G4VS89_SCHMA Loading...

Putative nad dependent epimerase/dehydratase

AlphaFold DB , UniProt , Accession G4VS89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 350 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	36.7	Very low	32	Very low	233 Å²	233	145.5 Å²	145.5	100%	1.148	77%	0.768	S	S	*	*				0	105.3	0	-71.7	177.8	175.4	0	0	107	T3	M1-T3 PolarHBondContact O-N 3.39Å; M1-T3 VanDerWaalsContact O-N 3.16Å
2	N	35.3	Very low	32.3	Very low	164 Å²	164	138.6 Å²	138.6	88%	0.877	73%	0.727	S	S	*	*			trans	-70.5	105.9	175.9	-89.2	-6.1	0	0	0	108.2	T4	N2-T4 VanDerWaalsContact C-N 3.33Å; N2-T4 PolarHBondContact O-N 3.43Å; N2-T4 VanDerWaalsContact O-N 3.09Å
3	T	32.7	Very low	32.2	Very low	128 Å²	128	138.8 Å²	138.8	79%	0.785	73%	0.729	S	S	*	*			trans	-78.7	85.3	172	45.1	0	0	0	0	108.7	M1 V5	M1-T3 PolarHBondContact O-N 3.39Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-V5 PolarHBondContact O-N 2.91Å
4	T	29.7	Very low	32.1	Very low	125 Å²	125	141 Å²	141	77%	0.767	73%	0.733	S	S	*	*			trans	-67.1	110.6	166	-21.8	0	0	0	0	107.1	N2 E6	N2-T4 VanDerWaalsContact C-N 3.33Å; N2-T4 PolarHBondContact O-N 3.43Å; N2-T4 VanDerWaalsContact O-N 3.09Å; T4-E6 PolarHBondContact O-N 3.22Å; T4-E6 VanDerWaalsContact O-N 3.13Å
5	V	29.6	Very low	32	Very low	103 Å²	103	139.5 Å²	139.5	62%	0.624	73%	0.733	S	S	*	*			trans	-72.7	103.5	174.4	177.3	0	0	0	0	107.3	T3 Y7	T3-V5 PolarHBondContact O-N 2.91Å; V5-Y7 WeakPolarHBondContact O-CD2 2.86Å; V5-Y7 PolarHBondContact O-N 3.36Å
6	E	28.1	Very low	32.1	Very low	185 Å²	185	141.4 Å²	141.4	86%	0.864	74%	0.744	S	S	*	*			trans	-66.1	116.1	170.6	-81.4	-176.1	151.2	0	0	109.5	T4	T4-E6 PolarHBondContact O-N 3.22Å; T4-E6 VanDerWaalsContact O-N 3.13Å
7	Y	32.3	Very low	31.9	Very low	180 Å²	180	136.4 Å²	136.4	71%	0.706	73%	0.734	S	S	*	*			trans	-78.9	137.9	175.2	-71.1	-89.8	0	0	0	110.4	V5 S9	V5-Y7 WeakPolarHBondContact O-CD2 2.86Å; V5-Y7 PolarHBondContact O-N 3.36Å; Y7-S9 PolarHBondContact O-N 3.43Å; Y7-S9 VanDerWaalsContact O-N 3.1Å
8	P	30.9	Very low	31.7	Very low	89 Å²	89	138.7 Å²	138.7	58%	0.578	74%	0.74	S	S	*	*			trans	-64.5	113.8	177.8	23.7	-31	0	0	0	110.6	K10	P8-K10 PolarHBondContact O-N 2.95Å; P8-K10 VanDerWaalsContact O-N 3.12Å
9	S	34.3	Very low	31.5	Very low	120 Å²	120	141.1 Å²	141.1	84%	0.839	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-1.6	-177.8	51.3	0	0	0	0	115	Y7	Y7-S9 PolarHBondContact O-N 3.43Å; Y7-S9 VanDerWaalsContact O-N 3.1Å
10	K	30.4	Very low	31.2	Very low	197 Å²	197	142.5 Å²	142.5	86%	0.857	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	20.7	-171	-71.8	-168	174	-174.5	0	116	P8 F12	P8-K10 PolarHBondContact O-N 2.95Å; P8-K10 VanDerWaalsContact O-N 3.12Å; K10-F12 PolarHBondContact O-N 3.37Å
11	L	32.4	Very low	31	Very low	76 Å²	76	139.8 Å²	139.8	40%	0.398	75%	0.746	S	S	.	*	S	Bend	trans	-79.3	-12.8	-172.4	-148.1	74.9	0	0	0	115.4
12	F	35.7	Very low	30.6	Very low	63 Å²	63	135.8 Å²	135.8	28%	0.276	73%	0.73	S	S	.	*			trans	-147.5	112.1	177.7	-69.3	-86.2	0	0	0	109.9	K10 E14 K191 Y225	K10-F12 PolarHBondContact O-N 3.37Å; F12-E14 PolarHBondContact O-N 3.34Å; F12-K191 HydrophobicContact CE1-CD 4.5Å; F12-K191 HydrophobicContact CE1-CG 4.14Å; F12-Y225 HydrophobicContact CD2-CE2 4.35Å
13	D	30.1	Very low	30	Very low	142 Å²	142	135.4 Å²	135.4	76%	0.759	73%	0.726	S	S	*	*			trans	-56.4	130.7	157.2	-95.4	-31.2	0	0	0	107.8	T15	D13-T15 HydrophobicContact CB-CG2 4.36Å; D13-T15 PolarHBondContact O-N 3.46Å
14	E	31	Very low	29.7	Very low	169 Å²	169	138.1 Å²	138.1	79%	0.79	73%	0.73	S	S	*	*	S	Bend	trans	-68.9	22	-173.4	-68.3	178.7	149.1	0	0	114.1	F12 D16 G17	F12-E14 PolarHBondContact O-N 3.34Å; E14-D16 PolarHBondContact O-N 3.19Å; E14-G17 PolarHBondContact O-N 2.96Å
15	T	31.3	Very low	29.6	Very low	119 Å²	119	137.9 Å²	137.9	73%	0.73	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	18.7	-170.9	63.1	0	0	0	0	115.5	D13	D13-T15 HydrophobicContact CB-CG2 4.36Å; D13-T15 PolarHBondContact O-N 3.46Å
16	D	32.7	Very low	29.6	Very low	169 Å²	169	137.4 Å²	137.4	90%	0.904	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	15.4	163.5	-72.8	-21.7	0	0	0	111.4	E14	E14-D16 PolarHBondContact O-N 3.19Å
17	G	28.4	Very low	29.9	Very low	56 Å²	56	136.6 Å²	136.6	58%	0.577	73%	0.731	S	S	*	*	S	Bend	trans	-89.8	116.1	168.7	0	0	0	0	0	111.4	E14	E14-G17 PolarHBondContact O-N 2.96Å
18	E	29.1	Very low	30	Very low	179 Å²	179	134.4 Å²	134.4	84%	0.836	73%	0.73	S	S	*	*			trans	28.4	95	149.1	-75.1	165.1	169.7	0	0	118
19	E	27.6	Very low	30.6	Very low	183 Å²	183	135.2 Å²	135.2	86%	0.855	73%	0.73	S	S	*	*			trans	-115.2	80.8	143.2	-88.9	-177.3	171.6	0	0	107.9
20	D	26.8	Very low	31	Very low	169 Å²	169	133.1 Å²	133.1	90%	0.904	72%	0.72	S	S	*	*			trans	-89.7	81.8	150.4	-91.7	-27.3	0	0	0	106.5
21	S	26.6	Very low	31.6	Very low	86 Å²	86	128.8 Å²	128.8	60%	0.601	71%	0.706	S	S	*	*			trans	-150.6	108.5	162	61.9	0	0	0	0	109.8
22	D	26.9	Very low	32	Very low	150 Å²	150	131.3 Å²	131.3	80%	0.802	72%	0.716	S	S	*	*			trans	33.5	104.7	145.8	-59.4	-30.3	0	0	0	118.9
23	I	23.5	Very low	32.1	Very low	156 Å²	156	135.8 Å²	135.8	80%	0.8	73%	0.731	S	S	*	*			trans	39.2	94.8	131.8	-50	172.2	0	0	0	115.8
24	E	27.2	Very low	32.7	Very low	185 Å²	185	133.3 Å²	133.3	86%	0.864	72%	0.718	S	S	*	*			trans	-150.7	87.9	138.2	-116.7	179.2	-165.8	0	0	109.9	S26	E24-S26 PolarHBondContact O-N 2.83Å
25	T	26.6	Very low	33.1	Very low	119 Å²	119	129.5 Å²	129.5	73%	0.73	70%	0.703	S	S	*	*			trans	-73.6	93.5	175.8	50.5	0	0	0	0	110.1
26	S	30.2	Very low	33.2	Very low	93 Å²	93	129.3 Å²	129.3	65%	0.65	70%	0.695	S	S	*	*			trans	-132.5	126.3	164.9	69.5	0	0	0	0	112	E24 I28	E24-S26 PolarHBondContact O-N 2.83Å; S26-I28 PolarHBondContact O-N 3.45Å
27	N	33.9	Very low	33.6	Very low	168 Å²	168	129.9 Å²	129.9	90%	0.898	69%	0.685	S	S	*	*			trans	65.8	24.8	160.5	-74.2	-14.5	0	0	0	122.3	D29	N27-D29 PolarHBondContact O-N 2.97Å
28	I	34.1	Very low	34.1	Very low	134 Å²	134	134 Å²	134	69%	0.687	69%	0.687	S	S	*	*			trans	-83	105.4	157.2	-61	178	0	0	0	109.7	S26	S26-I28 PolarHBondContact O-N 3.45Å
29	D	43.6	Very low	34.2	Very low	106 Å²	106	130.4 Å²	130.4	57%	0.567	67%	0.672	S	S	*	*			trans	-22.4	120	175.4	-161.4	-18.2	0	0	0	114.8	N27 N31 E32	N27-D29 PolarHBondContact O-N 2.97Å; D29-N31 PolarHBondContact O-N 3.36Å; D29-N31 PolarHBondContact OD1-N 3.37Å; D29-E32 PolarHBondContact O-N 2.65Å; D29-E32 VanDerWaalsContact O-N 3.08Å
30	A	43.7	Very low	34.7	Very low	77 Å²	77	128.5 Å²	128.5	64%	0.636	66%	0.661	S	S	*	*	H	α-helix	trans	-54.2	-22.1	-179.9	0	0	0	0	0	112.9	N34	A30-N34 WeakPolarHBondContact O-CB 3.41Å; A30-N34 PolarHBondContact O-N 3.39Å
31	N	42.7	Very low	35.1	Very low	106 Å²	106	129.5 Å²	129.5	57%	0.567	66%	0.658	S	S	*	*	H	α-helix	trans	-70	-39.4	179.9	-143.5	9.8	0	0	0	112.8	D29 N34 N35	D29-N31 PolarHBondContact O-N 3.36Å; D29-N31 PolarHBondContact OD1-N 3.37Å; N31-N34 PolarHBondContact O-N 3.45Å; N31-N35 PolarHBondContact O-N 3.33Å
32	E	39.9	Very low	35.3	Very low	128 Å²	128	134.3 Å²	134.3	60%	0.598	67%	0.668	S	S	*	*	H	α-helix	trans	-70.4	-38.9	175.7	-76	-159.1	149.2	0	0	111.8	D29 N34 N35 M36	D29-E32 PolarHBondContact O-N 2.65Å; D29-E32 VanDerWaalsContact O-N 3.08Å; E32-N34 VanDerWaalsContact C-N 3.26Å; E32-N34 PolarHBondContact O-N 2.87Å; E32-N35 PolarHBondContact O-N 2.96Å; E32-M36 WeakPolarHBondContact O-CB 3.39Å; E32-M36 WeakPolarHBondContact O-CG 3.32Å; E32-M36 PolarHBondContact O-N 2.94Å
33	R	39.1	Very low	35.6	Very low	158 Å²	158	133.9 Å²	133.9	60%	0.596	66%	0.661	S	S	*	*	H	α-helix	trans	-60.3	-37.5	172.6	-105.2	179.8	-179.8	174	1.5	111.9	R37	R33-R37 VanDerWaalsContact O-CB 3.31Å; R33-R37 WeakPolarHBondContact O-CB 3.11Å; R33-R37 WeakPolarHBondContact O-CG 3.38Å; R33-R37 PolarHBondContact O-N 2.95Å
34	N	42.5	Very low	36	Very low	89 Å²	89	131.6 Å²	131.6	48%	0.476	65%	0.649	S	S	.	*	H	α-helix	trans	-72.3	-37.3	179	-140.7	4.6	0	0	0	111.7	A30 N31 E32 R37 K38	A30-N34 WeakPolarHBondContact O-CB 3.41Å; A30-N34 PolarHBondContact O-N 3.39Å; N31-N34 PolarHBondContact O-N 3.45Å; E32-N34 VanDerWaalsContact C-N 3.26Å; E32-N34 PolarHBondContact O-N 2.87Å; N34-R37 PolarHBondContact O-N 3.5Å; N34-K38 WeakPolarHBondContact O-CB 3.35Å; N34-K38 WeakPolarHBondContact O-CG 3.44Å; N34-K38 PolarHBondContact O-N 3.24Å
35	N	39.1	Very low	36.4	Very low	90 Å²	90	126.5 Å²	126.5	48%	0.481	64%	0.639	S	S	.	*	H	α-helix	trans	-66.7	-41.4	172.1	-82.1	-23.1	0	0	0	112.3	N31 E32 K38 L39	N31-N35 PolarHBondContact O-N 3.33Å; E32-N35 PolarHBondContact O-N 2.96Å; N35-K38 PolarHBondContact O-N 3.46Å; N35-L39 WeakPolarHBondContact O-CD1 3.38Å; N35-L39 PolarHBondContact O-N 2.99Å
36	M	32.8	Very low	36.9	Very low	115 Å²	115	123.7 Å²	123.7	57%	0.567	62%	0.623	S	S	*	*	H	α-helix	trans	-66.2	-38.1	174.2	-80.5	-78	-81.9	0	0	112.4	E32 L39 K40	E32-M36 WeakPolarHBondContact O-CB 3.39Å; E32-M36 WeakPolarHBondContact O-CG 3.32Å; E32-M36 PolarHBondContact O-N 2.94Å; M36-L39 PolarHBondContact O-N 3.13Å; M36-K40 WeakPolarHBondContact O-CB 3.49Å; M36-K40 WeakPolarHBondContact O-CG 3Å; M36-K40 PolarHBondContact O-N 3.32Å
37	R	40.4	Very low	37.2	Very low	181 Å²	181	123.1 Å²	123.1	68%	0.683	62%	0.617	S	S	*	*	H	α-helix	trans	-67.1	-37.9	172.7	-80.6	180	173.4	-175.4	-1.1	112	R33 N34 K41	R33-R37 VanDerWaalsContact O-CB 3.31Å; R33-R37 WeakPolarHBondContact O-CB 3.11Å; R33-R37 WeakPolarHBondContact O-CG 3.38Å; R33-R37 PolarHBondContact O-N 2.95Å; N34-R37 PolarHBondContact O-N 3.5Å; R37-K41 PolarHBondContact O-N 2.9Å
38	K	39	Very low	37.1	Very low	142 Å²	142	121.8 Å²	121.8	62%	0.617	61%	0.609	S	S	*	*	H	α-helix	trans	-66.3	-40.3	172.8	-80.8	-179.3	177.7	177.1	0	111.9	N34 N35 K42	N34-K38 WeakPolarHBondContact O-CB 3.35Å; N34-K38 WeakPolarHBondContact O-CG 3.44Å; N34-K38 PolarHBondContact O-N 3.24Å; N35-K38 PolarHBondContact O-N 3.46Å; K38-K42 PolarHBondContact O-N 3.38Å
39	L	32.7	Very low	37.2	Very low	103 Å²	103	120.5 Å²	120.5	54%	0.539	60%	0.603	S	S	.	*	H	α-helix	trans	-67.1	-45.7	175.3	-102.6	102	0	0	0	112.1	N35 M36 K41 K42 E43	N35-L39 WeakPolarHBondContact O-CD1 3.38Å; N35-L39 PolarHBondContact O-N 2.99Å; M36-L39 PolarHBondContact O-N 3.13Å; L39-K41 PolarHBondContact O-N 3.31Å; L39-K42 PolarHBondContact O-N 3.16Å; L39-E43 PolarHBondContact O-N 2.78Å
40	K	37.5	Very low	36.8	Very low	143 Å²	143	121.6 Å²	121.6	62%	0.622	61%	0.608	S	S	*	*	H	α-helix	trans	-63.3	-26.5	-178.5	-80.5	-169.6	176.2	-172.3	0	113.5	M36 I44	M36-K40 WeakPolarHBondContact O-CB 3.49Å; M36-K40 WeakPolarHBondContact O-CG 3Å; M36-K40 PolarHBondContact O-N 3.32Å; K40-I44 HydrophobicContact CG-CD1 4.34Å
41	K	35.3	Very low	36.6	Very low	191 Å²	191	123 Å²	123	83%	0.83	61%	0.609	S	S	*	*	H	α-helix	trans	-91.2	-20.8	179.1	-86.7	-171.6	174.1	-175.7	0	115.2	R37 L39	R37-K41 PolarHBondContact O-N 2.9Å; L39-K41 PolarHBondContact O-N 3.31Å
42	K	31.5	Very low	36.4	Very low	186 Å²	186	127.4 Å²	127.4	81%	0.809	62%	0.617	S	S	*	*	H	α-helix	trans	-109.7	-15.1	-171.4	-120.9	-179.5	-179.7	-175.5	0	116.2	K38 L39	K38-K42 PolarHBondContact O-N 3.38Å; L39-K42 PolarHBondContact O-N 3.16Å
43	E	32	Very low	36.6	Very low	141 Å²	141	126.1 Å²	126.1	66%	0.659	62%	0.615	S	S	*	*	S	Bend	trans	-128.6	2.4	-177.5	-75.3	-167.5	159.2	0	0	116.2	L39	L39-E43 PolarHBondContact O-N 2.78Å
44	I	32.8	Very low	36.8	Very low	109 Å²	109	124.5 Å²	124.5	56%	0.559	61%	0.614	S	S	*	*			trans	-101.2	2.9	172.9	-47.5	175.3	0	0	0	111.7	K40 C46	K40-I44 HydrophobicContact CG-CD1 4.34Å; I44-C46 PolarHBondContact O-N 3.21Å
45	A	34.7	Very low	37	Very low	77 Å²	77	126.3 Å²	126.3	64%	0.636	62%	0.62	S	S	*	*	S	Bend	trans	-64.5	111.6	160.8	0	0	0	0	0	106.6
46	C	37	Very low	37.4	Very low	60 Å²	60	127.6 Å²	127.6	41%	0.405	62%	0.622	S	S	.	*			trans	-37.7	134.4	162.3	-172.8	0	0	0	0	107.7	I44 L48	I44-C46 PolarHBondContact O-N 3.21Å; C46-L48 HydrophobicContact CB-CD1 4.3Å; C46-L48 PolarHBondContact O-N 2.93Å
47	P	37.6	Very low	37.6	Very low	81 Å²	81	126.8 Å²	126.8	53%	0.526	62%	0.62	S	S	.	*			trans	-61.5	83.8	170.7	-13.9	27.3	0	0	0	107.3	I49 L115	P47-I49 PolarHBondContact O-N 2.84Å; P47-L115 HydrophobicContact CG-CD2 4.47Å
48	L	31	Very low	37.8	Very low	140 Å²	140	122 Å²	122	73%	0.733	61%	0.607	S	S	*	*			trans	-71.7	82.5	177.5	-121.2	111.9	0	0	0	104.3	C46 L50	C46-L48 HydrophobicContact CB-CD1 4.3Å; C46-L48 PolarHBondContact O-N 2.93Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 2.84Å; L48-L50 VanDerWaalsContact O-N 3.08Å
49	I	36.4	Very low	38.1	Very low	107 Å²	107	121.8 Å²	121.8	55%	0.549	61%	0.613	S	S	.	*			trans	-66.7	108.9	157.7	-66.1	179	0	0	0	104.3	P47 T51	P47-I49 PolarHBondContact O-N 2.84Å; I49-T51 PolarHBondContact O-N 2.92Å
50	L	34.3	Very low	38.7	Very low	129 Å²	129	121.6 Å²	121.6	68%	0.675	61%	0.611	S	S	*	*			trans	-40.8	131.8	168.7	-68.6	150	0	0	0	108.8	L48 R52	L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 2.84Å; L48-L50 VanDerWaalsContact O-N 3.08Å; L50-R52 PolarHBondContact O-N 2.8Å
51	T	39.4	Very low	38.8	Very low	108 Å²	108	122.5 Å²	122.5	66%	0.663	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.9	-3.8	175.3	45.7	0	0	0	0	116.7	I49 D53 H54 E55	I49-T51 PolarHBondContact O-N 2.92Å; T51-D53 PolarHBondContact O-N 2.64Å; T51-H54 PolarHBondContact O-N 3.34Å; T51-E55 PolarHBondContact O-N 2.79Å
52	R	38.5	Very low	39	Very low	197 Å²	197	116.8 Å²	116.8	74%	0.743	61%	0.606	S	S	*	*	H	α-helix	trans	-59.5	-38.3	179.9	-89.8	-173.2	167.3	-179.7	-3.3	114.1	L50 H54 H56	L50-R52 PolarHBondContact O-N 2.8Å; R52-H54 VanDerWaalsContact C-N 3.28Å; R52-H54 PolarHBondContact O-N 3.05Å; R52-H56 WeakPolarHBondContact O-CB 3.46Å; R52-H56 PolarHBondContact O-N 3.06Å
53	D	45.7	Very low	39.3	Very low	102 Å²	102	109.6 Å²	109.6	55%	0.545	58%	0.578	S	S	.	*	H	α-helix	trans	-69.4	-30.8	-178.3	-71.8	-18.1	0	0	0	111.7	T51 L57	T51-D53 PolarHBondContact O-N 2.64Å; D53-L57 WeakPolarHBondContact O-CB 3.48Å; D53-L57 WeakPolarHBondContact O-CD1 3.17Å; D53-L57 WeakPolarHBondContact O-CG 3.26Å; D53-L57 PolarHBondContact O-N 3.42Å
54	H	41.7	Very low	39.6	Very low	124 Å²	124	107.1 Å²	107.1	57%	0.574	57%	0.569	S	S	*	*	H	α-helix	trans	-69.1	-49.3	176.2	-85.9	-70.6	0	0	0	112.3	T51 R52 H56 L57 I58	T51-H54 PolarHBondContact O-N 3.34Å; R52-H54 VanDerWaalsContact C-N 3.28Å; R52-H54 PolarHBondContact O-N 3.05Å; H54-H56 PolarHBondContact O-N 3.17Å; H54-L57 PolarHBondContact O-N 3.44Å; H54-I58 VanDerWaalsContact O-CG1 3.31Å; H54-I58 WeakPolarHBondContact O-CG1 3.42Å; H54-I58 PolarHBondContact O-N 2.87Å
55	E	47	Very low	40.1	Very low	127 Å²	127	107.1 Å²	107.1	59%	0.593	58%	0.579	S	S	*	*	H	α-helix	trans	-65.6	-38.3	178.2	-77.6	-176.5	164.7	0	0	112.4	T51 L57 I58 N59	T51-E55 PolarHBondContact O-N 2.79Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 2.93Å; E55-I58 PolarHBondContact O-N 2.77Å; E55-N59 PolarHBondContact O-N 3.13Å
56	H	48.7	Very low	40.4	Very low	117 Å²	117	111 Å²	111	54%	0.542	59%	0.585	S	S	.	*	H	α-helix	trans	-65.5	-37.5	-179.4	-166.8	-88.8	0	0	0	111.9	R52 H54 I60	R52-H56 WeakPolarHBondContact O-CB 3.46Å; R52-H56 PolarHBondContact O-N 3.06Å; H54-H56 PolarHBondContact O-N 3.17Å; H56-I60 WeakPolarHBondContact CE1-CD1 3.44Å; H56-I60 WeakPolarHBondContact ND1-CD1 3.47Å; H56-I60 WeakPolarHBondContact O-CG1 3.33Å; H56-I60 PolarHBondContact O-N 3.41Å; H56-I60 VanDerWaalsContact O-N 3.13Å
57	L	37.5	Very low	40.5	Very low	97 Å²	97	114.3 Å²	114.3	51%	0.508	60%	0.595	S	S	.	*	H	α-helix	trans	-69.9	-37.5	175.1	-72	171.7	0	0	0	112.7	D53 H54 E55 Y61	D53-L57 WeakPolarHBondContact O-CB 3.48Å; D53-L57 WeakPolarHBondContact O-CD1 3.17Å; D53-L57 WeakPolarHBondContact O-CG 3.26Å; D53-L57 PolarHBondContact O-N 3.42Å; H54-L57 PolarHBondContact O-N 3.44Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 2.93Å; L57-Y61 HydrophobicContact CD2-CD2 4.32Å; L57-Y61 HydrophobicContact CD2-CE2 4.15Å; L57-Y61 PolarHBondContact O-N 3.49Å
58	I	43	Very low	41.1	Very low	82 Å²	82	112.7 Å²	112.7	42%	0.421	58%	0.582	S	S	.	*	H	α-helix	trans	-63.3	-46.5	175.5	-66.9	165	0	0	0	110.3	H54 E55 G62	H54-I58 VanDerWaalsContact O-CG1 3.31Å; H54-I58 WeakPolarHBondContact O-CG1 3.42Å; H54-I58 PolarHBondContact O-N 2.87Å; E55-I58 PolarHBondContact O-N 2.77Å; I58-G62 WeakPolarHBondContact O-CA 3.27Å; I58-G62 PolarHBondContact O-N 2.65Å
59	N	46.1	Very low	42.4	Very low	137 Å²	137	114.1 Å²	114.1	73%	0.733	58%	0.583	S	S	*	*	H	α-helix	trans	-68.7	-40.3	-177	-85.5	-27.3	0	0	0	113.8	E55	E55-N59 PolarHBondContact O-N 3.13Å
60	I	44.3	Very low	44.5	Very low	98 Å²	98	109.6 Å²	109.6	50%	0.503	56%	0.562	S	S	.	*	H	α-helix	trans	-70.3	-40.9	-178.3	-72.1	-174.9	0	0	0	111.7	H56	H56-I60 WeakPolarHBondContact CE1-CD1 3.44Å; H56-I60 WeakPolarHBondContact ND1-CD1 3.47Å; H56-I60 WeakPolarHBondContact O-CG1 3.33Å; H56-I60 PolarHBondContact O-N 3.41Å; H56-I60 VanDerWaalsContact O-N 3.13Å
61	Y	39.7	Very low	47.4	Very low	163 Å²	163	103.5 Å²	103.5	64%	0.639	53%	0.531	S	S	*	.	H	α-helix	trans	-106	3.2	-167.9	-66.3	-71.8	0	0	0	113.6	L57 V63	L57-Y61 HydrophobicContact CD2-CD2 4.32Å; L57-Y61 HydrophobicContact CD2-CE2 4.15Å; L57-Y61 PolarHBondContact O-N 3.49Å; Y61-V63 HydrophobicContact CG-CG2 4.48Å; Y61-V63 WeakPolarHBondContact O-CG2 3.5Å; Y61-V63 PolarHBondContact O-N 3.33Å
62	G	39.3	Very low	50.2	Low	70 Å²	70	101.8 Å²	101.8	72%	0.722	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	30.6	179.2	0	0	0	0	0	112.2	I58 D64	I58-G62 WeakPolarHBondContact O-CA 3.27Å; I58-G62 PolarHBondContact O-N 2.65Å; G62-D64 PolarHBondContact O-N 2.92Å
63	V	38.8	Very low	53	Low	36 Å²	36	92.4 Å²	92.4	22%	0.218	48%	0.48	C	S	.	.			trans	-79.8	124	-167.3	-162	0	0	0	0	108.2	Y61 S65 M67 F69	Y61-V63 HydrophobicContact CG-CG2 4.48Å; Y61-V63 WeakPolarHBondContact O-CG2 3.5Å; Y61-V63 PolarHBondContact O-N 3.33Å; V63-S65 PolarHBondContact O-N 3.05Å; V63-S65 VanDerWaalsContact O-N 3.16Å; V63-M67 HydrophobicContact CG1-CB 3.91Å; V63-M67 HydrophobicContact CG1-CG 4.39Å; V63-F69 HydrophobicContact CB-CE2 4.35Å; V63-F69 HydrophobicContact CG1-CE2 3.72Å; V63-F69 HydrophobicContact CG1-CZ 3.92Å; V63-F69 HydrophobicContact CG2-CZ 4.49Å
64	D	38.5	Very low	55.6	Low	88 Å²	88	87.5 Å²	87.5	47%	0.471	45%	0.454	S	S	.	.			trans	-48.8	122.8	169.6	-175.4	-1.8	0	0	0	109.3	G62 Q66 M67	G62-D64 PolarHBondContact O-N 2.92Å; D64-Q66 PolarHBondContact O-N 2.86Å; D64-Q66 WeakPolarHBondContact OD1-CB 3.44Å; D64-Q66 PolarHBondContact OD1-N 3.22Å; D64-M67 HydrophobicContact CB-CG 4.48Å; D64-M67 WeakPolarHBondContact O-CB 3.4Å; D64-M67 PolarHBondContact O-N 3.48Å
65	S	42.2	Very low	58.3	Low	110 Å²	110	81.7 Å²	81.7	77%	0.769	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-16	172.8	59.9	0	0	0	0	113.4	V63	V63-S65 PolarHBondContact O-N 3.05Å; V63-S65 VanDerWaalsContact O-N 3.16Å
66	Q	41.8	Very low	60.7	Low	159 Å²	159	75.7 Å²	75.7	74%	0.743	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-12.3	173.4	-59.1	-166.9	-1.1	0	0	115	D64 N68	D64-Q66 PolarHBondContact O-N 2.86Å; D64-Q66 WeakPolarHBondContact OD1-CB 3.44Å; D64-Q66 PolarHBondContact OD1-N 3.22Å; Q66-N68 PolarHBondContact O-N 3.11Å
67	M	39.9	Very low	63.1	Low	129 Å²	129	70.1 Å²	70.1	64%	0.635	37%	0.373	S	S	*	.	S	Bend	trans	-68.4	93	168.1	-81.5	-71.5	-79.1	0	0	107.8	V63 D64 F69	V63-M67 HydrophobicContact CG1-CB 3.91Å; V63-M67 HydrophobicContact CG1-CG 4.39Å; D64-M67 HydrophobicContact CB-CG 4.48Å; D64-M67 WeakPolarHBondContact O-CB 3.4Å; D64-M67 PolarHBondContact O-N 3.48Å; M67-F69 VanDerWaalsContact C-N 3.32Å; M67-F69 WeakPolarHBondContact O-CD2 3.26Å; M67-F69 PolarHBondContact O-N 3.38Å
68	N	50	Low	66	Low	46 Å²	46	65.5 Å²	65.5	25%	0.246	35%	0.349	C	S	.	.			trans	-63.9	89.2	-172.9	-151.5	7.4	0	0	0	108.6	Q66 G70	Q66-N68 PolarHBondContact O-N 3.11Å; N68-G70 PolarHBondContact O-N 3.04Å
69	F	57	Low	68.4	Low	170 Å²	170	61.9 Å²	61.9	75%	0.746	33%	0.331	S	S	*	.			trans	-63.4	20.6	170.7	-75.2	-81.9	0	0	0	113	V63 M67	V63-F69 HydrophobicContact CB-CE2 4.35Å; V63-F69 HydrophobicContact CG1-CE2 3.72Å; V63-F69 HydrophobicContact CG1-CZ 3.92Å; V63-F69 HydrophobicContact CG2-CZ 4.49Å; M67-F69 VanDerWaalsContact C-N 3.32Å; M67-F69 WeakPolarHBondContact O-CD2 3.26Å; M67-F69 PolarHBondContact O-N 3.38Å
70	G	81.9	Confident	70.7	Confident	12 Å²	12	55.9 Å²	55.9	12%	0.124	30%	0.298	C	S	.	.	S	Bend	trans	-97.1	178.6	178.6	0	0	0	0	0	113.3	N68 Q72	N68-G70 PolarHBondContact O-N 3.04Å; G70-Q72 PolarHBondContact O-N 3.26Å
71	L	95	Very high	73.2	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.275	C	S	.	.			trans	-58.9	135.4	175.8	-64.4	177	0	0	0	110.9	I74 Y138 F141 A144 Y160 A163	L71-I74 HydrophobicContact CB-CG1 4.26Å; L71-I74 HydrophobicContact CD1-CG1 3.97Å; L71-Y138 HydrophobicContact CD1-CD1 4.07Å; L71-Y138 HydrophobicContact CD1-CD2 3.65Å; L71-Y138 HydrophobicContact CD1-CE1 4.24Å; L71-Y138 HydrophobicContact CD1-CE2 3.81Å; L71-Y138 HydrophobicContact CD1-CG 3.77Å; L71-Y138 HydrophobicContact CD2-CD1 4.14Å; L71-Y138 HydrophobicContact CD2-CG 4.02Å; L71-Y138 HydrophobicContact CG-CD1 4.49Å; L71-Y138 HydrophobicContact CG-CD2 4.21Å; L71-Y138 HydrophobicContact CG-CG 4.02Å; L71-F141 HydrophobicContact CD2-CB 4.3Å; L71-A144 HydrophobicContact CD1-CB 3.69Å; L71-A144 HydrophobicContact CD2-CB 3.98Å; L71-Y160 HydrophobicContact CB-CD2 4.37Å; L71-Y160 HydrophobicContact CB-CG 4.4Å; L71-Y160 HydrophobicContact CD1-CD2 4.32Å; L71-Y160 HydrophobicContact CD1-CE2 4.14Å; L71-Y160 HydrophobicContact CG-CE2 4.35Å; L71-A163 WeakPolarHBondContact O-CB 3.47Å
72	Q	96.9	Very high	75.8	Confident	72 Å²	72	44.5 Å²	44.5	34%	0.336	25%	0.254	S	S	.	.	S	Bend	trans	-92.8	-27.3	171.7	-59.4	-62.6	-40.2	0	0	111.4	G70 Y94 V142 A163 K164	G70-Q72 PolarHBondContact O-N 3.26Å; Q72-Y94 HydrophobicContact CB-CE1 4.09Å; Q72-Y94 HydrophobicContact CG-CE1 4.38Å; Q72-V142 HydrophobicContact CB-CG2 4.04Å; Q72-V142 HydrophobicContact CG-CG2 3.77Å; Q72-V142 PolarHBondContact N-O 3.48Å; Q72-A163 WeakPolarHBondContact O-CA 3.47Å; Q72-K164 PolarHBondContact O-N 3.2Å
73	V	98.7	Very high	78.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	131.5	179.3	-179	0	0	0	0	110.9	L90 Y94 V142 A143 A144 K164 I166 L268	V73-L90 HydrophobicContact CB-CD1 4.36Å; V73-L90 HydrophobicContact CB-CD2 4.38Å; V73-L90 HydrophobicContact CG1-CD1 3.86Å; V73-L90 HydrophobicContact CG1-CD2 4.14Å; V73-L90 HydrophobicContact CG2-CD2 4.11Å; V73-Y94 HydrophobicContact CG2-CE2 3.81Å; V73-V142 PolarHBondContact N-O 2.8Å; V73-A143 HydrophobicContact CB-CB 3.82Å; V73-A143 CarbonylContact O-C 3.42Å; V73-A143 WeakPolarHBondContact O-CA 3.42Å; V73-A144 PolarHBondContact O-N 3.49Å; V73-K164 CarbonylContact C-O 3.59Å; V73-K164 VanDerWaalsContact CA-O 3.3Å; V73-K164 WeakPolarHBondContact CA-O 3.45Å; V73-I166 HydrophobicContact CG1-CD1 3.62Å; V73-I166 HydrophobicContact CG1-CG1 3.92Å; V73-L268 HydrophobicContact CG2-CD1 4.38Å; V73-L268 HydrophobicContact CG2-CD2 3.64Å
74	I	98.8	Very high	81.3	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.4	173.5	-61.3	160.3	0	0	0	108.6	L71 A144 T149 L156 Y160 A163 K164 I165 I166	L71-I74 HydrophobicContact CB-CG1 4.26Å; L71-I74 HydrophobicContact CD1-CG1 3.97Å; I74-A144 CarbonylContact C-O 3.57Å; I74-A144 WeakPolarHBondContact CA-O 3.39Å; I74-T149 HydrophobicContact CG2-CG2 4.1Å; I74-L156 HydrophobicContact CD1-CB 3.77Å; I74-L156 HydrophobicContact CG2-CB 4.5Å; I74-Y160 HydrophobicContact CD1-CD2 4.27Å; I74-A163 HydrophobicContact CD1-CB 3.71Å; I74-A163 HydrophobicContact CG1-CB 4.08Å; I74-K164 PolarHBondContact N-O 3Å; I74-I165 HydrophobicContact CB-CD1 3.75Å; I74-I165 HydrophobicContact CD1-CD1 3.97Å; I74-I165 HydrophobicContact CG1-CD1 4.38Å; I74-I165 HydrophobicContact CG2-CD1 4.34Å; I74-I165 CarbonylContact O-C 3.54Å; I74-I165 VanDerWaalsContact O-CA 3.31Å; I74-I165 WeakPolarHBondContact O-CA 3.48Å; I74-I166 PolarHBondContact O-N 2.8Å
75	G	98.8	Very high	84.1	Confident	2 Å²	2	36 Å²	36	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.3	175.8	0	0	0	0	0	111.2	A144 A150 I166	G75-A144 PolarHBondContact N-O 3.16Å; G75-A150 WeakPolarHBondContact O-CA 3.44Å; G75-I166 CarbonylContact C-O 3.49Å; G75-I166 WeakPolarHBondContact CA-O 3.37Å
76	A	98.7	Very high	86.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.			trans	-97.7	-6.5	175.7	0	0	0	0	0	113.1	Y153 I165 I166 L167 W239 V243	A76-Y153 HydrophobicContact CB-CD1 4.4Å; A76-Y153 HydrophobicContact CB-CD2 3.94Å; A76-Y153 HydrophobicContact CB-CG 3.74Å; A76-I165 HydrophobicContact CB-CG2 3.98Å; A76-I166 PolarHBondContact N-O 3.31Å; A76-L167 HydrophobicContact CB-CD1 4.33Å; A76-W239 PolarHBondContact O-NE1 3Å; A76-V243 HydrophobicContact CB-CG1 3.63Å; A76-V243 HydrophobicContact CB-CG2 4.04Å
77	G	98.4	Very high	89.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.			trans	-72.7	138.8	179.3	0	0	0	0	0	113	T83 A150 T168	G77-T83 WeakPolarHBondContact O-CG2 3.28Å; G77-A150 WeakPolarHBondContact O-CB 3.32Å; G77-T168 WeakPolarHBondContact CA-OG1 3.4Å
78	L	97.5	Very high	92.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.			trans	-73.2	167.5	177.1	-57.4	-169.7	0	0	0	111.9	S81 T83 A150 W175 T219 L220 Y236 W239	L78-S81 PolarHBondContact O-OG 3.16Å; L78-T83 WeakPolarHBondContact O-CG2 3.33Å; L78-A150 HydrophobicContact CD2-CB 4.38Å; L78-W175 HydrophobicContact CB-CZ2 4.31Å; L78-W175 HydrophobicContact CD1-CZ2 4.27Å; L78-T219 HydrophobicContact CD2-CG2 4.14Å; L78-L220 HydrophobicContact CD1-CD2 3.88Å; L78-Y236 HydrophobicContact CB-CE2 4.46Å; L78-Y236 HydrophobicContact CD1-CD2 4.13Å; L78-W239 HydrophobicContact CD1-CB 4.41Å; L78-W239 HydrophobicContact CD1-CD2 4.21Å; L78-W239 HydrophobicContact CD1-CG 3.94Å; L78-W239 HydrophobicContact CD2-CD2 3.87Å; L78-W239 VanDerWaalsContact CD2-CE2 3.41Å; L78-W239 HydrophobicContact CD2-CG 4.25Å; L78-W239 HydrophobicContact CD2-CH2 4.4Å; L78-W239 HydrophobicContact CD2-CZ2 3.72Å; L78-W239 HydrophobicContact CG-CD2 4.2Å; L78-W239 HydrophobicContact CG-CG 4.05Å
79	M	94.6	Very high	94.5	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.034	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.8	149.6	171.2	64.7	-159.4	166.7	0	0	112.3	S81 Y147 W175 T183 L184 F216 L220	M79-S81 PolarHBondContact O-N 3.25Å; M79-Y147 HydrophobicContact CB-CD2 3.93Å; M79-Y147 HydrophobicContact CB-CE2 3.76Å; M79-Y147 HydrophobicContact CE-CE2 4.36Å; M79-Y147 HydrophobicContact CG-CD2 4.4Å; M79-Y147 HydrophobicContact CG-CE2 3.77Å; M79-Y147 HydrophobicContact SD-CD2 4.31Å; M79-Y147 HydrophobicContact SD-CE2 3.67Å; M79-W175 HydrophobicContact CE-CZ2 4.29Å; M79-W175 PolarHBondContact O-NE1 2.88Å; M79-T183 HydrophobicContact CB-CG2 4.44Å; M79-T183 HydrophobicContact SD-CG2 4.1Å; M79-T183 PolarHBondContact SD-OG1 3.3Å; M79-L184 HydrophobicContact CE-CD1 4.03Å; M79-L184 HydrophobicContact CE-CD2 3.59Å; M79-L184 HydrophobicContact CE-CG 3.86Å; M79-L184 HydrophobicContact SD-CD2 4.47Å; M79-F216 HydrophobicContact CE-CD1 4.04Å; M79-F216 HydrophobicContact CE-CE1 3.76Å; M79-F216 HydrophobicContact CE-CZ 4.27Å; M79-F216 HydrophobicContact SD-CD1 4.15Å; M79-F216 HydrophobicContact SD-CE1 3.31Å; M79-F216 WeakPolarHBondContact SD-CE1 3.4Å; M79-F216 HydrophobicContact SD-CZ 3.72Å; M79-L220 HydrophobicContact CE-CD1 3.67Å
