A0A5K4F776_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F776, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 281 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.4	Very low	26.8	Very low	247 Å²	247	155.3 Å²	155.3	100%	1.217	81%	0.808	S	S	*	*				0	125.5	0	-86.2	163.3	127.5	0	0	107.5
2	N	26.1	Very low	26.5	Very low	162 Å²	162	149.6 Å²	149.6	87%	0.866	79%	0.791	S	S	*	*			trans	-58.9	132.4	-172.7	-72.3	-37.2	0	0	0	113.3
3	D	33.7	Very low	26.3	Very low	145 Å²	145	154.6 Å²	154.6	78%	0.775	80%	0.802	S	S	*	*			trans	-148.3	93.6	132.9	-129.3	-2.3	0	0	0	107.4
4	K	30.6	Very low	26.2	Very low	155 Å²	155	150.4 Å²	150.4	67%	0.674	79%	0.792	S	S	*	*				65.8	111.5	99.1	-76	-174.9	-177.3	164.4	0	114.3
5	R	26.9	Very low	26.1	Very low	214 Å²	214	146.8 Å²	146.8	81%	0.808	79%	0.785	S	S	*	*			trans	75	99.2	135.2	-66.6	-178.8	-178.9	-174.2	-1.2	115.3
6	S	24.6	Very low	26.1	Very low	113 Å²	113	149.2 Å²	149.2	79%	0.79	79%	0.79	S	S	*	*				61.8	112.4	78.3	76.6	0	0	0	0	112.1
7	G	26.1	Very low	26.1	Very low	73 Å²	73	151.9 Å²	151.9	75%	0.753	79%	0.788	S	S	*	*			trans	165.9	68.4	169.2	0	0	0	0	0	111.9	L9	G7-L9 PolarHBondContact O-N 3.11Å
8	H	23	Very low	26.2	Very low	173 Å²	173	148.6 Å²	148.6	80%	0.801	78%	0.776	S	S	*	*			trans	-43.2	111.3	153.5	-92.8	-69.9	0	0	0	109.3
9	L	23.5	Very low	26.4	Very low	143 Å²	143	148.5 Å²	148.5	75%	0.749	78%	0.776	S	S	*	*			trans	-124	86.8	153.2	-134.1	83.6	0	0	0	106.7	G7 I11	G7-L9 PolarHBondContact O-N 3.11Å; L9-I11 HydrophobicContact CD2-CD1 3.41Å; L9-I11 VanDerWaalsContact CD2-CD1 3.41Å; L9-I11 HydrophobicContact CD2-CG1 3.69Å; L9-I11 HydrophobicContact CG-CD1 4.3Å; L9-I11 HydrophobicContact CG-CG1 4.03Å; L9-I11 PolarHBondContact O-N 2.81Å
10	I	23.4	Very low	26.5	Very low	148 Å²	148	144.5 Å²	144.5	76%	0.759	77%	0.765	S	S	*	*			trans	-66.1	89.4	158	-61.3	171.7	0	0	0	104.7
11	I	25	Very low	26.7	Very low	135 Å²	135	141.7 Å²	141.7	69%	0.692	75%	0.751	S	S	*	*			trans	-95.1	111.9	158.3	-65.2	-176.1	0	0	0	106	L9	L9-I11 HydrophobicContact CD2-CD1 3.41Å; L9-I11 VanDerWaalsContact CD2-CD1 3.41Å; L9-I11 HydrophobicContact CD2-CG1 3.69Å; L9-I11 HydrophobicContact CG-CD1 4.3Å; L9-I11 HydrophobicContact CG-CG1 4.03Å; L9-I11 PolarHBondContact O-N 2.81Å
12	S	23.8	Very low	26.5	Very low	87 Å²	87	135.3 Å²	135.3	61%	0.608	72%	0.722	S	S	*	*			trans	-41.7	142	174	41	0	0	0	0	114.2	S14	S12-S14 PolarHBondContact O-N 2.88Å
13	K	24.1	Very low	26.4	Very low	215 Å²	215	132 Å²	132	94%	0.935	71%	0.71	S	S	*	*	S	Bend	trans	-41.8	96.8	155.6	-75.4	173.6	168.5	177.8	0	111.4
14	S	24.1	Very low	26.3	Very low	95 Å²	95	128.2 Å²	128.2	66%	0.664	69%	0.692	S	S	*	*			trans	-166.1	93	148.4	64.9	0	0	0	0	109.9	S12	S12-S14 PolarHBondContact O-N 2.88Å
15	S	24.9	Very low	25.9	Very low	97 Å²	97	128.1 Å²	128.1	68%	0.678	69%	0.689	S	S	*	*			trans	155.9	55.9	144.3	59.5	0	0	0	0	112.7	Y17	S15-Y17 PolarHBondContact O-N 3.32Å; S15-Y17 VanDerWaalsContact O-N 3.13Å
16	E	26.5	Very low	25.9	Very low	185 Å²	185	123.7 Å²	123.7	86%	0.864	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	17.4	165.9	-112.3	174	-176	0	0	113.5
17	Y	26.2	Very low	25.8	Very low	196 Å²	196	121.9 Å²	121.9	77%	0.769	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	23.9	-174.8	-79.1	-77.8	0	0	0	116.8	S15	S15-Y17 PolarHBondContact O-N 3.32Å; S15-Y17 VanDerWaalsContact O-N 3.13Å
18	T	27.9	Very low	25.9	Very low	92 Å²	92	122.4 Å²	122.4	56%	0.564	65%	0.651	S	S	*	*	S	Bend	trans	-118.3	6.3	-178.5	22.7	0	0	0	0	117.5
19	N	29.6	Very low	25.8	Very low	146 Å²	146	122.1 Å²	122.1	78%	0.781	64%	0.643	S	S	*	*	S	Bend	trans	-113.5	-5.9	171.6	-107.2	-8.4	0	0	0	116.2
