.8	0	0	0	0	111.8	Y625 L626 G627 G632 I633	Y625-T629 VanDerWaalsContact O-CG2 3.23Å; Y625-T629 WeakPolarHBondContact O-CG2 3.4Å; Y625-T629 PolarHBondContact O-N 3.07Å; Y625-T629 PolarHBondContact O-OG1 3.22Å; L626-T629 WeakPolarHBondContact CA-OG1 3.31Å; L626-T629 PolarHBondContact O-N 3.48Å; L626-T629 VanDerWaalsContact O-N 3.12Å; L626-T629 PolarHBondContact O-OG1 3.07Å; G627-T629 VanDerWaalsContact C-N 3.32Å; G627-T629 PolarHBondContact O-N 3.17Å; T629-G632 CarbonylContact O-C 3.6Å; T629-G632 PolarHBondContact O-N 2.94Å; T629-I633 VanDerWaalsContact O-CG1 3.31Å; T629-I633 WeakPolarHBondContact O-CG1 3.19Å; T629-I633 PolarHBondContact O-N 3.15Å
630	M	91.6	Very high	93.9	Very high	36 Å²	36	60.2 Å²	60.2	18%	0.177	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-44	176.2	-66.5	166	72	0	0	111.3	M516 M520 L626 G627 G632	M516-M630 HydrophobicContact CE-CE 4Å; M516-M630 HydrophobicContact CG-CE 3.85Å; M520-M630 HydrophobicContact CE-CB 4.41Å; M520-M630 HydrophobicContact CE-CE 3.5Å; M520-M630 HydrophobicContact CG-CB 4.24Å; M520-M630 HydrophobicContact CG-CE 3.75Å; M520-M630 HydrophobicContact SD-CE 3.42Å; M520-M630 WeakPolarHBondContact SD-CE 3.33Å; L626-M630 HydrophobicContact CD1-CG 4.39Å; L626-M630 HydrophobicContact CD1-SD 4.29Å; L626-M630 HydrophobicContact CG-SD 3.92Å; L626-M630 VanDerWaalsContact O-CG 3.29Å; L626-M630 WeakPolarHBondContact O-CG 3.42Å; L626-M630 PolarHBondContact O-N 3.18Å; G627-M630 WeakPolarHBondContact O-CB 3.32Å; G627-M630 PolarHBondContact O-N 3.02Å; M630-G632 VanDerWaalsContact C-N 3.35Å
631	S	92.2	Very high	93.9	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-40.7	171.7	-151.4	0	0	0	0	112	Y519 G627 I633 S634 I635	Y519-S631 WeakPolarHBondContact O-CB 3.4Å; Y519-S631 PolarHBondContact O-OG 3.17Å; G627-S631 PolarHBondContact O-N 3.35Å; S631-I633 PolarHBondContact O-N 2.97Å; S631-S634 PolarHBondContact O-OG 2.82Å; S631-I635 PolarHBondContact O-N 3.43Å
632	G	93.6	Very high	94	Very high	31 Å²	31	55.3 Å²	55.3	32%	0.32	28%	0.279	S	S	.	.	H	α-helix	trans	-66.7	-31	-179.7	0	0	0	0	0	113.6	W628 T629 M630 S634 I635 S636	W628-G632 WeakPolarHBondContact O-CA 3.38Å; W628-G632 PolarHBondContact O-N 3.19Å; T629-G632 CarbonylContact O-C 3.6Å; T629-G632 PolarHBondContact O-N 2.94Å; M630-G632 VanDerWaalsContact C-N 3.35Å; G632-S634 PolarHBondContact O-N 3.23Å; G632-I635 PolarHBondContact O-N 3.13Å; G632-S636 WeakPolarHBondContact O-CA 3.46Å; G632-S636 WeakPolarHBondContact O-CB 3.38Å; G632-S636 PolarHBondContact O-N 3.27Å; G632-S636 PolarHBondContact O-OG 3.41Å
633	I	94.3	Very high	93.8	Very high	96 Å²	96	55.5 Å²	55.5	49%	0.492	28%	0.283	S	S	.	.	H	α-helix	trans	-59.1	-46.9	178.4	-75.5	162.9	0	0	0	110.9	T629 S631 S636 M637	T629-I633 VanDerWaalsContact O-CG1 3.31Å; T629-I633 WeakPolarHBondContact O-CG1 3.19Å; T629-I633 PolarHBondContact O-N 3.15Å; S631-I633 PolarHBondContact O-N 2.97Å; I633-S636 PolarHBondContact O-OG 3.38Å; I633-M637 WeakPolarHBondContact O-CE 3.1Å
634	S	94.2	Very high	93.6	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.014	30%	0.302	C	S	.	.	H	α-helix	trans	-68.5	-47.3	178.3	55.2	0	0	0	0	111.3	A174 S631 G632 S636 M637	A174-S634 WeakPolarHBondContact CB-O 3.44Å; S631-S634 PolarHBondContact O-OG 2.82Å; G632-S634 PolarHBondContact O-N 3.23Å; S634-S636 PolarHBondContact O-N 3.16Å; S634-M637 WeakPolarHBondContact O-CB 3.45Å; S634-M637 PolarHBondContact O-N 3.28Å
635	I	95.1	Very high	93.4	Very high	31 Å²	31	56.2 Å²	56.2	16%	0.159	29%	0.287	C	S	.	.	H	α-helix	trans	-68.9	-34.4	-176.7	-65.2	-50	0	0	0	113.5	A524 I527 S631 G632 M637 I638 P639	A524-I635 HydrophobicContact CB-CD1 3.92Å; A524-I635 HydrophobicContact CB-CG1 3.79Å; A524-I635 VanDerWaalsContact O-CD1 3.25Å; A524-I635 WeakPolarHBondContact O-CD1 3.46Å; I527-I635 HydrophobicContact CB-CD1 3.78Å; I527-I635 HydrophobicContact CB-CG1 4.38Å; I527-I635 HydrophobicContact CD1-CG1 4.35Å; I527-I635 HydrophobicContact CD1-CG2 4.43Å; I527-I635 HydrophobicContact CG2-CD1 3.77Å; I527-I635 HydrophobicContact CG2-CG1 4.36Å; I527-I635 HydrophobicContact CG2-CG2 3.93Å; S631-I635 PolarHBondContact O-N 3.43Å; G632-I635 PolarHBondContact O-N 3.13Å; I635-M637 PolarHBondContact O-N 3.23Å; I635-M637 VanDerWaalsContact O-N 3.11Å; I635-I638 HydrophobicContact CD1-CD1 4.36Å; I635-I638 WeakPolarHBondContact O-CB 3.42Å; I635-I638 PolarHBondContact O-N 3.48Å; I635-P639 VanDerWaalsContact O-CD 3.22Å; I635-P639 WeakPolarHBondContact O-CD 3.43Å