80	R	94	Very high	96.5	Very high	10 Å²	10	10 Å²	10	4%	0.038	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	6.1	173.5	-47.7	-52.6	-61.5	148.1	3	116.5	R170 S178 T182 T183 N283 M288	R80-R170 WeakPolarHBondContact O-CD 3.42Å; R80-R170 PolarHBondContact O-NH1 2.93Å; R80-S178 PolarHBondContact NE-OG 3.2Å; R80-S178 PolarHBondContact NH2-OG 3.49Å; R80-S178 VanDerWaalsContact NH2-OG 3.1Å; R80-T182 WeakPolarHBondContact CD-OG1 3.31Å; R80-T182 PolarHBondContact NE-OG1 3.25Å; R80-T183 HydrophobicContact CG-CG2 4.32Å; R80-N283 PolarHBondContact NH1-ND2 3.3Å; R80-N283 VanDerWaalsContact NH1-ND2 3.11Å; R80-N283 PolarHBondContact NH1-O 2.98Å; R80-N283 PolarHBondContact NH1-OD1 2.99Å; R80-N283 PolarHBondContact NH2-O 2.87Å; R80-M288 VanDerWaalsContact CD-SD 3.56Å; R80-M288 PolarHBondContact NH1-SD 2.91Å
81	S	95.8	Very high	97.2	Very high	5 Å²	5	11.3 Å²	11.3	4%	0.035	6%	0.059	C	C	.	.	S	Bend	trans	-96.9	11.4	171.2	64.2	0	0	0	0	114.9	L78 M79 T168 Y236	L78-S81 PolarHBondContact O-OG 3.16Å; M79-S81 PolarHBondContact O-N 3.25Å; S81-T168 WeakPolarHBondContact CB-O 3.47Å; S81-T168 WeakPolarHBondContact O-CB 3.42Å; S81-T168 WeakPolarHBondContact OG-CB 3.47Å; S81-T168 PolarHBondContact OG-O 3.48Å; S81-T168 PolarHBondContact OG-OG1 3.1Å; S81-Y236 WeakPolarHBondContact CB-OH 3.13Å
82	G	95.5	Very high	97.4	Very high	18 Å²	18	15 Å²	15	19%	0.186	7%	0.073	C	C	.	.	S	Bend	trans	105.4	10.7	179.3	0	0	0	0	0	114.8	T84 S85 L86	G82-T84 PolarHBondContact O-N 3.35Å; G82-T84 VanDerWaalsContact O-N 3.17Å; G82-S85 WeakPolarHBondContact O-CB 3.3Å; G82-S85 PolarHBondContact O-N 2.84Å; G82-S85 VanDerWaalsContact O-N 3.07Å; G82-L86 PolarHBondContact O-N 3.12Å
83	T	97.1	Very high	97.4	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.018	6%	0.061	C	C	.	.	H	α-helix	trans	-54.4	-34.8	-179.9	55.9	0	0	0	0	114.5	G77 L78 L86 K87 D146 T168	G77-T83 WeakPolarHBondContact O-CG2 3.28Å; L78-T83 WeakPolarHBondContact O-CG2 3.33Å; T83-L86 PolarHBondContact O-N 3.26Å; T83-K87 PolarHBondContact O-N 3.16Å; T83-D146 WeakPolarHBondContact CB-OD1 3.42Å; T83-D146 HydrophobicContact CG2-CB 4.16Å; T83-D146 PolarHBondContact OG1-OD1 2.87Å; T83-T168 WeakPolarHBondContact CG2-OG1 3.42Å
84	T	95.9	Very high	97.3	Very high	9 Å²	9	15 Å²	15	6%	0.055	7%	0.072	C	C	.	.	H	α-helix	trans	-70.1	-43.7	176.4	-53	0	0	0	0	112	G82 L86 K87 F88 H100 L282 N283	G82-T84 PolarHBondContact O-N 3.35Å; G82-T84 VanDerWaalsContact O-N 3.17Å; T84-L86 VanDerWaalsContact C-N 3.29Å; T84-L86 PolarHBondContact O-N 2.91Å; T84-K87 WeakPolarHBondContact O-CB 3.36Å; T84-K87 PolarHBondContact O-N 3.16Å; T84-F88 HydrophobicContact CG2-CD2 4.06Å; T84-F88 HydrophobicContact CG2-CE2 3.88Å; T84-F88 VanDerWaalsContact O-CD2 3.27Å; T84-F88 WeakPolarHBondContact O-CD2 3.4Å; T84-F88 PolarHBondContact O-N 3.27Å; T84-H100 WeakPolarHBondContact CA-NE2 3.18Å; T84-H100 PolarHBondContact N-NE2 2.94Å; T84-H100 PolarHBondContact OG1-NE2 3.25Å; T84-L282 HydrophobicContact CG2-CB 4.13Å; T84-N283 HydrophobicContact CG2-CB 4.02Å; T84-N283 PolarHBondContact OG1-ND2 3.35Å
85	S	96.9	Very high	97.2	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.028	10%	0.104	C	C	.	.	H	α-helix	trans	-56.9	-46.3	172.5	-75.6	0	0	0	0	111.2	G82 K87 F88 A89 P280 L282	G82-S85 WeakPolarHBondContact O-CB 3.3Å; G82-S85 PolarHBondContact O-N 2.84Å; G82-S85 VanDerWaalsContact O-N 3.07Å; S85-K87 PolarHBondContact O-N 2.98Å; S85-F88 PolarHBondContact O-N 3.15Å; S85-A89 WeakPolarHBondContact O-CB 3.2Å; S85-A89 PolarHBondContact O-N 2.95Å; S85-P280 WeakPolarHBondContact CB-O 3.33Å; S85-P280 PolarHBondContact OG-O 3.38Å; S85-L282 PolarHBondContact OG-N 2.92Å
86	L	98.5	Very high	97	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.3	-44	177.3	-178.7	61.9	0	0	0	112.3	G82 T83 T84 F88 A89 L90 V145 I166 T168 L264 Y279	G82-L86 PolarHBondContact O-N 3.12Å; T83-L86 PolarHBondContact O-N 3.26Å; T84-L86 VanDerWaalsContact C-N 3.29Å; T84-L86 PolarHBondContact O-N 2.91Å; L86-F88 VanDerWaalsContact C-N 3.34Å; L86-F88 PolarHBondContact O-N 2.9Å; L86-A89 PolarHBondContact O-N 3.07Å; L86-L90 HydrophobicContact CD1-CD1 4.02Å; L86-L90 HydrophobicContact CD1-CD2 4.39Å; L86-L90 HydrophobicContact CD1-CG 3.95Å; L86-L90 HydrophobicContact CD2-CD1 4.45Å; L86-L90 HydrophobicContact CG-CD1 3.83Å; L86-L90 HydrophobicContact CG-CG 4.22Å; L86-L90 WeakPolarHBondContact O-CB 3.38Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.24Å; L86-L90 PolarHBondContact O-N 2.78Å; L86-V145 HydrophobicContact CD2-CG1 3.94Å; L86-V145 HydrophobicContact CG-CG1 4.31Å; L86-I166 HydrophobicContact CD1-CD1 4.09Å; L86-I166 HydrophobicContact CD1-CG2 4.43Å; L86-I166 HydrophobicContact CD2-CB 4.08Å; L86-I166 HydrophobicContact CD2-CD1 4.46Å; L86-I166 HydrophobicContact CD2-CG2 3.7Å; L86-T168 HydrophobicContact CB-CG2 4.24Å; L86-T168 HydrophobicContact CD2-CG2 3.69Å; L86-L264 HydrophobicContact CD1-CD1 3.91Å; L86-L264 HydrophobicContact CD1-CD2 4.09Å; L86-Y279 WeakPolarHBondContact CA-OH 3.2Å; L86-Y279 PolarHBondContact N-OH 2.96Å
87	K	98.1	Very high	96.8	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-51.9	-52.3	175.2	-179.7	-156.8	-170.5	-60.1	0	111.5	T83 T84 S85 A89 L90 E91 C98 H100 V145	T83-K87 PolarHBondContact O-N 3.16Å; T84-K87 WeakPolarHBondContact O-CB 3.36Å; T84-K87 PolarHBondContact O-N 3.16Å; S85-K87 PolarHBondContact O-N 2.98Å; K87-A89 VanDerWaalsContact C-N 3.35Å; K87-L90 PolarHBondContact O-N 3.48Å; K87-E91 IonicContact NZ-OE1 3.63Å; K87-E91 PolarHBondContact NZ-OE1 2.91Å; K87-E91 IonicContact NZ-OE2 3.89Å; K87-E91 PolarHBondContact NZ-OE2 2.93Å; K87-E91 WeakPolarHBondContact O-CG 3.32Å; K87-E91 PolarHBondContact O-N 2.96Å; K87-C98 HydrophobicContact CB-CB 4.46Å; K87-C98 WeakPolarHBondContact CE-O 3.5Å; K87-C98 HydrophobicContact CG-CB 3.69Å; K87-C98 PolarHBondContact NZ-O 3.17Å; K87-H100 HydrophobicContact CD-CB 3.73Å; K87-H100 HydrophobicContact CG-CB 4.15Å; K87-V145 HydrophobicContact CB-CG2 3.98Å
88	F	97.8	Very high	96.8	Very high	66 Å²	66	31.3 Å²	31.3	29%	0.289	14%	0.143	S	C	.	.	H	α-helix	trans	-70.4	-32.6	-177.8	-76.6	-79.5	0	0	0	112.7	T84 S85 L86 E91 Y92 P280 L282	T84-F88 HydrophobicContact CG2-CD2 4.06Å; T84-F88 HydrophobicContact CG2-CE2 3.88Å; T84-F88 VanDerWaalsContact O-CD2 3.27Å; T84-F88 WeakPolarHBondContact O-CD2 3.4Å; T84-F88 PolarHBondContact O-N 3.27Å; S85-F88 PolarHBondContact O-N 3.15Å; L86-F88 VanDerWaalsContact C-N 3.34Å; L86-F88 PolarHBondContact O-N 2.9Å; F88-E91 PolarHBondContact O-N 2.64Å; F88-Y92 WeakPolarHBondContact O-CB 3.35Å; F88-Y92 PolarHBondContact O-N 3.06Å; F88-P280 HydrophobicContact CB-CB 4.14Å; F88-P280 HydrophobicContact CB-CG 4.15Å; F88-L282 HydrophobicContact CB-CD1 4.09Å; F88-L282 HydrophobicContact CD1-CD1 4.41Å; F88-L282 HydrophobicContact CD2-CD1 3.11Å; F88-L282 HydrophobicContact CE2-CD1 3.42Å; F88-L282 VanDerWaalsContact CE2-CD1 3.42Å; F88-L282 HydrophobicContact CG-CD1 3.64Å; F88-L282 HydrophobicContact CZ-CD1 4.16Å
89	A	98.6	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.9	-45.1	172.9	0	0	0	0	0	111.5	S85 L86 K87 Y92 L93 W261 L264 Y279 P280	S85-A89 WeakPolarHBondContact O-CB 3.2Å; S85-A89 PolarHBondContact O-N 2.95Å; L86-A89 PolarHBondContact O-N 3.07Å; K87-A89 VanDerWaalsContact C-N 3.35Å; A89-Y92 WeakPolarHBondContact O-CB 3.25Å; A89-Y92 PolarHBondContact O-N 3Å; A89-L93 WeakPolarHBondContact O-CG 3.42Å; A89-L93 PolarHBondContact O-N 3.47Å; A89-W261 HydrophobicContact CB-CH2 3.81Å; A89-W261 HydrophobicContact CB-CZ3 3.61Å; A89-L264 HydrophobicContact CB-CD2 3.78Å; A89-Y279 HydrophobicContact CB-CD2 4.23Å; A89-Y279 HydrophobicContact CB-CE2 3.45Å; A89-Y279 VanDerWaalsContact CB-CE2 3.45Å; A89-P280 HydrophobicContact CB-CG 4.34Å
90	L	98.6	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-40.6	176.7	-66.4	171.7	0	0	0	111.9	V73 L86 K87 Y92 L93 Y94 A143 V145 I166 L264 L268	V73-L90 HydrophobicContact CB-CD1 4.36Å; V73-L90 HydrophobicContact CB-CD2 4.38Å; V73-L90 HydrophobicContact CG1-CD1 3.86Å; V73-L90 HydrophobicContact CG1-CD2 4.14Å; V73-L90 HydrophobicContact CG2-CD2 4.11Å; L86-L90 HydrophobicContact CD1-CD1 4.02Å; L86-L90 HydrophobicContact CD1-CD2 4.39Å; L86-L90 HydrophobicContact CD1-CG 3.95Å; L86-L90 HydrophobicContact CD2-CD1 4.45Å; L86-L90 HydrophobicContact CG-CD1 3.83Å; L86-L90 HydrophobicContact CG-CG 4.22Å; L86-L90 WeakPolarHBondContact O-CB 3.38Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.24Å; L86-L90 PolarHBondContact O-N 2.78Å; K87-L90 PolarHBondContact O-N 3.48Å; L90-Y92 VanDerWaalsContact C-N 3.28Å; L90-Y92 PolarHBondContact O-N 2.78Å; L90-L93 PolarHBondContact O-N 2.86Å; L90-Y94 HydrophobicContact CD2-CD2 4.36Å; L90-Y94 HydrophobicContact CD2-CE2 4.06Å; L90-Y94 WeakPolarHBondContact O-CB 3.42Å; L90-Y94 WeakPolarHBondContact O-CD2 3.42Å; L90-Y94 PolarHBondContact O-N 2.93Å; L90-A143 HydrophobicContact CB-CB 4.4Å; L90-A143 HydrophobicContact CD1-CB 3.81Å; L90-V145 HydrophobicContact CD1-CG1 3.76Å; L90-I166 HydrophobicContact CD2-CD1 4.46Å; L90-L264 HydrophobicContact CD2-CD1 4.49Å; L90-L268 HydrophobicContact CD2-CD1 3.57Å
91	E	97.9	Very high	97.1	Very high	40 Å²	40	31.6 Å²	31.6	19%	0.187	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-37.3	174	-72.3	-177.7	151.5	0	0	111.9	K87 F88 K95 K96 Q97 C98	K87-E91 IonicContact NZ-OE1 3.63Å; K87-E91 PolarHBondContact NZ-OE1 2.91Å; K87-E91 IonicContact NZ-OE2 3.89Å; K87-E91 PolarHBondContact NZ-OE2 2.93Å; K87-E91 WeakPolarHBondContact O-CG 3.32Å; K87-E91 PolarHBondContact O-N 2.96Å; F88-E91 PolarHBondContact O-N 2.64Å; E91-K95 WeakPolarHBondContact O-CA 3.44Å; E91-K95 PolarHBondContact O-N 3.26Å; E91-K96 WeakPolarHBondContact CG-O 3.42Å; E91-Q97 WeakPolarHBondContact OE1-CA 3.44Å; E91-C98 HydrophobicContact CG-CB 3.78Å; E91-C98 PolarHBondContact OE1-N 2.94Å
92	Y	97.7	Very high	97	Very high	77 Å²	77	35 Å²	35	30%	0.302	16%	0.158	S	C	.	.	H	α-helix	trans	-65.4	-44.6	174.3	177.7	-85.3	0	0	0	112	F88 A89 L90 K95 W261 P273 I277	F88-Y92 WeakPolarHBondContact O-CB 3.35Å; F88-Y92 PolarHBondContact O-N 3.06Å; A89-Y92 WeakPolarHBondContact O-CB 3.25Å; A89-Y92 PolarHBondContact O-N 3Å; L90-Y92 VanDerWaalsContact C-N 3.28Å; L90-Y92 PolarHBondContact O-N 2.78Å; Y92-K95 VanDerWaalsContact O-CD 3.27Å; Y92-K95 WeakPolarHBondContact O-CD 3.23Å; Y92-K95 WeakPolarHBondContact O-CE 3.49Å; Y92-K95 PolarHBondContact O-NZ 3.28Å; Y92-W261 AromaticContact CD1-CH2 3.78Å; Y92-W261 HydrophobicContact CD1-CH2 3.78Å; Y92-W261 HydrophobicContact CD1-CZ2 4.29Å; Y92-W261 HydrophobicContact CD1-CZ3 4.36Å; Y92-W261 HydrophobicContact CG-CH2 4.08Å; Y92-P273 HydrophobicContact CD1-CG 4.39Å; Y92-P273 HydrophobicContact CE1-CB 4.14Å; Y92-P273 HydrophobicContact CE1-CG 3.73Å; Y92-I277 HydrophobicContact CE2-CD1 4.24Å; Y92-I277 HydrophobicContact CE2-CG2 4.01Å; Y92-I277 WeakPolarHBondContact OH-CD1 3.44Å
93	L	97.9	Very high	97	Very high	17 Å²	17	34.8 Å²	34.8	9%	0.089	15%	0.152	C	C	.	.	H	α-helix	trans	-72.4	-48	-176.9	-67.3	174.3	0	0	0	112.3	A89 L90 W261 L264 L268 F270	A89-L93 WeakPolarHBondContact O-CG 3.42Å; A89-L93 PolarHBondContact O-N 3.47Å; L90-L93 PolarHBondContact O-N 2.86Å; L93-W261 HydrophobicContact CD1-CZ3 4.14Å; L93-W261 HydrophobicContact CD2-CZ3 4.17Å; L93-W261 HydrophobicContact CG-CZ3 3.98Å; L93-L264 HydrophobicContact CD1-CD2 4.07Å; L93-L264 HydrophobicContact CD1-CG 4.17Å; L93-L268 HydrophobicContact CD1-CD1 4.12Å; L93-F270 HydrophobicContact CB-CD1 4.35Å; L93-F270 HydrophobicContact CB-CD2 4.25Å; L93-F270 HydrophobicContact CB-CE1 4.41Å; L93-F270 HydrophobicContact CB-CE2 4.31Å; L93-F270 HydrophobicContact CB-CG 4.27Å; L93-F270 HydrophobicContact CB-CZ 4.39Å; L93-F270 HydrophobicContact CD1-CD2 4.35Å; L93-F270 HydrophobicContact CD2-CB 3.99Å; L93-F270 HydrophobicContact CD2-CD1 4.49Å; L93-F270 HydrophobicContact CD2-CG 4.16Å; L93-F270 WeakPolarHBondContact O-CE1 3.4Å
94	Y	96.7	Very high	96.9	Very high	57 Å²	57	34.7 Å²	34.7	22%	0.224	15%	0.151	C	C	.	.	H	α-helix	trans	-88.1	-10.4	-175.8	-74.3	-81.4	0	0	0	114.3	Q72 V73 L90 K96 V142 L268 F270	Q72-Y94 HydrophobicContact CB-CE1 4.09Å; Q72-Y94 HydrophobicContact CG-CE1 4.38Å; V73-Y94 HydrophobicContact CG2-CE2 3.81Å; L90-Y94 HydrophobicContact CD2-CD2 4.36Å; L90-Y94 HydrophobicContact CD2-CE2 4.06Å; L90-Y94 WeakPolarHBondContact O-CB 3.42Å; L90-Y94 WeakPolarHBondContact O-CD2 3.42Å; L90-Y94 PolarHBondContact O-N 2.93Å; Y94-K96 PolarHBondContact O-N 3.46Å; Y94-K96 VanDerWaalsContact O-N 3.08Å; Y94-V142 HydrophobicContact CD1-CG2 3.51Å; Y94-V142 HydrophobicContact CD2-CG1 4.25Å; Y94-V142 HydrophobicContact CD2-CG2 4.39Å; Y94-V142 HydrophobicContact CE1-CG2 4.03Å; Y94-V142 HydrophobicContact CG-CB 4.46Å; Y94-V142 HydrophobicContact CG-CG1 3.93Å; Y94-V142 HydrophobicContact CG-CG2 3.72Å; Y94-L268 HydrophobicContact CE2-CD1 4.16Å; Y94-F270 HydrophobicContact CD1-CE2 4.28Å; Y94-F270 AromaticContact CD1-CZ 3.77Å; Y94-F270 HydrophobicContact CD1-CZ 3.77Å; Y94-F270 HydrophobicContact CD2-CE2 4.38Å; Y94-F270 HydrophobicContact CD2-CZ 4.41Å; Y94-F270 AromaticContact CE1-CE2 3.8Å; Y94-F270 HydrophobicContact CE1-CE2 3.8Å; Y94-F270 AromaticContact CE1-CZ 3.66Å; Y94-F270 HydrophobicContact CE1-CZ 3.66Å; Y94-F270 AromaticContact CE2-CE2 3.9Å; Y94-F270 HydrophobicContact CE2-CE2 3.9Å; Y94-F270 HydrophobicContact CE2-CZ 4.3Å; Y94-F270 HydrophobicContact CG-CZ 4.16Å; Y94-F270 AromaticContact CZ-CE2 3.59Å; Y94-F270 AromaticContact CZ-CZ 3.94Å
95	K	95.4	Very high	96.8	Very high	153 Å²	153	35.4 Å²	35.4	67%	0.665	16%	0.155	S	C	*	.	S	Bend	trans	52.6	29.1	-174.2	-51.5	-58.7	-177.3	-160.2	0	113.4	E91 Y92	E91-K95 WeakPolarHBondContact O-CA 3.44Å; E91-K95 PolarHBondContact O-N 3.26Å; Y92-K95 VanDerWaalsContact O-CD 3.27Å; Y92-K95 WeakPolarHBondContact O-CD 3.23Å; Y92-K95 WeakPolarHBondContact O-CE 3.49Å; Y92-K95 PolarHBondContact O-NZ 3.28Å
96	K	95	Very high	96.6	Very high	93 Å²	93	39.1 Å²	39.1	40%	0.404	18%	0.175	S	C	.	.	S	Bend	trans	-143	153.1	-177.7	-177.4	167.1	172.3	-169.5	0	109.7	E91 Y94 G140 V142	E91-K96 WeakPolarHBondContact CG-O 3.42Å; Y94-K96 PolarHBondContact O-N 3.46Å; Y94-K96 VanDerWaalsContact O-N 3.08Å; K96-G140 VanDerWaalsContact CE-C 3.43Å; K96-G140 WeakPolarHBondContact CE-O 3.3Å; K96-V142 HydrophobicContact CB-CB 4.02Å; K96-V142 HydrophobicContact CB-CG1 3.92Å; K96-V142 HydrophobicContact CD-CB 3.96Å; K96-V142 HydrophobicContact CG-CB 3.95Å; K96-V142 HydrophobicContact CG-CG1 4.21Å
97	Q	95.8	Very high	96.4	Very high	97 Å²	97	43.6 Å²	43.6	45%	0.453	20%	0.198	S	C	.	.			trans	-62.3	144	-171.6	-66.4	-175.1	-57.8	0	0	113	E91 F141 V142	E91-Q97 WeakPolarHBondContact OE1-CA 3.44Å; Q97-F141 HydrophobicContact CB-CD1 3.72Å; Q97-F141 HydrophobicContact CB-CE1 3.82Å; Q97-F141 WeakPolarHBondContact O-CA 3.37Å; Q97-V142 PolarHBondContact O-N 3.44Å
98	C	98	Very high	96.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122	171.8	178	0	0	0	0	110.4	K87 E91 A143	K87-C98 HydrophobicContact CB-CB 4.46Å; K87-C98 WeakPolarHBondContact CE-O 3.5Å; K87-C98 HydrophobicContact CG-CB 3.69Å; K87-C98 PolarHBondContact NZ-O 3.17Å; E91-C98 HydrophobicContact CG-CB 3.78Å; E91-C98 PolarHBondContact OE1-N 2.94Å; C98-A143 CarbonylContact C-O 3.58Å; C98-A143 VanDerWaalsContact CA-O 3.26Å; C98-A143 WeakPolarHBondContact CA-O 3.39Å; C98-A143 HydrophobicContact CB-CB 4.17Å
99	Y	98.5	Very high	96.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134	177	-160.1	-75.4	0	0	0	109.9	I108 H112 W116 I137 Y138 F141 A143 A144 V145	Y99-I108 HydrophobicContact CD2-CD1 4.3Å; Y99-I108 HydrophobicContact CE2-CD1 3.64Å; Y99-H112 AromaticContact CE2-CE1 3.96Å; Y99-H112 AromaticContact CE2-ND1 3.47Å; Y99-H112 WeakPolarHBondContact CE2-ND1 3.46Å; Y99-H112 AromaticContact CZ-ND1 3.66Å; Y99-H112 PolarHBondContact OH-ND1 3.47Å; Y99-W116 HydrophobicContact CE1-CZ2 4.3Å; Y99-W116 AromaticContact CE1-NE1 3.75Å; Y99-W116 AromaticContact CZ-NE1 3.62Å; Y99-W116 PolarHBondContact OH-NE1 2.97Å; Y99-I137 HydrophobicContact CE2-CG2 3.87Å; Y99-I137 WeakPolarHBondContact CE2-O 3.24Å; Y99-Y138 HydrophobicContact CD1-CE1 4.22Å; Y99-Y138 HydrophobicContact CD2-CD1 4.07Å; Y99-Y138 HydrophobicContact CD2-CE1 4.24Å; Y99-Y138 HydrophobicContact CG-CD1 4.11Å; Y99-Y138 AromaticContact CG-CE1 3.95Å; Y99-Y138 HydrophobicContact CG-CE1 3.95Å; Y99-F141 HydrophobicContact CD2-CD1 4.22Å; Y99-F141 AromaticContact CD2-CD2 3.74Å; Y99-F141 HydrophobicContact CD2-CD2 3.74Å; Y99-F141 HydrophobicContact CD2-CE1 4.07Å; Y99-F141 AromaticContact CD2-CE2 3.57Å; Y99-F141 HydrophobicContact CD2-CE2 3.57Å; Y99-F141 HydrophobicContact CD2-CG 4.06Å; Y99-F141 AromaticContact CD2-CZ 3.74Å; Y99-F141 HydrophobicContact CD2-CZ 3.74Å; Y99-F141 HydrophobicContact CE2-CE2 4.12Å; Y99-F141 HydrophobicContact CE2-CZ 4.36Å; Y99-F141 VanDerWaalsContact N-CD1 3.34Å; Y99-A143 PolarHBondContact N-O 3.47Å; Y99-A144 WeakPolarHBondContact O-CA 3.17Å; Y99-V145 PolarHBondContact O-N 3.24Å; Y99-V145 VanDerWaalsContact O-O 3.1Å
100	H	97.7	Very high	96	Very high	5 Å²	5	48 Å²	48	2%	0.023	22%	0.216	C	C	.	.			trans	-158.7	157.1	-179.8	-177	-51.6	0	0	0	108.7	T84 K87 R102 E103 L104 V145 D146	T84-H100 WeakPolarHBondContact CA-NE2 3.18Å; T84-H100 PolarHBondContact N-NE2 2.94Å; T84-H100 PolarHBondContact OG1-NE2 3.25Å; K87-H100 HydrophobicContact CD-CB 3.73Å; K87-H100 HydrophobicContact CG-CB 4.15Å; H100-R102 PolarHBondContact ND1-N 3.35Å; H100-R102 PolarHBondContact O-N 3.2Å; H100-E103 WeakPolarHBondContact O-CA 3.34Å; H100-E103 VanDerWaalsContact O-CB 3.28Å; H100-E103 WeakPolarHBondContact O-CB 3.44Å; H100-E103 PolarHBondContact O-N 2.88Å; H100-L104 PolarHBondContact O-N 3.42Å; H100-V145 WeakPolarHBondContact CA-O 3.46Å; H100-V145 HydrophobicContact CB-CG2 4.45Å; H100-D146 HydrophobicContact CB-CB 4.49Å; H100-D146 IonicContact CE1-OD1 2.64Å; H100-D146 IonicContact CE1-OD2 2.84Å; H100-D146 PolarHBondContact CE1-OD2 2.95Å; H100-D146 IonicContact ND1-OD2 2.67Å; H100-D146 PolarHBondContact ND1-OD2 2.86Å; H100-D146 VanDerWaalsContact ND1-OD2 3.11Å; H100-D146 IonicContact NE2-OD2 3.9Å
101	M	95.5	Very high	95.9	Very high	18 Å²	18	52 Å²	52	9%	0.089	24%	0.242	C	C	.	.	H	α-helix	trans	-45.3	-33.4	170.1	-162.7	67.9	-153.1	0	0	114.2	L104 V105 D146 Y147 L208 L211 H212 M215	M101-L104 HydrophobicContact CE-CD2 3.89Å; M101-L104 HydrophobicContact CE-CG 4.44Å; M101-L104 PolarHBondContact O-N 3.41Å; M101-L104 HydrophobicContact SD-CD2 3.89Å; M101-V105 HydrophobicContact CE-CG2 3.6Å; M101-V105 HydrophobicContact CG-CG2 4.33Å; M101-V105 WeakPolarHBondContact O-CB 3.46Å; M101-V105 VanDerWaalsContact O-CG2 3.29Å; M101-V105 WeakPolarHBondContact O-CG2 3.46Å; M101-V105 PolarHBondContact O-N 2.98Å; M101-D146 WeakPolarHBondContact CB-OD2 3.26Å; M101-Y147 WeakPolarHBondContact CA-O 3.17Å; M101-Y147 WeakPolarHBondContact CB-O 3.16Å; M101-Y147 PolarHBondContact N-O 2.7Å; M101-L208 HydrophobicContact CE-CD1 3.35Å; M101-L211 HydrophobicContact CE-CD2 4.28Å; M101-H212 WeakPolarHBondContact CE-NE2 3.47Å; M101-M215 HydrophobicContact CE-CE 4.24Å; M101-M215 HydrophobicContact SD-CE 3.88Å; M101-M215 HydrophobicContact SD-SD 4.48Å
102	R	93.8	Very high	95.8	Very high	78 Å²	78	51.2 Å²	51.2	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-66.2	-41.5	175.8	-169.8	177.7	73.1	73.9	1.5	112.3	H100 L104 V105 L106	H100-R102 PolarHBondContact ND1-N 3.35Å; H100-R102 PolarHBondContact O-N 3.2Å; R102-L104 VanDerWaalsContact C-N 3.34Å; R102-V105 PolarHBondContact O-N 2.96Å; R102-L106 HydrophobicContact CG-CD1 3.56Å; R102-L106 HydrophobicContact CG-CG 4.13Å; R102-L106 VanDerWaalsContact O-CB 3.28Å; R102-L106 WeakPolarHBondContact O-CB 3.3Å; R102-L106 WeakPolarHBondContact O-CG 3.36Å; R102-L106 PolarHBondContact O-N 3.37Å
103	E	95	Very high	95.8	Very high	13 Å²	13	47.5 Å²	47.5	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-44.2	175.1	-168.6	60.2	-144.9	0	0	110.2	H100 V105 N107 I108 F141	H100-E103 WeakPolarHBondContact O-CA 3.34Å; H100-E103 VanDerWaalsContact O-CB 3.28Å; H100-E103 WeakPolarHBondContact O-CB 3.44Å; H100-E103 PolarHBondContact O-N 2.88Å; E103-V105 PolarHBondContact O-N 2.77Å; E103-N107 WeakPolarHBondContact O-CB 3.34Å; E103-N107 PolarHBondContact O-N 2.94Å; E103-N107 VanDerWaalsContact OE1-CB 3.22Å; E103-N107 WeakPolarHBondContact OE1-CB 3.31Å; E103-N107 PolarHBondContact OE1-ND2 2.88Å; E103-N107 PolarHBondContact OE2-ND2 3.27Å; E103-I108 HydrophobicContact CG-CD1 3.96Å; E103-I108 HydrophobicContact CG-CG1 4.26Å; E103-I108 PolarHBondContact O-N 3.46Å; E103-F141 HydrophobicContact CG-CE1 3.94Å; E103-F141 HydrophobicContact CG-CZ 4.11Å
104	L	96.3	Very high	95.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-59.1	-46.1	175.4	-179.1	59.2	0	0	0	112.1	H100 M101 R102 I108 R109 H112 I113 P148 L211	H100-L104 PolarHBondContact O-N 3.42Å; M101-L104 HydrophobicContact CE-CD2 3.89Å; M101-L104 HydrophobicContact CE-CG 4.44Å; M101-L104 PolarHBondContact O-N 3.41Å; M101-L104 HydrophobicContact SD-CD2 3.89Å; R102-L104 VanDerWaalsContact C-N 3.34Å; L104-I108 HydrophobicContact CD1-CB 4.46Å; L104-R109 WeakPolarHBondContact O-CA 3.35Å; L104-R109 PolarHBondContact O-N 2.93Å; L104-H112 HydrophobicContact CD1-CB 3.31Å; L104-I113 HydrophobicContact CD1-CG1 3.95Å; L104-I113 HydrophobicContact CD2-CG1 4.32Å; L104-I113 HydrophobicContact CG-CG1 4.11Å; L104-P148 HydrophobicContact CD2-CG 4.08Å; L104-L211 HydrophobicContact CD2-CD2 3.72Å
105	V	93.3	Very high	95.9	Very high	24 Å²	24	50 Å²	50	15%	0.145	24%	0.236	C	C	.	.	I	π-helix	trans	-77.9	-40.3	-176.3	173.2	0	0	0	0	112.5	M101 R102 E103 R109 L205 L208	M101-V105 HydrophobicContact CE-CG2 3.6Å; M101-V105 HydrophobicContact CG-CG2 4.33Å; M101-V105 WeakPolarHBondContact O-CB 3.46Å; M101-V105 VanDerWaalsContact O-CG2 3.29Å; M101-V105 WeakPolarHBondContact O-CG2 3.46Å; M101-V105 PolarHBondContact O-N 2.98Å; R102-V105 PolarHBondContact O-N 2.96Å; E103-V105 PolarHBondContact O-N 2.77Å; V105-R109 WeakPolarHBondContact O-CG 3.35Å; V105-L205 HydrophobicContact CG1-CD1 4.09Å; V105-L205 HydrophobicContact CG1-CD2 4.39Å; V105-L208 HydrophobicContact CG1-CD2 4.41Å; V105-L208 HydrophobicContact CG2-CD1 3.86Å; V105-L208 HydrophobicContact CG2-CD2 4.12Å
106	L	92	Very high	96	Very high	83 Å²	83	42.8 Å²	42.8	44%	0.435	21%	0.205	S	C	.	.	I	π-helix	trans	-86	-36.6	-171.5	-62.4	-177.4	0	0	0	112.9	R102 R109	R102-L106 HydrophobicContact CG-CD1 3.56Å; R102-L106 HydrophobicContact CG-CG 4.13Å; R102-L106 VanDerWaalsContact O-CB 3.28Å; R102-L106 WeakPolarHBondContact O-CB 3.3Å; R102-L106 WeakPolarHBondContact O-CG 3.36Å; R102-L106 PolarHBondContact O-N 3.37Å; L106-R109 PolarHBondContact O-NE 3.08Å; L106-R109 PolarHBondContact O-NH2 3.41Å
107	N	94.6	Very high	96.1	Very high	93 Å²	93	39.6 Å²	39.6	50%	0.497	19%	0.192	S	C	.	.	I	π-helix	trans	-115.8	-50.4	-167.5	-59.5	-31.2	0	0	0	112.2	E103	E103-N107 WeakPolarHBondContact O-CB 3.34Å; E103-N107 PolarHBondContact O-N 2.94Å; E103-N107 VanDerWaalsContact OE1-CB 3.22Å; E103-N107 WeakPolarHBondContact OE1-CB 3.31Å; E103-N107 PolarHBondContact OE1-ND2 2.88Å; E103-N107 PolarHBondContact OE2-ND2 3.27Å
108	I	95.4	Very high	96.2	Very high	36 Å²	36	38.7 Å²	38.7	19%	0.185	19%	0.185	C	C	.	.	I	π-helix	trans	-86.8	-45.9	-169.7	-48	171.6	0	0	0	113.2	Y99 E103 L104 P111 H112 F141	Y99-I108 HydrophobicContact CD2-CD1 4.3Å; Y99-I108 HydrophobicContact CE2-CD1 3.64Å; E103-I108 HydrophobicContact CG-CD1 3.96Å; E103-I108 HydrophobicContact CG-CG1 4.26Å; E103-I108 PolarHBondContact O-N 3.46Å; L104-I108 HydrophobicContact CD1-CB 4.46Å; I108-P111 WeakPolarHBondContact O-CD 2.99Å; I108-H112 HydrophobicContact CB-CB 4.46Å; I108-H112 WeakPolarHBondContact CD1-ND1 3.44Å; I108-H112 HydrophobicContact CG2-CB 3.71Å; I108-H112 WeakPolarHBondContact CG2-ND1 3.27Å; I108-F141 HydrophobicContact CD1-CZ 4.05Å
109	R	95.5	Very high	96.2	Very high	108 Å²	108	38.7 Å²	38.7	41%	0.408	19%	0.185	S	C	.	.			trans	64	-145.8	171.6	-61.1	167.9	177.5	159.3	12	113.4	L104 V105 L106 P111 H112 I113 V203 G204 L205	L104-R109 WeakPolarHBondContact O-CA 3.35Å; L104-R109 PolarHBondContact O-N 2.93Å; V105-R109 WeakPolarHBondContact O-CG 3.35Å; L106-R109 PolarHBondContact O-NE 3.08Å; L106-R109 PolarHBondContact O-NH2 3.41Å; R109-P111 VanDerWaalsContact C-N 3.35Å; R109-P111 VanDerWaalsContact O-N 3.14Å; R109-H112 PolarHBondContact O-N 3.02Å; R109-I113 WeakPolarHBondContact O-CG1 3.49Å; R109-I113 PolarHBondContact O-N 3.28Å; R109-V203 VanDerWaalsContact CD-O 3.29Å; R109-V203 WeakPolarHBondContact CD-O 3.39Å; R109-G204 WeakPolarHBondContact CB-O 3.29Å; R109-L205 HydrophobicContact CB-CD2 4.17Å; R109-L205 HydrophobicContact CG-CD2 4Å
110	E	96.4	Very high	96.1	Very high	15 Å²	15	39.2 Å²	39.2	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-46.1	-43.7	-168.4	-169.9	73	174.1	0	0	115.7	H112 I113 K114 G204 Q206 S207	E110-H112 VanDerWaalsContact C-N 3.35Å; E110-H112 PolarHBondContact O-N 3.18Å; E110-I113 PolarHBondContact O-N 3.43Å; E110-I113 VanDerWaalsContact O-N 3.08Å; E110-K114 HydrophobicContact CG-CD 4.24Å; E110-K114 HydrophobicContact CG-CG 4.19Å; E110-K114 PolarHBondContact O-N 3.26Å; E110-K114 VanDerWaalsContact OE1-CE 3.27Å; E110-K114 WeakPolarHBondContact OE1-CE 3.36Å; E110-G204 WeakPolarHBondContact CA-O 3.15Å; E110-G204 VanDerWaalsContact CB-O 3.24Å; E110-G204 WeakPolarHBondContact CB-O 3.48Å; E110-G204 PolarHBondContact N-O 3.21Å; E110-Q206 WeakPolarHBondContact OE1-CG 3.46Å; E110-Q206 PolarHBondContact OE1-NE2 3.03Å; E110-S207 VanDerWaalsContact OE1-CB 3.31Å; E110-S207 WeakPolarHBondContact OE1-CB 3.3Å; E110-S207 PolarHBondContact OE1-OG 3.03Å; E110-S207 WeakPolarHBondContact OE2-CB 3.28Å; E110-S207 PolarHBondContact OE2-N 2.97Å; E110-S207 VanDerWaalsContact OE2-N 3.15Å
111	P	95	Very high	96	Very high	85 Å²	85	41.1 Å²	41.1	55%	0.552	20%	0.196	S	C	*	.	H	α-helix	trans	-51.2	-51.7	-179	-29	36.3	0	0	0	112.8	I108 R109 L115	I108-P111 WeakPolarHBondContact O-CD 2.99Å; R109-P111 VanDerWaalsContact C-N 3.35Å; R109-P111 VanDerWaalsContact O-N 3.14Å; P111-L115 WeakPolarHBondContact O-CG 3.4Å; P111-L115 PolarHBondContact O-N 3.14Å
112	H	96.8	Very high	96.1	Very high	23 Å²	23	41.5 Å²	41.5	11%	0.106	20%	0.198	C	C	.	.	H	α-helix	trans	-76.4	-28.6	178.2	-78.7	-160.3	0	0	0	112.3	Y99 L104 I108 R109 E110 K114 L115 W116	Y99-H112 AromaticContact CE2-CE1 3.96Å; Y99-H112 AromaticContact CE2-ND1 3.47Å; Y99-H112 WeakPolarHBondContact CE2-ND1 3.46Å; Y99-H112 AromaticContact CZ-ND1 3.66Å; Y99-H112 PolarHBondContact OH-ND1 3.47Å; L104-H112 HydrophobicContact CD1-CB 3.31Å; I108-H112 HydrophobicContact CB-CB 4.46Å; I108-H112 WeakPolarHBondContact CD1-ND1 3.44Å; I108-H112 HydrophobicContact CG2-CB 3.71Å; I108-H112 WeakPolarHBondContact CG2-ND1 3.27Å; R109-H112 PolarHBondContact O-N 3.02Å; E110-H112 VanDerWaalsContact C-N 3.35Å; E110-H112 PolarHBondContact O-N 3.18Å; H112-K114 VanDerWaalsContact C-N 3.29Å; H112-K114 PolarHBondContact O-N 3.23Å; H112-L115 PolarHBondContact O-N 2.71Å; H112-W116 WeakPolarHBondContact O-CB 3.21Å; H112-W116 PolarHBondContact O-N 3.38Å
113	I	97.9	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-43.3	175.1	-66	171.4	0	0	0	110.5	L104 R109 E110 W116 L117 L205 L208 L211	L104-I113 HydrophobicContact CD1-CG1 3.95Å; L104-I113 HydrophobicContact CD2-CG1 4.32Å; L104-I113 HydrophobicContact CG-CG1 4.11Å; R109-I113 WeakPolarHBondContact O-CG1 3.49Å; R109-I113 PolarHBondContact O-N 3.28Å; E110-I113 PolarHBondContact O-N 3.43Å; E110-I113 VanDerWaalsContact O-N 3.08Å; I113-W116 PolarHBondContact O-N 3.32Å; I113-L117 HydrophobicContact CG2-CD1 4.3Å; I113-L117 WeakPolarHBondContact O-CG 3.14Å; I113-L117 PolarHBondContact O-N 3.09Å; I113-L205 HydrophobicContact CD1-CD2 3.8Å; I113-L208 HydrophobicContact CD1-CB 4.11Å; I113-L208 HydrophobicContact CD1-CD1 4.07Å; I113-L211 HydrophobicContact CB-CD2 4.23Å; I113-L211 HydrophobicContact CG1-CD2 4.08Å; I113-L211 HydrophobicContact CG2-CB 3.92Å; I113-L211 HydrophobicContact CG2-CD2 3.93Å