20	A	29.2	Very low	25.9	Very low	68 Å²	68	119 Å²	119	56%	0.562	63%	0.633	S	S	*	*	S	Bend	trans	-80	-36.5	169.2	0	0	0	0	0	112	N22 C23 T24	A20-N22 VanDerWaalsContact C-N 3.35Å; A20-N22 PolarHBondContact O-N 3.13Å; A20-C23 PolarHBondContact O-N 2.98Å; A20-T24 PolarHBondContact O-N 3.08Å; A20-T24 PolarHBondContact O-OG1 3.22Å
21	N	28.9	Very low	26	Very low	87 Å²	87	119.7 Å²	119.7	47%	0.465	63%	0.631	S	S	.	*	H	α-helix	trans	-68.1	-27.5	-172.8	-73.9	-15.9	0	0	0	114.4	C23 T24 Y25	N21-C23 VanDerWaalsContact C-N 3.34Å; N21-C23 PolarHBondContact O-N 3.49Å; N21-T24 PolarHBondContact O-N 3Å; N21-Y25 WeakPolarHBondContact O-CD2 3.42Å; N21-Y25 PolarHBondContact O-N 3.02Å; N21-Y25 VanDerWaalsContact O-N 3.09Å
22	N	28.3	Very low	26	Very low	112 Å²	112	117.9 Å²	117.9	60%	0.599	62%	0.622	S	S	*	*	H	α-helix	trans	-70.9	-28.3	176.4	-85.3	-5.7	0	0	0	112.9	A20 I26	A20-N22 VanDerWaalsContact C-N 3.35Å; A20-N22 PolarHBondContact O-N 3.13Å; N22-I26 WeakPolarHBondContact O-CD1 3.29Å; N22-I26 WeakPolarHBondContact O-CG1 3.31Å
23	C	25	Very low	26	Very low	92 Å²	92	118.5 Å²	118.5	62%	0.622	62%	0.618	S	S	*	*	H	α-helix	trans	-78	-35.4	173.8	-80	0	0	0	0	112.1	A20 N21 C27	A20-C23 PolarHBondContact O-N 2.98Å; N21-C23 VanDerWaalsContact C-N 3.34Å; N21-C23 PolarHBondContact O-N 3.49Å; C23-C27 PolarHBondContact O-N 3.3Å; C23-C27 PolarHBondContact O-SG 2.85Å
24	T	30.4	Very low	26.1	Very low	66 Å²	66	111.6 Å²	111.6	41%	0.405	60%	0.595	S	S	.	*	H	α-helix	trans	-72.3	-39	-179.4	-12.7	0	0	0	0	112.5	A20 N21 C27 I28	A20-T24 PolarHBondContact O-N 3.08Å; A20-T24 PolarHBondContact O-OG1 3.22Å; N21-T24 PolarHBondContact O-N 3Å; T24-C27 PolarHBondContact O-N 3.13Å; T24-I28 HydrophobicContact CG2-CD1 4.19Å; T24-I28 VanDerWaalsContact O-CG1 3.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.24Å; T24-I28 PolarHBondContact O-N 3.3Å
25	Y	23	Very low	26.2	Very low	153 Å²	153	110.4 Å²	110.4	60%	0.6	58%	0.584	S	S	*	*	H	α-helix	trans	-68.5	-35.7	-179.9	-92.4	-86.8	0	0	0	113.1	N21 W29	N21-Y25 WeakPolarHBondContact O-CD2 3.42Å; N21-Y25 PolarHBondContact O-N 3.02Å; N21-Y25 VanDerWaalsContact O-N 3.09Å; Y25-W29 PolarHBondContact O-N 3.38Å
26	I	26.5	Very low	26.1	Very low	121 Å²	121	109 Å²	109	62%	0.621	57%	0.573	S	S	*	*	H	α-helix	trans	-67.6	-38.5	174.5	-64.4	172.5	0	0	0	110.5	N22 S30	N22-I26 WeakPolarHBondContact O-CD1 3.29Å; N22-I26 WeakPolarHBondContact O-CG1 3.31Å; I26-S30 PolarHBondContact O-N 3.39Å; I26-S30 PolarHBondContact O-OG 3.39Å
27	C	22.9	Very low	25.7	Very low	75 Å²	75	106.1 Å²	106.1	51%	0.507	56%	0.561	S	S	.	*	H	α-helix	trans	-68.5	-41	177.3	-67	0	0	0	0	112.4	C23 T24 W29 S30 F31	C23-C27 PolarHBondContact O-N 3.3Å; C23-C27 PolarHBondContact O-SG 2.85Å; T24-C27 PolarHBondContact O-N 3.13Å; C27-W29 PolarHBondContact O-N 2.9Å; C27-S30 PolarHBondContact O-N 3.23Å; C27-F31 WeakPolarHBondContact O-CD2 3.13Å; C27-F31 PolarHBondContact O-N 3.11Å
28	I	26.8	Very low	25.7	Very low	84 Å²	84	102.9 Å²	102.9	43%	0.431	56%	0.557	S	S	.	*	H	α-helix	trans	-68.7	-37.8	-177.3	-68.3	165.5	0	0	0	111.8	T24 F31 L32	T24-I28 HydrophobicContact CG2-CD1 4.19Å; T24-I28 VanDerWaalsContact O-CG1 3.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.24Å; T24-I28 PolarHBondContact O-N 3.3Å; I28-F31 PolarHBondContact O-N 2.76Å; I28-L32 HydrophobicContact CG2-CD1 3.62Å; I28-L32 PolarHBondContact O-N 3.26Å
29	W	21.2	Very low	25.4	Very low	168 Å²	168	104.5 Å²	104.5	64%	0.636	56%	0.561	S	S	*	*	H	α-helix	trans	-71.7	-29	177.5	-84.8	79.4	0	0	0	113.5	Y25 C27 F31 L33	Y25-W29 PolarHBondContact O-N 3.38Å; C27-W29 PolarHBondContact O-N 2.9Å; W29-F31 VanDerWaalsContact C-N 3.3Å; W29-F31 PolarHBondContact O-N 3.17Å; W29-L33 HydrophobicContact CE3-CD1 3.56Å; W29-L33 HydrophobicContact CZ3-CD1 3.88Å
