A0A077ZGP4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZGP4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 342 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	25.1	Very low	28.3	Very low	247 Å²	247	138.9 Å²	138.9	100%	1.217	79%	0.791	S	S	*	*				0	107.8	0	-73.4	179.4	171.6	0	0	107.5	S3	M1-S3 PolarHBondContact O-N 3.17Å
2	A	30	Very low	28	Very low	99 Å²	99	133.2 Å²	133.2	82%	0.818	79%	0.785	S	S	*	*			trans	-69.2	116	173.5	0	0	0	0	0	107.8	N4	A2-N4 PolarHBondContact O-N 3.28Å; A2-N4 VanDerWaalsContact O-N 3.17Å
3	S	29.4	Very low	28.3	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	76%	0.759	S	S	*	*			trans	-65.7	115.2	176.3	59.1	0	0	0	0	108.5	M1 S5	M1-S3 PolarHBondContact O-N 3.17Å; S3-S5 PolarHBondContact O-N 3.17Å
4	N	26.4	Very low	28.1	Very low	162 Å²	162	130 Å²	130	87%	0.866	76%	0.759	S	S	*	*			trans	-64.3	76.4	165.9	-76.8	-24.6	0	0	0	109.1	A2 K6	A2-N4 PolarHBondContact O-N 3.28Å; A2-N4 VanDerWaalsContact O-N 3.17Å; N4-K6 VanDerWaalsContact C-N 3.29Å; N4-K6 PolarHBondContact O-N 3.39Å
5	S	30.1	Very low	28.1	Very low	95 Å²	95	128.8 Å²	128.8	66%	0.664	75%	0.748	S	S	*	*			trans	-71.5	92.7	167.7	57.7	0	0	0	0	106.9	S3 L7	S3-S5 PolarHBondContact O-N 3.17Å; S5-L7 PolarHBondContact O-N 2.77Å
6	K	25.1	Very low	28	Very low	199 Å²	199	126.8 Å²	126.8	87%	0.865	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-51.9	123.6	165.9	-88.5	-177.7	171.8	-178.7	0	107.9	N4	N4-K6 VanDerWaalsContact C-N 3.29Å; N4-K6 PolarHBondContact O-N 3.39Å
7	L	30.3	Very low	28	Very low	137 Å²	137	128.5 Å²	128.5	72%	0.717	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-53.8	139.4	170.3	-69.2	164.9	0	0	0	108.8	S5	S5-L7 PolarHBondContact O-N 2.77Å
8	L	28.8	Very low	27.8	Very low	154 Å²	154	127.3 Å²	127.3	81%	0.806	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-65.5	134.3	-178.5	-88	145	0	0	0	110.5	T10	L8-T10 PolarHBondContact O-N 3.38Å
9	D	28.1	Very low	27.8	Very low	125 Å²	125	125.6 Å²	125.6	67%	0.668	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-60	121.6	177	-177.6	-2.2	0	0	0	110.9	S11	D9-S11 VanDerWaalsContact CG-OG 3.25Å; D9-S11 VanDerWaalsContact OD1-CB 3.24Å; D9-S11 WeakPolarHBondContact OD1-CB 3.35Å; D9-S11 PolarHBondContact OD1-N 2.98Å; D9-S11 PolarHBondContact OD1-OG 3.17Å; D9-S11 PolarHBondContact OD2-OG 3.37Å
10	T	31.3	Very low	27.6	Very low	106 Å²	106	121.5 Å²	121.5	65%	0.65	71%	0.709	S	S	*	*			trans	-99	9.7	-177.6	58.4	0	0	0	0	114.4	L8 G12 Y13	L8-T10 PolarHBondContact O-N 3.38Å; T10-G12 PolarHBondContact O-N 2.99Å; T10-Y13 HydrophobicContact CG2-CD2 4.17Å; T10-Y13 HydrophobicContact CG2-CE2 3.88Å; T10-Y13 VanDerWaalsContact O-CD2 3.29Å; T10-Y13 WeakPolarHBondContact O-CD2 3.39Å
11	S	26.8	Very low	27.6	Very low	101 Å²	101	119.2 Å²	119.2	71%	0.706	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-20.1	-178.5	58.3	0	0	0	0	114.5	D9	D9-S11 VanDerWaalsContact CG-OG 3.25Å; D9-S11 VanDerWaalsContact OD1-CB 3.24Å; D9-S11 WeakPolarHBondContact OD1-CB 3.35Å; D9-S11 PolarHBondContact OD1-N 2.98Å; D9-S11 PolarHBondContact OD1-OG 3.17Å; D9-S11 PolarHBondContact OD2-OG 3.37Å
12	G	24.8	Very low	27.7	Very low	70 Å²	70	113.9 Å²	113.9	72%	0.722	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	4.4	-175.3	0	0	0	0	0	117.5	T10 S14	T10-G12 PolarHBondContact O-N 2.99Å; G12-S14 PolarHBondContact O-N 3.36Å
13	Y	32.1	Very low	27.7	Very low	114 Å²	114	119.1 Å²	119.1	45%	0.447	67%	0.668	S	S	.	*			trans	-91.8	95.4	-170.4	-66.1	-69.7	0	0	0	113.4	T10 R24	T10-Y13 HydrophobicContact CG2-CD2 4.17Å; T10-Y13 HydrophobicContact CG2-CE2 3.88Å; T10-Y13 VanDerWaalsContact O-CD2 3.29Å; T10-Y13 WeakPolarHBondContact O-CD2 3.39Å; Y13-R24 PolarHBondContact OH-NH1 2.98Å
14	S	24.6	Very low	27.8	Very low	108 Å²	108	121.2 Å²	121.2	76%	0.755	66%	0.66	S	S	*	*			trans	-91.1	126.4	169.2	78.3	0	0	0	0	111.7	G12 S16	G12-S14 PolarHBondContact O-N 3.36Å; S14-S16 PolarHBondContact O-N 3.44Å
15	N	28.4	Very low	28	Very low	112 Å²	112	116.8 Å²	116.8	60%	0.599	64%	0.636	S	S	*	*			trans	-96.5	47.6	-163.3	-113.1	1.7	0	0	0	113.8	N17	N15-N17 PolarHBondContact O-N 3.05Å
16	S	26.9	Very low	28.1	Very low	97 Å²	97	115.5 Å²	115.5	68%	0.678	62%	0.622	S	S	*	*	S	Bend	trans	-92	90.5	178.8	63.3	0	0	0	0	111.7	S14	S14-S16 PolarHBondContact O-N 3.44Å
17	N	28.7	Very low	28.5	Very low	156 Å²	156	109.5 Å²	109.5	83%	0.834	61%	0.605	S	S	*	*	S	Bend	trans	84.1	18.1	150.7	-58.4	-18.1	0	0	0	121.3	N15	N15-N17 PolarHBondContact O-N 3.05Å
18	C	23.5	Very low	28.6	Very low	107 Å²	107	105.7 Å²	105.7	72%	0.723	59%	0.59	S	S	*	*			trans	-157.5	118.8	157.1	-103.1	0	0	0	0	110.1	I20	C18-I20 PolarHBondContact O-N 3.44Å
19	L	27.6	Very low	28.9	Very low	94 Å²	94	105.4 Å²	105.4	49%	0.492	58%	0.582	S	S	.	*	S	Bend	trans	-68.6	-11.1	178.9	-73.6	177.9	0	0	0	113.6	G53	L19-G53 WeakPolarHBondContact CD2-O 3.3Å
20	I	25	Very low	29.2	Very low	44 Å²	44	103 Å²	103	23%	0.226	57%	0.567	C	S	.	*			trans	-130.8	98.4	-177.3	-50.6	178.8	0	0	0	110.3	C18 W22 L25 L54	C18-I20 PolarHBondContact O-N 3.44Å; I20-W22 PolarHBondContact O-N 2.88Å; I20-L25 HydrophobicContact CG2-CD1 3.35Å; I20-L25 HydrophobicContact CG2-CG 4.12Å; I20-L54 HydrophobicContact CD1-CD2 4.11Å; I20-L54 HydrophobicContact CG1-CD2 4.48Å
21	P	26.5	Very low	29.3	Very low	73 Å²	73	100 Å²	100	47%	0.474	55%	0.547	S	S	.	.			trans	-70.3	99.3	166	-9.6	24.9	0	0	0	108.9	K23 R24	P21-K23 PolarHBondContact O-N 2.74Å; P21-R24 PolarHBondContact O-N 3.13Å
22	W	27.7	Very low	29.6	Very low	135 Å²	135	105.1 Å²	105.1	51%	0.511	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-50.7	-31	-179.6	-77.9	67.9	0	0	0	113.9	I20 R24 L25 M87	I20-W22 PolarHBondContact O-N 2.88Å; W22-R24 PolarHBondContact O-N 3.09Å; W22-L25 PolarHBondContact O-N 3.5Å; W22-M87 HydrophobicContact CH2-CE 4.36Å; W22-M87 HydrophobicContact CH2-SD 3.97Å; W22-M87 HydrophobicContact CZ2-CE 3.84Å; W22-M87 HydrophobicContact CZ2-SD 4.06Å
23	K	29.7	Very low	30.1	Very low	209 Å²	209	105 Å²	105	91%	0.909	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-59.9	-14.6	175.6	-72	-172.4	177.2	-178	0	114	P21	P21-K23 PolarHBondContact O-N 2.74Å
24	R	31.6	Very low	30.4	Very low	147 Å²	147	106.5 Å²	106.5	56%	0.555	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-102.6	-7.8	177.7	-63.8	-172.8	179.2	-163.4	0.9	113.9	Y13 P21 W22 D26 H30	Y13-R24 PolarHBondContact OH-NH1 2.98Å; P21-R24 PolarHBondContact O-N 3.13Å; W22-R24 PolarHBondContact O-N 3.09Å; R24-D26 VanDerWaalsContact C-N 3.26Å; R24-D26 PolarHBondContact O-N 2.91Å; R24-H30 PolarHBondContact O-CD2 3.4Å; R24-H30 PolarHBondContact O-NE2 3.35Å
25	L	30	Very low	31.1	Very low	69 Å²	69	113.4 Å²	113.4	36%	0.361	56%	0.557	S	S	.	*			trans	-90.5	54.8	173.8	-71.6	174.3	0	0	0	110.6	I20 W22 S27 W48	I20-L25 HydrophobicContact CG2-CD1 3.35Å; I20-L25 HydrophobicContact CG2-CG 4.12Å; W22-L25 PolarHBondContact O-N 3.5Å; L25-S27 PolarHBondContact O-N 3.45Å; L25-W48 HydrophobicContact CD2-CZ2 4.34Å
26	D	32.3	Very low	32	Very low	69 Å²	69	111.8 Å²	111.8	37%	0.369	57%	0.567	S	S	.	*			trans	-69.3	84.3	161.9	-172	-1.5	0	0	0	107.5	R24 S28 K29 H30	R24-D26 VanDerWaalsContact C-N 3.26Å; R24-D26 PolarHBondContact O-N 2.91Å; D26-S28 PolarHBondContact O-N 2.97Å; D26-S28 WeakPolarHBondContact OD1-CB 3.44Å; D26-S28 PolarHBondContact OD1-N 3.26Å; D26-S28 PolarHBondContact OD1-OG 3.15Å; D26-K29 PolarHBondContact O-N 3.39Å; D26-K29 WeakPolarHBondContact OD2-CD 3.33Å; D26-K29 WeakPolarHBondContact OD2-CE 3.45Å; D26-K29 IonicContact OD2-NZ 2.83Å; D26-H30 PolarHBondContact O-N 2.86Å
27	S	32.8	Very low	33	Very low	73 Å²	73	111.2 Å²	111.2	51%	0.51	56%	0.557	S	S	.	*	H	α-helix	trans	-55.2	-24.5	-176.6	56.4	0	0	0	0	112.3	L25 K29	L25-S27 PolarHBondContact O-N 3.45Å; S27-K29 VanDerWaalsContact C-N 3.32Å; S27-K29 PolarHBondContact O-N 2.77Å
28	S	33.4	Very low	33.7	Very low	56 Å²	56	112 Å²	112	39%	0.392	55%	0.553	S	S	.	*	H	α-helix	trans	-69	-27.5	177.8	78.1	0	0	0	0	113.5	D26 R32	D26-S28 PolarHBondContact O-N 2.97Å; D26-S28 WeakPolarHBondContact OD1-CB 3.44Å; D26-S28 PolarHBondContact OD1-N 3.26Å; D26-S28 PolarHBondContact OD1-OG 3.15Å; S28-R32 WeakPolarHBondContact O-CD 3.27Å; S28-R32 WeakPolarHBondContact O-CG 3.32Å
29	K	35.8	Very low	34.8	Very low	148 Å²	148	108.8 Å²	108.8	64%	0.643	53%	0.531	S	S	*	.	H	α-helix	trans	-98.8	-27.4	-179	-68.4	-177.3	-175.5	172.1	0	113.5	D26 S27	D26-K29 PolarHBondContact O-N 3.39Å; D26-K29 WeakPolarHBondContact OD2-CD 3.33Å; D26-K29 WeakPolarHBondContact OD2-CE 3.45Å; D26-K29 IonicContact OD2-NZ 2.83Å; S27-K29 VanDerWaalsContact C-N 3.32Å; S27-K29 PolarHBondContact O-N 2.77Å
30	H	34.4	Very low	35.7	Very low	75 Å²	75	106.1 Å²	106.1	35%	0.347	52%	0.523	S	S	.	.	H	α-helix	trans	-94.9	-18.8	-167	-68.6	0.2	0	0	0	114.8	R24 D26	R24-H30 PolarHBondContact O-CD2 3.4Å; R24-H30 PolarHBondContact O-NE2 3.35Å; D26-H30 PolarHBondContact O-N 2.86Å
31	L	33.4	Very low	36.7	Very low	43 Å²	43	104.8 Å²	104.8	23%	0.225	52%	0.518	C	S	.	.	S	Bend	trans	-130	24.3	179.8	-88.1	157.4	0	0	0	113.6	I33 L81	L31-I33 HydrophobicContact CD2-CD1 4.15Å; L31-I33 PolarHBondContact O-N 2.81Å; L31-L81 HydrophobicContact CB-CD2 4.26Å; L31-L81 HydrophobicContact CD1-CD2 4.23Å
32	R	33.2	Very low	37.6	Very low	208 Å²	208	102.8 Å²	102.8	79%	0.785	50%	0.502	S	S	*	.			trans	-73.3	83.4	165.6	-90.3	-175.8	-177.7	-177.5	3	109.6	S28 L34	S28-R32 WeakPolarHBondContact O-CD 3.27Å; S28-R32 WeakPolarHBondContact O-CG 3.32Å; R32-L34 PolarHBondContact O-N 3.34Å; R32-L34 VanDerWaalsContact O-N 3.17Å
33	I	35.4	Very low	38.6	Very low	67 Å²	67	101.7 Å²	101.7	34%	0.344	50%	0.501	S	S	.	.			trans	-71.1	101.9	171.6	-64.9	155	0	0	0	107.7	L31 R35 H72	L31-I33 HydrophobicContact CD2-CD1 4.15Å; L31-I33 PolarHBondContact O-N 2.81Å; I33-R35 PolarHBondContact O-N 3.34Å; I33-H72 WeakPolarHBondContact CD1-NE2 3.49Å
34	L	37.4	Very low	39.5	Very low	147 Å²	147	97.3 Å²	97.3	77%	0.77	48%	0.484	S	S	*	.			trans	-70.8	120.3	165.7	-70.6	169.2	0	0	0	107.1	R32 G36 D37	R32-L34 PolarHBondContact O-N 3.34Å; R32-L34 VanDerWaalsContact O-N 3.17Å; L34-G36 PolarHBondContact O-N 2.92Å; L34-D37 PolarHBondContact O-N 2.9Å
35	R	40.1	Very low	40.3	Very low	252 Å²	252	90.6 Å²	90.6	95%	0.951	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	-15.7	-178.1	-88	-177.6	173	-177.9	-1.9	115.7	I33	I33-R35 PolarHBondContact O-N 3.34Å
36	G	46	Very low	41	Very low	79 Å²	79	87.6 Å²	87.6	81%	0.814	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-23.4	-172.5	0	0	0	0	0	116.6	L34	L34-G36 PolarHBondContact O-N 2.92Å
37	D	48.6	Very low	41.7	Very low	85 Å²	85	87.8 Å²	87.8	46%	0.455	45%	0.445	S	S	.	.			trans	-132.8	93.7	-174.9	-168	-14.5	0	0	0	112.5	L34 S39 A40 S41	L34-D37 PolarHBondContact O-N 2.9Å; D37-S39 VanDerWaalsContact C-N 3.29Å; D37-S39 PolarHBondContact O-N 3.38Å; D37-S39 WeakPolarHBondContact OD1-CB 3.4Å; D37-S39 PolarHBondContact OD1-N 3.01Å; D37-A40 HydrophobicContact CB-CB 3.98Å; D37-A40 VanDerWaalsContact CG-CB 3.45Å; D37-A40 PolarHBondContact OD1-N 2.99Å; D37-A40 WeakPolarHBondContact OD2-CB 3.46Å; D37-S41 WeakPolarHBondContact O-CB 3.44Å; D37-S41 PolarHBondContact O-N 2.89Å; D37-S41 VanDerWaalsContact O-N 3.13Å; D37-S41 PolarHBondContact O-OG 3.41Å
38	K	43.9	Very low	42.3	Very low	172 Å²	172	86.9 Å²	86.9	75%	0.748	43%	0.431	S	S	*	.	H	α-helix	trans	-62.4	-34.8	176.4	-71.4	-177.2	178.4	-179.4	0	112.3	S41 I42	K38-S41 PolarHBondContact O-N 3.21Å; K38-I42 WeakPolarHBondContact O-CG1 3.25Å; K38-I42 PolarHBondContact O-N 2.88Å
39	S	45	Very low	42.9	Very low	40 Å²	40	84.5 Å²	84.5	28%	0.28	41%	0.413	S	S	.	.	H	α-helix	trans	-70.9	-47	-177.4	-175.4	0	0	0	0	110.9	D37 S41 I42 K43	D37-S39 VanDerWaalsContact C-N 3.29Å; D37-S39 PolarHBondContact O-N 3.38Å; D37-S39 WeakPolarHBondContact OD1-CB 3.4Å; D37-S39 PolarHBondContact OD1-N 3.01Å; S39-S41 VanDerWaalsContact C-N 3.27Å; S39-S41 PolarHBondContact O-N 3.42Å; S39-I42 PolarHBondContact O-N 2.84Å; S39-K43 WeakPolarHBondContact O-CG 3.43Å; S39-K43 PolarHBondContact O-N 3.23Å
40	A	48.2	Very low	43.2	Very low	38 Å²	38	82.5 Å²	82.5	31%	0.314	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-38.3	174.1	0	0	0	0	0	112	D37 K43 H44	D37-A40 HydrophobicContact CB-CB 3.98Å; D37-A40 VanDerWaalsContact CG-CB 3.45Å; D37-A40 PolarHBondContact OD1-N 2.99Å; D37-A40 WeakPolarHBondContact OD2-CB 3.46Å; A40-K43 PolarHBondContact O-N 2.6Å; A40-H44 WeakPolarHBondContact O-CB 3.28Å; A40-H44 PolarHBondContact O-N 2.64Å
41	S	45.5	Very low	43.6	Very low	16 Å²	16	82.8 Å²	82.8	11%	0.112	41%	0.413	C	S	.	.	H	α-helix	trans	-65.3	-44.7	179.4	-57.7	0	0	0	0	112.4	D37 K38 S39 H44 A45	D37-S41 WeakPolarHBondContact O-CB 3.44Å; D37-S41 PolarHBondContact O-N 2.89Å; D37-S41 VanDerWaalsContact O-N 3.13Å; D37-S41 PolarHBondContact O-OG 3.41Å; K38-S41 PolarHBondContact O-N 3.21Å; S39-S41 VanDerWaalsContact C-N 3.27Å; S39-S41 PolarHBondContact O-N 3.42Å; S41-H44 PolarHBondContact O-N 3.01Å; S41-A45 WeakPolarHBondContact O-CB 3.42Å; S41-A45 PolarHBondContact O-N 3.49Å
42	I	45.3	Very low	44	Very low	30 Å²	30	81.4 Å²	81.4	15%	0.154	41%	0.407	C	S	.	.	H	α-helix	trans	-63	-47.6	174.6	-68.5	167.1	0	0	0	110.1	K38 S39 H44 A45 I46 I69 V174 I177	K38-I42 WeakPolarHBondContact O-CG1 3.25Å; K38-I42 PolarHBondContact O-N 2.88Å; S39-I42 PolarHBondContact O-N 2.84Å; I42-H44 VanDerWaalsContact C-N 3.33Å; I42-H44 PolarHBondContact O-N 2.98Å; I42-A45 PolarHBondContact O-N 3.35Å; I42-I46 HydrophobicContact CG2-CD1 3.77Å; I42-I46 HydrophobicContact CG2-CG1 4.41Å; I42-I46 VanDerWaalsContact O-CG1 3.28Å; I42-I46 WeakPolarHBondContact O-CG1 3.38Å; I42-I46 PolarHBondContact O-N 2.9Å; I42-I69 HydrophobicContact CG1-CG1 4.46Å; I42-I69 HydrophobicContact CG2-CD1 4.44Å; I42-I69 HydrophobicContact CG2-CG1 4.37Å; I42-V174 HydrophobicContact CD1-CG2 4.08Å; I42-I177 HydrophobicContact CD1-CD1 4.25Å
43	K	47.6	Very low	44.3	Very low	113 Å²	113	73 Å²	73	49%	0.491	39%	0.385	S	S	.	.	H	α-helix	trans	-58.8	-42	176.8	-73.3	179.9	-179.1	-176.2	0	112.7	S39 A40 I46 N47	S39-K43 WeakPolarHBondContact O-CG 3.43Å; S39-K43 PolarHBondContact O-N 3.23Å; A40-K43 PolarHBondContact O-N 2.6Å; K43-I46 WeakPolarHBondContact O-CB 3.34Å; K43-I46 PolarHBondContact O-N 3.25Å; K43-N47 PolarHBondContact O-N 3.26Å
44	H	49	Very low	44.3	Very low	116 Å²	116	73.5 Å²	73.5	54%	0.537	39%	0.388	S	S	.	.	H	α-helix	trans	-64.2	-43	177.3	-111.4	-62.3	0	0	0	112.2	A40 S41 I42 I46 N47 W48	A40-H44 WeakPolarHBondContact O-CB 3.28Å; A40-H44 PolarHBondContact O-N 2.64Å; S41-H44 PolarHBondContact O-N 3.01Å; I42-H44 VanDerWaalsContact C-N 3.33Å; I42-H44 PolarHBondContact O-N 2.98Å; H44-I46 VanDerWaalsContact C-N 3.31Å; H44-N47 PolarHBondContact O-N 3.23Å; H44-W48 WeakPolarHBondContact O-CB 3.36Å; H44-W48 PolarHBondContact O-N 3.25Å
45	A	48.1	Very low	44.4	Very low	7 Å²	7	69.3 Å²	69.3	6%	0.058	36%	0.364	C	S	.	.	H	α-helix	trans	-72.8	-26.5	179.8	0	0	0	0	0	111.8	S41 I42 W48 V49 T68	S41-A45 WeakPolarHBondContact O-CB 3.42Å; S41-A45 PolarHBondContact O-N 3.49Å; I42-A45 PolarHBondContact O-N 3.35Å; A45-W48 PolarHBondContact O-N 3.19Å; A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 2.81Å; A45-T68 VanDerWaalsContact C-CG2 3.4Å; A45-T68 HydrophobicContact CB-CG2 3.17Å; A45-T68 PolarHBondContact O-OG1 3.07Å
46	I	46	Very low	44.2	Very low	5 Å²	5	62 Å²	62	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-63.8	-50.2	168.2	-70.9	161	0	0	0	109.9	I42 K43 H44 W48 V49 Y50 Y61 A65 T68	I42-I46 HydrophobicContact CG2-CD1 3.77Å; I42-I46 HydrophobicContact CG2-CG1 4.41Å; I42-I46 VanDerWaalsContact O-CG1 3.28Å; I42-I46 WeakPolarHBondContact O-CG1 3.38Å; I42-I46 PolarHBondContact O-N 2.9Å; K43-I46 WeakPolarHBondContact O-CB 3.34Å; K43-I46 PolarHBondContact O-N 3.25Å; H44-I46 VanDerWaalsContact C-N 3.31Å; I46-W48 VanDerWaalsContact C-N 3.26Å; I46-W48 PolarHBondContact O-N 3.23Å; I46-V49 WeakPolarHBondContact O-CB 3.46Å; I46-V49 PolarHBondContact O-N 2.75Å; I46-V49 VanDerWaalsContact O-N 3.16Å; I46-Y50 HydrophobicContact CG2-CD2 3.78Å; I46-Y50 HydrophobicContact CG2-CE2 3.96Å; I46-Y50 WeakPolarHBondContact O-CD2 3.5Å; I46-Y50 PolarHBondContact O-N 3.46Å; I46-Y61 HydrophobicContact CD1-CE1 4.1Å; I46-Y61 HydrophobicContact CG2-CD2 3.99Å; I46-Y61 HydrophobicContact CG2-CE1 4.31Å; I46-Y61 HydrophobicContact CG2-CE2 3.48Å; I46-Y61 VanDerWaalsContact CG2-CE2 3.48Å; I46-A65 HydrophobicContact CD1-CB 3.47Å; I46-A65 VanDerWaalsContact CD1-CB 3.47Å; I46-A65 HydrophobicContact CG1-CB 3.6Å; I46-T68 WeakPolarHBondContact CA-OG1 3.16Å; I46-T68 HydrophobicContact CG1-CG2 4.07Å; I46-T68 PolarHBondContact N-OG1 2.95Å; I46-T68 VanDerWaalsContact N-OG1 3.13Å
47	N	47	Very low	43.7	Very low	73 Å²	73	67 Å²	67	39%	0.39	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-37.8	177.1	-73.9	-19.2	0	0	0	111.7	K43 H44 Y50 S51	K43-N47 PolarHBondContact O-N 3.26Å; H44-N47 PolarHBondContact O-N 3.23Å; N47-Y50 PolarHBondContact O-N 3.23Å; N47-S51 VanDerWaalsContact O-CB 3.28Å; N47-S51 WeakPolarHBondContact O-CB 3.03Å; N47-S51 PolarHBondContact O-N 3.35Å; N47-S51 PolarHBondContact O-OG 2.82Å; N47-S51 VanDerWaalsContact O-OG 3.12Å
48	W	45.3	Very low	43.3	Very low	55 Å²	55	73 Å²	73	21%	0.208	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-50	173.4	179.7	81.2	0	0	0	111.1	L25 H44 A45 I46 Y50 S51 S52 L54	L25-W48 HydrophobicContact CD2-CZ2 4.34Å; H44-W48 WeakPolarHBondContact O-CB 3.36Å; H44-W48 PolarHBondContact O-N 3.25Å; A45-W48 PolarHBondContact O-N 3.19Å; I46-W48 VanDerWaalsContact C-N 3.26Å; I46-W48 PolarHBondContact O-N 3.23Å; W48-Y50 VanDerWaalsContact C-N 3.34Å; W48-Y50 PolarHBondContact O-N 3.22Å; W48-S51 WeakPolarHBondContact CA-OG 3.21Å; W48-S51 PolarHBondContact O-N 3.42Å; W48-S51 VanDerWaalsContact O-N 3.16Å; W48-S51 PolarHBondContact O-OG 3.25Å; W48-S52 VanDerWaalsContact O-CB 3.32Å; W48-S52 WeakPolarHBondContact O-CB 3.41Å; W48-S52 PolarHBondContact O-N 3.37Å; W48-L54 HydrophobicContact CH2-CD1 4.32Å
49	V	45.3	Very low	43	Very low	5 Å²	5	65.9 Å²	65.9	3%	0.03	33%	0.332	C	S	.	.	H	α-helix	trans	-54.9	-47.7	175.5	158.2	0	0	0	0	111.4	A45 I46 S51 S52 F55 A64 T68	A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 2.81Å; I46-V49 WeakPolarHBondContact O-CB 3.46Å; I46-V49 PolarHBondContact O-N 2.75Å; I46-V49 VanDerWaalsContact O-N 3.16Å; V49-S51 PolarHBondContact O-N 3.46Å; V49-S52 PolarHBondContact O-N 3.08Å; V49-S52 PolarHBondContact O-OG 2.84Å; V49-F55 HydrophobicContact CB-CE2 4.3Å; V49-F55 HydrophobicContact CG1-CD2 3.7Å; V49-F55 HydrophobicContact CG1-CE2 3.35Å; V49-F55 HydrophobicContact CG1-CZ 3.96Å; V49-F55 HydrophobicContact CG2-CE2 4.38Å; V49-A64 HydrophobicContact CG1-CB 3.6Å; V49-T68 WeakPolarHBondContact CG2-OG1 3.27Å
50	Y	43.3	Very low	42.8	Very low	106 Å²	106	66.2 Å²	66.2	42%	0.416	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-43.4	176	-92.6	-67.9	0	0	0	113.6	I46 N47 W48 S52 T59 D60 Y61 A64	I46-Y50 HydrophobicContact CG2-CD2 3.78Å; I46-Y50 HydrophobicContact CG2-CE2 3.96Å; I46-Y50 WeakPolarHBondContact O-CD2 3.5Å; I46-Y50 PolarHBondContact O-N 3.46Å; N47-Y50 PolarHBondContact O-N 3.23Å; W48-Y50 VanDerWaalsContact C-N 3.34Å; W48-Y50 PolarHBondContact O-N 3.22Å; Y50-S52 VanDerWaalsContact C-N 3.27Å; Y50-S52 PolarHBondContact O-N 2.83Å; Y50-T59 PolarHBondContact OH-O 2.74Å; Y50-D60 VanDerWaalsContact OH-C 3.27Å; Y50-Y61 HydrophobicContact CD2-CD2 4.32Å; Y50-Y61 AromaticContact CE2-CD2 3.46Å; Y50-Y61 HydrophobicContact CE2-CD2 3.46Å; Y50-Y61 VanDerWaalsContact CE2-CD2 3.46Å; Y50-Y61 HydrophobicContact CE2-CE2 4.19Å; Y50-Y61 HydrophobicContact CE2-CG 4.11Å; Y50-Y61 WeakPolarHBondContact OH-CA 3.49Å; Y50-Y61 WeakPolarHBondContact OH-CB 3.17Å; Y50-Y61 PolarHBondContact OH-N 3.45Å; Y50-A64 HydrophobicContact CD2-CB 3.93Å; Y50-A64 HydrophobicContact CE2-CB 3.53Å
51	S	42.2	Very low	42.3	Very low	82 Å²	82	67.9 Å²	67.9	57%	0.573	33%	0.329	S	S	*	.	H	α-helix	trans	-73.3	-18.8	-179.5	70.7	0	0	0	0	113.8	N47 W48 V49 G53	N47-S51 VanDerWaalsContact O-CB 3.28Å; N47-S51 WeakPolarHBondContact O-CB 3.03Å; N47-S51 PolarHBondContact O-N 3.35Å; N47-S51 PolarHBondContact O-OG 2.82Å; N47-S51 VanDerWaalsContact O-OG 3.12Å; W48-S51 WeakPolarHBondContact CA-OG 3.21Å; W48-S51 PolarHBondContact O-N 3.42Å; W48-S51 VanDerWaalsContact O-N 3.16Å; W48-S51 PolarHBondContact O-OG 3.25Å; V49-S51 PolarHBondContact O-N 3.46Å; S51-G53 VanDerWaalsContact C-N 3.27Å; S51-G53 PolarHBondContact O-N 3.23Å
52	S	40.7	Very low	42	Very low	13 Å²	13	68.1 Å²	68.1	9%	0.091	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.5	-173.7	72.8	0	0	0	0	113.9	W48 V49 Y50 L54	W48-S52 VanDerWaalsContact O-CB 3.32Å; W48-S52 WeakPolarHBondContact O-CB 3.41Å; W48-S52 PolarHBondContact O-N 3.37Å; V49-S52 PolarHBondContact O-N 3.08Å; V49-S52 PolarHBondContact O-OG 2.84Å; Y50-S52 VanDerWaalsContact C-N 3.27Å; Y50-S52 PolarHBondContact O-N 2.83Å; S52-L54 PolarHBondContact O-N 2.9Å; S52-L54 WeakPolarHBondContact OG-CB 3.35Å; S52-L54 WeakPolarHBondContact OG-CD1 3.26Å; S52-L54 WeakPolarHBondContact OG-CG 3.49Å; S52-L54 PolarHBondContact OG-N 2.77Å
53	G	39.3	Very low	41.9	Very low	31 Å²	31	66.8 Å²	66.8	32%	0.32	32%	0.321	S	S	.	.			trans	64	5.3	-174.1	0	0	0	0	0	114.4	L19 S51 F55	L19-G53 WeakPolarHBondContact CD2-O 3.3Å; S51-G53 VanDerWaalsContact C-N 3.27Å; S51-G53 PolarHBondContact O-N 3.23Å; G53-F55 PolarHBondContact O-N 3.34Å
54	L	36	Very low	41.7	Very low	78 Å²	78	61.5 Å²	61.5	41%	0.408	30%	0.299	S	S	.	.			trans	-66.5	-5.7	-176.3	-73.7	169.8	0	0	0	114.2	I20 W48 S52	I20-L54 HydrophobicContact CD1-CD2 4.11Å; I20-L54 HydrophobicContact CG1-CD2 4.48Å; W48-L54 HydrophobicContact CH2-CD1 4.32Å; S52-L54 PolarHBondContact O-N 2.9Å; S52-L54 WeakPolarHBondContact OG-CB 3.35Å; S52-L54 WeakPolarHBondContact OG-CD1 3.26Å; S52-L54 WeakPolarHBondContact OG-CG 3.49Å; S52-L54 PolarHBondContact OG-N 2.77Å
55	F	39.5	Very low	41.2	Very low	59 Å²	59	56 Å²	56	26%	0.259	27%	0.274	S	S	.	.	S	Bend	trans	-123.2	144.6	-167	-67.4	-84.9	0	0	0	112.1	V49 G53 T59 W67	V49-F55 HydrophobicContact CB-CE2 4.3Å; V49-F55 HydrophobicContact CG1-CD2 3.7Å; V49-F55 HydrophobicContact CG1-CE2 3.35Å; V49-F55 HydrophobicContact CG1-CZ 3.96Å; V49-F55 HydrophobicContact CG2-CE2 4.38Å; G53-F55 PolarHBondContact O-N 3.34Å; F55-T59 HydrophobicContact CB-CG2 4.35Å; F55-T59 HydrophobicContact CD1-CG2 4.05Å; F55-T59 HydrophobicContact CG-CG2 4.4Å; F55-W67 HydrophobicContact CE1-CB 4.27Å; F55-W67 AromaticContact CE1-CD1 3.45Å; F55-W67 VanDerWaalsContact CE1-CD1 3.45Å; F55-W67 HydrophobicContact CE1-CD2 4.16Å; F55-W67 AromaticContact CE1-CG 3.73Å; F55-W67 HydrophobicContact CE1-CG 3.73Å; F55-W67 AromaticContact CE1-NE1 3.8Å; F55-W67 HydrophobicContact CZ-CB 3.93Å; F55-W67 HydrophobicContact CZ-CD2 4.36Å; F55-W67 AromaticContact CZ-CG 3.85Å; F55-W67 HydrophobicContact CZ-CG 3.85Å
56	P	36.6	Very low	41	Very low	99 Å²	99	55.7 Å²	55.7	64%	0.643	27%	0.271	S	S	*	.			trans	-53.3	146.5	171.5	-21.6	31.2	0	0	0	111	Y58 T59	P56-Y58 PolarHBondContact O-N 3.48Å; P56-T59 PolarHBondContact O-N 2.79Å; P56-T59 PolarHBondContact O-OG1 2.88Å
57	R	35.2	Very low	41	Very low	184 Å²	184	58.1 Å²	58.1	69%	0.694	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	134.6	163.8	-73.7	-178.3	173.7	178.9	-3.3	107.2
58	Y	39.4	Very low	40.8	Very low	210 Å²	210	54.7 Å²	54.7	82%	0.824	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	13.4	-176.7	-39.8	-68	0	0	0	118.2	P56 D60	P56-Y58 PolarHBondContact O-N 3.48Å; Y58-D60 PolarHBondContact O-N 3.13Å
59	T	39.4	Very low	40.7	Very low	24 Å²	24	53.2 Å²	53.2	15%	0.147	26%	0.257	C	S	.	.			trans	-66.6	119.8	165.2	-53.7	0	0	0	0	109.4	Y50 F55 P56 A63	Y50-T59 PolarHBondContact OH-O 2.74Å; F55-T59 HydrophobicContact CB-CG2 4.35Å; F55-T59 HydrophobicContact CD1-CG2 4.05Å; F55-T59 HydrophobicContact CG-CG2 4.4Å; P56-T59 PolarHBondContact O-N 2.79Å; P56-T59 PolarHBondContact O-OG1 2.88Å; T59-A63 HydrophobicContact CG2-CB 3.64Å
60	D	39.5	Very low	40.7	Very low	47 Å²	47	53.3 Å²	53.3	25%	0.251	26%	0.258	S	S	.	.			trans	-66.6	159.6	-179.4	75.3	-2.4	0	0	0	111.9	Y50 Y58 Y62 A63 A64	Y50-D60 VanDerWaalsContact OH-C 3.27Å; Y58-D60 PolarHBondContact O-N 3.13Å; D60-Y62 PolarHBondContact O-N 3.1Å; D60-Y62 VanDerWaalsContact O-N 3.07Å; D60-A63 PolarHBondContact O-N 2.91Å; D60-A63 WeakPolarHBondContact OD1-CA 3.41Å; D60-A63 WeakPolarHBondContact OD1-CB 3.48Å; D60-A63 PolarHBondContact OD1-N 2.98Å; D60-A64 PolarHBondContact O-N 3.21Å; D60-A64 VanDerWaalsContact O-N 3.09Å
61	Y	37.2	Very low	40.7	Very low	73 Å²	73	49.6 Å²	49.6	29%	0.286	25%	0.249	S	C	.	.	H	α-helix	trans	-58.7	-24.9	-175.9	-176.5	-90.5	0	0	0	113	I46 Y50 A65	I46-Y61 HydrophobicContact CD1-CE1 4.1Å; I46-Y61 HydrophobicContact CG2-CD2 3.99Å; I46-Y61 HydrophobicContact CG2-CE1 4.31Å; I46-Y61 HydrophobicContact CG2-CE2 3.48Å; I46-Y61 VanDerWaalsContact CG2-CE2 3.48Å; Y50-Y61 HydrophobicContact CD2-CD2 4.32Å; Y50-Y61 AromaticContact CE2-CD2 3.46Å; Y50-Y61 HydrophobicContact CE2-CD2 3.46Å; Y50-Y61 VanDerWaalsContact CE2-CD2 3.46Å; Y50-Y61 HydrophobicContact CE2-CE2 4.19Å; Y50-Y61 HydrophobicContact CE2-CG 4.11Å; Y50-Y61 WeakPolarHBondContact OH-CA 3.49Å; Y50-Y61 WeakPolarHBondContact OH-CB 3.17Å; Y50-Y61 PolarHBondContact OH-N 3.45Å; Y61-A65 WeakPolarHBondContact O-CB 3.49Å; Y61-A65 PolarHBondContact O-N 3.35Å
62	Y	39.7	Very low	40.6	Very low	20 Å²	20	48.3 Å²	48.3	8%	0.078	23%	0.234	C	C	.	.	H	α-helix	trans	-88.4	-38.4	-175.5	-66.3	-69.9	0	0	0	112.3	D60 A64 A65 A66 T165 I178 D182 V183	D60-Y62 PolarHBondContact O-N 3.1Å; D60-Y62 VanDerWaalsContact O-N 3.07Å; Y62-A64 VanDerWaalsContact C-N 3.27Å; Y62-A64 PolarHBondContact O-N 2.75Å; Y62-A65 CarbonylContact O-C 3.54Å; Y62-A65 WeakPolarHBondContact O-CA 3.24Å; Y62-A65 WeakPolarHBondContact O-CB 3.21Å; Y62-A65 PolarHBondContact O-N 3.29Å; Y62-A65 VanDerWaalsContact O-N 3.1Å; Y62-A66 WeakPolarHBondContact O-CB 3.42Å; Y62-A66 PolarHBondContact O-N 3.36Å; Y62-T165 WeakPolarHBondContact O-CG2 3.39Å; Y62-I178 HydrophobicContact CD1-CD1 3.77Å; Y62-I178 HydrophobicContact CD1-CG2 4.21Å; Y62-I178 HydrophobicContact CE1-CB 4.14Å; Y62-I178 HydrophobicContact CE1-CD1 3.54Å; Y62-I178 HydrophobicContact CE1-CG1 3.8Å; Y62-I178 HydrophobicContact CE1-CG2 3.26Å; Y62-I178 WeakPolarHBondContact OH-CG2 3.4Å; Y62-D182 VanDerWaalsContact OH-C 3.23Å; Y62-D182 PolarHBondContact OH-O 2.78Å; Y62-V183 HydrophobicContact CD2-CG1 3.96Å; Y62-V183 HydrophobicContact CD2-CG2 4.33Å; Y62-V183 HydrophobicContact CE1-CG2 4.25Å; Y62-V183 HydrophobicContact CE2-CB 3.77Å; Y62-V183 HydrophobicContact CE2-CG1 3.58Å; Y62-V183 HydrophobicContact CE2-CG2 3.55Å; Y62-V183 VanDerWaalsContact CZ-CG2 3.47Å; Y62-V183 WeakPolarHBondContact OH-CG2 3.4Å; Y62-V183 PolarHBondContact OH-N 3.13Å