636	S	95.9	Very high	93	Very high	48 Å²	48	49.5 Å²	49.5	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-23.2	178.7	67.5	0	0	0	0	112.9	G632 I633 S634 I638 P639 L640	G632-S636 WeakPolarHBondContact O-CA 3.46Å; G632-S636 WeakPolarHBondContact O-CB 3.38Å; G632-S636 PolarHBondContact O-N 3.27Å; G632-S636 PolarHBondContact O-OG 3.41Å; I633-S636 PolarHBondContact O-OG 3.38Å; S634-S636 PolarHBondContact O-N 3.16Å; S636-I638 PolarHBondContact O-N 2.87Å; S636-P639 VanDerWaalsContact O-CD 3.27Å; S636-P639 WeakPolarHBondContact O-CD 3.43Å; S636-P639 WeakPolarHBondContact O-CG 3.46Å; S636-L640 WeakPolarHBondContact O-CB 3.49Å; S636-L640 PolarHBondContact O-N 3.47Å
637	M	95.9	Very high	92.7	Very high	42 Å²	42	49.8 Å²	49.8	21%	0.207	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-30.6	176.5	-62.1	-62.7	133.8	0	0	112.4	G170 I173 I177 I633 S634 I635 L640 V641	G170-M637 VanDerWaalsContact CA-O 3.31Å; G170-M637 WeakPolarHBondContact CA-O 3.43Å; I173-M637 HydrophobicContact CB-CB 4.18Å; I173-M637 HydrophobicContact CB-CG 4.4Å; I173-M637 HydrophobicContact CG2-CB 4.06Å; I173-M637 HydrophobicContact CG2-CG 3.72Å; I173-M637 HydrophobicContact CG2-SD 4.14Å; I177-M637 HydrophobicContact CD1-CG 3.89Å; I633-M637 WeakPolarHBondContact O-CE 3.1Å; S634-M637 WeakPolarHBondContact O-CB 3.45Å; S634-M637 PolarHBondContact O-N 3.28Å; I635-M637 PolarHBondContact O-N 3.23Å; I635-M637 VanDerWaalsContact O-N 3.11Å; M637-L640 HydrophobicContact CE-CD2 4.31Å; M637-L640 HydrophobicContact SD-CD2 4.19Å; M637-V641 WeakPolarHBondContact O-CB 3.45Å; M637-V641 VanDerWaalsContact O-CG2 3.25Å; M637-V641 WeakPolarHBondContact O-CG2 3.4Å; M637-V641 PolarHBondContact O-N 3.23Å
638	I	95.9	Very high	92.2	Very high	11 Å²	11	54.6 Å²	54.6	6%	0.056	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-61.9	179.5	-58	174.7	0	0	0	110.9	V171 A174 I527 F531 I635 S636 L640 F642	V171-I638 HydrophobicContact CG2-CD1 4.3Å; V171-I638 HydrophobicContact CG2-CG1 4.2Å; V171-I638 HydrophobicContact CG2-CG2 4.35Å; A174-I638 HydrophobicContact CB-CD1 4.46Å; A174-I638 HydrophobicContact CB-CG1 4.29Å; I527-I638 HydrophobicContact CG2-CD1 4.46Å; F531-I638 HydrophobicContact CB-CD1 4.27Å; F531-I638 HydrophobicContact CD1-CG2 4.2Å; F531-I638 HydrophobicContact CD2-CD1 3.74Å; F531-I638 HydrophobicContact CD2-CG2 4.12Å; F531-I638 HydrophobicContact CE1-CG2 4.46Å; F531-I638 HydrophobicContact CE2-CD1 4.46Å; F531-I638 HydrophobicContact CE2-CG2 4.38Å; F531-I638 HydrophobicContact CG-CD1 4.23Å; F531-I638 HydrophobicContact CG-CG2 4.02Å; I635-I638 HydrophobicContact CD1-CD1 4.36Å; I635-I638 WeakPolarHBondContact O-CB 3.42Å; I635-I638 PolarHBondContact O-N 3.48Å; S636-I638 PolarHBondContact O-N 2.87Å; I638-L640 PolarHBondContact O-N 2.96Å; I638-F642 WeakPolarHBondContact O-CB 3.3Å; I638-F642 PolarHBondContact O-N 3.02Å; I638-F642 VanDerWaalsContact O-N 3.13Å
639	P	95.7	Very high	91.3	Very high	78 Å²	78	51 Å²	51	51%	0.506	28%	0.277	S	S	.	.	H	α-helix	trans	-68.2	-32.6	177.7	27.7	-35.2	0	0	0	113	I635 S636 F642 F643	I635-P639 VanDerWaalsContact O-CD 3.22Å; I635-P639 WeakPolarHBondContact O-CD 3.43Å; S636-P639 VanDerWaalsContact O-CD 3.27Å; S636-P639 WeakPolarHBondContact O-CD 3.43Å; S636-P639 WeakPolarHBondContact O-CG 3.46Å; P639-F642 WeakPolarHBondContact O-CB 3.3Å; P639-F642 PolarHBondContact O-N 3.03Å; P639-F643 WeakPolarHBondContact O-CB 3.4Å; P639-F643 PolarHBondContact O-N 2.65Å
640	L	95.1	Very high	90.1	Very high	85 Å²	85	48.8 Å²	48.8	45%	0.445	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-50.8	178.8	178.9	65.1	0	0	0	111.3	S636 M637 I638 F643 I644	S636-L640 WeakPolarHBondContact O-CB 3.49Å; S636-L640 PolarHBondContact O-N 3.47Å; M637-L640 HydrophobicContact CE-CD2 4.31Å; M637-L640 HydrophobicContact SD-CD2 4.19Å; I638-L640 PolarHBondContact O-N 2.96Å; L640-F643 PolarHBondContact O-N 3.05Å; L640-I644 HydrophobicContact CD1-CD1 4.08Å; L640-I644 HydrophobicContact CG-CD1 3.94Å; L640-I644 VanDerWaalsContact O-CG1 3.27Å; L640-I644 WeakPolarHBondContact O-CG1 3.25Å; L640-I644 PolarHBondContact O-N 3.42Å