30	S	27	Very low	25.2	Very low	76 Å²	76	103.1 Å²	103.1	53%	0.531	55%	0.553	S	S	.	*	H	α-helix	trans	-67.2	-30.4	176.6	-55.1	0	0	0	0	112.8	I26 C27 P34	I26-S30 PolarHBondContact O-N 3.39Å; I26-S30 PolarHBondContact O-OG 3.39Å; C27-S30 PolarHBondContact O-N 3.23Å; S30-P34 WeakPolarHBondContact O-CD 3.24Å
31	F	25.4	Very low	25	Very low	164 Å²	164	105 Å²	105	72%	0.719	55%	0.552	S	S	*	*	H	α-helix	trans	-91.1	-29.1	-179.3	-82.6	-80.4	0	0	0	114.1	C27 I28 W29 T35	C27-F31 WeakPolarHBondContact O-CD2 3.13Å; C27-F31 PolarHBondContact O-N 3.11Å; I28-F31 PolarHBondContact O-N 2.76Å; W29-F31 VanDerWaalsContact C-N 3.3Å; W29-F31 PolarHBondContact O-N 3.17Å; F31-T35 PolarHBondContact O-OG1 3.13Å; F31-T35 VanDerWaalsContact O-OG1 3.13Å
32	L	23.7	Very low	24.7	Very low	97 Å²	97	102.7 Å²	102.7	51%	0.508	55%	0.549	S	S	.	.	H	α-helix	trans	-81.4	-32.9	-174.4	-80.3	165.3	0	0	0	114.4	I28 T35 C36	I28-L32 HydrophobicContact CG2-CD1 3.62Å; I28-L32 PolarHBondContact O-N 3.26Å; L32-T35 WeakPolarHBondContact CA-OG1 3.23Å; L32-T35 PolarHBondContact O-N 2.74Å; L32-T35 PolarHBondContact O-OG1 3.38Å; L32-C36 PolarHBondContact O-N 2.74Å; L32-C36 VanDerWaalsContact O-N 3.15Å
33	L	24	Very low	24.7	Very low	100 Å²	100	104.9 Å²	104.9	52%	0.524	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-43.8	-179.1	-109.8	104.9	0	0	0	113.6	W29 M37	W29-L33 HydrophobicContact CE3-CD1 3.56Å; W29-L33 HydrophobicContact CZ3-CD1 3.88Å; L33-M37 PolarHBondContact O-N 2.94Å
34	P	26.6	Very low	24.6	Very low	69 Å²	69	106 Å²	106	45%	0.448	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-40	177.2	-21.7	33.1	0	0	0	112.8	S30 C36 M37 L38	S30-P34 WeakPolarHBondContact O-CD 3.24Å; P34-C36 PolarHBondContact O-N 2.93Å; P34-M37 PolarHBondContact O-N 3.5Å; P34-L38 WeakPolarHBondContact O-CB 3.49Å; P34-L38 PolarHBondContact O-N 3.33Å
35	T	27.2	Very low	24.4	Very low	70 Å²	70	109.4 Å²	109.4	43%	0.429	56%	0.559	S	S	.	*	H	α-helix	trans	-67.5	-36.4	-179.5	41.2	0	0	0	0	113.2	F31 L32 L39	F31-T35 PolarHBondContact O-OG1 3.13Å; F31-T35 VanDerWaalsContact O-OG1 3.13Å; L32-T35 WeakPolarHBondContact CA-OG1 3.23Å; L32-T35 PolarHBondContact O-N 2.74Å; L32-T35 PolarHBondContact O-OG1 3.38Å; T35-L39 WeakPolarHBondContact O-CG 3.16Å; T35-L39 PolarHBondContact O-N 3.21Å; T35-L39 VanDerWaalsContact O-N 3.11Å
36	C	22.7	Very low	24.7	Very low	67 Å²	67	111 Å²	111	45%	0.453	56%	0.564	S	S	.	*	H	α-helix	trans	-72.8	-37.6	177	-72.1	0	0	0	0	112.1	L32 P34 L39 I40	L32-C36 PolarHBondContact O-N 2.74Å; L32-C36 VanDerWaalsContact O-N 3.15Å; P34-C36 PolarHBondContact O-N 2.93Å; C36-L39 PolarHBondContact O-N 2.97Å; C36-I40 VanDerWaalsContact O-CG1 3.31Å; C36-I40 WeakPolarHBondContact O-CG1 3.34Å; C36-I40 PolarHBondContact O-N 3.23Å; C36-I40 VanDerWaalsContact O-N 3.07Å
37	M	18.2	Very low	24.7	Very low	125 Å²	125	113.6 Å²	113.6	62%	0.616	57%	0.566	S	S	*	*	H	α-helix	trans	-62.4	-44.2	172.4	-87.1	-98.3	-139.6	0	0	111.8	L33 P34 L39 I40 I41	L33-M37 PolarHBondContact O-N 2.94Å; P34-M37 PolarHBondContact O-N 3.5Å; M37-L39 VanDerWaalsContact C-N 3.34Å; M37-L39 PolarHBondContact O-N 3.09Å; M37-I40 PolarHBondContact O-N 3.49Å; M37-I41 WeakPolarHBondContact O-CB 3.36Å; M37-I41 VanDerWaalsContact O-CG1 3.26Å; M37-I41 WeakPolarHBondContact O-CG1 3.22Å; M37-I41 PolarHBondContact O-N 3.45Å
38	L	24.4	Very low	24.9	Very low	128 Å²	128	118 Å²	118	67%	0.67	58%	0.576	S	S	*	*	H	α-helix	trans	-63.4	-36.2	176.7	-82.3	159.5	0	0	0	112.8	P34 G42	P34-L38 WeakPolarHBondContact O-CB 3.49Å; P34-L38 PolarHBondContact O-N 3.33Å; L38-G42 PolarHBondContact O-N 2.97Å