114	K	97.7	Very high	96	Very high	101 Å²	101	47.8 Å²	47.8	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-66.1	-41.7	176.7	-72.8	-176.4	174.5	-172.8	0	112.4	E110 H112 L117 W118	E110-K114 HydrophobicContact CG-CD 4.24Å; E110-K114 HydrophobicContact CG-CG 4.19Å; E110-K114 PolarHBondContact O-N 3.26Å; E110-K114 VanDerWaalsContact OE1-CE 3.27Å; E110-K114 WeakPolarHBondContact OE1-CE 3.36Å; H112-K114 VanDerWaalsContact C-N 3.29Å; H112-K114 PolarHBondContact O-N 3.23Å; K114-L117 PolarHBondContact O-N 3.06Å; K114-W118 PolarHBondContact O-N 3.02Å
115	L	97.5	Very high	96	Very high	26 Å²	26	52.1 Å²	52.1	14%	0.136	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-43.5	176.4	-68.9	177.9	0	0	0	111.6	P47 P111 H112 W118 A119 F133 I137	P47-L115 HydrophobicContact CG-CD2 4.47Å; P111-L115 WeakPolarHBondContact O-CG 3.4Å; P111-L115 PolarHBondContact O-N 3.14Å; H112-L115 PolarHBondContact O-N 2.71Å; L115-W118 WeakPolarHBondContact O-CB 3.48Å; L115-W118 PolarHBondContact O-N 3.19Å; L115-A119 PolarHBondContact O-N 3.05Å; L115-F133 HydrophobicContact CB-CE2 3.79Å; L115-F133 HydrophobicContact CB-CZ 4.1Å; L115-F133 HydrophobicContact CD2-CE2 4.09Å; L115-F133 HydrophobicContact CG-CE2 4.41Å; L115-F133 WeakPolarHBondContact O-CZ 3.45Å; L115-I137 HydrophobicContact CB-CD1 4.01Å; L115-I137 HydrophobicContact CD1-CG1 4.2Å
116	W	98.3	Very high	96	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-38.4	176.4	-79.2	120.1	0	0	0	113.4	Y99 H112 I113 W118 A119 I120 W134 I137 Y138 P148 F152 L211	Y99-W116 HydrophobicContact CE1-CZ2 4.3Å; Y99-W116 AromaticContact CE1-NE1 3.75Å; Y99-W116 AromaticContact CZ-NE1 3.62Å; Y99-W116 PolarHBondContact OH-NE1 2.97Å; H112-W116 WeakPolarHBondContact O-CB 3.21Å; H112-W116 PolarHBondContact O-N 3.38Å; I113-W116 PolarHBondContact O-N 3.32Å; W116-W118 VanDerWaalsContact C-N 3.28Å; W116-W118 PolarHBondContact O-N 3.14Å; W116-A119 HydrophobicContact CE3-CB 4.31Å; W116-A119 PolarHBondContact O-N 3.49Å; W116-I120 VanDerWaalsContact O-CG1 3.28Å; W116-I120 WeakPolarHBondContact O-CG1 3.27Å; W116-I120 PolarHBondContact O-N 3.34Å; W116-W134 AromaticContact CH2-CZ3 3.71Å; W116-W134 HydrophobicContact CH2-CZ3 3.71Å; W116-W134 HydrophobicContact CZ3-CH2 4.1Å; W116-W134 AromaticContact CZ3-CZ3 3.65Å; W116-W134 HydrophobicContact CZ3-CZ3 3.65Å; W116-I137 HydrophobicContact CD2-CD1 4.02Å; W116-I137 HydrophobicContact CG-CD1 4.35Å; W116-I137 HydrophobicContact CZ2-CD1 4.15Å; W116-I137 HydrophobicContact CZ2-CG2 3.81Å; W116-Y138 VanDerWaalsContact CH2-OH 3.25Å; W116-Y138 WeakPolarHBondContact CH2-OH 3.28Å; W116-Y138 HydrophobicContact CZ2-CE1 4.4Å; W116-P148 HydrophobicContact CB-CG 4.1Å; W116-P148 HydrophobicContact CD2-CB 3.54Å; W116-P148 HydrophobicContact CD2-CG 3.53Å; W116-P148 HydrophobicContact CE3-CB 3.57Å; W116-P148 HydrophobicContact CE3-CG 4.12Å; W116-P148 HydrophobicContact CG-CB 4Å; W116-P148 HydrophobicContact CG-CG 3.53Å; W116-P148 HydrophobicContact CH2-CB 4.18Å; W116-P148 HydrophobicContact CZ2-CB 4.17Å; W116-P148 HydrophobicContact CZ2-CG 4.3Å; W116-P148 HydrophobicContact CZ3-CB 3.9Å; W116-F152 HydrophobicContact CE3-CD2 4.42Å; W116-F152 HydrophobicContact CE3-CE2 4.12Å; W116-F152 AromaticContact CZ3-CD2 3.66Å; W116-F152 HydrophobicContact CZ3-CD2 3.66Å; W116-F152 AromaticContact CZ3-CE2 3.79Å; W116-F152 HydrophobicContact CZ3-CE2 3.79Å; W116-F152 HydrophobicContact CZ3-CG 4.34Å; W116-L211 HydrophobicContact CB-CD1 3.73Å; W116-L211 HydrophobicContact CB-CD2 4.28Å
117	L	98.1	Very high	96.1	Very high	26 Å²	26	61.7 Å²	61.7	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-40.1	172	-78.6	171.7	0	0	0	111.9	I113 K114 E121 K210 L211 R214	I113-L117 HydrophobicContact CG2-CD1 4.3Å; I113-L117 WeakPolarHBondContact O-CG 3.14Å; I113-L117 PolarHBondContact O-N 3.09Å; K114-L117 PolarHBondContact O-N 3.06Å; L117-E121 PolarHBondContact O-N 2.92Å; L117-K210 HydrophobicContact CD1-CB 4.5Å; L117-K210 HydrophobicContact CD1-CD 4.17Å; L117-K210 HydrophobicContact CD1-CG 4.42Å; L117-K210 HydrophobicContact CD2-CB 4.41Å; L117-K210 HydrophobicContact CD2-CD 4.24Å; L117-K210 HydrophobicContact CD2-CG 3.9Å; L117-L211 HydrophobicContact CD2-CB 4.17Å; L117-L211 HydrophobicContact CD2-CD1 4.27Å; L117-L211 HydrophobicContact CG-CB 4.24Å; L117-L211 HydrophobicContact CG-CD1 4.26Å; L117-R214 HydrophobicContact CD2-CB 4.36Å; L117-R214 HydrophobicContact CD2-CG 4.05Å
118	W	97.9	Very high	95.9	Very high	79 Å²	79	65.5 Å²	65.5	30%	0.299	30%	0.297	S	S	.	.	H	α-helix	trans	-65.3	-45.9	175.5	176.7	86	0	0	0	111.7	K114 L115 W116 I120 E121 Q122 I129 F133	K114-W118 PolarHBondContact O-N 3.02Å; L115-W118 WeakPolarHBondContact O-CB 3.48Å; L115-W118 PolarHBondContact O-N 3.19Å; W116-W118 VanDerWaalsContact C-N 3.28Å; W116-W118 PolarHBondContact O-N 3.14Å; W118-I120 PolarHBondContact O-N 2.74Å; W118-E121 PolarHBondContact O-N 3.15Å; W118-E121 VanDerWaalsContact O-N 3.17Å; W118-Q122 HydrophobicContact CD2-CG 3.88Å; W118-Q122 HydrophobicContact CE3-CG 4.09Å; W118-Q122 HydrophobicContact CH2-CG 3.7Å; W118-Q122 HydrophobicContact CZ2-CG 3.46Å; W118-Q122 VanDerWaalsContact CZ2-CG 3.46Å; W118-Q122 HydrophobicContact CZ3-CG 4.01Å; W118-Q122 WeakPolarHBondContact O-CG 3.27Å; W118-Q122 PolarHBondContact O-N 3.31Å; W118-I129 HydrophobicContact CZ3-CG2 4.03Å; W118-F133 AromaticContact CE3-CD2 3.93Å; W118-F133 HydrophobicContact CE3-CD2 3.93Å; W118-F133 AromaticContact CE3-CE2 3.67Å; W118-F133 HydrophobicContact CE3-CE2 3.67Å; W118-F133 HydrophobicContact CE3-CZ 4.3Å; W118-F133 AromaticContact CZ3-CD2 3.67Å; W118-F133 HydrophobicContact CZ3-CD2 3.67Å; W118-F133 AromaticContact CZ3-CE2 3.88Å; W118-F133 HydrophobicContact CZ3-CE2 3.88Å; W118-F133 HydrophobicContact CZ3-CG 4.12Å
119	A	96.8	Very high	95.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-43.3	177.9	0	0	0	0	0	112.7	L115 W116 E121 Q122 D123 I129 F133 F152	L115-A119 PolarHBondContact O-N 3.05Å; W116-A119 HydrophobicContact CE3-CB 4.31Å; W116-A119 PolarHBondContact O-N 3.49Å; A119-E121 VanDerWaalsContact C-N 3.29Å; A119-E121 PolarHBondContact O-N 3.46Å; A119-Q122 PolarHBondContact O-N 2.96Å; A119-D123 WeakPolarHBondContact O-CB 3.48Å; A119-D123 PolarHBondContact O-N 2.84Å; A119-I129 HydrophobicContact CB-CD1 4.04Å; A119-F133 HydrophobicContact CB-CE1 3.8Å; A119-F133 HydrophobicContact CB-CE2 4.49Å; A119-F133 HydrophobicContact CB-CZ 3.6Å; A119-F152 HydrophobicContact CB-CE1 4.48Å; A119-F152 HydrophobicContact CB-CZ 4.13Å
120	I	97.6	Very high	95.4	Very high	10 Å²	10	61.5 Å²	61.5	5%	0.051	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-36.4	176.5	-65.7	163.3	0	0	0	111.3	W116 W118 R124 F152 L211 R214 M215	W116-I120 VanDerWaalsContact O-CG1 3.28Å; W116-I120 WeakPolarHBondContact O-CG1 3.27Å; W116-I120 PolarHBondContact O-N 3.34Å; W118-I120 PolarHBondContact O-N 2.74Å; I120-R124 WeakPolarHBondContact O-CB 3.49Å; I120-R124 PolarHBondContact O-N 3.35Å; I120-F152 HydrophobicContact CG1-CE2 3.89Å; I120-F152 HydrophobicContact CG1-CZ 3.93Å; I120-L211 HydrophobicContact CD1-CD1 3.69Å; I120-R214 HydrophobicContact CD1-CB 4.21Å; I120-R214 HydrophobicContact CG2-CB 4.07Å; I120-M215 HydrophobicContact CD1-CG 3.64Å
121	E	95.7	Very high	94.9	Very high	45 Å²	45	67.5 Å²	67.5	21%	0.21	31%	0.309	C	S	.	.	H	α-helix	trans	-70.6	-38.4	175.2	-161.1	66.6	-133.5	0	0	111.8	L117 W118 A119 R124 E125 R214	L117-E121 PolarHBondContact O-N 2.92Å; W118-E121 PolarHBondContact O-N 3.15Å; W118-E121 VanDerWaalsContact O-N 3.17Å; A119-E121 VanDerWaalsContact C-N 3.29Å; A119-E121 PolarHBondContact O-N 3.46Å; E121-R124 PolarHBondContact O-N 3.24Å; E121-R124 IonicContact OE1-NH1 2.71Å; E121-R124 PolarHBondContact OE1-NH1 2.85Å; E121-E125 WeakPolarHBondContact O-CB 3.48Å; E121-E125 WeakPolarHBondContact O-CG 3.08Å; E121-E125 PolarHBondContact O-N 3.29Å; E121-R214 IonicContact OE2-CZ 3.34Å; E121-R214 IonicContact OE2-NH1 2.86Å; E121-R214 PolarHBondContact OE2-NH1 2.76Å
122	Q	95.9	Very high	94.6	Very high	27 Å²	27	69.9 Å²	69.9	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-45.7	174.4	-63.6	-38.2	-78.2	0	0	111.5	W118 A119 R124 E125 K126 K127 I129	W118-Q122 HydrophobicContact CD2-CG 3.88Å; W118-Q122 HydrophobicContact CE3-CG 4.09Å; W118-Q122 HydrophobicContact CH2-CG 3.7Å; W118-Q122 HydrophobicContact CZ2-CG 3.46Å; W118-Q122 VanDerWaalsContact CZ2-CG 3.46Å; W118-Q122 HydrophobicContact CZ3-CG 4.01Å; W118-Q122 WeakPolarHBondContact O-CG 3.27Å; W118-Q122 PolarHBondContact O-N 3.31Å; A119-Q122 PolarHBondContact O-N 2.96Å; Q122-R124 PolarHBondContact O-N 3.44Å; Q122-E125 CarbonylContact O-C 3.59Å; Q122-E125 PolarHBondContact O-N 2.88Å; Q122-K126 PolarHBondContact O-N 3.17Å; Q122-K127 HydrophobicContact CB-CB 4.21Å; Q122-K127 PolarHBondContact O-N 3.1Å; Q122-K127 VanDerWaalsContact OE1-CD 3.26Å; Q122-I129 HydrophobicContact CB-CD1 4.25Å; Q122-I129 HydrophobicContact CB-CG1 3.73Å; Q122-I129 HydrophobicContact CG-CG1 4.34Å
123	D	94.6	Very high	94.4	Very high	71 Å²	71	69.2 Å²	69.2	38%	0.38	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-45.7	177.1	-175.7	60.2	0	0	0	111.9	A119 E125 K126 F152 Q218	A119-D123 WeakPolarHBondContact O-CB 3.48Å; A119-D123 PolarHBondContact O-N 2.84Å; D123-E125 VanDerWaalsContact C-N 3.3Å; D123-E125 PolarHBondContact O-N 3.47Å; D123-K126 WeakPolarHBondContact O-CA 3.35Å; D123-K126 PolarHBondContact O-N 3.34Å; D123-F152 HydrophobicContact CB-CE1 3.83Å; D123-F152 HydrophobicContact CB-CZ 4.18Å; D123-Q218 PolarHBondContact OD2-NE2 3.1Å
124	R	93.9	Very high	94.1	Very high	152 Å²	152	69.2 Å²	69.2	57%	0.574	31%	0.31	S	S	*	.	H	α-helix	trans	-60.2	-38.7	175.7	-177.7	178.9	176.8	-118.5	-1.3	112.7	I120 E121 Q122 K126	I120-R124 WeakPolarHBondContact O-CB 3.49Å; I120-R124 PolarHBondContact O-N 3.35Å; E121-R124 PolarHBondContact O-N 3.24Å; E121-R124 IonicContact OE1-NH1 2.71Å; E121-R124 PolarHBondContact OE1-NH1 2.85Å; Q122-R124 PolarHBondContact O-N 3.44Å; R124-K126 PolarHBondContact O-N 2.91Å
125	E	95.6	Very high	93.8	Very high	90 Å²	90	66.2 Å²	66.2	42%	0.421	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	3	176.1	-66.8	-179.2	163.4	0	0	113	E121 Q122 D123 K127	E121-E125 WeakPolarHBondContact O-CB 3.48Å; E121-E125 WeakPolarHBondContact O-CG 3.08Å; E121-E125 PolarHBondContact O-N 3.29Å; Q122-E125 CarbonylContact O-C 3.59Å; Q122-E125 PolarHBondContact O-N 2.88Å; D123-E125 VanDerWaalsContact C-N 3.3Å; D123-E125 PolarHBondContact O-N 3.47Å; E125-K127 HydrophobicContact CB-CD 4.03Å; E125-K127 HydrophobicContact CB-CG 4.04Å; E125-K127 PolarHBondContact O-N 3.2Å; E125-K127 WeakPolarHBondContact OE2-CD 3.38Å; E125-K127 WeakPolarHBondContact OE2-CE 3.5Å; E125-K127 IonicContact OE2-NZ 2.87Å; E125-K127 PolarHBondContact OE2-NZ 2.85Å
126	K	93.2	Very high	93.4	Very high	198 Å²	198	68.6 Å²	68.6	86%	0.861	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	33.3	-175.6	-56.8	-177.9	179.3	-179.9	0	113.3	Q122 D123 R124	Q122-K126 PolarHBondContact O-N 3.17Å; D123-K126 WeakPolarHBondContact O-CA 3.35Å; D123-K126 PolarHBondContact O-N 3.34Å; R124-K126 PolarHBondContact O-N 2.91Å
127	K	93.5	Very high	93.1	Very high	110 Å²	110	68.6 Å²	68.6	48%	0.478	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-90.3	146	176.2	-69.1	177.1	179.5	168.8	0	110.3	Q122 E125 I129	Q122-K127 HydrophobicContact CB-CB 4.21Å; Q122-K127 PolarHBondContact O-N 3.1Å; Q122-K127 VanDerWaalsContact OE1-CD 3.26Å; E125-K127 HydrophobicContact CB-CD 4.03Å; E125-K127 HydrophobicContact CB-CG 4.04Å; E125-K127 PolarHBondContact O-N 3.2Å; E125-K127 WeakPolarHBondContact OE2-CD 3.38Å; E125-K127 WeakPolarHBondContact OE2-CE 3.5Å; E125-K127 IonicContact OE2-NZ 2.87Å; E125-K127 PolarHBondContact OE2-NZ 2.85Å; K127-I129 PolarHBondContact O-N 2.98Å
128	E	91	Very high	93	Very high	173 Å²	173	67.6 Å²	67.6	81%	0.808	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-66.5	133.3	176	-173.5	174.3	-172.3	0	0	110.9
129	I	91.5	Very high	92.6	Very high	7 Å²	7	70 Å²	70	4%	0.036	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-96.9	118.3	171.9	-62.3	165.1	0	0	0	107.4	W118 A119 Q122 K127 F133 W134 F152	W118-I129 HydrophobicContact CZ3-CG2 4.03Å; A119-I129 HydrophobicContact CB-CD1 4.04Å; Q122-I129 HydrophobicContact CB-CD1 4.25Å; Q122-I129 HydrophobicContact CB-CG1 3.73Å; Q122-I129 HydrophobicContact CG-CG1 4.34Å; K127-I129 PolarHBondContact O-N 2.98Å; I129-F133 HydrophobicContact CG2-CB 3.97Å; I129-F133 HydrophobicContact CG2-CD1 3.48Å; I129-F133 VanDerWaalsContact CG2-CD1 3.48Å; I129-F133 HydrophobicContact CG2-CE1 4.14Å; I129-F133 HydrophobicContact CG2-CG 3.82Å; I129-W134 HydrophobicContact CB-CZ2 3.92Å; I129-W134 HydrophobicContact CD1-CH2 4.16Å; I129-W134 HydrophobicContact CD1-CZ2 3.66Å; I129-W134 HydrophobicContact CG1-CZ2 4.4Å; I129-W134 HydrophobicContact CG2-CD2 4.43Å; I129-W134 HydrophobicContact CG2-CH2 4.41Å; I129-W134 HydrophobicContact CG2-CZ2 3.57Å; I129-F152 HydrophobicContact CD1-CD1 4.37Å; I129-F152 HydrophobicContact CD1-CE1 3.72Å
130	P	88.5	Confident	92.3	Very high	53 Å²	53	71.7 Å²	71.7	34%	0.344	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-58.7	146.9	-175	-24.3	33.2	0	0	0	113	E132 F133	P130-E132 WeakPolarHBondContact CB-OE2 3.43Å; P130-E132 PolarHBondContact O-N 3.25Å; P130-F133 VanDerWaalsContact O-CB 3.26Å; P130-F133 WeakPolarHBondContact O-CB 3.4Å; P130-F133 PolarHBondContact O-N 2.87Å
131	R	86.8	Confident	92.3	Very high	141 Å²	141	72 Å²	72	53%	0.532	34%	0.343	S	S	.	.	H	α-helix	trans	-59.2	-33.2	179.1	-172.1	171.5	-177.6	-117.2	1.8	112.4	F133 W134 S135 I159	R131-F133 VanDerWaalsContact C-N 3.25Å; R131-F133 PolarHBondContact O-N 2.83Å; R131-W134 PolarHBondContact O-N 3.33Å; R131-S135 PolarHBondContact O-N 3Å; R131-S135 VanDerWaalsContact O-N 3.1Å; R131-S135 PolarHBondContact O-OG 2.79Å; R131-I159 HydrophobicContact CG-CG2 4.18Å
132	E	87.3	Confident	92.3	Very high	135 Å²	135	70.4 Å²	70.4	63%	0.631	34%	0.336	S	S	*	.	H	α-helix	trans	-62.4	-32.3	178.4	-59.4	74.3	-162.5	0	0	112.1	P130 S135 H136	P130-E132 WeakPolarHBondContact CB-OE2 3.43Å; P130-E132 PolarHBondContact O-N 3.25Å; E132-S135 PolarHBondContact O-N 2.8Å; E132-H136 WeakPolarHBondContact O-CB 3.32Å; E132-H136 PolarHBondContact O-N 2.8Å
133	F	92.4	Very high	92.4	Very high	9 Å²	9	69.1 Å²	69.1	4%	0.039	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-45.7	175.5	172.9	-90.2	0	0	0	111.1	L115 W118 A119 I129 P130 R131 H136 I137	L115-F133 HydrophobicContact CB-CE2 3.79Å; L115-F133 HydrophobicContact CB-CZ 4.1Å; L115-F133 HydrophobicContact CD2-CE2 4.09Å; L115-F133 HydrophobicContact CG-CE2 4.41Å; L115-F133 WeakPolarHBondContact O-CZ 3.45Å; W118-F133 AromaticContact CE3-CD2 3.93Å; W118-F133 HydrophobicContact CE3-CD2 3.93Å; W118-F133 AromaticContact CE3-CE2 3.67Å; W118-F133 HydrophobicContact CE3-CE2 3.67Å; W118-F133 HydrophobicContact CE3-CZ 4.3Å; W118-F133 AromaticContact CZ3-CD2 3.67Å; W118-F133 HydrophobicContact CZ3-CD2 3.67Å; W118-F133 AromaticContact CZ3-CE2 3.88Å; W118-F133 HydrophobicContact CZ3-CE2 3.88Å; W118-F133 HydrophobicContact CZ3-CG 4.12Å; A119-F133 HydrophobicContact CB-CE1 3.8Å; A119-F133 HydrophobicContact CB-CE2 4.49Å; A119-F133 HydrophobicContact CB-CZ 3.6Å; I129-F133 HydrophobicContact CG2-CB 3.97Å; I129-F133 HydrophobicContact CG2-CD1 3.48Å; I129-F133 VanDerWaalsContact CG2-CD1 3.48Å; I129-F133 HydrophobicContact CG2-CE1 4.14Å; I129-F133 HydrophobicContact CG2-CG 3.82Å; P130-F133 VanDerWaalsContact O-CB 3.26Å; P130-F133 WeakPolarHBondContact O-CB 3.4Å; P130-F133 PolarHBondContact O-N 2.87Å; R131-F133 VanDerWaalsContact C-N 3.25Å; R131-F133 PolarHBondContact O-N 2.83Å; F133-H136 WeakPolarHBondContact O-CB 3.3Å; F133-H136 PolarHBondContact O-N 3.16Å; F133-I137 HydrophobicContact CD1-CD1 4.44Å; F133-I137 HydrophobicContact CE1-CD1 3.53Å; F133-I137 HydrophobicContact CE1-CG1 4.1Å; F133-I137 HydrophobicContact CE2-CD1 4.02Å; F133-I137 HydrophobicContact CE2-CG1 4.41Å; F133-I137 HydrophobicContact CZ-CD1 3.26Å; F133-I137 HydrophobicContact CZ-CG1 4.01Å; F133-I137 PolarHBondContact O-N 2.75Å
134	W	93.4	Very high	92.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-68.5	-42.5	179.6	-56.8	113.4	0	0	0	111.8	W116 I129 R131 H136 I137 Y138 F152 H155 L156 I159 Y160	W116-W134 AromaticContact CH2-CZ3 3.71Å; W116-W134 HydrophobicContact CH2-CZ3 3.71Å; W116-W134 HydrophobicContact CZ3-CH2 4.1Å; W116-W134 AromaticContact CZ3-CZ3 3.65Å; W116-W134 HydrophobicContact CZ3-CZ3 3.65Å; I129-W134 HydrophobicContact CB-CZ2 3.92Å; I129-W134 HydrophobicContact CD1-CH2 4.16Å; I129-W134 HydrophobicContact CD1-CZ2 3.66Å; I129-W134 HydrophobicContact CG1-CZ2 4.4Å; I129-W134 HydrophobicContact CG2-CD2 4.43Å; I129-W134 HydrophobicContact CG2-CH2 4.41Å; I129-W134 HydrophobicContact CG2-CZ2 3.57Å; R131-W134 PolarHBondContact O-N 3.33Å; W134-H136 PolarHBondContact O-N 3.46Å; W134-I137 PolarHBondContact O-N 2.92Å; W134-Y138 HydrophobicContact CB-CD2 4.46Å; W134-Y138 AromaticContact CE3-CE2 3.86Å; W134-Y138 HydrophobicContact CE3-CE2 3.86Å; W134-Y138 HydrophobicContact CZ3-CE2 4.49Å; W134-Y138 WeakPolarHBondContact O-CB 3.44Å; W134-Y138 WeakPolarHBondContact O-CD2 3.48Å; W134-Y138 PolarHBondContact O-N 2.88Å; W134-F152 HydrophobicContact CH2-CB 4.19Å; W134-F152 AromaticContact CH2-CD1 3.52Å; W134-F152 HydrophobicContact CH2-CD1 3.52Å; W134-F152 HydrophobicContact CH2-CD2 4.49Å; W134-F152 AromaticContact CH2-CE1 3.94Å; W134-F152 HydrophobicContact CH2-CE1 3.94Å; W134-F152 AromaticContact CH2-CG 3.82Å; W134-F152 HydrophobicContact CH2-CG 3.82Å; W134-F152 AromaticContact CZ2-CD1 3.99Å; W134-F152 HydrophobicContact CZ2-CD1 3.99Å; W134-F152 HydrophobicContact CZ2-CE1 4.42Å; W134-H155 AromaticContact CE2-CD2 3.63Å; W134-H155 AromaticContact CE2-NE2 3.74Å; W134-H155 AromaticContact CZ2-CD2 3.47Å; W134-H155 VanDerWaalsContact CZ2-CD2 3.47Å; W134-H155 WeakPolarHBondContact CZ2-CD2 3.48Å; W134-H155 AromaticContact CZ2-NE2 3.83Å; W134-H155 AromaticContact NE1-CD2 3.51Å; W134-H155 AromaticContact NE1-NE2 3.18Å; W134-H155 PolarHBondContact NE1-NE2 3.38Å; W134-H155 VanDerWaalsContact NE1-NE2 3.18Å; W134-L156 HydrophobicContact CB-CD2 4.46Å; W134-L156 HydrophobicContact CD2-CD2 3.59Å; W134-L156 HydrophobicContact CE3-CD2 3.6Å; W134-L156 HydrophobicContact CG-CD2 4.01Å; W134-L156 HydrophobicContact CH2-CD2 4.47Å; W134-L156 HydrophobicContact CZ2-CD2 4.48Å; W134-L156 HydrophobicContact CZ3-CD2 4.05Å; W134-I159 HydrophobicContact CG-CD1 4.01Å; W134-Y160 HydrophobicContact CB-CE2 4.4Å
135	S	89.8	Confident	92.9	Very high	39 Å²	39	58.5 Å²	58.5	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-56.8	-38.2	171.9	-61.6	0	0	0	0	112	R131 E132 N139	R131-S135 PolarHBondContact O-N 3Å; R131-S135 VanDerWaalsContact O-N 3.1Å; R131-S135 PolarHBondContact O-OG 2.79Å; E132-S135 PolarHBondContact O-N 2.8Å; S135-N139 WeakPolarHBondContact O-CA 3.44Å; S135-N139 WeakPolarHBondContact O-CB 3.25Å; S135-N139 PolarHBondContact O-N 3.01Å
136	H	89.4	Confident	93	Very high	75 Å²	75	54.7 Å²	54.7	35%	0.347	27%	0.268	S	S	.	.	H	α-helix	trans	-69.6	-52.3	176.8	-178.1	80.8	0	0	0	112.5	E132 F133 W134 Y138 N139	E132-H136 WeakPolarHBondContact O-CB 3.32Å; E132-H136 PolarHBondContact O-N 2.8Å; F133-H136 WeakPolarHBondContact O-CB 3.3Å; F133-H136 PolarHBondContact O-N 3.16Å; W134-H136 PolarHBondContact O-N 3.46Å; H136-Y138 VanDerWaalsContact C-N 3.26Å; H136-Y138 PolarHBondContact O-N 3.25Å; H136-N139 PolarHBondContact O-N 3.06Å
137	I	92.6	Very high	93.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-38.9	-178.5	-75.9	-156.6	0	0	0	111.7	Y99 L115 W116 F133 W134	Y99-I137 HydrophobicContact CE2-CG2 3.87Å; Y99-I137 WeakPolarHBondContact CE2-O 3.24Å; L115-I137 HydrophobicContact CB-CD1 4.01Å; L115-I137 HydrophobicContact CD1-CG1 4.2Å; W116-I137 HydrophobicContact CD2-CD1 4.02Å; W116-I137 HydrophobicContact CG-CD1 4.35Å; W116-I137 HydrophobicContact CZ2-CD1 4.15Å; W116-I137 HydrophobicContact CZ2-CG2 3.81Å; F133-I137 HydrophobicContact CD1-CD1 4.44Å; F133-I137 HydrophobicContact CE1-CD1 3.53Å; F133-I137 HydrophobicContact CE1-CG1 4.1Å; F133-I137 HydrophobicContact CE2-CD1 4.02Å; F133-I137 HydrophobicContact CE2-CG1 4.41Å; F133-I137 HydrophobicContact CZ-CD1 3.26Å; F133-I137 HydrophobicContact CZ-CG1 4.01Å; F133-I137 PolarHBondContact O-N 2.75Å; W134-I137 PolarHBondContact O-N 2.92Å
138	Y	95.7	Very high	93.4	Very high	6 Å²	6	40.2 Å²	40.2	2%	0.024	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	8.4	-175.5	-60.4	-54.9	0	0	0	114.2	L71 Y99 W116 W134 H136 G140 F141 A144 T149 L156 Y160	L71-Y138 HydrophobicContact CD1-CD1 4.07Å; L71-Y138 HydrophobicContact CD1-CD2 3.65Å; L71-Y138 HydrophobicContact CD1-CE1 4.24Å; L71-Y138 HydrophobicContact CD1-CE2 3.81Å; L71-Y138 HydrophobicContact CD1-CG 3.77Å; L71-Y138 HydrophobicContact CD2-CD1 4.14Å; L71-Y138 HydrophobicContact CD2-CG 4.02Å; L71-Y138 HydrophobicContact CG-CD1 4.49Å; L71-Y138 HydrophobicContact CG-CD2 4.21Å; L71-Y138 HydrophobicContact CG-CG 4.02Å; Y99-Y138 HydrophobicContact CD1-CE1 4.22Å; Y99-Y138 HydrophobicContact CD2-CD1 4.07Å; Y99-Y138 HydrophobicContact CD2-CE1 4.24Å; Y99-Y138 HydrophobicContact CG-CD1 4.11Å; Y99-Y138 AromaticContact CG-CE1 3.95Å; Y99-Y138 HydrophobicContact CG-CE1 3.95Å; W116-Y138 VanDerWaalsContact CH2-OH 3.25Å; W116-Y138 WeakPolarHBondContact CH2-OH 3.28Å; W116-Y138 HydrophobicContact CZ2-CE1 4.4Å; W134-Y138 HydrophobicContact CB-CD2 4.46Å; W134-Y138 AromaticContact CE3-CE2 3.86Å; W134-Y138 HydrophobicContact CE3-CE2 3.86Å; W134-Y138 HydrophobicContact CZ3-CE2 4.49Å; W134-Y138 WeakPolarHBondContact O-CB 3.44Å; W134-Y138 WeakPolarHBondContact O-CD2 3.48Å; W134-Y138 PolarHBondContact O-N 2.88Å; H136-Y138 VanDerWaalsContact C-N 3.26Å; H136-Y138 PolarHBondContact O-N 3.25Å; Y138-G140 PolarHBondContact O-N 3.29Å; Y138-F141 PolarHBondContact O-N 2.91Å; Y138-A144 HydrophobicContact CD1-CB 3.79Å; Y138-A144 HydrophobicContact CE1-CB 3.31Å; Y138-T149 WeakPolarHBondContact OH-CB 3.49Å; Y138-T149 WeakPolarHBondContact OH-CG2 3.27Å; Y138-T149 PolarHBondContact OH-OG1 2.98Å; Y138-L156 HydrophobicContact CE2-CD1 4.05Å; Y138-L156 HydrophobicContact CE2-CD2 3.9Å; Y138-L156 WeakPolarHBondContact OH-CD1 3.22Å; Y138-Y160 HydrophobicContact CD2-CE2 4.4Å
139	N	90.6	Very high	93.7	Very high	130 Å²	130	32 Å²	32	70%	0.695	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	128	174.6	-172.1	20	0	0	0	110.3	S135 H136 F141	S135-N139 WeakPolarHBondContact O-CA 3.44Å; S135-N139 WeakPolarHBondContact O-CB 3.25Å; S135-N139 PolarHBondContact O-N 3.01Å; H136-N139 PolarHBondContact O-N 3.06Å; N139-F141 VanDerWaalsContact C-N 3.29Å; N139-F141 VanDerWaalsContact O-CD2 3.31Å; N139-F141 WeakPolarHBondContact O-CD2 3.49Å; N139-F141 PolarHBondContact O-N 3.09Å
140	G	90.7	Very high	94.1	Very high	35 Å²	35	31.6 Å²	31.6	36%	0.361	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-5.7	-177.1	0	0	0	0	0	115.7	K96 Y138	K96-G140 VanDerWaalsContact CE-C 3.43Å; K96-G140 WeakPolarHBondContact CE-O 3.3Å; Y138-G140 PolarHBondContact O-N 3.29Å
141	F	96.1	Very high	94.5	Very high	16 Å²	16	29.9 Å²	29.9	7%	0.07	16%	0.156	C	C	.	.			trans	-98.7	139.7	177.3	-62.4	-82.7	0	0	0	111.5	L71 Q97 Y99 E103 I108 Y138 N139	L71-F141 HydrophobicContact CD2-CB 4.3Å; Q97-F141 HydrophobicContact CB-CD1 3.72Å; Q97-F141 HydrophobicContact CB-CE1 3.82Å; Q97-F141 WeakPolarHBondContact O-CA 3.37Å; Y99-F141 HydrophobicContact CD2-CD1 4.22Å; Y99-F141 AromaticContact CD2-CD2 3.74Å; Y99-F141 HydrophobicContact CD2-CD2 3.74Å; Y99-F141 HydrophobicContact CD2-CE1 4.07Å; Y99-F141 AromaticContact CD2-CE2 3.57Å; Y99-F141 HydrophobicContact CD2-CE2 3.57Å; Y99-F141 HydrophobicContact CD2-CG 4.06Å; Y99-F141 AromaticContact CD2-CZ 3.74Å; Y99-F141 HydrophobicContact CD2-CZ 3.74Å; Y99-F141 HydrophobicContact CE2-CE2 4.12Å; Y99-F141 HydrophobicContact CE2-CZ 4.36Å; Y99-F141 VanDerWaalsContact N-CD1 3.34Å; E103-F141 HydrophobicContact CG-CE1 3.94Å; E103-F141 HydrophobicContact CG-CZ 4.11Å; I108-F141 HydrophobicContact CD1-CZ 4.05Å; Y138-F141 PolarHBondContact O-N 2.91Å; N139-F141 VanDerWaalsContact C-N 3.29Å; N139-F141 VanDerWaalsContact O-CD2 3.31Å; N139-F141 WeakPolarHBondContact O-CD2 3.49Å; N139-F141 PolarHBondContact O-N 3.09Å
142	V	96.1	Very high	95.1	Very high	11 Å²	11	23.4 Å²	23.4	7%	0.067	13%	0.132	C	C	.	.	S	Bend	trans	-92.7	-25.7	174.1	68.9	0	0	0	0	112.2	Q72 V73 Y94 K96 Q97	Q72-V142 HydrophobicContact CB-CG2 4.04Å; Q72-V142 HydrophobicContact CG-CG2 3.77Å; Q72-V142 PolarHBondContact N-O 3.48Å; V73-V142 PolarHBondContact N-O 2.8Å; Y94-V142 HydrophobicContact CD1-CG2 3.51Å; Y94-V142 HydrophobicContact CD2-CG1 4.25Å; Y94-V142 HydrophobicContact CD2-CG2 4.39Å; Y94-V142 HydrophobicContact CE1-CG2 4.03Å; Y94-V142 HydrophobicContact CG-CB 4.46Å; Y94-V142 HydrophobicContact CG-CG1 3.93Å; Y94-V142 HydrophobicContact CG-CG2 3.72Å; K96-V142 HydrophobicContact CB-CB 4.02Å; K96-V142 HydrophobicContact CB-CG1 3.92Å; K96-V142 HydrophobicContact CD-CB 3.96Å; K96-V142 HydrophobicContact CG-CB 3.95Å; K96-V142 HydrophobicContact CG-CG1 4.21Å; Q97-V142 PolarHBondContact O-N 3.44Å
143	A	98.5	Very high	95.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.6	-177.5	0	0	0	0	0	110	V73 L90 C98 Y99	V73-A143 HydrophobicContact CB-CB 3.82Å; V73-A143 CarbonylContact O-C 3.42Å; V73-A143 WeakPolarHBondContact O-CA 3.42Å; L90-A143 HydrophobicContact CB-CB 4.4Å; L90-A143 HydrophobicContact CD1-CB 3.81Å; C98-A143 CarbonylContact C-O 3.58Å; C98-A143 VanDerWaalsContact CA-O 3.26Å; C98-A143 WeakPolarHBondContact CA-O 3.39Å; C98-A143 HydrophobicContact CB-CB 4.17Å; Y99-A143 PolarHBondContact N-O 3.47Å
144	A	98.7	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	121.1	174	0	0	0	0	0	109.6	L71 V73 I74 G75 Y99 Y138 T149	L71-A144 HydrophobicContact CD1-CB 3.69Å; L71-A144 HydrophobicContact CD2-CB 3.98Å; V73-A144 PolarHBondContact O-N 3.49Å; I74-A144 CarbonylContact C-O 3.57Å; I74-A144 WeakPolarHBondContact CA-O 3.39Å; G75-A144 PolarHBondContact N-O 3.16Å; Y99-A144 WeakPolarHBondContact O-CA 3.17Å; Y138-A144 HydrophobicContact CD1-CB 3.79Å; Y138-A144 HydrophobicContact CE1-CB 3.31Å; A144-T149 HydrophobicContact CB-CG2 3.69Å
145	V	98.7	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.			trans	-133.3	167.4	-176.8	-54	0	0	0	0	109.7	L86 K87 L90 Y99 H100	L86-V145 HydrophobicContact CD2-CG1 3.94Å; L86-V145 HydrophobicContact CG-CG1 4.31Å; K87-V145 HydrophobicContact CB-CG2 3.98Å; L90-V145 HydrophobicContact CD1-CG1 3.76Å; Y99-V145 PolarHBondContact O-N 3.24Å; Y99-V145 VanDerWaalsContact O-O 3.1Å; H100-V145 WeakPolarHBondContact CA-O 3.46Å; H100-V145 HydrophobicContact CB-CG2 4.45Å
146	D	98	Very high	96.2	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.053	12%	0.121	C	C	.	.	S	Bend	trans	65.3	-172.6	-177.5	-157	55	0	0	0	112.9	T83 H100 M101 T149 A150	T83-D146 WeakPolarHBondContact CB-OD1 3.42Å; T83-D146 HydrophobicContact CG2-CB 4.16Å; T83-D146 PolarHBondContact OG1-OD1 2.87Å; H100-D146 HydrophobicContact CB-CB 4.49Å; H100-D146 IonicContact CE1-OD1 2.64Å; H100-D146 IonicContact CE1-OD2 2.84Å; H100-D146 PolarHBondContact CE1-OD2 2.95Å; H100-D146 IonicContact ND1-OD2 2.67Å; H100-D146 PolarHBondContact ND1-OD2 2.86Å; H100-D146 VanDerWaalsContact ND1-OD2 3.11Å; H100-D146 IonicContact NE2-OD2 3.9Å; M101-D146 WeakPolarHBondContact CB-OD2 3.26Å; D146-T149 WeakPolarHBondContact O-CB 3.42Å; D146-T149 PolarHBondContact O-N 2.8Å; D146-A150 PolarHBondContact O-N 2.62Å