641	V	93.6	Very high	88.6	Confident	14 Å²	14	54.3 Å²	54.3	9%	0.085	29%	0.292	C	S	.	.	H	α-helix	trans	-66.6	-40.8	178.5	173.1	0	0	0	0	111.1	R169 I173 M637 F643 I644 V645	R169-V641 HydrophobicContact CB-CG1 3.97Å; I173-V641 HydrophobicContact CD1-CG2 4Å; M637-V641 WeakPolarHBondContact O-CB 3.45Å; M637-V641 VanDerWaalsContact O-CG2 3.25Å; M637-V641 WeakPolarHBondContact O-CG2 3.4Å; M637-V641 PolarHBondContact O-N 3.23Å; V641-F643 VanDerWaalsContact C-N 3.3Å; V641-F643 PolarHBondContact O-N 3.08Å; V641-I644 PolarHBondContact O-N 3.26Å; V641-V645 HydrophobicContact CG1-CG2 4.3Å; V641-V645 WeakPolarHBondContact O-CG2 3.37Å; V641-V645 PolarHBondContact O-N 3.28Å
642	F	92.6	Very high	86.5	Confident	82 Å²	82	64.1 Å²	64.1	36%	0.36	33%	0.333	S	S	.	.	H	α-helix	trans	-53.2	-49.3	174	-178.1	-77.1	0	0	0	111.1	M167 I638 P639 V645 L646	M167-F642 HydrophobicContact CE-CE2 4.13Å; M167-F642 HydrophobicContact CE-CZ 4.19Å; M167-F642 HydrophobicContact CG-CB 4.42Å; M167-F642 HydrophobicContact CG-CD2 3.18Å; M167-F642 HydrophobicContact CG-CE2 3.49Å; M167-F642 VanDerWaalsContact CG-CE2 3.49Å; M167-F642 HydrophobicContact CG-CG 3.91Å; M167-F642 HydrophobicContact CG-CZ 4.39Å; M167-F642 HydrophobicContact SD-CD2 3.53Å; M167-F642 VanDerWaalsContact SD-CD2 3.53Å; M167-F642 HydrophobicContact SD-CE2 3.08Å; M167-F642 WeakPolarHBondContact SD-CE2 3.31Å; M167-F642 HydrophobicContact SD-CG 4.44Å; M167-F642 HydrophobicContact SD-CZ 3.68Å; I638-F642 WeakPolarHBondContact O-CB 3.3Å; I638-F642 PolarHBondContact O-N 3.02Å; I638-F642 VanDerWaalsContact O-N 3.13Å; P639-F642 WeakPolarHBondContact O-CB 3.3Å; P639-F642 PolarHBondContact O-N 3.03Å; F642-V645 PolarHBondContact O-N 3.02Å; F642-L646 WeakPolarHBondContact O-CB 3.32Å; F642-L646 PolarHBondContact O-N 3.33Å
643	F	91.6	Very high	84.5	Confident	119 Å²	119	64.9 Å²	64.9	52%	0.522	33%	0.33	S	S	.	.	H	α-helix	trans	-68	-41.8	-179.3	-173.3	-98.4	0	0	0	112.5	P639 L640 V641 V645 L646 V647	P639-F643 WeakPolarHBondContact O-CB 3.4Å; P639-F643 PolarHBondContact O-N 2.65Å; L640-F643 PolarHBondContact O-N 3.05Å; V641-F643 VanDerWaalsContact C-N 3.3Å; V641-F643 PolarHBondContact O-N 3.08Å; F643-V645 VanDerWaalsContact C-N 3.33Å; F643-V645 PolarHBondContact O-N 2.99Å; F643-L646 WeakPolarHBondContact O-CB 3.31Å; F643-L646 PolarHBondContact O-N 3.15Å; F643-V647 HydrophobicContact CD1-CG2 3.93Å; F643-V647 HydrophobicContact CE1-CG2 3.52Å; F643-V647 HydrophobicContact CE2-CG2 4.18Å; F643-V647 HydrophobicContact CG-CG2 4.43Å; F643-V647 HydrophobicContact CZ-CG2 3.65Å; F643-V647 WeakPolarHBondContact O-CG2 3.02Å; F643-V647 PolarHBondContact O-N 3.4Å
644	I	90.3	Very high	82.5	Confident	77 Å²	77	67.6 Å²	67.6	40%	0.395	34%	0.338	S	S	.	.	H	α-helix	trans	-58.9	-45.1	176.1	-70.8	166.7	0	0	0	110.8	L640 V641 V647 K648 W667	L640-I644 HydrophobicContact CD1-CD1 4.08Å; L640-I644 HydrophobicContact CG-CD1 3.94Å; L640-I644 VanDerWaalsContact O-CG1 3.27Å; L640-I644 WeakPolarHBondContact O-CG1 3.25Å; L640-I644 PolarHBondContact O-N 3.42Å; V641-I644 PolarHBondContact O-N 3.26Å; I644-V647 PolarHBondContact O-N 3.13Å; I644-K648 VanDerWaalsContact O-CB 3.31Å; I644-K648 WeakPolarHBondContact O-CB 3.49Å; I644-K648 PolarHBondContact O-N 2.91Å; I644-W667 HydrophobicContact CG2-CH2 4.49Å
645	V	86.4	Confident	80.5	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.006	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-43.2	177.2	170.6	0	0	0	0	111	M167 V641 F642 F643 K648 N649 V666 W667	M167-V645 HydrophobicContact CB-CG1 4.45Å; V641-V645 HydrophobicContact CG1-CG2 4.3Å; V641-V645 WeakPolarHBondContact O-CG2 3.37Å; V641-V645 PolarHBondContact O-N 3.28Å; F642-V645 PolarHBondContact O-N 3.02Å; F643-V645 VanDerWaalsContact C-N 3.33Å; F643-V645 PolarHBondContact O-N 2.99Å; V645-K648 PolarHBondContact O-N 3.18Å; V645-N649 PolarHBondContact O-N 2.75Å; V645-N649 VanDerWaalsContact O-N 3.13Å; V645-V666 HydrophobicContact CB-CG1 4.33Å; V645-V666 HydrophobicContact CG1-CG1 3.76Å; V645-V666 HydrophobicContact CG2-CG1 3.83Å; V645-W667 HydrophobicContact CG2-CZ3 4.1Å
646	L	86.3	Confident	78.4	Confident	30 Å²	30	74.6 Å²	74.6	16%	0.157	39%	0.387	C	S	.	.	H	α-helix	trans	-61	-46.3	178.1	-170.3	76.2	0	0	0	112.1	F642 F643 G650 F651 I658	F642-L646 WeakPolarHBondContact O-CB 3.32Å; F642-L646 PolarHBondContact O-N 3.33Å; F643-L646 WeakPolarHBondContact O-CB 3.31Å; F643-L646 PolarHBondContact O-N 3.15Å; L646-G650 PolarHBondContact O-N 3.38Å; L646-F651 HydrophobicContact CD2-CD1 4.13Å; L646-F651 HydrophobicContact CD2-CE1 3.59Å; L646-F651 HydrophobicContact CD2-CZ 4.16Å; L646-F651 HydrophobicContact CG-CD1 4.39Å; L646-F651 HydrophobicContact CG-CE1 4.23Å; L646-I658 HydrophobicContact CD1-CD1 4.22Å