63	A	43.7	Very low	40.6	Very low	2 Å²	2	48.7 Å²	48.7	2%	0.017	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-45.4	165.9	0	0	0	0	0	109.4	T59 D60 A65 A66 W67	T59-A63 HydrophobicContact CG2-CB 3.64Å; D60-A63 PolarHBondContact O-N 2.91Å; D60-A63 WeakPolarHBondContact OD1-CA 3.41Å; D60-A63 WeakPolarHBondContact OD1-CB 3.48Å; D60-A63 PolarHBondContact OD1-N 2.98Å; A63-A65 VanDerWaalsContact C-N 3.32Å; A63-A65 PolarHBondContact O-N 3.45Å; A63-A66 PolarHBondContact O-N 2.99Å; A63-W67 WeakPolarHBondContact O-CB 3.38Å; A63-W67 PolarHBondContact O-N 3.45Å
64	A	42.6	Very low	40.6	Very low	2 Å²	2	47.8 Å²	47.8	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-55.2	-45.4	172.2	0	0	0	0	0	112.1	V49 Y50 D60 Y62 W67 T68	V49-A64 HydrophobicContact CG1-CB 3.6Å; Y50-A64 HydrophobicContact CD2-CB 3.93Å; Y50-A64 HydrophobicContact CE2-CB 3.53Å; D60-A64 PolarHBondContact O-N 3.21Å; D60-A64 VanDerWaalsContact O-N 3.09Å; Y62-A64 VanDerWaalsContact C-N 3.27Å; Y62-A64 PolarHBondContact O-N 2.75Å; A64-W67 PolarHBondContact O-N 3.06Å; A64-T68 VanDerWaalsContact O-CB 3.27Å; A64-T68 WeakPolarHBondContact O-CB 3.17Å; A64-T68 PolarHBondContact O-N 3.16Å; A64-T68 PolarHBondContact O-OG1 3.32Å
65	A	39.8	Very low	40.6	Very low	1 Å²	1	45.6 Å²	45.6	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-40.1	176.6	0	0	0	0	0	115.1	I46 Y61 Y62 A63 T68 I69	I46-A65 HydrophobicContact CD1-CB 3.47Å; I46-A65 VanDerWaalsContact CD1-CB 3.47Å; I46-A65 HydrophobicContact CG1-CB 3.6Å; Y61-A65 WeakPolarHBondContact O-CB 3.49Å; Y61-A65 PolarHBondContact O-N 3.35Å; Y62-A65 CarbonylContact O-C 3.54Å; Y62-A65 WeakPolarHBondContact O-CA 3.24Å; Y62-A65 WeakPolarHBondContact O-CB 3.21Å; Y62-A65 PolarHBondContact O-N 3.29Å; Y62-A65 VanDerWaalsContact O-N 3.1Å; A63-A65 VanDerWaalsContact C-N 3.32Å; A63-A65 PolarHBondContact O-N 3.45Å; A65-T68 VanDerWaalsContact O-CB 3.32Å; A65-T68 WeakPolarHBondContact O-CB 3.32Å; A65-T68 PolarHBondContact O-N 3.46Å; A65-I69 WeakPolarHBondContact O-CB 3.45Å; A65-I69 WeakPolarHBondContact O-CD1 3.16Å; A65-I69 VanDerWaalsContact O-CG1 3.26Å; A65-I69 WeakPolarHBondContact O-CG1 3.46Å; A65-I69 PolarHBondContact O-N 2.91Å
66	A	44	Very low	40.4	Very low	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-43.8	176.5	0	0	0	0	0	110.1	Y62 A63 T68 I69 L70 M118 T165 V168	Y62-A66 WeakPolarHBondContact O-CB 3.42Å; Y62-A66 PolarHBondContact O-N 3.36Å; A63-A66 PolarHBondContact O-N 2.99Å; A66-T68 VanDerWaalsContact C-N 3.34Å; A66-T68 PolarHBondContact O-N 2.61Å; A66-I69 PolarHBondContact O-N 3.16Å; A66-L70 VanDerWaalsContact O-CG 3.26Å; A66-L70 WeakPolarHBondContact O-CG 3.47Å; A66-L70 PolarHBondContact O-N 3.35Å; A66-M118 HydrophobicContact CB-CE 3.99Å; A66-M118 HydrophobicContact CB-SD 3.37Å; A66-M118 WeakPolarHBondContact CB-SD 3.43Å; A66-T165 HydrophobicContact CB-CG2 3.88Å; A66-V168 HydrophobicContact CB-CB 4.36Å; A66-V168 HydrophobicContact CB-CG1 4.08Å
67	W	45.3	Very low	40.3	Very low	56 Å²	56	47.5 Å²	47.5	21%	0.212	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-39.9	172.2	-78.1	115.1	0	0	0	112.6	F55 A63 A64 L70 A71 F109 M118 I119	F55-W67 HydrophobicContact CE1-CB 4.27Å; F55-W67 AromaticContact CE1-CD1 3.45Å; F55-W67 VanDerWaalsContact CE1-CD1 3.45Å; F55-W67 HydrophobicContact CE1-CD2 4.16Å; F55-W67 AromaticContact CE1-CG 3.73Å; F55-W67 HydrophobicContact CE1-CG 3.73Å; F55-W67 AromaticContact CE1-NE1 3.8Å; F55-W67 HydrophobicContact CZ-CB 3.93Å; F55-W67 HydrophobicContact CZ-CD2 4.36Å; F55-W67 AromaticContact CZ-CG 3.85Å; F55-W67 HydrophobicContact CZ-CG 3.85Å; A63-W67 WeakPolarHBondContact O-CB 3.38Å; A63-W67 PolarHBondContact O-N 3.45Å; A64-W67 PolarHBondContact O-N 3.06Å; W67-L70 HydrophobicContact CE3-CD1 4.36Å; W67-L70 PolarHBondContact O-N 2.85Å; W67-A71 WeakPolarHBondContact O-CB 2.89Å; W67-A71 PolarHBondContact O-N 3.37Å; W67-F109 HydrophobicContact CE3-CD1 4.49Å; W67-F109 AromaticContact CE3-CE1 3.72Å; W67-F109 HydrophobicContact CE3-CE1 3.72Å; W67-F109 HydrophobicContact CE3-CE2 4.3Å; W67-F109 AromaticContact CE3-CZ 3.65Å; W67-F109 HydrophobicContact CE3-CZ 3.65Å; W67-F109 AromaticContact CZ3-CD1 3.88Å; W67-F109 HydrophobicContact CZ3-CD1 3.88Å; W67-F109 AromaticContact CZ3-CD2 3.94Å; W67-F109 HydrophobicContact CZ3-CD2 3.94Å; W67-F109 AromaticContact CZ3-CE1 3.46Å; W67-F109 HydrophobicContact CZ3-CE1 3.46Å; W67-F109 VanDerWaalsContact CZ3-CE1 3.46Å; W67-F109 AromaticContact CZ3-CE2 3.58Å; W67-F109 HydrophobicContact CZ3-CE2 3.58Å; W67-F109 HydrophobicContact CZ3-CG 4.13Å; W67-F109 AromaticContact CZ3-CZ 3.34Å; W67-F109 HydrophobicContact CZ3-CZ 3.34Å; W67-M118 HydrophobicContact CD2-CE 3.75Å; W67-M118 HydrophobicContact CE3-CE 4.41Å; W67-M118 HydrophobicContact CG-CE 3.96Å; W67-M118 HydrophobicContact CZ2-CE 4.03Å; W67-I119 HydrophobicContact CH2-CD1 3.9Å; W67-I119 HydrophobicContact CH2-CG1 3.8Å; W67-I119 HydrophobicContact CZ2-CG1 4.3Å; W67-I119 HydrophobicContact CZ3-CD1 4.44Å
68	T	43.8	Very low	40.3	Very low	2 Å²	2	43.1 Å²	43.1	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-48.1	172.3	-76.4	0	0	0	0	111.8	A45 I46 V49 A64 A65 A66 L70 A71 H72	A45-T68 VanDerWaalsContact C-CG2 3.4Å; A45-T68 HydrophobicContact CB-CG2 3.17Å; A45-T68 PolarHBondContact O-OG1 3.07Å; I46-T68 WeakPolarHBondContact CA-OG1 3.16Å; I46-T68 HydrophobicContact CG1-CG2 4.07Å; I46-T68 PolarHBondContact N-OG1 2.95Å; I46-T68 VanDerWaalsContact N-OG1 3.13Å; V49-T68 WeakPolarHBondContact CG2-OG1 3.27Å; A64-T68 VanDerWaalsContact O-CB 3.27Å; A64-T68 WeakPolarHBondContact O-CB 3.17Å; A64-T68 PolarHBondContact O-N 3.16Å; A64-T68 PolarHBondContact O-OG1 3.32Å; A65-T68 VanDerWaalsContact O-CB 3.32Å; A65-T68 WeakPolarHBondContact O-CB 3.32Å; A65-T68 PolarHBondContact O-N 3.46Å; A66-T68 VanDerWaalsContact C-N 3.34Å; A66-T68 PolarHBondContact O-N 2.61Å; T68-L70 VanDerWaalsContact C-N 3.29Å; T68-L70 PolarHBondContact O-N 2.7Å; T68-A71 PolarHBondContact O-N 2.85Å; T68-H72 WeakPolarHBondContact O-CB 3.48Å; T68-H72 PolarHBondContact O-N 2.69Å
69	I	42.5	Very low	39.9	Very low	23 Å²	23	38.6 Å²	38.6	12%	0.118	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-37.1	-179.5	-72.2	164.7	0	0	0	110.2	I42 A65 A66 G73 L169 A172 V174	I42-I69 HydrophobicContact CG1-CG1 4.46Å; I42-I69 HydrophobicContact CG2-CD1 4.44Å; I42-I69 HydrophobicContact CG2-CG1 4.37Å; A65-I69 WeakPolarHBondContact O-CB 3.45Å; A65-I69 WeakPolarHBondContact O-CD1 3.16Å; A65-I69 VanDerWaalsContact O-CG1 3.26Å; A65-I69 WeakPolarHBondContact O-CG1 3.46Å; A65-I69 PolarHBondContact O-N 2.91Å; A66-I69 PolarHBondContact O-N 3.16Å; I69-G73 PolarHBondContact O-N 2.99Å; I69-L169 HydrophobicContact CD1-CD2 3.31Å; I69-A172 HydrophobicContact CG2-CB 3.65Å; I69-V174 HydrophobicContact CD1-CG2 4.26Å
70	L	44.8	Very low	39.5	Very low	8 Å²	8	38.7 Å²	38.7	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-69.3	-42.6	173.7	-67.1	173.8	0	0	0	112.4	A66 W67 T68 H72 G73 L74 F109 A115 M118 V168	A66-L70 VanDerWaalsContact O-CG 3.26Å; A66-L70 WeakPolarHBondContact O-CG 3.47Å; A66-L70 PolarHBondContact O-N 3.35Å; W67-L70 HydrophobicContact CE3-CD1 4.36Å; W67-L70 PolarHBondContact O-N 2.85Å; T68-L70 VanDerWaalsContact C-N 3.29Å; T68-L70 PolarHBondContact O-N 2.7Å; L70-H72 VanDerWaalsContact C-N 3.32Å; L70-H72 PolarHBondContact O-N 3.33Å; L70-G73 CarbonylContact O-C 3.56Å; L70-G73 PolarHBondContact O-N 2.92Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.14Å; L70-F109 HydrophobicContact CB-CD1 4.26Å; L70-F109 HydrophobicContact CB-CE1 3.74Å; L70-F109 HydrophobicContact CD1-CD1 4.3Å; L70-F109 HydrophobicContact CD1-CE1 4.29Å; L70-A115 HydrophobicContact CD1-CB 3.64Å; L70-A115 HydrophobicContact CD2-CB 3.7Å; L70-A115 HydrophobicContact CG-CB 4.26Å; L70-M118 HydrophobicContact CD1-CE 3.83Å; L70-M118 HydrophobicContact CD1-SD 3.95Å; L70-V168 HydrophobicContact CD2-CG1 4.36Å; L70-V168 HydrophobicContact CG-CG1 4.28Å
71	A	44.4	Very low	39.1	Very low	27 Å²	27	40.5 Å²	40.5	22%	0.223	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-40	174.5	0	0	0	0	0	111.1	W67 T68 L74 V75	W67-A71 WeakPolarHBondContact O-CB 2.89Å; W67-A71 PolarHBondContact O-N 3.37Å; T68-A71 PolarHBondContact O-N 2.85Å; A71-L74 WeakPolarHBondContact O-CB 3.48Å; A71-L74 PolarHBondContact O-N 3.05Å; A71-V75 VanDerWaalsContact O-CG2 3.24Å; A71-V75 WeakPolarHBondContact O-CG2 3.44Å; A71-V75 PolarHBondContact O-N 3.45Å
72	H	40.1	Very low	38.9	Very low	55 Å²	55	40.6 Å²	40.6	26%	0.255	23%	0.234	S	C	.	.	H	α-helix	trans	-66.3	-43.2	172.4	-178.5	-78.6	0	0	0	111.3	I33 T68 L70 L74 V75 C76	I33-H72 WeakPolarHBondContact CD1-NE2 3.49Å; T68-H72 WeakPolarHBondContact O-CB 3.48Å; T68-H72 PolarHBondContact O-N 2.69Å; L70-H72 VanDerWaalsContact C-N 3.32Å; L70-H72 PolarHBondContact O-N 3.33Å; H72-L74 VanDerWaalsContact C-N 3.32Å; H72-L74 PolarHBondContact O-N 3.28Å; H72-V75 PolarHBondContact O-N 3.17Å; H72-C76 PolarHBondContact CE1-SG 3.46Å; H72-C76 WeakPolarHBondContact O-CB 3.47Å; H72-C76 PolarHBondContact O-N 2.99Å; H72-C76 PolarHBondContact O-SG 2.69Å; H72-C76 VanDerWaalsContact O-SG 3.35Å
73	G	39.9	Very low	38.8	Very low	21 Å²	21	42.1 Å²	42.1	22%	0.216	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-41.5	174.2	0	0	0	0	0	112.2	I69 L70 C76 Q77	I69-G73 PolarHBondContact O-N 2.99Å; L70-G73 CarbonylContact O-C 3.56Å; L70-G73 PolarHBondContact O-N 2.92Å; G73-C76 PolarHBondContact O-N 2.94Å; G73-Q77 WeakPolarHBondContact O-CB 3.43Å; G73-Q77 PolarHBondContact O-N 2.91Å
74	L	39.2	Very low	38.4	Very low	13 Å²	13	45.6 Å²	45.6	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-50.3	171.5	-80	163.8	0	0	0	111.3	L70 A71 H72 C76 Y78 W86 A108 F109 F112	L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.14Å; A71-L74 WeakPolarHBondContact O-CB 3.48Å; A71-L74 PolarHBondContact O-N 3.05Å; H72-L74 VanDerWaalsContact C-N 3.32Å; H72-L74 PolarHBondContact O-N 3.28Å; L74-C76 VanDerWaalsContact C-N 3.33Å; L74-C76 PolarHBondContact O-N 2.67Å; L74-Y78 HydrophobicContact CD2-CD2 4.05Å; L74-Y78 HydrophobicContact CD2-CE2 3.94Å; L74-Y78 WeakPolarHBondContact O-CB 3.18Å; L74-Y78 WeakPolarHBondContact O-CD2 3.36Å; L74-Y78 PolarHBondContact O-N 3.35Å; L74-W86 HydrophobicContact CD2-CH2 4.28Å; L74-A108 HydrophobicContact CD2-CB 3.8Å; L74-F109 HydrophobicContact CD1-CD1 3.98Å; L74-F109 HydrophobicContact CD1-CE1 3.46Å; L74-F109 VanDerWaalsContact CD1-CE1 3.46Å; L74-F109 HydrophobicContact CD1-CE2 4.26Å; L74-F109 HydrophobicContact CD1-CZ 3.59Å; L74-F112 HydrophobicContact CD2-CD2 4.32Å; L74-F112 HydrophobicContact CD2-CE2 3.39Å; L74-F112 HydrophobicContact CD2-CZ 4.05Å; L74-F112 HydrophobicContact CG-CE2 3.69Å; L74-F112 HydrophobicContact CG-CZ 4.07Å
75	V	36	Very low	38.2	Very low	32 Å²	32	48.7 Å²	48.7	19%	0.194	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-39.9	179.1	168.9	0	0	0	0	111.9	A71 H72 S79 G80	A71-V75 VanDerWaalsContact O-CG2 3.24Å; A71-V75 WeakPolarHBondContact O-CG2 3.44Å; A71-V75 PolarHBondContact O-N 3.45Å; H72-V75 PolarHBondContact O-N 3.17Å; V75-S79 PolarHBondContact O-N 3.49Å; V75-G80 WeakPolarHBondContact CA-O 3.31Å; V75-G80 PolarHBondContact O-N 2.78Å; V75-G80 VanDerWaalsContact O-N 3.08Å
76	C	35.3	Very low	38.2	Very low	74 Å²	74	52.3 Å²	52.3	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-77.1	-41.5	-179.6	-71.1	0	0	0	0	113.6	H72 G73 L74	H72-C76 PolarHBondContact CE1-SG 3.46Å; H72-C76 WeakPolarHBondContact O-CB 3.47Å; H72-C76 PolarHBondContact O-N 2.99Å; H72-C76 PolarHBondContact O-SG 2.69Å; H72-C76 VanDerWaalsContact O-SG 3.35Å; G73-C76 PolarHBondContact O-N 2.94Å; L74-C76 VanDerWaalsContact C-N 3.33Å; L74-C76 PolarHBondContact O-N 2.67Å
77	Q	35.8	Very low	38	Very low	123 Å²	123	54 Å²	54	58%	0.575	31%	0.307	S	S	*	.	H	α-helix	trans	-75.5	-32.4	-178.7	-167.1	174	10.4	0	0	111.8	G73 F112	G73-Q77 WeakPolarHBondContact O-CB 3.43Å; G73-Q77 PolarHBondContact O-N 2.91Å; Q77-F112 HydrophobicContact CB-CZ 4.31Å
78	Y	34.4	Very low	37.9	Very low	93 Å²	93	54.8 Å²	54.8	37%	0.365	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	13.4	177	-67.7	-78.7	0	0	0	114.1	L74 G80 K111 F112	L74-Y78 HydrophobicContact CD2-CD2 4.05Å; L74-Y78 HydrophobicContact CD2-CE2 3.94Å; L74-Y78 WeakPolarHBondContact O-CB 3.18Å; L74-Y78 WeakPolarHBondContact O-CD2 3.36Å; L74-Y78 PolarHBondContact O-N 3.35Å; Y78-G80 VanDerWaalsContact C-N 3.26Å; Y78-G80 PolarHBondContact O-N 3.47Å; Y78-G80 VanDerWaalsContact O-N 3.17Å; Y78-K111 WeakPolarHBondContact OH-CD 3.08Å; Y78-K111 WeakPolarHBondContact OH-CE 3.48Å; Y78-K111 PolarHBondContact OH-NZ 2.88Å; Y78-F112 HydrophobicContact CE2-CE2 4.3Å; Y78-F112 HydrophobicContact CE2-CZ 4.48Å
79	S	30.6	Very low	38.2	Very low	115 Å²	115	56.8 Å²	56.8	80%	0.804	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	42.7	173.8	-51.4	0	0	0	0	114	V75	V75-S79 PolarHBondContact O-N 3.49Å
80	G	30.5	Very low	38.5	Very low	26 Å²	26	60.7 Å²	60.7	27%	0.268	34%	0.342	S	S	.	.	S	Bend	trans	-174.1	139.1	-176.6	0	0	0	0	0	113	V75 Y78	V75-G80 WeakPolarHBondContact CA-O 3.31Å; V75-G80 PolarHBondContact O-N 2.78Å; V75-G80 VanDerWaalsContact O-N 3.08Å; Y78-G80 VanDerWaalsContact C-N 3.26Å; Y78-G80 PolarHBondContact O-N 3.47Å; Y78-G80 VanDerWaalsContact O-N 3.17Å
81	L	32.4	Very low	39.1	Very low	84 Å²	84	66 Å²	66	44%	0.44	38%	0.377	S	S	.	.	S	Bend	trans	-41.4	160.2	155.4	-69	152.5	0	0	0	109.8	L31 T83	L31-L81 HydrophobicContact CB-CD2 4.26Å; L31-L81 HydrophobicContact CD1-CD2 4.23Å; L81-T83 WeakPolarHBondContact O-CG2 3.37Å; L81-T83 PolarHBondContact O-N 2.74Å
82	P	32.9	Very low	39.7	Very low	76 Å²	76	72 Å²	72	49%	0.494	39%	0.393	S	S	.	.	S	Bend	trans	-55.2	96.2	158.3	23.3	-29.8	0	0	0	107.6
83	T	36.3	Very low	40.4	Very low	52 Å²	52	75.5 Å²	75.5	32%	0.319	41%	0.414	S	S	.	.			trans	-76.1	164.3	-177.8	53.3	0	0	0	0	108.5	L81 D85 W86	L81-T83 WeakPolarHBondContact O-CG2 3.37Å; L81-T83 PolarHBondContact O-N 2.74Å; T83-D85 PolarHBondContact O-N 3.32Å; T83-D85 PolarHBondContact OG1-OD2 3.14Å; T83-W86 PolarHBondContact O-N 3.27Å
84	S	35.2	Very low	41.4	Very low	75 Å²	75	82.4 Å²	82.4	52%	0.524	43%	0.434	S	S	.	.	H	α-helix	trans	-41.2	-37.8	169.3	39.4	0	0	0	0	112.3	W86 M87 Y88	S84-W86 PolarHBondContact O-N 2.93Å; S84-M87 PolarHBondContact O-N 3.45Å; S84-Y88 WeakPolarHBondContact O-CB 3.48Å; S84-Y88 VanDerWaalsContact O-CD2 3.27Å; S84-Y88 WeakPolarHBondContact O-CD2 3.49Å; S84-Y88 PolarHBondContact O-N 3.47Å
85	D	39	Very low	41.7	Very low	67 Å²	67	87.7 Å²	87.7	36%	0.358	46%	0.456	S	S	.	.	H	α-helix	trans	-59.2	-23.2	-176.5	-38.9	-27.1	0	0	0	114	T83 Y88 L90 R104	T83-D85 PolarHBondContact O-N 3.32Å; T83-D85 PolarHBondContact OG1-OD2 3.14Å; D85-Y88 VanDerWaalsContact O-O 3.05Å; D85-L90 HydrophobicContact CB-CD1 3.74Å; D85-L90 HydrophobicContact CB-CG 4.15Å; D85-L90 WeakPolarHBondContact OD1-CD2 3.37Å; D85-R104 PolarHBondContact O-NH1 2.88Å; D85-R104 VanDerWaalsContact O-NH1 3.13Å
86	W	40.1	Very low	42.3	Very low	76 Å²	76	87 Å²	87	29%	0.288	45%	0.451	S	S	.	.	H	α-helix	trans	-81.7	-37.4	177.4	-82.9	55.6	0	0	0	112.9	L74 T83 S84 I96 R104 L105 A108	L74-W86 HydrophobicContact CD2-CH2 4.28Å; T83-W86 PolarHBondContact O-N 3.27Å; S84-W86 PolarHBondContact O-N 2.93Å; W86-I96 WeakPolarHBondContact O-CD1 3.34Å; W86-R104 PolarHBondContact O-NH1 2.95Å; W86-L105 HydrophobicContact CE3-CD2 4.5Å; W86-L105 HydrophobicContact CZ3-CD2 3.86Å; W86-L105 HydrophobicContact CZ3-CG 4.47Å; W86-A108 HydrophobicContact CH2-CB 3.66Å; W86-A108 HydrophobicContact CZ3-CB 4.3Å
87	M	39.5	Very low	43.1	Very low	36 Å²	36	86.4 Å²	86.4	18%	0.177	45%	0.448	C	S	.	.	H	α-helix	trans	-92.6	-13.9	-177	-58.9	-171.4	87.4	0	0	112.4	W22 S84 K95 I96 M101	W22-M87 HydrophobicContact CH2-CE 4.36Å; W22-M87 HydrophobicContact CH2-SD 3.97Å; W22-M87 HydrophobicContact CZ2-CE 3.84Å; W22-M87 HydrophobicContact CZ2-SD 4.06Å; S84-M87 PolarHBondContact O-N 3.45Å; M87-K95 CarbonylContact O-C 3.52Å; M87-K95 VanDerWaalsContact O-CA 3.3Å; M87-K95 WeakPolarHBondContact O-CA 3.37Å; M87-I96 PolarHBondContact O-N 3.37Å; M87-M101 HydrophobicContact CE-CE 4.3Å; M87-M101 HydrophobicContact CE-SD 4.32Å
88	Y	42.5	Very low	43.5	Very low	72 Å²	72	86.1 Å²	86.1	28%	0.282	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.1	-177.1	-66.9	-96.6	0	0	0	110.8	S84 D85 L90 W94 K95	S84-Y88 WeakPolarHBondContact O-CB 3.48Å; S84-Y88 VanDerWaalsContact O-CD2 3.27Å; S84-Y88 WeakPolarHBondContact O-CD2 3.49Å; S84-Y88 PolarHBondContact O-N 3.47Å; D85-Y88 VanDerWaalsContact O-O 3.05Å; Y88-L90 PolarHBondContact O-N 3.48Å; Y88-W94 CarbonylContact C-O 3.56Å; Y88-W94 WeakPolarHBondContact CA-O 3.43Å; Y88-K95 HydrophobicContact CD1-CB 4.27Å; Y88-K95 HydrophobicContact CE1-CB 3.96Å
89	D	50.3	Low	44	Very low	45 Å²	45	86.5 Å²	86.5	24%	0.241	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	95	163.5	-175.9	10.7	0	0	0	107.3	P91 R92 D93 W94 I96	D89-P91 VanDerWaalsContact C-N 3.33Å; D89-P91 VanDerWaalsContact OD1-CD 3.24Å; D89-P91 WeakPolarHBondContact OD1-CD 3.4Å; D89-R92 HydrophobicContact CB-CB 4.29Å; D89-R92 CarbonylContact O-C 3.6Å; D89-R92 WeakPolarHBondContact O-CA 3.39Å; D89-R92 PolarHBondContact O-N 2.66Å; D89-R92 WeakPolarHBondContact OD2-CD 3.4Å; D89-R92 WeakPolarHBondContact OD2-CG 3.37Å; D89-R92 IonicContact OD2-NE 2.63Å; D89-D93 PolarHBondContact O-N 2.8Å; D89-W94 PolarHBondContact N-O 2.72Å; D89-I96 HydrophobicContact CB-CG2 4.25Å
90	L	49.4	Very low	44.9	Very low	105 Å²	105	84.5 Å²	84.5	55%	0.55	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-44.8	-175.7	-80.3	171.8	0	0	0	114.1	D85 Y88 R92	D85-L90 HydrophobicContact CB-CD1 3.74Å; D85-L90 HydrophobicContact CB-CG 4.15Å; D85-L90 WeakPolarHBondContact OD1-CD2 3.37Å; Y88-L90 PolarHBondContact O-N 3.48Å; L90-R92 PolarHBondContact O-N 2.83Å
91	P	58	Low	45.8	Very low	118 Å²	118	85.9 Å²	85.9	77%	0.766	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.7	172.5	-28	29.4	0	0	0	115.9	D89	D89-P91 VanDerWaalsContact C-N 3.33Å; D89-P91 VanDerWaalsContact OD1-CD 3.24Å; D89-P91 WeakPolarHBondContact OD1-CD 3.4Å
92	R	56	Low	46.3	Very low	153 Å²	153	87.3 Å²	87.3	58%	0.577	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-10.7	-175.1	-61.4	-171.7	-177.2	-165.2	-1.2	113.4	D89 L90 W94	D89-R92 HydrophobicContact CB-CB 4.29Å; D89-R92 CarbonylContact O-C 3.6Å; D89-R92 WeakPolarHBondContact O-CA 3.39Å; D89-R92 PolarHBondContact O-N 2.66Å; D89-R92 WeakPolarHBondContact OD2-CD 3.4Å; D89-R92 WeakPolarHBondContact OD2-CG 3.37Å; D89-R92 IonicContact OD2-NE 2.63Å; L90-R92 PolarHBondContact O-N 2.83Å; R92-W94 HydrophobicContact CB-CB 4.17Å; R92-W94 HydrophobicContact CB-CD2 3.92Å; R92-W94 HydrophobicContact CB-CE3 4.19Å; R92-W94 HydrophobicContact CB-CG 3.93Å; R92-W94 PolarHBondContact O-N 3.47Å; R92-W94 PolarHBondContact O-NE1 2.88Å
93	D	55.4	Low	47	Very low	129 Å²	129	87.3 Å²	87.3	69%	0.69	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	30.3	-171.6	-140.8	12.5	0	0	0	112.7	D89	D89-D93 PolarHBondContact O-N 2.8Å
94	W	60	Low	47.5	Very low	167 Å²	167	87.7 Å²	87.7	63%	0.633	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.4	-176	-72.2	-3.6	0	0	0	111.4	Y88 D89 R92 I96	Y88-W94 CarbonylContact C-O 3.56Å; Y88-W94 WeakPolarHBondContact CA-O 3.43Å; D89-W94 PolarHBondContact N-O 2.72Å; R92-W94 HydrophobicContact CB-CB 4.17Å; R92-W94 HydrophobicContact CB-CD2 3.92Å; R92-W94 HydrophobicContact CB-CE3 4.19Å; R92-W94 HydrophobicContact CB-CG 3.93Å; R92-W94 PolarHBondContact O-N 3.47Å; R92-W94 PolarHBondContact O-NE1 2.88Å; W94-I96 PolarHBondContact O-N 2.79Å
95	K	46.3	Very low	48.1	Very low	123 Å²	123	86.4 Å²	86.4	54%	0.535	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126.6	170.6	-169.3	179.4	179.1	-177.4	0	109.6	M87 Y88	M87-K95 CarbonylContact O-C 3.52Å; M87-K95 VanDerWaalsContact O-CA 3.3Å; M87-K95 WeakPolarHBondContact O-CA 3.37Å; Y88-K95 HydrophobicContact CD1-CB 4.27Å; Y88-K95 HydrophobicContact CE1-CB 3.96Å
96	I	48.6	Very low	48.4	Very low	17 Å²	17	84.1 Å²	84.1	9%	0.087	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-69.9	157.7	176.9	69.1	177.7	0	0	0	111.2	W86 M87 D89 W94 E100 M101	W86-I96 WeakPolarHBondContact O-CD1 3.34Å; M87-I96 PolarHBondContact O-N 3.37Å; D89-I96 HydrophobicContact CB-CG2 4.25Å; W94-I96 PolarHBondContact O-N 2.79Å; I96-E100 HydrophobicContact CB-CB 4.19Å; I96-E100 HydrophobicContact CB-CG 4.32Å; I96-E100 HydrophobicContact CD1-CB 4.35Å; I96-E100 HydrophobicContact CD1-CG 4.26Å; I96-M101 HydrophobicContact CD1-CB 3.85Å; I96-M101 HydrophobicContact CG1-CB 4.19Å
97	S	52.9	Low	48.7	Very low	62 Å²	62	87.5 Å²	87.5	43%	0.434	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-66.5	157.5	175.3	71.4	0	0	0	0	111.9	T99 E100 M101	S97-T99 PolarHBondContact O-N 2.77Å; S97-E100 PolarHBondContact O-N 2.66Å; S97-E100 VanDerWaalsContact O-N 3.15Å; S97-E100 WeakPolarHBondContact OG-CB 3.21Å; S97-E100 PolarHBondContact OG-N 2.72Å; S97-E100 VanDerWaalsContact OG-N 3.11Å; S97-M101 PolarHBondContact O-N 3.31Å
98	T	44.3	Very low	48.9	Very low	117 Å²	117	86.3 Å²	86.3	72%	0.718	42%	0.424	S	S	*	.	H	α-helix	trans	-55	-38.5	172.9	-50.2	0	0	0	0	111.8	M101 H102	T98-M101 PolarHBondContact O-N 3.09Å; T98-H102 PolarHBondContact O-N 3.39Å
99	T	44.6	Very low	48.8	Very low	101 Å²	101	83.6 Å²	83.6	62%	0.62	41%	0.414	S	S	*	.	H	α-helix	trans	-61.7	-49.4	176.8	-50.5	0	0	0	0	111.1	S97 M101 H102 D103	S97-T99 PolarHBondContact O-N 2.77Å; T99-M101 VanDerWaalsContact C-N 3.34Å; T99-M101 PolarHBondContact O-N 2.85Å; T99-H102 WeakPolarHBondContact O-CB 3.26Å; T99-H102 PolarHBondContact O-N 2.63Å; T99-D103 PolarHBondContact O-N 3.48Å
100	E	49.6	Very low	48.4	Very low	73 Å²	73	84.8 Å²	84.8	34%	0.341	42%	0.419	S	S	.	.	H	α-helix	trans	-67	-36.1	-179.2	-170.1	176.6	160.3	0	0	112.2	I96 S97 H102 D103 R104	I96-E100 HydrophobicContact CB-CB 4.19Å; I96-E100 HydrophobicContact CB-CG 4.32Å; I96-E100 HydrophobicContact CD1-CB 4.35Å; I96-E100 HydrophobicContact CD1-CG 4.26Å; S97-E100 PolarHBondContact O-N 2.66Å; S97-E100 VanDerWaalsContact O-N 3.15Å; S97-E100 WeakPolarHBondContact OG-CB 3.21Å; S97-E100 PolarHBondContact OG-N 2.72Å; S97-E100 VanDerWaalsContact OG-N 3.11Å; E100-H102 VanDerWaalsContact C-N 3.34Å; E100-D103 PolarHBondContact O-N 3.31Å; E100-R104 WeakPolarHBondContact O-CG 3.24Å; E100-R104 PolarHBondContact O-N 2.86Å; E100-R104 IonicContact OE1-CZ 2.69Å; E100-R104 IonicContact OE1-NE 2.93Å; E100-R104 IonicContact OE1-NH2 3.66Å; E100-R104 PolarHBondContact OE1-NH2 2.88Å
101	M	47.8	Very low	48	Very low	55 Å²	55	86.2 Å²	86.2	27%	0.271	42%	0.421	S	S	.	.	H	α-helix	trans	-61.6	-43.1	172.6	-173.9	178.3	178.9	0	0	111.5	M87 I96 S97 T98 T99 D103 R104 L105	M87-M101 HydrophobicContact CE-CE 4.3Å; M87-M101 HydrophobicContact CE-SD 4.32Å; I96-M101 HydrophobicContact CD1-CB 3.85Å; I96-M101 HydrophobicContact CG1-CB 4.19Å; S97-M101 PolarHBondContact O-N 3.31Å; T98-M101 PolarHBondContact O-N 3.09Å; T99-M101 VanDerWaalsContact C-N 3.34Å; T99-M101 PolarHBondContact O-N 2.85Å; M101-D103 VanDerWaalsContact C-N 3.34Å; M101-D103 PolarHBondContact O-N 3.41Å; M101-R104 PolarHBondContact O-N 3.12Å; M101-L105 HydrophobicContact CE-CD1 4.35Å; M101-L105 HydrophobicContact CG-CD1 4.23Å; M101-L105 WeakPolarHBondContact O-CB 3.22Å; M101-L105 WeakPolarHBondContact O-CG 3.48Å; M101-L105 PolarHBondContact O-N 3.41Å
102	H	44.6	Very low	47.1	Very low	115 Å²	115	81.9 Å²	81.9	53%	0.532	39%	0.391	S	S	.	.	H	α-helix	trans	-60	-43.6	174.9	-121.1	77	0	0	0	111.6	T98 T99 E100 L105 N106	T98-H102 PolarHBondContact O-N 3.39Å; T99-H102 WeakPolarHBondContact O-CB 3.26Å; T99-H102 PolarHBondContact O-N 2.63Å; E100-H102 VanDerWaalsContact C-N 3.34Å; H102-L105 PolarHBondContact O-N 2.84Å; H102-N106 WeakPolarHBondContact O-CB 3.35Å; H102-N106 VanDerWaalsContact O-CG 3.23Å; H102-N106 PolarHBondContact O-N 3.16Å; H102-N106 PolarHBondContact O-ND2 3.45Å
103	D	47	Very low	46.3	Very low	75 Å²	75	79.5 Å²	79.5	40%	0.401	40%	0.395	S	S	.	.	H	α-helix	trans	-65.4	-38.8	177.1	-80.7	-2.3	0	0	0	113	T99 E100 M101 R107	T99-D103 PolarHBondContact O-N 3.48Å; E100-D103 PolarHBondContact O-N 3.31Å; M101-D103 VanDerWaalsContact C-N 3.34Å; M101-D103 PolarHBondContact O-N 3.41Å; D103-R107 WeakPolarHBondContact O-CB 3.27Å; D103-R107 WeakPolarHBondContact O-CG 3.38Å; D103-R107 PolarHBondContact O-N 3.23Å; D103-R107 PolarHBondContact O-NE 3.33Å
104	R	47.6	Very low	45.5	Very low	60 Å²	60	74.2 Å²	74.2	23%	0.226	37%	0.369	C	S	.	.	H	α-helix	trans	-64.6	-46.3	174.7	-72.6	-177.8	-171.3	-162.4	-1.1	111	D85 W86 E100 M101 R107 A108	D85-R104 PolarHBondContact O-NH1 2.88Å; D85-R104 VanDerWaalsContact O-NH1 3.13Å; W86-R104 PolarHBondContact O-NH1 2.95Å; E100-R104 WeakPolarHBondContact O-CG 3.24Å; E100-R104 PolarHBondContact O-N 2.86Å; E100-R104 IonicContact OE1-CZ 2.69Å; E100-R104 IonicContact OE1-NE 2.93Å; E100-R104 IonicContact OE1-NH2 3.66Å; E100-R104 PolarHBondContact OE1-NH2 2.88Å; M101-R104 PolarHBondContact O-N 3.12Å; R104-R107 PolarHBondContact O-N 2.91Å; R104-A108 WeakPolarHBondContact O-CB 3.46Å; R104-A108 PolarHBondContact O-N 3.47Å