39	L	23.2	Very low	25	Very low	126 Å²	126	117.2 Å²	117.2	66%	0.66	57%	0.572	S	S	*	*	H	α-helix	trans	-73.1	-33.4	177.3	-77.1	167.4	0	0	0	113.3	T35 C36 M37 K43	T35-L39 WeakPolarHBondContact O-CG 3.16Å; T35-L39 PolarHBondContact O-N 3.21Å; T35-L39 VanDerWaalsContact O-N 3.11Å; C36-L39 PolarHBondContact O-N 2.97Å; M37-L39 VanDerWaalsContact C-N 3.34Å; M37-L39 PolarHBondContact O-N 3.09Å; L39-K43 PolarHBondContact O-N 3.22Å
40	I	24.7	Very low	25.4	Very low	118 Å²	118	114.1 Å²	114.1	61%	0.605	57%	0.568	S	S	*	*	H	α-helix	trans	-75.7	-42.9	178	-66.7	168.8	0	0	0	110.6	C36 M37 G42 K43 E44	C36-I40 VanDerWaalsContact O-CG1 3.31Å; C36-I40 WeakPolarHBondContact O-CG1 3.34Å; C36-I40 PolarHBondContact O-N 3.23Å; C36-I40 VanDerWaalsContact O-N 3.07Å; M37-I40 PolarHBondContact O-N 3.49Å; I40-G42 VanDerWaalsContact C-N 3.32Å; I40-G42 PolarHBondContact O-N 3.43Å; I40-K43 PolarHBondContact O-N 3.18Å; I40-E44 PolarHBondContact O-N 2.9Å
41	I	24.7	Very low	25.6	Very low	107 Å²	107	116.3 Å²	116.3	55%	0.549	57%	0.57	S	S	.	*	H	α-helix	trans	-61.9	-41.9	173.8	-64.3	171.3	0	0	0	110.1	M37 K43 F45	M37-I41 WeakPolarHBondContact O-CB 3.36Å; M37-I41 VanDerWaalsContact O-CG1 3.26Å; M37-I41 WeakPolarHBondContact O-CG1 3.22Å; M37-I41 PolarHBondContact O-N 3.45Å; I41-K43 VanDerWaalsContact C-N 3.33Å; I41-K43 PolarHBondContact O-N 2.85Å; I41-F45 VanDerWaalsContact O-CB 3.27Å; I41-F45 WeakPolarHBondContact O-CB 3.12Å; I41-F45 PolarHBondContact O-N 3.33Å
42	G	22.6	Very low	25.9	Very low	39 Å²	39	111.7 Å²	111.7	40%	0.402	56%	0.558	S	S	.	*	H	α-helix	trans	-66	-26.4	178.1	0	0	0	0	0	115.2	L38 I40 R46	L38-G42 PolarHBondContact O-N 2.97Å; I40-G42 VanDerWaalsContact C-N 3.32Å; I40-G42 PolarHBondContact O-N 3.43Å; G42-R46 WeakPolarHBondContact O-CB 3.07Å; G42-R46 PolarHBondContact O-N 2.82Å
43	K	28	Very low	26.4	Very low	158 Å²	158	112.2 Å²	112.2	69%	0.687	56%	0.558	S	S	*	*	H	α-helix	trans	-81.4	-42.4	178.7	-110	-178.2	176.7	178.3	0	113	L39 I40 I41 R46 R47	L39-K43 PolarHBondContact O-N 3.22Å; I40-K43 PolarHBondContact O-N 3.18Å; I41-K43 VanDerWaalsContact C-N 3.33Å; I41-K43 PolarHBondContact O-N 2.85Å; K43-R46 WeakPolarHBondContact O-CB 3.43Å; K43-R46 PolarHBondContact O-N 3.07Å; K43-R47 PolarHBondContact O-N 2.91Å; K43-R47 VanDerWaalsContact O-N 3.12Å
44	E	23.1	Very low	26.8	Very low	114 Å²	114	114 Å²	114	53%	0.533	56%	0.559	S	S	.	*	H	α-helix	trans	-74.2	-35.6	178.4	-71.3	-59.5	147.4	0	0	111.6	I40 R46 R47 F48	I40-E44 PolarHBondContact O-N 2.9Å; E44-R46 VanDerWaalsContact C-N 3.35Å; E44-R46 PolarHBondContact O-N 2.78Å; E44-R47 PolarHBondContact O-N 3.27Å; E44-R47 IonicContact OE1-NH1 2.62Å; E44-F48 PolarHBondContact O-N 2.75Å
45	F	26.4	Very low	27.4	Very low	138 Å²	138	115.1 Å²	115.1	61%	0.605	56%	0.561	S	S	*	*	H	α-helix	trans	-65.2	-37.4	171.6	-150.2	-103.3	0	0	0	111.8	I41 F48 I49	I41-F45 VanDerWaalsContact O-CB 3.27Å; I41-F45 WeakPolarHBondContact O-CB 3.12Å; I41-F45 PolarHBondContact O-N 3.33Å; F45-F48 PolarHBondContact O-N 3.43Å; F45-I49 HydrophobicContact CD1-CD1 3.56Å; F45-I49 HydrophobicContact CD1-CG1 4.25Å; F45-I49 HydrophobicContact CE1-CD1 3.57Å; F45-I49 HydrophobicContact CE1-CG1 4.31Å; F45-I49 WeakPolarHBondContact O-CG1 3.41Å; F45-I49 PolarHBondContact O-N 3.22Å
46	R	28.9	Very low	27.8	Very low	187 Å²	187	114.1 Å²	114.1	71%	0.706	56%	0.559	S	S	*	*	H	α-helix	trans	-60.5	-42.8	171.2	-103	-176.3	-179.1	-163.4	0.8	113.2	G42 K43 E44 L50	G42-R46 WeakPolarHBondContact O-CB 3.07Å; G42-R46 PolarHBondContact O-N 2.82Å; K43-R46 WeakPolarHBondContact O-CB 3.43Å; K43-R46 PolarHBondContact O-N 3.07Å; E44-R46 VanDerWaalsContact C-N 3.35Å; E44-R46 PolarHBondContact O-N 2.78Å; R46-L50 WeakPolarHBondContact O-CB 3.43Å; R46-L50 WeakPolarHBondContact O-CD1 3.42Å; R46-L50 VanDerWaalsContact O-CG 3.23Å; R46-L50 WeakPolarHBondContact O-CG 3.5Å; R46-L50 PolarHBondContact O-N 3.49Å; R46-L50 VanDerWaalsContact O-N 3.1Å