647	V	88	Confident	76.3	Confident	77 Å²	77	77.1 Å²	77.1	47%	0.467	39%	0.394	S	S	.	.	H	α-helix	trans	-65.8	-43.7	179.2	171.3	0	0	0	0	111	F643 I644 N649 G650	F643-V647 HydrophobicContact CD1-CG2 3.93Å; F643-V647 HydrophobicContact CE1-CG2 3.52Å; F643-V647 HydrophobicContact CE2-CG2 4.18Å; F643-V647 HydrophobicContact CG-CG2 4.43Å; F643-V647 HydrophobicContact CZ-CG2 3.65Å; F643-V647 WeakPolarHBondContact O-CG2 3.02Å; F643-V647 PolarHBondContact O-N 3.4Å; I644-V647 PolarHBondContact O-N 3.13Å; V647-N649 PolarHBondContact O-N 3.01Å; V647-G650 PolarHBondContact O-N 3.41Å
648	K	82.1	Confident	74.2	Confident	101 Å²	101	75.5 Å²	75.5	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-38.3	-177.4	-173.6	178.6	-177	177.7	0	113.2	I644 V645 V666	I644-K648 VanDerWaalsContact O-CB 3.31Å; I644-K648 WeakPolarHBondContact O-CB 3.49Å; I644-K648 PolarHBondContact O-N 2.91Å; V645-K648 PolarHBondContact O-N 3.18Å; K648-V666 VanDerWaalsContact CE-O 3.24Å; K648-V666 WeakPolarHBondContact CE-O 3.28Å; K648-V666 PolarHBondContact NZ-O 2.86Å
649	N	74.5	Confident	72.1	Confident	28 Å²	28	76.7 Å²	76.7	15%	0.15	39%	0.391	C	S	.	.	H	α-helix	trans	-89.8	-4.2	-177.8	-66.9	-18.8	0	0	0	113.1	V645 V647 I653 M661	V645-N649 PolarHBondContact O-N 2.75Å; V645-N649 VanDerWaalsContact O-N 3.13Å; V647-N649 PolarHBondContact O-N 3.01Å; N649-I653 HydrophobicContact CB-CD1 4.12Å; N649-I653 WeakPolarHBondContact O-CD1 3.47Å; N649-I653 WeakPolarHBondContact O-CG1 3.02Å; N649-M661 HydrophobicContact CB-CE 4.37Å; N649-M661 HydrophobicContact CB-SD 4.36Å; N649-M661 PolarHBondContact ND2-SD 2.91Å
650	G	67.4	Low	69.9	Low	29 Å²	29	77.5 Å²	77.5	30%	0.299	40%	0.398	S	S	.	.			trans	76.1	138.7	-179.2	0	0	0	0	0	113.2	L646 V647 K652 I653	L646-G650 PolarHBondContact O-N 3.38Å; V647-G650 PolarHBondContact O-N 3.41Å; G650-K652 PolarHBondContact O-N 3.46Å; G650-I653 PolarHBondContact O-N 3.06Å
651	F	60.1	Low	67.8	Low	153 Å²	153	74.8 Å²	74.8	67%	0.671	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-12.4	179.1	-74.4	-87.5	0	0	0	115	L646	L646-F651 HydrophobicContact CD2-CD1 4.13Å; L646-F651 HydrophobicContact CD2-CE1 3.59Å; L646-F651 HydrophobicContact CD2-CZ 4.16Å; L646-F651 HydrophobicContact CG-CD1 4.39Å; L646-F651 HydrophobicContact CG-CE1 4.23Å
652	K	48.6	Very low	65.8	Low	211 Å²	211	75.3 Å²	75.3	92%	0.917	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-10.7	-171.8	-73	-171.9	177.8	-178.6	0	114.8	G650	G650-K652 PolarHBondContact O-N 3.46Å
653	I	50.5	Low	63.5	Low	48 Å²	48	73.7 Å²	73.7	25%	0.246	39%	0.39	C	S	.	.	S	Bend	trans	-75.5	131	175.4	-56.7	-175.2	0	0	0	107.5	N649 G650 I655 E657 I658 M661	N649-I653 HydrophobicContact CB-CD1 4.12Å; N649-I653 WeakPolarHBondContact O-CD1 3.47Å; N649-I653 WeakPolarHBondContact O-CG1 3.02Å; G650-I653 PolarHBondContact O-N 3.06Å; I653-I655 PolarHBondContact O-N 3.4Å; I653-E657 HydrophobicContact CG2-CB 3.53Å; I653-I658 HydrophobicContact CB-CD1 4.02Å; I653-I658 HydrophobicContact CB-CG1 3.59Å; I653-I658 HydrophobicContact CG2-CB 4.49Å; I653-I658 HydrophobicContact CG2-CD1 4.36Å; I653-I658 HydrophobicContact CG2-CG1 3.41Å; I653-I658 VanDerWaalsContact CG2-CG1 3.41Å; I653-M661 HydrophobicContact CD1-CE 3.27Å; I653-M661 HydrophobicContact CG2-CE 4.21Å
654	K	52.7	Low	61.1	Low	153 Å²	153	74.3 Å²	74.3	67%	0.665	40%	0.397	S	S	*	.			trans	-54.6	132.6	175.9	-77.6	177.7	-179.7	169	0	107.6	G656 E657 I658	K654-G656 CarbonylContact O-C 3.58Å; K654-G656 PolarHBondContact O-N 3.31Å; K654-E657 HydrophobicContact CB-CB 4.43Å; K654-E657 HydrophobicContact CB-CG 4.28Å; K654-E657 WeakPolarHBondContact O-CA 3.4Å; K654-E657 WeakPolarHBondContact O-CB 3.28Å; K654-E657 PolarHBondContact O-N 2.8Å; K654-I658 PolarHBondContact O-N 2.03Å; K654-I658 VanDerWaalsContact O-N 3.11Å
655	I	52.4	Low	59.3	Low	124 Å²	124	75.2 Å²	75.2	64%	0.636	40%	0.403	S	S	*	.	H	α-helix	trans	-45.1	-38.6	179	-72.8	168.7	0	0	0	111.5	I653 I658 F659	I653-I655 PolarHBondContact O-N 3.4Å; I655-I658 PolarHBondContact O-N 3.29Å; I655-F659 HydrophobicContact CG2-CD2 3.86Å; I655-F659 HydrophobicContact CG2-CE2 3.26Å; I655-F659 HydrophobicContact CG2-CZ 4.22Å; I655-F659 WeakPolarHBondContact O-CD2 3.48Å; I655-F659 PolarHBondContact O-N 3.29Å