147	Y	97.7	Very high	96.5	Very high	4 Å²	4	19 Å²	19	2%	0.016	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	150.7	171.2	-75.5	-75.2	0	0	0	112.3	M79 M101 M215 F216 T219	M79-Y147 HydrophobicContact CB-CD2 3.93Å; M79-Y147 HydrophobicContact CB-CE2 3.76Å; M79-Y147 HydrophobicContact CE-CE2 4.36Å; M79-Y147 HydrophobicContact CG-CD2 4.4Å; M79-Y147 HydrophobicContact CG-CE2 3.77Å; M79-Y147 HydrophobicContact SD-CD2 4.31Å; M79-Y147 HydrophobicContact SD-CE2 3.67Å; M101-Y147 WeakPolarHBondContact CA-O 3.17Å; M101-Y147 WeakPolarHBondContact CB-O 3.16Å; M101-Y147 PolarHBondContact N-O 2.7Å; Y147-M215 HydrophobicContact CD1-CB 3.77Å; Y147-M215 HydrophobicContact CD1-CE 4.49Å; Y147-M215 HydrophobicContact CD1-CG 4.21Å; Y147-M215 HydrophobicContact CD1-SD 3.91Å; Y147-M215 HydrophobicContact CE1-CB 4Å; Y147-M215 HydrophobicContact CG-CE 4.37Å; Y147-M215 HydrophobicContact CG-SD 4.14Å; Y147-F216 HydrophobicContact CE2-CD1 4.49Å; Y147-F216 HydrophobicContact CE2-CE1 4.18Å; Y147-T219 HydrophobicContact CE1-CG2 3.63Å; Y147-T219 WeakPolarHBondContact CE1-OG1 3.29Å; Y147-T219 WeakPolarHBondContact OH-CB 3.36Å; Y147-T219 PolarHBondContact OH-OG1 3.21Å
148	P	97.7	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	cis	-79.9	-15.2	-5.9	-16.1	33.7	0	0	0	113.9	L104 W116 A150 G151 L211 M215	L104-P148 HydrophobicContact CD2-CG 4.08Å; W116-P148 HydrophobicContact CB-CG 4.1Å; W116-P148 HydrophobicContact CD2-CB 3.54Å; W116-P148 HydrophobicContact CD2-CG 3.53Å; W116-P148 HydrophobicContact CE3-CB 3.57Å; W116-P148 HydrophobicContact CE3-CG 4.12Å; W116-P148 HydrophobicContact CG-CB 4Å; W116-P148 HydrophobicContact CG-CG 3.53Å; W116-P148 HydrophobicContact CH2-CB 4.18Å; W116-P148 HydrophobicContact CZ2-CB 4.17Å; W116-P148 HydrophobicContact CZ2-CG 4.3Å; W116-P148 HydrophobicContact CZ3-CB 3.9Å; P148-A150 VanDerWaalsContact C-N 3.28Å; P148-A150 PolarHBondContact O-N 3.08Å; P148-A150 VanDerWaalsContact O-N 3.14Å; P148-G151 PolarHBondContact O-N 2.89Å; P148-L211 HydrophobicContact CG-CD2 4.38Å; P148-M215 HydrophobicContact CB-CG 4.21Å; P148-M215 HydrophobicContact CB-SD 3.43Å; P148-M215 WeakPolarHBondContact CB-SD 3.24Å; P148-M215 HydrophobicContact CG-SD 3.4Å; P148-M215 WeakPolarHBondContact CG-SD 3.38Å
149	T	98.6	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-47.8	-43.2	-175.2	-56.4	0	0	0	0	114.2	I74 Y138 A144 D146 G151 F152 Y153 L156	I74-T149 HydrophobicContact CG2-CG2 4.1Å; Y138-T149 WeakPolarHBondContact OH-CB 3.49Å; Y138-T149 WeakPolarHBondContact OH-CG2 3.27Å; Y138-T149 PolarHBondContact OH-OG1 2.98Å; A144-T149 HydrophobicContact CB-CG2 3.69Å; D146-T149 WeakPolarHBondContact O-CB 3.42Å; D146-T149 PolarHBondContact O-N 2.8Å; T149-G151 PolarHBondContact O-N 3.15Å; T149-F152 CarbonylContact O-C 3.39Å; T149-F152 WeakPolarHBondContact O-CA 3.44Å; T149-F152 PolarHBondContact O-N 3.43Å; T149-Y153 PolarHBondContact O-N 3.01Å; T149-L156 HydrophobicContact CG2-CD1 3.73Å
150	A	98.5	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-55.7	-36.3	-178.9	0	0	0	0	0	112.3	G75 G77 L78 D146 P148 F152 Y153 W239	G75-A150 WeakPolarHBondContact O-CA 3.44Å; G77-A150 WeakPolarHBondContact O-CB 3.32Å; L78-A150 HydrophobicContact CD2-CB 4.38Å; D146-A150 PolarHBondContact O-N 2.62Å; P148-A150 VanDerWaalsContact C-N 3.28Å; P148-A150 PolarHBondContact O-N 3.08Å; P148-A150 VanDerWaalsContact O-N 3.14Å; A150-F152 PolarHBondContact O-N 3.18Å; A150-F152 VanDerWaalsContact O-N 3.15Å; A150-Y153 VanDerWaalsContact O-CD1 3.3Å; A150-Y153 WeakPolarHBondContact O-CD1 3.5Å; A150-Y153 PolarHBondContact O-N 3.27Å; A150-W239 WeakPolarHBondContact O-CH2 3.36Å; A150-W239 VanDerWaalsContact O-CZ2 3.25Å; A150-W239 WeakPolarHBondContact O-CZ2 3.34Å
151	G	97.9	Very high	96.7	Very high	16 Å²	16	21.9 Å²	21.9	17%	0.165	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-64	-17	176.4	0	0	0	0	0	114.4	P148 T149	P148-G151 PolarHBondContact O-N 2.89Å; T149-G151 PolarHBondContact O-N 3.15Å
152	F	98.3	Very high	96.5	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.022	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-116.4	13.7	-176.4	-68.4	-93.5	0	0	0	112.7	W116 A119 I120 D123 I129 W134 T149 A150 E154 H155 L156	W116-F152 HydrophobicContact CE3-CD2 4.42Å; W116-F152 HydrophobicContact CE3-CE2 4.12Å; W116-F152 AromaticContact CZ3-CD2 3.66Å; W116-F152 HydrophobicContact CZ3-CD2 3.66Å; W116-F152 AromaticContact CZ3-CE2 3.79Å; W116-F152 HydrophobicContact CZ3-CE2 3.79Å; W116-F152 HydrophobicContact CZ3-CG 4.34Å; A119-F152 HydrophobicContact CB-CE1 4.48Å; A119-F152 HydrophobicContact CB-CZ 4.13Å; I120-F152 HydrophobicContact CG1-CE2 3.89Å; I120-F152 HydrophobicContact CG1-CZ 3.93Å; D123-F152 HydrophobicContact CB-CE1 3.83Å; D123-F152 HydrophobicContact CB-CZ 4.18Å; I129-F152 HydrophobicContact CD1-CD1 4.37Å; I129-F152 HydrophobicContact CD1-CE1 3.72Å; W134-F152 HydrophobicContact CH2-CB 4.19Å; W134-F152 AromaticContact CH2-CD1 3.52Å; W134-F152 HydrophobicContact CH2-CD1 3.52Å; W134-F152 HydrophobicContact CH2-CD2 4.49Å; W134-F152 AromaticContact CH2-CE1 3.94Å; W134-F152 HydrophobicContact CH2-CE1 3.94Å; W134-F152 AromaticContact CH2-CG 3.82Å; W134-F152 HydrophobicContact CH2-CG 3.82Å; W134-F152 AromaticContact CZ2-CD1 3.99Å; W134-F152 HydrophobicContact CZ2-CD1 3.99Å; W134-F152 HydrophobicContact CZ2-CE1 4.42Å; T149-F152 CarbonylContact O-C 3.39Å; T149-F152 WeakPolarHBondContact O-CA 3.44Å; T149-F152 PolarHBondContact O-N 3.43Å; A150-F152 PolarHBondContact O-N 3.18Å; A150-F152 VanDerWaalsContact O-N 3.15Å; F152-E154 VanDerWaalsContact C-N 3.28Å; F152-E154 PolarHBondContact O-N 2.9Å; F152-H155 PolarHBondContact O-N 3.26Å; F152-H155 VanDerWaalsContact O-N 3.14Å; F152-L156 HydrophobicContact CB-CD1 3.94Å; F152-L156 HydrophobicContact CB-CG 4.11Å; F152-L156 WeakPolarHBondContact O-CB 3.39Å; F152-L156 VanDerWaalsContact O-CG 3.31Å; F152-L156 WeakPolarHBondContact O-CG 2.91Å; F152-L156 PolarHBondContact O-N 2.93Å
153	Y	98.1	Very high	96.6	Very high	13 Å²	13	27.3 Å²	27.3	5%	0.051	14%	0.136	C	C	.	.	H	α-helix	trans	-54.8	-41.8	-171.2	79.6	-82.9	0	0	0	113	A76 T149 A150 L156 S157 W239 V243 S246 I247	A76-Y153 HydrophobicContact CB-CD1 4.4Å; A76-Y153 HydrophobicContact CB-CD2 3.94Å; A76-Y153 HydrophobicContact CB-CG 3.74Å; T149-Y153 PolarHBondContact O-N 3.01Å; A150-Y153 VanDerWaalsContact O-CD1 3.3Å; A150-Y153 WeakPolarHBondContact O-CD1 3.5Å; A150-Y153 PolarHBondContact O-N 3.27Å; Y153-L156 PolarHBondContact O-N 3.19Å; Y153-S157 WeakPolarHBondContact O-CB 3.29Å; Y153-S157 PolarHBondContact O-N 3.14Å; Y153-W239 AromaticContact CD1-CH2 3.91Å; Y153-W239 HydrophobicContact CD1-CH2 3.91Å; Y153-W239 AromaticContact CD1-CZ2 3.76Å; Y153-W239 HydrophobicContact CD1-CZ2 3.76Å; Y153-W239 AromaticContact CE1-CH2 3.89Å; Y153-W239 HydrophobicContact CE1-CH2 3.89Å; Y153-W239 AromaticContact CE1-CZ2 3.89Å; Y153-W239 HydrophobicContact CE1-CZ2 3.89Å; Y153-V243 HydrophobicContact CD1-CG2 4.22Å; Y153-V243 HydrophobicContact CD2-CG1 4.37Å; Y153-V243 HydrophobicContact CD2-CG2 4.32Å; Y153-V243 HydrophobicContact CE1-CG2 3.68Å; Y153-V243 HydrophobicContact CE2-CB 4.14Å; Y153-V243 HydrophobicContact CE2-CG1 4.08Å; Y153-V243 HydrophobicContact CE2-CG2 3.81Å; Y153-V243 VanDerWaalsContact CZ-CG2 3.45Å; Y153-V243 WeakPolarHBondContact OH-CA 3.47Å; Y153-S246 WeakPolarHBondContact CE2-OG 3.41Å; Y153-S246 PolarHBondContact OH-OG 2.84Å; Y153-I247 HydrophobicContact CD2-CD1 4.05Å; Y153-I247 HydrophobicContact CD2-CG1 4.16Å; Y153-I247 HydrophobicContact CE2-CD1 3.97Å; Y153-I247 HydrophobicContact CE2-CG1 3.93Å
154	E	96.3	Very high	96.6	Very high	79 Å²	79	30.5 Å²	30.5	37%	0.369	15%	0.15	S	C	.	.	H	α-helix	trans	-71.7	-37.1	-177.7	-161.3	-153.3	144.3	0	0	111.9	F152 S157 K158	F152-E154 VanDerWaalsContact C-N 3.28Å; F152-E154 PolarHBondContact O-N 2.9Å; E154-S157 PolarHBondContact O-OG 3.16Å; E154-K158 WeakPolarHBondContact O-CG 3.3Å; E154-K158 WeakPolarHBondContact OE1-CE 3.49Å; E154-K158 IonicContact OE1-NZ 2.87Å; E154-K158 PolarHBondContact OE1-NZ 2.89Å
155	H	95.4	Very high	96.6	Very high	64 Å²	64	30.5 Å²	30.5	30%	0.296	15%	0.15	S	C	.	.	H	α-helix	trans	-68.6	-44.8	174.9	-176.3	73	0	0	0	110.5	W134 F152 S157 K158 I159	W134-H155 AromaticContact CE2-CD2 3.63Å; W134-H155 AromaticContact CE2-NE2 3.74Å; W134-H155 AromaticContact CZ2-CD2 3.47Å; W134-H155 VanDerWaalsContact CZ2-CD2 3.47Å; W134-H155 WeakPolarHBondContact CZ2-CD2 3.48Å; W134-H155 AromaticContact CZ2-NE2 3.83Å; W134-H155 AromaticContact NE1-CD2 3.51Å; W134-H155 AromaticContact NE1-NE2 3.18Å; W134-H155 PolarHBondContact NE1-NE2 3.38Å; W134-H155 VanDerWaalsContact NE1-NE2 3.18Å; F152-H155 PolarHBondContact O-N 3.26Å; F152-H155 VanDerWaalsContact O-N 3.14Å; H155-S157 VanDerWaalsContact C-N 3.33Å; H155-S157 PolarHBondContact O-N 2.8Å; H155-K158 WeakPolarHBondContact O-CB 3.42Å; H155-K158 PolarHBondContact O-N 2.98Å; H155-I159 VanDerWaalsContact NE2-CD1 3.3Å; H155-I159 WeakPolarHBondContact NE2-CD1 3.33Å; H155-I159 PolarHBondContact O-N 3.24Å
156	L	96.5	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68	-30.9	179	-66.6	172.5	0	0	0	112.6	I74 W134 Y138 T149 F152 Y153 K158 I159 Y160	I74-L156 HydrophobicContact CD1-CB 3.77Å; I74-L156 HydrophobicContact CG2-CB 4.5Å; W134-L156 HydrophobicContact CB-CD2 4.46Å; W134-L156 HydrophobicContact CD2-CD2 3.59Å; W134-L156 HydrophobicContact CE3-CD2 3.6Å; W134-L156 HydrophobicContact CG-CD2 4.01Å; W134-L156 HydrophobicContact CH2-CD2 4.47Å; W134-L156 HydrophobicContact CZ2-CD2 4.48Å; W134-L156 HydrophobicContact CZ3-CD2 4.05Å; Y138-L156 HydrophobicContact CE2-CD1 4.05Å; Y138-L156 HydrophobicContact CE2-CD2 3.9Å; Y138-L156 WeakPolarHBondContact OH-CD1 3.22Å; T149-L156 HydrophobicContact CG2-CD1 3.73Å; F152-L156 HydrophobicContact CB-CD1 3.94Å; F152-L156 HydrophobicContact CB-CG 4.11Å; F152-L156 WeakPolarHBondContact O-CB 3.39Å; F152-L156 VanDerWaalsContact O-CG 3.31Å; F152-L156 WeakPolarHBondContact O-CG 2.91Å; F152-L156 PolarHBondContact O-N 2.93Å; Y153-L156 PolarHBondContact O-N 3.19Å; L156-K158 PolarHBondContact O-N 3.26Å; L156-I159 PolarHBondContact O-N 3.3Å; L156-Y160 HydrophobicContact CD2-CD2 4.38Å; L156-Y160 HydrophobicContact CD2-CE2 4.04Å; L156-Y160 PolarHBondContact O-N 3.19Å
157	S	95.7	Very high	96.6	Very high	10 Å²	10	30 Å²	30	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-26.9	175.9	79.4	0	0	0	0	112.9	Y153 E154 H155 Y160 P161 R251	Y153-S157 WeakPolarHBondContact O-CB 3.29Å; Y153-S157 PolarHBondContact O-N 3.14Å; E154-S157 PolarHBondContact O-OG 3.16Å; H155-S157 VanDerWaalsContact C-N 3.33Å; H155-S157 PolarHBondContact O-N 2.8Å; S157-Y160 CarbonylContact O-C 3.59Å; S157-P161 WeakPolarHBondContact O-CA 3.49Å; S157-R251 PolarHBondContact O-NH2 3.44Å; S157-R251 VanDerWaalsContact O-NH2 3.16Å
158	K	94	Very high	96.7	Very high	134 Å²	134	29.9 Å²	29.9	58%	0.583	15%	0.147	S	C	*	.	H	α-helix	trans	-78.8	-40.6	174.2	-64.3	167.8	-170.7	167.7	0	111.4	E154 H155 L156	E154-K158 WeakPolarHBondContact O-CG 3.3Å; E154-K158 WeakPolarHBondContact OE1-CE 3.49Å; E154-K158 IonicContact OE1-NZ 2.87Å; E154-K158 PolarHBondContact OE1-NZ 2.89Å; H155-K158 WeakPolarHBondContact O-CB 3.42Å; H155-K158 PolarHBondContact O-N 2.98Å; L156-K158 PolarHBondContact O-N 3.26Å
159	I	92.5	Very high	96.7	Very high	28 Å²	28	32.4 Å²	32.4	14%	0.144	16%	0.16	C	C	.	.	H	α-helix	trans	-70.9	-36.6	178.3	-67.2	-177.2	0	0	0	112.2	R131 W134 H155 L156 P161	R131-I159 HydrophobicContact CG-CG2 4.18Å; W134-I159 HydrophobicContact CG-CD1 4.01Å; H155-I159 VanDerWaalsContact NE2-CD1 3.3Å; H155-I159 WeakPolarHBondContact NE2-CD1 3.33Å; H155-I159 PolarHBondContact O-N 3.24Å; L156-I159 PolarHBondContact O-N 3.3Å; I159-P161 VanDerWaalsContact C-CD 3.42Å; I159-P161 VanDerWaalsContact O-CD 3.24Å; I159-P161 WeakPolarHBondContact O-CD 3.37Å
160	Y	94	Very high	96.6	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.016	18%	0.176	C	C	.	.	S	Bend	trans	-115.2	74.8	176.6	-55.9	-72.9	0	0	0	109.5	L71 I74 W134 Y138 L156 S157 H162 A163 R251	L71-Y160 HydrophobicContact CB-CD2 4.37Å; L71-Y160 HydrophobicContact CB-CG 4.4Å; L71-Y160 HydrophobicContact CD1-CD2 4.32Å; L71-Y160 HydrophobicContact CD1-CE2 4.14Å; L71-Y160 HydrophobicContact CG-CE2 4.35Å; I74-Y160 HydrophobicContact CD1-CD2 4.27Å; W134-Y160 HydrophobicContact CB-CE2 4.4Å; Y138-Y160 HydrophobicContact CD2-CE2 4.4Å; L156-Y160 HydrophobicContact CD2-CD2 4.38Å; L156-Y160 HydrophobicContact CD2-CE2 4.04Å; L156-Y160 PolarHBondContact O-N 3.19Å; S157-Y160 CarbonylContact O-C 3.59Å; Y160-H162 PolarHBondContact O-N 3.46Å; Y160-H162 VanDerWaalsContact O-N 3.15Å; Y160-A163 VanDerWaalsContact O-CB 3.3Å; Y160-A163 WeakPolarHBondContact O-CB 3.47Å; Y160-A163 PolarHBondContact O-N 2.71Å; Y160-R251 PolarHBondContact O-NH2 3.01Å
161	P	93.8	Very high	96.5	Very high	65 Å²	65	40.5 Å²	40.5	42%	0.422	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.6	-173.5	27.2	-36.1	0	0	0	113.9	S157 I159 R251	S157-P161 WeakPolarHBondContact O-CA 3.49Å; I159-P161 VanDerWaalsContact C-CD 3.42Å; I159-P161 VanDerWaalsContact O-CD 3.24Å; I159-P161 WeakPolarHBondContact O-CD 3.37Å; P161-R251 PolarHBondContact O-NE 3.26Å; P161-R251 PolarHBondContact O-NH1 3.14Å; P161-R251 PolarHBondContact O-NH2 3.15Å; P161-R251 VanDerWaalsContact O-NH2 3.16Å
162	H	92.2	Very high	96.5	Very high	142 Å²	142	41.5 Å²	41.5	66%	0.657	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.4	175.3	-57.4	-59.3	0	0	0	113.3	Y160	Y160-H162 PolarHBondContact O-N 3.46Å; Y160-H162 VanDerWaalsContact O-N 3.15Å
163	A	97.1	Very high	96.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.			trans	-68.7	135.5	176.2	0	0	0	0	0	110	L71 Q72 I74 Y160 R251	L71-A163 WeakPolarHBondContact O-CB 3.47Å; Q72-A163 WeakPolarHBondContact O-CA 3.47Å; I74-A163 HydrophobicContact CD1-CB 3.71Å; I74-A163 HydrophobicContact CG1-CB 4.08Å; Y160-A163 VanDerWaalsContact O-CB 3.3Å; Y160-A163 WeakPolarHBondContact O-CB 3.47Å; Y160-A163 PolarHBondContact O-N 2.71Å; A163-R251 PolarHBondContact O-NE 3.03Å; A163-R251 PolarHBondContact O-NH2 3.16Å
164	K	98.5	Very high	96.4	Very high	67 Å²	67	47 Å²	47	29%	0.291	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	141.7	169.5	-71.8	-178.2	177.1	172.9	0	109.7	Q72 V73 I74 F267 L268	Q72-K164 PolarHBondContact O-N 3.2Å; V73-K164 CarbonylContact C-O 3.59Å; V73-K164 VanDerWaalsContact CA-O 3.3Å; V73-K164 WeakPolarHBondContact CA-O 3.45Å; I74-K164 PolarHBondContact N-O 3Å; K164-F267 HydrophobicContact CB-CE1 3.62Å; K164-F267 HydrophobicContact CB-CZ 3.77Å; K164-F267 HydrophobicContact CD-CD1 4.27Å; K164-F267 HydrophobicContact CD-CE1 3.95Å; K164-F267 HydrophobicContact CD-CE2 4.43Å; K164-F267 HydrophobicContact CD-CZ 4.03Å; K164-F267 WeakPolarHBondContact CE-O 3.31Å; K164-F267 HydrophobicContact CG-CE1 4.17Å; K164-F267 HydrophobicContact CG-CZ 4.04Å; K164-F267 PolarHBondContact NZ-O 2.71Å; K164-L268 HydrophobicContact CB-CD2 4.19Å; K164-L268 HydrophobicContact CD-CD2 3.8Å
165	I	98.8	Very high	96.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.7	-178.9	-47	-56.8	0	0	0	109.1	I74 A76 I247 R251 L252 L253	I74-I165 HydrophobicContact CB-CD1 3.75Å; I74-I165 HydrophobicContact CD1-CD1 3.97Å; I74-I165 HydrophobicContact CG1-CD1 4.38Å; I74-I165 HydrophobicContact CG2-CD1 4.34Å; I74-I165 CarbonylContact O-C 3.54Å; I74-I165 VanDerWaalsContact O-CA 3.31Å; I74-I165 WeakPolarHBondContact O-CA 3.48Å; A76-I165 HydrophobicContact CB-CG2 3.98Å; I165-I247 HydrophobicContact CB-CG2 3.99Å; I165-I247 HydrophobicContact CG1-CD1 4.34Å; I165-I247 HydrophobicContact CG1-CG1 4.36Å; I165-I247 HydrophobicContact CG1-CG2 3.68Å; I165-I247 HydrophobicContact CG2-CG1 4.36Å; I165-R251 PolarHBondContact N-O 3.44Å; I165-L252 HydrophobicContact CB-CD1 4.1Å; I165-L252 HydrophobicContact CG2-CD1 3.98Å; I165-L252 WeakPolarHBondContact O-CA 3.44Å; I165-L253 PolarHBondContact O-N 2.61Å
166	I	98.9	Very high	96.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.2	175.8	-55.1	-179.6	0	0	0	109.5	V73 I74 G75 A76 L86 L90 L253 F255 L264 F267 L268	V73-I166 HydrophobicContact CG1-CD1 3.62Å; V73-I166 HydrophobicContact CG1-CG1 3.92Å; I74-I166 PolarHBondContact O-N 2.8Å; G75-I166 CarbonylContact C-O 3.49Å; G75-I166 WeakPolarHBondContact CA-O 3.37Å; A76-I166 PolarHBondContact N-O 3.31Å; L86-I166 HydrophobicContact CD1-CD1 4.09Å; L86-I166 HydrophobicContact CD1-CG2 4.43Å; L86-I166 HydrophobicContact CD2-CB 4.08Å; L86-I166 HydrophobicContact CD2-CD1 4.46Å; L86-I166 HydrophobicContact CD2-CG2 3.7Å; L90-I166 HydrophobicContact CD2-CD1 4.46Å; I166-L253 CarbonylContact C-O 3.59Å; I166-L253 WeakPolarHBondContact CA-O 3.48Å; I166-L253 HydrophobicContact CG1-CB 4.38Å; I166-L253 HydrophobicContact CG2-CD2 4.47Å; I166-F255 HydrophobicContact CG2-CB 3.93Å; I166-L264 HydrophobicContact CD1-CD1 3.49Å; I166-L264 VanDerWaalsContact CD1-CD1 3.49Å; I166-F267 HydrophobicContact CG1-CD1 4.39Å; I166-F267 HydrophobicContact CG1-CE1 3.97Å; I166-L268 HydrophobicContact CD1-CD2 4.46Å
167	L	98.9	Very high	96.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	108.2	171.5	177.7	64.5	0	0	0	108.8	A76 I169 N240 V243 I244 L252 L253 V254 F255	A76-L167 HydrophobicContact CB-CD1 4.33Å; L167-I169 HydrophobicContact CD2-CG2 4.1Å; L167-I169 HydrophobicContact CG-CG2 3.96Å; L167-N240 HydrophobicContact CD2-CB 4.05Å; L167-V243 HydrophobicContact CB-CG1 3.99Å; L167-V243 HydrophobicContact CD1-CB 4.16Å; L167-V243 HydrophobicContact CD1-CG1 3.96Å; L167-V243 HydrophobicContact CD1-CG2 4.17Å; L167-V243 HydrophobicContact CD2-CB 4.07Å; L167-V243 HydrophobicContact CD2-CG1 3.94Å; L167-V243 HydrophobicContact CG-CG1 4.16Å; L167-I244 HydrophobicContact CD2-CD1 4.15Å; L167-I244 HydrophobicContact CD2-CG1 3.86Å; L167-L252 HydrophobicContact CB-CD1 4.15Å; L167-L253 PolarHBondContact N-O 3.08Å; L167-V254 HydrophobicContact CD2-CG2 4.37Å; L167-V254 WeakPolarHBondContact O-CA 3.42Å; L167-F255 PolarHBondContact O-N 3.36Å
168	T	98.7	Very high	96.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125	173.2	41.6	0	0	0	0	110.4	G77 S81 T83 L86 F255	G77-T168 WeakPolarHBondContact CA-OG1 3.4Å; S81-T168 WeakPolarHBondContact CB-O 3.47Å; S81-T168 WeakPolarHBondContact O-CB 3.42Å; S81-T168 WeakPolarHBondContact OG-CB 3.47Å; S81-T168 PolarHBondContact OG-O 3.48Å; S81-T168 PolarHBondContact OG-OG1 3.1Å; T83-T168 WeakPolarHBondContact CG2-OG1 3.42Å; L86-T168 HydrophobicContact CB-CG2 4.24Å; L86-T168 HydrophobicContact CD2-CG2 3.69Å; T168-F255 CarbonylContact C-O 3.52Å; T168-F255 VanDerWaalsContact CA-O 3.27Å; T168-F255 WeakPolarHBondContact CA-O 3.3Å; T168-F255 HydrophobicContact CG2-CD1 4.12Å
169	I	98.3	Very high	96.1	Very high	53 Å²	53	38.7 Å²	38.7	27%	0.272	19%	0.192	S	C	.	.			trans	-114	158.5	-177.8	60.1	161.9	0	0	0	111.9	L167 Y236 V254 F255 D256	L167-I169 HydrophobicContact CD2-CG2 4.1Å; L167-I169 HydrophobicContact CG-CG2 3.96Å; I169-Y236 WeakPolarHBondContact CA-OH 3.43Å; I169-V254 HydrophobicContact CB-CG1 4.46Å; I169-V254 HydrophobicContact CD1-CG1 3.61Å; I169-V254 HydrophobicContact CG1-CG1 3.94Å; I169-V254 HydrophobicContact CG2-CG1 3.71Å; I169-F255 PolarHBondContact N-O 2.74Å; I169-D256 HydrophobicContact CG1-CB 4.25Å
170	R	96.3	Very high	96.1	Very high	89 Å²	89	40.1 Å²	40.1	34%	0.336	20%	0.195	S	C	.	.			trans	-149.2	154.4	173.9	-173.9	176.5	-163.7	142.1	14.7	108	R80 D174 W175 Y236	R80-R170 WeakPolarHBondContact O-CD 3.42Å; R80-R170 PolarHBondContact O-NH1 2.93Å; R170-D174 HydrophobicContact CG-CB 4.41Å; R170-W175 HydrophobicContact CB-CB 4.38Å; R170-W175 HydrophobicContact CG-CB 4.45Å; R170-Y236 PolarHBondContact N-OH 3.39Å; R170-Y236 VanDerWaalsContact N-OH 3.12Å; R170-Y236 WeakPolarHBondContact O-CE1 3.4Å
171	D	97.2	Very high	95.9	Very high	81 Å²	81	41.7 Å²	41.7	43%	0.433	21%	0.209	S	C	.	.			trans	-47.2	126.4	165.3	171.4	-98.9	0	0	0	111	D173 D174 W175	D171-D173 VanDerWaalsContact C-N 3.32Å; D171-D173 PolarHBondContact O-N 3Å; D171-D173 WeakPolarHBondContact OD1-CA 3.32Å; D171-D173 VanDerWaalsContact OD1-CB 3.23Å; D171-D173 WeakPolarHBondContact OD1-CB 3.43Å; D171-D173 PolarHBondContact OD1-N 2.99Å; D171-D173 VanDerWaalsContact OD1-N 3.16Å; D171-D174 HydrophobicContact CB-CB 4.22Å; D171-D174 PolarHBondContact O-N 3.11Å; D171-D174 PolarHBondContact OD1-N 2.94Å; D171-W175 WeakPolarHBondContact O-CB 3.44Å; D171-W175 PolarHBondContact O-N 3.32Å
172	P	97.7	Very high	95.6	Very high	37 Å²	37	38.6 Å²	38.6	24%	0.24	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-38.1	-175.2	-28.2	35.9	0	0	0	114	W175 V176 K233 Y236	P172-W175 PolarHBondContact O-N 3.38Å; P172-V176 WeakPolarHBondContact O-CG2 3.33Å; P172-V176 PolarHBondContact O-N 2.92Å; P172-K233 HydrophobicContact CB-CB 4.26Å; P172-K233 HydrophobicContact CB-CG 4.1Å; P172-Y236 HydrophobicContact CB-CD1 4.31Å; P172-Y236 HydrophobicContact CG-CD1 4.44Å
173	D	97.3	Very high	95.3	Very high	65 Å²	65	32.9 Å²	32.9	35%	0.348	16%	0.164	S	C	.	.	H	α-helix	trans	-61.6	-48.5	176.6	-91	-83	0	0	0	111.5	D171 W175 V176 K177 K233	D171-D173 VanDerWaalsContact C-N 3.32Å; D171-D173 PolarHBondContact O-N 3Å; D171-D173 WeakPolarHBondContact OD1-CA 3.32Å; D171-D173 VanDerWaalsContact OD1-CB 3.23Å; D171-D173 WeakPolarHBondContact OD1-CB 3.43Å; D171-D173 PolarHBondContact OD1-N 2.99Å; D171-D173 VanDerWaalsContact OD1-N 3.16Å; D173-W175 VanDerWaalsContact C-N 3.33Å; D173-V176 PolarHBondContact O-N 3.21Å; D173-K177 VanDerWaalsContact O-CG 3.28Å; D173-K177 WeakPolarHBondContact O-CG 3.45Å; D173-K177 PolarHBondContact O-N 2.96Å; D173-K233 WeakPolarHBondContact OD1-CE 3.22Å; D173-K233 IonicContact OD1-NZ 2.77Å; D173-K233 PolarHBondContact OD1-NZ 3.18Å; D173-K233 VanDerWaalsContact OD2-CE 3.32Å; D173-K233 WeakPolarHBondContact OD2-CE 3.25Å; D173-K233 IonicContact OD2-NZ 3.99Å; D173-K233 PolarHBondContact OD2-NZ 3.26Å
174	D	95.4	Very high	94.8	Very high	69 Å²	69	33 Å²	33	37%	0.369	17%	0.165	S	C	.	.	H	α-helix	trans	-68.2	-33.5	177.2	-81.4	-10.4	0	0	0	112.8	R170 D171 K177 S178	R170-D174 HydrophobicContact CG-CB 4.41Å; D171-D174 HydrophobicContact CB-CB 4.22Å; D171-D174 PolarHBondContact O-N 3.11Å; D171-D174 PolarHBondContact OD1-N 2.94Å; D174-K177 IonicContact OD1-NZ 2.65Å; D174-S178 WeakPolarHBondContact O-CB 3.33Å; D174-S178 PolarHBondContact O-N 3.03Å
175	W	96.3	Very high	94.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-51.4	173.8	-176.2	87.9	0	0	0	111	L78 M79 R170 D171 P172 D173 K177 S178 C179 L220 L232 Y236	L78-W175 HydrophobicContact CB-CZ2 4.31Å; L78-W175 HydrophobicContact CD1-CZ2 4.27Å; M79-W175 HydrophobicContact CE-CZ2 4.29Å; M79-W175 PolarHBondContact O-NE1 2.88Å; R170-W175 HydrophobicContact CB-CB 4.38Å; R170-W175 HydrophobicContact CG-CB 4.45Å; D171-W175 WeakPolarHBondContact O-CB 3.44Å; D171-W175 PolarHBondContact O-N 3.32Å; P172-W175 PolarHBondContact O-N 3.38Å; D173-W175 VanDerWaalsContact C-N 3.33Å; W175-K177 PolarHBondContact O-N 3.23Å; W175-S178 WeakPolarHBondContact O-CB 3.28Å; W175-S178 PolarHBondContact O-N 3.32Å; W175-S178 VanDerWaalsContact O-N 3.17Å; W175-C179 VanDerWaalsContact CZ2-SG 3.53Å; W175-C179 WeakPolarHBondContact O-CB 3.31Å; W175-C179 PolarHBondContact O-N 3.2Å; W175-C179 PolarHBondContact O-SG 3.23Å; W175-L220 HydrophobicContact CH2-CD2 3.88Å; W175-L232 HydrophobicContact CZ3-CB 4.46Å; W175-Y236 HydrophobicContact CB-CD1 4.19Å; W175-Y236 HydrophobicContact CB-CE1 4Å; W175-Y236 AromaticContact CD1-CE2 3.89Å; W175-Y236 AromaticContact CD1-CZ 3.74Å; W175-Y236 AromaticContact CD2-CD1 3.97Å; W175-Y236 HydrophobicContact CD2-CD1 3.97Å; W175-Y236 AromaticContact CD2-CD2 3.88Å; W175-Y236 HydrophobicContact CD2-CD2 3.88Å; W175-Y236 HydrophobicContact CD2-CE1 4.28Å; W175-Y236 HydrophobicContact CD2-CE2 4.22Å; W175-Y236 AromaticContact CD2-CG 3.75Å; W175-Y236 HydrophobicContact CD2-CG 3.75Å; W175-Y236 AromaticContact CE2-CD2 3.67Å; W175-Y236 AromaticContact CE2-CE2 3.92Å; W175-Y236 HydrophobicContact CE3-CD1 4.16Å; W175-Y236 HydrophobicContact CE3-CD2 4.29Å; W175-Y236 AromaticContact CE3-CG 3.81Å; W175-Y236 HydrophobicContact CE3-CG 3.81Å; W175-Y236 AromaticContact CG-CD1 3.97Å; W175-Y236 HydrophobicContact CG-CD1 3.97Å; W175-Y236 HydrophobicContact CG-CD2 4.32Å; W175-Y236 AromaticContact CG-CE1 3.85Å; W175-Y236 HydrophobicContact CG-CE1 3.85Å; W175-Y236 HydrophobicContact CG-CE2 4.23Å; W175-Y236 HydrophobicContact CG-CG 4.2Å; W175-Y236 AromaticContact CG-CZ 3.98Å; W175-Y236 HydrophobicContact CH2-CD2 4.36Å; W175-Y236 HydrophobicContact CH2-CG 4.45Å; W175-Y236 AromaticContact CZ2-CD2 3.94Å; W175-Y236 HydrophobicContact CZ2-CD2 3.94Å; W175-Y236 HydrophobicContact CZ2-CG 4.39Å; W175-Y236 HydrophobicContact CZ3-CG 4.17Å; W175-Y236 AromaticContact NE1-CD2 3.95Å; W175-Y236 AromaticContact NE1-CE2 3.69Å
176	V	96.3	Very high	93.2	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-48.5	178.1	173.7	0	0	0	0	111.2	P172 D173 S178 C179 R180 D229 L232 K233	P172-V176 WeakPolarHBondContact O-CG2 3.33Å; P172-V176 PolarHBondContact O-N 2.92Å; D173-V176 PolarHBondContact O-N 3.21Å; V176-S178 PolarHBondContact O-N 3.11Å; V176-C179 PolarHBondContact O-N 3.06Å; V176-C179 VanDerWaalsContact O-N 3.15Å; V176-R180 HydrophobicContact CG1-CG 4.18Å; V176-R180 WeakPolarHBondContact O-CG 3.38Å; V176-R180 PolarHBondContact O-N 3.05Å; V176-D229 HydrophobicContact CG1-CB 3.79Å; V176-L232 HydrophobicContact CG1-CB 4.48Å; V176-L232 HydrophobicContact CG1-CD1 4.49Å; V176-L232 HydrophobicContact CG2-CB 3.84Å; V176-K233 HydrophobicContact CG2-CB 4.49Å; V176-K233 HydrophobicContact CG2-CG 3.65Å
177	K	94.1	Very high	92.1	Very high	108 Å²	108	38.4 Å²	38.4	47%	0.47	20%	0.198	S	C	.	.	H	α-helix	trans	-56.6	-40.3	176.1	-71.1	168.7	-167.1	159.4	0	111.9	D173 D174 W175 A181	D173-K177 VanDerWaalsContact O-CG 3.28Å; D173-K177 WeakPolarHBondContact O-CG 3.45Å; D173-K177 PolarHBondContact O-N 2.96Å; D174-K177 IonicContact OD1-NZ 2.65Å; W175-K177 PolarHBondContact O-N 3.23Å; K177-A181 WeakPolarHBondContact O-CB 3.36Å; K177-A181 PolarHBondContact O-N 3.11Å
178	S	93	Very high	91.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-47.7	177.1	-165.8	0	0	0	0	111.4	R80 D174 W175 V176 A181 T182	R80-S178 PolarHBondContact NE-OG 3.2Å; R80-S178 PolarHBondContact NH2-OG 3.49Å; R80-S178 VanDerWaalsContact NH2-OG 3.1Å; D174-S178 WeakPolarHBondContact O-CB 3.33Å; D174-S178 PolarHBondContact O-N 3.03Å; W175-S178 WeakPolarHBondContact O-CB 3.28Å; W175-S178 PolarHBondContact O-N 3.32Å; W175-S178 VanDerWaalsContact O-N 3.17Å; V176-S178 PolarHBondContact O-N 3.11Å; S178-A181 PolarHBondContact O-N 2.96Å; S178-T182 PolarHBondContact O-N 3.45Å; S178-T182 PolarHBondContact O-OG1 2.59Å
179	C	93.3	Very high	90	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-52.7	177.3	-77.2	0	0	0	0	111.8	W175 V176 A181 T182 T183 L184	W175-C179 VanDerWaalsContact CZ2-SG 3.53Å; W175-C179 WeakPolarHBondContact O-CB 3.31Å; W175-C179 PolarHBondContact O-N 3.2Å; W175-C179 PolarHBondContact O-SG 3.23Å; V176-C179 PolarHBondContact O-N 3.06Å; V176-C179 VanDerWaalsContact O-N 3.15Å; C179-A181 PolarHBondContact O-N 2.87Å; C179-T182 CarbonylContact O-C 3.53Å; C179-T182 PolarHBondContact O-N 2.92Å; C179-T183 PolarHBondContact O-N 3.27Å; C179-T183 VanDerWaalsContact O-N 3.16Å; C179-L184 HydrophobicContact CB-CB 4.11Å; C179-L184 HydrophobicContact CB-CD1 3.83Å; C179-L184 HydrophobicContact CB-CG 3.87Å; C179-L184 CarbonylContact O-C 3.44Å; C179-L184 WeakPolarHBondContact O-CA 3.17Å; C179-L184 WeakPolarHBondContact O-CB 3.44Å; C179-L184 PolarHBondContact O-N 3.41Å