47	R	27.6	Very low	28.3	Very low	176 Å²	176	116.3 Å²	116.3	66%	0.664	56%	0.561	S	S	*	*	H	α-helix	trans	-66.1	-39.6	178.4	-97.2	-175.9	178.6	173.8	-2.3	111.9	K43 E44 Q51	K43-R47 PolarHBondContact O-N 2.91Å; K43-R47 VanDerWaalsContact O-N 3.12Å; E44-R47 PolarHBondContact O-N 3.27Å; E44-R47 IonicContact OE1-NH1 2.62Å; R47-Q51 PolarHBondContact O-N 2.85Å
48	F	26.1	Very low	29.2	Very low	166 Å²	166	117.4 Å²	117.4	73%	0.728	56%	0.563	S	S	*	*	H	α-helix	trans	-69.4	-42.1	180	-161.5	-95.7	0	0	0	112.2	E44 F45 S52	E44-F48 PolarHBondContact O-N 2.75Å; F45-F48 PolarHBondContact O-N 3.43Å; F48-S52 PolarHBondContact O-N 3.32Å
49	I	29.5	Very low	29.9	Very low	68 Å²	68	116.5 Å²	116.5	35%	0.349	56%	0.558	S	S	.	*	H	α-helix	trans	-62.5	-50.1	175.2	-70.6	178.3	0	0	0	110.9	F45 Q51 S52 E53	F45-I49 HydrophobicContact CD1-CD1 3.56Å; F45-I49 HydrophobicContact CD1-CG1 4.25Å; F45-I49 HydrophobicContact CE1-CD1 3.57Å; F45-I49 HydrophobicContact CE1-CG1 4.31Å; F45-I49 WeakPolarHBondContact O-CG1 3.41Å; F45-I49 PolarHBondContact O-N 3.22Å; I49-Q51 VanDerWaalsContact C-N 3.31Å; I49-Q51 PolarHBondContact O-N 3.35Å; I49-S52 PolarHBondContact O-N 3.44Å; I49-S52 VanDerWaalsContact O-N 3.15Å; I49-S52 PolarHBondContact O-OG 3.29Å; I49-E53 HydrophobicContact CG2-CG 4.11Å; I49-E53 VanDerWaalsContact CG2-OE1 3.25Å; I49-E53 WeakPolarHBondContact CG2-OE1 3.48Å; I49-E53 WeakPolarHBondContact O-CG 3.17Å; I49-E53 PolarHBondContact O-N 3.21Å
50	L	30.1	Very low	30.4	Very low	104 Å²	104	114.9 Å²	114.9	55%	0.545	55%	0.549	S	S	.	.	H	α-helix	trans	-60.8	-34.5	-176.6	-77	165.7	0	0	0	113.8	R46 Y54	R46-L50 WeakPolarHBondContact O-CB 3.43Å; R46-L50 WeakPolarHBondContact O-CD1 3.42Å; R46-L50 VanDerWaalsContact O-CG 3.23Å; R46-L50 WeakPolarHBondContact O-CG 3.5Å; R46-L50 PolarHBondContact O-N 3.49Å; R46-L50 VanDerWaalsContact O-N 3.1Å; L50-Y54 WeakPolarHBondContact O-CB 3.37Å; L50-Y54 PolarHBondContact O-N 2.94Å; L50-Y54 VanDerWaalsContact O-N 3.12Å
51	Q	31.5	Very low	30.8	Very low	122 Å²	122	115.9 Å²	115.9	57%	0.57	55%	0.545	S	S	*	.	H	α-helix	trans	-73.1	-39.3	178.6	-160.6	74.7	22.2	0	0	111.3	R47 I49 Y54 D55	R47-Q51 PolarHBondContact O-N 2.85Å; I49-Q51 VanDerWaalsContact C-N 3.31Å; I49-Q51 PolarHBondContact O-N 3.35Å; Q51-Y54 PolarHBondContact O-N 3.46Å; Q51-D55 PolarHBondContact O-N 3.35Å
52	S	31.8	Very low	31.3	Very low	66 Å²	66	112.7 Å²	112.7	46%	0.462	54%	0.539	S	S	.	.	H	α-helix	trans	-67.3	-37	175.7	75.7	0	0	0	0	112.5	F48 I49 Y54 D55 A56	F48-S52 PolarHBondContact O-N 3.32Å; I49-S52 PolarHBondContact O-N 3.44Å; I49-S52 VanDerWaalsContact O-N 3.15Å; I49-S52 PolarHBondContact O-OG 3.29Å; S52-Y54 VanDerWaalsContact C-N 3.33Å; S52-Y54 PolarHBondContact O-N 3.22Å; S52-D55 PolarHBondContact O-N 3.04Å; S52-A56 PolarHBondContact O-N 2.77Å; S52-A56 VanDerWaalsContact O-N 3.13Å
53	E	32.6	Very low	31.9	Very low	108 Å²	108	118.8 Å²	118.8	51%	0.505	55%	0.55	S	S	.	.	H	α-helix	trans	-65.1	-36	174.2	-72.9	176.4	167.8	0	0	111.8	I49 F57	I49-E53 HydrophobicContact CG2-CG 4.11Å; I49-E53 VanDerWaalsContact CG2-OE1 3.25Å; I49-E53 WeakPolarHBondContact CG2-OE1 3.48Å; I49-E53 WeakPolarHBondContact O-CG 3.17Å; I49-E53 PolarHBondContact O-N 3.21Å; E53-F57 VanDerWaalsContact O-CB 3.31Å; E53-F57 WeakPolarHBondContact O-CB 3.14Å; E53-F57 PolarHBondContact O-N 2.83Å
54	Y	33.6	Very low	32	Very low	139 Å²	139	116 Å²	116	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-67.6	-41.2	177.1	-176.1	-99.5	0	0	0	112.8	L50 Q51 S52 F57 K58	L50-Y54 WeakPolarHBondContact O-CB 3.37Å; L50-Y54 PolarHBondContact O-N 2.94Å; L50-Y54 VanDerWaalsContact O-N 3.12Å; Q51-Y54 PolarHBondContact O-N 3.46Å; S52-Y54 VanDerWaalsContact C-N 3.33Å; S52-Y54 PolarHBondContact O-N 3.22Å; Y54-F57 WeakPolarHBondContact O-CB 3.36Å; Y54-F57 PolarHBondContact O-N 3.05Å; Y54-K58 PolarHBondContact O-N 3Å; Y54-K58 VanDerWaalsContact O-N 3.1Å