656	G	51.4	Low	57.5	Low	55 Å²	55	75.3 Å²	75.3	57%	0.567	40%	0.404	S	S	*	.	H	α-helix	trans	-64.7	-36	174.5	0	0	0	0	0	116	K654 S660	K654-G656 CarbonylContact O-C 3.58Å; K654-G656 PolarHBondContact O-N 3.31Å; G656-S660 PolarHBondContact O-N 3.03Å
657	E	51.2	Low	55.8	Low	102 Å²	102	79.2 Å²	79.2	48%	0.477	42%	0.416	S	S	.	.	H	α-helix	trans	-72.9	-33.6	175.4	-73.5	165.5	-169.6	0	0	111.3	I653 K654 F659 S660 M661	I653-E657 HydrophobicContact CG2-CB 3.53Å; K654-E657 HydrophobicContact CB-CB 4.43Å; K654-E657 HydrophobicContact CB-CG 4.28Å; K654-E657 WeakPolarHBondContact O-CA 3.4Å; K654-E657 WeakPolarHBondContact O-CB 3.28Å; K654-E657 PolarHBondContact O-N 2.8Å; E657-F659 VanDerWaalsContact C-N 3.32Å; E657-F659 PolarHBondContact O-N 2.84Å; E657-S660 WeakPolarHBondContact CA-OG 3.5Å; E657-S660 PolarHBondContact O-N 3.42Å; E657-S660 PolarHBondContact O-OG 3.19Å; E657-M661 PolarHBondContact O-N 3.13Å
658	I	51.3	Low	53.5	Low	8 Å²	8	79.6 Å²	79.6	4%	0.041	42%	0.421	C	S	.	.	H	α-helix	trans	-63.3	-39.1	173.8	-56.2	177.9	0	0	0	110.9	M167 L646 I653 K654 I655 S660 M661	M167-I658 HydrophobicContact CE-CB 4.4Å; M167-I658 HydrophobicContact CE-CG2 3.45Å; M167-I658 VanDerWaalsContact CE-CG2 3.45Å; L646-I658 HydrophobicContact CD1-CD1 4.22Å; I653-I658 HydrophobicContact CB-CD1 4.02Å; I653-I658 HydrophobicContact CB-CG1 3.59Å; I653-I658 HydrophobicContact CG2-CB 4.49Å; I653-I658 HydrophobicContact CG2-CD1 4.36Å; I653-I658 HydrophobicContact CG2-CG1 3.41Å; I653-I658 VanDerWaalsContact CG2-CG1 3.41Å; K654-I658 PolarHBondContact O-N 2.03Å; K654-I658 VanDerWaalsContact O-N 3.11Å; I655-I658 PolarHBondContact O-N 3.29Å; I658-S660 VanDerWaalsContact C-N 3.27Å; I658-S660 PolarHBondContact O-N 3.41Å; I658-M661 HydrophobicContact CG2-SD 4.4Å; I658-M661 WeakPolarHBondContact O-CB 3.46Å; I658-M661 PolarHBondContact O-N 3.27Å
659	F	52.2	Low	51.4	Low	36 Å²	36	80 Å²	80	16%	0.158	43%	0.431	C	S	.	.	H	α-helix	trans	-70.7	-20.7	177.6	-71.2	-59.6	0	0	0	114	M167 F168 F539 I655 E657	M167-F659 HydrophobicContact CE-CE1 4.4Å; M167-F659 HydrophobicContact CG-CE1 4.4Å; M167-F659 HydrophobicContact SD-CD1 4.13Å; M167-F659 HydrophobicContact SD-CE1 3.24Å; M167-F659 WeakPolarHBondContact SD-CE1 3.41Å; M167-F659 HydrophobicContact SD-CZ 3.56Å; M167-F659 VanDerWaalsContact SD-CZ 3.56Å; F168-F659 AromaticContact CE2-CE1 3.88Å; F168-F659 HydrophobicContact CE2-CE1 3.88Å; F539-F659 HydrophobicContact CB-CD1 4.08Å; F539-F659 HydrophobicContact CB-CE1 4.32Å; F539-F659 AromaticContact CD1-CD1 3.57Å; F539-F659 HydrophobicContact CD1-CD1 3.57Å; F539-F659 AromaticContact CD1-CD2 3.68Å; F539-F659 HydrophobicContact CD1-CD2 3.68Å; F539-F659 AromaticContact CD1-CE1 3.27Å; F539-F659 HydrophobicContact CD1-CE1 3.27Å; F539-F659 AromaticContact CD1-CE2 3.37Å; F539-F659 HydrophobicContact CD1-CE2 3.37Å; F539-F659 AromaticContact CD1-CG 3.8Å; F539-F659 HydrophobicContact CD1-CG 3.8Å; F539-F659 AromaticContact CD1-CZ 3.2Å; F539-F659 HydrophobicContact CD1-CZ 3.2Å; F539-F659 HydrophobicContact CE1-CD1 4.35Å; F539-F659 HydrophobicContact CE1-CD2 4.06Å; F539-F659 AromaticContact CE1-CE1 3.66Å; F539-F659 HydrophobicContact CE1-CE1 3.66Å; F539-F659 AromaticContact CE1-CE2 3.29Å; F539-F659 HydrophobicContact CE1-CE2 3.29Å; F539-F659 AromaticContact CE1-CZ 3.09Å; F539-F659 HydrophobicContact CE1-CZ 3.09Å; F539-F659 HydrophobicContact CG-CD1 4.12Å; F539-F659 AromaticContact CG-CE1 3.9Å; F539-F659 HydrophobicContact CG-CE1 3.9Å; F539-F659 HydrophobicContact CG-CZ 4.21Å; F539-F659 HydrophobicContact CZ-CZ 4.04Å; I655-F659 HydrophobicContact CG2-CD2 3.86Å; I655-F659 HydrophobicContact CG2-CE2 3.26Å; I655-F659 HydrophobicContact CG2-CZ 4.22Å; I655-F659 WeakPolarHBondContact O-CD2 3.48Å; I655-F659 PolarHBondContact O-N 3.29Å; E657-F659 VanDerWaalsContact C-N 3.32Å; E657-F659 PolarHBondContact O-N 2.84Å
660	S	50.1	Low	49.4	Very low	94 Å²	94	88 Å²	88	66%	0.657	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.1	175.5	57.9	0	0	0	0	114.5	G656 E657 I658	G656-S660 PolarHBondContact O-N 3.03Å; E657-S660 WeakPolarHBondContact CA-OG 3.5Å; E657-S660 PolarHBondContact O-N 3.42Å; E657-S660 PolarHBondContact O-OG 3.19Å; I658-S660 VanDerWaalsContact C-N 3.27Å; I658-S660 PolarHBondContact O-N 3.41Å