105	L	46.7	Very low	44.5	Very low	49 Å²	49	66.2 Å²	66.2	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-58.1	-54.4	175	-79.3	165	0	0	0	110.6	W86 M101 H102 R107 A108 F109	W86-L105 HydrophobicContact CE3-CD2 4.5Å; W86-L105 HydrophobicContact CZ3-CD2 3.86Å; W86-L105 HydrophobicContact CZ3-CG 4.47Å; M101-L105 HydrophobicContact CE-CD1 4.35Å; M101-L105 HydrophobicContact CG-CD1 4.23Å; M101-L105 WeakPolarHBondContact O-CB 3.22Å; M101-L105 WeakPolarHBondContact O-CG 3.48Å; M101-L105 PolarHBondContact O-N 3.41Å; H102-L105 PolarHBondContact O-N 2.84Å; L105-R107 VanDerWaalsContact C-N 3.32Å; L105-R107 PolarHBondContact O-N 3.25Å; L105-A108 PolarHBondContact O-N 2.96Å; L105-F109 HydrophobicContact CB-CD2 4.25Å; L105-F109 HydrophobicContact CB-CE2 4.05Å; L105-F109 HydrophobicContact CD2-CE2 3.86Å; L105-F109 WeakPolarHBondContact O-CD2 3.17Å; L105-F109 PolarHBondContact O-N 3.22Å
106	N	45.3	Very low	44.2	Very low	19 Å²	19	62 Å²	62	10%	0.102	32%	0.323	C	S	.	.	H	α-helix	trans	-52.9	-48.6	178.5	-76.4	-30.4	0	0	0	111.5	H102 A108 F109 L110	H102-N106 WeakPolarHBondContact O-CB 3.35Å; H102-N106 VanDerWaalsContact O-CG 3.23Å; H102-N106 PolarHBondContact O-N 3.16Å; H102-N106 PolarHBondContact O-ND2 3.45Å; N106-A108 PolarHBondContact O-N 2.73Å; N106-F109 PolarHBondContact O-N 3.19Å; N106-L110 WeakPolarHBondContact O-CG 3.43Å; N106-L110 PolarHBondContact O-N 3.4Å
107	R	45.8	Very low	43.7	Very low	147 Å²	147	64.2 Å²	64.2	56%	0.555	34%	0.335	S	S	*	.	H	α-helix	trans	-63.3	-37.9	177.1	-77.1	-176.6	-76.6	-169.3	-4.6	113.5	D103 R104 L105	D103-R107 WeakPolarHBondContact O-CB 3.27Å; D103-R107 WeakPolarHBondContact O-CG 3.38Å; D103-R107 PolarHBondContact O-N 3.23Å; D103-R107 PolarHBondContact O-NE 3.33Å; R104-R107 PolarHBondContact O-N 2.91Å; L105-R107 VanDerWaalsContact C-N 3.32Å; L105-R107 PolarHBondContact O-N 3.25Å
108	A	43.6	Very low	43	Very low	10 Å²	10	61.6 Å²	61.6	8%	0.083	32%	0.316	C	S	.	.	H	α-helix	trans	-68.1	-40.8	176.6	0	0	0	0	0	111.4	L74 W86 R104 L105 N106 K111 F112	L74-A108 HydrophobicContact CD2-CB 3.8Å; W86-A108 HydrophobicContact CH2-CB 3.66Å; W86-A108 HydrophobicContact CZ3-CB 4.3Å; R104-A108 WeakPolarHBondContact O-CB 3.46Å; R104-A108 PolarHBondContact O-N 3.47Å; L105-A108 PolarHBondContact O-N 2.96Å; N106-A108 PolarHBondContact O-N 2.73Å; A108-K111 PolarHBondContact O-N 3.27Å; A108-F112 WeakPolarHBondContact O-CD2 3.28Å
109	F	41.2	Very low	42.8	Very low	16 Å²	16	56.1 Å²	56.1	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-40.4	175.3	-76.8	-66.7	0	0	0	112.3	W67 L70 L74 L105 N106 K111 F112 A115 I119	W67-F109 HydrophobicContact CE3-CD1 4.49Å; W67-F109 AromaticContact CE3-CE1 3.72Å; W67-F109 HydrophobicContact CE3-CE1 3.72Å; W67-F109 HydrophobicContact CE3-CE2 4.3Å; W67-F109 AromaticContact CE3-CZ 3.65Å; W67-F109 HydrophobicContact CE3-CZ 3.65Å; W67-F109 AromaticContact CZ3-CD1 3.88Å; W67-F109 HydrophobicContact CZ3-CD1 3.88Å; W67-F109 AromaticContact CZ3-CD2 3.94Å; W67-F109 HydrophobicContact CZ3-CD2 3.94Å; W67-F109 AromaticContact CZ3-CE1 3.46Å; W67-F109 HydrophobicContact CZ3-CE1 3.46Å; W67-F109 VanDerWaalsContact CZ3-CE1 3.46Å; W67-F109 AromaticContact CZ3-CE2 3.58Å; W67-F109 HydrophobicContact CZ3-CE2 3.58Å; W67-F109 HydrophobicContact CZ3-CG 4.13Å; W67-F109 AromaticContact CZ3-CZ 3.34Å; W67-F109 HydrophobicContact CZ3-CZ 3.34Å; L70-F109 HydrophobicContact CB-CD1 4.26Å; L70-F109 HydrophobicContact CB-CE1 3.74Å; L70-F109 HydrophobicContact CD1-CD1 4.3Å; L70-F109 HydrophobicContact CD1-CE1 4.29Å; L74-F109 HydrophobicContact CD1-CD1 3.98Å; L74-F109 HydrophobicContact CD1-CE1 3.46Å; L74-F109 VanDerWaalsContact CD1-CE1 3.46Å; L74-F109 HydrophobicContact CD1-CE2 4.26Å; L74-F109 HydrophobicContact CD1-CZ 3.59Å; L105-F109 HydrophobicContact CB-CD2 4.25Å; L105-F109 HydrophobicContact CB-CE2 4.05Å; L105-F109 HydrophobicContact CD2-CE2 3.86Å; L105-F109 WeakPolarHBondContact O-CD2 3.17Å; L105-F109 PolarHBondContact O-N 3.22Å; N106-F109 PolarHBondContact O-N 3.19Å; F109-K111 PolarHBondContact O-N 3Å; F109-F112 PolarHBondContact O-N 2.73Å; F109-A115 HydrophobicContact CB-CB 4.11Å; F109-A115 HydrophobicContact CD1-CB 3.92Å; F109-A115 HydrophobicContact CG-CB 4.49Å; F109-A115 WeakPolarHBondContact O-CB 3.2Å; F109-I119 HydrophobicContact CB-CD1 3.58Å; F109-I119 HydrophobicContact CD2-CD1 4.44Å; F109-I119 HydrophobicContact CG-CD1 3.99Å
110	L	40.9	Very low	42.4	Very low	69 Å²	69	54.8 Å²	54.8	36%	0.361	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-23	176.3	-75.3	176.9	0	0	0	114.3	N106 F112 T116 L256	N106-L110 WeakPolarHBondContact O-CG 3.43Å; N106-L110 PolarHBondContact O-N 3.4Å; L110-F112 PolarHBondContact O-N 2.9Å; L110-T116 WeakPolarHBondContact CA-OG1 2.93Å; L110-T116 HydrophobicContact CD2-CG2 4.32Å; L110-T116 PolarHBondContact O-OG1 3.01Å; L110-L256 HydrophobicContact CD1-CD1 3.31Å; L110-L256 HydrophobicContact CD2-CD1 3.76Å; L110-L256 HydrophobicContact CD2-CD2 3.73Å; L110-L256 HydrophobicContact CD2-CG 4.35Å; L110-L256 HydrophobicContact CG-CD1 3.77Å; L110-L256 HydrophobicContact CG-CD2 4.43Å
111	K	41.4	Very low	42	Very low	136 Å²	136	52.9 Å²	52.9	59%	0.591	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.2	177.3	-51.5	-148.2	-146	154.9	0	113.2	Y78 A108 F109 P113	Y78-K111 WeakPolarHBondContact OH-CD 3.08Å; Y78-K111 WeakPolarHBondContact OH-CE 3.48Å; Y78-K111 PolarHBondContact OH-NZ 2.88Å; A108-K111 PolarHBondContact O-N 3.27Å; F109-K111 PolarHBondContact O-N 3Å; K111-P113 WeakPolarHBondContact O-CD 3.41Å
112	F	39.2	Very low	41.6	Very low	27 Å²	27	51 Å²	51	12%	0.118	26%	0.259	C	S	.	.	S	Bend	trans	-99.8	111.2	173.2	-65.5	-94.5	0	0	0	108.6	L74 Q77 Y78 A108 F109 L110 A114 A115 T116	L74-F112 HydrophobicContact CD2-CD2 4.32Å; L74-F112 HydrophobicContact CD2-CE2 3.39Å; L74-F112 HydrophobicContact CD2-CZ 4.05Å; L74-F112 HydrophobicContact CG-CE2 3.69Å; L74-F112 HydrophobicContact CG-CZ 4.07Å; Q77-F112 HydrophobicContact CB-CZ 4.31Å; Y78-F112 HydrophobicContact CE2-CE2 4.3Å; Y78-F112 HydrophobicContact CE2-CZ 4.48Å; A108-F112 WeakPolarHBondContact O-CD2 3.28Å; F109-F112 PolarHBondContact O-N 2.73Å; L110-F112 PolarHBondContact O-N 2.9Å; F112-A114 PolarHBondContact O-N 3.38Å; F112-A115 HydrophobicContact CB-CB 3.75Å; F112-A115 PolarHBondContact O-N 2.94Å; F112-T116 PolarHBondContact O-N 2.97Å; F112-T116 PolarHBondContact O-OG1 3Å
113	P	40.7	Very low	41.4	Very low	102 Å²	102	47.7 Å²	47.7	66%	0.662	24%	0.243	S	C	*	.	H	α-helix	trans	-50.9	-36.4	175.7	-27.5	34.4	0	0	0	112.6	K111 D117	K111-P113 WeakPolarHBondContact O-CD 3.41Å; P113-D117 VanDerWaalsContact O-CG 3.3Å; P113-D117 PolarHBondContact O-N 3.13Å
114	A	38.2	Very low	41	Very low	18 Å²	18	45.9 Å²	45.9	15%	0.149	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-37.7	177.3	0	0	0	0	0	114	F112 M118 V168 L171	F112-A114 PolarHBondContact O-N 3.38Å; A114-M118 WeakPolarHBondContact O-CB 3.32Å; A114-M118 PolarHBondContact O-N 3.2Å; A114-M118 VanDerWaalsContact O-N 3.14Å; A114-V168 HydrophobicContact CB-CG2 4.2Å; A114-V168 WeakPolarHBondContact O-CG2 3.24Å; A114-L171 HydrophobicContact CB-CB 4.36Å; A114-L171 HydrophobicContact CB-CD1 3.51Å
115	A	39	Very low	40.8	Very low	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-76.6	-36.2	177.5	0	0	0	0	0	111.2	L70 F109 F112 D117 M118 I119	L70-A115 HydrophobicContact CD1-CB 3.64Å; L70-A115 HydrophobicContact CD2-CB 3.7Å; L70-A115 HydrophobicContact CG-CB 4.26Å; F109-A115 HydrophobicContact CB-CB 4.11Å; F109-A115 HydrophobicContact CD1-CB 3.92Å; F109-A115 HydrophobicContact CG-CB 4.49Å; F109-A115 WeakPolarHBondContact O-CB 3.2Å; F112-A115 HydrophobicContact CB-CB 3.75Å; F112-A115 PolarHBondContact O-N 2.94Å; A115-D117 VanDerWaalsContact C-N 3.35Å; A115-M118 PolarHBondContact O-N 3.4Å; A115-I119 VanDerWaalsContact O-CB 3.3Å; A115-I119 WeakPolarHBondContact O-CB 3.37Å; A115-I119 VanDerWaalsContact O-CG1 3.27Å; A115-I119 WeakPolarHBondContact O-CG1 3.22Å; A115-I119 PolarHBondContact O-N 3.49Å
116	T	39	Very low	40.4	Very low	35 Å²	35	49.1 Å²	49.1	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-54.4	-54.3	168.5	-55.5	0	0	0	0	108.7	L110 F112 M118 I119 M120	L110-T116 WeakPolarHBondContact CA-OG1 2.93Å; L110-T116 HydrophobicContact CD2-CG2 4.32Å; L110-T116 PolarHBondContact O-OG1 3.01Å; F112-T116 PolarHBondContact O-N 2.97Å; F112-T116 PolarHBondContact O-OG1 3Å; T116-M118 PolarHBondContact O-N 3.3Å; T116-M118 VanDerWaalsContact O-N 3.13Å; T116-I119 PolarHBondContact O-N 2.85Å; T116-M120 HydrophobicContact CG2-CG 3.76Å; T116-M120 WeakPolarHBondContact O-CA 3.35Å; T116-M120 WeakPolarHBondContact O-CB 3.45Å; T116-M120 WeakPolarHBondContact O-CG 3.06Å; T116-M120 PolarHBondContact O-N 3.01Å
117	D	37.9	Very low	40.1	Very low	62 Å²	62	50.8 Å²	50.8	33%	0.332	25%	0.254	S	S	.	.	H	α-helix	trans	-56.5	-35.3	177.4	-71.4	-13.5	0	0	0	113.7	P113 A115 A121 K167	P113-D117 VanDerWaalsContact O-CG 3.3Å; P113-D117 PolarHBondContact O-N 3.13Å; A115-D117 VanDerWaalsContact C-N 3.35Å; D117-A121 VanDerWaalsContact O-CB 3.22Å; D117-A121 WeakPolarHBondContact O-CB 3.31Å; D117-A121 PolarHBondContact O-N 2.77Å; D117-K167 HydrophobicContact CB-CD 4.47Å; D117-K167 VanDerWaalsContact OD2-CE 3.31Å; D117-K167 WeakPolarHBondContact OD2-CE 3.47Å; D117-K167 IonicContact OD2-NZ 3.89Å; D117-K167 PolarHBondContact OD2-NZ 3.27Å
118	M	38.9	Very low	40.1	Very low	7 Å²	7	45.7 Å²	45.7	3%	0.034	24%	0.235	C	C	.	.	H	α-helix	trans	-77.6	-43.6	-177.6	-159.7	-173.4	98.9	0	0	114.4	A66 W67 L70 A114 A115 T116 M120 S122 S164 V168	A66-M118 HydrophobicContact CB-CE 3.99Å; A66-M118 HydrophobicContact CB-SD 3.37Å; A66-M118 WeakPolarHBondContact CB-SD 3.43Å; W67-M118 HydrophobicContact CD2-CE 3.75Å; W67-M118 HydrophobicContact CE3-CE 4.41Å; W67-M118 HydrophobicContact CG-CE 3.96Å; W67-M118 HydrophobicContact CZ2-CE 4.03Å; L70-M118 HydrophobicContact CD1-CE 3.83Å; L70-M118 HydrophobicContact CD1-SD 3.95Å; A114-M118 WeakPolarHBondContact O-CB 3.32Å; A114-M118 PolarHBondContact O-N 3.2Å; A114-M118 VanDerWaalsContact O-N 3.14Å; A115-M118 PolarHBondContact O-N 3.4Å; T116-M118 PolarHBondContact O-N 3.3Å; T116-M118 VanDerWaalsContact O-N 3.13Å; M118-M120 VanDerWaalsContact C-N 3.34Å; M118-S122 WeakPolarHBondContact O-CB 3.44Å; M118-S122 PolarHBondContact O-N 2.93Å; M118-S122 VanDerWaalsContact O-N 3.16Å; M118-S122 PolarHBondContact O-OG 3.28Å; M118-S164 VanDerWaalsContact CA-CB 3.41Å; M118-S164 WeakPolarHBondContact CG-OG 3.49Å; M118-V168 HydrophobicContact CB-CG2 3.86Å; M118-V168 HydrophobicContact CG-CG2 4Å; M118-V168 HydrophobicContact SD-CB 4.18Å; M118-V168 HydrophobicContact SD-CG1 4.44Å; M118-V168 HydrophobicContact SD-CG2 3.57Å; M118-V168 VanDerWaalsContact SD-CG2 3.57Å
119	I	39	Very low	40.1	Very low	3 Å²	3	47.5 Å²	47.5	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-41.1	172.3	-67.4	171.1	0	0	0	109.3	W67 F109 A115 T116 S122 K123 L256	W67-I119 HydrophobicContact CH2-CD1 3.9Å; W67-I119 HydrophobicContact CH2-CG1 3.8Å; W67-I119 HydrophobicContact CZ2-CG1 4.3Å; W67-I119 HydrophobicContact CZ3-CD1 4.44Å; F109-I119 HydrophobicContact CB-CD1 3.58Å; F109-I119 HydrophobicContact CD2-CD1 4.44Å; F109-I119 HydrophobicContact CG-CD1 3.99Å; A115-I119 VanDerWaalsContact O-CB 3.3Å; A115-I119 WeakPolarHBondContact O-CB 3.37Å; A115-I119 VanDerWaalsContact O-CG1 3.27Å; A115-I119 WeakPolarHBondContact O-CG1 3.22Å; A115-I119 PolarHBondContact O-N 3.49Å; T116-I119 PolarHBondContact O-N 2.85Å; I119-S122 PolarHBondContact O-OG 3.14Å; I119-K123 HydrophobicContact CG2-CD 3.62Å; I119-K123 HydrophobicContact CG2-CG 4.36Å; I119-K123 WeakPolarHBondContact O-CB 3.39Å; I119-K123 VanDerWaalsContact O-CG 3.23Å; I119-K123 WeakPolarHBondContact O-CG 3.19Å; I119-K123 PolarHBondContact O-N 2.89Å; I119-L256 HydrophobicContact CG2-CD2 4.08Å
120	M	37.4	Very low	40.2	Very low	72 Å²	72	47.8 Å²	47.8	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-47.6	177.8	-67.6	-70.4	-58.6	0	0	111	T116 M118 A124 F255	T116-M120 HydrophobicContact CG2-CG 3.76Å; T116-M120 WeakPolarHBondContact O-CA 3.35Å; T116-M120 WeakPolarHBondContact O-CB 3.45Å; T116-M120 WeakPolarHBondContact O-CG 3.06Å; T116-M120 PolarHBondContact O-N 3.01Å; M118-M120 VanDerWaalsContact C-N 3.34Å; M120-A124 WeakPolarHBondContact O-CA 3.41Å; M120-A124 WeakPolarHBondContact O-CB 3.29Å; M120-A124 PolarHBondContact O-N 3.07Å; M120-F255 HydrophobicContact CB-CE1 4.35Å; M120-F255 HydrophobicContact CE-CD1 4.05Å; M120-F255 HydrophobicContact CE-CE1 3.52Å; M120-F255 HydrophobicContact CE-CE2 4.13Å; M120-F255 HydrophobicContact CE-CZ 3.53Å; M120-F255 HydrophobicContact CG-CE1 4.19Å; M120-F255 HydrophobicContact SD-CD1 3.48Å; M120-F255 WeakPolarHBondContact SD-CD1 3.27Å; M120-F255 HydrophobicContact SD-CE1 3.04Å; M120-F255 WeakPolarHBondContact SD-CE1 3.3Å; M120-F255 HydrophobicContact SD-CG 4.49Å; M120-F255 HydrophobicContact SD-CZ 3.73Å
121	A	40.3	Very low	40.6	Very low	33 Å²	33	44.7 Å²	44.7	27%	0.273	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-46.6	-179.4	0	0	0	0	0	112.9	D117 A124 S125	D117-A121 VanDerWaalsContact O-CB 3.22Å; D117-A121 WeakPolarHBondContact O-CB 3.31Å; D117-A121 PolarHBondContact O-N 2.77Å; A121-A124 PolarHBondContact O-N 2.85Å; A121-S125 PolarHBondContact O-N 3.16Å; A121-S125 PolarHBondContact O-OG 2.94Å
122	S	40.5	Very low	41	Very low	16 Å²	16	38.3 Å²	38.3	11%	0.112	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-41.7	178.5	54	0	0	0	0	112.7	M118 I119 W126 H161	M118-S122 WeakPolarHBondContact O-CB 3.44Å; M118-S122 PolarHBondContact O-N 2.93Å; M118-S122 VanDerWaalsContact O-N 3.16Å; M118-S122 PolarHBondContact O-OG 3.28Å; I119-S122 PolarHBondContact O-OG 3.14Å; S122-W126 PolarHBondContact O-N 2.93Å; S122-H161 WeakPolarHBondContact CB-CE1 3.37Å; S122-H161 VanDerWaalsContact CB-ND1 3.25Å; S122-H161 WeakPolarHBondContact CB-ND1 3.36Å
123	K	39.4	Very low	41.5	Very low	46 Å²	46	37.1 Å²	37.1	20%	0.2	20%	0.2	C	C	.	.	H	α-helix	trans	-76.6	-30.6	176.7	-65.9	-179.4	-177.9	168.3	0	112.3	I119 S125 W126 W127 F255 L256	I119-K123 HydrophobicContact CG2-CD 3.62Å; I119-K123 HydrophobicContact CG2-CG 4.36Å; I119-K123 WeakPolarHBondContact O-CB 3.39Å; I119-K123 VanDerWaalsContact O-CG 3.23Å; I119-K123 WeakPolarHBondContact O-CG 3.19Å; I119-K123 PolarHBondContact O-N 2.89Å; K123-S125 VanDerWaalsContact C-N 3.35Å; K123-W126 PolarHBondContact O-N 3.18Å; K123-W127 WeakPolarHBondContact O-CB 3.25Å; K123-W127 PolarHBondContact O-N 3.17Å; K123-F255 HydrophobicContact CB-CE1 4.11Å; K123-F255 HydrophobicContact CB-CZ 4.23Å; K123-L256 PolarHBondContact NZ-O 2.82Å
124	A	39.8	Very low	41.9	Very low	37 Å²	37	33 Å²	33	31%	0.306	17%	0.172	S	C	.	.	H	α-helix	trans	-64	-39	172	0	0	0	0	0	111.3	M120 A121 W127 Y128 F255	M120-A124 WeakPolarHBondContact O-CA 3.41Å; M120-A124 WeakPolarHBondContact O-CB 3.29Å; M120-A124 PolarHBondContact O-N 3.07Å; A121-A124 PolarHBondContact O-N 2.85Å; A124-W127 CarbonylContact O-C 3.58Å; A124-W127 WeakPolarHBondContact O-CB 3.33Å; A124-W127 PolarHBondContact O-N 3.49Å; A124-Y128 WeakPolarHBondContact O-CB 3.49Å; A124-Y128 PolarHBondContact O-N 3.47Å; A124-F255 HydrophobicContact CB-CZ 4.47Å
125	S	42.7	Very low	42.4	Very low	7 Å²	7	36.4 Å²	36.4	5%	0.049	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-50.9	171.6	-70.1	0	0	0	0	111.8	A121 K123 W127 Y128 F129 V156	A121-S125 PolarHBondContact O-N 3.16Å; A121-S125 PolarHBondContact O-OG 2.94Å; K123-S125 VanDerWaalsContact C-N 3.35Å; S125-W127 VanDerWaalsContact C-N 3.27Å; S125-W127 PolarHBondContact O-N 3.26Å; S125-Y128 WeakPolarHBondContact O-CB 3.46Å; S125-Y128 PolarHBondContact O-N 3.13Å; S125-F129 WeakPolarHBondContact O-CD2 3.32Å; S125-F129 PolarHBondContact O-N 3Å; S125-V156 PolarHBondContact OG-O 3.24Å; S125-V156 VanDerWaalsContact OG-O 3.13Å
126	W	37.9	Very low	42.6	Very low	169 Å²	169	40.2 Å²	40.2	64%	0.64	20%	0.202	S	C	*	.	H	α-helix	trans	-62.2	-37	177.1	-83.1	60.8	0	0	0	112.3	S122 K123 G130	S122-W126 PolarHBondContact O-N 2.93Å; K123-W126 PolarHBondContact O-N 3.18Å; W126-G130 PolarHBondContact O-N 2.87Å
127	W	40.2	Very low	42.4	Very low	55 Å²	55	39.6 Å²	39.6	21%	0.208	20%	0.199	C	C	.	.	H	α-helix	trans	-67.4	-41.1	176.5	-176.5	85.5	0	0	0	111.9	K123 A124 S125 F129 G130 C131	K123-W127 WeakPolarHBondContact O-CB 3.25Å; K123-W127 PolarHBondContact O-N 3.17Å; A124-W127 CarbonylContact O-C 3.58Å; A124-W127 WeakPolarHBondContact O-CB 3.33Å; A124-W127 PolarHBondContact O-N 3.49Å; S125-W127 VanDerWaalsContact C-N 3.27Å; S125-W127 PolarHBondContact O-N 3.26Å; W127-F129 VanDerWaalsContact C-N 3.31Å; W127-F129 PolarHBondContact O-N 2.99Å; W127-G130 PolarHBondContact O-N 3.44Å; W127-C131 VanDerWaalsContact CD2-SG 3.5Å; W127-C131 PolarHBondContact NE1-SG 2.87Å; W127-C131 VanDerWaalsContact NE1-SG 3.42Å; W127-C131 WeakPolarHBondContact O-CB 3.46Å; W127-C131 PolarHBondContact O-N 3.28Å; W127-C131 PolarHBondContact O-SG 2.98Å
128	Y	44.4	Very low	42.2	Very low	40 Å²	40	39.4 Å²	39.4	16%	0.157	20%	0.201	C	C	.	.	H	α-helix	trans	-55.2	-44.7	176.2	-172.8	-89	0	0	0	111.6	A124 S125 N134 Y200 P205	A124-Y128 WeakPolarHBondContact O-CB 3.49Å; A124-Y128 PolarHBondContact O-N 3.47Å; S125-Y128 WeakPolarHBondContact O-CB 3.46Å; S125-Y128 PolarHBondContact O-N 3.13Å; Y128-N134 WeakPolarHBondContact O-CB 3.43Å; Y128-Y200 HydrophobicContact CE1-CD1 4.39Å; Y128-Y200 WeakPolarHBondContact OH-CD1 3.09Å; Y128-P205 HydrophobicContact CE2-CB 4.13Å
129	F	44.6	Very low	41.9	Very low	47 Å²	47	43.4 Å²	43.4	21%	0.206	22%	0.222	C	C	.	.	H	α-helix	trans	-84.3	-26.5	178	-62.8	-71.4	0	0	0	114.8	S125 W127 R135 I152 P153 V156	S125-F129 WeakPolarHBondContact O-CD2 3.32Å; S125-F129 PolarHBondContact O-N 3Å; W127-F129 VanDerWaalsContact C-N 3.31Å; W127-F129 PolarHBondContact O-N 2.99Å; F129-R135 PolarHBondContact O-NE 3.02Å; F129-I152 HydrophobicContact CD1-CG2 4.42Å; F129-I152 HydrophobicContact CE1-CB 4.44Å; F129-I152 HydrophobicContact CE1-CG2 3.4Å; F129-I152 VanDerWaalsContact CE1-CG2 3.4Å; F129-I152 HydrophobicContact CZ-CG2 3.51Å; F129-P153 HydrophobicContact CD2-CB 4.4Å; F129-P153 HydrophobicContact CG-CB 4.45Å; F129-P153 HydrophobicContact CG-CG 4.35Å; F129-V156 HydrophobicContact CE2-CB 3.45Å; F129-V156 VanDerWaalsContact CE2-CB 3.45Å; F129-V156 HydrophobicContact CE2-CG1 3.48Å; F129-V156 VanDerWaalsContact CE2-CG1 3.48Å; F129-V156 HydrophobicContact CE2-CG2 3.91Å; F129-V156 HydrophobicContact CZ-CB 3.8Å; F129-V156 HydrophobicContact CZ-CG1 4Å; F129-V156 HydrophobicContact CZ-CG2 3.68Å
130	G	43.9	Very low	41.8	Very low	23 Å²	23	48.5 Å²	48.5	24%	0.237	25%	0.248	C	C	.	.	H	α-helix	trans	-77.3	-26	179	0	0	0	0	0	113.5	W126 W127 A132	W126-G130 PolarHBondContact O-N 2.87Å; W127-G130 PolarHBondContact O-N 3.44Å; G130-A132 PolarHBondContact O-N 3.26Å
131	C	48.9	Very low	42	Very low	4 Å²	4	45.9 Å²	45.9	3%	0.027	24%	0.237	C	C	.	.			trans	-69.7	117.4	179.6	-77	0	0	0	0	110.9	W127 L133 N134 R135 Y249	W127-C131 VanDerWaalsContact CD2-SG 3.5Å; W127-C131 PolarHBondContact NE1-SG 2.87Å; W127-C131 VanDerWaalsContact NE1-SG 3.42Å; W127-C131 WeakPolarHBondContact O-CB 3.46Å; W127-C131 PolarHBondContact O-N 3.28Å; W127-C131 PolarHBondContact O-SG 2.98Å; C131-L133 PolarHBondContact O-N 3.06Å; C131-N134 HydrophobicContact CB-CB 3.83Å; C131-N134 PolarHBondContact O-N 2.91Å; C131-R135 PolarHBondContact O-N 3.04Å; C131-Y249 HydrophobicContact CB-CD2 4.48Å; C131-Y249 HydrophobicContact CB-CE2 4.14Å
132	A	49.4	Very low	41.7	Very low	2 Å²	2	47.4 Å²	47.4	2%	0.017	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-46.8	173.3	0	0	0	0	0	110.5	G130 N134 R135 I210 S263 L266 Q267	G130-A132 PolarHBondContact O-N 3.26Å; A132-N134 VanDerWaalsContact C-N 3.32Å; A132-N134 PolarHBondContact O-N 3.05Å; A132-R135 PolarHBondContact O-N 2.62Å; A132-I210 WeakPolarHBondContact O-CD1 3.44Å; A132-S263 VanDerWaalsContact CB-OG 3.32Å; A132-S263 WeakPolarHBondContact CB-OG 3.33Å; A132-L266 HydrophobicContact CB-CD2 4.36Å; A132-L266 HydrophobicContact CB-CG 4.41Å; A132-Q267 HydrophobicContact CB-CB 4.02Å
133	L	50.5	Low	41.6	Very low	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.3	176	-74.5	171.3	0	0	0	113.5	C131 S208 I210 I211 L239 F242 Y249 L266	C131-L133 PolarHBondContact O-N 3.06Å; L133-S208 WeakPolarHBondContact O-CB 3.28Å; L133-S208 PolarHBondContact O-OG 3.25Å; L133-I210 HydrophobicContact CD2-CB 4Å; L133-I210 HydrophobicContact CD2-CD1 4.47Å; L133-I210 HydrophobicContact CD2-CG2 3.83Å; L133-I211 HydrophobicContact CD2-CG1 4.43Å; L133-L239 HydrophobicContact CD1-CD2 4.38Å; L133-L239 HydrophobicContact CD2-CD2 4.49Å; L133-F242 HydrophobicContact CD1-CD1 3.9Å; L133-F242 HydrophobicContact CD1-CD2 4.06Å; L133-F242 HydrophobicContact CD1-CE1 4.03Å; L133-F242 HydrophobicContact CD1-CE2 4.18Å; L133-F242 HydrophobicContact CD1-CG 3.91Å; L133-F242 HydrophobicContact CD1-CZ 4.17Å; L133-Y249 HydrophobicContact CB-CE2 4.41Å; L133-Y249 HydrophobicContact CD1-CE2 4.38Å; L133-Y249 VanDerWaalsContact CD1-OH 3.24Å; L133-Y249 WeakPolarHBondContact CD1-OH 3.38Å; L133-Y249 WeakPolarHBondContact CG-OH 3.33Å; L133-L266 HydrophobicContact CD1-CD2 4.2Å; L133-L266 HydrophobicContact CD2-CD2 3.95Å; L133-L266 HydrophobicContact CG-CD2 3.69Å
134	N	48.8	Very low	41.5	Very low	15 Å²	15	50.4 Å²	50.4	8%	0.08	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.3	-177.4	-66.9	-24.4	0	0	0	114.3	Y128 C131 A132 D136 P205	Y128-N134 WeakPolarHBondContact O-CB 3.43Å; C131-N134 HydrophobicContact CB-CB 3.83Å; C131-N134 PolarHBondContact O-N 2.91Å; A132-N134 VanDerWaalsContact C-N 3.32Å; A132-N134 PolarHBondContact O-N 3.05Å; N134-D136 VanDerWaalsContact C-N 3.27Å; N134-D136 PolarHBondContact O-N 3.03Å; N134-P205 VanDerWaalsContact OD1-CG 3.23Å; N134-P205 WeakPolarHBondContact OD1-CG 3.1Å
135	R	47	Very low	41.6	Very low	90 Å²	90	53.6 Å²	53.6	34%	0.34	27%	0.273	S	S	.	.			trans	-74.8	85.7	172.1	-75.6	-174.4	178.1	178.9	5.6	109.6	F129 C131 A132 S137	F129-R135 PolarHBondContact O-NE 3.02Å; C131-R135 PolarHBondContact O-N 3.04Å; A132-R135 PolarHBondContact O-N 2.62Å; R135-S137 VanDerWaalsContact C-N 3.25Å; R135-S137 PolarHBondContact O-N 3.14Å
136	D	43.2	Very low	41.5	Very low	81 Å²	81	58 Å²	58	43%	0.433	30%	0.296	S	S	.	.			trans	-57.1	107.4	140.2	-72.9	-23.3	0	0	0	105.5	N134 H209	N134-D136 VanDerWaalsContact C-N 3.27Å; N134-D136 PolarHBondContact O-N 3.03Å; D136-H209 WeakPolarHBondContact OD1-CB 3.49Å; D136-H209 PolarHBondContact OD1-N 3.22Å
137	S	35.9	Very low	41.4	Very low	21 Å²	21	53 Å²	53	15%	0.147	30%	0.297	C	S	.	.			trans	-42.2	137.5	-176.1	-177.2	0	0	0	0	109.9	R135 L139 I140	R135-S137 VanDerWaalsContact C-N 3.25Å; R135-S137 PolarHBondContact O-N 3.14Å; S137-L139 PolarHBondContact O-N 3.24Å; S137-L139 PolarHBondContact OG-N 3Å; S137-I140 PolarHBondContact O-N 3.45Å
138	P	34.3	Very low	41.3	Very low	59 Å²	59	52.9 Å²	52.9	38%	0.383	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-10.2	173.4	19.3	-29.9	0	0	0	113.1	R144	P138-R144 WeakPolarHBondContact O-CD 3.41Å; P138-R144 WeakPolarHBondContact O-CG 3.32Å; P138-R144 PolarHBondContact O-NE 3.48Å
139	L	32.8	Very low	40.9	Very low	91 Å²	91	54.6 Å²	54.6	48%	0.476	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.4	171.6	-74.1	157.4	0	0	0	115	S137 R144	S137-L139 PolarHBondContact O-N 3.24Å; S137-L139 PolarHBondContact OG-N 3Å; L139-R144 VanDerWaalsContact CD2-NH1 3.32Å
140	I	35.8	Very low	40.7	Very low	109 Å²	109	56.5 Å²	56.5	56%	0.559	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	3.4	-179.6	-45.7	177	0	0	0	111.6	S137 P142	S137-I140 PolarHBondContact O-N 3.45Å; I140-P142 WeakPolarHBondContact O-CD 3.44Å
141	S	41.1	Very low	40.4	Very low	18 Å²	18	59 Å²	59	13%	0.126	34%	0.336	C	S	.	.			trans	-58.2	126.3	174.3	-178.5	0	0	0	0	109.9	L143 R144	S141-L143 PolarHBondContact O-N 3.29Å; S141-L143 VanDerWaalsContact OG-CB 3.32Å; S141-L143 WeakPolarHBondContact OG-CB 3.39Å; S141-L143 WeakPolarHBondContact OG-CG 3.29Å; S141-L143 PolarHBondContact OG-N 3.17Å; S141-R144 PolarHBondContact O-N 2.8Å
142	P	35.2	Very low	40	Very low	65 Å²	65	59.4 Å²	59.4	42%	0.422	34%	0.338	S	S	.	.	H	α-helix	trans	-51	-26.5	169.3	-25.9	34	0	0	0	112.2	I140 R144 S145 L146 Y200	I140-P142 WeakPolarHBondContact O-CD 3.44Å; P142-R144 PolarHBondContact O-N 3.22Å; P142-S145 WeakPolarHBondContact CA-OG 3.46Å; P142-S145 PolarHBondContact O-N 3.31Å; P142-S145 PolarHBondContact O-OG 2.97Å; P142-L146 WeakPolarHBondContact O-CG 3.48Å; P142-L146 PolarHBondContact O-N 3.37Å; P142-L146 VanDerWaalsContact O-N 3.14Å; P142-Y200 WeakPolarHBondContact CD-OH 3.47Å; P142-Y200 WeakPolarHBondContact CG-OH 3.32Å
143	L	37.3	Very low	39.7	Very low	18 Å²	18	62.6 Å²	62.6	9%	0.094	36%	0.358	C	S	.	.	H	α-helix	trans	-67.2	-34.1	178.3	-55	173	0	0	0	112.7	S141 L146 G147 I148 I152 L197	S141-L143 PolarHBondContact O-N 3.29Å; S141-L143 VanDerWaalsContact OG-CB 3.32Å; S141-L143 WeakPolarHBondContact OG-CB 3.39Å; S141-L143 WeakPolarHBondContact OG-CG 3.29Å; S141-L143 PolarHBondContact OG-N 3.17Å; L143-L146 HydrophobicContact CD2-CD1 4.36Å; L143-L146 CarbonylContact O-C 3.54Å; L143-L146 WeakPolarHBondContact O-CB 3.04Å; L143-L146 PolarHBondContact O-N 3.24Å; L143-G147 PolarHBondContact O-N 3.45Å; L143-I148 HydrophobicContact CB-CB 4.48Å; L143-I148 HydrophobicContact CB-CD1 4.25Å; L143-I148 HydrophobicContact CD2-CD1 3.96Å; L143-I148 WeakPolarHBondContact O-CB 3.36Å; L143-I148 PolarHBondContact O-N 2.92Å; L143-I148 VanDerWaalsContact O-N 3.13Å; L143-I152 HydrophobicContact CB-CD1 4.15Å; L143-I152 HydrophobicContact CD1-CD1 4.1Å; L143-I152 HydrophobicContact CD1-CG1 4.19Å; L143-I152 HydrophobicContact CD1-CG2 4.1Å; L143-L197 HydrophobicContact CD1-CD2 4.19Å; L143-L197 HydrophobicContact CD2-CD2 4.01Å
144	R	38.7	Very low	39.3	Very low	106 Å²	106	68.3 Å²	68.3	40%	0.4	39%	0.385	S	S	.	.	H	α-helix	trans	-67.8	-37.8	172.3	-102.2	-156.2	-169.7	-171.6	-3.2	111.9	P138 L139 S141 P142 L146 G147 N150	P138-R144 WeakPolarHBondContact O-CD 3.41Å; P138-R144 WeakPolarHBondContact O-CG 3.32Å; P138-R144 PolarHBondContact O-NE 3.48Å; L139-R144 VanDerWaalsContact CD2-NH1 3.32Å; S141-R144 PolarHBondContact O-N 2.8Å; P142-R144 PolarHBondContact O-N 3.22Å; R144-L146 PolarHBondContact O-N 3.4Å; R144-G147 PolarHBondContact O-N 3.06Å; R144-N150 PolarHBondContact NE-OD1 3.39Å; R144-N150 PolarHBondContact NH2-ND2 3.13Å; R144-N150 PolarHBondContact NH2-OD1 3.38Å