55	D	39.2	Very low	32.8	Very low	92 Å²	92	115.7 Å²	115.7	49%	0.492	54%	0.54	S	S	.	.	H	α-helix	trans	-70.4	-36.4	178.4	-71.7	-25.7	0	0	0	111.7	Q51 S52 K58 L59	Q51-D55 PolarHBondContact O-N 3.35Å; S52-D55 PolarHBondContact O-N 3.04Å; D55-K58 PolarHBondContact O-N 3.32Å; D55-L59 PolarHBondContact O-N 3.17Å
56	A	35.1	Very low	33.5	Very low	48 Å²	48	116.2 Å²	116.2	40%	0.397	54%	0.542	S	S	.	.	H	α-helix	trans	-65.8	-39.2	171.7	0	0	0	0	0	112.3	S52 K58 L59 I60	S52-A56 PolarHBondContact O-N 2.77Å; S52-A56 VanDerWaalsContact O-N 3.13Å; A56-K58 VanDerWaalsContact C-N 3.32Å; A56-K58 PolarHBondContact O-N 2.84Å; A56-L59 WeakPolarHBondContact O-CB 3.18Å; A56-L59 PolarHBondContact O-N 3.46Å; A56-I60 WeakPolarHBondContact O-CG1 3.26Å; A56-I60 PolarHBondContact O-N 3.09Å
57	F	33.3	Very low	33.8	Very low	114 Å²	114	114.7 Å²	114.7	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-61.1	-39.3	175	-179.3	-99.3	0	0	0	112.3	E53 Y54 L59 I60 R61	E53-F57 VanDerWaalsContact O-CB 3.31Å; E53-F57 WeakPolarHBondContact O-CB 3.14Å; E53-F57 PolarHBondContact O-N 2.83Å; Y54-F57 WeakPolarHBondContact O-CB 3.36Å; Y54-F57 PolarHBondContact O-N 3.05Å; F57-L59 VanDerWaalsContact C-N 3.28Å; F57-L59 PolarHBondContact O-N 3.11Å; F57-I60 PolarHBondContact O-N 2.93Å; F57-R61 VanDerWaalsContact O-CB 3.32Å; F57-R61 WeakPolarHBondContact O-CB 3.38Å; F57-R61 PolarHBondContact O-N 3Å
58	K	37.9	Very low	34.2	Very low	148 Å²	148	109.8 Å²	109.8	64%	0.643	53%	0.527	S	S	*	.	H	α-helix	trans	-62.4	-36.7	176.5	-148.9	178.7	-174.2	-177	0	111.9	Y54 D55 A56 G62	Y54-K58 PolarHBondContact O-N 3Å; Y54-K58 VanDerWaalsContact O-N 3.1Å; D55-K58 PolarHBondContact O-N 3.32Å; A56-K58 VanDerWaalsContact C-N 3.32Å; A56-K58 PolarHBondContact O-N 2.84Å; K58-G62 PolarHBondContact O-N 3.31Å
59	L	37.4	Very low	34.9	Very low	109 Å²	109	108.2 Å²	108.2	57%	0.571	52%	0.522	S	S	*	.	H	α-helix	trans	-73.6	-44.2	177.4	-169.5	72.4	0	0	0	112.5	D55 A56 F57 G62 R63	D55-L59 PolarHBondContact O-N 3.17Å; A56-L59 WeakPolarHBondContact O-CB 3.18Å; A56-L59 PolarHBondContact O-N 3.46Å; F57-L59 VanDerWaalsContact C-N 3.28Å; F57-L59 PolarHBondContact O-N 3.11Å; L59-G62 PolarHBondContact O-N 2.94Å; L59-R63 PolarHBondContact O-N 3.38Å
60	I	34.1	Very low	35.3	Very low	91 Å²	91	110.3 Å²	110.3	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-65	-41.2	179.1	-70.4	168.7	0	0	0	110.7	A56 F57 R63 L64	A56-I60 WeakPolarHBondContact O-CG1 3.26Å; A56-I60 PolarHBondContact O-N 3.09Å; F57-I60 PolarHBondContact O-N 2.93Å; I60-R63 PolarHBondContact O-N 2.89Å; I60-L64 HydrophobicContact CG2-CD1 3.8Å; I60-L64 PolarHBondContact O-N 3.29Å
61	R	33.6	Very low	35.5	Very low	139 Å²	139	110.1 Å²	110.1	53%	0.525	53%	0.532	S	S	.	.	H	α-helix	trans	-61.3	-44.9	175.1	-176.7	178.6	170.4	164.8	1.7	112.3	F57 R63 L64 E65	F57-R61 VanDerWaalsContact O-CB 3.32Å; F57-R61 WeakPolarHBondContact O-CB 3.38Å; F57-R61 PolarHBondContact O-N 3Å; R61-R63 PolarHBondContact O-N 2.8Å; R61-L64 PolarHBondContact O-N 3.39Å; R61-E65 IonicContact CZ-OE1 3.14Å; R61-E65 IonicContact NE-OE1 3.21Å; R61-E65 PolarHBondContact NE-OE1 3.08Å; R61-E65 VanDerWaalsContact NE-OE1 3.1Å; R61-E65 IonicContact NH2-OE1 2.78Å; R61-E65 PolarHBondContact O-N 2.96Å
62	G	34.1	Very low	35.7	Very low	41 Å²	41	110.2 Å²	110.2	42%	0.423	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-30.9	176.4	0	0	0	0	0	113.3	K58 L59	K58-G62 PolarHBondContact O-N 3.31Å; L59-G62 PolarHBondContact O-N 2.94Å