661	M	51.3	Low	47.8	Very low	29 Å²	29	93.9 Å²	93.9	14%	0.143	48%	0.482	C	S	.	.			trans	-66.3	131.2	-178.9	-73.8	-178.7	165.6	0	0	112.3	P166 N649 I653 E657 I658 D665 V666	P166-M661 WeakPolarHBondContact CD-O 3.27Å; N649-M661 HydrophobicContact CB-CE 4.37Å; N649-M661 HydrophobicContact CB-SD 4.36Å; N649-M661 PolarHBondContact ND2-SD 2.91Å; I653-M661 HydrophobicContact CD1-CE 3.27Å; I653-M661 HydrophobicContact CG2-CE 4.21Å; E657-M661 PolarHBondContact O-N 3.13Å; I658-M661 HydrophobicContact CG2-SD 4.4Å; I658-M661 WeakPolarHBondContact O-CB 3.46Å; I658-M661 PolarHBondContact O-N 3.27Å; M661-D665 HydrophobicContact CB-CB 3.93Å; M661-D665 HydrophobicContact CG-CB 4.03Å; M661-D665 HydrophobicContact SD-CB 4.41Å; M661-V666 HydrophobicContact CB-CG2 3.79Å; M661-V666 HydrophobicContact SD-CG2 4.14Å
662	G	50.3	Low	46.4	Very low	25 Å²	25	95.4 Å²	95.4	26%	0.258	48%	0.483	S	S	.	.			trans	-80.5	172.6	170.4	0	0	0	0	0	112.3	L664 D665 V666	G662-L664 PolarHBondContact O-N 2.74Å; G662-D665 PolarHBondContact N-OD2 3.13Å; G662-D665 WeakPolarHBondContact O-CB 3.46Å; G662-D665 PolarHBondContact O-N 2.93Å; G662-V666 PolarHBondContact O-N 2.71Å
663	P	45.1	Very low	45.6	Very low	48 Å²	48	93.3 Å²	93.3	31%	0.312	48%	0.476	S	S	.	.	H	α-helix	trans	-61	-29.2	-177.4	21.5	-30.2	0	0	0	113.9	D163 D665 V666 W667	D163-P663 HydrophobicContact CB-CB 3.68Å; D163-P663 HydrophobicContact CB-CG 3.94Å; D163-P663 WeakPolarHBondContact O-CD 3.48Å; D163-P663 WeakPolarHBondContact OD2-CB 3.03Å; P663-D665 VanDerWaalsContact C-N 3.33Å; P663-V666 PolarHBondContact O-N 3.13Å; P663-W667 CarbonylContact O-C 3.5Å; P663-W667 WeakPolarHBondContact O-CA 3.29Å; P663-W667 PolarHBondContact O-N 3.33Å
664	L	41.8	Very low	44.7	Very low	131 Å²	131	96.3 Å²	96.3	69%	0.686	49%	0.489	S	S	*	.	H	α-helix	trans	-72.2	-27.2	178	-68.4	171.5	0	0	0	112.9	G662	G662-L664 PolarHBondContact O-N 2.74Å
665	D	51.1	Low	43.7	Very low	97 Å²	97	93.6 Å²	93.6	52%	0.519	48%	0.481	S	S	.	.	H	α-helix	trans	-75.5	-32.6	178.3	-54.6	-40.8	0	0	0	110.7	M661 G662 P663	M661-D665 HydrophobicContact CB-CB 3.93Å; M661-D665 HydrophobicContact CG-CB 4.03Å; M661-D665 HydrophobicContact SD-CB 4.41Å; G662-D665 PolarHBondContact N-OD2 3.13Å; G662-D665 WeakPolarHBondContact O-CB 3.46Å; G662-D665 PolarHBondContact O-N 2.93Å; P663-D665 VanDerWaalsContact C-N 3.33Å
666	V	50	Low	42.6	Very low	2 Å²	2	91.1 Å²	91.1	1%	0.012	47%	0.474	C	S	.	.	H	α-helix	trans	-98.8	-37.8	-174.7	-165.2	0	0	0	0	112.5	P166 V645 K648 M661 G662 P663 P668	P166-V666 HydrophobicContact CB-CB 3.81Å; P166-V666 HydrophobicContact CB-CG1 3.87Å; P166-V666 HydrophobicContact CB-CG2 3.67Å; P166-V666 HydrophobicContact CG-CB 4.1Å; P166-V666 HydrophobicContact CG-CG2 3.65Å; V645-V666 HydrophobicContact CB-CG1 4.33Å; V645-V666 HydrophobicContact CG1-CG1 3.76Å; V645-V666 HydrophobicContact CG2-CG1 3.83Å; K648-V666 VanDerWaalsContact CE-O 3.24Å; K648-V666 WeakPolarHBondContact CE-O 3.28Å; K648-V666 PolarHBondContact NZ-O 2.86Å; M661-V666 HydrophobicContact CB-CG2 3.79Å; M661-V666 HydrophobicContact SD-CG2 4.14Å; G662-V666 PolarHBondContact O-N 2.71Å; P663-V666 PolarHBondContact O-N 3.13Å; V666-P668 WeakPolarHBondContact O-CD 3.32Å
667	W	49.9	Very low	41.9	Very low	112 Å²	112	91.2 Å²	91.2	42%	0.424	47%	0.466	S	S	.	.	S	Bend	trans	-116.8	82.9	174.5	-107.5	-117.3	0	0	0	109.1	I644 V645 P663 V669	I644-W667 HydrophobicContact CG2-CH2 4.49Å; V645-W667 HydrophobicContact CG2-CZ3 4.1Å; P663-W667 CarbonylContact O-C 3.5Å; P663-W667 WeakPolarHBondContact O-CA 3.29Å; P663-W667 PolarHBondContact O-N 3.33Å; W667-V669 PolarHBondContact O-N 3.35Å
668	P	39	Very low	41.1	Very low	86 Å²	86	92.6 Å²	92.6	56%	0.558	47%	0.472	S	S	*	.			trans	-61	104.9	170.4	24.8	-32.1	0	0	0	107.9	V666 K670	V666-P668 WeakPolarHBondContact O-CD 3.32Å; P668-K670 PolarHBondContact O-N 3.33Å; P668-K670 VanDerWaalsContact O-N 3.12Å
669	V	38.6	Very low	40.2	Very low	108 Å²	108	99.8 Å²	99.8	66%	0.655	50%	0.5	S	S	*	.			trans	-58	117.9	162.2	178.7	0	0	0	0	104.6	W667 K671	W667-V669 PolarHBondContact O-N 3.35Å; V669-K671 PolarHBondContact O-N 3.47Å
670	K	33	Very low	39.2	Very low	198 Å²	198	104.8 Å²	104.8	86%	0.861	52%	0.522	S	S	*	.			trans	-49.2	106.2	169.8	-91.2	-175.5	175.3	-178.5	0	106.6	P668 R672	P668-K670 PolarHBondContact O-N 3.33Å; P668-K670 VanDerWaalsContact O-N 3.12Å; K670-R672 PolarHBondContact O-N 3.38Å
671	K	34.1	Very low	38.5	Very low	151 Å²	151	105.9 Å²	105.9	66%	0.657	52%	0.52	S	S	*	.			trans	-67	72.2	176.8	-79.1	-173.9	177.6	177.5	0	108.8	V669 H673 Q674	V669-K671 PolarHBondContact O-N 3.47Å; K671-H673 PolarHBondContact O-N 2.91Å; K671-Q674 VanDerWaalsContact CD-OE1 3.26Å