145	S	41.3	Very low	38.7	Very low	104 Å²	104	70.8 Å²	70.8	73%	0.727	40%	0.397	S	S	*	.	H	α-helix	trans	-65.8	-20.6	173.5	53.7	0	0	0	0	112.8	P142 G147	P142-S145 WeakPolarHBondContact CA-OG 3.46Å; P142-S145 PolarHBondContact O-N 3.31Å; P142-S145 PolarHBondContact O-OG 2.97Å; S145-G147 VanDerWaalsContact C-N 3.31Å
146	L	40.1	Very low	38.4	Very low	101 Å²	101	67.2 Å²	67.2	53%	0.529	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2.5	171.2	-64	169.3	0	0	0	113.3	P142 L143 R144 I148	P142-L146 WeakPolarHBondContact O-CG 3.48Å; P142-L146 PolarHBondContact O-N 3.37Å; P142-L146 VanDerWaalsContact O-N 3.14Å; L143-L146 HydrophobicContact CD2-CD1 4.36Å; L143-L146 CarbonylContact O-C 3.54Å; L143-L146 WeakPolarHBondContact O-CB 3.04Å; L143-L146 PolarHBondContact O-N 3.24Å; R144-L146 PolarHBondContact O-N 3.4Å; L146-I148 VanDerWaalsContact C-N 3.27Å; L146-I148 HydrophobicContact CB-CD1 4.17Å; L146-I148 HydrophobicContact CB-CG1 4.3Å; L146-I148 PolarHBondContact O-N 3.31Å
147	G	35.2	Very low	38.4	Very low	64 Å²	64	63.7 Å²	63.7	66%	0.66	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	12.9	178.9	0	0	0	0	0	114.6	L143 R144 S145	L143-G147 PolarHBondContact O-N 3.45Å; R144-G147 PolarHBondContact O-N 3.06Å; S145-G147 VanDerWaalsContact C-N 3.31Å
148	I	39.4	Very low	38.6	Very low	52 Å²	52	66.5 Å²	66.5	27%	0.267	38%	0.384	S	S	.	.			trans	-76.1	123.8	177.1	-59.3	166	0	0	0	107.7	L143 L146 I155	L143-I148 HydrophobicContact CB-CB 4.48Å; L143-I148 HydrophobicContact CB-CD1 4.25Å; L143-I148 HydrophobicContact CD2-CD1 3.96Å; L143-I148 WeakPolarHBondContact O-CB 3.36Å; L143-I148 PolarHBondContact O-N 2.92Å; L143-I148 VanDerWaalsContact O-N 3.13Å; L146-I148 VanDerWaalsContact C-N 3.27Å; L146-I148 HydrophobicContact CB-CD1 4.17Å; L146-I148 HydrophobicContact CB-CG1 4.3Å; L146-I148 PolarHBondContact O-N 3.31Å; I148-I155 HydrophobicContact CG2-CD1 3.65Å
149	P	36.5	Very low	38.7	Very low	76 Å²	76	64.5 Å²	64.5	49%	0.494	37%	0.37	S	S	.	.			trans	-58.6	163.9	-179.7	20	-29.9	0	0	0	112.2	D151	P149-D151 WeakPolarHBondContact CG-OD2 3.37Å; P149-D151 PolarHBondContact O-N 2.98Å
150	N	39.6	Very low	39.1	Very low	86 Å²	86	60.2 Å²	60.2	46%	0.46	35%	0.348	S	S	.	.	S	Bend	trans	-60.3	12.6	-177	-103	13.1	0	0	0	115	R144 I152 P153	R144-N150 PolarHBondContact NE-OD1 3.39Å; R144-N150 PolarHBondContact NH2-ND2 3.13Å; R144-N150 PolarHBondContact NH2-OD1 3.38Å; N150-I152 PolarHBondContact O-N 3.41Å; N150-I152 VanDerWaalsContact O-N 3.09Å; N150-P153 WeakPolarHBondContact O-CD 3.33Å
151	D	37.8	Very low	39.5	Very low	76 Å²	76	57.6 Å²	57.6	41%	0.406	33%	0.334	S	S	.	.			trans	-77.4	15.7	178.8	-49.9	-27.6	0	0	0	111.4	P149 P153 E154 I155	P149-D151 WeakPolarHBondContact CG-OD2 3.37Å; P149-D151 PolarHBondContact O-N 2.98Å; D151-P153 VanDerWaalsContact C-CD 3.5Å; D151-E154 HydrophobicContact CB-CB 4.39Å; D151-E154 CarbonylContact O-C 3.47Å; D151-E154 WeakPolarHBondContact O-CA 2.99Å; D151-E154 VanDerWaalsContact O-CB 3.3Å; D151-E154 WeakPolarHBondContact O-CB 3.11Å; D151-E154 PolarHBondContact O-N 3.38Å; D151-I155 HydrophobicContact CB-CD1 4.33Å; D151-I155 HydrophobicContact CB-CG1 4.43Å; D151-I155 WeakPolarHBondContact O-CG1 2.93Å; D151-I155 PolarHBondContact O-N 3.25Å
152	I	41.2	Very low	39.4	Very low	13 Å²	13	59.5 Å²	59.5	7%	0.067	34%	0.338	C	S	.	.	H	α-helix	trans	-52.4	-45.1	-179.5	-57.7	173.3	0	0	0	112.1	F129 L143 N150 E154 I155 V156	F129-I152 HydrophobicContact CD1-CG2 4.42Å; F129-I152 HydrophobicContact CE1-CB 4.44Å; F129-I152 HydrophobicContact CE1-CG2 3.4Å; F129-I152 VanDerWaalsContact CE1-CG2 3.4Å; F129-I152 HydrophobicContact CZ-CG2 3.51Å; L143-I152 HydrophobicContact CB-CD1 4.15Å; L143-I152 HydrophobicContact CD1-CD1 4.1Å; L143-I152 HydrophobicContact CD1-CG1 4.19Å; L143-I152 HydrophobicContact CD1-CG2 4.1Å; N150-I152 PolarHBondContact O-N 3.41Å; N150-I152 VanDerWaalsContact O-N 3.09Å; I152-E154 PolarHBondContact O-N 2.94Å; I152-I155 PolarHBondContact O-N 3.04Å; I152-V156 HydrophobicContact CG2-CG2 4.11Å; I152-V156 WeakPolarHBondContact O-CB 3.36Å; I152-V156 WeakPolarHBondContact O-CG2 3.16Å; I152-V156 PolarHBondContact O-N 2.89Å
153	P	42.9	Very low	39.6	Very low	69 Å²	69	58.4 Å²	58.4	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-32.7	175.3	-22.3	34.5	0	0	0	113.1	F129 N150 D151 G157	F129-P153 HydrophobicContact CD2-CB 4.4Å; F129-P153 HydrophobicContact CG-CB 4.45Å; F129-P153 HydrophobicContact CG-CG 4.35Å; N150-P153 WeakPolarHBondContact O-CD 3.33Å; D151-P153 VanDerWaalsContact C-CD 3.5Å; P153-G157 WeakPolarHBondContact O-CA 3.23Å; P153-G157 PolarHBondContact O-N 3.11Å
154	E	41.3	Very low	39.8	Very low	120 Å²	120	57.8 Å²	57.8	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-75.2	-49.4	178.7	-167.8	170.6	-173	0	0	110.7	D151 I152 V156 G157 V158	D151-E154 HydrophobicContact CB-CB 4.39Å; D151-E154 CarbonylContact O-C 3.47Å; D151-E154 WeakPolarHBondContact O-CA 2.99Å; D151-E154 VanDerWaalsContact O-CB 3.3Å; D151-E154 WeakPolarHBondContact O-CB 3.11Å; D151-E154 PolarHBondContact O-N 3.38Å; I152-E154 PolarHBondContact O-N 2.94Å; E154-V156 PolarHBondContact O-N 3.04Å; E154-G157 WeakPolarHBondContact O-CA 3.45Å; E154-G157 PolarHBondContact O-N 2.71Å; E154-V158 WeakPolarHBondContact O-CG2 3.37Å; E154-V158 PolarHBondContact O-N 3.42Å
155	I	36.8	Very low	39.9	Very low	68 Å²	68	53 Å²	53	35%	0.349	31%	0.314	S	S	.	.	H	α-helix	trans	-58.9	-46.4	176.4	-66.1	168.5	0	0	0	110.8	I148 D151 I152 V158 I159	I148-I155 HydrophobicContact CG2-CD1 3.65Å; D151-I155 HydrophobicContact CB-CD1 4.33Å; D151-I155 HydrophobicContact CB-CG1 4.43Å; D151-I155 WeakPolarHBondContact O-CG1 2.93Å; D151-I155 PolarHBondContact O-N 3.25Å; I152-I155 PolarHBondContact O-N 3.04Å; I155-V158 WeakPolarHBondContact O-CB 3.27Å; I155-V158 PolarHBondContact O-N 3.13Å; I155-I159 HydrophobicContact CG2-CD1 3.81Å; I155-I159 HydrophobicContact CG2-CG1 4.47Å; I155-I159 VanDerWaalsContact O-CG1 3.27Å; I155-I159 WeakPolarHBondContact O-CG1 3.47Å; I155-I159 PolarHBondContact O-N 2.97Å
156	V	40.9	Very low	39.8	Very low	14 Å²	14	55.6 Å²	55.6	9%	0.085	31%	0.308	C	S	.	.	H	α-helix	trans	-76	-26.8	179.3	178.7	0	0	0	0	112.1	S125 F129 I152 E154 G160 F201	S125-V156 PolarHBondContact OG-O 3.24Å; S125-V156 VanDerWaalsContact OG-O 3.13Å; F129-V156 HydrophobicContact CE2-CB 3.45Å; F129-V156 VanDerWaalsContact CE2-CB 3.45Å; F129-V156 HydrophobicContact CE2-CG1 3.48Å; F129-V156 VanDerWaalsContact CE2-CG1 3.48Å; F129-V156 HydrophobicContact CE2-CG2 3.91Å; F129-V156 HydrophobicContact CZ-CB 3.8Å; F129-V156 HydrophobicContact CZ-CG1 4Å; F129-V156 HydrophobicContact CZ-CG2 3.68Å; I152-V156 HydrophobicContact CG2-CG2 4.11Å; I152-V156 WeakPolarHBondContact O-CB 3.36Å; I152-V156 WeakPolarHBondContact O-CG2 3.16Å; I152-V156 PolarHBondContact O-N 2.89Å; E154-V156 PolarHBondContact O-N 3.04Å; V156-G160 PolarHBondContact O-N 2.68Å; V156-F201 HydrophobicContact CG1-CE1 3.88Å; V156-F201 HydrophobicContact CG1-CZ 3.75Å
157	G	42.8	Very low	39.9	Very low	7 Å²	7	55.8 Å²	55.8	7%	0.072	31%	0.305	C	S	.	.	H	α-helix	trans	-58.1	-48.6	165	0	0	0	0	0	111.4	P153 E154 G160 H161	P153-G157 WeakPolarHBondContact O-CA 3.23Å; P153-G157 PolarHBondContact O-N 3.11Å; E154-G157 WeakPolarHBondContact O-CA 3.45Å; E154-G157 PolarHBondContact O-N 2.71Å; G157-G160 PolarHBondContact O-N 2.83Å; G157-H161 WeakPolarHBondContact O-CB 3.41Å; G157-H161 VanDerWaalsContact O-CG 3.25Å; G157-H161 PolarHBondContact O-N 3.34Å; G157-H161 PolarHBondContact O-ND1 3.38Å
158	V	38.9	Very low	40.1	Very low	80 Å²	80	53 Å²	53	49%	0.485	28%	0.275	S	S	.	.	H	α-helix	trans	-62.8	-47.3	175.7	173.4	0	0	0	0	111.4	E154 I155 G160 H161 W162	E154-V158 WeakPolarHBondContact O-CG2 3.37Å; E154-V158 PolarHBondContact O-N 3.42Å; I155-V158 WeakPolarHBondContact O-CB 3.27Å; I155-V158 PolarHBondContact O-N 3.13Å; V158-G160 PolarHBondContact O-N 3.49Å; V158-H161 CarbonylContact O-C 3.6Å; V158-H161 WeakPolarHBondContact O-CB 3.44Å; V158-H161 PolarHBondContact O-N 3.38Å; V158-W162 WeakPolarHBondContact O-CB 3.36Å; V158-W162 PolarHBondContact O-N 3.38Å
159	I	37.4	Very low	40.1	Very low	17 Å²	17	51.4 Å²	51.4	9%	0.087	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-41.1	179.5	-65.2	166.6	0	0	0	111.4	I155 H161 W162 A163 L197 F201	I155-I159 HydrophobicContact CG2-CD1 3.81Å; I155-I159 HydrophobicContact CG2-CG1 4.47Å; I155-I159 VanDerWaalsContact O-CG1 3.27Å; I155-I159 WeakPolarHBondContact O-CG1 3.47Å; I155-I159 PolarHBondContact O-N 2.97Å; I159-H161 VanDerWaalsContact C-N 3.35Å; I159-W162 PolarHBondContact O-N 3.17Å; I159-W162 VanDerWaalsContact O-N 3.14Å; I159-A163 PolarHBondContact O-N 2.83Å; I159-L197 HydrophobicContact CD1-CD1 3.69Å; I159-F201 HydrophobicContact CB-CZ 3.96Å; I159-F201 HydrophobicContact CG2-CE1 4.32Å; I159-F201 HydrophobicContact CG2-CE2 3.64Å; I159-F201 HydrophobicContact CG2-CZ 3.39Å
160	G	42.2	Very low	40.3	Very low	2 Å²	2	50.8 Å²	50.8	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-38.9	175	0	0	0	0	0	112.3	V156 G157 V158 W162 S164	V156-G160 PolarHBondContact O-N 2.68Å; G157-G160 PolarHBondContact O-N 2.83Å; V158-G160 PolarHBondContact O-N 3.49Å; G160-W162 VanDerWaalsContact C-N 3.33Å; G160-S164 WeakPolarHBondContact O-CB 3.11Å; G160-S164 PolarHBondContact O-N 3.19Å; G160-S164 PolarHBondContact O-OG 2.95Å
161	H	42.9	Very low	40.1	Very low	54 Å²	54	51.7 Å²	51.7	25%	0.25	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-37.9	170.6	-74.2	28	0	0	0	111.6	S122 G157 V158 I159 S164 T165	S122-H161 WeakPolarHBondContact CB-CE1 3.37Å; S122-H161 VanDerWaalsContact CB-ND1 3.25Å; S122-H161 WeakPolarHBondContact CB-ND1 3.36Å; G157-H161 WeakPolarHBondContact O-CB 3.41Å; G157-H161 VanDerWaalsContact O-CG 3.25Å; G157-H161 PolarHBondContact O-N 3.34Å; G157-H161 PolarHBondContact O-ND1 3.38Å; V158-H161 CarbonylContact O-C 3.6Å; V158-H161 WeakPolarHBondContact O-CB 3.44Å; V158-H161 PolarHBondContact O-N 3.38Å; I159-H161 VanDerWaalsContact C-N 3.35Å; H161-S164 PolarHBondContact O-OG 3.09Å; H161-T165 WeakPolarHBondContact O-CB 3.17Å; H161-T165 PolarHBondContact O-N 3.31Å; H161-T165 PolarHBondContact O-OG1 3.27Å
162	W	39.3	Very low	40.2	Very low	57 Å²	57	50.4 Å²	50.4	22%	0.216	27%	0.269	C	S	.	.	H	α-helix	trans	-73.6	-51	-177.3	-177.5	83.5	0	0	0	113.9	V158 I159 G160 S164 T165 R166 I193	V158-W162 WeakPolarHBondContact O-CB 3.36Å; V158-W162 PolarHBondContact O-N 3.38Å; I159-W162 PolarHBondContact O-N 3.17Å; I159-W162 VanDerWaalsContact O-N 3.14Å; G160-W162 VanDerWaalsContact C-N 3.33Å; W162-S164 PolarHBondContact O-N 2.77Å; W162-T165 PolarHBondContact O-N 3.3Å; W162-T165 VanDerWaalsContact O-N 3.13Å; W162-R166 PolarHBondContact O-N 2.9Å; W162-I193 HydrophobicContact CZ3-CD1 4.35Å; W162-I193 HydrophobicContact CZ3-CG1 4.3Å
163	A	38.4	Very low	39.9	Very low	43 Å²	43	52.9 Å²	52.9	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-57.6	-37.8	-179.8	0	0	0	0	0	111	I159 K167	I159-A163 PolarHBondContact O-N 2.83Å; A163-K167 PolarHBondContact O-N 2.72Å
164	S	42.4	Very low	39.6	Very low	5 Å²	5	50.6 Å²	50.6	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-76.5	-39.6	176.9	62.1	0	0	0	0	114	M118 G160 H161 W162 R166 K167 V168	M118-S164 VanDerWaalsContact CA-CB 3.41Å; M118-S164 WeakPolarHBondContact CG-OG 3.49Å; G160-S164 WeakPolarHBondContact O-CB 3.11Å; G160-S164 PolarHBondContact O-N 3.19Å; G160-S164 PolarHBondContact O-OG 2.95Å; H161-S164 PolarHBondContact O-OG 3.09Å; W162-S164 PolarHBondContact O-N 2.77Å; S164-R166 PolarHBondContact O-N 3.05Å; S164-K167 PolarHBondContact O-N 3.38Å; S164-V168 WeakPolarHBondContact O-CG2 3.49Å; S164-V168 PolarHBondContact O-N 3.34Å
165	T	41.7	Very low	39.4	Very low	4 Å²	4	53.2 Å²	53.2	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-45.8	172.8	-65	0	0	0	0	111.5	Y62 A66 H161 W162 K167 V168 L169	Y62-T165 WeakPolarHBondContact O-CG2 3.39Å; A66-T165 HydrophobicContact CB-CG2 3.88Å; H161-T165 WeakPolarHBondContact O-CB 3.17Å; H161-T165 PolarHBondContact O-N 3.31Å; H161-T165 PolarHBondContact O-OG1 3.27Å; W162-T165 PolarHBondContact O-N 3.3Å; W162-T165 VanDerWaalsContact O-N 3.13Å; T165-K167 VanDerWaalsContact C-N 3.3Å; T165-K167 PolarHBondContact O-N 3.28Å; T165-V168 PolarHBondContact O-N 3.43Å; T165-L169 HydrophobicContact CG2-CD1 3.63Å; T165-L169 HydrophobicContact CG2-CG 4.11Å; T165-L169 WeakPolarHBondContact O-CB 3.3Å; T165-L169 VanDerWaalsContact O-CG 3.24Å; T165-L169 WeakPolarHBondContact O-CG 3.33Å; T165-L169 PolarHBondContact O-N 2.96Å
166	R	38.9	Very low	39.4	Very low	160 Å²	160	53.3 Å²	53.3	60%	0.604	31%	0.309	S	S	*	.	H	α-helix	trans	-60	-40.9	177	-170.3	179.5	-176.4	-175.5	4.5	111.7	W162 S164 S170	W162-R166 PolarHBondContact O-N 2.9Å; S164-R166 PolarHBondContact O-N 3.05Å; R166-S170 VanDerWaalsContact O-CB 3.27Å; R166-S170 WeakPolarHBondContact O-CB 3.37Å; R166-S170 PolarHBondContact O-N 2.94Å
167	K	41.1	Very low	39.3	Very low	105 Å²	105	55.7 Å²	55.7	46%	0.457	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-44.2	176.6	-162.5	176.7	-174.2	-170.5	0	111.3	D117 A163 S164 T165 S170 L171	D117-K167 HydrophobicContact CB-CD 4.47Å; D117-K167 VanDerWaalsContact OD2-CE 3.31Å; D117-K167 WeakPolarHBondContact OD2-CE 3.47Å; D117-K167 IonicContact OD2-NZ 3.89Å; D117-K167 PolarHBondContact OD2-NZ 3.27Å; A163-K167 PolarHBondContact O-N 2.72Å; S164-K167 PolarHBondContact O-N 3.38Å; T165-K167 VanDerWaalsContact C-N 3.3Å; T165-K167 PolarHBondContact O-N 3.28Å; K167-S170 PolarHBondContact O-N 3.33Å; K167-L171 HydrophobicContact CG-CD1 3.98Å; K167-L171 HydrophobicContact CG-CG 4.4Å; K167-L171 VanDerWaalsContact O-CB 3.3Å; K167-L171 WeakPolarHBondContact O-CB 3.48Å; K167-L171 WeakPolarHBondContact O-CG 3.33Å; K167-L171 PolarHBondContact O-N 2.93Å
168	V	39.8	Very low	38.9	Very low	4 Å²	4	57.7 Å²	57.7	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-45.9	176	169.3	0	0	0	0	111.7	A66 L70 A114 M118 S164 T165 L171 A172	A66-V168 HydrophobicContact CB-CB 4.36Å; A66-V168 HydrophobicContact CB-CG1 4.08Å; L70-V168 HydrophobicContact CD2-CG1 4.36Å; L70-V168 HydrophobicContact CG-CG1 4.28Å; A114-V168 HydrophobicContact CB-CG2 4.2Å; A114-V168 WeakPolarHBondContact O-CG2 3.24Å; M118-V168 HydrophobicContact CB-CG2 3.86Å; M118-V168 HydrophobicContact CG-CG2 4Å; M118-V168 HydrophobicContact SD-CB 4.18Å; M118-V168 HydrophobicContact SD-CG1 4.44Å; M118-V168 HydrophobicContact SD-CG2 3.57Å; M118-V168 VanDerWaalsContact SD-CG2 3.57Å; S164-V168 WeakPolarHBondContact O-CG2 3.49Å; S164-V168 PolarHBondContact O-N 3.34Å; T165-V168 PolarHBondContact O-N 3.43Å; V168-L171 PolarHBondContact O-N 3.21Å; V168-A172 VanDerWaalsContact O-CB 3.25Å; V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 2.8Å
169	L	40	Very low	38.9	Very low	19 Å²	19	59.9 Å²	59.9	10%	0.099	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-43.5	176.3	-69.4	170.1	0	0	0	111.6	I69 T165 A172 G173 V174 I178	I69-L169 HydrophobicContact CD1-CD2 3.31Å; T165-L169 HydrophobicContact CG2-CD1 3.63Å; T165-L169 HydrophobicContact CG2-CG 4.11Å; T165-L169 WeakPolarHBondContact O-CB 3.3Å; T165-L169 VanDerWaalsContact O-CG 3.24Å; T165-L169 WeakPolarHBondContact O-CG 3.33Å; T165-L169 PolarHBondContact O-N 2.96Å; L169-A172 PolarHBondContact O-N 2.78Å; L169-G173 PolarHBondContact O-N 3.21Å; L169-V174 HydrophobicContact CD2-CB 4.25Å; L169-V174 HydrophobicContact CD2-CG1 4.1Å; L169-V174 WeakPolarHBondContact O-CA 3.24Å; L169-V174 WeakPolarHBondContact O-CB 3.33Å; L169-V174 PolarHBondContact O-N 2.93Å; L169-I178 HydrophobicContact CD1-CD1 3.69Å; L169-I178 HydrophobicContact CD2-CD1 4.03Å
170	S	40	Very low	38.6	Very low	63 Å²	63	64.5 Å²	64.5	44%	0.441	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-43.2	176	-172.2	0	0	0	0	112.3	R166 K167 A172 G173	R166-S170 VanDerWaalsContact O-CB 3.27Å; R166-S170 WeakPolarHBondContact O-CB 3.37Å; R166-S170 PolarHBondContact O-N 2.94Å; K167-S170 PolarHBondContact O-N 3.33Å; S170-A172 VanDerWaalsContact C-N 3.32Å; S170-G173 PolarHBondContact O-N 3.44Å; S170-G173 VanDerWaalsContact O-N 3.15Å
171	L	36.5	Very low	38.3	Very low	106 Å²	106	67.9 Å²	67.9	56%	0.555	38%	0.378	S	S	*	.	H	α-helix	trans	-67.8	-32.7	178.2	-73.8	171.8	0	0	0	111.9	A114 K167 V168 G173	A114-L171 HydrophobicContact CB-CB 4.36Å; A114-L171 HydrophobicContact CB-CD1 3.51Å; K167-L171 HydrophobicContact CG-CD1 3.98Å; K167-L171 HydrophobicContact CG-CG 4.4Å; K167-L171 VanDerWaalsContact O-CB 3.3Å; K167-L171 WeakPolarHBondContact O-CB 3.48Å; K167-L171 WeakPolarHBondContact O-CG 3.33Å; K167-L171 PolarHBondContact O-N 2.93Å; V168-L171 PolarHBondContact O-N 3.21Å; L171-G173 PolarHBondContact O-N 2.87Å
172	A	38.4	Very low	37.9	Very low	49 Å²	49	70.1 Å²	70.1	41%	0.405	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-0.6	173.5	0	0	0	0	0	113.7	I69 V168 L169 S170 V174	I69-A172 HydrophobicContact CG2-CB 3.65Å; V168-A172 VanDerWaalsContact O-CB 3.25Å; V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 2.8Å; L169-A172 PolarHBondContact O-N 2.78Å; S170-A172 VanDerWaalsContact C-N 3.32Å; A172-V174 HydrophobicContact CB-CG2 3.89Å; A172-V174 PolarHBondContact O-N 3.02Å
173	G	36.1	Very low	37.5	Very low	64 Å²	64	69.6 Å²	69.6	66%	0.66	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	18	-176	0	0	0	0	0	113.4	L169 S170 L171 K175	L169-G173 PolarHBondContact O-N 3.21Å; S170-G173 PolarHBondContact O-N 3.44Å; S170-G173 VanDerWaalsContact O-N 3.15Å; L171-G173 PolarHBondContact O-N 2.87Å; G173-K175 VanDerWaalsContact C-N 3.26Å; G173-K175 PolarHBondContact O-N 3.5Å
174	V	36.6	Very low	37	Very low	21 Å²	21	71.1 Å²	71.1	13%	0.127	39%	0.394	C	S	.	.			trans	-90	61.3	178.8	-175.5	0	0	0	0	108.7	I42 I69 L169 A172 I177	I42-V174 HydrophobicContact CD1-CG2 4.08Å; I69-V174 HydrophobicContact CD1-CG2 4.26Å; L169-V174 HydrophobicContact CD2-CB 4.25Å; L169-V174 HydrophobicContact CD2-CG1 4.1Å; L169-V174 WeakPolarHBondContact O-CA 3.24Å; L169-V174 WeakPolarHBondContact O-CB 3.33Å; L169-V174 PolarHBondContact O-N 2.93Å; A172-V174 HydrophobicContact CB-CG2 3.89Å; A172-V174 PolarHBondContact O-N 3.02Å; V174-I177 HydrophobicContact CG1-CB 3.71Å; V174-I177 HydrophobicContact CG1-CD1 3.77Å; V174-I177 HydrophobicContact CG1-CG1 3.83Å; V174-I177 HydrophobicContact CG1-CG2 4.45Å
175	K	35.9	Very low	36.6	Very low	176 Å²	176	77.5 Å²	77.5	77%	0.765	43%	0.433	S	S	*	.			trans	-87.2	130.7	166.7	-93.2	-175.7	175.1	-178.4	0	108.9	G173	G173-K175 VanDerWaalsContact C-N 3.26Å; G173-K175 PolarHBondContact O-N 3.5Å
176	G	38.1	Very low	36	Very low	69 Å²	69	84.3 Å²	84.3	71%	0.711	46%	0.464	S	S	*	.	S	Bend	trans	83.7	6.2	172	0	0	0	0	0	116.9
177	I	37.9	Very low	35.3	Very low	64 Å²	64	82.2 Å²	82.2	33%	0.328	47%	0.469	S	S	.	.	S	Bend	trans	-83.5	-23.3	171.4	-60.4	-167.3	0	0	0	111.7	I42 V174	I42-I177 HydrophobicContact CD1-CD1 4.25Å; V174-I177 HydrophobicContact CG1-CB 3.71Å; V174-I177 HydrophobicContact CG1-CD1 3.77Å; V174-I177 HydrophobicContact CG1-CG1 3.83Å; V174-I177 HydrophobicContact CG1-CG2 4.45Å
178	I	35.2	Very low	34.6	Very low	50 Å²	50	80.4 Å²	80.4	26%	0.256	47%	0.468	S	S	.	.	S	Bend	trans	-122.6	113.1	179.9	-64.1	159	0	0	0	106	Y62 L169 D182 V183	Y62-I178 HydrophobicContact CD1-CD1 3.77Å; Y62-I178 HydrophobicContact CD1-CG2 4.21Å; Y62-I178 HydrophobicContact CE1-CB 4.14Å; Y62-I178 HydrophobicContact CE1-CD1 3.54Å; Y62-I178 HydrophobicContact CE1-CG1 3.8Å; Y62-I178 HydrophobicContact CE1-CG2 3.26Å; Y62-I178 WeakPolarHBondContact OH-CG2 3.4Å; L169-I178 HydrophobicContact CD1-CD1 3.69Å; L169-I178 HydrophobicContact CD2-CD1 4.03Å; I178-D182 HydrophobicContact CG2-CB 4.45Å; I178-V183 HydrophobicContact CG2-CG2 3.97Å
179	E	37.2	Very low	34	Very low	126 Å²	126	87 Å²	87	59%	0.589	50%	0.499	S	S	*	.			trans	-84.7	151.3	170.3	-63.1	-172.1	172.1	0	0	109.4	S181 D182	E179-S181 PolarHBondContact O-N 3.42Å; E179-S181 VanDerWaalsContact O-N 3.09Å; E179-D182 PolarHBondContact N-OD2 2.93Å; E179-D182 VanDerWaalsContact O-CB 3.32Å; E179-D182 WeakPolarHBondContact O-CB 3.17Å; E179-D182 PolarHBondContact O-N 3.25Å
180	E	33	Very low	33.3	Very low	113 Å²	113	91.9 Å²	91.9	53%	0.528	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-55.4	-30.1	179.7	-81.6	-179	159.8	0	0	112.8	D182 V183 P188	E180-D182 VanDerWaalsContact C-N 3.33Å; E180-D182 PolarHBondContact O-N 3.44Å; E180-V183 WeakPolarHBondContact O-CB 3.48Å; E180-V183 PolarHBondContact O-N 3.21Å; E180-P188 HydrophobicContact CB-CB 4.14Å
181	S	34.5	Very low	32.8	Very low	74 Å²	74	92.2 Å²	92.2	52%	0.517	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-71.7	-19	174.9	48.1	0	0	0	0	114.7	E179 V183	E179-S181 PolarHBondContact O-N 3.42Å; E179-S181 VanDerWaalsContact O-N 3.09Å; S181-V183 PolarHBondContact O-N 3.29Å
182	D	34.3	Very low	32.4	Very low	100 Å²	100	94.9 Å²	94.9	54%	0.535	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-73.7	-15.8	172.3	-64.3	-38.9	0	0	0	111.5	Y62 I178 E179 E180	Y62-D182 VanDerWaalsContact OH-C 3.23Å; Y62-D182 PolarHBondContact OH-O 2.78Å; I178-D182 HydrophobicContact CG2-CB 4.45Å; E179-D182 PolarHBondContact N-OD2 2.93Å; E179-D182 VanDerWaalsContact O-CB 3.32Å; E179-D182 WeakPolarHBondContact O-CB 3.17Å; E179-D182 PolarHBondContact O-N 3.25Å; E180-D182 VanDerWaalsContact C-N 3.33Å; E180-D182 PolarHBondContact O-N 3.44Å
183	V	32.4	Very low	32.1	Very low	46 Å²	46	94.8 Å²	94.8	28%	0.279	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-37.2	-174.4	-172.8	0	0	0	0	111.7	Y62 I178 E180 S181	Y62-V183 HydrophobicContact CD2-CG1 3.96Å; Y62-V183 HydrophobicContact CD2-CG2 4.33Å; Y62-V183 HydrophobicContact CE1-CG2 4.25Å; Y62-V183 HydrophobicContact CE2-CB 3.77Å; Y62-V183 HydrophobicContact CE2-CG1 3.58Å; Y62-V183 HydrophobicContact CE2-CG2 3.55Å; Y62-V183 VanDerWaalsContact CZ-CG2 3.47Å; Y62-V183 WeakPolarHBondContact OH-CG2 3.4Å; Y62-V183 PolarHBondContact OH-N 3.13Å; I178-V183 HydrophobicContact CG2-CG2 3.97Å; E180-V183 WeakPolarHBondContact O-CB 3.48Å; E180-V183 PolarHBondContact O-N 3.21Å; S181-V183 PolarHBondContact O-N 3.29Å
184	F	26.6	Very low	32	Very low	76 Å²	76	95 Å²	95	33%	0.333	50%	0.497	S	S	.	.			trans	-128.2	118.6	-174.6	-57.7	-78.3	0	0	0	110.5	H186 L191	F184-H186 CarbonylContact C-O 3.56Å; F184-H186 WeakPolarHBondContact CB-O 3.23Å; F184-H186 PolarHBondContact O-N 2.66Å; F184-L191 HydrophobicContact CE1-CD1 4.16Å; F184-L191 HydrophobicContact CE2-CD1 3.95Å; F184-L191 HydrophobicContact CZ-CD1 3.34Å
185	T	34.7	Very low	32	Very low	138 Å²	138	98.4 Å²	98.4	85%	0.847	52%	0.515	S	S	*	.	S	Bend	trans	-65.8	-16.7	170.3	46.7	0	0	0	0	112.7
186	H	28.4	Very low	32.1	Very low	147 Å²	147	95.2 Å²	95.2	68%	0.681	50%	0.503	S	S	*	.	S	Bend	trans	-106.3	133.1	170.8	-61.4	-51.2	0	0	0	107.2	F184	F184-H186 CarbonylContact C-O 3.56Å; F184-H186 WeakPolarHBondContact CB-O 3.23Å; F184-H186 PolarHBondContact O-N 2.66Å
187	T	25.2	Very low	32.1	Very low	116 Å²	116	92.6 Å²	92.6	71%	0.712	47%	0.473	S	S	*	.			trans	-18.4	139.3	-178.7	25.5	0	0	0	0	114.8	Q189	T187-Q189 PolarHBondContact O-N 3.23Å
188	P	25.9	Very low	32.2	Very low	68 Å²	68	95.2 Å²	95.2	44%	0.442	48%	0.478	S	S	.	.			trans	-52.8	92	178.6	26.4	-34	0	0	0	107.8	E180 E190	E180-P188 HydrophobicContact CB-CB 4.14Å; P188-E190 PolarHBondContact O-N 3.29Å
189	Q	26.5	Very low	32.4	Very low	142 Å²	142	96.1 Å²	96.1	66%	0.664	49%	0.487	S	S	*	.			trans	-63	104.2	153.7	-72.2	-179.4	-4.5	0	0	99.2	T187 L191	T187-Q189 PolarHBondContact O-N 3.23Å; Q189-L191 PolarHBondContact O-N 3.01Å
190	E	25.7	Very low	32.5	Very low	121 Å²	121	93.6 Å²	93.6	57%	0.565	47%	0.473	S	S	*	.			trans	-40.6	95	144.5	-70.9	-176.8	164.8	0	0	103.6	P188 R192	P188-E190 PolarHBondContact O-N 3.29Å; E190-R192 HydrophobicContact CB-CG 4.1Å; E190-R192 PolarHBondContact O-N 3.18Å; E190-R192 IonicContact OE2-CZ 3.57Å; E190-R192 IonicContact OE2-NE 2.99Å; E190-R192 PolarHBondContact OE2-NE 3.02Å; E190-R192 IonicContact OE2-NH2 3.23Å; E190-R192 PolarHBondContact OE2-NH2 3.44Å
191	L	29.8	Very low	32.8	Very low	71 Å²	71	92 Å²	92	37%	0.372	46%	0.464	S	S	.	.			trans	-66	70.8	154	-88.2	154.1	0	0	0	102.4	F184 Q189 I193	F184-L191 HydrophobicContact CE1-CD1 4.16Å; F184-L191 HydrophobicContact CE2-CD1 3.95Å; F184-L191 HydrophobicContact CZ-CD1 3.34Å; Q189-L191 PolarHBondContact O-N 3.01Å; L191-I193 PolarHBondContact O-N 2.97Å
192	R	27.1	Very low	32.6	Very low	162 Å²	162	94.8 Å²	94.8	61%	0.611	47%	0.473	S	S	*	.			trans	-42	103.7	132.7	-61.8	-174.8	-174.5	-163.3	-0.6	101.2	E190 I194	E190-R192 HydrophobicContact CB-CG 4.1Å; E190-R192 PolarHBondContact O-N 3.18Å; E190-R192 IonicContact OE2-CZ 3.57Å; E190-R192 IonicContact OE2-NE 2.99Å; E190-R192 PolarHBondContact OE2-NE 3.02Å; E190-R192 IonicContact OE2-NH2 3.23Å; E190-R192 PolarHBondContact OE2-NH2 3.44Å; R192-I194 PolarHBondContact O-N 3.49Å
193	I	32.2	Very low	32.6	Very low	46 Å²	46	93 Å²	93	24%	0.236	47%	0.468	C	S	.	.			trans	-41.7	98.2	135.4	-59.7	174.1	0	0	0	100.7	W162 L191 D195 L197 R198 F201	W162-I193 HydrophobicContact CZ3-CD1 4.35Å; W162-I193 HydrophobicContact CZ3-CG1 4.3Å; L191-I193 PolarHBondContact O-N 2.97Å; I193-D195 PolarHBondContact O-N 3.15Å; I193-D195 VanDerWaalsContact O-N 3.16Å; I193-L197 HydrophobicContact CG2-CB 3.74Å; I193-R198 HydrophobicContact CG2-CB 4.28Å; I193-F201 HydrophobicContact CG2-CD2 4.48Å
194	I	35.2	Very low	32.7	Very low	68 Å²	68	96 Å²	96	35%	0.349	49%	0.489	S	S	.	.			trans	-50.2	136.3	-170.7	-44.6	169.8	0	0	0	102.8	R192 E196 L197 R198	R192-I194 PolarHBondContact O-N 3.49Å; I194-E196 HydrophobicContact CB-CB 4.13Å; I194-E196 HydrophobicContact CG2-CB 4.07Å; I194-E196 HydrophobicContact CG2-CG 3.93Å; I194-E196 WeakPolarHBondContact CG2-OE1 3.37Å; I194-E196 WeakPolarHBondContact CG2-OE2 3.37Å; I194-E196 CarbonylContact O-C 3.46Å; I194-E196 PolarHBondContact O-N 3.27Å; I194-L197 PolarHBondContact O-N 3.34Å; I194-R198 PolarHBondContact O-N 2.86Å