63	R	35.2	Very low	36.1	Very low	166 Å²	166	112 Å²	112	63%	0.626	54%	0.544	S	S	*	.	H	α-helix	trans	-76.1	-40.3	173.7	-70	-178.1	177.5	-170.9	0.2	112.4	L59 I60 R61 K66 Y67	L59-R63 PolarHBondContact O-N 3.38Å; I60-R63 PolarHBondContact O-N 2.89Å; R61-R63 PolarHBondContact O-N 2.8Å; R63-K66 WeakPolarHBondContact O-CB 3.12Å; R63-K66 PolarHBondContact O-N 3.46Å; R63-Y67 VanDerWaalsContact O-CD2 3.28Å; R63-Y67 WeakPolarHBondContact O-CD2 3.34Å; R63-Y67 PolarHBondContact O-N 2.84Å; R63-Y67 VanDerWaalsContact O-N 3.07Å
64	L	31.4	Very low	36.1	Very low	100 Å²	100	109.3 Å²	109.3	52%	0.524	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-39.5	178.1	-100.5	148.1	0	0	0	112.8	I60 R61 K66 Y67 V68	I60-L64 HydrophobicContact CG2-CD1 3.8Å; I60-L64 PolarHBondContact O-N 3.29Å; R61-L64 PolarHBondContact O-N 3.39Å; L64-K66 PolarHBondContact O-N 2.82Å; L64-Y67 PolarHBondContact O-N 3.15Å; L64-Y67 VanDerWaalsContact O-N 3.15Å; L64-V68 WeakPolarHBondContact O-CG2 3.34Å; L64-V68 PolarHBondContact O-N 3.47Å
65	E	40.3	Very low	35.8	Very low	107 Å²	107	104.7 Å²	104.7	50%	0.5	54%	0.535	S	S	.	.	H	α-helix	trans	-59	-39.4	174.6	-74.8	171.1	-176.6	0	0	111	R61 V68 E69	R61-E65 IonicContact CZ-OE1 3.14Å; R61-E65 IonicContact NE-OE1 3.21Å; R61-E65 PolarHBondContact NE-OE1 3.08Å; R61-E65 VanDerWaalsContact NE-OE1 3.1Å; R61-E65 IonicContact NH2-OE1 2.78Å; R61-E65 PolarHBondContact O-N 2.96Å; E65-V68 PolarHBondContact O-N 3.17Å; E65-E69 WeakPolarHBondContact O-CB 3.32Å; E65-E69 PolarHBondContact O-N 2.92Å
66	K	40.1	Very low	35.6	Very low	149 Å²	149	104.6 Å²	104.6	65%	0.648	55%	0.547	S	S	*	.	H	α-helix	trans	-68.2	-36.9	175.5	-153.9	175.4	-174	178.5	0	113.1	R63 L64 L70	R63-K66 WeakPolarHBondContact O-CB 3.12Å; R63-K66 PolarHBondContact O-N 3.46Å; L64-K66 PolarHBondContact O-N 2.82Å; K66-L70 PolarHBondContact O-N 3Å; K66-L70 VanDerWaalsContact O-N 3.13Å
67	Y	34.7	Very low	35.6	Very low	155 Å²	155	105.5 Å²	105.5	61%	0.608	55%	0.554	S	S	*	*	H	α-helix	trans	-69.2	-39.6	174.6	-87.6	-73.3	0	0	0	112.5	R63 L64 L70 I71	R63-Y67 VanDerWaalsContact O-CD2 3.28Å; R63-Y67 WeakPolarHBondContact O-CD2 3.34Å; R63-Y67 PolarHBondContact O-N 2.84Å; R63-Y67 VanDerWaalsContact O-N 3.07Å; L64-Y67 PolarHBondContact O-N 3.15Å; L64-Y67 VanDerWaalsContact O-N 3.15Å; Y67-L70 WeakPolarHBondContact O-CB 3.44Å; Y67-L70 PolarHBondContact O-N 3.1Å; Y67-I71 WeakPolarHBondContact O-CB 3.36Å; Y67-I71 WeakPolarHBondContact O-CD1 3.46Å; Y67-I71 WeakPolarHBondContact O-CG1 3.26Å; Y67-I71 PolarHBondContact O-N 3.44Å
68	V	37.3	Very low	35.4	Very low	74 Å²	74	107.6 Å²	107.6	45%	0.448	56%	0.559	S	S	.	*	H	α-helix	trans	-66.6	-40.2	176.5	171.9	0	0	0	0	110.8	L64 E65 L70 I71 L72	L64-V68 WeakPolarHBondContact O-CG2 3.34Å; L64-V68 PolarHBondContact O-N 3.47Å; E65-V68 PolarHBondContact O-N 3.17Å; V68-L70 VanDerWaalsContact C-N 3.34Å; V68-L70 PolarHBondContact O-N 2.9Å; V68-I71 PolarHBondContact O-N 3.36Å; V68-L72 HydrophobicContact CG1-CD1 3.99Å; V68-L72 HydrophobicContact CG1-CG 4.3Å; V68-L72 WeakPolarHBondContact O-CB 3.26Å; V68-L72 VanDerWaalsContact O-CG 3.31Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 3.16Å
69	E	40.1	Very low	34.9	Very low	133 Å²	133	109.3 Å²	109.3	62%	0.621	57%	0.567	S	S	*	*	H	α-helix	trans	-60.9	-43	173.8	-166.5	176	-162.8	0	0	111.6	E65 L72 T73	E65-E69 WeakPolarHBondContact O-CB 3.32Å; E65-E69 PolarHBondContact O-N 2.92Å; E69-L72 PolarHBondContact O-N 3.34Å; E69-T73 WeakPolarHBondContact O-CB 3.25Å; E69-T73 PolarHBondContact O-N 3.03Å; E69-T73 PolarHBondContact O-OG1 3.07Å