672	R	29.3	Very low	37.6	Very low	186 Å²	186	111.6 Å²	111.6	70%	0.702	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.9	168.6	-119.8	-177.1	-176.2	176.6	2.1	111.7	K670 Q674 I675 C676	K670-R672 PolarHBondContact O-N 3.38Å; R672-Q674 VanDerWaalsContact C-N 3.34Å; R672-Q674 PolarHBondContact O-N 3.13Å; R672-I675 HydrophobicContact CG-CD1 4.46Å; R672-I675 PolarHBondContact O-N 3.26Å; R672-C676 PolarHBondContact O-N 2.84Å
673	H	31.9	Very low	36.8	Very low	166 Å²	166	120.2 Å²	120.2	77%	0.769	57%	0.572	S	S	*	*	H	α-helix	trans	-73.3	-19.3	175.9	-74.1	90.1	0	0	0	114.2	K671 I675 S677	K671-H673 PolarHBondContact O-N 2.91Å; H673-I675 VanDerWaalsContact C-N 3.32Å; H673-S677 PolarHBondContact O-N 3.2Å; H673-S677 VanDerWaalsContact O-N 3.14Å; H673-S677 PolarHBondContact O-OG 3.47Å
674	Q	32.9	Very low	36.2	Very low	112 Å²	112	125.5 Å²	125.5	52%	0.523	59%	0.592	S	S	.	*	H	α-helix	trans	-73.5	-25.2	170.7	-95.1	178	-41.6	0	0	112.8	K671 R672 S677 Q678	K671-Q674 VanDerWaalsContact CD-OE1 3.26Å; R672-Q674 VanDerWaalsContact C-N 3.34Å; R672-Q674 PolarHBondContact O-N 3.13Å; Q674-S677 PolarHBondContact O-OG 3.36Å; Q674-Q678 WeakPolarHBondContact O-CG 3.09Å; Q674-Q678 PolarHBondContact O-N 3.08Å
675	I	31.4	Very low	35.7	Very low	95 Å²	95	122.6 Å²	122.6	49%	0.487	59%	0.594	S	S	.	*	H	α-helix	trans	-78.5	-36.7	177.1	-54.9	176.1	0	0	0	110.3	R672 H673 Q678 Y679	R672-I675 HydrophobicContact CG-CD1 4.46Å; R672-I675 PolarHBondContact O-N 3.26Å; H673-I675 VanDerWaalsContact C-N 3.32Å; I675-Q678 PolarHBondContact O-N 2.91Å; I675-Y679 HydrophobicContact CG2-CD2 4.31Å; I675-Y679 PolarHBondContact O-N 3.26Å
676	C	29.2	Very low	34.7	Very low	73 Å²	73	121 Å²	121	49%	0.493	60%	0.6	S	S	.	*	H	α-helix	trans	-69.7	-38.2	173.8	-83.3	0	0	0	0	112.9	R672 Q678 Y679 F680	R672-C676 PolarHBondContact O-N 2.84Å; C676-Q678 VanDerWaalsContact C-N 3.31Å; C676-Q678 PolarHBondContact O-N 2.99Å; C676-Y679 PolarHBondContact O-N 3.5Å; C676-F680 WeakPolarHBondContact O-CD2 3.33Å; C676-F680 PolarHBondContact O-N 3.22Å
677	S	35.5	Very low	33.8	Very low	56 Å²	56	128 Å²	128	39%	0.392	64%	0.637	S	S	.	*	H	α-helix	trans	-67.1	-33.5	176.3	67.6	0	0	0	0	112	H673 Q674 N681	H673-S677 PolarHBondContact O-N 3.2Å; H673-S677 VanDerWaalsContact O-N 3.14Å; H673-S677 PolarHBondContact O-OG 3.47Å; Q674-S677 PolarHBondContact O-OG 3.36Å; S677-N681 VanDerWaalsContact O-CB 3.25Å; S677-N681 WeakPolarHBondContact O-CB 3.41Å; S677-N681 PolarHBondContact O-N 3.29Å; S677-N681 PolarHBondContact O-ND2 3.22Å
678	Q	36	Very low	32.7	Very low	131 Å²	131	130.3 Å²	130.3	61%	0.612	66%	0.657	S	S	*	*	H	α-helix	trans	-68.8	-39.3	172.4	-81.5	-178.2	-31.4	0	0	112.6	Q674 I675 C676 Q682	Q674-Q678 WeakPolarHBondContact O-CG 3.09Å; Q674-Q678 PolarHBondContact O-N 3.08Å; I675-Q678 PolarHBondContact O-N 2.91Å; C676-Q678 VanDerWaalsContact C-N 3.31Å; C676-Q678 PolarHBondContact O-N 2.99Å; Q678-Q682 WeakPolarHBondContact O-CB 3.41Å; Q678-Q682 PolarHBondContact O-N 3.38Å; Q678-Q682 VanDerWaalsContact O-N 3.07Å
679	Y	31.8	Very low	32.3	Very low	160 Å²	160	135 Å²	135	63%	0.627	67%	0.672	S	S	*	*	H	α-helix	trans	-70.4	-34.4	177.1	-106.6	-88.1	0	0	0	113.6	I675 C676	I675-Y679 HydrophobicContact CG2-CD2 4.31Å; I675-Y679 PolarHBondContact O-N 3.26Å; C676-Y679 PolarHBondContact O-N 3.5Å
680	F	31.4	Very low	31.8	Very low	141 Å²	141	139.2 Å²	139.2	62%	0.618	68%	0.681	S	S	*	*	H	α-helix	trans	-73.9	-42.4	174.7	-92.1	-85.9	0	0	0	111.9	C676 Q682 R683 E684	C676-F680 WeakPolarHBondContact O-CD2 3.33Å; C676-F680 PolarHBondContact O-N 3.22Å; F680-Q682 VanDerWaalsContact C-N 3.27Å; F680-Q682 PolarHBondContact O-N 3.22Å; F680-R683 PolarHBondContact O-N 2.83Å; F680-R683 VanDerWaalsContact O-N 3.16Å; F680-E684 PolarHBondContact O-N 2.98Å
681	N	34.8	Very low	31.4	Very low	116 Å²	116	138 Å²	138	62%	0.62	68%	0.678	S	S	*	*	H	α-helix	trans	-65	-28.5	176.3	-73.8	-6.7	0	0	0	113.1	S677 G685	S677-N681 VanDerWaalsContact O-CB 3.25Å; S677-N681 WeakPolarHBondContact O-CB 3.41Å; S677-N681 PolarHBondContact O-N 3.29Å; S677-N681 PolarHBondContact O-ND2 3.22Å; N681-G685 PolarHBondContact O-N 2.97Å
682	Q	33.4	Very low	31.1	Very low	149 Å²	149	138 Å²	138	70%	0.696	69%	0.691	S	S	*	*	H	α-helix	trans	-74.4	-25.7	174.9	-88.7	-175.5	-24.3	0	0	114	Q678 F680	Q678-Q682 WeakPolarHBondContact O-CB 3.41Å; Q678-Q682 PolarHBondContact O-N 3.38Å; Q678-Q682 VanDerWaalsContact O-N 3.07Å; F680-Q682 VanDerWaalsContact C-N 3.27Å; F680-Q682 PolarHBondContact O-N 3.22Å