195	D	37.2	Very low	33.4	Very low	94 Å²	94	94.7 Å²	94.7	50%	0.503	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-21.9	-174	-74	-51.2	0	0	0	111.1	I193 R198 P199	I193-D195 PolarHBondContact O-N 3.15Å; I193-D195 VanDerWaalsContact O-N 3.16Å; D195-R198 PolarHBondContact O-N 3.4Å; D195-R198 IonicContact OD1-CZ 3.06Å; D195-R198 IonicContact OD1-NH1 2.74Å; D195-R198 PolarHBondContact OD1-NH1 2.9Å; D195-R198 IonicContact OD1-NH2 2.79Å; D195-R198 PolarHBondContact OD1-NH2 3.34Å; D195-P199 WeakPolarHBondContact O-CD 3.46Å
196	E	37.1	Very low	33.7	Very low	108 Å²	108	96.3 Å²	96.3	51%	0.505	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.6	164.7	-61.4	152.1	-158.9	0	0	116.6	I194 P199 Y200	I194-E196 HydrophobicContact CB-CB 4.13Å; I194-E196 HydrophobicContact CG2-CB 4.07Å; I194-E196 HydrophobicContact CG2-CG 3.93Å; I194-E196 WeakPolarHBondContact CG2-OE1 3.37Å; I194-E196 WeakPolarHBondContact CG2-OE2 3.37Å; I194-E196 CarbonylContact O-C 3.46Å; I194-E196 PolarHBondContact O-N 3.27Å; E196-P199 WeakPolarHBondContact O-CD 3.49Å; E196-Y200 VanDerWaalsContact O-CD2 3.31Å; E196-Y200 WeakPolarHBondContact O-CD2 3.5Å; E196-Y200 VanDerWaalsContact O-CE2 3.29Å; E196-Y200 WeakPolarHBondContact O-CE2 3.47Å
197	L	38.7	Very low	34.7	Very low	14 Å²	14	91.1 Å²	91.1	7%	0.073	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-22.1	178.4	-69.5	-178.7	0	0	0	113.3	L143 I159 I193 I194 Y200 F201	L143-L197 HydrophobicContact CD1-CD2 4.19Å; L143-L197 HydrophobicContact CD2-CD2 4.01Å; I159-L197 HydrophobicContact CD1-CD1 3.69Å; I193-L197 HydrophobicContact CG2-CB 3.74Å; I194-L197 PolarHBondContact O-N 3.34Å; L197-Y200 HydrophobicContact CD2-CD2 4.29Å; L197-Y200 WeakPolarHBondContact O-CB 3.34Å; L197-Y200 PolarHBondContact O-N 3.26Å; L197-F201 HydrophobicContact CB-CE2 4.45Å; L197-F201 WeakPolarHBondContact O-CD2 3.3Å
198	R	39.2	Very low	36.2	Very low	120 Å²	120	85.7 Å²	85.7	45%	0.453	43%	0.431	S	S	.	.	H	α-helix	trans	-57.4	-41.8	-177.8	-175.3	-177.7	-66.5	133.8	11.8	113.2	I193 I194 D195 Y200 F201 L202	I193-R198 HydrophobicContact CG2-CB 4.28Å; I194-R198 PolarHBondContact O-N 2.86Å; D195-R198 PolarHBondContact O-N 3.4Å; D195-R198 IonicContact OD1-CZ 3.06Å; D195-R198 IonicContact OD1-NH1 2.74Å; D195-R198 PolarHBondContact OD1-NH1 2.9Å; D195-R198 IonicContact OD1-NH2 2.79Å; D195-R198 PolarHBondContact OD1-NH2 3.34Å; R198-Y200 VanDerWaalsContact C-N 3.26Å; R198-Y200 PolarHBondContact O-N 3.33Å; R198-F201 PolarHBondContact O-N 3.19Å; R198-L202 HydrophobicContact CG-CD1 3.5Å; R198-L202 HydrophobicContact CG-CG 4.15Å; R198-L202 PolarHBondContact O-N 2.9Å; R198-L202 VanDerWaalsContact O-N 3.14Å
199	P	39.4	Very low	37.8	Very low	68 Å²	68	85.3 Å²	85.3	44%	0.442	42%	0.423	S	S	.	.	H	α-helix	trans	-56.2	-37.3	173.8	-26.4	34.3	0	0	0	113.3	D195 E196 F201 L202 S203	D195-P199 WeakPolarHBondContact O-CD 3.46Å; E196-P199 WeakPolarHBondContact O-CD 3.49Å; P199-F201 VanDerWaalsContact C-N 3.26Å; P199-F201 PolarHBondContact O-N 3.07Å; P199-L202 PolarHBondContact O-N 2.9Å; P199-S203 WeakPolarHBondContact O-CB 3.22Å; P199-S203 PolarHBondContact O-N 3.13Å; P199-S203 PolarHBondContact O-OG 2.96Å
200	Y	39.8	Very low	39.5	Very low	74 Å²	74	78.5 Å²	78.5	29%	0.29	39%	0.392	S	S	.	.	H	α-helix	trans	-65.7	-26.8	-177.9	-68.2	-91.3	0	0	0	113.7	Y128 P142 E196 L197 R198	Y128-Y200 HydrophobicContact CE1-CD1 4.39Å; Y128-Y200 WeakPolarHBondContact OH-CD1 3.09Å; P142-Y200 WeakPolarHBondContact CD-OH 3.47Å; P142-Y200 WeakPolarHBondContact CG-OH 3.32Å; E196-Y200 VanDerWaalsContact O-CD2 3.31Å; E196-Y200 WeakPolarHBondContact O-CD2 3.5Å; E196-Y200 VanDerWaalsContact O-CE2 3.29Å; E196-Y200 WeakPolarHBondContact O-CE2 3.47Å; L197-Y200 HydrophobicContact CD2-CD2 4.29Å; L197-Y200 WeakPolarHBondContact O-CB 3.34Å; L197-Y200 PolarHBondContact O-N 3.26Å; R198-Y200 VanDerWaalsContact C-N 3.26Å; R198-Y200 PolarHBondContact O-N 3.33Å
201	F	37.9	Very low	41.5	Very low	78 Å²	78	73.4 Å²	73.4	34%	0.342	37%	0.368	S	S	.	.	H	α-helix	trans	-98.1	-28.4	179.9	-68.6	-76.5	0	0	0	113.8	V156 I159 I193 L197 R198 P199	V156-F201 HydrophobicContact CG1-CE1 3.88Å; V156-F201 HydrophobicContact CG1-CZ 3.75Å; I159-F201 HydrophobicContact CB-CZ 3.96Å; I159-F201 HydrophobicContact CG2-CE1 4.32Å; I159-F201 HydrophobicContact CG2-CE2 3.64Å; I159-F201 HydrophobicContact CG2-CZ 3.39Å; I193-F201 HydrophobicContact CG2-CD2 4.48Å; L197-F201 HydrophobicContact CB-CE2 4.45Å; L197-F201 WeakPolarHBondContact O-CD2 3.3Å; R198-F201 PolarHBondContact O-N 3.19Å; P199-F201 VanDerWaalsContact C-N 3.26Å; P199-F201 PolarHBondContact O-N 3.07Å
202	L	32.3	Very low	43.5	Very low	133 Å²	133	74.7 Å²	74.7	70%	0.696	37%	0.372	S	S	*	.	H	α-helix	trans	-103.6	-23.8	-172.5	-63.9	-175.5	0	0	0	113.7	R198 P199	R198-L202 HydrophobicContact CG-CD1 3.5Å; R198-L202 HydrophobicContact CG-CG 4.15Å; R198-L202 PolarHBondContact O-N 2.9Å; R198-L202 VanDerWaalsContact O-N 3.14Å; P199-L202 PolarHBondContact O-N 2.9Å
203	S	33.4	Very low	45.6	Very low	62 Å²	62	67.5 Å²	67.5	43%	0.434	35%	0.346	S	S	.	.	S	Bend	trans	-91.6	138	173.3	-56.5	0	0	0	0	108.6	P199	P199-S203 WeakPolarHBondContact O-CB 3.22Å; P199-S203 PolarHBondContact O-N 3.13Å; P199-S203 PolarHBondContact O-OG 2.96Å
204	P	34.8	Very low	47.7	Very low	110 Å²	110	65.3 Å²	65.3	71%	0.714	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-50.3	142.1	155.7	-5.3	16	0	0	0	107.1	E206	P204-E206 PolarHBondContact O-N 2.97Å; P204-E206 VanDerWaalsContact O-N 3.11Å
205	P	40.6	Very low	49.7	Very low	49 Å²	49	65.7 Å²	65.7	32%	0.318	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-48.8	128.3	176.5	17.6	-27.7	0	0	0	108	Y128 N134 T207	Y128-P205 HydrophobicContact CE2-CB 4.13Å; N134-P205 VanDerWaalsContact OD1-CG 3.23Å; N134-P205 WeakPolarHBondContact OD1-CG 3.1Å; P205-T207 PolarHBondContact O-N 2.87Å
206	E	42	Very low	51.6	Low	171 Å²	171	63 Å²	63	80%	0.799	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-50.6	146.3	168.4	-71.4	-173.9	167.3	0	0	107.7	P204 S208	P204-E206 PolarHBondContact O-N 2.97Å; P204-E206 VanDerWaalsContact O-N 3.11Å; E206-S208 WeakPolarHBondContact O-CA 3.33Å; E206-S208 PolarHBondContact O-N 3.45Å
207	T	48.9	Very low	53.4	Low	38 Å²	38	66.1 Å²	66.1	23%	0.233	33%	0.332	C	S	.	.	S	Bend	trans	-41.2	114.7	-178.5	30.1	0	0	0	0	108.8	P205 I211 H212 M341	P205-T207 PolarHBondContact O-N 2.87Å; T207-I211 HydrophobicContact CG2-CD1 4.4Å; T207-I211 HydrophobicContact CG2-CG2 3.9Å; T207-H212 PolarHBondContact O-CD2 2.8Å; T207-H212 PolarHBondContact O-NE2 3.11Å; T207-H212 PolarHBondContact OG1-CE1 3.31Å; T207-H212 PolarHBondContact OG1-NE2 3.48Å; T207-M341 VanDerWaalsContact CG2-O 3.28Å; T207-M341 WeakPolarHBondContact CG2-O 3.4Å
208	S	56.9	Low	55.1	Low	3 Å²	3	68.6 Å²	68.6	2%	0.021	34%	0.343	C	S	.	.			trans	-59.9	157.9	-163.3	66.5	0	0	0	0	112.5	L133 E206 I210 I211 H212	L133-S208 WeakPolarHBondContact O-CB 3.28Å; L133-S208 PolarHBondContact O-OG 3.25Å; E206-S208 WeakPolarHBondContact O-CA 3.33Å; E206-S208 PolarHBondContact O-N 3.45Å; S208-I210 CarbonylContact O-C 3.49Å; S208-I210 PolarHBondContact O-N 3.06Å; S208-I210 WeakPolarHBondContact OG-CB 2.88Å; S208-I210 PolarHBondContact OG-N 3.01Å; S208-I211 WeakPolarHBondContact O-CA 2.98Å; S208-I211 PolarHBondContact O-N 3.28Å; S208-I211 PolarHBondContact OG-N 3.17Å; S208-H212 PolarHBondContact O-N 3.27Å
209	H	59.4	Low	56.9	Low	59 Å²	59	63.3 Å²	63.3	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-48.8	-30.2	173	-169.4	62.2	0	0	0	112.4	D136 H212 L213	D136-H209 WeakPolarHBondContact OD1-CB 3.49Å; D136-H209 PolarHBondContact OD1-N 3.22Å; H209-H212 PolarHBondContact O-N 3.25Å; H209-L213 VanDerWaalsContact CD2-CD1 3.43Å; H209-L213 WeakPolarHBondContact CD2-CD1 3.31Å; H209-L213 WeakPolarHBondContact NE2-CD1 3.43Å; H209-L213 WeakPolarHBondContact O-CB 3.48Å; H209-L213 WeakPolarHBondContact O-CD1 2.99Å; H209-L213 WeakPolarHBondContact O-CG 3.04Å; H209-L213 PolarHBondContact O-N 2.95Å
210	I	62.3	Low	58.8	Low	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-51.1	173.2	-43.4	-149.4	0	0	0	111.9	A132 L133 S208 H212 L213 L214 F270	A132-I210 WeakPolarHBondContact O-CD1 3.44Å; L133-I210 HydrophobicContact CD2-CB 4Å; L133-I210 HydrophobicContact CD2-CD1 4.47Å; L133-I210 HydrophobicContact CD2-CG2 3.83Å; S208-I210 CarbonylContact O-C 3.49Å; S208-I210 PolarHBondContact O-N 3.06Å; S208-I210 WeakPolarHBondContact OG-CB 2.88Å; S208-I210 PolarHBondContact OG-N 3.01Å; I210-H212 VanDerWaalsContact C-N 3.29Å; I210-H212 PolarHBondContact O-N 3.04Å; I210-L213 PolarHBondContact O-N 2.85Å; I210-L214 HydrophobicContact CG2-CD1 4.03Å; I210-L214 HydrophobicContact CG2-CG 4.4Å; I210-L214 WeakPolarHBondContact O-CB 3.24Å; I210-L214 WeakPolarHBondContact O-CG 3.49Å; I210-L214 PolarHBondContact O-N 3.36Å; I210-F270 HydrophobicContact CB-CD2 4.01Å; I210-F270 HydrophobicContact CB-CE2 4.09Å; I210-F270 HydrophobicContact CD1-CB 3.77Å; I210-F270 HydrophobicContact CD1-CD1 3.74Å; I210-F270 HydrophobicContact CD1-CD2 3.34Å; I210-F270 HydrophobicContact CD1-CE1 4.11Å; I210-F270 HydrophobicContact CD1-CE2 3.76Å; I210-F270 HydrophobicContact CD1-CG 3.3Å; I210-F270 HydrophobicContact CD1-CZ 4.11Å; I210-F270 HydrophobicContact CG1-CD1 4.41Å; I210-F270 HydrophobicContact CG1-CD2 3.46Å; I210-F270 VanDerWaalsContact CG1-CD2 3.46Å; I210-F270 HydrophobicContact CG1-CE1 4.36Å; I210-F270 HydrophobicContact CG1-CE2 3.41Å; I210-F270 VanDerWaalsContact CG1-CE2 3.41Å; I210-F270 HydrophobicContact CG1-CG 3.96Å; I210-F270 HydrophobicContact CG1-CZ 3.87Å; I210-F270 HydrophobicContact CG2-CD2 3.87Å; I210-F270 HydrophobicContact CG2-CE2 4.42Å
211	I	67.4	Low	60.7	Low	13 Å²	13	59.4 Å²	59.4	7%	0.067	31%	0.308	C	S	.	.	H	α-helix	trans	-61	-42	177.8	-67.7	173.7	0	0	0	109.8	L133 T207 S208 L214 R215 V338 M341	L133-I211 HydrophobicContact CD2-CG1 4.43Å; T207-I211 HydrophobicContact CG2-CD1 4.4Å; T207-I211 HydrophobicContact CG2-CG2 3.9Å; S208-I211 WeakPolarHBondContact O-CA 2.98Å; S208-I211 PolarHBondContact O-N 3.28Å; S208-I211 PolarHBondContact OG-N 3.17Å; I211-L214 PolarHBondContact O-N 2.89Å; I211-R215 VanDerWaalsContact O-CG 3.29Å; I211-R215 WeakPolarHBondContact O-CG 3.39Å; I211-R215 PolarHBondContact O-N 3.05Å; I211-V338 HydrophobicContact CG2-CG1 4.01Å; I211-M341 HydrophobicContact CD1-CB 4.14Å; I211-M341 HydrophobicContact CD1-SD 4.31Å
212	H	71	Confident	62.8	Low	99 Å²	99	55.8 Å²	55.8	46%	0.458	29%	0.293	S	S	.	.	H	α-helix	trans	-62.5	-44.2	174.6	-79.5	-61.8	0	0	0	113	T207 S208 H209 I210 R215 S216	T207-H212 PolarHBondContact O-CD2 2.8Å; T207-H212 PolarHBondContact O-NE2 3.11Å; T207-H212 PolarHBondContact OG1-CE1 3.31Å; T207-H212 PolarHBondContact OG1-NE2 3.48Å; S208-H212 PolarHBondContact O-N 3.27Å; H209-H212 PolarHBondContact O-N 3.25Å; I210-H212 VanDerWaalsContact C-N 3.29Å; I210-H212 PolarHBondContact O-N 3.04Å; H212-R215 PolarHBondContact O-N 2.87Å; H212-S216 PolarHBondContact O-N 3.18Å
213	L	72.1	Confident	65.4	Low	11 Å²	11	49.5 Å²	49.5	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-45.6	175.7	-83.5	162.3	0	0	0	111.3	H209 I210 R215 S216 I219 F270 L273 H277	H209-L213 VanDerWaalsContact CD2-CD1 3.43Å; H209-L213 WeakPolarHBondContact CD2-CD1 3.31Å; H209-L213 WeakPolarHBondContact NE2-CD1 3.43Å; H209-L213 WeakPolarHBondContact O-CB 3.48Å; H209-L213 WeakPolarHBondContact O-CD1 2.99Å; H209-L213 WeakPolarHBondContact O-CG 3.04Å; H209-L213 PolarHBondContact O-N 2.95Å; I210-L213 PolarHBondContact O-N 2.85Å; L213-R215 PolarHBondContact O-N 3.33Å; L213-S216 VanDerWaalsContact O-CB 3.22Å; L213-S216 WeakPolarHBondContact O-CB 3.45Å; L213-S216 PolarHBondContact O-N 2.76Å; L213-I219 VanDerWaalsContact O-CB 3.28Å; L213-I219 WeakPolarHBondContact O-CB 3.2Å; L213-I219 VanDerWaalsContact O-CG1 3.3Å; L213-I219 WeakPolarHBondContact O-CG1 3.47Å; L213-F270 HydrophobicContact CD1-CE2 3.7Å; L213-L273 HydrophobicContact CB-CD2 4.11Å; L213-H277 HydrophobicContact CD2-CB 4.31Å
214	L	77	Confident	68	Low	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-27.3	176.8	-72.7	173.5	0	0	0	112.8	I210 I211 S216 M223 L239 F269 M335 V338	I210-L214 HydrophobicContact CG2-CD1 4.03Å; I210-L214 HydrophobicContact CG2-CG 4.4Å; I210-L214 WeakPolarHBondContact O-CB 3.24Å; I210-L214 WeakPolarHBondContact O-CG 3.49Å; I210-L214 PolarHBondContact O-N 3.36Å; I211-L214 PolarHBondContact O-N 2.89Å; L214-S216 VanDerWaalsContact C-N 3.28Å; L214-S216 PolarHBondContact O-N 3.44Å; L214-M223 HydrophobicContact CD2-CE 4.4Å; L214-M223 HydrophobicContact CD2-SD 3.94Å; L214-L239 HydrophobicContact CD1-CD1 4.48Å; L214-F269 HydrophobicContact CD2-CE1 4.01Å; L214-M335 WeakPolarHBondContact O-CE 3.12Å; L214-V338 HydrophobicContact CB-CG1 3.94Å; L214-V338 HydrophobicContact CB-CG2 3.92Å; L214-V338 HydrophobicContact CD1-CG2 3.78Å; L214-V338 HydrophobicContact CG-CG2 4.45Å
215	R	76.3	Confident	70.5	Confident	75 Å²	75	45.6 Å²	45.6	28%	0.283	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.2	173	-73.7	175.7	-176.1	169.3	8.4	113.8	I211 H212 L213 K217 V338 M341	I211-R215 VanDerWaalsContact O-CG 3.29Å; I211-R215 WeakPolarHBondContact O-CG 3.39Å; I211-R215 PolarHBondContact O-N 3.05Å; H212-R215 PolarHBondContact O-N 2.87Å; L213-R215 PolarHBondContact O-N 3.33Å; R215-K217 PolarHBondContact O-N 2.83Å; R215-V338 HydrophobicContact CG-CG1 3.62Å; R215-V338 PolarHBondContact NH2-O 3.32Å; R215-M341 PolarHBondContact NH2-O 3.18Å
216	S	76.6	Confident	72.8	Confident	38 Å²	38	43.2 Å²	43.2	27%	0.266	21%	0.208	S	C	.	.			trans	-66.4	130.4	178.9	173.9	0	0	0	0	110.6	H212 L213 L214 E218 I219 S220	H212-S216 PolarHBondContact O-N 3.18Å; L213-S216 VanDerWaalsContact O-CB 3.22Å; L213-S216 WeakPolarHBondContact O-CB 3.45Å; L213-S216 PolarHBondContact O-N 2.76Å; L214-S216 VanDerWaalsContact C-N 3.28Å; L214-S216 PolarHBondContact O-N 3.44Å; S216-E218 PolarHBondContact O-N 3.44Å; S216-E218 PolarHBondContact OG-N 3.07Å; S216-I219 PolarHBondContact O-N 2.92Å; S216-I219 VanDerWaalsContact O-N 3.12Å; S216-S220 PolarHBondContact O-N 3.32Å
217	K	76	Confident	75	Confident	174 Å²	174	37.4 Å²	37.4	76%	0.757	19%	0.185	S	C	*	.	H	α-helix	trans	-55.8	-42.8	173	-70.7	-174.4	176.9	-176.3	0	111.3	R215 I219 S220 C221	R215-K217 PolarHBondContact O-N 2.83Å; K217-I219 VanDerWaalsContact C-N 3.28Å; K217-I219 PolarHBondContact O-N 3.49Å; K217-S220 PolarHBondContact O-N 3.11Å; K217-S220 PolarHBondContact O-OG 2.99Å; K217-C221 PolarHBondContact O-N 3.5Å; K217-C221 PolarHBondContact O-SG 2.96Å; K217-C221 VanDerWaalsContact O-SG 3.35Å
218	E	74.7	Confident	76.8	Confident	66 Å²	66	38.8 Å²	38.8	31%	0.308	19%	0.191	S	C	.	.	H	α-helix	trans	-58.1	-41.8	178.4	-63.5	-176.3	153.1	0	0	111.5	S216 C221 L222 R310	S216-E218 PolarHBondContact O-N 3.44Å; S216-E218 PolarHBondContact OG-N 3.07Å; E218-C221 PolarHBondContact O-N 2.83Å; E218-L222 WeakPolarHBondContact O-CB 3.33Å; E218-L222 PolarHBondContact O-N 3.3Å; E218-R310 IonicContact OE1-CZ 2.75Å; E218-R310 IonicContact OE1-NE 2.75Å; E218-R310 PolarHBondContact OE1-NE 3.03Å; E218-R310 VanDerWaalsContact OE1-NE 3.16Å; E218-R310 IonicContact OE1-NH2 3.59Å; E218-R310 IonicContact OE2-CZ 3.78Å; E218-R310 IonicContact OE2-NE 3.6Å; E218-R310 IonicContact OE2-NH2 3.44Å; E218-R310 PolarHBondContact OE2-NH2 3.27Å
219	I	77.1	Confident	78.2	Confident	9 Å²	9	44.8 Å²	44.8	5%	0.046	22%	0.216	C	C	.	.	H	α-helix	trans	-71.4	-43.9	-178.9	-62.9	-65.1	0	0	0	110.9	L213 S216 K217 C221 L222 M223 L273	L213-I219 VanDerWaalsContact O-CB 3.28Å; L213-I219 WeakPolarHBondContact O-CB 3.2Å; L213-I219 VanDerWaalsContact O-CG1 3.3Å; L213-I219 WeakPolarHBondContact O-CG1 3.47Å; S216-I219 PolarHBondContact O-N 2.92Å; S216-I219 VanDerWaalsContact O-N 3.12Å; K217-I219 VanDerWaalsContact C-N 3.28Å; K217-I219 PolarHBondContact O-N 3.49Å; I219-C221 VanDerWaalsContact C-N 3.25Å; I219-C221 PolarHBondContact O-N 3.48Å; I219-L222 WeakPolarHBondContact O-CB 3.49Å; I219-L222 PolarHBondContact O-N 2.85Å; I219-L222 VanDerWaalsContact O-N 3.13Å; I219-M223 HydrophobicContact CG2-CG 4.41Å; I219-M223 HydrophobicContact CG2-SD 4.32Å; I219-M223 VanDerWaalsContact O-CG 3.32Å; I219-M223 WeakPolarHBondContact O-CG 3.34Å; I219-M223 PolarHBondContact O-N 2.68Å; I219-L273 HydrophobicContact CD1-CD1 3.71Å; I219-L273 HydrophobicContact CD1-CG 4.2Å; I219-L273 HydrophobicContact CG2-CD1 3.87Å; I219-L273 HydrophobicContact CG2-CD2 4.04Å; I219-L273 HydrophobicContact CG2-CG 4.49Å
220	S	79.1	Confident	79.6	Confident	21 Å²	21	47.6 Å²	47.6	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-39	175.2	72.9	0	0	0	0	112.2	S216 K217	S216-S220 PolarHBondContact O-N 3.32Å; K217-S220 PolarHBondContact O-N 3.11Å; K217-S220 PolarHBondContact O-OG 2.99Å
221	C	79.5	Confident	80.7	Confident	38 Å²	38	48.2 Å²	48.2	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-66.6	-43.8	175	-72.2	0	0	0	0	111.4	K217 E218 I219 M223 K224 Y225 L319	K217-C221 PolarHBondContact O-N 3.5Å; K217-C221 PolarHBondContact O-SG 2.96Å; K217-C221 VanDerWaalsContact O-SG 3.35Å; E218-C221 PolarHBondContact O-N 2.83Å; I219-C221 VanDerWaalsContact C-N 3.25Å; I219-C221 PolarHBondContact O-N 3.48Å; C221-M223 PolarHBondContact O-N 3.14Å; C221-K224 WeakPolarHBondContact O-CB 2.96Å; C221-K224 PolarHBondContact O-N 3.4Å; C221-Y225 WeakPolarHBondContact O-CD2 3.48Å; C221-Y225 VanDerWaalsContact O-CE2 3.31Å; C221-Y225 WeakPolarHBondContact O-CE2 2.63Å; C221-L319 HydrophobicContact CB-CD1 3.72Å
222	L	82	Confident	81.7	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-39	178.6	178.4	87.6	0	0	0	112.9	E218 I219 K224 Y225 W226 L273 L276 F298 F302 F306	E218-L222 WeakPolarHBondContact O-CB 3.33Å; E218-L222 PolarHBondContact O-N 3.3Å; I219-L222 WeakPolarHBondContact O-CB 3.49Å; I219-L222 PolarHBondContact O-N 2.85Å; I219-L222 VanDerWaalsContact O-N 3.13Å; L222-K224 PolarHBondContact O-N 2.63Å; L222-K224 VanDerWaalsContact O-N 3.08Å; L222-Y225 CarbonylContact O-C 3.48Å; L222-Y225 WeakPolarHBondContact O-CA 3.45Å; L222-Y225 PolarHBondContact O-N 3.31Å; L222-W226 HydrophobicContact CD2-CE3 4.13Å; L222-W226 HydrophobicContact CD2-CZ3 3.8Å; L222-W226 PolarHBondContact O-N 3.29Å; L222-L273 HydrophobicContact CD2-CD1 4.19Å; L222-L276 HydrophobicContact CD1-CD2 3.64Å; L222-L276 HydrophobicContact CD2-CD2 3.02Å; L222-L276 HydrophobicContact CD2-CG 4.43Å; L222-L276 HydrophobicContact CG-CD2 3.88Å; L222-F298 HydrophobicContact CD1-CE1 4.16Å; L222-F298 HydrophobicContact CD1-CZ 4.19Å; L222-F298 HydrophobicContact CD2-CZ 4.46Å; L222-F298 HydrophobicContact CG-CZ 4.37Å; L222-F302 HydrophobicContact CD1-CE1 4.1Å; L222-F302 HydrophobicContact CD1-CZ 4.37Å; L222-F306 HydrophobicContact CD1-CE2 4.24Å; L222-F306 HydrophobicContact CD1-CZ 4.48Å
223	M	87.1	Confident	82.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.4	-25.7	-179.4	-70.2	173.7	71.8	0	0	112.8	L214 I219 C221 Y225 W226 I232 F269 V326 I331 I334	L214-M223 HydrophobicContact CD2-CE 4.4Å; L214-M223 HydrophobicContact CD2-SD 3.94Å; I219-M223 HydrophobicContact CG2-CG 4.41Å; I219-M223 HydrophobicContact CG2-SD 4.32Å; I219-M223 VanDerWaalsContact O-CG 3.32Å; I219-M223 WeakPolarHBondContact O-CG 3.34Å; I219-M223 PolarHBondContact O-N 2.68Å; C221-M223 PolarHBondContact O-N 3.14Å; M223-Y225 PolarHBondContact O-N 3.45Å; M223-W226 WeakPolarHBondContact O-CB 3.34Å; M223-W226 PolarHBondContact O-N 3.11Å; M223-I232 HydrophobicContact CE-CD1 4.02Å; M223-I232 HydrophobicContact CE-CG2 3.97Å; M223-I232 HydrophobicContact CG-CD1 4.44Å; M223-F269 HydrophobicContact CE-CZ 4.11Å; M223-F269 HydrophobicContact CG-CZ 4.22Å; M223-F269 HydrophobicContact SD-CZ 4.35Å; M223-V326 VanDerWaalsContact O-CG2 3.3Å; M223-V326 WeakPolarHBondContact O-CG2 3.43Å; M223-I331 HydrophobicContact CB-CD1 3.54Å; M223-I331 HydrophobicContact CB-CG1 4.47Å; M223-I331 HydrophobicContact CE-CD1 4.12Å; M223-I334 HydrophobicContact CE-CD1 3.44Å; M223-I334 VanDerWaalsContact CE-CD1 3.44Å; M223-I334 HydrophobicContact CE-CG2 4.07Å
224	K	88	Confident	83.1	Confident	63 Å²	63	48.1 Å²	48.1	27%	0.274	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.2	173	-61.7	-178.4	177.1	-168.4	0	113.4	C221 L222 P324 T325 V326 N328 I331	C221-K224 WeakPolarHBondContact O-CB 2.96Å; C221-K224 PolarHBondContact O-N 3.4Å; L222-K224 PolarHBondContact O-N 2.63Å; L222-K224 VanDerWaalsContact O-N 3.08Å; K224-P324 CarbonylContact O-C 3.54Å; K224-P324 WeakPolarHBondContact O-CA 3.25Å; K224-T325 PolarHBondContact O-N 3.44Å; K224-T325 PolarHBondContact O-OG1 2.64Å; K224-V326 PolarHBondContact O-N 2.87Å; K224-V326 VanDerWaalsContact O-N 3.1Å; K224-N328 WeakPolarHBondContact CD-OD1 3.4Å; K224-N328 WeakPolarHBondContact CE-OD1 3.34Å; K224-N328 PolarHBondContact NZ-OD1 3.39Å; K224-I331 HydrophobicContact CG-CG1 4.11Å
225	Y	87.2	Confident	83.5	Confident	27 Å²	27	48.1 Å²	48.1	11%	0.106	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	19.1	-177.5	-51.1	-82.9	0	0	0	111.5	C221 L222 M223 F302 L319 Q322 P324 T325	C221-Y225 WeakPolarHBondContact O-CD2 3.48Å; C221-Y225 VanDerWaalsContact O-CE2 3.31Å; C221-Y225 WeakPolarHBondContact O-CE2 2.63Å; L222-Y225 CarbonylContact O-C 3.48Å; L222-Y225 WeakPolarHBondContact O-CA 3.45Å; L222-Y225 PolarHBondContact O-N 3.31Å; M223-Y225 PolarHBondContact O-N 3.45Å; Y225-F302 HydrophobicContact CD1-CE2 4.22Å; Y225-F302 HydrophobicContact CD2-CZ 4.43Å; Y225-F302 AromaticContact CG-CE2 3.91Å; Y225-F302 HydrophobicContact CG-CE2 3.91Å; Y225-F302 HydrophobicContact CG-CZ 4.02Å; Y225-L319 HydrophobicContact CD2-CD2 3.77Å; Y225-L319 HydrophobicContact CE2-CB 3.88Å; Y225-L319 HydrophobicContact CE2-CD1 4.12Å; Y225-L319 HydrophobicContact CE2-CD2 3.67Å; Y225-L319 HydrophobicContact CE2-CG 4.09Å; Y225-L319 HydrophobicContact CG-CD2 4.44Å; Y225-L319 PolarHBondContact OH-O 3.36Å; Y225-Q322 HydrophobicContact CD1-CB 3.7Å; Y225-Q322 HydrophobicContact CE1-CB 3.43Å; Y225-Q322 VanDerWaalsContact CE1-CB 3.43Å; Y225-P324 HydrophobicContact CE1-CB 4.45Å; Y225-P324 HydrophobicContact CE1-CG 4.16Å; Y225-T325 WeakPolarHBondContact CA-OG1 3.28Å
226	W	89.3	Confident	84	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.			trans	-65.9	133.4	-179.2	-159.9	-99	0	0	0	110.9	L222 M223 D228 E231 I232 F269 K272 L273 I296 F298 T325 V326	L222-W226 HydrophobicContact CD2-CE3 4.13Å; L222-W226 HydrophobicContact CD2-CZ3 3.8Å; L222-W226 PolarHBondContact O-N 3.29Å; M223-W226 WeakPolarHBondContact O-CB 3.34Å; M223-W226 PolarHBondContact O-N 3.11Å; W226-D228 VanDerWaalsContact C-N 3.33Å; W226-D228 PolarHBondContact O-N 2.69Å; W226-E231 PolarHBondContact NE1-OE2 3.03Å; W226-I232 HydrophobicContact CB-CD1 3.81Å; W226-I232 HydrophobicContact CB-CG1 3.63Å; W226-I232 HydrophobicContact CD2-CD1 3.95Å; W226-I232 HydrophobicContact CG-CD1 3.54Å; W226-I232 HydrophobicContact CG-CG1 3.75Å; W226-F269 HydrophobicContact CD2-CD2 4.4Å; W226-F269 AromaticContact CD2-CE2 3.83Å; W226-F269 HydrophobicContact CD2-CE2 3.83Å; W226-F269 AromaticContact CE2-CD2 3.69Å; W226-F269 AromaticContact CE2-CE2 3.58Å; W226-F269 AromaticContact CE3-CE2 3.99Å; W226-F269 HydrophobicContact CE3-CE2 3.99Å; W226-F269 HydrophobicContact CH2-CD2 4.04Å; W226-F269 AromaticContact CH2-CE2 3.7Å; W226-F269 HydrophobicContact CH2-CE2 3.7Å; W226-F269 HydrophobicContact CH2-CZ 4.49Å; W226-F269 AromaticContact CZ2-CD2 3.5Å; W226-F269 HydrophobicContact CZ2-CD2 3.5Å; W226-F269 VanDerWaalsContact CZ2-CD2 3.5Å; W226-F269 AromaticContact CZ2-CE2 3.52Å; W226-F269 HydrophobicContact CZ2-CE2 3.52Å; W226-F269 AromaticContact CZ3-CE2 3.92Å; W226-F269 HydrophobicContact CZ3-CE2 3.92Å; W226-F269 AromaticContact NE1-CD2 3.98Å; W226-K272 HydrophobicContact CH2-CB 4.04Å; W226-K272 HydrophobicContact CZ2-CB 3.85Å; W226-K272 HydrophobicContact CZ2-CD 4.12Å; W226-L273 HydrophobicContact CH2-CB 4.36Å; W226-L273 HydrophobicContact CH2-CD1 4.2Å; W226-L273 HydrophobicContact CZ3-CD1 3.89Å; W226-I296 HydrophobicContact CZ2-CG2 4.38Å; W226-F298 HydrophobicContact CD2-CZ 4.19Å; W226-F298 HydrophobicContact CE3-CE2 4.25Å; W226-F298 AromaticContact CE3-CZ 3.65Å; W226-F298 HydrophobicContact CE3-CZ 3.65Å; W226-F298 HydrophobicContact CH2-CE2 4.39Å; W226-F298 HydrophobicContact CZ3-CE2 4.11Å; W226-F298 AromaticContact CZ3-CZ 3.87Å; W226-F298 HydrophobicContact CZ3-CZ 3.87Å; W226-T325 PolarHBondContact N-OG1 3.36Å; W226-T325 VanDerWaalsContact N-OG1 3.17Å; W226-T325 WeakPolarHBondContact O-CB 3.3Å; W226-T325 PolarHBondContact O-OG1 3.46Å; W226-V326 HydrophobicContact CB-CG2 4.21Å
227	P	86.7	Confident	84.4	Confident	48 Å²	48	49.4 Å²	49.4	31%	0.312	24%	0.243	S	C	.	.	S	Bend	trans	-61.6	-39.3	-173.7	-25.2	34.2	0	0	0	113.6	G297 F298	P227-G297 WeakPolarHBondContact CB-O 3.47Å; P227-G297 VanDerWaalsContact CG-C 3.41Å; P227-G297 WeakPolarHBondContact CG-O 3.32Å; P227-F298 HydrophobicContact CG-CB 4.39Å; P227-F298 HydrophobicContact CG-CD1 3.73Å; P227-F298 HydrophobicContact CG-CD2 4.01Å; P227-F298 HydrophobicContact CG-CE1 3.95Å; P227-F298 HydrophobicContact CG-CE2 4.2Å; P227-F298 HydrophobicContact CG-CG 3.76Å; P227-F298 HydrophobicContact CG-CZ 4.18Å
228	D	87.5	Confident	84.5	Confident	67 Å²	67	42.6 Å²	42.6	36%	0.358	21%	0.214	S	C	.	.			trans	-101.1	96.7	178.7	-174.6	-7.9	0	0	0	111.2	W226 E230 E231 I232	W226-D228 VanDerWaalsContact C-N 3.33Å; W226-D228 PolarHBondContact O-N 2.69Å; D228-E230 PolarHBondContact O-N 3.31Å; D228-E230 WeakPolarHBondContact OD1-CA 3.3Å; D228-E230 WeakPolarHBondContact OD1-CB 3.49Å; D228-E230 PolarHBondContact OD1-N 2.96Å; D228-E231 HydrophobicContact CB-CB 3.83Å; D228-E231 WeakPolarHBondContact O-CB 3.3Å; D228-E231 PolarHBondContact O-N 2.9Å; D228-E231 PolarHBondContact OD1-N 3.23Å; D228-E231 VanDerWaalsContact OD1-N 3.11Å; D228-I232 PolarHBondContact O-N 3.46Å
229	K	86.8	Confident	84.7	Confident	129 Å²	129	39.4 Å²	39.4	56%	0.561	20%	0.199	S	C	*	.	H	α-helix	trans	-59.8	-29.4	176.9	69.6	178.4	-177.4	177.8	0	113.4	S233 V326	K229-S233 PolarHBondContact O-N 2.86Å; K229-S233 PolarHBondContact O-OG 2.91Å; K229-S233 VanDerWaalsContact O-OG 3.06Å; K229-V326 HydrophobicContact CB-CG2 4.3Å