180	R	91.7	Very high	89.3	Confident	58 Å²	58	45.4 Å²	45.4	22%	0.219	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-36.8	179.8	-68.5	-62.9	-165.8	-167.9	1.3	113.2	V176 T182 S185 A227 D229 L232	V176-R180 HydrophobicContact CG1-CG 4.18Å; V176-R180 WeakPolarHBondContact O-CG 3.38Å; V176-R180 PolarHBondContact O-N 3.05Å; R180-T182 VanDerWaalsContact C-N 3.29Å; R180-T182 PolarHBondContact O-N 3.31Å; R180-S185 WeakPolarHBondContact O-CA 3.08Å; R180-S185 WeakPolarHBondContact O-CB 3.31Å; R180-A227 PolarHBondContact NH2-O 3.02Å; R180-D229 IonicContact CZ-OD1 3.33Å; R180-D229 IonicContact NE-OD1 2.97Å; R180-D229 PolarHBondContact NE-OD1 3.2Å; R180-D229 IonicContact NH2-OD1 2.59Å; R180-D229 PolarHBondContact NH2-OD1 3.01Å; R180-L232 VanDerWaalsContact CZ-CD1 3.43Å
181	A	89.5	Confident	88.8	Confident	37 Å²	37	48 Å²	48	31%	0.306	24%	0.237	S	C	.	.	H	α-helix	trans	-76	-15.8	179	0	0	0	0	0	113.6	K177 S178 C179 R285	K177-A181 WeakPolarHBondContact O-CB 3.36Å; K177-A181 PolarHBondContact O-N 3.11Å; S178-A181 PolarHBondContact O-N 2.96Å; C179-A181 PolarHBondContact O-N 2.87Å; A181-R285 HydrophobicContact CB-CG 3.89Å
182	T	88.1	Confident	88.5	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	-89.5	-171.9	65.5	0	0	0	0	113.2	R80 S178 C179 R180 L184 S185 L188 R285 M288 I289	R80-T182 WeakPolarHBondContact CD-OG1 3.31Å; R80-T182 PolarHBondContact NE-OG1 3.25Å; S178-T182 PolarHBondContact O-N 3.45Å; S178-T182 PolarHBondContact O-OG1 2.59Å; C179-T182 CarbonylContact O-C 3.53Å; C179-T182 PolarHBondContact O-N 2.92Å; R180-T182 VanDerWaalsContact C-N 3.29Å; R180-T182 PolarHBondContact O-N 3.31Å; T182-L184 VanDerWaalsContact C-N 3.34Å; T182-L184 PolarHBondContact O-N 3.33Å; T182-S185 WeakPolarHBondContact O-CB 3.46Å; T182-S185 PolarHBondContact O-N 2.99Å; T182-S185 PolarHBondContact O-OG 3.04Å; T182-L188 VanDerWaalsContact O-CD1 3.24Å; T182-L188 WeakPolarHBondContact O-CD1 3.31Å; T182-R285 HydrophobicContact CG2-CG 3.87Å; T182-M288 WeakPolarHBondContact CB-SD 3.46Å; T182-M288 HydrophobicContact CG2-CB 3.89Å; T182-M288 HydrophobicContact CG2-CG 3.86Å; T182-M288 HydrophobicContact CG2-SD 3.79Å; T182-M288 PolarHBondContact OG1-SD 3.42Å; T182-I289 HydrophobicContact CG2-CG1 4.04Å
183	T	86.4	Confident	88.2	Confident	21 Å²	21	45.9 Å²	45.9	13%	0.129	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-31.1	-169.7	47.4	0	0	0	0	112.8	M79 R80 C179 M288	M79-T183 HydrophobicContact CB-CG2 4.44Å; M79-T183 HydrophobicContact SD-CG2 4.1Å; M79-T183 PolarHBondContact SD-OG1 3.3Å; R80-T183 HydrophobicContact CG-CG2 4.32Å; C179-T183 PolarHBondContact O-N 3.27Å; C179-T183 VanDerWaalsContact O-N 3.16Å; T183-M288 HydrophobicContact CG2-CE 4.12Å; T183-M288 HydrophobicContact CG2-SD 3.96Å
184	L	87.3	Confident	88.1	Confident	3 Å²	3	47 Å²	47	2%	0.016	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	28.3	177.9	-58.9	-167.4	0	0	0	112.3	M79 C179 T182 Y189 F216 L220 L232	M79-L184 HydrophobicContact CE-CD1 4.03Å; M79-L184 HydrophobicContact CE-CD2 3.59Å; M79-L184 HydrophobicContact CE-CG 3.86Å; M79-L184 HydrophobicContact SD-CD2 4.47Å; C179-L184 HydrophobicContact CB-CB 4.11Å; C179-L184 HydrophobicContact CB-CD1 3.83Å; C179-L184 HydrophobicContact CB-CG 3.87Å; C179-L184 CarbonylContact O-C 3.44Å; C179-L184 WeakPolarHBondContact O-CA 3.17Å; C179-L184 WeakPolarHBondContact O-CB 3.44Å; C179-L184 PolarHBondContact O-N 3.41Å; T182-L184 VanDerWaalsContact C-N 3.34Å; T182-L184 PolarHBondContact O-N 3.33Å; L184-Y189 VanDerWaalsContact C-CE2 3.43Å; L184-Y189 VanDerWaalsContact CA-OH 3.25Å; L184-Y189 WeakPolarHBondContact CA-OH 3.3Å; L184-Y189 HydrophobicContact CB-CE1 4.43Å; L184-Y189 HydrophobicContact CB-CE2 4.12Å; L184-Y189 WeakPolarHBondContact CB-OH 3.46Å; L184-Y189 HydrophobicContact CD2-CE1 3.84Å; L184-Y189 WeakPolarHBondContact CD2-OH 3.49Å; L184-Y189 WeakPolarHBondContact CG-OH 3.37Å; L184-Y189 WeakPolarHBondContact O-CE2 3.47Å; L184-F216 HydrophobicContact CD2-CD2 3.72Å; L184-F216 HydrophobicContact CD2-CE1 4.43Å; L184-F216 HydrophobicContact CD2-CE2 3.59Å; L184-F216 HydrophobicContact CD2-CG 4.2Å; L184-F216 HydrophobicContact CD2-CZ 3.98Å; L184-L220 HydrophobicContact CD1-CD1 3.84Å; L184-L220 HydrophobicContact CD2-CD1 4.2Å; L184-L232 HydrophobicContact CD1-CD1 4.17Å; L184-L232 HydrophobicContact CD1-CD2 4.05Å
185	S	86.1	Confident	88	Confident	19 Å²	19	43.7 Å²	43.7	13%	0.133	22%	0.217	C	C	.	.			trans	-80.9	149.4	174.5	66.2	0	0	0	0	111.6	R180 T182 T187 L188 Y189	R180-S185 WeakPolarHBondContact O-CA 3.08Å; R180-S185 WeakPolarHBondContact O-CB 3.31Å; T182-S185 WeakPolarHBondContact O-CB 3.46Å; T182-S185 PolarHBondContact O-N 2.99Å; T182-S185 PolarHBondContact O-OG 3.04Å; S185-T187 PolarHBondContact O-N 3.27Å; S185-T187 VanDerWaalsContact O-N 3.12Å; S185-L188 PolarHBondContact O-N 2.88Å; S185-Y189 WeakPolarHBondContact O-CD2 3.41Å; S185-Y189 PolarHBondContact O-N 3.1Å
186	E	76.2	Confident	87.9	Confident	92 Å²	92	45.1 Å²	45.1	43%	0.43	23%	0.225	S	C	.	.	H	α-helix	trans	-54.6	-35.6	178.6	-162.8	-169.9	165.9	0	0	112.3	L188 Y189 R190	E186-L188 PolarHBondContact O-N 2.95Å; E186-Y189 PolarHBondContact O-N 3.23Å; E186-R190 HydrophobicContact CG-CG 4.27Å; E186-R190 VanDerWaalsContact O-CG 3.3Å; E186-R190 WeakPolarHBondContact O-CG 3.48Å; E186-R190 PolarHBondContact O-N 3.39Å; E186-R190 IonicContact OE1-CZ 3.19Å; E186-R190 IonicContact OE1-NE 3.74Å; E186-R190 PolarHBondContact OE1-NE 3.01Å; E186-R190 IonicContact OE1-NH2 3.98Å; E186-R190 PolarHBondContact OE1-NH2 3.49Å; E186-R190 IonicContact OE2-NH2 2.92Å; E186-R190 PolarHBondContact OE2-NH2 3.45Å
187	T	75.6	Confident	87.8	Confident	70 Å²	70	52 Å²	52	43%	0.429	25%	0.25	S	S	.	.	H	α-helix	trans	-59.1	-29.9	177	-59.5	0	0	0	0	113.8	S185 Q296	S185-T187 PolarHBondContact O-N 3.27Å; S185-T187 VanDerWaalsContact O-N 3.12Å; T187-Q296 PolarHBondContact O-NE2 3.34Å; T187-Q296 VanDerWaalsContact O-NE2 3.14Å
188	L	79	Confident	87.9	Confident	39 Å²	39	50.1 Å²	50.1	20%	0.204	25%	0.245	C	C	.	.	H	α-helix	trans	-91.5	-25.2	176.6	-71.7	-175.2	0	0	0	113.1	T182 S185 E186 H209 I292	T182-L188 VanDerWaalsContact O-CD1 3.24Å; T182-L188 WeakPolarHBondContact O-CD1 3.31Å; S185-L188 PolarHBondContact O-N 2.88Å; E186-L188 PolarHBondContact O-N 2.95Å; L188-H209 PolarHBondContact O-CD2 3.15Å; L188-I292 HydrophobicContact CD1-CD1 3.84Å; L188-I292 HydrophobicContact CD1-CG1 4.31Å; L188-I292 HydrophobicContact CD2-CG1 4.45Å; L188-I292 HydrophobicContact CD2-CG2 3.81Å; L188-I292 HydrophobicContact CG-CD1 4.41Å; L188-I292 HydrophobicContact CG-CG2 4.31Å
189	Y	76.1	Confident	88	Confident	29 Å²	29	51.9 Å²	51.9	11%	0.114	25%	0.253	C	S	.	.	H	α-helix	trans	-80.5	-34.9	179.4	-63.3	-36.3	0	0	0	114.1	L184 S185 E186 K191 H209 F216 F224	L184-Y189 VanDerWaalsContact C-CE2 3.43Å; L184-Y189 VanDerWaalsContact CA-OH 3.25Å; L184-Y189 WeakPolarHBondContact CA-OH 3.3Å; L184-Y189 HydrophobicContact CB-CE1 4.43Å; L184-Y189 HydrophobicContact CB-CE2 4.12Å; L184-Y189 WeakPolarHBondContact CB-OH 3.46Å; L184-Y189 HydrophobicContact CD2-CE1 3.84Å; L184-Y189 WeakPolarHBondContact CD2-OH 3.49Å; L184-Y189 WeakPolarHBondContact CG-OH 3.37Å; L184-Y189 WeakPolarHBondContact O-CE2 3.47Å; S185-Y189 WeakPolarHBondContact O-CD2 3.41Å; S185-Y189 PolarHBondContact O-N 3.1Å; E186-Y189 PolarHBondContact O-N 3.23Å; Y189-K191 PolarHBondContact O-N 3.35Å; Y189-H209 PolarHBondContact O-NE2 3.47Å; Y189-H209 VanDerWaalsContact O-NE2 3.15Å; Y189-F216 HydrophobicContact CE1-CD2 4.17Å; Y189-F216 HydrophobicContact CE1-CE2 4.21Å; Y189-F224 HydrophobicContact CD1-CE2 4.13Å; Y189-F224 HydrophobicContact CE1-CD2 4.27Å; Y189-F224 AromaticContact CE1-CE2 3.43Å; Y189-F224 HydrophobicContact CE1-CE2 3.43Å; Y189-F224 VanDerWaalsContact CE1-CE2 3.43Å; Y189-F224 HydrophobicContact CE1-CZ 4.31Å; Y189-F224 AromaticContact CZ-CE2 3.68Å; Y189-F224 WeakPolarHBondContact OH-CD2 3.49Å; Y189-F224 WeakPolarHBondContact OH-CE2 3.48Å
190	R	82.1	Confident	88.1	Confident	133 Å²	133	53.2 Å²	53.2	50%	0.502	26%	0.26	S	S	.	.	S	Bend	trans	-51.7	137.8	179.3	-78.6	172.8	179.7	-175.3	3	110.3	E186 H209	E186-R190 HydrophobicContact CG-CG 4.27Å; E186-R190 VanDerWaalsContact O-CG 3.3Å; E186-R190 WeakPolarHBondContact O-CG 3.48Å; E186-R190 PolarHBondContact O-N 3.39Å; E186-R190 IonicContact OE1-CZ 3.19Å; E186-R190 IonicContact OE1-NE 3.74Å; E186-R190 PolarHBondContact OE1-NE 3.01Å; E186-R190 IonicContact OE1-NH2 3.98Å; E186-R190 PolarHBondContact OE1-NH2 3.49Å; E186-R190 IonicContact OE2-NH2 2.92Å; E186-R190 PolarHBondContact OE2-NH2 3.45Å; R190-H209 PolarHBondContact O-NE2 2.96Å
191	K	86	Confident	88.3	Confident	142 Å²	142	59.7 Å²	59.7	62%	0.617	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-52.7	130.6	175.7	-70.9	-175.7	-179.3	179.1	0	108.6	F12 Y189 S193	F12-K191 HydrophobicContact CE1-CD 4.5Å; F12-K191 HydrophobicContact CE1-CG 4.14Å; Y189-K191 PolarHBondContact O-N 3.35Å; K191-S193 PolarHBondContact O-N 2.95Å
192	P	90.7	Very high	88.6	Confident	40 Å²	40	64.2 Å²	64.2	26%	0.26	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-55.1	133.1	-179	-26.6	34.2	0	0	0	111.1	D196 R197 H209	P192-D196 HydrophobicContact CB-CB 3.95Å; P192-R197 HydrophobicContact CB-CG 4Å; P192-H209 HydrophobicContact CG-CB 3.75Å
193	S	92.6	Very high	88.8	Confident	35 Å²	35	66.4 Å²	66.4	25%	0.245	32%	0.316	C	S	.	.			trans	-67	174	176.9	86.2	0	0	0	0	111.3	K191 G195 D196 R197 N303	K191-S193 PolarHBondContact O-N 2.95Å; S193-G195 VanDerWaalsContact C-N 3.35Å; S193-G195 PolarHBondContact O-N 2.83Å; S193-G195 PolarHBondContact OG-N 3.13Å; S193-D196 PolarHBondContact N-OD2 3.5Å; S193-D196 VanDerWaalsContact N-OD2 3.09Å; S193-D196 PolarHBondContact O-N 3.03Å; S193-D196 PolarHBondContact OG-N 3.3Å; S193-D196 VanDerWaalsContact OG-N 3.1Å; S193-D196 PolarHBondContact OG-OD2 2.81Å; S193-R197 WeakPolarHBondContact O-CG 3.25Å; S193-R197 PolarHBondContact O-N 3.46Å; S193-N303 WeakPolarHBondContact CB-OD1 3.43Å; S193-N303 PolarHBondContact OG-ND2 2.92Å; S193-N303 PolarHBondContact OG-OD1 3.47Å
194	L	93.8	Very high	89.3	Confident	87 Å²	87	66.2 Å²	66.2	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-57.2	-46.7	171.6	179.2	56.9	0	0	0	112.3	D196 R197 I198 L306	L194-D196 PolarHBondContact O-N 3.06Å; L194-R197 PolarHBondContact O-N 2.93Å; L194-I198 HydrophobicContact CD1-CD1 4.09Å; L194-I198 HydrophobicContact CD1-CG1 4.32Å; L194-I198 HydrophobicContact CG-CD1 4.05Å; L194-I198 WeakPolarHBondContact O-CG1 2.85Å; L194-I198 PolarHBondContact O-N 3.22Å; L194-L306 HydrophobicContact CD2-CD1 3.77Å; L194-L306 HydrophobicContact CG-CD1 4.04Å
195	G	94.6	Very high	89.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-40	175.7	0	0	0	0	0	113.5	S193 I198 M199 N303	S193-G195 VanDerWaalsContact C-N 3.35Å; S193-G195 PolarHBondContact O-N 2.83Å; S193-G195 PolarHBondContact OG-N 3.13Å; G195-I198 PolarHBondContact O-N 3.5Å; G195-M199 WeakPolarHBondContact O-CB 3.46Å; G195-M199 PolarHBondContact O-N 3.19Å; G195-N303 VanDerWaalsContact CA-OD1 3.31Å; G195-N303 WeakPolarHBondContact CA-OD1 3.4Å; G195-N303 PolarHBondContact N-OD1 3.5Å
196	D	93	Very high	90.1	Very high	31 Å²	31	69.2 Å²	69.2	17%	0.166	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-42.1	175.7	-59.6	-33	0	0	0	111.2	P192 S193 L194 I198 M199 N200	P192-D196 HydrophobicContact CB-CB 3.95Å; S193-D196 PolarHBondContact N-OD2 3.5Å; S193-D196 VanDerWaalsContact N-OD2 3.09Å; S193-D196 PolarHBondContact O-N 3.03Å; S193-D196 PolarHBondContact OG-N 3.3Å; S193-D196 VanDerWaalsContact OG-N 3.1Å; S193-D196 PolarHBondContact OG-OD2 2.81Å; L194-D196 PolarHBondContact O-N 3.06Å; D196-I198 PolarHBondContact O-N 3.49Å; D196-M199 PolarHBondContact O-N 3.38Å; D196-N200 WeakPolarHBondContact O-CB 3.18Å; D196-N200 PolarHBondContact O-N 2.95Å; D196-N200 PolarHBondContact O-ND2 3.05Å
197	R	95.3	Very high	91.1	Very high	147 Å²	147	66.1 Å²	66.1	56%	0.555	32%	0.319	S	S	*	.	H	α-helix	trans	-62.1	-43	176.4	-71.7	-175.8	-61.7	171.4	1.8	112.3	P192 S193 L194 R201	P192-R197 HydrophobicContact CB-CG 4Å; S193-R197 WeakPolarHBondContact O-CG 3.25Å; S193-R197 PolarHBondContact O-N 3.46Å; L194-R197 PolarHBondContact O-N 2.93Å; R197-R201 WeakPolarHBondContact O-CB 2.96Å; R197-R201 PolarHBondContact O-N 3.2Å
198	I	95.4	Very high	92	Very high	68 Å²	68	63.3 Å²	63.3	35%	0.349	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-52.2	175.8	-68.4	165.3	0	0	0	109.4	L194 G195 D196 N200 R201 L202 I302	L194-I198 HydrophobicContact CD1-CD1 4.09Å; L194-I198 HydrophobicContact CD1-CG1 4.32Å; L194-I198 HydrophobicContact CG-CD1 4.05Å; L194-I198 WeakPolarHBondContact O-CG1 2.85Å; L194-I198 PolarHBondContact O-N 3.22Å; G195-I198 PolarHBondContact O-N 3.5Å; D196-I198 PolarHBondContact O-N 3.49Å; I198-N200 PolarHBondContact O-N 3.4Å; I198-R201 PolarHBondContact O-N 3.47Å; I198-L202 HydrophobicContact CG2-CD1 4.17Å; I198-L202 WeakPolarHBondContact O-CG 3.47Å; I198-L202 PolarHBondContact O-N 3.31Å; I198-L202 VanDerWaalsContact O-N 3.08Å; I198-I302 HydrophobicContact CB-CD1 4.47Å; I198-I302 HydrophobicContact CD1-CG2 4.12Å; I198-I302 HydrophobicContact CG2-CD1 4.13Å
199	M	95.2	Very high	92.7	Very high	38 Å²	38	63.8 Å²	63.8	19%	0.187	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-49.1	-178.5	-170.1	65.7	-119	0	0	111.6	G195 D196 R201 L202 V203 P298 I302	G195-M199 WeakPolarHBondContact O-CB 3.46Å; G195-M199 PolarHBondContact O-N 3.19Å; D196-M199 PolarHBondContact O-N 3.38Å; M199-R201 VanDerWaalsContact C-N 3.27Å; M199-R201 PolarHBondContact O-N 2.76Å; M199-L202 HydrophobicContact CE-CB 4.07Å; M199-L202 WeakPolarHBondContact O-CB 3.09Å; M199-L202 PolarHBondContact O-N 3.46Å; M199-V203 HydrophobicContact CE-CB 4.43Å; M199-V203 HydrophobicContact CE-CG1 3.33Å; M199-V203 HydrophobicContact CE-CG2 4.48Å; M199-V203 WeakPolarHBondContact O-CG2 3.31Å; M199-V203 PolarHBondContact O-N 2.86Å; M199-P298 HydrophobicContact CG-CB 3.91Å; M199-P298 HydrophobicContact SD-CB 3.5Å; M199-P298 VanDerWaalsContact SD-CB 3.5Å; M199-P298 HydrophobicContact SD-CG 4.23Å; M199-I302 HydrophobicContact CB-CD1 4.4Å
200	N	94.8	Very high	93.6	Very high	28 Å²	28	68 Å²	68	15%	0.15	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-40.4	179.4	-72.2	-12.7	0	0	0	111.3	D196 I198 L202 V203 G204 L205 Q206	D196-N200 WeakPolarHBondContact O-CB 3.18Å; D196-N200 PolarHBondContact O-N 2.95Å; D196-N200 PolarHBondContact O-ND2 3.05Å; I198-N200 PolarHBondContact O-N 3.4Å; N200-L202 PolarHBondContact O-N 3Å; N200-V203 CarbonylContact O-C 3.48Å; N200-V203 PolarHBondContact O-N 3.43Å; N200-G204 PolarHBondContact O-N 2.92Å; N200-L205 HydrophobicContact CB-CB 4.34Å; N200-L205 PolarHBondContact O-N 2.96Å; N200-Q206 PolarHBondContact O-N 3.36Å
201	R	96.1	Very high	94.3	Very high	195 Å²	195	61.7 Å²	61.7	74%	0.736	30%	0.298	S	S	*	.	H	α-helix	trans	-63	-40.3	174.2	-173.7	172.2	-177.2	158	0.9	112.6	R197 I198 M199 V203 G204 Q206	R197-R201 WeakPolarHBondContact O-CB 2.96Å; R197-R201 PolarHBondContact O-N 3.2Å; I198-R201 PolarHBondContact O-N 3.47Å; M199-R201 VanDerWaalsContact C-N 3.27Å; M199-R201 PolarHBondContact O-N 2.76Å; R201-V203 VanDerWaalsContact C-N 3.33Å; R201-V203 PolarHBondContact O-N 3.25Å; R201-G204 PolarHBondContact O-N 2.93Å; R201-Q206 HydrophobicContact CB-CB 4.33Å
202	L	95.5	Very high	94.7	Very high	132 Å²	132	57 Å²	57	69%	0.691	28%	0.278	S	S	*	.	H	α-helix	trans	-66	-33.9	178.2	-68.7	172.9	0	0	0	112.8	I198 M199 N200	I198-L202 HydrophobicContact CG2-CD1 4.17Å; I198-L202 WeakPolarHBondContact O-CG 3.47Å; I198-L202 PolarHBondContact O-N 3.31Å; I198-L202 VanDerWaalsContact O-N 3.08Å; M199-L202 HydrophobicContact CE-CB 4.07Å; M199-L202 WeakPolarHBondContact O-CB 3.09Å; M199-L202 PolarHBondContact O-N 3.46Å; N200-L202 PolarHBondContact O-N 3Å
203	V	94.1	Very high	94.8	Very high	45 Å²	45	58 Å²	58	27%	0.273	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	8.6	177.4	-66.1	0	0	0	0	114	R109 M199 N200 R201 L205	R109-V203 VanDerWaalsContact CD-O 3.29Å; R109-V203 WeakPolarHBondContact CD-O 3.39Å; M199-V203 HydrophobicContact CE-CB 4.43Å; M199-V203 HydrophobicContact CE-CG1 3.33Å; M199-V203 HydrophobicContact CE-CG2 4.48Å; M199-V203 WeakPolarHBondContact O-CG2 3.31Å; M199-V203 PolarHBondContact O-N 2.86Å; N200-V203 CarbonylContact O-C 3.48Å; N200-V203 PolarHBondContact O-N 3.43Å; R201-V203 VanDerWaalsContact C-N 3.33Å; R201-V203 PolarHBondContact O-N 3.25Å; V203-L205 HydrophobicContact CG2-CB 4.14Å; V203-L205 HydrophobicContact CG2-CD1 3.83Å; V203-L205 HydrophobicContact CG2-CG 3.94Å
204	G	95.5	Very high	95	Very high	18 Å²	18	59.1 Å²	59.1	19%	0.186	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	35.3	179.5	0	0	0	0	0	114	R109 E110 N200 R201	R109-G204 WeakPolarHBondContact CB-O 3.29Å; E110-G204 WeakPolarHBondContact CA-O 3.15Å; E110-G204 VanDerWaalsContact CB-O 3.24Å; E110-G204 WeakPolarHBondContact CB-O 3.48Å; E110-G204 PolarHBondContact N-O 3.21Å; N200-G204 PolarHBondContact O-N 2.92Å; R201-G204 PolarHBondContact O-N 2.93Å
205	L	95.5	Very high	95.1	Very high	3 Å²	3	55 Å²	55	2%	0.016	25%	0.254	C	S	.	.			trans	-121.1	18.7	177.9	-62.1	178.8	0	0	0	111.9	V105 R109 I113 N200 V203 S207 L208 L295	V105-L205 HydrophobicContact CG1-CD1 4.09Å; V105-L205 HydrophobicContact CG1-CD2 4.39Å; R109-L205 HydrophobicContact CB-CD2 4.17Å; R109-L205 HydrophobicContact CG-CD2 4Å; I113-L205 HydrophobicContact CD1-CD2 3.8Å; N200-L205 HydrophobicContact CB-CB 4.34Å; N200-L205 PolarHBondContact O-N 2.96Å; V203-L205 HydrophobicContact CG2-CB 4.14Å; V203-L205 HydrophobicContact CG2-CD1 3.83Å; V203-L205 HydrophobicContact CG2-CG 3.94Å; L205-S207 PolarHBondContact O-N 3.4Å; L205-S207 VanDerWaalsContact O-N 3.16Å; L205-L208 HydrophobicContact CB-CB 4.08Å; L205-L208 HydrophobicContact CB-CD2 4.24Å; L205-L208 HydrophobicContact CD1-CD2 4.14Å; L205-L208 HydrophobicContact CD2-CD2 4.22Å; L205-L208 HydrophobicContact CG-CD2 4.44Å; L205-L208 WeakPolarHBondContact O-CB 3.26Å; L205-L208 PolarHBondContact O-N 2.86Å; L205-L295 HydrophobicContact CD1-CD1 4.06Å
206	Q	95.4	Very high	95.1	Very high	82 Å²	82	55.5 Å²	55.5	38%	0.383	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.8	-174.6	61.9	-84.5	7.5	0	0	113.3	E110 N200 R201	E110-Q206 WeakPolarHBondContact OE1-CG 3.46Å; E110-Q206 PolarHBondContact OE1-NE2 3.03Å; N200-Q206 PolarHBondContact O-N 3.36Å; R201-Q206 HydrophobicContact CB-CB 4.33Å
207	S	96.4	Very high	95.2	Very high	27 Å²	27	56.4 Å²	56.4	19%	0.189	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	1.6	179.2	-58.9	0	0	0	0	113.4	E110 L205 H209 K210 L211	E110-S207 VanDerWaalsContact OE1-CB 3.31Å; E110-S207 WeakPolarHBondContact OE1-CB 3.3Å; E110-S207 PolarHBondContact OE1-OG 3.03Å; E110-S207 WeakPolarHBondContact OE2-CB 3.28Å; E110-S207 PolarHBondContact OE2-N 2.97Å; E110-S207 VanDerWaalsContact OE2-N 3.15Å; L205-S207 PolarHBondContact O-N 3.4Å; L205-S207 VanDerWaalsContact O-N 3.16Å; S207-H209 PolarHBondContact O-N 2.83Å; S207-K210 WeakPolarHBondContact O-CB 3.22Å; S207-K210 PolarHBondContact O-N 3.31Å; S207-L211 PolarHBondContact O-N 3.27Å
208	L	94.4	Very high	95.2	Very high	11 Å²	11	51.8 Å²	51.8	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-42.8	-173.3	-178.4	62.9	0	0	0	113	M101 V105 I113 L205 K210 L211 H212	M101-L208 HydrophobicContact CE-CD1 3.35Å; V105-L208 HydrophobicContact CG1-CD2 4.41Å; V105-L208 HydrophobicContact CG2-CD1 3.86Å; V105-L208 HydrophobicContact CG2-CD2 4.12Å; I113-L208 HydrophobicContact CD1-CB 4.11Å; I113-L208 HydrophobicContact CD1-CD1 4.07Å; L205-L208 HydrophobicContact CB-CB 4.08Å; L205-L208 HydrophobicContact CB-CD2 4.24Å; L205-L208 HydrophobicContact CD1-CD2 4.14Å; L205-L208 HydrophobicContact CD2-CD2 4.22Å; L205-L208 HydrophobicContact CG-CD2 4.44Å; L205-L208 WeakPolarHBondContact O-CB 3.26Å; L205-L208 PolarHBondContact O-N 2.86Å; L208-K210 VanDerWaalsContact C-N 3.31Å; L208-K210 PolarHBondContact O-N 3.36Å; L208-L211 PolarHBondContact O-N 3.41Å; L208-H212 PolarHBondContact O-N 3.45Å
209	H	93.7	Very high	95.3	Very high	49 Å²	49	49 Å²	49	23%	0.227	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-42.8	177.9	176.9	-89.7	0	0	0	111.3	L188 Y189 R190 P192 S207 L211 H212 Y213	L188-H209 PolarHBondContact O-CD2 3.15Å; Y189-H209 PolarHBondContact O-NE2 3.47Å; Y189-H209 VanDerWaalsContact O-NE2 3.15Å; R190-H209 PolarHBondContact O-NE2 2.96Å; P192-H209 HydrophobicContact CG-CB 3.75Å; S207-H209 PolarHBondContact O-N 2.83Å; H209-L211 PolarHBondContact O-N 3.39Å; H209-H212 PolarHBondContact O-N 3.13Å; H209-Y213 PolarHBondContact O-N 2.96Å
210	K	95.6	Very high	95.3	Very high	117 Å²	117	47.6 Å²	47.6	51%	0.509	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-43.6	175.1	-170.9	179.3	178.3	177.9	0	111.3	L117 S207 L208 Y213 R214	L117-K210 HydrophobicContact CD1-CB 4.5Å; L117-K210 HydrophobicContact CD1-CD 4.17Å; L117-K210 HydrophobicContact CD1-CG 4.42Å; L117-K210 HydrophobicContact CD2-CB 4.41Å; L117-K210 HydrophobicContact CD2-CD 4.24Å; L117-K210 HydrophobicContact CD2-CG 3.9Å; S207-K210 WeakPolarHBondContact O-CB 3.22Å; S207-K210 PolarHBondContact O-N 3.31Å; L208-K210 VanDerWaalsContact C-N 3.31Å; L208-K210 PolarHBondContact O-N 3.36Å; K210-Y213 PolarHBondContact O-N 3.4Å; K210-R214 WeakPolarHBondContact O-CG 3.36Å; K210-R214 PolarHBondContact O-N 3.47Å
211	L	96.3	Very high	95.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-48.4	178	177.6	62.9	0	0	0	112	M101 L104 I113 W116 L117 I120 P148 S207 L208 H209 Y213 R214 M215	M101-L211 HydrophobicContact CE-CD2 4.28Å; L104-L211 HydrophobicContact CD2-CD2 3.72Å; I113-L211 HydrophobicContact CB-CD2 4.23Å; I113-L211 HydrophobicContact CG1-CD2 4.08Å; I113-L211 HydrophobicContact CG2-CB 3.92Å; I113-L211 HydrophobicContact CG2-CD2 3.93Å; W116-L211 HydrophobicContact CB-CD1 3.73Å; W116-L211 HydrophobicContact CB-CD2 4.28Å; L117-L211 HydrophobicContact CD2-CB 4.17Å; L117-L211 HydrophobicContact CD2-CD1 4.27Å; L117-L211 HydrophobicContact CG-CB 4.24Å; L117-L211 HydrophobicContact CG-CD1 4.26Å; I120-L211 HydrophobicContact CD1-CD1 3.69Å; P148-L211 HydrophobicContact CG-CD2 4.38Å; S207-L211 PolarHBondContact O-N 3.27Å; L208-L211 PolarHBondContact O-N 3.41Å; H209-L211 PolarHBondContact O-N 3.39Å; L211-Y213 VanDerWaalsContact C-N 3.29Å; L211-Y213 PolarHBondContact O-N 3.46Å; L211-R214 PolarHBondContact O-N 3.25Å; L211-M215 HydrophobicContact CD1-CG 3.87Å; L211-M215 HydrophobicContact CD1-SD 3.93Å; L211-M215 HydrophobicContact CD2-CE 4.46Å; L211-M215 HydrophobicContact CD2-SD 4.41Å; L211-M215 HydrophobicContact CG-CE 3.89Å; L211-M215 HydrophobicContact CG-CG 4.27Å; L211-M215 HydrophobicContact CG-SD 3.9Å; L211-M215 VanDerWaalsContact O-CG 3.3Å; L211-M215 WeakPolarHBondContact O-CG 3.34Å; L211-M215 PolarHBondContact O-N 3Å
212	H	94.3	Very high	95.1	Very high	44 Å²	44	46.8 Å²	46.8	20%	0.204	23%	0.229	C	C	.	.	H	α-helix	trans	-53.9	-47.9	175.1	-72	156.9	0	0	0	111.7	M101 L208 H209 R214 M215 F216	M101-H212 WeakPolarHBondContact CE-NE2 3.47Å; L208-H212 PolarHBondContact O-N 3.45Å; H209-H212 PolarHBondContact O-N 3.13Å; H212-R214 PolarHBondContact O-N 2.94Å; H212-M215 PolarHBondContact O-N 3Å; H212-F216 HydrophobicContact CB-CE2 4.13Å; H212-F216 HydrophobicContact CB-CZ 4.38Å; H212-F216 WeakPolarHBondContact O-CB 3.4Å; H212-F216 VanDerWaalsContact O-CD2 3.29Å; H212-F216 WeakPolarHBondContact O-CD2 3.48Å; H212-F216 WeakPolarHBondContact O-CG 3.43Å; H212-F216 PolarHBondContact O-N 3.06Å
213	Y	94.2	Very high	94.8	Very high	61 Å²	61	44.1 Å²	44.1	24%	0.239	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-48.5	179	-168.4	-96.2	0	0	0	111.7	H209 K210 L211 F216 Q217 F224 Y225	H209-Y213 PolarHBondContact O-N 2.96Å; K210-Y213 PolarHBondContact O-N 3.4Å; L211-Y213 VanDerWaalsContact C-N 3.29Å; L211-Y213 PolarHBondContact O-N 3.46Å; Y213-F216 PolarHBondContact O-N 2.92Å; Y213-Q217 HydrophobicContact CD1-CG 4.17Å; Y213-Q217 HydrophobicContact CE1-CG 3.97Å; Y213-Q217 VanDerWaalsContact CE1-NE2 3.29Å; Y213-Q217 WeakPolarHBondContact O-CG 3.31Å; Y213-Q217 PolarHBondContact O-N 2.92Å; Y213-F224 AromaticContact CD2-CE1 4Å; Y213-F224 HydrophobicContact CD2-CE1 4Å; Y213-F224 AromaticContact CD2-CZ 3.71Å; Y213-F224 HydrophobicContact CD2-CZ 3.71Å; Y213-F224 AromaticContact CE2-CE1 3.93Å; Y213-F224 HydrophobicContact CE2-CE1 3.93Å; Y213-F224 AromaticContact CE2-CZ 3.85Å; Y213-F224 HydrophobicContact CE2-CZ 3.85Å; Y213-F224 HydrophobicContact CG-CZ 4.5Å; Y213-Y225 HydrophobicContact CE2-CD1 4.32Å
214	R	95.6	Very high	94.7	Very high	59 Å²	59	42.1 Å²	42.1	22%	0.223	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-39.5	-179	-67.2	-56.2	-176.5	112.9	-5.3	113.2	L117 I120 E121 K210 L211 H212 Q217 Q218	L117-R214 HydrophobicContact CD2-CB 4.36Å; L117-R214 HydrophobicContact CD2-CG 4.05Å; I120-R214 HydrophobicContact CD1-CB 4.21Å; I120-R214 HydrophobicContact CG2-CB 4.07Å; E121-R214 IonicContact OE2-CZ 3.34Å; E121-R214 IonicContact OE2-NH1 2.86Å; E121-R214 PolarHBondContact OE2-NH1 2.76Å; K210-R214 WeakPolarHBondContact O-CG 3.36Å; K210-R214 PolarHBondContact O-N 3.47Å; L211-R214 PolarHBondContact O-N 3.25Å; H212-R214 PolarHBondContact O-N 2.94Å; R214-Q217 PolarHBondContact O-N 2.77Å; R214-Q218 PolarHBondContact O-N 3Å
215	M	95.8	Very high	94.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-43.2	175	-68.9	-177.2	-51.5	0	0	112	M101 I120 Y147 P148 L211 H212 Q217 Q218 T219	M101-M215 HydrophobicContact CE-CE 4.24Å; M101-M215 HydrophobicContact SD-CE 3.88Å; M101-M215 HydrophobicContact SD-SD 4.48Å; I120-M215 HydrophobicContact CD1-CG 3.64Å; Y147-M215 HydrophobicContact CD1-CB 3.77Å; Y147-M215 HydrophobicContact CD1-CE 4.49Å; Y147-M215 HydrophobicContact CD1-CG 4.21Å; Y147-M215 HydrophobicContact CD1-SD 3.91Å; Y147-M215 HydrophobicContact CE1-CB 4Å; Y147-M215 HydrophobicContact CG-CE 4.37Å; Y147-M215 HydrophobicContact CG-SD 4.14Å; P148-M215 HydrophobicContact CB-CG 4.21Å; P148-M215 HydrophobicContact CB-SD 3.43Å; P148-M215 WeakPolarHBondContact CB-SD 3.24Å; P148-M215 HydrophobicContact CG-SD 3.4Å; P148-M215 WeakPolarHBondContact CG-SD 3.38Å; L211-M215 HydrophobicContact CD1-CG 3.87Å; L211-M215 HydrophobicContact CD1-SD 3.93Å; L211-M215 HydrophobicContact CD2-CE 4.46Å; L211-M215 HydrophobicContact CD2-SD 4.41Å; L211-M215 HydrophobicContact CG-CE 3.89Å; L211-M215 HydrophobicContact CG-CG 4.27Å; L211-M215 HydrophobicContact CG-SD 3.9Å; L211-M215 VanDerWaalsContact O-CG 3.3Å; L211-M215 WeakPolarHBondContact O-CG 3.34Å; L211-M215 PolarHBondContact O-N 3Å; H212-M215 PolarHBondContact O-N 3Å; M215-Q217 VanDerWaalsContact C-N 3.33Å; M215-Q217 PolarHBondContact O-N 3.19Å; M215-Q218 WeakPolarHBondContact O-CB 3.34Å; M215-Q218 PolarHBondContact O-N 3.13Å; M215-T219 PolarHBondContact O-N 2.99Å; M215-T219 VanDerWaalsContact O-N 3.08Å; M215-T219 PolarHBondContact O-OG1 3.35Å