683	R	32.4	Very low	30.9	Very low	207 Å²	207	132.5 Å²	132.5	78%	0.781	69%	0.692	S	S	*	*	H	α-helix	trans	-82.8	-34.1	176.9	-86.4	-170.8	175.9	-169.8	-0.7	113.1	F680	F680-R683 PolarHBondContact O-N 2.83Å; F680-R683 VanDerWaalsContact O-N 3.16Å
684	E	32.5	Very low	30.7	Very low	159 Å²	159	134 Å²	134	74%	0.743	70%	0.697	S	S	*	*	H	α-helix	trans	-78.9	-21.5	179	-70.6	-172.1	166.1	0	0	113.1	F680 G686	F680-E684 PolarHBondContact O-N 2.98Å; E684-G686 VanDerWaalsContact C-N 3.32Å; E684-G686 PolarHBondContact O-N 3.23Å
685	G	30.7	Very low	30.2	Very low	70 Å²	70	135.8 Å²	135.8	72%	0.722	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	0.8	175.7	0	0	0	0	0	116	N681	N681-G685 PolarHBondContact O-N 2.97Å
686	G	31.2	Very low	29.9	Very low	62 Å²	62	137.2 Å²	137.2	64%	0.639	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	1.9	-170.3	0	0	0	0	0	116.4	E684	E684-G686 VanDerWaalsContact C-N 3.32Å; E684-G686 PolarHBondContact O-N 3.23Å
687	L	30.2	Very low	29.8	Very low	151 Å²	151	139.6 Å²	139.6	79%	0.791	72%	0.724	S	S	*	*	S	Bend	trans	-131	60.3	-176.4	-83	158.1	0	0	0	110.3
688	D	28.4	Very low	29.4	Very low	159 Å²	159	143.5 Å²	143.5	85%	0.85	74%	0.741	S	S	*	*	S	Bend	trans	-154.4	132.8	152.7	-93.9	-32.6	0	0	0	111.2
689	E	29.9	Very low	28.8	Very low	186 Å²	186	145.2 Å²	145.2	87%	0.869	75%	0.749	S	S	*	*			trans	81.6	76	163.3	-60.4	-172.5	165.3	0	0	119.4
690	K	26.8	Very low	28.6	Very low	195 Å²	195	143.9 Å²	143.9	85%	0.848	75%	0.753	S	S	*	*			trans	-22.1	128.4	135.2	-75.2	172.7	172.8	173.3	0	115.4
691	H	26	Very low	28.4	Very low	173 Å²	173	144.2 Å²	144.2	80%	0.801	76%	0.76	S	S	*	*			trans	49.6	98.5	133.4	-68.6	-40.3	0	0	0	119.2
692	T	27.9	Very low	28.1	Very low	151 Å²	151	147 Å²	147	93%	0.926	77%	0.769	S	S	*	*			trans	-149	101.5	132.5	32.6	0	0	0	0	111.8
693	G	24.7	Very low	27.7	Very low	71 Å²	71	144.5 Å²	144.5	73%	0.732	77%	0.768	S	S	*	*			trans	47.6	108.8	137.7	0	0	0	0	0	122.3
694	K	26.7	Very low	27.6	Very low	198 Å²	198	142 Å²	142	86%	0.861	77%	0.77	S	S	*	*				159.8	105.4	122.6	-89.7	172.9	176.8	-179.8	0	107.4
695	I	23	Very low	27.3	Very low	149 Å²	149	142.5 Å²	142.5	76%	0.764	77%	0.772	S	S	*	*				50.6	87.5	75.9	-57.3	-179	0	0	0	110.6
696	N	25.5	Very low	27.4	Very low	125 Å²	125	148 Å²	148	67%	0.668	78%	0.776	S	S	*	*				174.2	137.6	98.2	-108.1	7.7	0	0	0	112.5
697	D	26.1	Very low	27.3	Very low	122 Å²	122	152.6 Å²	152.6	65%	0.652	78%	0.781	S	S	*	*			trans	74.4	127.9	139.9	-52.1	-25.5	0	0	0	122.2
698	D	27.3	Very low	27.1	Very low	139 Å²	139	150.2 Å²	150.2	74%	0.743	78%	0.777	S	S	*	*			trans	90.2	92.9	149.1	-57.8	-17.1	0	0	0	121.2
699	E	25	Very low	27.1	Very low	167 Å²	167	148.2 Å²	148.2	78%	0.78	78%	0.775	S	S	*	*				62.7	138.4	118.1	-68.3	-169	158.8	0	0	122.7
700	N	27.9	Very low	27.4	Very low	132 Å²	132	150.2 Å²	150.2	71%	0.706	79%	0.79	S	S	*	*			trans	85.5	90.8	165.2	-61.1	-42.8	0	0	0	116.6
701	I	25.6	Very low	27.4	Very low	148 Å²	148	148 Å²	148	76%	0.759	79%	0.787	S	S	*	*				50.9	101	82.2	-53.7	173.5	0	0	0	112.3
702	Q	28.2	Very low	27.5	Very low	174 Å²	174	146.7 Å²	146.7	81%	0.813	79%	0.786	S	S	*	*				-166.2	109.3	120.3	-107.9	177.4	-0.2	0	0	111.5
703	S	25.1	Very low	27.4	Very low	97 Å²	97	146.4 Å²	146.4	68%	0.678	78%	0.779	S	S	*	*			trans	-55.9	131.5	157.6	50.5	0	0	0	0	111.3
704	N	31.6	Very low	27.6	Very low	153 Å²	153	150.9 Å²	150.9	82%	0.818	78%	0.781	S	S	*	*			trans	-134.1	91.7	152.4	-88.6	-30.7	0	0	0	109
705	H	25	Very low	27.7	Very low	171 Å²	171	147.9 Å²	147.9	79%	0.792	78%	0.776	S	S	*	*			trans	-57	139.7	146.1	-95.7	-83.2	0	0	0	109.3
706	F	32.8	Very low	28	Very low	184 Å²	184	147.9 Å²	147.9	81%	0.807	78%	0.777	S	S	*	*			trans	176.9	94.6	143.1	-103.3	-78	0	0	0	105.8
707	E	29.4	Very low	28.1	Very low	160 Å²	160	149.5 Å²	149.5	75%	0.748	79%	0.785	S	S	*	*				78	130.6	92.8	-87.1	-170	162.5	0	0	115.2
708	S	25.5	Very low	28.3	Very low	101 Å²	101	151.6 Å²	151.6	71%	0.706	80%	0.795	S	S	*	*			trans	-43.3	139.6	165	49.1	0	0	0	0	115.2
709	S	29.1	Very low	28.4	Very low	116 Å²	116	152.7 Å²	152.7	81%	0.811	80%	0.799	S	S	*	*				177.7	145.5	121.6	38.6	0	0	0	0	113.1
710	I	35.5	Very low	28.7	Very low	229 Å²	229	151.4 Å²	151.4	100%	1.174	80%	0.801	S	S	*	*			trans	89.5	0	170	-44.4	179.3	0	0	0	117.2

Retrieved 710 of 710 residues in 369.3 ms (Link to these results)

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