230	E	87.2	Confident	84.8	Confident	119 Å²	119	43.3 Å²	43.3	56%	0.556	21%	0.213	S	C	*	.	H	α-helix	trans	-74.6	-39.1	-179.2	-64.2	-173.8	-179	0	0	109.6	D228 I232 S233 H234	D228-E230 PolarHBondContact O-N 3.31Å; D228-E230 WeakPolarHBondContact OD1-CA 3.3Å; D228-E230 WeakPolarHBondContact OD1-CB 3.49Å; D228-E230 PolarHBondContact OD1-N 2.96Å; E230-I232 VanDerWaalsContact C-N 3.31Å; E230-I232 PolarHBondContact O-N 3.47Å; E230-S233 WeakPolarHBondContact O-CB 3.16Å; E230-S233 PolarHBondContact O-N 3.41Å; E230-S233 VanDerWaalsContact O-N 3.09Å; E230-H234 PolarHBondContact O-N 2.75Å; E230-H234 PolarHBondContact O-ND1 3.23Å
231	E	86.9	Confident	84.4	Confident	12 Å²	12	45.5 Å²	45.5	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-54.5	-46.1	175.1	-171	168.7	-132.6	0	0	111.5	W226 D228 S233 H234 V235 S268 F269 K272	W226-E231 PolarHBondContact NE1-OE2 3.03Å; D228-E231 HydrophobicContact CB-CB 3.83Å; D228-E231 WeakPolarHBondContact O-CB 3.3Å; D228-E231 PolarHBondContact O-N 2.9Å; D228-E231 PolarHBondContact OD1-N 3.23Å; D228-E231 VanDerWaalsContact OD1-N 3.11Å; E231-S233 VanDerWaalsContact C-N 3.34Å; E231-S233 PolarHBondContact O-N 2.96Å; E231-H234 WeakPolarHBondContact O-CB 3.42Å; E231-H234 PolarHBondContact O-N 3.39Å; E231-V235 WeakPolarHBondContact O-CG2 3.36Å; E231-V235 PolarHBondContact O-N 3Å; E231-S268 PolarHBondContact OE1-OG 3.24Å; E231-F269 HydrophobicContact CG-CB 4.07Å; E231-F269 HydrophobicContact CG-CD2 4.19Å; E231-F269 PolarHBondContact OE1-N 2.98Å; E231-K272 IonicContact OE1-NZ 3.68Å; E231-K272 PolarHBondContact OE1-NZ 2.91Å; E231-K272 IonicContact OE2-NZ 3.35Å; E231-K272 PolarHBondContact OE2-NZ 3.13Å
232	I	87.7	Confident	83.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-39.3	176.8	-58.6	-54.6	0	0	0	112.4	M223 W226 D228 E230 H234 V235 L236 F269 V326 V330 I331 I334	M223-I232 HydrophobicContact CE-CD1 4.02Å; M223-I232 HydrophobicContact CE-CG2 3.97Å; M223-I232 HydrophobicContact CG-CD1 4.44Å; W226-I232 HydrophobicContact CB-CD1 3.81Å; W226-I232 HydrophobicContact CB-CG1 3.63Å; W226-I232 HydrophobicContact CD2-CD1 3.95Å; W226-I232 HydrophobicContact CG-CD1 3.54Å; W226-I232 HydrophobicContact CG-CG1 3.75Å; D228-I232 PolarHBondContact O-N 3.46Å; E230-I232 VanDerWaalsContact C-N 3.31Å; E230-I232 PolarHBondContact O-N 3.47Å; I232-H234 VanDerWaalsContact C-N 3.29Å; I232-H234 PolarHBondContact O-N 3.44Å; I232-V235 WeakPolarHBondContact O-CB 3.25Å; I232-V235 PolarHBondContact O-N 3.49Å; I232-L236 PolarHBondContact O-N 3.39Å; I232-L236 VanDerWaalsContact O-N 3.14Å; I232-F269 HydrophobicContact CD1-CD2 3.87Å; I232-F269 HydrophobicContact CD1-CE2 3.24Å; I232-F269 HydrophobicContact CD1-CZ 3.91Å; I232-V326 HydrophobicContact CB-CG1 4.26Å; I232-V326 HydrophobicContact CB-CG2 4.42Å; I232-V326 HydrophobicContact CG1-CG2 4.04Å; I232-V326 HydrophobicContact CG2-CG1 3.93Å; I232-V330 HydrophobicContact CG2-CG1 4Å; I232-I331 HydrophobicContact CG2-CD1 3.73Å; I232-I334 HydrophobicContact CG2-CD1 3.57Å
233	S	87.4	Confident	83.1	Confident	57 Å²	57	48.7 Å²	48.7	40%	0.399	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-36.1	176.7	-58	0	0	0	0	111.7	K229 E230 E231 L236 H237	K229-S233 PolarHBondContact O-N 2.86Å; K229-S233 PolarHBondContact O-OG 2.91Å; K229-S233 VanDerWaalsContact O-OG 3.06Å; E230-S233 WeakPolarHBondContact O-CB 3.16Å; E230-S233 PolarHBondContact O-N 3.41Å; E230-S233 VanDerWaalsContact O-N 3.09Å; E231-S233 VanDerWaalsContact C-N 3.34Å; E231-S233 PolarHBondContact O-N 2.96Å; S233-L236 PolarHBondContact O-N 3.24Å; S233-H237 PolarHBondContact O-N 3.46Å; S233-H237 VanDerWaalsContact O-N 3.14Å
234	H	85.8	Confident	82.1	Confident	65 Å²	65	54.9 Å²	54.9	30%	0.301	26%	0.256	S	S	.	.	H	α-helix	trans	-67.7	-39.5	173.9	-72.3	88.7	0	0	0	112	E230 E231 I232 L236 H237 E238 K265	E230-H234 PolarHBondContact O-N 2.75Å; E230-H234 PolarHBondContact O-ND1 3.23Å; E231-H234 WeakPolarHBondContact O-CB 3.42Å; E231-H234 PolarHBondContact O-N 3.39Å; I232-H234 VanDerWaalsContact C-N 3.29Å; I232-H234 PolarHBondContact O-N 3.44Å; H234-L236 VanDerWaalsContact C-N 3.31Å; H234-L236 PolarHBondContact O-N 2.84Å; H234-H237 WeakPolarHBondContact O-CB 3.16Å; H234-H237 PolarHBondContact O-N 2.87Å; H234-H237 VanDerWaalsContact O-N 3.15Å; H234-E238 PolarHBondContact O-N 3.12Å; H234-K265 HydrophobicContact CB-CB 4.4Å; H234-K265 HydrophobicContact CB-CD 3.95Å; H234-K265 VanDerWaalsContact CD2-CD 3.49Å; H234-K265 WeakPolarHBondContact CD2-CD 3.39Å; H234-K265 PolarHBondContact CD2-NZ 3.28Å; H234-K265 VanDerWaalsContact CD2-NZ 3.33Å; H234-K265 PolarHBondContact CE1-NZ 2.74Å; H234-K265 PolarHBondContact NE2-NZ 3.14Å
235	V	85	Confident	80.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-46.6	174.1	170.6	0	0	0	0	110.7	E231 I232 H237 E238 L239 L266 F269 I334	E231-V235 WeakPolarHBondContact O-CG2 3.36Å; E231-V235 PolarHBondContact O-N 3Å; I232-V235 WeakPolarHBondContact O-CB 3.25Å; I232-V235 PolarHBondContact O-N 3.49Å; V235-H237 VanDerWaalsContact C-N 3.35Å; V235-H237 PolarHBondContact O-N 3.41Å; V235-E238 PolarHBondContact O-N 3.3Å; V235-L239 HydrophobicContact CG1-CD1 3.88Å; V235-L239 HydrophobicContact CG1-CG 4.38Å; V235-L239 WeakPolarHBondContact O-CB 3.41Å; V235-L239 VanDerWaalsContact O-CG 3.28Å; V235-L239 WeakPolarHBondContact O-CG 3.43Å; V235-L239 PolarHBondContact O-N 2.98Å; V235-L266 HydrophobicContact CB-CD1 4.39Å; V235-L266 HydrophobicContact CG1-CD1 3.91Å; V235-L266 HydrophobicContact CG2-CD1 4.02Å; V235-F269 HydrophobicContact CG1-CD1 4.42Å; V235-F269 HydrophobicContact CG1-CE1 4.44Å; V235-F269 HydrophobicContact CG2-CB 3.79Å; V235-F269 HydrophobicContact CG2-CD1 3.57Å; V235-F269 HydrophobicContact CG2-CD2 4.08Å; V235-F269 HydrophobicContact CG2-CE1 4.18Å; V235-F269 HydrophobicContact CG2-CG 3.51Å; V235-I334 HydrophobicContact CG1-CD1 4.32Å
236	L	86.5	Confident	79.1	Confident	15 Å²	15	57.5 Å²	57.5	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-45	175.7	178	57.2	0	0	0	112.2	I232 S233 H234 L239 R240 V330 E333 I334 E337	I232-L236 PolarHBondContact O-N 3.39Å; I232-L236 VanDerWaalsContact O-N 3.14Å; S233-L236 PolarHBondContact O-N 3.24Å; H234-L236 VanDerWaalsContact C-N 3.31Å; H234-L236 PolarHBondContact O-N 2.84Å; L236-L239 PolarHBondContact O-N 2.91Å; L236-R240 HydrophobicContact CD1-CG 4.21Å; L236-R240 WeakPolarHBondContact O-CG 3.28Å; L236-R240 PolarHBondContact O-N 3.38Å; L236-V330 HydrophobicContact CB-CG1 4.48Å; L236-V330 HydrophobicContact CD2-CG1 4.04Å; L236-E333 HydrophobicContact CD1-CB 3.93Å; L236-E333 HydrophobicContact CD2-CB 3.94Å; L236-I334 HydrophobicContact CB-CD1 4.08Å; L236-I334 HydrophobicContact CB-CG1 3.66Å; L236-I334 HydrophobicContact CD1-CG1 3.84Å; L236-I334 HydrophobicContact CG-CG1 4.23Å; L236-E337 HydrophobicContact CD1-CG 4.06Å
237	H	85.4	Confident	77.4	Confident	125 Å²	125	58.7 Å²	58.7	58%	0.579	30%	0.296	S	S	*	.	H	α-helix	trans	-61.1	-45.6	178.5	-178.5	-82.1	0	0	0	111.7	S233 H234 V235 R240 F241	S233-H237 PolarHBondContact O-N 3.46Å; S233-H237 VanDerWaalsContact O-N 3.14Å; H234-H237 WeakPolarHBondContact O-CB 3.16Å; H234-H237 PolarHBondContact O-N 2.87Å; H234-H237 VanDerWaalsContact O-N 3.15Å; V235-H237 VanDerWaalsContact C-N 3.35Å; V235-H237 PolarHBondContact O-N 3.41Å; H237-R240 PolarHBondContact O-N 2.99Å; H237-F241 WeakPolarHBondContact O-CB 3.3Å; H237-F241 PolarHBondContact O-N 2.78Å
238	E	77.2	Confident	75.4	Confident	30 Å²	30	58.9 Å²	58.9	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-39.8	177.9	-72.6	-166.1	-143.9	0	0	112.5	H234 V235 F241 F242 S263 L266	H234-E238 PolarHBondContact O-N 3.12Å; V235-E238 PolarHBondContact O-N 3.3Å; E238-F241 PolarHBondContact O-N 3.35Å; E238-F242 VanDerWaalsContact O-CB 3.3Å; E238-F242 WeakPolarHBondContact O-CB 3.3Å; E238-F242 PolarHBondContact O-N 2.92Å; E238-S263 WeakPolarHBondContact OE2-CB 3.29Å; E238-L266 PolarHBondContact OE1-N 3.44Å; E238-L266 WeakPolarHBondContact OE2-CB 3.49Å
239	L	78.4	Confident	73.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-42.7	175.8	-71.6	170.5	0	0	0	112.2	L133 L214 V235 L236 F242 R243 I334 E337 V338 M341	L133-L239 HydrophobicContact CD1-CD2 4.38Å; L133-L239 HydrophobicContact CD2-CD2 4.49Å; L214-L239 HydrophobicContact CD1-CD1 4.48Å; V235-L239 HydrophobicContact CG1-CD1 3.88Å; V235-L239 HydrophobicContact CG1-CG 4.38Å; V235-L239 WeakPolarHBondContact O-CB 3.41Å; V235-L239 VanDerWaalsContact O-CG 3.28Å; V235-L239 WeakPolarHBondContact O-CG 3.43Å; V235-L239 PolarHBondContact O-N 2.98Å; L236-L239 PolarHBondContact O-N 2.91Å; L239-F242 PolarHBondContact O-N 3.47Å; L239-R243 PolarHBondContact O-N 3.21Å; L239-I334 HydrophobicContact CD1-CG1 4.48Å; L239-I334 HydrophobicContact CD1-CG2 3.74Å; L239-E337 HydrophobicContact CB-CB 4.24Å; L239-V338 HydrophobicContact CD1-CG2 3.98Å; L239-M341 HydrophobicContact CB-CE 4.04Å; L239-M341 HydrophobicContact CD2-CE 3.75Å; L239-M341 HydrophobicContact CD2-SD 4.06Å; L239-M341 VanDerWaalsContact O-CE 3.3Å; L239-M341 WeakPolarHBondContact O-CE 3.42Å
240	R	80.6	Confident	71.1	Confident	90 Å²	90	51.2 Å²	51.2	34%	0.34	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-46.4	175.4	-75.7	178.4	174.6	171	-0.3	111.3	L236 H237 F242 R243 E244 E333 E337	L236-R240 HydrophobicContact CD1-CG 4.21Å; L236-R240 WeakPolarHBondContact O-CG 3.28Å; L236-R240 PolarHBondContact O-N 3.38Å; H237-R240 PolarHBondContact O-N 2.99Å; R240-F242 VanDerWaalsContact C-N 3.34Å; R240-F242 PolarHBondContact O-N 2.82Å; R240-R243 PolarHBondContact O-N 2.89Å; R240-E244 WeakPolarHBondContact O-CB 3.28Å; R240-E244 WeakPolarHBondContact O-CG 3.33Å; R240-E244 PolarHBondContact O-N 3.46Å; R240-E333 IonicContact CZ-OE2 2.86Å; R240-E333 IonicContact NH2-OE2 2.76Å; R240-E333 PolarHBondContact NH2-OE2 3.1Å; R240-E337 HydrophobicContact CG-CG 4Å
241	F	70.8	Confident	68.8	Low	68 Å²	68	49.9 Å²	49.9	30%	0.298	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-42.8	177.6	-175.4	-107.6	0	0	0	111.9	H237 E238 R243 E244 N245 Y249	H237-F241 WeakPolarHBondContact O-CB 3.3Å; H237-F241 PolarHBondContact O-N 2.78Å; E238-F241 PolarHBondContact O-N 3.35Å; F241-R243 VanDerWaalsContact C-N 3.34Å; F241-R243 PolarHBondContact O-N 3.38Å; F241-E244 PolarHBondContact O-N 3.44Å; F241-N245 WeakPolarHBondContact CD1-ND2 3.21Å; F241-N245 WeakPolarHBondContact CE1-ND2 3.32Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.39Å; F241-N245 WeakPolarHBondContact CZ-ND2 3.34Å; F241-N245 WeakPolarHBondContact O-CB 3.36Å; F241-N245 PolarHBondContact O-N 2.87Å; F241-N245 VanDerWaalsContact O-N 3.11Å; F241-N245 PolarHBondContact O-ND2 3.4Å; F241-Y249 VanDerWaalsContact CE1-O 3.25Å; F241-Y249 WeakPolarHBondContact CE1-O 3.22Å
242	F	66.4	Low	66.7	Low	21 Å²	21	57.4 Å²	57.4	9%	0.092	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-44.8	175.1	-176.9	-102	0	0	0	111.8	L133 E238 L239 R240 N245 G247 Y249 M341	L133-F242 HydrophobicContact CD1-CD1 3.9Å; L133-F242 HydrophobicContact CD1-CD2 4.06Å; L133-F242 HydrophobicContact CD1-CE1 4.03Å; L133-F242 HydrophobicContact CD1-CE2 4.18Å; L133-F242 HydrophobicContact CD1-CG 3.91Å; L133-F242 HydrophobicContact CD1-CZ 4.17Å; E238-F242 VanDerWaalsContact O-CB 3.3Å; E238-F242 WeakPolarHBondContact O-CB 3.3Å; E238-F242 PolarHBondContact O-N 2.92Å; L239-F242 PolarHBondContact O-N 3.47Å; R240-F242 VanDerWaalsContact C-N 3.34Å; R240-F242 PolarHBondContact O-N 2.82Å; F242-N245 PolarHBondContact O-N 3.4Å; F242-G247 VanDerWaalsContact CE2-C 3.43Å; F242-G247 WeakPolarHBondContact CE2-O 3.38Å; F242-G247 WeakPolarHBondContact CZ-O 3.44Å; F242-G247 VanDerWaalsContact O-CA 3.31Å; F242-G247 WeakPolarHBondContact O-CA 3.3Å; F242-G247 PolarHBondContact O-N 3.32Å; F242-Y249 HydrophobicContact CD2-CD1 4.32Å; F242-Y249 AromaticContact CD2-CD2 3.66Å; F242-Y249 HydrophobicContact CD2-CD2 3.66Å; F242-Y249 HydrophobicContact CD2-CE1 4.23Å; F242-Y249 AromaticContact CD2-CE2 3.55Å; F242-Y249 HydrophobicContact CD2-CE2 3.55Å; F242-Y249 HydrophobicContact CD2-CG 4.08Å; F242-Y249 AromaticContact CD2-CZ 3.87Å; F242-Y249 AromaticContact CE2-CD2 3.74Å; F242-Y249 HydrophobicContact CE2-CD2 3.74Å; F242-Y249 AromaticContact CE2-CE2 3.58Å; F242-Y249 HydrophobicContact CE2-CE2 3.58Å; F242-M341 HydrophobicContact CD1-CE 3.85Å; F242-M341 HydrophobicContact CD1-SD 4.18Å; F242-M341 HydrophobicContact CE1-SD 4.46Å
243	R	67.8	Low	64.3	Low	87 Å²	87	63.5 Å²	63.5	33%	0.328	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-46.8	176.4	-174.3	-163	66.9	-165.2	-1.8	112.6	L239 R240 F241 N245 S246 E337 M341	L239-R243 PolarHBondContact O-N 3.21Å; R240-R243 PolarHBondContact O-N 2.89Å; F241-R243 VanDerWaalsContact C-N 3.34Å; F241-R243 PolarHBondContact O-N 3.38Å; R243-N245 PolarHBondContact O-N 3.2Å; R243-S246 WeakPolarHBondContact O-CA 3.36Å; R243-S246 PolarHBondContact O-N 2.96Å; R243-E337 VanDerWaalsContact CD-OE2 3.28Å; R243-E337 WeakPolarHBondContact CD-OE2 3.06Å; R243-E337 IonicContact CZ-OE1 3.4Å; R243-E337 IonicContact CZ-OE2 3.6Å; R243-E337 IonicContact NE-OE2 3.89Å; R243-E337 PolarHBondContact NE-OE2 3.08Å; R243-E337 IonicContact NH1-OE1 3.19Å; R243-E337 PolarHBondContact NH1-OE1 3.2Å; R243-E337 IonicContact NH1-OE2 3.16Å; R243-E337 PolarHBondContact NH1-OE2 3.39Å; R243-M341 HydrophobicContact CB-CE 4.39Å
244	E	65.2	Low	62.1	Low	130 Å²	130	64.5 Å²	64.5	61%	0.607	32%	0.315	S	S	*	.	H	α-helix	trans	-58.2	-33.5	-179.8	-77.3	169.7	-172.3	0	0	112	R240 F241 S246	R240-E244 WeakPolarHBondContact O-CB 3.28Å; R240-E244 WeakPolarHBondContact O-CG 3.33Å; R240-E244 PolarHBondContact O-N 3.46Å; F241-E244 PolarHBondContact O-N 3.44Å; E244-S246 PolarHBondContact O-N 3.4Å
245	N	57.3	Low	59.8	Low	29 Å²	29	63.2 Å²	63.2	16%	0.155	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	21.6	173.5	-70.3	-46.4	0	0	0	113.4	F241 F242 R243 G247 C248	F241-N245 WeakPolarHBondContact CD1-ND2 3.21Å; F241-N245 WeakPolarHBondContact CE1-ND2 3.32Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.39Å; F241-N245 WeakPolarHBondContact CZ-ND2 3.34Å; F241-N245 WeakPolarHBondContact O-CB 3.36Å; F241-N245 PolarHBondContact O-N 2.87Å; F241-N245 VanDerWaalsContact O-N 3.11Å; F241-N245 PolarHBondContact O-ND2 3.4Å; F242-N245 PolarHBondContact O-N 3.4Å; R243-N245 PolarHBondContact O-N 3.2Å; N245-G247 VanDerWaalsContact C-N 3.3Å; N245-G247 PolarHBondContact O-N 2.88Å; N245-C248 HydrophobicContact CB-CB 4.16Å; N245-C248 WeakPolarHBondContact CB-O 3.46Å; N245-C248 WeakPolarHBondContact O-CB 3.04Å; N245-C248 PolarHBondContact O-N 3.27Å
246	S	55.9	Low	57.5	Low	116 Å²	116	64.1 Å²	64.1	81%	0.811	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	34.2	-179.8	-54	0	0	0	0	114.6	R243 E244	R243-S246 WeakPolarHBondContact O-CA 3.36Å; R243-S246 PolarHBondContact O-N 2.96Å; E244-S246 PolarHBondContact O-N 3.4Å
247	G	52.4	Low	55.3	Low	24 Å²	24	66.8 Å²	66.8	25%	0.247	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	15.5	-175.2	0	0	0	0	0	113.8	F242 N245	F242-G247 VanDerWaalsContact CE2-C 3.43Å; F242-G247 WeakPolarHBondContact CE2-O 3.38Å; F242-G247 WeakPolarHBondContact CZ-O 3.44Å; F242-G247 VanDerWaalsContact O-CA 3.31Å; F242-G247 WeakPolarHBondContact O-CA 3.3Å; F242-G247 PolarHBondContact O-N 3.32Å; N245-G247 VanDerWaalsContact C-N 3.3Å; N245-G247 PolarHBondContact O-N 2.88Å
248	C	44.3	Very low	53.1	Low	53 Å²	53	62.3 Å²	62.3	36%	0.358	32%	0.317	S	S	.	.			trans	-104.9	149.1	172.1	-60.7	0	0	0	0	110	N245 H250	N245-C248 HydrophobicContact CB-CB 4.16Å; N245-C248 WeakPolarHBondContact CB-O 3.46Å; N245-C248 WeakPolarHBondContact O-CB 3.04Å; N245-C248 PolarHBondContact O-N 3.27Å; C248-H250 WeakPolarHBondContact CB-O 3.44Å; C248-H250 PolarHBondContact O-N 3.02Å
249	Y	44.2	Very low	51.4	Low	11 Å²	11	68.6 Å²	68.6	4%	0.043	34%	0.344	C	S	.	.	S	Bend	trans	-79	2	168.7	-81.1	-84.5	0	0	0	113	C131 L133 F241 F242 L266	C131-Y249 HydrophobicContact CB-CD2 4.48Å; C131-Y249 HydrophobicContact CB-CE2 4.14Å; L133-Y249 HydrophobicContact CB-CE2 4.41Å; L133-Y249 HydrophobicContact CD1-CE2 4.38Å; L133-Y249 VanDerWaalsContact CD1-OH 3.24Å; L133-Y249 WeakPolarHBondContact CD1-OH 3.38Å; L133-Y249 WeakPolarHBondContact CG-OH 3.33Å; F241-Y249 VanDerWaalsContact CE1-O 3.25Å; F241-Y249 WeakPolarHBondContact CE1-O 3.22Å; F242-Y249 HydrophobicContact CD2-CD1 4.32Å; F242-Y249 AromaticContact CD2-CD2 3.66Å; F242-Y249 HydrophobicContact CD2-CD2 3.66Å; F242-Y249 HydrophobicContact CD2-CE1 4.23Å; F242-Y249 AromaticContact CD2-CE2 3.55Å; F242-Y249 HydrophobicContact CD2-CE2 3.55Å; F242-Y249 HydrophobicContact CD2-CG 4.08Å; F242-Y249 AromaticContact CD2-CZ 3.87Å; F242-Y249 AromaticContact CE2-CD2 3.74Å; F242-Y249 HydrophobicContact CE2-CD2 3.74Å; F242-Y249 AromaticContact CE2-CE2 3.58Å; F242-Y249 HydrophobicContact CE2-CE2 3.58Å; Y249-L266 VanDerWaalsContact OH-CD2 3.3Å; Y249-L266 WeakPolarHBondContact OH-CD2 3.47Å
250	H	39.9	Very low	49.8	Very low	24 Å²	24	71.1 Å²	71.1	11%	0.111	36%	0.36	C	S	.	.	S	Bend	trans	-155.8	148.3	-166.6	-70.5	-67	0	0	0	112.9	C248 K254 P260 H261	C248-H250 WeakPolarHBondContact CB-O 3.44Å; C248-H250 PolarHBondContact O-N 3.02Å; H250-K254 HydrophobicContact CB-CB 3.87Å; H250-P260 WeakPolarHBondContact NE2-CA 3.33Å; H250-H261 WeakPolarHBondContact CE1-CB 3.5Å; H250-H261 PolarHBondContact CE1-N 3.46Å; H250-H261 PolarHBondContact NE2-N 3.34Å
251	E	40.8	Very low	48.2	Very low	90 Å²	90	72.8 Å²	72.8	42%	0.421	37%	0.372	S	S	.	.			trans	-60.9	145.5	159.9	-63.2	159.5	132	0	0	110.3	F253 K254 F255	E251-F253 HydrophobicContact CB-CD1 3.59Å; E251-F253 HydrophobicContact CB-CE1 3.3Å; E251-F253 HydrophobicContact CB-CZ 4.08Å; E251-F253 HydrophobicContact CG-CE1 3.9Å; E251-F253 PolarHBondContact O-N 3Å; E251-F253 WeakPolarHBondContact OE2-CE1 3.33Å; E251-F253 WeakPolarHBondContact OE2-CZ 3.26Å; E251-K254 PolarHBondContact O-N 2.86Å; E251-K254 IonicContact OE2-NZ 3.9Å; E251-K254 PolarHBondContact OE2-NZ 3.09Å; E251-F255 PolarHBondContact O-N 2.83Å
252	E	41.3	Very low	47.2	Very low	171 Å²	171	76.4 Å²	76.4	80%	0.799	39%	0.39	S	S	*	.	H	α-helix	trans	-47.9	-32.6	-175.1	-170.4	-179.4	-177.7	0	0	114.1	F255	E252-F255 WeakPolarHBondContact O-CB 3.42Å
253	F	38.8	Very low	46.9	Very low	127 Å²	127	75.7 Å²	75.7	56%	0.557	39%	0.388	S	S	*	.	H	α-helix	trans	-73.9	-31.7	177.4	69.5	-91.7	0	0	0	113.8	E251 L256	E251-F253 HydrophobicContact CB-CD1 3.59Å; E251-F253 HydrophobicContact CB-CE1 3.3Å; E251-F253 HydrophobicContact CB-CZ 4.08Å; E251-F253 HydrophobicContact CG-CE1 3.9Å; E251-F253 PolarHBondContact O-N 3Å; E251-F253 WeakPolarHBondContact OE2-CE1 3.33Å; E251-F253 WeakPolarHBondContact OE2-CZ 3.26Å; F253-L256 PolarHBondContact O-N 3.21Å
254	K	41.3	Very low	46.3	Very low	78 Å²	78	76.4 Å²	76.4	34%	0.339	40%	0.397	S	S	.	.	H	α-helix	trans	-74.8	-28.3	176.7	-71.8	176.5	-178	139	0	111.4	H250 E251 L256 T257	H250-K254 HydrophobicContact CB-CB 3.87Å; E251-K254 PolarHBondContact O-N 2.86Å; E251-K254 IonicContact OE2-NZ 3.9Å; E251-K254 PolarHBondContact OE2-NZ 3.09Å; K254-L256 PolarHBondContact O-N 3.33Å; K254-T257 WeakPolarHBondContact O-CB 3.35Å; K254-T257 PolarHBondContact O-N 3.32Å; K254-T257 PolarHBondContact O-OG1 3.26Å
255	F	37.4	Very low	46.5	Very low	39 Å²	39	75 Å²	75	17%	0.171	39%	0.389	C	S	.	.	H	α-helix	trans	-52	-37.9	171.3	-179.4	-82.1	0	0	0	111.8	M120 K123 A124 E251 E252 T257 G258	M120-F255 HydrophobicContact CB-CE1 4.35Å; M120-F255 HydrophobicContact CE-CD1 4.05Å; M120-F255 HydrophobicContact CE-CE1 3.52Å; M120-F255 HydrophobicContact CE-CE2 4.13Å; M120-F255 HydrophobicContact CE-CZ 3.53Å; M120-F255 HydrophobicContact CG-CE1 4.19Å; M120-F255 HydrophobicContact SD-CD1 3.48Å; M120-F255 WeakPolarHBondContact SD-CD1 3.27Å; M120-F255 HydrophobicContact SD-CE1 3.04Å; M120-F255 WeakPolarHBondContact SD-CE1 3.3Å; M120-F255 HydrophobicContact SD-CG 4.49Å; M120-F255 HydrophobicContact SD-CZ 3.73Å; K123-F255 HydrophobicContact CB-CE1 4.11Å; K123-F255 HydrophobicContact CB-CZ 4.23Å; A124-F255 HydrophobicContact CB-CZ 4.47Å; E251-F255 PolarHBondContact O-N 2.83Å; E252-F255 WeakPolarHBondContact O-CB 3.42Å; F255-T257 PolarHBondContact O-N 3.11Å; F255-G258 PolarHBondContact O-N 2.93Å
256	L	36.1	Very low	47	Very low	18 Å²	18	73.6 Å²	73.6	9%	0.094	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13	178.7	-59.6	169.7	0	0	0	114.2	L110 I119 K123 F253 K254 G258	L110-L256 HydrophobicContact CD1-CD1 3.31Å; L110-L256 HydrophobicContact CD2-CD1 3.76Å; L110-L256 HydrophobicContact CD2-CD2 3.73Å; L110-L256 HydrophobicContact CD2-CG 4.35Å; L110-L256 HydrophobicContact CG-CD1 3.77Å; L110-L256 HydrophobicContact CG-CD2 4.43Å; I119-L256 HydrophobicContact CG2-CD2 4.08Å; K123-L256 PolarHBondContact NZ-O 2.82Å; F253-L256 PolarHBondContact O-N 3.21Å; K254-L256 PolarHBondContact O-N 3.33Å; L256-G258 PolarHBondContact O-N 3.49Å
257	T	40.4	Very low	47.4	Very low	72 Å²	72	70.4 Å²	70.4	44%	0.442	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.2	174.3	70.6	0	0	0	0	112.3	K254 F255 K259	K254-T257 WeakPolarHBondContact O-CB 3.35Å; K254-T257 PolarHBondContact O-N 3.32Å; K254-T257 PolarHBondContact O-OG1 3.26Å; F255-T257 PolarHBondContact O-N 3.11Å; T257-K259 PolarHBondContact O-N 3.34Å; T257-K259 VanDerWaalsContact O-N 3.13Å; T257-K259 PolarHBondContact OG1-N 2.93Å
258	G	38.8	Very low	48.5	Very low	30 Å²	30	71.1 Å²	71.1	31%	0.309	36%	0.355	S	S	.	.			trans	66.2	5.6	-177.9	0	0	0	0	0	114.4	F255 L256	F255-G258 PolarHBondContact O-N 2.93Å; L256-G258 PolarHBondContact O-N 3.49Å
259	K	40.5	Very low	50.2	Low	163 Å²	163	68.6 Å²	68.6	71%	0.709	34%	0.338	S	S	*	.			trans	-103.8	109.7	176	-67.1	-175.1	179.9	-176.3	0	108.3	T257	T257-K259 PolarHBondContact O-N 3.34Å; T257-K259 VanDerWaalsContact O-N 3.13Å; T257-K259 PolarHBondContact OG1-N 2.93Å
260	P	46	Very low	51.6	Low	52 Å²	52	68.5 Å²	68.5	34%	0.338	34%	0.338	S	S	.	.			trans	-57.6	143.6	168	25.6	-31.4	0	0	0	108.6	H250 E262	H250-P260 WeakPolarHBondContact NE2-CA 3.33Å; P260-E262 PolarHBondContact O-N 2.91Å; P260-E262 VanDerWaalsContact O-N 3.14Å
261	H	47.4	Very low	53.3	Low	125 Å²	125	71.3 Å²	71.3	58%	0.579	35%	0.354	S	S	*	.			trans	-58.8	121.1	161.4	-161.6	51.6	0	0	0	103.8	H250 S263	H250-H261 WeakPolarHBondContact CE1-CB 3.5Å; H250-H261 PolarHBondContact CE1-N 3.46Å; H250-H261 PolarHBondContact NE2-N 3.34Å; H261-S263 VanDerWaalsContact C-N 3.28Å; H261-S263 PolarHBondContact O-N 3.14Å
262	E	49.8	Very low	55.2	Low	144 Å²	144	69.1 Å²	69.1	67%	0.673	34%	0.343	S	S	*	.			trans	-65.3	99.2	177.2	-57.4	-175.7	155.8	0	0	107.3	P260 L264	P260-E262 PolarHBondContact O-N 2.91Å; P260-E262 VanDerWaalsContact O-N 3.14Å; E262-L264 HydrophobicContact CB-CD1 4.27Å; E262-L264 HydrophobicContact CB-CD2 3.91Å; E262-L264 HydrophobicContact CB-CG 3.66Å; E262-L264 PolarHBondContact O-N 3.4Å
263	S	59.3	Low	57.1	Low	7 Å²	7	61 Å²	61	5%	0.049	31%	0.305	C	S	.	.			trans	-75.2	51.4	171.1	59	0	0	0	0	109.3	A132 E238 H261 K265 L266 Q267	A132-S263 VanDerWaalsContact CB-OG 3.32Å; A132-S263 WeakPolarHBondContact CB-OG 3.33Å; E238-S263 WeakPolarHBondContact OE2-CB 3.29Å; H261-S263 VanDerWaalsContact C-N 3.28Å; H261-S263 PolarHBondContact O-N 3.14Å; S263-K265 PolarHBondContact O-N 3Å; S263-K265 VanDerWaalsContact O-N 3.12Å; S263-L266 PolarHBondContact O-N 3.41Å; S263-Q267 WeakPolarHBondContact O-CB 3.45Å; S263-Q267 PolarHBondContact O-N 3Å
264	L	55.1	Low	58.9	Low	102 Å²	102	55.6 Å²	55.6	53%	0.534	28%	0.283	S	S	.	.	H	α-helix	trans	-57.7	-30.9	-171.8	-65.1	177.9	0	0	0	111.3	E262 S268	E262-L264 HydrophobicContact CB-CD1 4.27Å; E262-L264 HydrophobicContact CB-CD2 3.91Å; E262-L264 HydrophobicContact CB-CG 3.66Å; E262-L264 PolarHBondContact O-N 3.4Å; L264-S268 WeakPolarHBondContact O-CB 3.48Å; L264-S268 PolarHBondContact O-N 3.15Å
265	K	68.7	Low	60.6	Low	99 Å²	99	52.8 Å²	52.8	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-78.5	-47.2	-176.4	-62.9	-168.6	-179.4	-166.5	0	112.3	H234 S263 Q267 S268 F269	H234-K265 HydrophobicContact CB-CB 4.4Å; H234-K265 HydrophobicContact CB-CD 3.95Å; H234-K265 VanDerWaalsContact CD2-CD 3.49Å; H234-K265 WeakPolarHBondContact CD2-CD 3.39Å; H234-K265 PolarHBondContact CD2-NZ 3.28Å; H234-K265 VanDerWaalsContact CD2-NZ 3.33Å; H234-K265 PolarHBondContact CE1-NZ 2.74Å; H234-K265 PolarHBondContact NE2-NZ 3.14Å; S263-K265 PolarHBondContact O-N 3Å; S263-K265 VanDerWaalsContact O-N 3.12Å; K265-Q267 VanDerWaalsContact C-N 3.28Å; K265-Q267 PolarHBondContact O-N 3.34Å; K265-S268 PolarHBondContact O-N 3.14Å; K265-F269 WeakPolarHBondContact O-CB 3.41Å; K265-F269 PolarHBondContact O-N 3.46Å
266	L	69.5	Low	62.5	Low	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-36.8	172.3	-176.1	66.3	0	0	0	112.1	A132 L133 V235 E238 Y249 S263 F269 F270	A132-L266 HydrophobicContact CB-CD2 4.36Å; A132-L266 HydrophobicContact CB-CG 4.41Å; L133-L266 HydrophobicContact CD1-CD2 4.2Å; L133-L266 HydrophobicContact CD2-CD2 3.95Å; L133-L266 HydrophobicContact CG-CD2 3.69Å; V235-L266 HydrophobicContact CB-CD1 4.39Å; V235-L266 HydrophobicContact CG1-CD1 3.91Å; V235-L266 HydrophobicContact CG2-CD1 4.02Å; E238-L266 PolarHBondContact OE1-N 3.44Å; E238-L266 WeakPolarHBondContact OE2-CB 3.49Å; Y249-L266 VanDerWaalsContact OH-CD2 3.3Å; Y249-L266 WeakPolarHBondContact OH-CD2 3.47Å; S263-L266 PolarHBondContact O-N 3.41Å; L266-F269 HydrophobicContact CD1-CD1 4.47Å; L266-F269 PolarHBondContact O-N 3.41Å; L266-F270 WeakPolarHBondContact O-CB 3.42Å; L266-F270 PolarHBondContact O-N 2.94Å
267	Q	64.5	Low	64.4	Low	49 Å²	49	53.3 Å²	53.3	23%	0.229	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-49.8	174.4	-171	-171.7	-24.3	0	0	111.3	A132 S263 K265 F269 F270 D271	A132-Q267 HydrophobicContact CB-CB 4.02Å; S263-Q267 WeakPolarHBondContact O-CB 3.45Å; S263-Q267 PolarHBondContact O-N 3Å; K265-Q267 VanDerWaalsContact C-N 3.28Å; K265-Q267 PolarHBondContact O-N 3.34Å; Q267-F269 PolarHBondContact O-N 3.44Å; Q267-F270 PolarHBondContact O-N 2.88Å; Q267-D271 PolarHBondContact O-N 3.34Å