216	F	95.4	Very high	94	Very high	9 Å²	9	50.9 Å²	50.9	4%	0.039	24%	0.24	C	C	.	.	H	α-helix	trans	-68.6	-33.6	178	-60.8	-19.8	0	0	0	111.9	M79 Y147 L184 Y189 H212 Y213 Q218 L220 G221 F224	M79-F216 HydrophobicContact CE-CD1 4.04Å; M79-F216 HydrophobicContact CE-CE1 3.76Å; M79-F216 HydrophobicContact CE-CZ 4.27Å; M79-F216 HydrophobicContact SD-CD1 4.15Å; M79-F216 HydrophobicContact SD-CE1 3.31Å; M79-F216 WeakPolarHBondContact SD-CE1 3.4Å; M79-F216 HydrophobicContact SD-CZ 3.72Å; Y147-F216 HydrophobicContact CE2-CD1 4.49Å; Y147-F216 HydrophobicContact CE2-CE1 4.18Å; L184-F216 HydrophobicContact CD2-CD2 3.72Å; L184-F216 HydrophobicContact CD2-CE1 4.43Å; L184-F216 HydrophobicContact CD2-CE2 3.59Å; L184-F216 HydrophobicContact CD2-CG 4.2Å; L184-F216 HydrophobicContact CD2-CZ 3.98Å; Y189-F216 HydrophobicContact CE1-CD2 4.17Å; Y189-F216 HydrophobicContact CE1-CE2 4.21Å; H212-F216 HydrophobicContact CB-CE2 4.13Å; H212-F216 HydrophobicContact CB-CZ 4.38Å; H212-F216 WeakPolarHBondContact O-CB 3.4Å; H212-F216 VanDerWaalsContact O-CD2 3.29Å; H212-F216 WeakPolarHBondContact O-CD2 3.48Å; H212-F216 WeakPolarHBondContact O-CG 3.43Å; H212-F216 PolarHBondContact O-N 3.06Å; Y213-F216 PolarHBondContact O-N 2.92Å; F216-Q218 VanDerWaalsContact C-N 3.31Å; F216-Q218 PolarHBondContact O-N 3.27Å; F216-L220 HydrophobicContact CB-CD1 4.38Å; F216-L220 VanDerWaalsContact O-CA 3.29Å; F216-L220 WeakPolarHBondContact O-CA 3.47Å; F216-L220 WeakPolarHBondContact O-CB 3.28Å; F216-L220 PolarHBondContact O-N 2.94Å; F216-G221 PolarHBondContact O-N 3.17Å; F216-F224 HydrophobicContact CB-CD1 3.77Å; F216-F224 HydrophobicContact CB-CD2 4Å; F216-F224 HydrophobicContact CB-CE1 3.66Å; F216-F224 HydrophobicContact CB-CE2 3.93Å; F216-F224 HydrophobicContact CB-CG 3.95Å; F216-F224 HydrophobicContact CB-CZ 3.76Å; F216-F224 HydrophobicContact CD2-CD2 4.45Å; F216-F224 AromaticContact CD2-CE2 3.88Å; F216-F224 HydrophobicContact CD2-CE2 3.88Å; F216-F224 HydrophobicContact CD2-CZ 4.04Å; F216-F224 HydrophobicContact CG-CE2 4.38Å; F216-F224 HydrophobicContact CG-CZ 4.43Å
217	Q	95.2	Very high	93.9	Very high	50 Å²	50	47.7 Å²	47.7	23%	0.234	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-39.2	171	-71.6	-174.2	-56.3	0	0	112.4	Y213 R214 M215 G221 F224	Y213-Q217 HydrophobicContact CD1-CG 4.17Å; Y213-Q217 HydrophobicContact CE1-CG 3.97Å; Y213-Q217 VanDerWaalsContact CE1-NE2 3.29Å; Y213-Q217 WeakPolarHBondContact O-CG 3.31Å; Y213-Q217 PolarHBondContact O-N 2.92Å; R214-Q217 PolarHBondContact O-N 2.77Å; M215-Q217 VanDerWaalsContact C-N 3.33Å; M215-Q217 PolarHBondContact O-N 3.19Å; Q217-G221 CarbonylContact O-C 3.59Å; Q217-G221 VanDerWaalsContact O-CA 3.3Å; Q217-G221 WeakPolarHBondContact O-CA 3.42Å; Q217-G221 PolarHBondContact O-N 3.19Å; Q217-F224 HydrophobicContact CG-CD1 4.09Å; Q217-F224 HydrophobicContact CG-CE1 3.84Å
218	Q	95.3	Very high	93.9	Very high	51 Å²	51	50 Å²	50	24%	0.238	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-44.4	-179.7	-171.6	-175.9	33.3	0	0	111.8	D123 R214 M215 F216	D123-Q218 PolarHBondContact OD2-NE2 3.1Å; R214-Q218 PolarHBondContact O-N 3Å; M215-Q218 WeakPolarHBondContact O-CB 3.34Å; M215-Q218 PolarHBondContact O-N 3.13Å; F216-Q218 VanDerWaalsContact C-N 3.31Å; F216-Q218 PolarHBondContact O-N 3.27Å
219	T	96.1	Very high	93.9	Very high	10 Å²	10	53 Å²	53	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-101.4	-26.9	-171.9	55.2	0	0	0	0	114.7	L78 Y147 M215 W239	L78-T219 HydrophobicContact CD2-CG2 4.14Å; Y147-T219 HydrophobicContact CE1-CG2 3.63Å; Y147-T219 WeakPolarHBondContact CE1-OG1 3.29Å; Y147-T219 WeakPolarHBondContact OH-CB 3.36Å; Y147-T219 PolarHBondContact OH-OG1 3.21Å; M215-T219 PolarHBondContact O-N 2.99Å; M215-T219 VanDerWaalsContact O-N 3.08Å; M215-T219 PolarHBondContact O-OG1 3.35Å; T219-W239 HydrophobicContact CG2-CE3 4.47Å; T219-W239 HydrophobicContact CG2-CH2 3.89Å; T219-W239 HydrophobicContact CG2-CZ3 3.81Å
220	L	96.1	Very high	94.1	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-110.8	-0.4	-177.8	-51.9	-178.8	0	0	0	113.6	L78 M79 W175 L184 F216 F224 L232 V235	L78-L220 HydrophobicContact CD1-CD2 3.88Å; M79-L220 HydrophobicContact CE-CD1 3.67Å; W175-L220 HydrophobicContact CH2-CD2 3.88Å; L184-L220 HydrophobicContact CD1-CD1 3.84Å; L184-L220 HydrophobicContact CD2-CD1 4.2Å; F216-L220 HydrophobicContact CB-CD1 4.38Å; F216-L220 VanDerWaalsContact O-CA 3.29Å; F216-L220 WeakPolarHBondContact O-CA 3.47Å; F216-L220 WeakPolarHBondContact O-CB 3.28Å; F216-L220 PolarHBondContact O-N 2.94Å; L220-F224 HydrophobicContact CB-CB 3.6Å; L220-F224 HydrophobicContact CB-CG 4.41Å; L220-F224 HydrophobicContact CD1-CB 4.41Å; L220-L232 HydrophobicContact CD1-CD2 4.21Å; L220-V235 HydrophobicContact CB-CG1 4.25Å; L220-V235 HydrophobicContact CD2-CG1 3.89Å
221	G	94	Very high	94.2	Very high	33 Å²	33	55 Å²	55	34%	0.34	27%	0.268	S	S	.	.			trans	87.5	160.3	-178.6	0	0	0	0	0	114.3	F216 Q217 C223 F224	F216-G221 PolarHBondContact O-N 3.17Å; Q217-G221 CarbonylContact O-C 3.59Å; Q217-G221 VanDerWaalsContact O-CA 3.3Å; Q217-G221 WeakPolarHBondContact O-CA 3.42Å; Q217-G221 PolarHBondContact O-N 3.19Å; G221-C223 PolarHBondContact O-N 3.47Å; G221-C223 VanDerWaalsContact O-N 3.1Å; G221-F224 WeakPolarHBondContact O-CB 3.47Å; G221-F224 WeakPolarHBondContact O-CD1 3.48Å; G221-F224 PolarHBondContact O-N 3.46Å; G221-F224 VanDerWaalsContact O-N 3.15Å
222	R	91.7	Very high	94.2	Very high	172 Å²	172	55 Å²	55	65%	0.649	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.8	-171.7	-68.3	-174	-177.3	-169.7	3.2	114.3
223	C	90.3	Very high	94.3	Very high	77 Å²	77	54.5 Å²	54.5	52%	0.52	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	22.6	-175.3	-63.6	0	0	0	0	113.2	G221 Y225 K226 A227	G221-C223 PolarHBondContact O-N 3.47Å; G221-C223 VanDerWaalsContact O-N 3.1Å; C223-Y225 PolarHBondContact O-N 2.95Å; C223-K226 PolarHBondContact O-N 3.33Å; C223-A227 PolarHBondContact O-N 3Å
224	F	91.6	Very high	94.5	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-31.8	-176.5	72.7	-93.7	0	0	0	113.9	Y189 Y213 F216 Q217 L220 G221 K226 A227	Y189-F224 HydrophobicContact CD1-CE2 4.13Å; Y189-F224 HydrophobicContact CE1-CD2 4.27Å; Y189-F224 AromaticContact CE1-CE2 3.43Å; Y189-F224 HydrophobicContact CE1-CE2 3.43Å; Y189-F224 VanDerWaalsContact CE1-CE2 3.43Å; Y189-F224 HydrophobicContact CE1-CZ 4.31Å; Y189-F224 AromaticContact CZ-CE2 3.68Å; Y189-F224 WeakPolarHBondContact OH-CD2 3.49Å; Y189-F224 WeakPolarHBondContact OH-CE2 3.48Å; Y213-F224 AromaticContact CD2-CE1 4Å; Y213-F224 HydrophobicContact CD2-CE1 4Å; Y213-F224 AromaticContact CD2-CZ 3.71Å; Y213-F224 HydrophobicContact CD2-CZ 3.71Å; Y213-F224 AromaticContact CE2-CE1 3.93Å; Y213-F224 HydrophobicContact CE2-CE1 3.93Å; Y213-F224 AromaticContact CE2-CZ 3.85Å; Y213-F224 HydrophobicContact CE2-CZ 3.85Å; Y213-F224 HydrophobicContact CG-CZ 4.5Å; F216-F224 HydrophobicContact CB-CD1 3.77Å; F216-F224 HydrophobicContact CB-CD2 4Å; F216-F224 HydrophobicContact CB-CE1 3.66Å; F216-F224 HydrophobicContact CB-CE2 3.93Å; F216-F224 HydrophobicContact CB-CG 3.95Å; F216-F224 HydrophobicContact CB-CZ 3.76Å; F216-F224 HydrophobicContact CD2-CD2 4.45Å; F216-F224 AromaticContact CD2-CE2 3.88Å; F216-F224 HydrophobicContact CD2-CE2 3.88Å; F216-F224 HydrophobicContact CD2-CZ 4.04Å; F216-F224 HydrophobicContact CG-CE2 4.38Å; F216-F224 HydrophobicContact CG-CZ 4.43Å; Q217-F224 HydrophobicContact CG-CD1 4.09Å; Q217-F224 HydrophobicContact CG-CE1 3.84Å; L220-F224 HydrophobicContact CB-CB 3.6Å; L220-F224 HydrophobicContact CB-CG 4.41Å; L220-F224 HydrophobicContact CD1-CB 4.41Å; G221-F224 WeakPolarHBondContact O-CB 3.47Å; G221-F224 WeakPolarHBondContact O-CD1 3.48Å; G221-F224 PolarHBondContact O-N 3.46Å; G221-F224 VanDerWaalsContact O-N 3.15Å; F224-K226 VanDerWaalsContact C-N 3.33Å; F224-K226 PolarHBondContact O-N 3.21Å; F224-A227 WeakPolarHBondContact O-CB 3.35Å; F224-A227 PolarHBondContact O-N 3.35Å
225	Y	86.4	Confident	94.6	Very high	65 Å²	65	54.6 Å²	54.6	26%	0.255	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-18.6	-178.5	62.5	-86.1	0	0	0	113.7	F12 Y213 C223	F12-Y225 HydrophobicContact CD2-CE2 4.35Å; Y213-Y225 HydrophobicContact CE2-CD1 4.32Å; C223-Y225 PolarHBondContact O-N 2.95Å
226	K	90.6	Very high	94.7	Very high	141 Å²	141	54.5 Å²	54.5	61%	0.613	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-6.6	172.5	-59.2	-175.2	-176.7	177.8	0	112.7	C223 F224 T228	C223-K226 PolarHBondContact O-N 3.33Å; F224-K226 VanDerWaalsContact C-N 3.33Å; F224-K226 PolarHBondContact O-N 3.21Å; K226-T228 PolarHBondContact O-N 3.39Å
227	A	93.1	Very high	94.9	Very high	15 Å²	15	56.3 Å²	56.3	12%	0.124	29%	0.287	C	S	.	.			trans	-61.5	137.7	-176.6	0	0	0	0	0	110.6	R180 C223 F224 Q231 L232	R180-A227 PolarHBondContact NH2-O 3.02Å; C223-A227 PolarHBondContact O-N 3Å; F224-A227 WeakPolarHBondContact O-CB 3.35Å; F224-A227 PolarHBondContact O-N 3.35Å; A227-Q231 HydrophobicContact CB-CB 4.09Å; A227-L232 HydrophobicContact CB-CD2 4.44Å; A227-L232 HydrophobicContact CB-CG 3.93Å
228	T	95.4	Very high	95	Very high	75 Å²	75	58.4 Å²	58.4	46%	0.46	30%	0.3	S	S	.	.			trans	-68.9	165.8	168.5	68	0	0	0	0	110.2	K226 E230 Q231 L232	K226-T228 PolarHBondContact O-N 3.39Å; T228-E230 VanDerWaalsContact C-N 3.25Å; T228-E230 PolarHBondContact O-N 3.32Å; T228-Q231 PolarHBondContact O-N 3.23Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.32Å; T228-Q231 PolarHBondContact OG1-N 3.01Å; T228-Q231 PolarHBondContact OG1-OE1 3.43Å; T228-L232 PolarHBondContact O-N 3.05Å
229	D	96	Very high	95.2	Very high	74 Å²	74	57.9 Å²	57.9	40%	0.396	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-37.8	176.7	-74.5	1.1	0	0	0	111.5	V176 R180 L232 K233	V176-D229 HydrophobicContact CG1-CB 3.79Å; R180-D229 IonicContact CZ-OD1 3.33Å; R180-D229 IonicContact NE-OD1 2.97Å; R180-D229 PolarHBondContact NE-OD1 3.2Å; R180-D229 IonicContact NH2-OD1 2.59Å; R180-D229 PolarHBondContact NH2-OD1 3.01Å; D229-L232 PolarHBondContact O-N 2.94Å; D229-K233 WeakPolarHBondContact O-CG 3.42Å; D229-K233 PolarHBondContact O-N 3.49Å
230	E	97.5	Very high	95.3	Very high	107 Å²	107	58.2 Å²	58.2	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-41.4	175	-165	61.3	-162	0	0	112.4	T228 L232 K233 N234	T228-E230 VanDerWaalsContact C-N 3.25Å; T228-E230 PolarHBondContact O-N 3.32Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 2.93Å; E230-K233 WeakPolarHBondContact O-CB 3.32Å; E230-K233 PolarHBondContact O-N 3.44Å; E230-K233 IonicContact OE2-NZ 3.11Å; E230-N234 PolarHBondContact O-N 3.25Å
231	Q	97.3	Very high	95.4	Very high	101 Å²	101	63.5 Å²	63.5	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-39.8	175.1	-73.6	170.3	-27.6	0	0	111.9	A227 T228 N234 V235	A227-Q231 HydrophobicContact CB-CB 4.09Å; T228-Q231 PolarHBondContact O-N 3.23Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.32Å; T228-Q231 PolarHBondContact OG1-N 3.01Å; T228-Q231 PolarHBondContact OG1-OE1 3.43Å; Q231-N234 PolarHBondContact O-N 2.95Å; Q231-V235 WeakPolarHBondContact O-CB 3.28Å; Q231-V235 VanDerWaalsContact O-CG2 3.27Å; Q231-V235 WeakPolarHBondContact O-CG2 3.47Å; Q231-V235 PolarHBondContact O-N 3.35Å
232	L	96	Very high	95.7	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-35.8	175.7	-85.2	170.1	0	0	0	112.6	W175 V176 R180 L184 L220 A227 T228 D229 E230 Y236	W175-L232 HydrophobicContact CZ3-CB 4.46Å; V176-L232 HydrophobicContact CG1-CB 4.48Å; V176-L232 HydrophobicContact CG1-CD1 4.49Å; V176-L232 HydrophobicContact CG2-CB 3.84Å; R180-L232 VanDerWaalsContact CZ-CD1 3.43Å; L184-L232 HydrophobicContact CD1-CD1 4.17Å; L184-L232 HydrophobicContact CD1-CD2 4.05Å; L220-L232 HydrophobicContact CD1-CD2 4.21Å; A227-L232 HydrophobicContact CB-CD2 4.44Å; A227-L232 HydrophobicContact CB-CG 3.93Å; T228-L232 PolarHBondContact O-N 3.05Å; D229-L232 PolarHBondContact O-N 2.94Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 2.93Å; L232-Y236 WeakPolarHBondContact O-CB 3.22Å; L232-Y236 PolarHBondContact O-N 3Å
233	K	97.7	Very high	96	Very high	32 Å²	32	58 Å²	58	14%	0.139	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-50.3	172.6	-71.6	177.7	-172.1	-177.7	0	111	P172 D173 V176 D229 E230 V235 Y236 T237	P172-K233 HydrophobicContact CB-CB 4.26Å; P172-K233 HydrophobicContact CB-CG 4.1Å; D173-K233 WeakPolarHBondContact OD1-CE 3.22Å; D173-K233 IonicContact OD1-NZ 2.77Å; D173-K233 PolarHBondContact OD1-NZ 3.18Å; D173-K233 VanDerWaalsContact OD2-CE 3.32Å; D173-K233 WeakPolarHBondContact OD2-CE 3.25Å; D173-K233 IonicContact OD2-NZ 3.99Å; D173-K233 PolarHBondContact OD2-NZ 3.26Å; V176-K233 HydrophobicContact CG2-CB 4.49Å; V176-K233 HydrophobicContact CG2-CG 3.65Å; D229-K233 WeakPolarHBondContact O-CG 3.42Å; D229-K233 PolarHBondContact O-N 3.49Å; E230-K233 WeakPolarHBondContact O-CB 3.32Å; E230-K233 PolarHBondContact O-N 3.44Å; E230-K233 IonicContact OE2-NZ 3.11Å; K233-V235 VanDerWaalsContact C-N 3.34Å; K233-V235 PolarHBondContact O-N 2.9Å; K233-Y236 WeakPolarHBondContact O-CB 3.46Å; K233-Y236 PolarHBondContact O-N 3.12Å; K233-Y236 VanDerWaalsContact O-N 3.09Å; K233-T237 PolarHBondContact O-N 2.82Å; K233-T237 PolarHBondContact O-OG1 2.7Å; K233-T237 VanDerWaalsContact O-OG1 3.13Å
234	N	98	Very high	96.4	Very high	79 Å²	79	58.3 Å²	58.3	42%	0.422	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-48.3	-179.3	-67.7	-12.7	0	0	0	110.8	E230 Q231 Y236 T237 D238	E230-N234 PolarHBondContact O-N 3.25Å; Q231-N234 PolarHBondContact O-N 2.95Å; N234-Y236 VanDerWaalsContact C-N 3.27Å; N234-Y236 PolarHBondContact O-N 3.45Å; N234-T237 PolarHBondContact O-N 3.48Å; N234-T237 VanDerWaalsContact O-N 3.14Å; N234-D238 WeakPolarHBondContact O-CB 3.35Å; N234-D238 PolarHBondContact O-N 3.23Å
235	V	97.7	Very high	96.7	Very high	43 Å²	43	66.2 Å²	66.2	26%	0.261	32%	0.324	S	S	.	.	H	α-helix	trans	-57.4	-39.3	176	166.8	0	0	0	0	112.6	L220 Q231 K233 W239	L220-V235 HydrophobicContact CB-CG1 4.25Å; L220-V235 HydrophobicContact CD2-CG1 3.89Å; Q231-V235 WeakPolarHBondContact O-CB 3.28Å; Q231-V235 VanDerWaalsContact O-CG2 3.27Å; Q231-V235 WeakPolarHBondContact O-CG2 3.47Å; Q231-V235 PolarHBondContact O-N 3.35Å; K233-V235 VanDerWaalsContact C-N 3.34Å; K233-V235 PolarHBondContact O-N 2.9Å; V235-W239 VanDerWaalsContact O-CB 3.32Å; V235-W239 WeakPolarHBondContact O-CB 3.19Å; V235-W239 PolarHBondContact O-N 3.26Å
236	Y	98.3	Very high	97.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70.5	-41.3	176.9	178.7	-118.3	0	0	0	112.8	L78 S81 I169 R170 P172 W175 L232 K233 N234 W239 N240	L78-Y236 HydrophobicContact CB-CE2 4.46Å; L78-Y236 HydrophobicContact CD1-CD2 4.13Å; S81-Y236 WeakPolarHBondContact CB-OH 3.13Å; I169-Y236 WeakPolarHBondContact CA-OH 3.43Å; R170-Y236 PolarHBondContact N-OH 3.39Å; R170-Y236 VanDerWaalsContact N-OH 3.12Å; R170-Y236 WeakPolarHBondContact O-CE1 3.4Å; P172-Y236 HydrophobicContact CB-CD1 4.31Å; P172-Y236 HydrophobicContact CG-CD1 4.44Å; W175-Y236 HydrophobicContact CB-CD1 4.19Å; W175-Y236 HydrophobicContact CB-CE1 4Å; W175-Y236 AromaticContact CD1-CE2 3.89Å; W175-Y236 AromaticContact CD1-CZ 3.74Å; W175-Y236 AromaticContact CD2-CD1 3.97Å; W175-Y236 HydrophobicContact CD2-CD1 3.97Å; W175-Y236 AromaticContact CD2-CD2 3.88Å; W175-Y236 HydrophobicContact CD2-CD2 3.88Å; W175-Y236 HydrophobicContact CD2-CE1 4.28Å; W175-Y236 HydrophobicContact CD2-CE2 4.22Å; W175-Y236 AromaticContact CD2-CG 3.75Å; W175-Y236 HydrophobicContact CD2-CG 3.75Å; W175-Y236 AromaticContact CE2-CD2 3.67Å; W175-Y236 AromaticContact CE2-CE2 3.92Å; W175-Y236 HydrophobicContact CE3-CD1 4.16Å; W175-Y236 HydrophobicContact CE3-CD2 4.29Å; W175-Y236 AromaticContact CE3-CG 3.81Å; W175-Y236 HydrophobicContact CE3-CG 3.81Å; W175-Y236 AromaticContact CG-CD1 3.97Å; W175-Y236 HydrophobicContact CG-CD1 3.97Å; W175-Y236 HydrophobicContact CG-CD2 4.32Å; W175-Y236 AromaticContact CG-CE1 3.85Å; W175-Y236 HydrophobicContact CG-CE1 3.85Å; W175-Y236 HydrophobicContact CG-CE2 4.23Å; W175-Y236 HydrophobicContact CG-CG 4.2Å; W175-Y236 AromaticContact CG-CZ 3.98Å; W175-Y236 HydrophobicContact CH2-CD2 4.36Å; W175-Y236 HydrophobicContact CH2-CG 4.45Å; W175-Y236 AromaticContact CZ2-CD2 3.94Å; W175-Y236 HydrophobicContact CZ2-CD2 3.94Å; W175-Y236 HydrophobicContact CZ2-CG 4.39Å; W175-Y236 HydrophobicContact CZ3-CG 4.17Å; W175-Y236 AromaticContact NE1-CD2 3.95Å; W175-Y236 AromaticContact NE1-CE2 3.69Å; L232-Y236 WeakPolarHBondContact O-CB 3.22Å; L232-Y236 PolarHBondContact O-N 3Å; K233-Y236 WeakPolarHBondContact O-CB 3.46Å; K233-Y236 PolarHBondContact O-N 3.12Å; K233-Y236 VanDerWaalsContact O-N 3.09Å; N234-Y236 VanDerWaalsContact C-N 3.27Å; N234-Y236 PolarHBondContact O-N 3.45Å; Y236-W239 PolarHBondContact O-N 3.34Å; Y236-N240 WeakPolarHBondContact CE1-ND2 3.35Å; Y236-N240 VanDerWaalsContact CZ-ND2 3.32Å; Y236-N240 VanDerWaalsContact O-CG 3.25Å; Y236-N240 PolarHBondContact O-N 3.08Å; Y236-N240 VanDerWaalsContact O-N 3.11Å; Y236-N240 PolarHBondContact O-ND2 3.2Å
237	T	98.4	Very high	97.6	Very high	46 Å²	46	58.5 Å²	58.5	28%	0.282	30%	0.297	S	S	.	.	H	α-helix	trans	-63.3	-49.9	175.2	-59.2	0	0	0	0	110.6	K233 N234 W239 N240 E241	K233-T237 PolarHBondContact O-N 2.82Å; K233-T237 PolarHBondContact O-OG1 2.7Å; K233-T237 VanDerWaalsContact O-OG1 3.13Å; N234-T237 PolarHBondContact O-N 3.48Å; N234-T237 VanDerWaalsContact O-N 3.14Å; T237-W239 VanDerWaalsContact C-N 3.29Å; T237-W239 PolarHBondContact O-N 3.42Å; T237-N240 WeakPolarHBondContact O-CB 3.36Å; T237-N240 PolarHBondContact O-N 3.47Å; T237-E241 HydrophobicContact CG2-CG 4.45Å; T237-E241 WeakPolarHBondContact O-CG 3.42Å; T237-E241 PolarHBondContact O-N 3.46Å
238	D	98.4	Very high	97.8	Very high	95 Å²	95	60.9 Å²	60.9	51%	0.508	31%	0.312	S	S	.	.	H	α-helix	trans	-57.5	-42.2	177.5	-64.4	-13.1	0	0	0	111.1	N234 N240 E241 E242	N234-D238 WeakPolarHBondContact O-CB 3.35Å; N234-D238 PolarHBondContact O-N 3.23Å; D238-N240 PolarHBondContact O-N 3.32Å; D238-E241 PolarHBondContact O-N 2.7Å; D238-E242 WeakPolarHBondContact O-CB 3.45Å; D238-E242 PolarHBondContact O-N 3.36Å
239	W	98.5	Very high	97.9	Very high	39 Å²	39	62.5 Å²	62.5	15%	0.148	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-48.5	174.2	175.6	-86.7	0	0	0	111.9	A76 L78 A150 Y153 T219 V235 Y236 T237 E242 V243	A76-W239 PolarHBondContact O-NE1 3Å; L78-W239 HydrophobicContact CD1-CB 4.41Å; L78-W239 HydrophobicContact CD1-CD2 4.21Å; L78-W239 HydrophobicContact CD1-CG 3.94Å; L78-W239 HydrophobicContact CD2-CD2 3.87Å; L78-W239 VanDerWaalsContact CD2-CE2 3.41Å; L78-W239 HydrophobicContact CD2-CG 4.25Å; L78-W239 HydrophobicContact CD2-CH2 4.4Å; L78-W239 HydrophobicContact CD2-CZ2 3.72Å; L78-W239 HydrophobicContact CG-CD2 4.2Å; L78-W239 HydrophobicContact CG-CG 4.05Å; A150-W239 WeakPolarHBondContact O-CH2 3.36Å; A150-W239 VanDerWaalsContact O-CZ2 3.25Å; A150-W239 WeakPolarHBondContact O-CZ2 3.34Å; Y153-W239 AromaticContact CD1-CH2 3.91Å; Y153-W239 HydrophobicContact CD1-CH2 3.91Å; Y153-W239 AromaticContact CD1-CZ2 3.76Å; Y153-W239 HydrophobicContact CD1-CZ2 3.76Å; Y153-W239 AromaticContact CE1-CH2 3.89Å; Y153-W239 HydrophobicContact CE1-CH2 3.89Å; Y153-W239 AromaticContact CE1-CZ2 3.89Å; Y153-W239 HydrophobicContact CE1-CZ2 3.89Å; T219-W239 HydrophobicContact CG2-CE3 4.47Å; T219-W239 HydrophobicContact CG2-CH2 3.89Å; T219-W239 HydrophobicContact CG2-CZ3 3.81Å; V235-W239 VanDerWaalsContact O-CB 3.32Å; V235-W239 WeakPolarHBondContact O-CB 3.19Å; V235-W239 PolarHBondContact O-N 3.26Å; Y236-W239 PolarHBondContact O-N 3.34Å; T237-W239 VanDerWaalsContact C-N 3.29Å; T237-W239 PolarHBondContact O-N 3.42Å; W239-E242 PolarHBondContact O-N 3.36Å; W239-V243 HydrophobicContact CZ2-CG2 4.43Å; W239-V243 VanDerWaalsContact O-CG2 3.25Å; W239-V243 WeakPolarHBondContact O-CG2 3.17Å; W239-V243 PolarHBondContact O-N 3.22Å
240	N	98.7	Very high	97.9	Very high	18 Å²	18	64.7 Å²	64.7	10%	0.096	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-42.4	-179	-67	-27.9	0	0	0	111.4	L167 Y236 T237 D238 V243 I244	L167-N240 HydrophobicContact CD2-CB 4.05Å; Y236-N240 WeakPolarHBondContact CE1-ND2 3.35Å; Y236-N240 VanDerWaalsContact CZ-ND2 3.32Å; Y236-N240 VanDerWaalsContact O-CG 3.25Å; Y236-N240 PolarHBondContact O-N 3.08Å; Y236-N240 VanDerWaalsContact O-N 3.11Å; Y236-N240 PolarHBondContact O-ND2 3.2Å; T237-N240 WeakPolarHBondContact O-CB 3.36Å; T237-N240 PolarHBondContact O-N 3.47Å; D238-N240 PolarHBondContact O-N 3.32Å; N240-V243 PolarHBondContact O-N 3.43Å; N240-I244 WeakPolarHBondContact O-CD1 3.47Å; N240-I244 VanDerWaalsContact O-CG1 3.26Å; N240-I244 WeakPolarHBondContact O-CG1 3.43Å; N240-I244 PolarHBondContact O-N 2.97Å
241	E	98.6	Very high	97.9	Very high	119 Å²	119	62 Å²	62	56%	0.556	32%	0.323	S	S	*	.	H	α-helix	trans	-62.9	-42.4	177.2	-71.1	-178.1	-177.8	0	0	111.8	T237 D238 V243 I244 K245	T237-E241 HydrophobicContact CG2-CG 4.45Å; T237-E241 WeakPolarHBondContact O-CG 3.42Å; T237-E241 PolarHBondContact O-N 3.46Å; D238-E241 PolarHBondContact O-N 2.7Å; E241-V243 PolarHBondContact O-N 2.87Å; E241-I244 PolarHBondContact O-N 3.34Å; E241-K245 WeakPolarHBondContact O-CB 3.44Å; E241-K245 PolarHBondContact O-N 3.02Å
242	E	98.5	Very high	98	Very high	90 Å²	90	58.1 Å²	58.1	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-38.9	177.5	-172.7	57.8	-152.2	0	0	111.9	D238 W239 K245 S246	D238-E242 WeakPolarHBondContact O-CB 3.45Å; D238-E242 PolarHBondContact O-N 3.36Å; W239-E242 PolarHBondContact O-N 3.36Å; E242-K245 PolarHBondContact O-N 2.64Å; E242-S246 VanDerWaalsContact O-CB 3.24Å; E242-S246 WeakPolarHBondContact O-CB 3.46Å; E242-S246 PolarHBondContact O-N 3.48Å; E242-S246 PolarHBondContact O-OG 3.01Å
243	V	98.7	Very high	98.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.8	-44.4	172.6	173.4	0	0	0	0	111.1	A76 Y153 L167 W239 N240 E241 K245 S246 I247 L252	A76-V243 HydrophobicContact CB-CG1 3.63Å; A76-V243 HydrophobicContact CB-CG2 4.04Å; Y153-V243 HydrophobicContact CD1-CG2 4.22Å; Y153-V243 HydrophobicContact CD2-CG1 4.37Å; Y153-V243 HydrophobicContact CD2-CG2 4.32Å; Y153-V243 HydrophobicContact CE1-CG2 3.68Å; Y153-V243 HydrophobicContact CE2-CB 4.14Å; Y153-V243 HydrophobicContact CE2-CG1 4.08Å; Y153-V243 HydrophobicContact CE2-CG2 3.81Å; Y153-V243 VanDerWaalsContact CZ-CG2 3.45Å; Y153-V243 WeakPolarHBondContact OH-CA 3.47Å; L167-V243 HydrophobicContact CB-CG1 3.99Å; L167-V243 HydrophobicContact CD1-CB 4.16Å; L167-V243 HydrophobicContact CD1-CG1 3.96Å; L167-V243 HydrophobicContact CD1-CG2 4.17Å; L167-V243 HydrophobicContact CD2-CB 4.07Å; L167-V243 HydrophobicContact CD2-CG1 3.94Å; L167-V243 HydrophobicContact CG-CG1 4.16Å; W239-V243 HydrophobicContact CZ2-CG2 4.43Å; W239-V243 VanDerWaalsContact O-CG2 3.25Å; W239-V243 WeakPolarHBondContact O-CG2 3.17Å; W239-V243 PolarHBondContact O-N 3.22Å; N240-V243 PolarHBondContact O-N 3.43Å; E241-V243 PolarHBondContact O-N 2.87Å; V243-K245 VanDerWaalsContact C-N 3.3Å; V243-K245 PolarHBondContact O-N 3.46Å; V243-S246 PolarHBondContact O-N 2.82Å; V243-S246 PolarHBondContact O-OG 3.12Å; V243-I247 PolarHBondContact O-N 2.67Å; V243-L252 HydrophobicContact CG1-CD1 4.27Å
244	I	98.7	Very high	98.2	Very high	83 Å²	83	60.2 Å²	60.2	43%	0.426	32%	0.32	S	S	.	.	H	α-helix	trans	-64.1	-38.5	179.5	-70.1	164.4	0	0	0	111.3	L167 N240 E241 L252 V254	L167-I244 HydrophobicContact CD2-CD1 4.15Å; L167-I244 HydrophobicContact CD2-CG1 3.86Å; N240-I244 WeakPolarHBondContact O-CD1 3.47Å; N240-I244 VanDerWaalsContact O-CG1 3.26Å; N240-I244 WeakPolarHBondContact O-CG1 3.43Å; N240-I244 PolarHBondContact O-N 2.97Å; E241-I244 PolarHBondContact O-N 3.34Å; I244-L252 HydrophobicContact CB-CD2 4.35Å; I244-L252 HydrophobicContact CG1-CD2 4.13Å; I244-V254 HydrophobicContact CD1-CG2 4.02Å; I244-V254 HydrophobicContact CG1-CG2 3.84Å
245	K	98.3	Very high	98.2	Very high	167 Å²	167	56.4 Å²	56.4	73%	0.726	30%	0.299	S	S	*	.	H	α-helix	trans	-73.6	-36.9	-179.8	-177.9	-176.3	171.6	-165.6	0	113.1	E241 E242 V243	E241-K245 WeakPolarHBondContact O-CB 3.44Å; E241-K245 PolarHBondContact O-N 3.02Å; E242-K245 PolarHBondContact O-N 2.64Å; V243-K245 VanDerWaalsContact C-N 3.3Å; V243-K245 PolarHBondContact O-N 3.46Å
246	S	97.7	Very high	98.2	Very high	38 Å²	38	56.8 Å²	56.8	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-84.3	-20.9	-171.7	59.8	0	0	0	0	114.3	Y153 E242 V243	Y153-S246 WeakPolarHBondContact CE2-OG 3.41Å; Y153-S246 PolarHBondContact OH-OG 2.84Å; E242-S246 VanDerWaalsContact O-CB 3.24Å; E242-S246 WeakPolarHBondContact O-CB 3.46Å; E242-S246 PolarHBondContact O-N 3.48Å; E242-S246 PolarHBondContact O-OG 3.01Å; V243-S246 PolarHBondContact O-N 2.82Å; V243-S246 PolarHBondContact O-OG 3.12Å
247	I	98	Very high	98	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	30%	0.304	C	S	.	.	S	Bend	trans	-108.3	131.2	-176.9	-54.3	-57.9	0	0	0	111	Y153 I165 V243 S249 R251 L252	Y153-I247 HydrophobicContact CD2-CD1 4.05Å; Y153-I247 HydrophobicContact CD2-CG1 4.16Å; Y153-I247 HydrophobicContact CE2-CD1 3.97Å; Y153-I247 HydrophobicContact CE2-CG1 3.93Å; I165-I247 HydrophobicContact CB-CG2 3.99Å; I165-I247 HydrophobicContact CG1-CD1 4.34Å; I165-I247 HydrophobicContact CG1-CG1 4.36Å; I165-I247 HydrophobicContact CG1-CG2 3.68Å; I165-I247 HydrophobicContact CG2-CG1 4.36Å; V243-I247 PolarHBondContact O-N 2.67Å; I247-S249 PolarHBondContact O-N 2.92Å; I247-R251 HydrophobicContact CG2-CB 4.29Å; I247-L252 HydrophobicContact CB-CB 4.31Å; I247-L252 HydrophobicContact CB-CD1 4.49Å; I247-L252 HydrophobicContact CB-CD2 4.4Å; I247-L252 HydrophobicContact CG2-CB 3.87Å; I247-L252 HydrophobicContact CG2-CD1 4.45Å
248	P	97	Very high	97.7	Very high	66 Å²	66	59.7 Å²	59.7	43%	0.429	32%	0.322	S	S	.	.			trans	-53.8	135.1	173.4	-26.4	35.1	0	0	0	112.6	D250 R251 L252	P248-D250 VanDerWaalsContact C-N 3.26Å; P248-D250 WeakPolarHBondContact CB-OD1 3.21Å; P248-D250 PolarHBondContact O-N 3Å; P248-R251 CarbonylContact O-C 3.56Å; P248-R251 WeakPolarHBondContact O-CA 3.28Å; P248-R251 PolarHBondContact O-N 3.15Å; P248-L252 PolarHBondContact O-N 2.95Å; P248-L252 VanDerWaalsContact O-N 3.16Å
249	S	96.7	Very high	97.7	Very high	108 Å²	108	60 Å²	60	76%	0.755	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-62.4	-29.2	-172.8	55.7	0	0	0	0	113.9	I247 R251 L252	I247-S249 PolarHBondContact O-N 2.92Å; S249-R251 PolarHBondContact O-N 3.5Å; S249-L252 PolarHBondContact O-N 3.41Å
250	D	97.1	Very high	97.5	Very high	121 Å²	121	58.9 Å²	58.9	65%	0.647	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-69.5	-20.1	174.9	64.4	-59.1	0	0	0	112.8	P248	P248-D250 VanDerWaalsContact C-N 3.26Å; P248-D250 WeakPolarHBondContact CB-OD1 3.21Å; P248-D250 PolarHBondContact O-N 3Å
251	R	97.7	Very high	97.5	Very high	49 Å²	49	59 Å²	59	19%	0.185	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-104.6	-0.3	176.3	-69.8	-177.8	60.2	-162.3	-1	113.6	S157 Y160 P161 A163 I165 I247 P248 S249 F267	S157-R251 PolarHBondContact O-NH2 3.44Å; S157-R251 VanDerWaalsContact O-NH2 3.16Å; Y160-R251 PolarHBondContact O-NH2 3.01Å; P161-R251 PolarHBondContact O-NE 3.26Å; P161-R251 PolarHBondContact O-NH1 3.14Å; P161-R251 PolarHBondContact O-NH2 3.15Å; P161-R251 VanDerWaalsContact O-NH2 3.16Å; A163-R251 PolarHBondContact O-NE 3.03Å; A163-R251 PolarHBondContact O-NH2 3.16Å; I165-R251 PolarHBondContact N-O 3.44Å; I247-R251 HydrophobicContact CG2-CB 4.29Å; P248-R251 CarbonylContact O-C 3.56Å; P248-R251 WeakPolarHBondContact O-CA 3.28Å; P248-R251 PolarHBondContact O-N 3.15Å; S249-R251 PolarHBondContact O-N 3.5Å; R251-F267 WeakPolarHBondContact O-CZ 3.29Å
252	L	98.8	Very high	97.5	Very high	20 Å²	20	59 Å²	59	11%	0.105	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.1	-175.5	-178.7	64	0	0	0	111.8	I165 L167 V243 I244 I247 P248 S249 V254	I165-L252 HydrophobicContact CB-CD1 4.1Å; I165-L252 HydrophobicContact CG2-CD1 3.98Å; I165-L252 WeakPolarHBondContact O-CA 3.44Å; L167-L252 HydrophobicContact CB-CD1 4.15Å; V243-L252 HydrophobicContact CG1-CD1 4.27Å; I244-L252 HydrophobicContact CB-CD2 4.35Å; I244-L252 HydrophobicContact CG1-CD2 4.13Å; I247-L252 HydrophobicContact CB-CB 4.31Å; I247-L252 HydrophobicContact CB-CD1 4.49Å; I247-L252 HydrophobicContact CB-CD2 4.4Å; I247-L252 HydrophobicContact CG2-CB 3.87Å; I247-L252 HydrophobicContact CG2-CD1 4.45Å; P248-L252 PolarHBondContact O-N 2.95Å; P248-L252 VanDerWaalsContact O-N 3.16Å; S249-L252 PolarHBondContact O-N 3.41Å; L252-V254 HydrophobicContact CD2-CG2 4.29Å; L252-V254 HydrophobicContact CG-CG2 4.43Å
253	L	98.9	Very high	97.5	Very high	23 Å²	23	56 Å²	56	12%	0.12	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.3	163.6	178.5	69.4	0	0	0	110	I165 I166 L167 F255 P263 L264 F267	I165-L253 PolarHBondContact O-N 2.61Å; I166-L253 CarbonylContact C-O 3.59Å; I166-L253 WeakPolarHBondContact CA-O 3.48Å; I166-L253 HydrophobicContact CG1-CB 4.38Å; I166-L253 HydrophobicContact CG2-CD2 4.47Å; L167-L253 PolarHBondContact N-O 3.08Å; L253-F255 HydrophobicContact CD2-CB 4.06Å; L253-F255 HydrophobicContact CD2-CD2 4.2Å; L253-F255 HydrophobicContact CD2-CG 4.28Å; L253-F255 HydrophobicContact CG-CB 4.05Å; L253-P263 HydrophobicContact CD1-CB 4.42Å; L253-L264 HydrophobicContact CD2-CD1 4.27Å; L253-F267 HydrophobicContact CB-CB 4.38Å; L253-F267 HydrophobicContact CB-CD1 3.46Å; L253-F267 VanDerWaalsContact CB-CD1 3.46Å; L253-F267 HydrophobicContact CB-CD2 3.98Å; L253-F267 HydrophobicContact CB-CE1 3.51Å; L253-F267 HydrophobicContact CB-CE2 4.05Å; L253-F267 HydrophobicContact CB-CG 3.68Å; L253-F267 HydrophobicContact CB-CZ 3.81Å; L253-F267 HydrophobicContact CD1-CB 4.28Å; L253-F267 HydrophobicContact CD1-CG 4.4Å; L253-F267 HydrophobicContact CD2-CB 3.94Å; L253-F267 HydrophobicContact CD2-CD1 3.83Å; L253-F267 HydrophobicContact CD2-CG 4.05Å; L253-F267 HydrophobicContact CG-CB 4.42Å; L253-F267 HydrophobicContact CG-CD1 4.2Å; L253-F267 HydrophobicContact CG-CG 4.24Å
254	V	98.8	Very high	97.5	Very high	54 Å²	54	56 Å²	56	33%	0.327	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.8	164.5	-175.9	0	0	0	0	107.7	L167 I169 I244 L252	L167-V254 HydrophobicContact CD2-CG2 4.37Å; L167-V254 WeakPolarHBondContact O-CA 3.42Å; I169-V254 HydrophobicContact CB-CG1 4.46Å; I169-V254 HydrophobicContact CD1-CG1 3.61Å; I169-V254 HydrophobicContact CG1-CG1 3.94Å; I169-V254 HydrophobicContact CG2-CG1 3.71Å; I244-V254 HydrophobicContact CD1-CG2 4.02Å; I244-V254 HydrophobicContact CG1-CG2 3.84Å; L252-V254 HydrophobicContact CD2-CG2 4.29Å; L252-V254 HydrophobicContact CG-CG2 4.43Å
255	F	98.6	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.4	-164.4	-177	-114.8	0	0	0	112.5	I166 L167 T168 I169 L253 Q259 G260 P263 L264 Y279	I166-F255 HydrophobicContact CG2-CB 3.93Å; L167-F255 PolarHBondContact O-N 3.36Å; T168-F255 CarbonylContact C-O 3.52Å; T168-F255 VanDerWaalsContact CA-O 3.27Å; T168-F255 WeakPolarHBondContact CA-O 3.3Å; T168-F255 HydrophobicContact CG2-CD1 4.12Å; I169-F255 PolarHBondContact N-O 2.74Å; L253-F255 HydrophobicContact CD2-CB 4.06Å; L253-F255 HydrophobicContact CD2-CD2 4.2Å; L253-F255 HydrophobicContact CD2-CG 4.28Å; L253-F255 HydrophobicContact CG-CB 4.05Å; F255-Q259 HydrophobicContact CE2-CB 4.19Å; F255-G260 WeakPolarHBondContact CE2-O 3.37Å; F255-G260 WeakPolarHBondContact CZ-O 3.31Å; F255-P263 HydrophobicContact CD2-CG 4.02Å; F255-P263 HydrophobicContact CE2-CG 3.8Å; F255-L264 HydrophobicContact CE2-CB 4.33Å; F255-L264 HydrophobicContact CZ-CB 4.5Å; F255-Y279 HydrophobicContact CE1-CE1 4.4Å; F255-Y279 HydrophobicContact CE1-CE2 4.19Å; F255-Y279 AromaticContact CE1-CZ 3.72Å; F255-Y279 VanDerWaalsContact CE1-OH 3.3Å; F255-Y279 WeakPolarHBondContact CE1-OH 3.5Å; F255-Y279 HydrophobicContact CZ-CE1 4.39Å; F255-Y279 AromaticContact CZ-CE2 3.89Å; F255-Y279 HydrophobicContact CZ-CE2 3.89Å; F255-Y279 AromaticContact CZ-CZ 3.79Å
256	D	97.1	Very high	97.5	Very high	50 Å²	50	49.9 Å²	49.9	27%	0.267	28%	0.279	S	S	.	.			trans	-101.7	132.1	166.3	-172.6	-54.2	0	0	0	108.8	I169 S258 Q259	I169-D256 HydrophobicContact CG1-CB 4.25Å; D256-S258 VanDerWaalsContact CG-OG 3.26Å; D256-S258 PolarHBondContact O-N 2.81Å; D256-S258 VanDerWaalsContact OD1-CB 3.26Å; D256-S258 WeakPolarHBondContact OD1-CB 3.44Å; D256-S258 PolarHBondContact OD1-N 3.05Å; D256-S258 PolarHBondContact OD1-OG 3.23Å; D256-Q259 HydrophobicContact CB-CG 4.21Å; D256-Q259 WeakPolarHBondContact O-CB 3.17Å; D256-Q259 WeakPolarHBondContact O-CG 3.24Å; D256-Q259 PolarHBondContact O-N 2.95Å; D256-Q259 PolarHBondContact O-OE1 3.45Å
257	S	93.9	Very high	97.5	Very high	14 Å²	14	49.7 Å²	49.7	10%	0.098	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-59.1	-22.5	-178.6	-63.8	0	0	0	0	113.7	Q259 G260 H281	S257-Q259 PolarHBondContact O-N 3.03Å; S257-G260 PolarHBondContact O-N 2.89Å; S257-H281 PolarHBondContact O-CE1 3.3Å
258	S	93.7	Very high	97.5	Very high	94 Å²	94	50 Å²	50	66%	0.657	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-66.7	-19.7	174.5	62.4	0	0	0	0	113.7	D256 G260	D256-S258 VanDerWaalsContact CG-OG 3.26Å; D256-S258 PolarHBondContact O-N 2.81Å; D256-S258 VanDerWaalsContact OD1-CB 3.26Å; D256-S258 WeakPolarHBondContact OD1-CB 3.44Å; D256-S258 PolarHBondContact OD1-N 3.05Å; D256-S258 PolarHBondContact OD1-OG 3.23Å; S258-G260 PolarHBondContact O-N 3.19Å
259	Q	96.6	Very high	97.5	Very high	102 Å²	102	50.1 Å²	50.1	48%	0.477	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-74.9	-13.7	178.3	-57.2	175.2	-63.5	0	0	112.9	F255 D256 S257 P263	F255-Q259 HydrophobicContact CE2-CB 4.19Å; D256-Q259 HydrophobicContact CB-CG 4.21Å; D256-Q259 WeakPolarHBondContact O-CB 3.17Å; D256-Q259 WeakPolarHBondContact O-CG 3.24Å; D256-Q259 PolarHBondContact O-N 2.95Å; D256-Q259 PolarHBondContact O-OE1 3.45Å; S257-Q259 PolarHBondContact O-N 3.03Å; Q259-P263 HydrophobicContact CB-CG 3.76Å
260	G	96.2	Very high	97.6	Very high	14 Å²	14	47.9 Å²	47.9	14%	0.144	26%	0.264	C	S	.	.			trans	68.7	-151.5	176.8	0	0	0	0	0	114.2	F255 S257 S258	F255-G260 WeakPolarHBondContact CE2-O 3.37Å; F255-G260 WeakPolarHBondContact CZ-O 3.31Å; S257-G260 PolarHBondContact O-N 2.89Å; S258-G260 PolarHBondContact O-N 3.19Å
261	W	98.6	Very high	97.6	Very high	21 Å²	21	47.3 Å²	47.3	8%	0.08	27%	0.267	C	S	.	.	H	α-helix	trans	-71.1	-35.6	-172	-72	119.5	0	0	0	114.8	A89 Y92 L93 L264 C265 I272 P273 I277 P278 Y279 P280	A89-W261 HydrophobicContact CB-CH2 3.81Å; A89-W261 HydrophobicContact CB-CZ3 3.61Å; Y92-W261 AromaticContact CD1-CH2 3.78Å; Y92-W261 HydrophobicContact CD1-CH2 3.78Å; Y92-W261 HydrophobicContact CD1-CZ2 4.29Å; Y92-W261 HydrophobicContact CD1-CZ3 4.36Å; Y92-W261 HydrophobicContact CG-CH2 4.08Å; L93-W261 HydrophobicContact CD1-CZ3 4.14Å; L93-W261 HydrophobicContact CD2-CZ3 4.17Å; L93-W261 HydrophobicContact CG-CZ3 3.98Å; W261-L264 HydrophobicContact CE3-CD2 4.37Å; W261-L264 HydrophobicContact CZ3-CD2 4.36Å; W261-L264 PolarHBondContact O-N 2.91Å; W261-C265 WeakPolarHBondContact O-CB 3.36Å; W261-C265 PolarHBondContact O-N 3.44Å; W261-C265 PolarHBondContact O-SG 2.98Å; W261-I272 HydrophobicContact CB-CG2 4.1Å; W261-P273 HydrophobicContact CD2-CG 3.69Å; W261-P273 HydrophobicContact CE3-CG 4.07Å; W261-P273 HydrophobicContact CG-CG 3.94Å; W261-P273 HydrophobicContact CZ2-CG 4.19Å; W261-P273 HydrophobicContact CZ3-CG 4.47Å; W261-I277 PolarHBondContact NE1-O 2.78Å; W261-P278 VanDerWaalsContact NE1-C 3.29Å; W261-P278 PolarHBondContact NE1-O 3.48Å; W261-Y279 AromaticContact CD2-CD2 3.85Å; W261-Y279 HydrophobicContact CD2-CD2 3.85Å; W261-Y279 AromaticContact CE3-CD2 3.92Å; W261-Y279 HydrophobicContact CE3-CD2 3.92Å; W261-Y279 HydrophobicContact CE3-CE2 4.41Å; W261-Y279 HydrophobicContact CG-CD2 4.34Å; W261-Y279 HydrophobicContact CZ2-CD2 4.49Å; W261-Y279 HydrophobicContact CZ3-CD2 4.27Å; W261-Y279 VanDerWaalsContact NE1-N 3.2Å; W261-P280 HydrophobicContact CH2-CG 4.43Å; W261-P280 HydrophobicContact CZ2-CG 4.39Å
262	K	98.1	Very high	97.7	Very high	118 Å²	118	49.2 Å²	49.2	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-53.4	-59.6	-164.5	-179.7	175.9	-179.7	-176.5	0	113.7	L264 C265 E266 I272	K262-L264 VanDerWaalsContact C-N 3.29Å; K262-L264 PolarHBondContact O-N 3.28Å; K262-C265 PolarHBondContact O-N 2.62Å; K262-E266 WeakPolarHBondContact CE-OE1 3.33Å; K262-E266 HydrophobicContact CG-CG 4.45Å; K262-E266 WeakPolarHBondContact CG-OE1 3.46Å; K262-E266 IonicContact NZ-OE1 2.92Å; K262-E266 WeakPolarHBondContact O-CB 3.38Å; K262-E266 WeakPolarHBondContact O-CG 3.29Å; K262-E266 PolarHBondContact O-N 3.34Å; K262-I272 HydrophobicContact CB-CD1 4.12Å; K262-I272 HydrophobicContact CG-CD1 3.94Å
263	P	98.4	Very high	97.6	Very high	28 Å²	28	49 Å²	49	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-66.3	-32.3	-177.5	27.8	-36.6	0	0	0	112.4	L253 F255 Q259 F267	L253-P263 HydrophobicContact CD1-CB 4.42Å; F255-P263 HydrophobicContact CD2-CG 4.02Å; F255-P263 HydrophobicContact CE2-CG 3.8Å; Q259-P263 HydrophobicContact CB-CG 3.76Å; P263-F267 WeakPolarHBondContact O-CB 3.35Å; P263-F267 PolarHBondContact O-N 3.09Å
264	L	98.6	Very high	97.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-47	177.1	-178.4	64.6	0	0	0	111.5	L86 A89 L90 L93 I166 L253 F255 W261 K262 L268 Y279	L86-L264 HydrophobicContact CD1-CD1 3.91Å; L86-L264 HydrophobicContact CD1-CD2 4.09Å; A89-L264 HydrophobicContact CB-CD2 3.78Å; L90-L264 HydrophobicContact CD2-CD1 4.49Å; L93-L264 HydrophobicContact CD1-CD2 4.07Å; L93-L264 HydrophobicContact CD1-CG 4.17Å; I166-L264 HydrophobicContact CD1-CD1 3.49Å; I166-L264 VanDerWaalsContact CD1-CD1 3.49Å; L253-L264 HydrophobicContact CD2-CD1 4.27Å; F255-L264 HydrophobicContact CE2-CB 4.33Å; F255-L264 HydrophobicContact CZ-CB 4.5Å; W261-L264 HydrophobicContact CE3-CD2 4.37Å; W261-L264 HydrophobicContact CZ3-CD2 4.36Å; W261-L264 PolarHBondContact O-N 2.91Å; K262-L264 VanDerWaalsContact C-N 3.29Å; K262-L264 PolarHBondContact O-N 3.28Å; L264-L268 HydrophobicContact CD1-CD1 3.62Å; L264-L268 HydrophobicContact CD1-CG 4.19Å; L264-L268 HydrophobicContact CG-CD1 4.02Å; L264-L268 WeakPolarHBondContact O-CB 3.45Å; L264-L268 VanDerWaalsContact O-CG 3.28Å; L264-L268 WeakPolarHBondContact O-CG 3.27Å; L264-L268 PolarHBondContact O-N 3.02Å; L264-Y279 HydrophobicContact CD2-CE2 3.98Å
265	C	98.6	Very high	97.1	Very high	0 Å²	0	55 Å²	55	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-45.6	179.3	-75.2	0	0	0	0	111.9	W261 K262 L268 G269 F270 I272	W261-C265 WeakPolarHBondContact O-CB 3.36Å; W261-C265 PolarHBondContact O-N 3.44Å; W261-C265 PolarHBondContact O-SG 2.98Å; K262-C265 PolarHBondContact O-N 2.62Å; C265-L268 PolarHBondContact O-N 3.23Å; C265-G269 WeakPolarHBondContact O-CA 3.43Å; C265-G269 PolarHBondContact O-N 3.22Å; C265-F270 WeakPolarHBondContact CB-O 3.37Å; C265-F270 PolarHBondContact O-N 3.29Å; C265-I272 HydrophobicContact CB-CG1 3.95Å
266	E	98.4	Very high	96.9	Very high	122 Å²	122	61.1 Å²	61.1	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-59.5	-47.5	175.5	-73.9	173.1	173.7	0	0	111.1	K262 L268 G269	K262-E266 WeakPolarHBondContact CE-OE1 3.33Å; K262-E266 HydrophobicContact CG-CG 4.45Å; K262-E266 WeakPolarHBondContact CG-OE1 3.46Å; K262-E266 IonicContact NZ-OE1 2.92Å; K262-E266 WeakPolarHBondContact O-CB 3.38Å; K262-E266 WeakPolarHBondContact O-CG 3.29Å; K262-E266 PolarHBondContact O-N 3.34Å; E266-L268 PolarHBondContact O-N 2.71Å; E266-G269 PolarHBondContact O-N 3.1Å
267	F	98.6	Very high	96.9	Very high	34 Å²	34	61.2 Å²	61.2	15%	0.149	36%	0.357	C	S	.	.	H	α-helix	trans	-64	-40.1	179	178	-114.7	0	0	0	112.6	K164 I166 R251 L253 P263	K164-F267 HydrophobicContact CB-CE1 3.62Å; K164-F267 HydrophobicContact CB-CZ 3.77Å; K164-F267 HydrophobicContact CD-CD1 4.27Å; K164-F267 HydrophobicContact CD-CE1 3.95Å; K164-F267 HydrophobicContact CD-CE2 4.43Å; K164-F267 HydrophobicContact CD-CZ 4.03Å; K164-F267 WeakPolarHBondContact CE-O 3.31Å; K164-F267 HydrophobicContact CG-CE1 4.17Å; K164-F267 HydrophobicContact CG-CZ 4.04Å; K164-F267 PolarHBondContact NZ-O 2.71Å; I166-F267 HydrophobicContact CG1-CD1 4.39Å; I166-F267 HydrophobicContact CG1-CE1 3.97Å; R251-F267 WeakPolarHBondContact O-CZ 3.29Å; L253-F267 HydrophobicContact CB-CB 4.38Å; L253-F267 HydrophobicContact CB-CD1 3.46Å; L253-F267 VanDerWaalsContact CB-CD1 3.46Å; L253-F267 HydrophobicContact CB-CD2 3.98Å; L253-F267 HydrophobicContact CB-CE1 3.51Å; L253-F267 HydrophobicContact CB-CE2 4.05Å; L253-F267 HydrophobicContact CB-CG 3.68Å; L253-F267 HydrophobicContact CB-CZ 3.81Å; L253-F267 HydrophobicContact CD1-CB 4.28Å; L253-F267 HydrophobicContact CD1-CG 4.4Å; L253-F267 HydrophobicContact CD2-CB 3.94Å; L253-F267 HydrophobicContact CD2-CD1 3.83Å; L253-F267 HydrophobicContact CD2-CG 4.05Å; L253-F267 HydrophobicContact CG-CB 4.42Å; L253-F267 HydrophobicContact CG-CD1 4.2Å; L253-F267 HydrophobicContact CG-CG 4.24Å; P263-F267 WeakPolarHBondContact O-CB 3.35Å; P263-F267 PolarHBondContact O-N 3.09Å
268	L	98	Very high	96.9	Very high	13 Å²	13	65.3 Å²	65.3	7%	0.068	38%	0.383	C	S	.	.	H	α-helix	trans	-86.8	-13.8	-177.6	-64.9	178.7	0	0	0	113.9	V73 L90 L93 Y94 K164 I166 L264 C265 E266 F270	V73-L268 HydrophobicContact CG2-CD1 4.38Å; V73-L268 HydrophobicContact CG2-CD2 3.64Å; L90-L268 HydrophobicContact CD2-CD1 3.57Å; L93-L268 HydrophobicContact CD1-CD1 4.12Å; Y94-L268 HydrophobicContact CE2-CD1 4.16Å; K164-L268 HydrophobicContact CB-CD2 4.19Å; K164-L268 HydrophobicContact CD-CD2 3.8Å; I166-L268 HydrophobicContact CD1-CD2 4.46Å; L264-L268 HydrophobicContact CD1-CD1 3.62Å; L264-L268 HydrophobicContact CD1-CG 4.19Å; L264-L268 HydrophobicContact CG-CD1 4.02Å; L264-L268 WeakPolarHBondContact O-CB 3.45Å; L264-L268 VanDerWaalsContact O-CG 3.28Å; L264-L268 WeakPolarHBondContact O-CG 3.27Å; L264-L268 PolarHBondContact O-N 3.02Å; C265-L268 PolarHBondContact O-N 3.23Å; E266-L268 PolarHBondContact O-N 2.71Å; L268-F270 HydrophobicContact CB-CD2 3.67Å; L268-F270 HydrophobicContact CB-CE2 4.08Å
269	G	97.2	Very high	97.1	Very high	67 Å²	67	61.2 Å²	61.2	69%	0.691	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	29.3	-178	0	0	0	0	0	114	C265 E266	C265-G269 WeakPolarHBondContact O-CA 3.43Å; C265-G269 PolarHBondContact O-N 3.22Å; E266-G269 PolarHBondContact O-N 3.1Å
270	F	98.3	Very high	97	Very high	61 Å²	61	57.7 Å²	57.7	27%	0.268	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-103.3	151.4	176.2	-75.4	-85.9	0	0	0	111.7	L93 Y94 C265 L268	L93-F270 HydrophobicContact CB-CD1 4.35Å; L93-F270 HydrophobicContact CB-CD2 4.25Å; L93-F270 HydrophobicContact CB-CE1 4.41Å; L93-F270 HydrophobicContact CB-CE2 4.31Å; L93-F270 HydrophobicContact CB-CG 4.27Å; L93-F270 HydrophobicContact CB-CZ 4.39Å; L93-F270 HydrophobicContact CD1-CD2 4.35Å; L93-F270 HydrophobicContact CD2-CB 3.99Å; L93-F270 HydrophobicContact CD2-CD1 4.49Å; L93-F270 HydrophobicContact CD2-CG 4.16Å; L93-F270 WeakPolarHBondContact O-CE1 3.4Å; Y94-F270 HydrophobicContact CD1-CE2 4.28Å; Y94-F270 AromaticContact CD1-CZ 3.77Å; Y94-F270 HydrophobicContact CD1-CZ 3.77Å; Y94-F270 HydrophobicContact CD2-CE2 4.38Å; Y94-F270 HydrophobicContact CD2-CZ 4.41Å; Y94-F270 AromaticContact CE1-CE2 3.8Å; Y94-F270 HydrophobicContact CE1-CE2 3.8Å; Y94-F270 AromaticContact CE1-CZ 3.66Å; Y94-F270 HydrophobicContact CE1-CZ 3.66Å; Y94-F270 AromaticContact CE2-CE2 3.9Å; Y94-F270 HydrophobicContact CE2-CE2 3.9Å; Y94-F270 HydrophobicContact CE2-CZ 4.3Å; Y94-F270 HydrophobicContact CG-CZ 4.16Å; Y94-F270 AromaticContact CZ-CE2 3.59Å; Y94-F270 AromaticContact CZ-CZ 3.94Å; C265-F270 WeakPolarHBondContact CB-O 3.37Å; C265-F270 PolarHBondContact O-N 3.29Å; L268-F270 HydrophobicContact CB-CD2 3.67Å; L268-F270 HydrophobicContact CB-CE2 4.08Å
271	P	97.7	Very high	96.7	Very high	109 Å²	109	62.5 Å²	62.5	71%	0.708	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-62.6	142.6	166.7	28.1	-33.8	0	0	0	110.2
272	I	97.8	Very high	96	Very high	90 Å²	90	65.3 Å²	65.3	46%	0.462	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-65.6	131.6	173.2	-59.7	173.7	0	0	0	108.1	W261 K262 C265	W261-I272 HydrophobicContact CB-CG2 4.1Å; K262-I272 HydrophobicContact CB-CD1 4.12Å; K262-I272 HydrophobicContact CG-CD1 3.94Å; C265-I272 HydrophobicContact CB-CG1 3.95Å
273	P	97.3	Very high	94.9	Very high	15 Å²	15	61.6 Å²	61.6	10%	0.097	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-58.8	156	177.5	-27.2	37.5	0	0	0	112.9	Y92 W261 I277	Y92-P273 HydrophobicContact CD1-CG 4.39Å; Y92-P273 HydrophobicContact CE1-CB 4.14Å; Y92-P273 HydrophobicContact CE1-CG 3.73Å; W261-P273 HydrophobicContact CD2-CG 3.69Å; W261-P273 HydrophobicContact CE3-CG 4.07Å; W261-P273 HydrophobicContact CG-CG 3.94Å; W261-P273 HydrophobicContact CZ2-CG 4.19Å; W261-P273 HydrophobicContact CZ3-CG 4.47Å; P273-I277 HydrophobicContact CB-CB 4.26Å; P273-I277 HydrophobicContact CB-CG2 4.41Å
274	P	95.1	Very high	94	Very high	75 Å²	75	66.1 Å²	66.1	49%	0.487	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-50.6	149.4	170	-29.5	37.9	0	0	0	113	D276 I277	P274-D276 WeakPolarHBondContact CB-OD1 3.18Å; P274-D276 PolarHBondContact O-N 3.36Å; P274-D276 VanDerWaalsContact O-N 3.13Å; P274-I277 PolarHBondContact O-N 3.5Å
275	S	92.7	Very high	93.2	Very high	129 Å²	129	71.3 Å²	71.3	90%	0.902	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.5	-174.1	53	0	0	0	0	114.6	I277	S275-I277 VanDerWaalsContact C-N 3.26Å
276	D	94.9	Very high	92.4	Very high	127 Å²	127	74 Å²	74	68%	0.679	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.4	174.4	59.8	-55.4	0	0	0	113.5	P274 P278	P274-D276 WeakPolarHBondContact CB-OD1 3.18Å; P274-D276 PolarHBondContact O-N 3.36Å; P274-D276 VanDerWaalsContact O-N 3.13Å; D276-P278 WeakPolarHBondContact O-CD 3.37Å
277	I	95.8	Very high	91.7	Very high	52 Å²	52	71.3 Å²	71.3	27%	0.267	41%	0.409	S	S	.	.	S	Bend	trans	-107.9	89.1	177	-55.5	-178.7	0	0	0	108.9	Y92 W261 P273 P274 S275	Y92-I277 HydrophobicContact CE2-CD1 4.24Å; Y92-I277 HydrophobicContact CE2-CG2 4.01Å; Y92-I277 WeakPolarHBondContact OH-CD1 3.44Å; W261-I277 PolarHBondContact NE1-O 2.78Å; P273-I277 HydrophobicContact CB-CB 4.26Å; P273-I277 HydrophobicContact CB-CG2 4.41Å; P274-I277 PolarHBondContact O-N 3.5Å; S275-I277 VanDerWaalsContact C-N 3.26Å
278	P	95.3	Very high	90.9	Very high	100 Å²	100	71.2 Å²	71.2	65%	0.649	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-67.1	157.7	-179.8	29.4	-36	0	0	0	111.5	W261 D276	W261-P278 VanDerWaalsContact NE1-C 3.29Å; W261-P278 PolarHBondContact NE1-O 3.48Å; D276-P278 WeakPolarHBondContact O-CD 3.37Å
279	Y	96.8	Very high	90.4	Very high	9 Å²	9	73.6 Å²	73.6	4%	0.035	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-60.2	137.6	170.9	-176.6	-95.5	0	0	0	109.6	L86 A89 F255 W261 L264 H281	L86-Y279 WeakPolarHBondContact CA-OH 3.2Å; L86-Y279 PolarHBondContact N-OH 2.96Å; A89-Y279 HydrophobicContact CB-CD2 4.23Å; A89-Y279 HydrophobicContact CB-CE2 3.45Å; A89-Y279 VanDerWaalsContact CB-CE2 3.45Å; F255-Y279 HydrophobicContact CE1-CE1 4.4Å; F255-Y279 HydrophobicContact CE1-CE2 4.19Å; F255-Y279 AromaticContact CE1-CZ 3.72Å; F255-Y279 VanDerWaalsContact CE1-OH 3.3Å; F255-Y279 WeakPolarHBondContact CE1-OH 3.5Å; F255-Y279 HydrophobicContact CZ-CE1 4.39Å; F255-Y279 AromaticContact CZ-CE2 3.89Å; F255-Y279 HydrophobicContact CZ-CE2 3.89Å; F255-Y279 AromaticContact CZ-CZ 3.79Å; W261-Y279 AromaticContact CD2-CD2 3.85Å; W261-Y279 HydrophobicContact CD2-CD2 3.85Å; W261-Y279 AromaticContact CE3-CD2 3.92Å; W261-Y279 HydrophobicContact CE3-CD2 3.92Å; W261-Y279 HydrophobicContact CE3-CE2 4.41Å; W261-Y279 HydrophobicContact CG-CD2 4.34Å; W261-Y279 HydrophobicContact CZ2-CD2 4.49Å; W261-Y279 HydrophobicContact CZ3-CD2 4.27Å; W261-Y279 VanDerWaalsContact NE1-N 3.2Å; L264-Y279 HydrophobicContact CD2-CE2 3.98Å; Y279-H281 PolarHBondContact O-CD2 3.01Å; Y279-H281 PolarHBondContact O-N 3.44Å
280	P	94.7	Very high	89.9	Confident	27 Å²	27	75.4 Å²	75.4	18%	0.175	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-62.4	121.2	-178.8	-22.5	33.5	0	0	0	111	S85 F88 A89 W261 L282	S85-P280 WeakPolarHBondContact CB-O 3.33Å; S85-P280 PolarHBondContact OG-O 3.38Å; F88-P280 HydrophobicContact CB-CB 4.14Å; F88-P280 HydrophobicContact CB-CG 4.15Å; A89-P280 HydrophobicContact CB-CG 4.34Å; W261-P280 HydrophobicContact CH2-CG 4.43Å; W261-P280 HydrophobicContact CZ2-CG 4.39Å; P280-L282 HydrophobicContact CB-CD1 4.22Å; P280-L282 HydrophobicContact CB-CG 4.46Å
281	H	89.5	Confident	89.3	Confident	116 Å²	116	75.6 Å²	75.6	54%	0.537	42%	0.421	S	S	.	.			trans	-108.6	93.4	170.4	-69.3	-78.6	0	0	0	108.7	S257 Y279	S257-H281 PolarHBondContact O-CE1 3.3Å; Y279-H281 PolarHBondContact O-CD2 3.01Å; Y279-H281 PolarHBondContact O-N 3.44Å
282	L	83.9	Confident	88.8	Confident	80 Å²	80	71.7 Å²	71.7	42%	0.419	39%	0.394	S	S	.	.			trans	-121.7	166.4	-173.2	-68.5	171.1	0	0	0	111.4	T84 S85 F88 P280	T84-L282 HydrophobicContact CG2-CB 4.13Å; S85-L282 PolarHBondContact OG-N 2.92Å; F88-L282 HydrophobicContact CB-CD1 4.09Å; F88-L282 HydrophobicContact CD1-CD1 4.41Å; F88-L282 HydrophobicContact CD2-CD1 3.11Å; F88-L282 HydrophobicContact CE2-CD1 3.42Å; F88-L282 VanDerWaalsContact CE2-CD1 3.42Å; F88-L282 HydrophobicContact CG-CD1 3.64Å; F88-L282 HydrophobicContact CZ-CD1 4.16Å; P280-L282 HydrophobicContact CB-CD1 4.22Å; P280-L282 HydrophobicContact CB-CG 4.46Å
283	N	75.9	Confident	88.3	Confident	39 Å²	39	70.7 Å²	70.7	21%	0.209	39%	0.39	C	S	.	.			trans	66.8	37.8	174.4	-155.6	12.5	0	0	0	114.5	R80 T84 M288	R80-N283 PolarHBondContact NH1-ND2 3.3Å; R80-N283 VanDerWaalsContact NH1-ND2 3.11Å; R80-N283 PolarHBondContact NH1-O 2.98Å; R80-N283 PolarHBondContact NH1-OD1 2.99Å; R80-N283 PolarHBondContact NH2-O 2.87Å; T84-N283 HydrophobicContact CG2-CB 4.02Å; T84-N283 PolarHBondContact OG1-ND2 3.35Å; N283-M288 VanDerWaalsContact ND2-CE 3.28Å; N283-M288 WeakPolarHBondContact ND2-CE 3.43Å; N283-M288 VanDerWaalsContact OD1-CE 3.31Å; N283-M288 WeakPolarHBondContact OD1-CE 3.45Å
284	E	78.5	Confident	87.9	Confident	124 Å²	124	77.1 Å²	77.1	58%	0.579	42%	0.416	S	S	*	.			trans	-49.5	148.1	164.9	-65.4	-175	179.8	0	0	111.3	S286 T287 M288	E284-S286 VanDerWaalsContact C-N 3.25Å; E284-S286 PolarHBondContact O-N 3.02Å; E284-T287 PolarHBondContact O-N 3.44Å; E284-T287 VanDerWaalsContact O-N 3.11Å; E284-M288 PolarHBondContact O-N 3.09Å
285	R	81.4	Confident	87.5	Confident	108 Å²	108	76.9 Å²	76.9	41%	0.408	41%	0.41	S	S	.	.	H	α-helix	trans	-52.4	-45.1	-176.9	-175.9	-171.5	-70	140.4	2	111.7	A181 T182 M288 I289	A181-R285 HydrophobicContact CB-CG 3.89Å; T182-R285 HydrophobicContact CG2-CG 3.87Å; R285-M288 PolarHBondContact O-N 3.39Å; R285-I289 HydrophobicContact CG-CD1 4.01Å; R285-I289 VanDerWaalsContact O-CG1 3.31Å; R285-I289 WeakPolarHBondContact O-CG1 3.31Å; R285-I289 PolarHBondContact O-N 3.48Å
286	S	83.3	Confident	87.2	Confident	56 Å²	56	72.2 Å²	72.2	39%	0.392	37%	0.374	S	S	.	.	H	α-helix	trans	-57.6	-49.8	177.7	51.3	0	0	0	0	112.2	E284 M288 I289 Q290	E284-S286 VanDerWaalsContact C-N 3.25Å; E284-S286 PolarHBondContact O-N 3.02Å; S286-M288 VanDerWaalsContact C-N 3.31Å; S286-M288 PolarHBondContact O-N 3.5Å; S286-I289 PolarHBondContact O-N 2.99Å; S286-Q290 VanDerWaalsContact O-CG 3.31Å; S286-Q290 WeakPolarHBondContact O-CG 3.42Å; S286-Q290 PolarHBondContact O-N 3.42Å
287	T	82.7	Confident	87.1	Confident	66 Å²	66	73.5 Å²	73.5	41%	0.405	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-38.8	178.6	-57.8	0	0	0	0	111.7	E284 Q290 S291	E284-T287 PolarHBondContact O-N 3.44Å; E284-T287 VanDerWaalsContact O-N 3.11Å; T287-Q290 PolarHBondContact O-N 3.49Å; T287-S291 WeakPolarHBondContact O-CB 3.46Å; T287-S291 PolarHBondContact O-N 3.08Å; T287-S291 PolarHBondContact O-OG 3.1Å
288	M	82.9	Confident	87	Confident	32 Å²	32	73.4 Å²	73.4	16%	0.158	37%	0.372	C	S	.	.	H	α-helix	trans	-67.3	-44.9	175.5	-172.2	168.7	-104.7	0	0	112.2	R80 T182 T183 N283 E284 R285 S286 Q290 S291 I292	R80-M288 VanDerWaalsContact CD-SD 3.56Å; R80-M288 PolarHBondContact NH1-SD 2.91Å; T182-M288 WeakPolarHBondContact CB-SD 3.46Å; T182-M288 HydrophobicContact CG2-CB 3.89Å; T182-M288 HydrophobicContact CG2-CG 3.86Å; T182-M288 HydrophobicContact CG2-SD 3.79Å; T182-M288 PolarHBondContact OG1-SD 3.42Å; T183-M288 HydrophobicContact CG2-CE 4.12Å; T183-M288 HydrophobicContact CG2-SD 3.96Å; N283-M288 VanDerWaalsContact ND2-CE 3.28Å; N283-M288 WeakPolarHBondContact ND2-CE 3.43Å; N283-M288 VanDerWaalsContact OD1-CE 3.31Å; N283-M288 WeakPolarHBondContact OD1-CE 3.45Å; E284-M288 PolarHBondContact O-N 3.09Å; R285-M288 PolarHBondContact O-N 3.39Å; S286-M288 VanDerWaalsContact C-N 3.31Å; S286-M288 PolarHBondContact O-N 3.5Å; M288-Q290 VanDerWaalsContact C-N 3.3Å; M288-Q290 PolarHBondContact O-N 3Å; M288-S291 PolarHBondContact O-N 3.36Å; M288-S291 VanDerWaalsContact O-N 3.13Å; M288-I292 HydrophobicContact CG-CD1 4.06Å; M288-I292 WeakPolarHBondContact O-CG1 3.43Å; M288-I292 PolarHBondContact O-N 3.35Å
289	I	86.3	Confident	86.9	Confident	64 Å²	64	68.7 Å²	68.7	33%	0.328	34%	0.342	S	S	.	.	H	α-helix	trans	-58.5	-43.9	174.7	-68.9	168.4	0	0	0	110.7	T182 R285 S286 S291 I292 N293	T182-I289 HydrophobicContact CG2-CG1 4.04Å; R285-I289 HydrophobicContact CG-CD1 4.01Å; R285-I289 VanDerWaalsContact O-CG1 3.31Å; R285-I289 WeakPolarHBondContact O-CG1 3.31Å; R285-I289 PolarHBondContact O-N 3.48Å; S286-I289 PolarHBondContact O-N 2.99Å; I289-S291 VanDerWaalsContact C-N 3.31Å; I289-S291 PolarHBondContact O-N 2.85Å; I289-I292 PolarHBondContact O-N 3.24Å; I289-N293 VanDerWaalsContact O-CB 3.32Å; I289-N293 WeakPolarHBondContact O-CB 3.38Å; I289-N293 PolarHBondContact O-N 2.96Å; I289-N293 PolarHBondContact O-ND2 3.02Å
290	Q	88	Confident	86.8	Confident	104 Å²	104	72.3 Å²	72.3	49%	0.486	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-40	176.7	-72	177.5	25.1	0	0	111.9	S286 T287 M288 N293 K294	S286-Q290 VanDerWaalsContact O-CG 3.31Å; S286-Q290 WeakPolarHBondContact O-CG 3.42Å; S286-Q290 PolarHBondContact O-N 3.42Å; T287-Q290 PolarHBondContact O-N 3.49Å; M288-Q290 VanDerWaalsContact C-N 3.3Å; M288-Q290 PolarHBondContact O-N 3Å; Q290-N293 PolarHBondContact O-N 3.37Å; Q290-K294 WeakPolarHBondContact O-CB 3.34Å; Q290-K294 VanDerWaalsContact O-CG 3.29Å; Q290-K294 WeakPolarHBondContact O-CG 3.37Å; Q290-K294 PolarHBondContact O-N 3.29Å
291	S	86	Confident	86.8	Confident	66 Å²	66	78 Å²	78	46%	0.462	37%	0.374	S	S	.	.	H	α-helix	trans	-66.8	-44.6	179.8	-58.7	0	0	0	0	111.6	T287 M288 I289 N293 K294 L295	T287-S291 WeakPolarHBondContact O-CB 3.46Å; T287-S291 PolarHBondContact O-N 3.08Å; T287-S291 PolarHBondContact O-OG 3.1Å; M288-S291 PolarHBondContact O-N 3.36Å; M288-S291 VanDerWaalsContact O-N 3.13Å; I289-S291 VanDerWaalsContact C-N 3.31Å; I289-S291 PolarHBondContact O-N 2.85Å; S291-N293 VanDerWaalsContact C-N 3.34Å; S291-N293 PolarHBondContact O-N 3.34Å; S291-K294 PolarHBondContact O-N 2.9Å; S291-L295 WeakPolarHBondContact O-CB 3.39Å; S291-L295 PolarHBondContact O-N 3.5Å
292	I	85.8	Confident	87.1	Confident	27 Å²	27	74.6 Å²	74.6	14%	0.138	36%	0.359	C	S	.	.	H	α-helix	trans	-59.1	-47	172.9	-66.9	162	0	0	0	110.2	L188 M288 I289 K294 L295 Q296	L188-I292 HydrophobicContact CD1-CD1 3.84Å; L188-I292 HydrophobicContact CD1-CG1 4.31Å; L188-I292 HydrophobicContact CD2-CG1 4.45Å; L188-I292 HydrophobicContact CD2-CG2 3.81Å; L188-I292 HydrophobicContact CG-CD1 4.41Å; L188-I292 HydrophobicContact CG-CG2 4.31Å; M288-I292 HydrophobicContact CG-CD1 4.06Å; M288-I292 WeakPolarHBondContact O-CG1 3.43Å; M288-I292 PolarHBondContact O-N 3.35Å; I289-I292 PolarHBondContact O-N 3.24Å; I292-K294 PolarHBondContact O-N 3.32Å; I292-L295 PolarHBondContact O-N 2.85Å; I292-Q296 PolarHBondContact O-N 3.41Å