268	S	73.7	Confident	66.1	Low	40 Å²	40	54.5 Å²	54.5	28%	0.28	27%	0.273	S	S	.	.	H	α-helix	trans	-53.5	-53.3	173.7	164.7	0	0	0	0	110.8	E231 L264 K265 F270 D271 K272	E231-S268 PolarHBondContact OE1-OG 3.24Å; L264-S268 WeakPolarHBondContact O-CB 3.48Å; L264-S268 PolarHBondContact O-N 3.15Å; K265-S268 PolarHBondContact O-N 3.14Å; S268-F270 VanDerWaalsContact C-N 3.27Å; S268-F270 PolarHBondContact O-N 3.35Å; S268-D271 PolarHBondContact O-N 2.98Å; S268-K272 WeakPolarHBondContact O-CG 3.32Å; S268-K272 PolarHBondContact O-N 3Å; S268-K272 WeakPolarHBondContact OG-CE 3.38Å
269	F	81.2	Confident	67.7	Low	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-54.7	-44.4	178.7	175.3	-102.5	0	0	0	112	L214 M223 W226 E231 I232 V235 K265 L266 Q267 K272 L273	L214-F269 HydrophobicContact CD2-CE1 4.01Å; M223-F269 HydrophobicContact CE-CZ 4.11Å; M223-F269 HydrophobicContact CG-CZ 4.22Å; M223-F269 HydrophobicContact SD-CZ 4.35Å; W226-F269 HydrophobicContact CD2-CD2 4.4Å; W226-F269 AromaticContact CD2-CE2 3.83Å; W226-F269 HydrophobicContact CD2-CE2 3.83Å; W226-F269 AromaticContact CE2-CD2 3.69Å; W226-F269 AromaticContact CE2-CE2 3.58Å; W226-F269 AromaticContact CE3-CE2 3.99Å; W226-F269 HydrophobicContact CE3-CE2 3.99Å; W226-F269 HydrophobicContact CH2-CD2 4.04Å; W226-F269 AromaticContact CH2-CE2 3.7Å; W226-F269 HydrophobicContact CH2-CE2 3.7Å; W226-F269 HydrophobicContact CH2-CZ 4.49Å; W226-F269 AromaticContact CZ2-CD2 3.5Å; W226-F269 HydrophobicContact CZ2-CD2 3.5Å; W226-F269 VanDerWaalsContact CZ2-CD2 3.5Å; W226-F269 AromaticContact CZ2-CE2 3.52Å; W226-F269 HydrophobicContact CZ2-CE2 3.52Å; W226-F269 AromaticContact CZ3-CE2 3.92Å; W226-F269 HydrophobicContact CZ3-CE2 3.92Å; W226-F269 AromaticContact NE1-CD2 3.98Å; E231-F269 HydrophobicContact CG-CB 4.07Å; E231-F269 HydrophobicContact CG-CD2 4.19Å; E231-F269 PolarHBondContact OE1-N 2.98Å; I232-F269 HydrophobicContact CD1-CD2 3.87Å; I232-F269 HydrophobicContact CD1-CE2 3.24Å; I232-F269 HydrophobicContact CD1-CZ 3.91Å; V235-F269 HydrophobicContact CG1-CD1 4.42Å; V235-F269 HydrophobicContact CG1-CE1 4.44Å; V235-F269 HydrophobicContact CG2-CB 3.79Å; V235-F269 HydrophobicContact CG2-CD1 3.57Å; V235-F269 HydrophobicContact CG2-CD2 4.08Å; V235-F269 HydrophobicContact CG2-CE1 4.18Å; V235-F269 HydrophobicContact CG2-CG 3.51Å; K265-F269 WeakPolarHBondContact O-CB 3.41Å; K265-F269 PolarHBondContact O-N 3.46Å; L266-F269 HydrophobicContact CD1-CD1 4.47Å; L266-F269 PolarHBondContact O-N 3.41Å; Q267-F269 PolarHBondContact O-N 3.44Å; F269-K272 PolarHBondContact O-N 3.34Å; F269-L273 HydrophobicContact CE1-CD2 4.18Å; F269-L273 HydrophobicContact CZ-CD1 4.42Å; F269-L273 HydrophobicContact CZ-CD2 4.46Å; F269-L273 VanDerWaalsContact O-CB 3.31Å; F269-L273 WeakPolarHBondContact O-CB 3.34Å; F269-L273 PolarHBondContact O-N 3.33Å
270	F	74	Confident	69.3	Low	8 Å²	8	45.6 Å²	45.6	4%	0.035	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-43.7	178.5	175.8	-108.2	0	0	0	113.7	I210 L213 L266 Q267 S268 K272 L273 T274	I210-F270 HydrophobicContact CB-CD2 4.01Å; I210-F270 HydrophobicContact CB-CE2 4.09Å; I210-F270 HydrophobicContact CD1-CB 3.77Å; I210-F270 HydrophobicContact CD1-CD1 3.74Å; I210-F270 HydrophobicContact CD1-CD2 3.34Å; I210-F270 HydrophobicContact CD1-CE1 4.11Å; I210-F270 HydrophobicContact CD1-CE2 3.76Å; I210-F270 HydrophobicContact CD1-CG 3.3Å; I210-F270 HydrophobicContact CD1-CZ 4.11Å; I210-F270 HydrophobicContact CG1-CD1 4.41Å; I210-F270 HydrophobicContact CG1-CD2 3.46Å; I210-F270 VanDerWaalsContact CG1-CD2 3.46Å; I210-F270 HydrophobicContact CG1-CE1 4.36Å; I210-F270 HydrophobicContact CG1-CE2 3.41Å; I210-F270 VanDerWaalsContact CG1-CE2 3.41Å; I210-F270 HydrophobicContact CG1-CG 3.96Å; I210-F270 HydrophobicContact CG1-CZ 3.87Å; I210-F270 HydrophobicContact CG2-CD2 3.87Å; I210-F270 HydrophobicContact CG2-CE2 4.42Å; L213-F270 HydrophobicContact CD1-CE2 3.7Å; L266-F270 WeakPolarHBondContact O-CB 3.42Å; L266-F270 PolarHBondContact O-N 2.94Å; Q267-F270 PolarHBondContact O-N 2.88Å; S268-F270 VanDerWaalsContact C-N 3.27Å; S268-F270 PolarHBondContact O-N 3.35Å; F270-K272 PolarHBondContact O-N 3Å; F270-L273 PolarHBondContact O-N 3.31Å; F270-T274 WeakPolarHBondContact CE2-OG1 3.43Å; F270-T274 VanDerWaalsContact CZ-OG1 3.25Å; F270-T274 WeakPolarHBondContact CZ-OG1 3.31Å; F270-T274 WeakPolarHBondContact O-CB 3.44Å; F270-T274 PolarHBondContact O-N 3.09Å; F270-T274 PolarHBondContact O-OG1 2.86Å
271	D	73.9	Confident	70.5	Confident	83 Å²	83	45.3 Å²	45.3	44%	0.444	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-40.4	178.1	-72.7	-26.7	0	0	0	110	Q267 S268 A275	Q267-D271 PolarHBondContact O-N 3.34Å; S268-D271 PolarHBondContact O-N 2.98Å; D271-A275 WeakPolarHBondContact O-CB 3.16Å; D271-A275 PolarHBondContact O-N 2.86Å
272	K	81.9	Confident	71.9	Confident	44 Å²	44	43.1 Å²	43.1	19%	0.191	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-45.2	174.2	-61.7	174.1	172.2	173.4	0	112.2	W226 E231 S268 F269 F270 T274 A275 L276 I296	W226-K272 HydrophobicContact CH2-CB 4.04Å; W226-K272 HydrophobicContact CZ2-CB 3.85Å; W226-K272 HydrophobicContact CZ2-CD 4.12Å; E231-K272 IonicContact OE1-NZ 3.68Å; E231-K272 PolarHBondContact OE1-NZ 2.91Å; E231-K272 IonicContact OE2-NZ 3.35Å; E231-K272 PolarHBondContact OE2-NZ 3.13Å; S268-K272 WeakPolarHBondContact O-CG 3.32Å; S268-K272 PolarHBondContact O-N 3Å; S268-K272 WeakPolarHBondContact OG-CE 3.38Å; F269-K272 PolarHBondContact O-N 3.34Å; F270-K272 PolarHBondContact O-N 3Å; K272-T274 VanDerWaalsContact C-N 3.34Å; K272-T274 PolarHBondContact O-N 2.98Å; K272-A275 PolarHBondContact O-N 3.27Å; K272-L276 PolarHBondContact O-N 3.5Å; K272-I296 HydrophobicContact CB-CD1 3.85Å; K272-I296 HydrophobicContact CB-CG1 3.89Å; K272-I296 HydrophobicContact CB-CG2 4.16Å; K272-I296 HydrophobicContact CD-CG1 4.3Å; K272-I296 HydrophobicContact CD-CG2 4.1Å; K272-I296 HydrophobicContact CG-CD1 4.23Å; K272-I296 HydrophobicContact CG-CG1 3.77Å; K272-I296 HydrophobicContact CG-CG2 4.33Å
273	L	80.3	Confident	72.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-42.4	178.7	-169.8	69.1	0	0	0	111.7	L213 I219 L222 W226 F269 F270 L276 H277	L213-L273 HydrophobicContact CB-CD2 4.11Å; I219-L273 HydrophobicContact CD1-CD1 3.71Å; I219-L273 HydrophobicContact CD1-CG 4.2Å; I219-L273 HydrophobicContact CG2-CD1 3.87Å; I219-L273 HydrophobicContact CG2-CD2 4.04Å; I219-L273 HydrophobicContact CG2-CG 4.49Å; L222-L273 HydrophobicContact CD2-CD1 4.19Å; W226-L273 HydrophobicContact CH2-CB 4.36Å; W226-L273 HydrophobicContact CH2-CD1 4.2Å; W226-L273 HydrophobicContact CZ3-CD1 3.89Å; F269-L273 HydrophobicContact CE1-CD2 4.18Å; F269-L273 HydrophobicContact CZ-CD1 4.42Å; F269-L273 HydrophobicContact CZ-CD2 4.46Å; F269-L273 VanDerWaalsContact O-CB 3.31Å; F269-L273 WeakPolarHBondContact O-CB 3.34Å; F269-L273 PolarHBondContact O-N 3.33Å; F270-L273 PolarHBondContact O-N 3.31Å; L273-L276 PolarHBondContact O-N 3.12Å; L273-H277 WeakPolarHBondContact O-CB 3.2Å; L273-H277 PolarHBondContact O-N 3.27Å
274	T	76.1	Confident	73.6	Confident	15 Å²	15	42.6 Å²	42.6	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-42.8	177.2	-61.3	0	0	0	0	111.2	F270 K272 L276 H277 R278	F270-T274 WeakPolarHBondContact CE2-OG1 3.43Å; F270-T274 VanDerWaalsContact CZ-OG1 3.25Å; F270-T274 WeakPolarHBondContact CZ-OG1 3.31Å; F270-T274 WeakPolarHBondContact O-CB 3.44Å; F270-T274 PolarHBondContact O-N 3.09Å; F270-T274 PolarHBondContact O-OG1 2.86Å; K272-T274 VanDerWaalsContact C-N 3.34Å; K272-T274 PolarHBondContact O-N 2.98Å; T274-L276 VanDerWaalsContact C-N 3.32Å; T274-L276 PolarHBondContact O-N 3.16Å; T274-H277 PolarHBondContact O-N 3.36Å; T274-R278 WeakPolarHBondContact O-CG 3.19Å; T274-R278 PolarHBondContact O-N 2.92Å
275	A	77.1	Confident	74.5	Confident	18 Å²	18	41.7 Å²	41.7	15%	0.149	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-44.3	175.7	0	0	0	0	0	111.5	D271 K272 R278 A279 T292 I296	D271-A275 WeakPolarHBondContact O-CB 3.16Å; D271-A275 PolarHBondContact O-N 2.86Å; K272-A275 PolarHBondContact O-N 3.27Å; A275-R278 PolarHBondContact O-N 3.34Å; A275-A279 PolarHBondContact O-N 3.42Å; A275-T292 HydrophobicContact CB-CG2 3.71Å; A275-I296 HydrophobicContact CB-CD1 4.2Å
276	L	77.1	Confident	74.6	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-45.7	175.6	-179.3	72	0	0	0	112.6	L222 K272 L273 T274 R278 A279 V280 L293 F298	L222-L276 HydrophobicContact CD1-CD2 3.64Å; L222-L276 HydrophobicContact CD2-CD2 3.02Å; L222-L276 HydrophobicContact CD2-CG 4.43Å; L222-L276 HydrophobicContact CG-CD2 3.88Å; K272-L276 PolarHBondContact O-N 3.5Å; L273-L276 PolarHBondContact O-N 3.12Å; T274-L276 VanDerWaalsContact C-N 3.32Å; T274-L276 PolarHBondContact O-N 3.16Å; L276-R278 PolarHBondContact O-N 2.9Å; L276-A279 WeakPolarHBondContact O-CB 3.32Å; L276-A279 PolarHBondContact O-N 2.85Å; L276-A279 VanDerWaalsContact O-N 3.14Å; L276-V280 HydrophobicContact CD1-CG2 4.01Å; L276-V280 HydrophobicContact CG-CG2 4.15Å; L276-V280 VanDerWaalsContact O-CB 3.32Å; L276-V280 WeakPolarHBondContact O-CB 3.44Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.46Å; L276-L293 HydrophobicContact CB-CD2 3.8Å; L276-L293 HydrophobicContact CD1-CD1 3.99Å; L276-L293 HydrophobicContact CD1-CD2 3.48Å; L276-L293 VanDerWaalsContact CD1-CD2 3.48Å; L276-L293 HydrophobicContact CD1-CG 4.41Å; L276-L293 HydrophobicContact CG-CD2 4.22Å; L276-F298 HydrophobicContact CD2-CE2 4.25Å; L276-F298 HydrophobicContact CD2-CZ 4.26Å
277	H	77.1	Confident	74.9	Confident	63 Å²	63	45.4 Å²	45.4	29%	0.292	26%	0.264	S	S	.	.	H	α-helix	trans	-56.2	-40.8	176.8	-175.3	71.9	0	0	0	111.6	L213 L273 T274 V280 A281	L213-H277 HydrophobicContact CD2-CB 4.31Å; L273-H277 WeakPolarHBondContact O-CB 3.2Å; L273-H277 PolarHBondContact O-N 3.27Å; T274-H277 PolarHBondContact O-N 3.36Å; H277-V280 PolarHBondContact O-N 3Å; H277-A281 VanDerWaalsContact O-CB 3.3Å; H277-A281 WeakPolarHBondContact O-CB 3.4Å; H277-A281 PolarHBondContact O-N 3.22Å
278	R	75.4	Confident	75.3	Confident	98 Å²	98	47.7 Å²	47.7	37%	0.37	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-45.3	175.2	-75.8	-179.9	-175.2	166.4	8	113.3	T274 A275 L276 V280 A281 N282	T274-R278 WeakPolarHBondContact O-CG 3.19Å; T274-R278 PolarHBondContact O-N 2.92Å; A275-R278 PolarHBondContact O-N 3.34Å; L276-R278 PolarHBondContact O-N 2.9Å; R278-V280 PolarHBondContact O-N 2.95Å; R278-A281 PolarHBondContact O-N 2.93Å; R278-N282 WeakPolarHBondContact O-CB 3.46Å; R278-N282 PolarHBondContact O-N 3.41Å; R278-N282 PolarHBondContact O-ND2 3.05Å
279	A	74	Confident	75.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-41.1	177.6	0	0	0	0	0	111.4	A275 L276 N282 L293	A275-A279 PolarHBondContact O-N 3.42Å; L276-A279 WeakPolarHBondContact O-CB 3.32Å; L276-A279 PolarHBondContact O-N 2.85Å; L276-A279 VanDerWaalsContact O-N 3.14Å; A279-N282 CarbonylContact O-C 3.45Å; A279-L293 HydrophobicContact CB-CD1 3.73Å
280	V	72.3	Confident	75.1	Confident	6 Å²	6	50.1 Å²	50.1	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-73.3	-39.4	-178.2	167.7	0	0	0	0	111.8	L276 H277 R278 F306 I307 R310	L276-V280 HydrophobicContact CD1-CG2 4.01Å; L276-V280 HydrophobicContact CG-CG2 4.15Å; L276-V280 VanDerWaalsContact O-CB 3.32Å; L276-V280 WeakPolarHBondContact O-CB 3.44Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.46Å; H277-V280 PolarHBondContact O-N 3Å; R278-V280 PolarHBondContact O-N 2.95Å; V280-F306 HydrophobicContact CB-CE1 4.47Å; V280-F306 HydrophobicContact CG1-CE1 3.98Å; V280-F306 HydrophobicContact CG2-CD1 3.87Å; V280-F306 HydrophobicContact CG2-CE1 3.58Å; V280-I307 HydrophobicContact CG2-CG1 4.45Å; V280-R310 VanDerWaalsContact CG1-CZ 3.42Å; V280-R310 VanDerWaalsContact CG1-NH1 3.28Å; V280-R310 PolarHBondContact O-NH1 3.44Å
281	A	73	Confident	75.4	Confident	46 Å²	46	56.6 Å²	56.6	38%	0.38	32%	0.321	S	S	.	.	H	α-helix	trans	-75.8	-23.7	177.7	0	0	0	0	0	113.7	H277 R278	H277-A281 VanDerWaalsContact O-CB 3.3Å; H277-A281 WeakPolarHBondContact O-CB 3.4Å; H277-A281 PolarHBondContact O-N 3.22Å; R278-A281 PolarHBondContact O-N 2.93Å
282	N	76	Confident	75.7	Confident	79 Å²	79	55.7 Å²	55.7	42%	0.422	32%	0.319	S	S	.	.			trans	-127.4	82.2	-177.1	-60.8	-84.3	0	0	0	110.9	R278 A279 G284 L285	R278-N282 WeakPolarHBondContact O-CB 3.46Å; R278-N282 PolarHBondContact O-N 3.41Å; R278-N282 PolarHBondContact O-ND2 3.05Å; A279-N282 CarbonylContact O-C 3.45Å; N282-G284 PolarHBondContact O-N 3.14Å; N282-G284 VanDerWaalsContact O-N 3.09Å; N282-L285 HydrophobicContact CB-CB 4.13Å; N282-L285 HydrophobicContact CB-CD1 3.75Å; N282-L285 HydrophobicContact CB-CG 3.93Å; N282-L285 WeakPolarHBondContact O-CB 3.29Å; N282-L285 PolarHBondContact O-N 3.03Å
283	P	69.8	Low	75.5	Confident	60 Å²	60	53.7 Å²	53.7	39%	0.39	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-57	-29.5	180	-24.8	33.5	0	0	0	113.5	L285 W286	P283-L285 PolarHBondContact O-N 2.9Å; P283-W286 WeakPolarHBondContact O-CB 3.05Å; P283-W286 PolarHBondContact O-N 2.86Å
284	G	75.7	Confident	75.6	Confident	79 Å²	79	61.1 Å²	61.1	81%	0.814	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-64.3	-21.4	174.6	0	0	0	0	0	114.2	N282 W286	N282-G284 PolarHBondContact O-N 3.14Å; N282-G284 VanDerWaalsContact O-N 3.09Å; G284-W286 VanDerWaalsContact C-N 3.31Å
285	L	73.4	Confident	75.9	Confident	83 Å²	83	66.6 Å²	66.6	44%	0.435	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-92.4	10.3	174.5	-61.6	178.7	0	0	0	112.4	N282 P283 V287 C288 S289	N282-L285 HydrophobicContact CB-CB 4.13Å; N282-L285 HydrophobicContact CB-CD1 3.75Å; N282-L285 HydrophobicContact CB-CG 3.93Å; N282-L285 WeakPolarHBondContact O-CB 3.29Å; N282-L285 PolarHBondContact O-N 3.03Å; P283-L285 PolarHBondContact O-N 2.9Å; L285-V287 VanDerWaalsContact C-N 3.32Å; L285-V287 PolarHBondContact O-N 3.37Å; L285-C288 PolarHBondContact O-N 3.03Å; L285-C288 VanDerWaalsContact O-N 3.17Å; L285-S289 WeakPolarHBondContact O-CB 3.4Å; L285-S289 PolarHBondContact O-N 2.85Å; L285-S289 PolarHBondContact O-OG 2.75Å
286	W	70.1	Confident	76.2	Confident	57 Å²	57	66.5 Å²	66.5	22%	0.216	37%	0.368	C	S	.	.	H	α-helix	trans	-54	-47.9	-178.8	172.5	-120.5	0	0	0	112.2	P283 G284 C288 S289 K290 L293 V303 I307	P283-W286 WeakPolarHBondContact O-CB 3.05Å; P283-W286 PolarHBondContact O-N 2.86Å; G284-W286 VanDerWaalsContact C-N 3.31Å; W286-C288 VanDerWaalsContact C-N 3.31Å; W286-C288 PolarHBondContact O-N 3.16Å; W286-S289 PolarHBondContact O-N 3.35Å; W286-S289 VanDerWaalsContact O-N 3.16Å; W286-K290 VanDerWaalsContact O-CB 3.31Å; W286-K290 WeakPolarHBondContact O-CB 3.31Å; W286-K290 PolarHBondContact O-N 3.16Å; W286-L293 HydrophobicContact CH2-CD1 4.47Å; W286-L293 HydrophobicContact CZ3-CD1 3.74Å; W286-V303 HydrophobicContact CH2-CB 3.69Å; W286-V303 HydrophobicContact CH2-CG1 3.19Å; W286-V303 HydrophobicContact CZ2-CG1 4.49Å; W286-V303 HydrophobicContact CZ3-CB 4.23Å; W286-V303 HydrophobicContact CZ3-CG1 3.22Å; W286-I307 HydrophobicContact CD2-CD1 3.97Å; W286-I307 HydrophobicContact CE3-CD1 3.14Å; W286-I307 HydrophobicContact CH2-CD1 4.03Å; W286-I307 HydrophobicContact CZ3-CD1 3.2Å
287	V	76.2	Confident	76.5	Confident	121 Å²	121	68.4 Å²	68.4	73%	0.733	39%	0.39	S	S	*	.	H	α-helix	trans	-59.3	-43.1	-179.7	-178.9	0	0	0	0	111.3	L285	L285-V287 VanDerWaalsContact C-N 3.32Å; L285-V287 PolarHBondContact O-N 3.37Å
288	C	72.3	Confident	76.8	Confident	96 Å²	96	66 Å²	66	65%	0.649	38%	0.378	S	S	*	.	H	α-helix	trans	-70.4	-36.9	177.8	-60.7	0	0	0	0	112.3	L285 W286	L285-C288 PolarHBondContact O-N 3.03Å; L285-C288 VanDerWaalsContact O-N 3.17Å; W286-C288 VanDerWaalsContact C-N 3.31Å; W286-C288 PolarHBondContact O-N 3.16Å
289	S	74.8	Confident	77.2	Confident	16 Å²	16	66 Å²	66	11%	0.112	39%	0.385	C	S	.	.	H	α-helix	trans	-80.5	-21.5	-176.9	-51.9	0	0	0	0	112.6	L285 W286 E291 T292 L293	L285-S289 WeakPolarHBondContact O-CB 3.4Å; L285-S289 PolarHBondContact O-N 2.85Å; L285-S289 PolarHBondContact O-OG 2.75Å; W286-S289 PolarHBondContact O-N 3.35Å; W286-S289 VanDerWaalsContact O-N 3.16Å; S289-E291 VanDerWaalsContact C-N 3.35Å; S289-E291 PolarHBondContact O-N 3.17Å; S289-T292 WeakPolarHBondContact O-CB 3.33Å; S289-T292 PolarHBondContact O-N 3.35Å; S289-T292 VanDerWaalsContact O-N 3.16Å; S289-L293 VanDerWaalsContact O-CG 3.29Å; S289-L293 WeakPolarHBondContact O-CG 3.47Å; S289-L293 PolarHBondContact O-N 2.81Å
290	K	77	Confident	77.6	Confident	76 Å²	76	70.9 Å²	70.9	33%	0.33	41%	0.408	S	S	.	.	H	α-helix	trans	-55.5	-46.8	-177.8	-174.8	-178.7	-179.9	-179.5	0	112.3	W286 L293 K294 E300	W286-K290 VanDerWaalsContact O-CB 3.31Å; W286-K290 WeakPolarHBondContact O-CB 3.31Å; W286-K290 PolarHBondContact O-N 3.16Å; K290-L293 PolarHBondContact O-N 3.47Å; K290-K294 WeakPolarHBondContact O-CB 3.42Å; K290-K294 PolarHBondContact O-N 2.89Å; K290-E300 WeakPolarHBondContact CE-OE1 3.31Å; K290-E300 WeakPolarHBondContact CE-OE2 3.16Å; K290-E300 IonicContact NZ-OE1 2.61Å; K290-E300 PolarHBondContact NZ-OE1 3.08Å; K290-E300 IonicContact NZ-OE2 3.06Å; K290-E300 PolarHBondContact NZ-OE2 3.35Å
291	E	79.8	Confident	78.2	Confident	143 Å²	143	78.2 Å²	78.2	67%	0.668	44%	0.442	S	S	*	.	H	α-helix	trans	-66.3	-40.6	179.3	-170.9	171.2	-170.4	0	0	111.5	S289 L293 K294 N295	S289-E291 VanDerWaalsContact C-N 3.35Å; S289-E291 PolarHBondContact O-N 3.17Å; E291-L293 PolarHBondContact O-N 3.05Å; E291-K294 PolarHBondContact O-N 3.06Å; E291-N295 VanDerWaalsContact O-CG 3.26Å; E291-N295 PolarHBondContact O-N 3.31Å; E291-N295 PolarHBondContact O-ND2 3.39Å
292	T	79.5	Confident	78.9	Confident	64 Å²	64	77 Å²	77	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-61.4	-43	174.7	-48.6	0	0	0	0	111.9	A275 S289 N295 I296	A275-T292 HydrophobicContact CB-CG2 3.71Å; S289-T292 WeakPolarHBondContact O-CB 3.33Å; S289-T292 PolarHBondContact O-N 3.35Å; S289-T292 VanDerWaalsContact O-N 3.16Å; T292-N295 PolarHBondContact O-N 3.43Å; T292-I296 HydrophobicContact CG2-CD1 4.35Å; T292-I296 WeakPolarHBondContact O-CD1 3.46Å; T292-I296 VanDerWaalsContact O-CG1 3.28Å; T292-I296 WeakPolarHBondContact O-CG1 3.49Å; T292-I296 PolarHBondContact O-N 3.09Å; T292-I296 VanDerWaalsContact O-N 3.12Å
293	L	79.4	Confident	79.2	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.016	41%	0.409	C	S	.	.	H	α-helix	trans	-70.1	-35.8	179.8	-67.4	176.6	0	0	0	113.1	L276 A279 W286 S289 K290 E291 N295 I296 G297 F298 V303	L276-L293 HydrophobicContact CB-CD2 3.8Å; L276-L293 HydrophobicContact CD1-CD1 3.99Å; L276-L293 HydrophobicContact CD1-CD2 3.48Å; L276-L293 VanDerWaalsContact CD1-CD2 3.48Å; L276-L293 HydrophobicContact CD1-CG 4.41Å; L276-L293 HydrophobicContact CG-CD2 4.22Å; A279-L293 HydrophobicContact CB-CD1 3.73Å; W286-L293 HydrophobicContact CH2-CD1 4.47Å; W286-L293 HydrophobicContact CZ3-CD1 3.74Å; S289-L293 VanDerWaalsContact O-CG 3.29Å; S289-L293 WeakPolarHBondContact O-CG 3.47Å; S289-L293 PolarHBondContact O-N 2.81Å; K290-L293 PolarHBondContact O-N 3.47Å; E291-L293 PolarHBondContact O-N 3.05Å; L293-N295 VanDerWaalsContact C-N 3.32Å; L293-I296 HydrophobicContact CD2-CD1 3.86Å; L293-I296 WeakPolarHBondContact O-CB 3.18Å; L293-I296 PolarHBondContact O-N 3.43Å; L293-I296 VanDerWaalsContact O-N 3.16Å; L293-G297 PolarHBondContact O-N 2.93Å; L293-F298 PolarHBondContact O-N 3.47Å; L293-V303 HydrophobicContact CD1-CG1 3.51Å
294	K	81.8	Confident	79.9	Confident	156 Å²	156	75.8 Å²	75.8	68%	0.678	41%	0.414	S	S	*	.	H	α-helix	trans	-62.2	-41.4	171.1	-172.4	177.3	179.5	178.9	0	111.4	K290 E291 I296 G297	K290-K294 WeakPolarHBondContact O-CB 3.42Å; K290-K294 PolarHBondContact O-N 2.89Å; E291-K294 PolarHBondContact O-N 3.06Å; K294-I296 PolarHBondContact O-N 3.19Å; K294-G297 PolarHBondContact O-N 3.33Å
295	N	81.7	Confident	80.4	Confident	129 Å²	129	72.7 Å²	72.7	69%	0.69	38%	0.381	S	S	*	.	H	α-helix	trans	-67.3	-22	175.9	-68.9	-19.1	0	0	0	113.2	E291 T292 L293 G297	E291-N295 VanDerWaalsContact O-CG 3.26Å; E291-N295 PolarHBondContact O-N 3.31Å; E291-N295 PolarHBondContact O-ND2 3.39Å; T292-N295 PolarHBondContact O-N 3.43Å; L293-N295 VanDerWaalsContact C-N 3.32Å; N295-G297 VanDerWaalsContact C-N 3.26Å
296	I	83.1	Confident	80.9	Confident	16 Å²	16	69.1 Å²	69.1	8%	0.082	36%	0.362	C	S	.	.	H	α-helix	trans	-74.9	-20.5	172.1	-67.1	162.6	0	0	0	111.5	W226 K272 A275 T292 L293 K294 F298	W226-I296 HydrophobicContact CZ2-CG2 4.38Å; K272-I296 HydrophobicContact CB-CD1 3.85Å; K272-I296 HydrophobicContact CB-CG1 3.89Å; K272-I296 HydrophobicContact CB-CG2 4.16Å; K272-I296 HydrophobicContact CD-CG1 4.3Å; K272-I296 HydrophobicContact CD-CG2 4.1Å; K272-I296 HydrophobicContact CG-CD1 4.23Å; K272-I296 HydrophobicContact CG-CG1 3.77Å; K272-I296 HydrophobicContact CG-CG2 4.33Å; A275-I296 HydrophobicContact CB-CD1 4.2Å; T292-I296 HydrophobicContact CG2-CD1 4.35Å; T292-I296 WeakPolarHBondContact O-CD1 3.46Å; T292-I296 VanDerWaalsContact O-CG1 3.28Å; T292-I296 WeakPolarHBondContact O-CG1 3.49Å; T292-I296 PolarHBondContact O-N 3.09Å; T292-I296 VanDerWaalsContact O-N 3.12Å; L293-I296 HydrophobicContact CD2-CD1 3.86Å; L293-I296 WeakPolarHBondContact O-CB 3.18Å; L293-I296 PolarHBondContact O-N 3.43Å; L293-I296 VanDerWaalsContact O-N 3.16Å; K294-I296 PolarHBondContact O-N 3.19Å; I296-F298 HydrophobicContact CB-CD2 4.07Å; I296-F298 HydrophobicContact CG2-CD2 3.49Å; I296-F298 VanDerWaalsContact CG2-CD2 3.49Å; I296-F298 HydrophobicContact CG2-CE2 3.52Å
297	G	84.5	Confident	81.5	Confident	46 Å²	46	67.1 Å²	67.1	47%	0.474	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.1	7.6	-178.9	0	0	0	0	0	114.1	P227 L293 K294 N295	P227-G297 WeakPolarHBondContact CB-O 3.47Å; P227-G297 VanDerWaalsContact CG-C 3.41Å; P227-G297 WeakPolarHBondContact CG-O 3.32Å; L293-G297 PolarHBondContact O-N 2.93Å; K294-G297 PolarHBondContact O-N 3.33Å; N295-G297 VanDerWaalsContact C-N 3.26Å
298	F	83.8	Confident	81.9	Confident	12 Å²	12	66.7 Å²	66.7	5%	0.053	35%	0.346	C	S	.	.			trans	-73.1	137	172.4	-75	-77.5	0	0	0	110.7	L222 W226 P227 L276 L293 I296 F302 V303	L222-F298 HydrophobicContact CD1-CE1 4.16Å; L222-F298 HydrophobicContact CD1-CZ 4.19Å; L222-F298 HydrophobicContact CD2-CZ 4.46Å; L222-F298 HydrophobicContact CG-CZ 4.37Å; W226-F298 HydrophobicContact CD2-CZ 4.19Å; W226-F298 HydrophobicContact CE3-CE2 4.25Å; W226-F298 AromaticContact CE3-CZ 3.65Å; W226-F298 HydrophobicContact CE3-CZ 3.65Å; W226-F298 HydrophobicContact CH2-CE2 4.39Å; W226-F298 HydrophobicContact CZ3-CE2 4.11Å; W226-F298 AromaticContact CZ3-CZ 3.87Å; W226-F298 HydrophobicContact CZ3-CZ 3.87Å; P227-F298 HydrophobicContact CG-CB 4.39Å; P227-F298 HydrophobicContact CG-CD1 3.73Å; P227-F298 HydrophobicContact CG-CD2 4.01Å; P227-F298 HydrophobicContact CG-CE1 3.95Å; P227-F298 HydrophobicContact CG-CE2 4.2Å; P227-F298 HydrophobicContact CG-CG 3.76Å; P227-F298 HydrophobicContact CG-CZ 4.18Å; L276-F298 HydrophobicContact CD2-CE2 4.25Å; L276-F298 HydrophobicContact CD2-CZ 4.26Å; L293-F298 PolarHBondContact O-N 3.47Å; I296-F298 HydrophobicContact CB-CD2 4.07Å; I296-F298 HydrophobicContact CG2-CD2 3.49Å; I296-F298 VanDerWaalsContact CG2-CD2 3.49Å; I296-F298 HydrophobicContact CG2-CE2 3.52Å; F298-F302 AromaticContact CD1-CD1 3.73Å; F298-F302 HydrophobicContact CD1-CD1 3.73Å; F298-F302 AromaticContact CD1-CE1 3.77Å; F298-F302 HydrophobicContact CD1-CE1 3.77Å; F298-F302 HydrophobicContact CE1-CD1 4.28Å; F298-F302 AromaticContact CE1-CE1 3.83Å; F298-F302 HydrophobicContact CE1-CE1 3.83Å; F298-V303 HydrophobicContact CB-CG2 3.42Å; F298-V303 VanDerWaalsContact CB-CG2 3.42Å; F298-V303 HydrophobicContact CG-CG2 4.11Å
299	D	82.7	Confident	82.4	Confident	97 Å²	97	62.5 Å²	62.5	52%	0.519	32%	0.319	S	S	.	.			trans	-66.5	141.7	173.2	-176	84.2	0	0	0	111.3	E301 F302 V303	D299-E301 VanDerWaalsContact C-N 3.33Å; D299-E301 PolarHBondContact O-N 3.49Å; D299-E301 WeakPolarHBondContact OD2-CA 3.35Å; D299-E301 VanDerWaalsContact OD2-CB 3.25Å; D299-E301 WeakPolarHBondContact OD2-CB 3.41Å; D299-E301 PolarHBondContact OD2-N 2.85Å; D299-F302 HydrophobicContact CB-CB 4.1Å; D299-F302 WeakPolarHBondContact O-CB 3.3Å; D299-F302 PolarHBondContact O-N 3.27Å; D299-F302 PolarHBondContact OD2-N 3.27Å; D299-V303 WeakPolarHBondContact O-CG2 3.47Å; D299-V303 PolarHBondContact O-N 3.47Å; D299-V303 VanDerWaalsContact O-N 3.08Å
300	E	82.1	Confident	82.7	Confident	103 Å²	103	65.1 Å²	65.1	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-39.5	-177.5	-176.1	175.1	160.3	0	0	112.5	K290 K304	K290-E300 WeakPolarHBondContact CE-OE1 3.31Å; K290-E300 WeakPolarHBondContact CE-OE2 3.16Å; K290-E300 IonicContact NZ-OE1 2.61Å; K290-E300 PolarHBondContact NZ-OE1 3.08Å; K290-E300 IonicContact NZ-OE2 3.06Å; K290-E300 PolarHBondContact NZ-OE2 3.35Å; E300-K304 WeakPolarHBondContact O-CB 3.49Å; E300-K304 PolarHBondContact O-N 2.71Å
301	E	86.2	Confident	83	Confident	160 Å²	160	66.6 Å²	66.6	75%	0.748	34%	0.338	S	S	*	.	H	α-helix	trans	-67.6	-40	177	-59.5	-170.1	161.1	0	0	111	D299 V303 G305	D299-E301 VanDerWaalsContact C-N 3.33Å; D299-E301 PolarHBondContact O-N 3.49Å; D299-E301 WeakPolarHBondContact OD2-CA 3.35Å; D299-E301 VanDerWaalsContact OD2-CB 3.25Å; D299-E301 WeakPolarHBondContact OD2-CB 3.41Å; D299-E301 PolarHBondContact OD2-N 2.85Å; E301-V303 PolarHBondContact O-N 3.37Å; E301-G305 PolarHBondContact O-N 3.11Å
302	F	86.8	Confident	83.2	Confident	21 Å²	21	62.1 Å²	62.1	9%	0.092	33%	0.325	C	S	.	.	H	α-helix	trans	-58.7	-50.4	176.6	177.2	-90.4	0	0	0	111.1	L222 Y225 F298 D299 G305 F306 F318 L319 Q322	L222-F302 HydrophobicContact CD1-CE1 4.1Å; L222-F302 HydrophobicContact CD1-CZ 4.37Å; Y225-F302 HydrophobicContact CD1-CE2 4.22Å; Y225-F302 HydrophobicContact CD2-CZ 4.43Å; Y225-F302 AromaticContact CG-CE2 3.91Å; Y225-F302 HydrophobicContact CG-CE2 3.91Å; Y225-F302 HydrophobicContact CG-CZ 4.02Å; F298-F302 AromaticContact CD1-CD1 3.73Å; F298-F302 HydrophobicContact CD1-CD1 3.73Å; F298-F302 AromaticContact CD1-CE1 3.77Å; F298-F302 HydrophobicContact CD1-CE1 3.77Å; F298-F302 HydrophobicContact CE1-CD1 4.28Å; F298-F302 AromaticContact CE1-CE1 3.83Å; F298-F302 HydrophobicContact CE1-CE1 3.83Å; D299-F302 HydrophobicContact CB-CB 4.1Å; D299-F302 WeakPolarHBondContact O-CB 3.3Å; D299-F302 PolarHBondContact O-N 3.27Å; D299-F302 PolarHBondContact OD2-N 3.27Å; F302-G305 PolarHBondContact O-N 3.23Å; F302-F306 WeakPolarHBondContact O-CB 3.45Å; F302-F306 PolarHBondContact O-N 2.84Å; F302-F318 HydrophobicContact CD2-CE1 4.16Å; F302-F318 HydrophobicContact CD2-CZ 4.15Å; F302-F318 HydrophobicContact CE2-CE1 4.11Å; F302-F318 VanDerWaalsContact O-CZ 3.25Å; F302-F318 WeakPolarHBondContact O-CZ 3.48Å; F302-L319 HydrophobicContact CE2-CD2 4.15Å; F302-L319 HydrophobicContact CZ-CD2 4.06Å; F302-Q322 HydrophobicContact CD2-CG 4.02Å; F302-Q322 HydrophobicContact CE2-CB 4.36Å; F302-Q322 HydrophobicContact CE2-CG 3.94Å
303	V	82.4	Confident	83.4	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.024	34%	0.341	C	S	.	.	H	α-helix	trans	-69.6	-40.9	-176.1	-174.8	0	0	0	0	111.5	W286 L293 F298 D299 E301 F306 I307	W286-V303 HydrophobicContact CH2-CB 3.69Å; W286-V303 HydrophobicContact CH2-CG1 3.19Å; W286-V303 HydrophobicContact CZ2-CG1 4.49Å; W286-V303 HydrophobicContact CZ3-CB 4.23Å; W286-V303 HydrophobicContact CZ3-CG1 3.22Å; L293-V303 HydrophobicContact CD1-CG1 3.51Å; F298-V303 HydrophobicContact CB-CG2 3.42Å; F298-V303 VanDerWaalsContact CB-CG2 3.42Å; F298-V303 HydrophobicContact CG-CG2 4.11Å; D299-V303 WeakPolarHBondContact O-CG2 3.47Å; D299-V303 PolarHBondContact O-N 3.47Å; D299-V303 VanDerWaalsContact O-N 3.08Å; E301-V303 PolarHBondContact O-N 3.37Å; V303-F306 WeakPolarHBondContact O-CB 3.33Å; V303-F306 PolarHBondContact O-N 3.35Å; V303-I307 HydrophobicContact CG1-CD1 4.17Å; V303-I307 WeakPolarHBondContact O-CG1 3.48Å; V303-I307 PolarHBondContact O-N 3.39Å
304	K	83.9	Confident	83.8	Confident	110 Å²	110	69.6 Å²	69.6	48%	0.478	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-48.3	175.1	-177.8	-179.7	173.3	-174.7	0	110.8	E300 F306 I307 E308	E300-K304 WeakPolarHBondContact O-CB 3.49Å; E300-K304 PolarHBondContact O-N 2.71Å; K304-F306 VanDerWaalsContact C-N 3.31Å; K304-F306 PolarHBondContact O-N 3.24Å; K304-I307 PolarHBondContact O-N 2.74Å; K304-E308 WeakPolarHBondContact CE-OE1 3.38Å; K304-E308 WeakPolarHBondContact O-CB 3.33Å; K304-E308 WeakPolarHBondContact O-CG 3.49Å; K304-E308 PolarHBondContact O-N 3.18Å
305	G	86.4	Confident	83.8	Confident	13 Å²	13	63.2 Å²	63.2	13%	0.134	34%	0.342	C	S	.	.	H	α-helix	trans	-62.4	-36.3	177.1	0	0	0	0	0	113	E301 F302 G309	E301-G305 PolarHBondContact O-N 3.11Å; F302-G305 PolarHBondContact O-N 3.23Å; G305-G309 PolarHBondContact O-N 3.37Å
306	F	84.8	Confident	83.9	Confident	8 Å²	8	64 Å²	64	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-46.8	174.8	-176.2	-92.4	0	0	0	112.2	L222 V280 F302 V303 K304 G309 R310 V315 F318 L319	L222-F306 HydrophobicContact CD1-CE2 4.24Å; L222-F306 HydrophobicContact CD1-CZ 4.48Å; V280-F306 HydrophobicContact CB-CE1 4.47Å; V280-F306 HydrophobicContact CG1-CE1 3.98Å; V280-F306 HydrophobicContact CG2-CD1 3.87Å; V280-F306 HydrophobicContact CG2-CE1 3.58Å; F302-F306 WeakPolarHBondContact O-CB 3.45Å; F302-F306 PolarHBondContact O-N 2.84Å; V303-F306 WeakPolarHBondContact O-CB 3.33Å; V303-F306 PolarHBondContact O-N 3.35Å; K304-F306 VanDerWaalsContact C-N 3.31Å; K304-F306 PolarHBondContact O-N 3.24Å; F306-G309 PolarHBondContact O-N 3.22Å; F306-R310 WeakPolarHBondContact O-CB 3.46Å; F306-R310 PolarHBondContact O-N 2.86Å; F306-V315 HydrophobicContact CD2-CG1 4.08Å; F306-V315 HydrophobicContact CE2-CG1 3.66Å; F306-V315 HydrophobicContact CZ-CG1 4.33Å; F306-F318 HydrophobicContact CB-CD1 4.38Å; F306-F318 HydrophobicContact CB-CE1 3.95Å; F306-L319 HydrophobicContact CD2-CD2 4.12Å; F306-L319 HydrophobicContact CE2-CD2 4.48Å
307	I	81.7	Confident	84	Confident	16 Å²	16	67.9 Å²	67.9	8%	0.082	36%	0.363	C	S	.	.	H	α-helix	trans	-67	-44.6	179.7	-68.2	172.4	0	0	0	111.3	V280 W286 V303 K304 R310 N311	V280-I307 HydrophobicContact CG2-CG1 4.45Å; W286-I307 HydrophobicContact CD2-CD1 3.97Å; W286-I307 HydrophobicContact CE3-CD1 3.14Å; W286-I307 HydrophobicContact CH2-CD1 4.03Å; W286-I307 HydrophobicContact CZ3-CD1 3.2Å; V303-I307 HydrophobicContact CG1-CD1 4.17Å; V303-I307 WeakPolarHBondContact O-CG1 3.48Å; V303-I307 PolarHBondContact O-N 3.39Å; K304-I307 PolarHBondContact O-N 2.74Å; I307-R310 PolarHBondContact O-N 2.76Å; I307-N311 PolarHBondContact O-N 2.93Å; I307-N311 PolarHBondContact O-ND2 2.92Å
308	E	84.8	Confident	84.2	Confident	111 Å²	111	67.3 Å²	67.3	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-63	-43.5	176.6	-72.3	176.7	-178.8	0	0	111.5	K304 R310 N311 A312	K304-E308 WeakPolarHBondContact CE-OE1 3.38Å; K304-E308 WeakPolarHBondContact O-CB 3.33Å; K304-E308 WeakPolarHBondContact O-CG 3.49Å; K304-E308 PolarHBondContact O-N 3.18Å; E308-R310 VanDerWaalsContact C-N 3.32Å; E308-R310 PolarHBondContact O-N 2.8Å; E308-N311 PolarHBondContact O-N 2.85Å; E308-A312 WeakPolarHBondContact O-CB 3.38Å; E308-A312 PolarHBondContact O-N 3.48Å
309	G	84	Confident	84.2	Confident	9 Å²	9	67.1 Å²	67.1	9%	0.093	35%	0.346	C	S	.	.	H	α-helix	trans	-57.7	-44	173.5	0	0	0	0	0	111.7	G305 F306 A312 G313 R314 V315	G305-G309 PolarHBondContact O-N 3.37Å; F306-G309 PolarHBondContact O-N 3.22Å; G309-A312 CarbonylContact O-C 3.52Å; G309-A312 PolarHBondContact O-N 2.98Å; G309-G313 PolarHBondContact O-N 3.41Å; G309-G313 VanDerWaalsContact O-N 3.09Å; G309-R314 CarbonylContact O-C 3.55Å; G309-R314 WeakPolarHBondContact O-CA 3.28Å; G309-R314 PolarHBondContact O-N 3.3Å; G309-V315 PolarHBondContact O-N 3.12Å
310	R	80.7	Confident	84.3	Confident	71 Å²	71	68.3 Å²	68.3	27%	0.268	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-49.2	178.3	-167.8	-177.1	-173.3	-127.9	6.8	113.2	E218 V280 F306 I307 E308 A312 G313 V315	E218-R310 IonicContact OE1-CZ 2.75Å; E218-R310 IonicContact OE1-NE 2.75Å; E218-R310 PolarHBondContact OE1-NE 3.03Å; E218-R310 VanDerWaalsContact OE1-NE 3.16Å; E218-R310 IonicContact OE1-NH2 3.59Å; E218-R310 IonicContact OE2-CZ 3.78Å; E218-R310 IonicContact OE2-NE 3.6Å; E218-R310 IonicContact OE2-NH2 3.44Å; E218-R310 PolarHBondContact OE2-NH2 3.27Å; V280-R310 VanDerWaalsContact CG1-CZ 3.42Å; V280-R310 VanDerWaalsContact CG1-NH1 3.28Å; V280-R310 PolarHBondContact O-NH1 3.44Å; F306-R310 WeakPolarHBondContact O-CB 3.46Å; F306-R310 PolarHBondContact O-N 2.86Å; I307-R310 PolarHBondContact O-N 2.76Å; E308-R310 VanDerWaalsContact C-N 3.32Å; E308-R310 PolarHBondContact O-N 2.8Å; R310-A312 PolarHBondContact O-N 3.36Å; R310-G313 PolarHBondContact O-N 3.02Å; R310-V315 HydrophobicContact CB-CG2 3.57Å; R310-V315 HydrophobicContact CG-CG2 3.96Å
311	N	82.1	Confident	84.5	Confident	106 Å²	106	71.6 Å²	71.6	57%	0.567	37%	0.37	S	S	*	.	H	α-helix	trans	-61.5	-28.9	178.4	-69.6	-21.6	0	0	0	112.1	I307 E308	I307-N311 PolarHBondContact O-N 2.93Å; I307-N311 PolarHBondContact O-ND2 2.92Å; E308-N311 PolarHBondContact O-N 2.85Å
312	A	85.5	Confident	84.6	Confident	49 Å²	49	67 Å²	67	41%	0.405	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	0.7	175.8	0	0	0	0	0	114.5	E308 G309 R310 R314	E308-A312 WeakPolarHBondContact O-CB 3.38Å; E308-A312 PolarHBondContact O-N 3.48Å; G309-A312 CarbonylContact O-C 3.52Å; G309-A312 PolarHBondContact O-N 2.98Å; R310-A312 PolarHBondContact O-N 3.36Å; A312-R314 VanDerWaalsContact C-N 3.28Å; A312-R314 PolarHBondContact O-N 3.26Å
313	G	83.5	Confident	84.6	Confident	70 Å²	70	71.8 Å²	71.8	72%	0.722	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	22.7	-176	0	0	0	0	0	114.9	G309 R310	G309-G313 PolarHBondContact O-N 3.41Å; G309-G313 VanDerWaalsContact O-N 3.09Å; R310-G313 PolarHBondContact O-N 3.02Å
314	R	86.5	Confident	84.8	Confident	154 Å²	154	74.8 Å²	74.8	58%	0.581	40%	0.399	S	S	*	.			trans	-124.7	35.7	-174.4	-66.9	-177.6	-68.8	175.3	0.1	112.9	G309 A312 E316 D317 F318	G309-R314 CarbonylContact O-C 3.55Å; G309-R314 WeakPolarHBondContact O-CA 3.28Å; G309-R314 PolarHBondContact O-N 3.3Å; A312-R314 VanDerWaalsContact C-N 3.28Å; A312-R314 PolarHBondContact O-N 3.26Å; R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E316 PolarHBondContact O-N 3.4Å; R314-D317 HydrophobicContact CB-CB 4.34Å; R314-D317 PolarHBondContact O-N 3.28Å; R314-F318 PolarHBondContact O-N 3.33Å
315	V	83.3	Confident	85	Confident	22 Å²	22	72.8 Å²	72.8	13%	0.133	40%	0.396	C	S	.	.	H	α-helix	trans	-60	-44.2	178.3	-177.6	0	0	0	0	110.9	F306 G309 R310 D317 F318 L319	F306-V315 HydrophobicContact CD2-CG1 4.08Å; F306-V315 HydrophobicContact CE2-CG1 3.66Å; F306-V315 HydrophobicContact CZ-CG1 4.33Å; G309-V315 PolarHBondContact O-N 3.12Å; R310-V315 HydrophobicContact CB-CG2 3.57Å; R310-V315 HydrophobicContact CG-CG2 3.96Å; V315-D317 PolarHBondContact O-N 3.02Å; V315-F318 WeakPolarHBondContact O-CB 3.38Å; V315-F318 PolarHBondContact O-N 3.16Å; V315-L319 HydrophobicContact CG1-CD1 3.76Å; V315-L319 HydrophobicContact CG1-CG 4.04Å; V315-L319 WeakPolarHBondContact O-CG 3.38Å; V315-L319 PolarHBondContact O-N 2.96Å
316	E	82.4	Confident	85.1	Confident	147 Å²	147	72.6 Å²	72.6	69%	0.687	39%	0.392	S	S	*	.	H	α-helix	trans	-62.1	-45.1	-177.8	-64.9	-177.2	171.5	0	0	111.4	R314 F318 L319 V320	R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E316 PolarHBondContact O-N 3.4Å; E316-F318 VanDerWaalsContact C-N 3.26Å; E316-F318 PolarHBondContact O-N 3.36Å; E316-L319 PolarHBondContact O-N 3.46Å; E316-V320 VanDerWaalsContact O-CG2 3.3Å; E316-V320 WeakPolarHBondContact O-CG2 3.35Å; E316-V320 PolarHBondContact O-N 2.88Å
317	D	85.8	Confident	85.3	Confident	97 Å²	97	76.7 Å²	76.7	52%	0.519	41%	0.414	S	S	.	.	H	α-helix	trans	-59.3	-37.2	175.7	-65.3	-21	0	0	0	112.7	R314 V315	R314-D317 HydrophobicContact CB-CB 4.34Å; R314-D317 PolarHBondContact O-N 3.28Å; V315-D317 PolarHBondContact O-N 3.02Å
318	F	88	Confident	85.5	Confident	34 Å²	34	79 Å²	79	15%	0.149	43%	0.427	C	S	.	.	H	α-helix	trans	-67.8	-49.3	175.9	169.4	-102.4	0	0	0	110.7	F302 F306 R314 V315 E316 V320 K321 Q322	F302-F318 HydrophobicContact CD2-CE1 4.16Å; F302-F318 HydrophobicContact CD2-CZ 4.15Å; F302-F318 HydrophobicContact CE2-CE1 4.11Å; F302-F318 VanDerWaalsContact O-CZ 3.25Å; F302-F318 WeakPolarHBondContact O-CZ 3.48Å; F306-F318 HydrophobicContact CB-CD1 4.38Å; F306-F318 HydrophobicContact CB-CE1 3.95Å; R314-F318 PolarHBondContact O-N 3.33Å; V315-F318 WeakPolarHBondContact O-CB 3.38Å; V315-F318 PolarHBondContact O-N 3.16Å; E316-F318 VanDerWaalsContact C-N 3.26Å; E316-F318 PolarHBondContact O-N 3.36Å; F318-V320 PolarHBondContact O-N 3.27Å; F318-K321 PolarHBondContact O-N 3.23Å; F318-Q322 HydrophobicContact CE1-CG 4.1Å; F318-Q322 HydrophobicContact CE2-CG 4.48Å; F318-Q322 VanDerWaalsContact CE2-NE2 3.3Å; F318-Q322 HydrophobicContact CZ-CG 4.05Å
319	L	85.2	Confident	85.8	Confident	7 Å²	7	78.3 Å²	78.3	4%	0.037	43%	0.427	C	S	.	.	H	α-helix	trans	-65.3	-35.6	-176.8	-68.8	-178.7	0	0	0	112.7	C221 Y225 F302 F306 V315 E316 K321 Q322	C221-L319 HydrophobicContact CB-CD1 3.72Å; Y225-L319 HydrophobicContact CD2-CD2 3.77Å; Y225-L319 HydrophobicContact CE2-CB 3.88Å; Y225-L319 HydrophobicContact CE2-CD1 4.12Å; Y225-L319 HydrophobicContact CE2-CD2 3.67Å; Y225-L319 HydrophobicContact CE2-CG 4.09Å; Y225-L319 HydrophobicContact CG-CD2 4.44Å; Y225-L319 PolarHBondContact OH-O 3.36Å; F302-L319 HydrophobicContact CE2-CD2 4.15Å; F302-L319 HydrophobicContact CZ-CD2 4.06Å; F306-L319 HydrophobicContact CD2-CD2 4.12Å; F306-L319 HydrophobicContact CE2-CD2 4.48Å; V315-L319 HydrophobicContact CG1-CD1 3.76Å; V315-L319 HydrophobicContact CG1-CG 4.04Å; V315-L319 WeakPolarHBondContact O-CG 3.38Å; V315-L319 PolarHBondContact O-N 2.96Å; E316-L319 PolarHBondContact O-N 3.46Å; L319-K321 PolarHBondContact O-N 3.23Å; L319-K321 VanDerWaalsContact O-N 3.17Å; L319-Q322 WeakPolarHBondContact O-CB 3.46Å; L319-Q322 PolarHBondContact O-N 3.11Å
320	V	84.4	Confident	86	Confident	122 Å²	122	79.3 Å²	79.3	74%	0.739	43%	0.431	S	S	*	.	H	α-helix	trans	-60.2	-26.3	176.3	169.7	0	0	0	0	112.6	E316 F318 Q322	E316-V320 VanDerWaalsContact O-CG2 3.3Å; E316-V320 WeakPolarHBondContact O-CG2 3.35Å; E316-V320 PolarHBondContact O-N 2.88Å; F318-V320 PolarHBondContact O-N 3.27Å; V320-Q322 VanDerWaalsContact C-N 3.32Å
321	K	86.7	Confident	86.4	Confident	173 Å²	173	76.2 Å²	76.2	75%	0.752	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.5	176.9	-63.3	174.6	-175.5	176.5	0	113.3	F318 L319	F318-K321 PolarHBondContact O-N 3.23Å; L319-K321 PolarHBondContact O-N 3.23Å; L319-K321 VanDerWaalsContact O-N 3.17Å
322	Q	87.3	Confident	86.7	Confident	63 Å²	63	77.3 Å²	77.3	29%	0.294	42%	0.421	S	S	.	.	S	Bend	trans	-93.2	149.3	-179.1	-56.7	-56.6	-41.1	0	0	110.5	Y225 F302 F318 L319 V320 P324	Y225-Q322 HydrophobicContact CD1-CB 3.7Å; Y225-Q322 HydrophobicContact CE1-CB 3.43Å; Y225-Q322 VanDerWaalsContact CE1-CB 3.43Å; F302-Q322 HydrophobicContact CD2-CG 4.02Å; F302-Q322 HydrophobicContact CE2-CB 4.36Å; F302-Q322 HydrophobicContact CE2-CG 3.94Å; F318-Q322 HydrophobicContact CE1-CG 4.1Å; F318-Q322 HydrophobicContact CE2-CG 4.48Å; F318-Q322 VanDerWaalsContact CE2-NE2 3.3Å; F318-Q322 HydrophobicContact CZ-CG 4.05Å; L319-Q322 WeakPolarHBondContact O-CB 3.46Å; L319-Q322 PolarHBondContact O-N 3.11Å; V320-Q322 VanDerWaalsContact C-N 3.32Å; Q322-P324 WeakPolarHBondContact O-CD 3.45Å
323	T	86.3	Confident	86.9	Confident	122 Å²	122	77.3 Å²	77.3	75%	0.748	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-82.6	122.3	172.7	-55.1	0	0	0	0	109.5
324	P	88.2	Confident	87.1	Confident	66 Å²	66	74 Å²	74	43%	0.429	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-61.2	137.6	173.2	-22	33.8	0	0	0	111.4	K224 Y225 Q322	K224-P324 CarbonylContact O-C 3.54Å; K224-P324 WeakPolarHBondContact O-CA 3.25Å; Y225-P324 HydrophobicContact CE1-CB 4.45Å; Y225-P324 HydrophobicContact CE1-CG 4.16Å; Q322-P324 WeakPolarHBondContact O-CD 3.45Å
325	T	88.4	Confident	87.2	Confident	69 Å²	69	68.8 Å²	68.8	42%	0.423	36%	0.361	S	S	.	.	S	Bend	trans	-94.9	-23.6	175.3	53.1	0	0	0	0	112.2	K224 Y225 W226	K224-T325 PolarHBondContact O-N 3.44Å; K224-T325 PolarHBondContact O-OG1 2.64Å; Y225-T325 WeakPolarHBondContact CA-OG1 3.28Å; W226-T325 PolarHBondContact N-OG1 3.36Å; W226-T325 VanDerWaalsContact N-OG1 3.17Å; W226-T325 WeakPolarHBondContact O-CB 3.3Å; W226-T325 PolarHBondContact O-OG1 3.46Å
326	V	88.2	Confident	87.4	Confident	8 Å²	8	72.6 Å²	72.6	5%	0.048	38%	0.376	C	S	.	.	S	Bend	trans	-115.5	139.5	-176.3	-173.6	0	0	0	0	110.1	M223 K224 W226 K229 I232 N328 V330 I331	M223-V326 VanDerWaalsContact O-CG2 3.3Å; M223-V326 WeakPolarHBondContact O-CG2 3.43Å; K224-V326 PolarHBondContact O-N 2.87Å; K224-V326 VanDerWaalsContact O-N 3.1Å; W226-V326 HydrophobicContact CB-CG2 4.21Å; K229-V326 HydrophobicContact CB-CG2 4.3Å; I232-V326 HydrophobicContact CB-CG1 4.26Å; I232-V326 HydrophobicContact CB-CG2 4.42Å; I232-V326 HydrophobicContact CG1-CG2 4.04Å; I232-V326 HydrophobicContact CG2-CG1 3.93Å; V326-N328 PolarHBondContact O-N 3.06Å; V326-V330 HydrophobicContact CG1-CB 4.28Å; V326-V330 HydrophobicContact CG1-CG1 4.49Å; V326-I331 HydrophobicContact CB-CD1 4.42Å; V326-I331 HydrophobicContact CG1-CD1 3.82Å; V326-I331 HydrophobicContact CG1-CG1 4.23Å
327	N	87.5	Confident	87.4	Confident	94 Å²	94	65.7 Å²	65.7	50%	0.503	34%	0.344	S	S	.	.			trans	-63.5	133.4	175.6	-174.7	4.3	0	0	0	110.5	D329 V330	N327-D329 PolarHBondContact ND2-OD2 3.47Å; N327-D329 PolarHBondContact O-N 2.94Å; N327-D329 PolarHBondContact OD1-N 3.44Å; N327-V330 HydrophobicContact CB-CG2 4.32Å; N327-V330 PolarHBondContact O-N 3.48Å; N327-V330 VanDerWaalsContact O-N 3.11Å
328	N	87.6	Confident	87.1	Confident	65 Å²	65	61.1 Å²	61.1	35%	0.348	32%	0.319	S	S	.	.	H	α-helix	trans	-54.9	-36.3	176.6	-76.7	-30.8	0	0	0	112.3	K224 V326 V330 I331 E332	K224-N328 WeakPolarHBondContact CD-OD1 3.4Å; K224-N328 WeakPolarHBondContact CE-OD1 3.34Å; K224-N328 PolarHBondContact NZ-OD1 3.39Å; V326-N328 PolarHBondContact O-N 3.06Å; N328-V330 PolarHBondContact O-N 3.19Å; N328-I331 PolarHBondContact O-N 3.31Å; N328-E332 WeakPolarHBondContact O-CG 3.39Å; N328-E332 PolarHBondContact O-N 2.74Å
329	D	89.2	Confident	86.7	Confident	97 Å²	97	63 Å²	63	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-58.1	-37.1	179.7	-56.3	-30.2	0	0	0	112.3	N327 E333	N327-D329 PolarHBondContact ND2-OD2 3.47Å; N327-D329 PolarHBondContact O-N 2.94Å; N327-D329 PolarHBondContact OD1-N 3.44Å; D329-E333 WeakPolarHBondContact O-CB 3.39Å; D329-E333 WeakPolarHBondContact O-CG 3.39Å; D329-E333 PolarHBondContact O-N 2.95Å
330	V	89.5	Confident	86.2	Confident	29 Å²	29	67.5 Å²	67.5	18%	0.176	36%	0.356	C	S	.	.	H	α-helix	trans	-68.3	-41.5	178.8	179.4	0	0	0	0	110	I232 L236 V326 N327 N328 E333 I334	I232-V330 HydrophobicContact CG2-CG1 4Å; L236-V330 HydrophobicContact CB-CG1 4.48Å; L236-V330 HydrophobicContact CD2-CG1 4.04Å; V326-V330 HydrophobicContact CG1-CB 4.28Å; V326-V330 HydrophobicContact CG1-CG1 4.49Å; N327-V330 HydrophobicContact CB-CG2 4.32Å; N327-V330 PolarHBondContact O-N 3.48Å; N327-V330 VanDerWaalsContact O-N 3.11Å; N328-V330 PolarHBondContact O-N 3.19Å; V330-E333 PolarHBondContact O-N 3.17Å; V330-I334 HydrophobicContact CG1-CD1 4.25Å; V330-I334 WeakPolarHBondContact O-CG1 3.35Å; V330-I334 PolarHBondContact O-N 3.25Å
331	I	88.1	Confident	85.3	Confident	6 Å²	6	63.1 Å²	63.1	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-45.7	178.8	-55.3	-50.7	0	0	0	110.7	M223 K224 I232 V326 N328 E333 I334 M335	M223-I331 HydrophobicContact CB-CD1 3.54Å; M223-I331 HydrophobicContact CB-CG1 4.47Å; M223-I331 HydrophobicContact CE-CD1 4.12Å; K224-I331 HydrophobicContact CG-CG1 4.11Å; I232-I331 HydrophobicContact CG2-CD1 3.73Å; V326-I331 HydrophobicContact CB-CD1 4.42Å; V326-I331 HydrophobicContact CG1-CD1 3.82Å; V326-I331 HydrophobicContact CG1-CG1 4.23Å; N328-I331 PolarHBondContact O-N 3.31Å; I331-E333 VanDerWaalsContact C-N 3.3Å; I331-E333 PolarHBondContact O-N 2.83Å; I331-I334 PolarHBondContact O-N 3.17Å; I331-I334 VanDerWaalsContact O-N 3.14Å; I331-M335 HydrophobicContact CG2-CG 4.45Å; I331-M335 WeakPolarHBondContact O-CG 3.25Å; I331-M335 PolarHBondContact O-N 2.63Å
332	E	89.4	Confident	83.8	Confident	129 Å²	129	62.5 Å²	62.5	60%	0.603	34%	0.338	S	S	*	.	H	α-helix	trans	-59.4	-41.7	177.4	-72.4	-177.6	-173	0	0	111.8	N328 M335 K336	N328-E332 WeakPolarHBondContact O-CG 3.39Å; N328-E332 PolarHBondContact O-N 2.74Å; E332-M335 PolarHBondContact O-N 3.25Å; E332-K336 WeakPolarHBondContact O-CB 3.5Å; E332-K336 PolarHBondContact O-N 3.34Å
333	E	90	Very high	83.6	Confident	50 Å²	50	62.5 Å²	62.5	23%	0.234	34%	0.341	C	S	.	.	H	α-helix	trans	-65.6	-39.8	174.9	-78	-72	129.4	0	0	112	L236 R240 D329 V330 I331 M335 K336 E337	L236-E333 HydrophobicContact CD1-CB 3.93Å; L236-E333 HydrophobicContact CD2-CB 3.94Å; R240-E333 IonicContact CZ-OE2 2.86Å; R240-E333 IonicContact NH2-OE2 2.76Å; R240-E333 PolarHBondContact NH2-OE2 3.1Å; D329-E333 WeakPolarHBondContact O-CB 3.39Å; D329-E333 WeakPolarHBondContact O-CG 3.39Å; D329-E333 PolarHBondContact O-N 2.95Å; V330-E333 PolarHBondContact O-N 3.17Å; I331-E333 VanDerWaalsContact C-N 3.3Å; I331-E333 PolarHBondContact O-N 2.83Å; E333-M335 PolarHBondContact O-N 2.9Å; E333-K336 WeakPolarHBondContact O-CB 2.93Å; E333-K336 PolarHBondContact O-N 2.89Å; E333-K336 WeakPolarHBondContact OE1-CD 3.32Å; E333-K336 IonicContact OE1-NZ 2.64Å; E333-K336 PolarHBondContact OE1-NZ 3.41Å; E333-E337 WeakPolarHBondContact O-CG 3.47Å; E333-E337 PolarHBondContact O-N 2.91Å
334	I	88.2	Confident	83.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-48	173	-69.5	168.9	0	0	0	110.7	M223 I232 V235 L236 L239 V330 I331 K336 E337 V338	M223-I334 HydrophobicContact CE-CD1 3.44Å; M223-I334 VanDerWaalsContact CE-CD1 3.44Å; M223-I334 HydrophobicContact CE-CG2 4.07Å; I232-I334 HydrophobicContact CG2-CD1 3.57Å; V235-I334 HydrophobicContact CG1-CD1 4.32Å; L236-I334 HydrophobicContact CB-CD1 4.08Å; L236-I334 HydrophobicContact CB-CG1 3.66Å; L236-I334 HydrophobicContact CD1-CG1 3.84Å; L236-I334 HydrophobicContact CG-CG1 4.23Å; L239-I334 HydrophobicContact CD1-CG1 4.48Å; L239-I334 HydrophobicContact CD1-CG2 3.74Å; V330-I334 HydrophobicContact CG1-CD1 4.25Å; V330-I334 WeakPolarHBondContact O-CG1 3.35Å; V330-I334 PolarHBondContact O-N 3.25Å; I331-I334 PolarHBondContact O-N 3.17Å; I331-I334 VanDerWaalsContact O-N 3.14Å; I334-K336 VanDerWaalsContact C-N 3.27Å; I334-K336 PolarHBondContact O-N 3.42Å; I334-E337 PolarHBondContact O-N 3.49Å; I334-E337 VanDerWaalsContact O-N 3.11Å; I334-V338 HydrophobicContact CG2-CG2 4.09Å; I334-V338 VanDerWaalsContact O-CG2 3.26Å; I334-V338 WeakPolarHBondContact O-CG2 3.38Å; I334-V338 PolarHBondContact O-N 3.23Å
335	M	87.3	Confident	83.2	Confident	44 Å²	44	59 Å²	59	22%	0.217	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-38.8	179.8	-66.1	-53.8	-65.8	0	0	111.9	L214 I331 E332 E333 S339	L214-M335 WeakPolarHBondContact O-CE 3.12Å; I331-M335 HydrophobicContact CG2-CG 4.45Å; I331-M335 WeakPolarHBondContact O-CG 3.25Å; I331-M335 PolarHBondContact O-N 2.63Å; E332-M335 PolarHBondContact O-N 3.25Å; E333-M335 PolarHBondContact O-N 2.9Å; M335-S339 VanDerWaalsContact O-CB 3.32Å; M335-S339 WeakPolarHBondContact O-CB 3.12Å; M335-S339 PolarHBondContact O-N 3.31Å; M335-S339 PolarHBondContact O-OG 3.35Å
336	K	87.3	Confident	82.9	Confident	102 Å²	102	58.4 Å²	58.4	44%	0.443	31%	0.307	S	S	.	.	H	α-helix	trans	-65.9	-39.2	174.9	179.4	-178.3	173.6	-172.6	0	112.3	E332 E333 I334 K340	E332-K336 WeakPolarHBondContact O-CB 3.5Å; E332-K336 PolarHBondContact O-N 3.34Å; E333-K336 WeakPolarHBondContact O-CB 2.93Å; E333-K336 PolarHBondContact O-N 2.89Å; E333-K336 WeakPolarHBondContact OE1-CD 3.32Å; E333-K336 IonicContact OE1-NZ 2.64Å; E333-K336 PolarHBondContact OE1-NZ 3.41Å; I334-K336 VanDerWaalsContact C-N 3.27Å; I334-K336 PolarHBondContact O-N 3.42Å; K336-K340 WeakPolarHBondContact O-CG 3.43Å; K336-K340 PolarHBondContact O-N 3.02Å
337	E	82.7	Confident	82.6	Confident	3 Å²	3	61.6 Å²	61.6	1%	0.014	32%	0.323	C	S	.	.	H	α-helix	trans	-66.2	-47.6	174.4	-68.3	-47.6	134.6	0	0	111.7	L236 L239 R240 R243 E333 I334 S339 K340 M341	L236-E337 HydrophobicContact CD1-CG 4.06Å; L239-E337 HydrophobicContact CB-CB 4.24Å; R240-E337 HydrophobicContact CG-CG 4Å; R243-E337 VanDerWaalsContact CD-OE2 3.28Å; R243-E337 WeakPolarHBondContact CD-OE2 3.06Å; R243-E337 IonicContact CZ-OE1 3.4Å; R243-E337 IonicContact CZ-OE2 3.6Å; R243-E337 IonicContact NE-OE2 3.89Å; R243-E337 PolarHBondContact NE-OE2 3.08Å; R243-E337 IonicContact NH1-OE1 3.19Å; R243-E337 PolarHBondContact NH1-OE1 3.2Å; R243-E337 IonicContact NH1-OE2 3.16Å; R243-E337 PolarHBondContact NH1-OE2 3.39Å; E333-E337 WeakPolarHBondContact O-CG 3.47Å; E333-E337 PolarHBondContact O-N 2.91Å; I334-E337 PolarHBondContact O-N 3.49Å; I334-E337 VanDerWaalsContact O-N 3.11Å; E337-S339 VanDerWaalsContact C-N 3.27Å; E337-S339 PolarHBondContact O-N 3Å; E337-K340 PolarHBondContact O-N 3.41Å; E337-K340 VanDerWaalsContact O-N 3.11Å; E337-K340 IonicContact OE1-NZ 3.57Å; E337-K340 PolarHBondContact OE1-NZ 3.06Å; E337-M341 WeakPolarHBondContact O-CG 3.25Å
338	V	80.4	Confident	82.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-32.4	179.5	173.6	0	0	0	0	112.3	I211 L214 R215 L239 I334 K340 M341	I211-V338 HydrophobicContact CG2-CG1 4.01Å; L214-V338 HydrophobicContact CB-CG1 3.94Å; L214-V338 HydrophobicContact CB-CG2 3.92Å; L214-V338 HydrophobicContact CD1-CG2 3.78Å; L214-V338 HydrophobicContact CG-CG2 4.45Å; R215-V338 HydrophobicContact CG-CG1 3.62Å; R215-V338 PolarHBondContact NH2-O 3.32Å; L239-V338 HydrophobicContact CD1-CG2 3.98Å; I334-V338 HydrophobicContact CG2-CG2 4.09Å; I334-V338 VanDerWaalsContact O-CG2 3.26Å; I334-V338 WeakPolarHBondContact O-CG2 3.38Å; I334-V338 PolarHBondContact O-N 3.23Å; V338-K340 VanDerWaalsContact C-N 3.31Å; V338-M341 PolarHBondContact O-N 2.61Å
339	S	79	Confident	81.8	Confident	73 Å²	73	59 Å²	59	51%	0.51	31%	0.308	S	S	.	.	H	α-helix	trans	-71	-24.9	177.1	-60.5	0	0	0	0	113.3	M335 E337	M335-S339 VanDerWaalsContact O-CB 3.32Å; M335-S339 WeakPolarHBondContact O-CB 3.12Å; M335-S339 PolarHBondContact O-N 3.31Å; M335-S339 PolarHBondContact O-OG 3.35Å; E337-S339 VanDerWaalsContact C-N 3.27Å; E337-S339 PolarHBondContact O-N 3Å
340	K	74.1	Confident	81.3	Confident	103 Å²	103	56.1 Å²	56.1	45%	0.448	29%	0.292	S	S	.	.	H	α-helix	trans	-82.5	-15.5	177.4	-68.5	166.1	-178.3	171.2	0	113.3	K336 E337 V338 V342	K336-K340 WeakPolarHBondContact O-CG 3.43Å; K336-K340 PolarHBondContact O-N 3.02Å; E337-K340 PolarHBondContact O-N 3.41Å; E337-K340 VanDerWaalsContact O-N 3.11Å; E337-K340 IonicContact OE1-NZ 3.57Å; E337-K340 PolarHBondContact OE1-NZ 3.06Å; V338-K340 VanDerWaalsContact C-N 3.31Å; K340-V342 PolarHBondContact O-N 2.77Å; K340-V342 VanDerWaalsContact O-N 3.17Å
341	M	66.4	Low	80.6	Confident	29 Å²	29	58.3 Å²	58.3	14%	0.143	30%	0.302	C	S	.	.			trans	-86.1	41	-178.7	-61.5	177.1	-179.3	0	0	111.7	T207 I211 R215 L239 F242 R243 E337 V338	T207-M341 VanDerWaalsContact CG2-O 3.28Å; T207-M341 WeakPolarHBondContact CG2-O 3.4Å; I211-M341 HydrophobicContact CD1-CB 4.14Å; I211-M341 HydrophobicContact CD1-SD 4.31Å; R215-M341 PolarHBondContact NH2-O 3.18Å; L239-M341 HydrophobicContact CB-CE 4.04Å; L239-M341 HydrophobicContact CD2-CE 3.75Å; L239-M341 HydrophobicContact CD2-SD 4.06Å; L239-M341 VanDerWaalsContact O-CE 3.3Å; L239-M341 WeakPolarHBondContact O-CE 3.42Å; F242-M341 HydrophobicContact CD1-CE 3.85Å; F242-M341 HydrophobicContact CD1-SD 4.18Å; F242-M341 HydrophobicContact CE1-SD 4.46Å; R243-M341 HydrophobicContact CB-CE 4.39Å; E337-M341 WeakPolarHBondContact O-CG 3.25Å; V338-M341 PolarHBondContact O-N 2.61Å
342	V	54.1	Low	79.9	Confident	161 Å²	161	63.1 Å²	63.1	98%	0.976	33%	0.326	S	S	*	.			trans	-103.7	0	173.6	-179.2	0	0	0	0	109.3	K340	K340-V342 PolarHBondContact O-N 2.77Å; K340-V342 VanDerWaalsContact O-N 3.17Å

Retrieved 342 of 342 residues in 290.2 ms (Link to these results)

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