293	N	88	Confident	87.6	Confident	69 Å²	69	72.6 Å²	72.6	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-40.2	179.6	-86.8	-40.3	0	0	0	113.1	I289 Q290 S291 R297 R300	I289-N293 VanDerWaalsContact O-CB 3.32Å; I289-N293 WeakPolarHBondContact O-CB 3.38Å; I289-N293 PolarHBondContact O-N 2.96Å; I289-N293 PolarHBondContact O-ND2 3.02Å; Q290-N293 PolarHBondContact O-N 3.37Å; S291-N293 VanDerWaalsContact C-N 3.34Å; S291-N293 PolarHBondContact O-N 3.34Å; N293-R297 VanDerWaalsContact O-CB 3.28Å; N293-R297 WeakPolarHBondContact O-CB 3.26Å; N293-R297 PolarHBondContact O-N 3.23Å; N293-R300 PolarHBondContact O-NH2 3.38Å
294	K	88.9	Confident	88.5	Confident	149 Å²	149	78 Å²	78	65%	0.648	37%	0.366	S	S	*	.	H	α-helix	trans	-63.5	-43.4	175	-76.4	175.2	-177.6	178.4	0	111	Q290 S291 I292 P298	Q290-K294 WeakPolarHBondContact O-CB 3.34Å; Q290-K294 VanDerWaalsContact O-CG 3.29Å; Q290-K294 WeakPolarHBondContact O-CG 3.37Å; Q290-K294 PolarHBondContact O-N 3.29Å; S291-K294 PolarHBondContact O-N 2.9Å; I292-K294 PolarHBondContact O-N 3.32Å; K294-P298 WeakPolarHBondContact O-CD 3.33Å
295	L	85.5	Confident	89.3	Confident	71 Å²	71	78.1 Å²	78.1	37%	0.372	37%	0.365	S	S	.	.	H	α-helix	trans	-63.3	-41.2	179.5	-174.1	63.7	0	0	0	112.5	L205 S291 I292	L205-L295 HydrophobicContact CD1-CD1 4.06Å; S291-L295 WeakPolarHBondContact O-CB 3.39Å; S291-L295 PolarHBondContact O-N 3.5Å; I292-L295 PolarHBondContact O-N 2.85Å
296	Q	87.7	Confident	89.9	Confident	31 Å²	31	76 Å²	76	15%	0.145	36%	0.361	C	S	.	.	H	α-helix	trans	-86.6	-16.9	-177.2	-68.7	-178.3	-28.1	0	0	114.6	T187 I292 G299 R300	T187-Q296 PolarHBondContact O-NE2 3.34Å; T187-Q296 VanDerWaalsContact O-NE2 3.14Å; I292-Q296 PolarHBondContact O-N 3.41Å; Q296-G299 PolarHBondContact O-N 2.99Å; Q296-R300 PolarHBondContact O-N 2.88Å
297	R	93.2	Very high	90.4	Very high	154 Å²	154	76.5 Å²	76.5	58%	0.581	36%	0.364	S	S	*	.	H	α-helix	trans	-55.5	-44.8	-175.4	-178.5	178.4	-173.9	-169.5	-0.8	113.1	N293 R300 W301	N293-R297 VanDerWaalsContact O-CB 3.28Å; N293-R297 WeakPolarHBondContact O-CB 3.26Å; N293-R297 PolarHBondContact O-N 3.23Å; R297-R300 PolarHBondContact O-N 3.39Å; R297-W301 VanDerWaalsContact O-CD1 3.27Å; R297-W301 PolarHBondContact O-N 3.35Å; R297-W301 VanDerWaalsContact O-N 3.09Å
298	P	93.2	Very high	90.9	Very high	50 Å²	50	77.4 Å²	77.4	33%	0.325	37%	0.365	S	S	.	.	H	α-helix	trans	-63.3	-42.2	177.8	-22.5	34.7	0	0	0	112.8	M199 K294 R300 W301 I302	M199-P298 HydrophobicContact CG-CB 3.91Å; M199-P298 HydrophobicContact SD-CB 3.5Å; M199-P298 VanDerWaalsContact SD-CB 3.5Å; M199-P298 HydrophobicContact SD-CG 4.23Å; K294-P298 WeakPolarHBondContact O-CD 3.33Å; P298-R300 VanDerWaalsContact C-N 3.32Å; P298-R300 PolarHBondContact O-N 2.86Å; P298-W301 WeakPolarHBondContact O-CB 3.49Å; P298-W301 PolarHBondContact O-N 2.88Å; P298-W301 VanDerWaalsContact O-N 3.1Å; P298-I302 WeakPolarHBondContact O-CG1 3.38Å; P298-I302 PolarHBondContact O-N 3.24Å
299	G	93.1	Very high	91.4	Very high	1 Å²	1	77.2 Å²	77.2	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-58.5	-43.1	175.8	0	0	0	0	0	112.2	Q296 W301 I302 N303	Q296-G299 PolarHBondContact O-N 2.99Å; G299-W301 PolarHBondContact O-N 3.3Å; G299-I302 PolarHBondContact O-N 2.95Å; G299-N303 VanDerWaalsContact O-CG 3.27Å; G299-N303 PolarHBondContact O-N 3.27Å; G299-N303 PolarHBondContact O-ND2 3.28Å
300	R	93.8	Very high	91.6	Very high	84 Å²	84	81.8 Å²	81.8	32%	0.317	38%	0.38	S	S	.	.	H	α-helix	trans	-61.6	-39.1	173.5	-68	-166.4	-64.8	-100.2	4.3	113.4	N293 Q296 R297 P298 N303 R304	N293-R300 PolarHBondContact O-NH2 3.38Å; Q296-R300 PolarHBondContact O-N 2.88Å; R297-R300 PolarHBondContact O-N 3.39Å; P298-R300 VanDerWaalsContact C-N 3.32Å; P298-R300 PolarHBondContact O-N 2.86Å; R300-N303 PolarHBondContact O-N 2.82Å; R300-R304 WeakPolarHBondContact O-CG 3.31Å; R300-R304 PolarHBondContact O-N 3.25Å
301	W	95.6	Very high	91.9	Very high	148 Å²	148	84 Å²	84	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-64.7	-42.3	174.3	-84.6	111.1	0	0	0	112.1	R297 P298 G299 R304 F305	R297-W301 VanDerWaalsContact O-CD1 3.27Å; R297-W301 PolarHBondContact O-N 3.35Å; R297-W301 VanDerWaalsContact O-N 3.09Å; P298-W301 WeakPolarHBondContact O-CB 3.49Å; P298-W301 PolarHBondContact O-N 2.88Å; P298-W301 VanDerWaalsContact O-N 3.1Å; G299-W301 PolarHBondContact O-N 3.3Å; W301-R304 PolarHBondContact O-N 3.38Å; W301-F305 WeakPolarHBondContact O-CB 3.4Å; W301-F305 PolarHBondContact O-N 3.42Å
302	I	95.3	Very high	92.1	Very high	44 Å²	44	86.2 Å²	86.2	23%	0.226	39%	0.391	C	S	.	.	H	α-helix	trans	-60.6	-46.6	174.7	-64.8	166	0	0	0	110.1	I198 M199 P298 G299 R304 F305 L306	I198-I302 HydrophobicContact CB-CD1 4.47Å; I198-I302 HydrophobicContact CD1-CG2 4.12Å; I198-I302 HydrophobicContact CG2-CD1 4.13Å; M199-I302 HydrophobicContact CB-CD1 4.4Å; P298-I302 WeakPolarHBondContact O-CG1 3.38Å; P298-I302 PolarHBondContact O-N 3.24Å; G299-I302 PolarHBondContact O-N 2.95Å; I302-R304 VanDerWaalsContact C-N 3.34Å; I302-R304 PolarHBondContact O-N 3.29Å; I302-F305 PolarHBondContact O-N 3.13Å; I302-L306 HydrophobicContact CG2-CD1 3.87Å; I302-L306 HydrophobicContact CG2-CG 4.22Å; I302-L306 WeakPolarHBondContact O-CB 3.47Å; I302-L306 VanDerWaalsContact O-CG 3.26Å; I302-L306 WeakPolarHBondContact O-CG 3.38Å; I302-L306 PolarHBondContact O-N 3.46Å
303	N	94.4	Very high	92.3	Very high	37 Å²	37	88 Å²	88	20%	0.198	40%	0.401	C	S	.	.	H	α-helix	trans	-58.6	-44.9	176.6	-64.1	-46.1	0	0	0	111.9	S193 G195 G299 R300 F305 L306 C307	S193-N303 WeakPolarHBondContact CB-OD1 3.43Å; S193-N303 PolarHBondContact OG-ND2 2.92Å; S193-N303 PolarHBondContact OG-OD1 3.47Å; G195-N303 VanDerWaalsContact CA-OD1 3.31Å; G195-N303 WeakPolarHBondContact CA-OD1 3.4Å; G195-N303 PolarHBondContact N-OD1 3.5Å; G299-N303 VanDerWaalsContact O-CG 3.27Å; G299-N303 PolarHBondContact O-N 3.27Å; G299-N303 PolarHBondContact O-ND2 3.28Å; R300-N303 PolarHBondContact O-N 2.82Å; N303-F305 PolarHBondContact O-N 2.85Å; N303-L306 PolarHBondContact O-N 3.3Å; N303-C307 PolarHBondContact O-N 2.83Å; N303-C307 PolarHBondContact O-SG 3.27Å
304	R	95.3	Very high	92.5	Very high	154 Å²	154	89.7 Å²	89.7	58%	0.581	41%	0.409	S	S	*	.	H	α-helix	trans	-61.4	-44.4	177.5	-74.3	174.7	178.5	-171.2	-2.6	111.6	R300 W301 I302 C307 I308	R300-R304 WeakPolarHBondContact O-CG 3.31Å; R300-R304 PolarHBondContact O-N 3.25Å; W301-R304 PolarHBondContact O-N 3.38Å; I302-R304 VanDerWaalsContact C-N 3.34Å; I302-R304 PolarHBondContact O-N 3.29Å; R304-C307 WeakPolarHBondContact O-CB 3.34Å; R304-C307 PolarHBondContact O-N 3.29Å; R304-I308 WeakPolarHBondContact O-CG1 3.25Å; R304-I308 PolarHBondContact O-N 2.91Å
305	F	95.2	Very high	92.6	Very high	126 Å²	126	85.9 Å²	85.9	55%	0.553	40%	0.399	S	S	*	.	H	α-helix	trans	-60.8	-46.7	175.7	177.3	-102.7	0	0	0	111.6	W301 I302 N303 C307 I308 C309	W301-F305 WeakPolarHBondContact O-CB 3.4Å; W301-F305 PolarHBondContact O-N 3.42Å; I302-F305 PolarHBondContact O-N 3.13Å; N303-F305 PolarHBondContact O-N 2.85Å; F305-C307 VanDerWaalsContact C-N 3.31Å; F305-C307 PolarHBondContact O-N 3.08Å; F305-I308 WeakPolarHBondContact O-CB 3.46Å; F305-I308 PolarHBondContact O-N 3.07Å; F305-I308 VanDerWaalsContact O-N 3.13Å; F305-C309 VanDerWaalsContact CZ-SG 3.58Å; F305-C309 PolarHBondContact O-N 3.31Å; F305-C309 PolarHBondContact O-SG 2.88Å
306	L	93.4	Very high	93	Very high	63 Å²	63	87.3 Å²	87.3	33%	0.33	41%	0.405	S	S	.	.	H	α-helix	trans	-61.8	-37.9	176.5	-68.1	174.2	0	0	0	112.3	L194 I302 N303 C309 R310	L194-L306 HydrophobicContact CD2-CD1 3.77Å; L194-L306 HydrophobicContact CG-CD1 4.04Å; I302-L306 HydrophobicContact CG2-CD1 3.87Å; I302-L306 HydrophobicContact CG2-CG 4.22Å; I302-L306 WeakPolarHBondContact O-CB 3.47Å; I302-L306 VanDerWaalsContact O-CG 3.26Å; I302-L306 WeakPolarHBondContact O-CG 3.38Å; I302-L306 PolarHBondContact O-N 3.46Å; N303-L306 PolarHBondContact O-N 3.3Å; L306-C309 PolarHBondContact O-N 3.04Å; L306-R310 WeakPolarHBondContact O-CB 3.49Å; L306-R310 PolarHBondContact O-N 3.42Å
307	C	94.1	Very high	93.2	Very high	66 Å²	66	91.5 Å²	91.5	45%	0.446	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-43.6	172.6	-71.9	0	0	0	0	111.9	N303 R304 F305 C309 R310 Y311	N303-C307 PolarHBondContact O-N 2.83Å; N303-C307 PolarHBondContact O-SG 3.27Å; R304-C307 WeakPolarHBondContact O-CB 3.34Å; R304-C307 PolarHBondContact O-N 3.29Å; F305-C307 VanDerWaalsContact C-N 3.31Å; F305-C307 PolarHBondContact O-N 3.08Å; C307-C309 VanDerWaalsContact C-N 3.35Å; C307-C309 PolarHBondContact O-N 2.94Å; C307-R310 PolarHBondContact O-N 3.03Å; C307-Y311 HydrophobicContact CB-CD2 4.37Å; C307-Y311 WeakPolarHBondContact O-CB 3.48Å; C307-Y311 VanDerWaalsContact O-CD2 3.25Å; C307-Y311 WeakPolarHBondContact O-CD2 3.34Å; C307-Y311 PolarHBondContact O-N 3.33Å
308	I	94	Very high	93.1	Very high	85 Å²	85	87.7 Å²	87.7	44%	0.436	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-45.1	175.3	-71	163.9	0	0	0	110.5	R304 F305 R310 L312 L313	R304-I308 WeakPolarHBondContact O-CG1 3.25Å; R304-I308 PolarHBondContact O-N 2.91Å; F305-I308 WeakPolarHBondContact O-CB 3.46Å; F305-I308 PolarHBondContact O-N 3.07Å; F305-I308 VanDerWaalsContact O-N 3.13Å; I308-R310 PolarHBondContact O-N 3.22Å; I308-L312 HydrophobicContact CG2-CD1 4.27Å; I308-L312 WeakPolarHBondContact O-CA 3.47Å; I308-L312 WeakPolarHBondContact O-CB 3.32Å; I308-L312 PolarHBondContact O-N 3.39Å; I308-L313 PolarHBondContact O-N 2.89Å
309	C	92.1	Very high	93	Very high	28 Å²	28	86.7 Å²	86.7	19%	0.189	42%	0.415	C	S	.	.	I	π-helix	trans	-59.4	-47.2	175.7	-66.1	0	0	0	0	111.5	F305 L306 C307 L313 I314	F305-C309 VanDerWaalsContact CZ-SG 3.58Å; F305-C309 PolarHBondContact O-N 3.31Å; F305-C309 PolarHBondContact O-SG 2.88Å; L306-C309 PolarHBondContact O-N 3.04Å; C307-C309 VanDerWaalsContact C-N 3.35Å; C307-C309 PolarHBondContact O-N 2.94Å; C309-L313 HydrophobicContact CB-CD1 4.5Å; C309-L313 PolarHBondContact O-N 2.88Å; C309-I314 WeakPolarHBondContact O-CG1 3.47Å; C309-I314 PolarHBondContact O-N 3.46Å
310	R	91.8	Very high	93	Very high	160 Å²	160	89.6 Å²	89.6	60%	0.604	43%	0.43	S	S	*	.	I	π-helix	trans	-64.7	-42	-178.2	178.5	176.3	167.3	83.7	1	113.3	L306 C307 I308 P315	L306-R310 WeakPolarHBondContact O-CB 3.49Å; L306-R310 PolarHBondContact O-N 3.42Å; C307-R310 PolarHBondContact O-N 3.03Å; I308-R310 PolarHBondContact O-N 3.22Å; R310-P315 WeakPolarHBondContact O-CD 3.37Å
311	Y	93	Very high	92.9	Very high	150 Å²	150	89.9 Å²	89.9	59%	0.588	44%	0.437	S	S	*	.	I	π-helix	trans	-104.3	-15	-168.9	-66.2	-64.5	0	0	0	114.7	C307	C307-Y311 HydrophobicContact CB-CD2 4.37Å; C307-Y311 WeakPolarHBondContact O-CB 3.48Å; C307-Y311 VanDerWaalsContact O-CD2 3.25Å; C307-Y311 WeakPolarHBondContact O-CD2 3.34Å; C307-Y311 PolarHBondContact O-N 3.33Å
312	L	91	Very high	92.7	Very high	113 Å²	113	86.2 Å²	86.2	59%	0.592	43%	0.433	S	S	*	.	I	π-helix	trans	-119	-56.3	178.5	-62	176.7	0	0	0	111.4	I308 M316	I308-L312 HydrophobicContact CG2-CD1 4.27Å; I308-L312 WeakPolarHBondContact O-CA 3.47Å; I308-L312 WeakPolarHBondContact O-CB 3.32Å; I308-L312 PolarHBondContact O-N 3.39Å; L312-M316 WeakPolarHBondContact O-CB 3.17Å; L312-M316 PolarHBondContact O-N 2.85Å; L312-M316 VanDerWaalsContact O-N 3.1Å
313	L	90.5	Very high	92.5	Very high	66 Å²	66	91.5 Å²	91.5	35%	0.346	46%	0.459	S	S	.	.	I	π-helix	trans	-70.3	-51.8	-171.8	-56.7	-178.5	0	0	0	111.7	I308 C309 M316 F317	I308-L313 PolarHBondContact O-N 2.89Å; C309-L313 HydrophobicContact CB-CD1 4.5Å; C309-L313 PolarHBondContact O-N 2.88Å; L313-M316 HydrophobicContact CD2-CE 4.43Å; L313-M316 PolarHBondContact O-N 3.22Å; L313-F317 HydrophobicContact CB-CD2 4.43Å; L313-F317 WeakPolarHBondContact O-CD2 3.18Å; L313-F317 PolarHBondContact O-N 3.1Å
314	I	91.9	Very high	92.4	Very high	104 Å²	104	98.7 Å²	98.7	53%	0.533	48%	0.483	S	S	.	.	H	α-helix	trans	-58.2	-51.4	-179.1	-67.2	173.5	0	0	0	111.1	C309 M316 F317 T318	C309-I314 WeakPolarHBondContact O-CG1 3.47Å; C309-I314 PolarHBondContact O-N 3.46Å; I314-M316 VanDerWaalsContact C-N 3.34Å; I314-M316 PolarHBondContact O-N 2.9Å; I314-F317 PolarHBondContact O-N 3.36Å; I314-T318 PolarHBondContact O-N 3.26Å; I314-T318 PolarHBondContact O-OG1 3.34Å
315	P	91.7	Very high	92.2	Very high	69 Å²	69	97.6 Å²	97.6	45%	0.448	48%	0.48	S	S	.	.	H	α-helix	trans	-61	-39	178.1	-25.8	36.5	0	0	0	113.6	R310 T318 G319	R310-P315 WeakPolarHBondContact O-CD 3.37Å; P315-T318 PolarHBondContact O-N 3.45Å; P315-G319 PolarHBondContact O-N 2.85Å
316	M	93.2	Very high	91.9	Very high	101 Å²	101	92.9 Å²	92.9	50%	0.498	47%	0.467	S	S	.	.	H	α-helix	trans	-62.3	-46.2	175.9	-176.8	-170	72.8	0	0	111.2	L312 L313 I314 G319 I320	L312-M316 WeakPolarHBondContact O-CB 3.17Å; L312-M316 PolarHBondContact O-N 2.85Å; L312-M316 VanDerWaalsContact O-N 3.1Å; L313-M316 HydrophobicContact CD2-CE 4.43Å; L313-M316 PolarHBondContact O-N 3.22Å; I314-M316 VanDerWaalsContact C-N 3.34Å; I314-M316 PolarHBondContact O-N 2.9Å; M316-G319 PolarHBondContact O-N 3.46Å; M316-I320 HydrophobicContact CG-CD1 4.19Å; M316-I320 VanDerWaalsContact O-CG1 3.31Å; M316-I320 WeakPolarHBondContact O-CG1 3.31Å; M316-I320 PolarHBondContact O-N 3.25Å
317	F	92.3	Very high	91.7	Very high	119 Å²	119	96.9 Å²	96.9	52%	0.522	48%	0.484	S	S	.	.	H	α-helix	trans	-65	-42.5	176.7	-84.3	-72.9	0	0	0	112.2	L313 I314 G319 I320 I321	L313-F317 HydrophobicContact CB-CD2 4.43Å; L313-F317 WeakPolarHBondContact O-CD2 3.18Å; L313-F317 PolarHBondContact O-N 3.1Å; I314-F317 PolarHBondContact O-N 3.36Å; F317-G319 VanDerWaalsContact C-N 3.32Å; F317-G319 PolarHBondContact O-N 2.89Å; F317-I320 PolarHBondContact O-N 3.43Å; F317-I321 WeakPolarHBondContact O-CG1 3.35Å; F317-I321 PolarHBondContact O-N 2.95Å
318	T	89.8	Confident	91.4	Very high	73 Å²	73	97.5 Å²	97.5	45%	0.448	49%	0.485	S	S	.	.	H	α-helix	trans	-59.7	-44.4	174.2	-54.6	0	0	0	0	110.8	I314 P315 I320 I321 C322	I314-T318 PolarHBondContact O-N 3.26Å; I314-T318 PolarHBondContact O-OG1 3.34Å; P315-T318 PolarHBondContact O-N 3.45Å; T318-I320 PolarHBondContact O-N 2.94Å; T318-I321 PolarHBondContact O-N 2.96Å; T318-C322 WeakPolarHBondContact O-CB 3.48Å; T318-C322 PolarHBondContact O-N 3.24Å; T318-C322 PolarHBondContact O-SG 2.86Å
319	G	92.2	Very high	91	Very high	29 Å²	29	97 Å²	97	30%	0.299	48%	0.483	S	S	.	.	H	α-helix	trans	-59.1	-44.3	174.8	0	0	0	0	0	112.8	P315 M316 F317 I321 C322 M323	P315-G319 PolarHBondContact O-N 2.85Å; M316-G319 PolarHBondContact O-N 3.46Å; F317-G319 VanDerWaalsContact C-N 3.32Å; F317-G319 PolarHBondContact O-N 2.89Å; G319-I321 PolarHBondContact O-N 3.44Å; G319-C322 PolarHBondContact O-N 3.36Å; G319-M323 WeakPolarHBondContact O-CB 3.42Å; G319-M323 WeakPolarHBondContact O-CG 3.46Å; G319-M323 PolarHBondContact O-N 3.27Å
320	I	93.2	Very high	90.7	Very high	62 Å²	62	102 Å²	102	32%	0.318	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-42.1	176.6	-68.4	164.2	0	0	0	111.5	M316 F317 T318 M323 R324	M316-I320 HydrophobicContact CG-CD1 4.19Å; M316-I320 VanDerWaalsContact O-CG1 3.31Å; M316-I320 WeakPolarHBondContact O-CG1 3.31Å; M316-I320 PolarHBondContact O-N 3.25Å; F317-I320 PolarHBondContact O-N 3.43Å; T318-I320 PolarHBondContact O-N 2.94Å; I320-M323 HydrophobicContact CG1-CE 4.21Å; I320-M323 PolarHBondContact O-N 3.48Å; I320-R324 WeakPolarHBondContact O-CB 3.48Å; I320-R324 WeakPolarHBondContact O-CG 3.32Å; I320-R324 PolarHBondContact O-N 3.29Å
321	I	91.7	Very high	90.5	Very high	90 Å²	90	100 Å²	100	46%	0.462	50%	0.496	S	S	.	.	H	α-helix	trans	-64.3	-46.4	177.1	-69	167.8	0	0	0	110.3	F317 T318 G319 M323 R324 Y325 I329	F317-I321 WeakPolarHBondContact O-CG1 3.35Å; F317-I321 PolarHBondContact O-N 2.95Å; T318-I321 PolarHBondContact O-N 2.96Å; G319-I321 PolarHBondContact O-N 3.44Å; I321-M323 VanDerWaalsContact C-N 3.34Å; I321-M323 PolarHBondContact O-N 2.98Å; I321-R324 PolarHBondContact O-N 3.41Å; I321-Y325 HydrophobicContact CG2-CD2 4.43Å; I321-Y325 PolarHBondContact O-N 2.88Å; I321-I329 HydrophobicContact CG2-CD1 4.24Å
322	C	90.2	Very high	90.2	Very high	72 Å²	72	98.9 Å²	98.9	49%	0.486	50%	0.498	S	S	.	.	H	α-helix	trans	-61.8	-39.3	176.4	-69	0	0	0	0	112.2	T318 G319 G326	T318-C322 WeakPolarHBondContact O-CB 3.48Å; T318-C322 PolarHBondContact O-N 3.24Å; T318-C322 PolarHBondContact O-SG 2.86Å; G319-C322 PolarHBondContact O-N 3.36Å; C322-G326 WeakPolarHBondContact O-CA 3.2Å; C322-G326 PolarHBondContact O-N 2.79Å
323	M	91.4	Very high	89.9	Confident	154 Å²	154	96.7 Å²	96.7	76%	0.759	49%	0.489	S	S	*	.	H	α-helix	trans	-68.9	-35.8	176.5	-73.5	-173.7	-65.3	0	0	112.9	G319 I320 I321	G319-M323 WeakPolarHBondContact O-CB 3.42Å; G319-M323 WeakPolarHBondContact O-CG 3.46Å; G319-M323 PolarHBondContact O-N 3.27Å; I320-M323 HydrophobicContact CG1-CE 4.21Å; I320-M323 PolarHBondContact O-N 3.48Å; I321-M323 VanDerWaalsContact C-N 3.34Å; I321-M323 PolarHBondContact O-N 2.98Å
324	R	92.3	Very high	89.7	Confident	188 Å²	188	96 Å²	96	71%	0.709	49%	0.486	S	S	*	.	H	α-helix	trans	-83.9	-34.3	-177.2	-77	-172.4	169.5	-171.7	-2.4	114	I320 I321	I320-R324 WeakPolarHBondContact O-CB 3.48Å; I320-R324 WeakPolarHBondContact O-CG 3.32Å; I320-R324 PolarHBondContact O-N 3.29Å; I321-R324 PolarHBondContact O-N 3.41Å
325	Y	91.8	Very high	89.3	Confident	131 Å²	131	96.1 Å²	96.1	51%	0.514	49%	0.493	S	S	.	.	H	α-helix	trans	-126.2	9	-170.2	-58.8	-74.7	0	0	0	112.7	I321 E327 V328 I329	I321-Y325 HydrophobicContact CG2-CD2 4.43Å; I321-Y325 PolarHBondContact O-N 2.88Å; Y325-E327 PolarHBondContact O-N 2.94Å; Y325-V328 PolarHBondContact O-N 3.32Å; Y325-V328 VanDerWaalsContact O-N 3.14Å; Y325-I329 WeakPolarHBondContact O-CB 3.26Å; Y325-I329 VanDerWaalsContact O-CG1 3.26Å; Y325-I329 WeakPolarHBondContact O-CG1 3.46Å; Y325-I329 PolarHBondContact O-N 3.36Å
326	G	88.8	Confident	89.1	Confident	27 Å²	27	100.2 Å²	100.2	28%	0.278	51%	0.508	S	S	.	.	H	α-helix	trans	-54.3	-47.9	-175.7	0	0	0	0	0	113.5	C322 V328 I329 Y330	C322-G326 WeakPolarHBondContact O-CA 3.2Å; C322-G326 PolarHBondContact O-N 2.79Å; G326-V328 PolarHBondContact O-N 3.49Å; G326-I329 PolarHBondContact O-N 3.35Å; G326-Y330 VanDerWaalsContact O-CB 3.23Å; G326-Y330 WeakPolarHBondContact O-CB 3.22Å; G326-Y330 PolarHBondContact O-N 2.89Å
327	E	88.1	Confident	88.5	Confident	147 Å²	147	99.6 Å²	99.6	69%	0.687	51%	0.506	S	S	*	.	H	α-helix	trans	-60.6	-45	176.8	-66.2	-61.8	146.3	0	0	112	Y325 I329 Y330 E331	Y325-E327 PolarHBondContact O-N 2.94Å; E327-I329 PolarHBondContact O-N 2.76Å; E327-Y330 PolarHBondContact O-N 3.44Å; E327-E331 WeakPolarHBondContact O-CB 3.4Å; E327-E331 WeakPolarHBondContact O-CG 3.04Å; E327-E331 PolarHBondContact O-N 3.11Å
328	V	89.7	Confident	87.8	Confident	79 Å²	79	99.6 Å²	99.6	48%	0.479	52%	0.518	S	S	.	.	H	α-helix	trans	-65.5	-42.7	179	-178.4	0	0	0	0	111	Y325 G326 Y330 M332	Y325-V328 PolarHBondContact O-N 3.32Å; Y325-V328 VanDerWaalsContact O-N 3.14Å; G326-V328 PolarHBondContact O-N 3.49Å; V328-Y330 VanDerWaalsContact C-N 3.33Å; V328-M332 HydrophobicContact CG1-CE 3.95Å; V328-M332 HydrophobicContact CG1-SD 4.49Å; V328-M332 WeakPolarHBondContact O-CB 3.39Å; V328-M332 VanDerWaalsContact O-CG 3.3Å; V328-M332 WeakPolarHBondContact O-CG 3.27Å; V328-M332 PolarHBondContact O-N 3.34Å
329	I	84.6	Confident	86.9	Confident	75 Å²	75	102.1 Å²	102.1	39%	0.385	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-42.8	175.8	-67.5	165.9	0	0	0	109.8	I321 Y325 G326 E327 M332 V333	I321-I329 HydrophobicContact CG2-CD1 4.24Å; Y325-I329 WeakPolarHBondContact O-CB 3.26Å; Y325-I329 VanDerWaalsContact O-CG1 3.26Å; Y325-I329 WeakPolarHBondContact O-CG1 3.46Å; Y325-I329 PolarHBondContact O-N 3.36Å; G326-I329 PolarHBondContact O-N 3.35Å; E327-I329 PolarHBondContact O-N 2.76Å; I329-M332 PolarHBondContact O-N 2.99Å; I329-V333 HydrophobicContact CG2-CG2 4.31Å; I329-V333 WeakPolarHBondContact O-CB 3.23Å; I329-V333 WeakPolarHBondContact O-CG2 3.43Å; I329-V333 PolarHBondContact O-N 3.36Å
330	Y	85.6	Confident	85.3	Confident	133 Å²	133	109.6 Å²	109.6	52%	0.522	56%	0.555	S	S	.	*	H	α-helix	trans	-63	-49.9	179.3	-178.5	-99.8	0	0	0	111.5	G326 E327 V328 M332 V333 L334	G326-Y330 VanDerWaalsContact O-CB 3.23Å; G326-Y330 WeakPolarHBondContact O-CB 3.22Å; G326-Y330 PolarHBondContact O-N 2.89Å; E327-Y330 PolarHBondContact O-N 3.44Å; V328-Y330 VanDerWaalsContact C-N 3.33Å; Y330-M332 VanDerWaalsContact C-N 3.28Å; Y330-M332 PolarHBondContact O-N 2.94Å; Y330-V333 PolarHBondContact O-N 2.88Å; Y330-V333 VanDerWaalsContact O-N 3.11Å; Y330-L334 HydrophobicContact CE1-CD1 4.4Å; Y330-L334 HydrophobicContact CE1-CD2 3.92Å; Y330-L334 HydrophobicContact CE2-CD1 4.46Å; Y330-L334 VanDerWaalsContact O-CB 3.27Å; Y330-L334 WeakPolarHBondContact O-CB 3.38Å; Y330-L334 PolarHBondContact O-N 2.81Å
331	E	88.5	Confident	83.7	Confident	117 Å²	117	117.3 Å²	117.3	55%	0.547	58%	0.58	S	S	.	*	H	α-helix	trans	-63.4	-30.9	177	-71.3	-63.5	154.4	0	0	112.9	E327 P335	E327-E331 WeakPolarHBondContact O-CB 3.4Å; E327-E331 WeakPolarHBondContact O-CG 3.04Å; E327-E331 PolarHBondContact O-N 3.11Å; E331-P335 WeakPolarHBondContact O-CD 3.47Å
332	M	86.6	Confident	81.9	Confident	127 Å²	127	117.3 Å²	117.3	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-72.1	-35.6	172.6	-77.1	-174.7	-178.6	0	0	113	V328 I329 Y330	V328-M332 HydrophobicContact CG1-CE 3.95Å; V328-M332 HydrophobicContact CG1-SD 4.49Å; V328-M332 WeakPolarHBondContact O-CB 3.39Å; V328-M332 VanDerWaalsContact O-CG 3.3Å; V328-M332 WeakPolarHBondContact O-CG 3.27Å; V328-M332 PolarHBondContact O-N 3.34Å; I329-M332 PolarHBondContact O-N 2.99Å; Y330-M332 VanDerWaalsContact C-N 3.28Å; Y330-M332 PolarHBondContact O-N 2.94Å
333	V	84.6	Confident	80	Confident	68 Å²	68	123 Å²	123	41%	0.412	61%	0.605	S	S	.	*	H	α-helix	trans	-87.2	-35	-174.5	172.6	0	0	0	0	112.1	I329 Y330 P335 M336 I337	I329-V333 HydrophobicContact CG2-CG2 4.31Å; I329-V333 WeakPolarHBondContact O-CB 3.23Å; I329-V333 WeakPolarHBondContact O-CG2 3.43Å; I329-V333 PolarHBondContact O-N 3.36Å; Y330-V333 PolarHBondContact O-N 2.88Å; Y330-V333 VanDerWaalsContact O-N 3.11Å; V333-P335 VanDerWaalsContact C-CD 3.46Å; V333-M336 WeakPolarHBondContact O-CB 3.3Å; V333-M336 PolarHBondContact O-N 3.14Å; V333-I337 HydrophobicContact CG1-CD1 4.18Å; V333-I337 HydrophobicContact CG1-CG1 4.35Å; V333-I337 PolarHBondContact O-N 3.5Å
334	L	84.8	Confident	78.3	Confident	52 Å²	52	124 Å²	124	27%	0.272	61%	0.605	S	S	.	*	G	3₁₀ helix	trans	-53	-42.4	-175.8	-174.6	69	0	0	0	113.7	Y330 M336 I337	Y330-L334 HydrophobicContact CE1-CD1 4.4Å; Y330-L334 HydrophobicContact CE1-CD2 3.92Å; Y330-L334 HydrophobicContact CE2-CD1 4.46Å; Y330-L334 VanDerWaalsContact O-CB 3.27Å; Y330-L334 WeakPolarHBondContact O-CB 3.38Å; Y330-L334 PolarHBondContact O-N 2.81Å; L334-M336 VanDerWaalsContact C-N 3.27Å; L334-M336 PolarHBondContact O-N 3.02Å; L334-I337 PolarHBondContact O-N 3.26Å
335	P	84.9	Confident	76.1	Confident	106 Å²	106	120 Å²	120	69%	0.688	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-69.5	-21.4	177.3	-18.6	32.6	0	0	0	114.1	E331 V333 I337	E331-P335 WeakPolarHBondContact O-CD 3.47Å; V333-P335 VanDerWaalsContact C-CD 3.46Å; P335-I337 VanDerWaalsContact C-N 3.33Å
336	M	87.3	Confident	74.2	Confident	154 Å²	154	122.5 Å²	122.5	76%	0.759	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-80.8	-17.9	178.6	-55.7	-166	-165.4	0	0	112.4	V333 L334 P338	V333-M336 WeakPolarHBondContact O-CB 3.3Å; V333-M336 PolarHBondContact O-N 3.14Å; L334-M336 VanDerWaalsContact C-N 3.27Å; L334-M336 PolarHBondContact O-N 3.02Å; M336-P338 WeakPolarHBondContact O-CD 3.1Å
337	I	80.6	Confident	72.3	Confident	89 Å²	89	129.6 Å²	129.6	46%	0.456	65%	0.646	S	S	.	*	S	Bend	trans	-80.7	114.2	177	-59.6	173.6	0	0	0	107.1	V333 L334 P335 L339	V333-I337 HydrophobicContact CG1-CD1 4.18Å; V333-I337 HydrophobicContact CG1-CG1 4.35Å; V333-I337 PolarHBondContact O-N 3.5Å; L334-I337 PolarHBondContact O-N 3.26Å; P335-I337 VanDerWaalsContact C-N 3.33Å; I337-L339 VanDerWaalsContact C-N 3.26Å; I337-L339 PolarHBondContact O-N 3.36Å
338	P	77.4	Confident	70.5	Confident	119 Å²	119	129.2 Å²	129.2	77%	0.773	65%	0.653	S	S	*	*			trans	-65.8	93.7	171.9	26.3	-31.1	0	0	0	107.8	M336 H340	M336-P338 WeakPolarHBondContact O-CD 3.1Å; P338-H340 PolarHBondContact O-N 2.84Å
339	L	69.8	Low	68.8	Low	126 Å²	126	131.2 Å²	131.2	66%	0.66	66%	0.661	S	S	*	*			trans	-64	104.9	169.4	-74	168	0	0	0	106.4	I337 R341	I337-L339 VanDerWaalsContact C-N 3.26Å; I337-L339 PolarHBondContact O-N 3.36Å; L339-R341 PolarHBondContact O-N 2.79Å
340	H	59.8	Low	66.8	Low	185 Å²	185	139.7 Å²	139.7	86%	0.856	70%	0.698	S	S	*	*			trans	-61.3	91.6	166.7	-140.8	71.5	0	0	0	105.8	P338 P342	P338-H340 PolarHBondContact O-N 2.84Å; H340-P342 WeakPolarHBondContact O-CD 3.11Å; H340-P342 VanDerWaalsContact O-N 3.13Å
341	R	58.3	Low	65.8	Low	224 Å²	224	140 Å²	140	85%	0.845	71%	0.707	S	S	*	*			trans	-64.8	114.1	174	-75.8	-169.3	-173.5	-170.1	3	105.9	L339 H343	L339-R341 PolarHBondContact O-N 2.79Å; R341-H343 PolarHBondContact O-N 2.92Å
342	P	54.1	Low	64.6	Low	91 Å²	91	141.2 Å²	141.2	59%	0.591	72%	0.716	S	S	*	*			trans	-61.2	118.3	168.8	25.4	-29.8	0	0	0	106.4	H340 F344	H340-P342 WeakPolarHBondContact O-CD 3.11Å; H340-P342 VanDerWaalsContact O-N 3.13Å; P342-F344 HydrophobicContact CB-CD2 3.99Å; P342-F344 HydrophobicContact CB-CE2 3.95Å; P342-F344 HydrophobicContact CG-CD2 3.94Å; P342-F344 HydrophobicContact CG-CE2 3.84Å; P342-F344 PolarHBondContact O-N 2.76Å
343	H	51	Low	63.4	Low	190 Å²	190	142 Å²	142	88%	0.88	72%	0.721	S	S	*	*			trans	-62.7	84.5	165.6	-100.2	-38.8	0	0	0	107.2	R341 S345	R341-H343 PolarHBondContact O-N 2.92Å; H343-S345 PolarHBondContact O-N 3.04Å
344	F	54.8	Low	62.2	Low	175 Å²	175	146.4 Å²	146.4	77%	0.768	74%	0.739	S	S	*	*			trans	-69.6	88.6	156.6	-82.9	-83.7	0	0	0	105.6	P342 Q346	P342-F344 HydrophobicContact CB-CD2 3.99Å; P342-F344 HydrophobicContact CB-CE2 3.95Å; P342-F344 HydrophobicContact CG-CD2 3.94Å; P342-F344 HydrophobicContact CG-CE2 3.84Å; P342-F344 PolarHBondContact O-N 2.76Å; F344-Q346 VanDerWaalsContact C-N 3.3Å; F344-Q346 PolarHBondContact O-N 2.84Å
345	S	47.5	Very low	60.8	Low	105 Å²	105	152.3 Å²	152.3	73%	0.734	77%	0.768	S	S	*	*			trans	-52.7	104	157.8	33.1	0	0	0	0	105.8	H343 K347	H343-S345 PolarHBondContact O-N 3.04Å; S345-K347 PolarHBondContact O-N 2.93Å
346	Q	50.9	Low	59.2	Low	183 Å²	183	155.3 Å²	155.3	86%	0.855	77%	0.773	S	S	*	*			trans	-58.8	101.1	164.3	-79.7	178.1	-26.3	0	0	105.3	F344 V348	F344-Q346 VanDerWaalsContact C-N 3.3Å; F344-Q346 PolarHBondContact O-N 2.84Å; Q346-V348 VanDerWaalsContact C-N 3.31Å; Q346-V348 PolarHBondContact O-N 2.97Å
347	K	49.2	Very low	57.2	Low	177 Å²	177	155.4 Å²	155.4	77%	0.77	78%	0.775	S	S	*	*			trans	-52.6	109	155.1	-89	-179.1	170.9	-177.9	0	105.2	S345 D349	S345-K347 PolarHBondContact O-N 2.93Å; K347-D349 PolarHBondContact O-N 2.95Å
348	V	51.3	Low	55.3	Low	138 Å²	138	160.5 Å²	160.5	84%	0.836	80%	0.799	S	S	*	*			trans	-65.9	92	163.8	177.7	0	0	0	0	104.4	Q346	Q346-V348 VanDerWaalsContact C-N 3.31Å; Q346-V348 PolarHBondContact O-N 2.97Å
349	D	52.5	Low	53.5	Low	122 Å²	122	164 Å²	164	65%	0.652	80%	0.801	S	S	*	*			trans	-80	115.7	172	-79.7	-26.7	0	0	0	107.9	K347	K347-D349 PolarHBondContact O-N 2.95Å
350	H	43	Very low	52	Low	252 Å²	252	167.5 Å²	167.5	100%	1.167	81%	0.814	S	S	*	*			trans	83.2	0	160.6	-59.3	-57.7	0	0	0	120.2

Retrieved 350 of 350 residues in 107.3 ms (Link to these results)

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