70	L	38.1	Very low	34.8	Very low	111 Å²	111	111.5 Å²	111.5	58%	0.581	58%	0.578	S	S	*	*	H	α-helix	trans	-60.5	-43.8	172.5	-101.5	150.2	0	0	0	112.6	K66 Y67 V68 T73 A74	K66-L70 PolarHBondContact O-N 3Å; K66-L70 VanDerWaalsContact O-N 3.13Å; Y67-L70 WeakPolarHBondContact O-CB 3.44Å; Y67-L70 PolarHBondContact O-N 3.1Å; V68-L70 VanDerWaalsContact C-N 3.34Å; V68-L70 PolarHBondContact O-N 2.9Å; L70-T73 PolarHBondContact O-N 2.98Å; L70-A74 WeakPolarHBondContact O-CB 3.42Å; L70-A74 PolarHBondContact O-N 2.96Å
71	I	33.2	Very low	35	Very low	100 Å²	100	115.8 Å²	115.8	51%	0.513	60%	0.596	S	S	.	*	H	α-helix	trans	-69.1	-37.2	179.3	-70.3	164.7	0	0	0	111.4	Y67 V68 A74 G75	Y67-I71 WeakPolarHBondContact O-CB 3.36Å; Y67-I71 WeakPolarHBondContact O-CD1 3.46Å; Y67-I71 WeakPolarHBondContact O-CG1 3.26Å; Y67-I71 PolarHBondContact O-N 3.44Å; V68-I71 PolarHBondContact O-N 3.36Å; I71-A74 PolarHBondContact O-N 2.9Å; I71-G75 WeakPolarHBondContact O-CA 3.34Å; I71-G75 PolarHBondContact O-N 3.43Å
72	L	35.9	Very low	35	Very low	125 Å²	125	114.3 Å²	114.3	65%	0.654	60%	0.599	S	S	*	*	H	α-helix	trans	-67.9	-38.9	174.8	-73	171.8	0	0	0	111.3	V68 E69 G75 A76	V68-L72 HydrophobicContact CG1-CD1 3.99Å; V68-L72 HydrophobicContact CG1-CG 4.3Å; V68-L72 WeakPolarHBondContact O-CB 3.26Å; V68-L72 VanDerWaalsContact O-CG 3.31Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 3.16Å; E69-L72 PolarHBondContact O-N 3.34Å; L72-G75 PolarHBondContact O-N 3.47Å; L72-A76 PolarHBondContact O-N 2.71Å
73	T	40.1	Very low	34.9	Very low	104 Å²	104	119.6 Å²	119.6	64%	0.638	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-39.4	175.6	-47.3	0	0	0	0	111	E69 L70	E69-T73 WeakPolarHBondContact O-CB 3.25Å; E69-T73 PolarHBondContact O-N 3.03Å; E69-T73 PolarHBondContact O-OG1 3.07Å; L70-T73 PolarHBondContact O-N 2.98Å
74	A	33.5	Very low	35.1	Very low	50 Å²	50	117.1 Å²	117.1	41%	0.413	61%	0.612	S	S	.	*	H	α-helix	trans	-72.7	-35.8	175.4	0	0	0	0	0	113	L70 I71 A76 A77	L70-A74 WeakPolarHBondContact O-CB 3.42Å; L70-A74 PolarHBondContact O-N 2.96Å; I71-A74 PolarHBondContact O-N 2.9Å; A74-A76 VanDerWaalsContact C-N 3.3Å; A74-A76 PolarHBondContact O-N 3.37Å; A74-A77 PolarHBondContact O-N 3.5Å; A74-A77 VanDerWaalsContact O-N 3.14Å
75	G	27.1	Very low	35.4	Very low	43 Å²	43	116.5 Å²	116.5	44%	0.443	61%	0.612	S	S	.	*	H	α-helix	trans	-67.9	-26.5	-179.8	0	0	0	0	0	113.7	I71 L72 A77 W78	I71-G75 WeakPolarHBondContact O-CA 3.34Å; I71-G75 PolarHBondContact O-N 3.43Å; L72-G75 PolarHBondContact O-N 3.47Å; G75-A77 PolarHBondContact O-N 3.31Å; G75-W78 PolarHBondContact O-N 3.31Å
76	A	35.6	Very low	35	Very low	90 Å²	90	117.7 Å²	117.7	74%	0.744	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-24.1	172.2	0	0	0	0	0	113	L72 A74	L72-A76 PolarHBondContact O-N 2.71Å; A74-A76 VanDerWaalsContact C-N 3.3Å; A74-A76 PolarHBondContact O-N 3.37Å
77	A	35.6	Very low	34.8	Very low	67 Å²	67	116.3 Å²	116.3	55%	0.554	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-14	-177.3	0	0	0	0	0	114.4	A74 G75	A74-A77 PolarHBondContact O-N 3.5Å; A74-A77 VanDerWaalsContact O-N 3.14Å; G75-A77 PolarHBondContact O-N 3.31Å
78	W	27.9	Very low	34.9	Very low	158 Å²	158	115 Å²	115	60%	0.598	61%	0.607	S	S	*	*			trans	-126	32.4	-161.5	-139.5	41.9	0	0	0	113.9	G75 L80 Y205	G75-W78 PolarHBondContact O-N 3.31Å; W78-L80 PolarHBondContact O-N 3.37Å; W78-Y205 HydrophobicContact CZ2-CE2 4.03Å
79	K	28.3	Very low	34.7	Very low	184 Å²	184	116.3 Å²	116.3	80%	0.8	61%	0.612	S	S	*	*			trans	-70.7	104.8	160.6	-85.2	-179.4	171.8	178.5	0	108
80	L	35.2	Very low	34.3	Very low	155 Å²	155	114.2 Å²	114.2	81%	0.812	60%	0.603	S	S	*	*	S	Bend		176.7	-17.1	114.7	-102.5	134.9	0	0	0	117.1	W78	W78-L80 PolarHBondContact O-N 3.37Å
81	E	38	Very low	34.1	Very low	180 Å²	180	111.1 Å²	111.1	84%	0.841	59%	0.587	S	S	*	*	S	Bend	trans	-125.8	-8.1	-165.5	-74.7	-175.6	168.2	0	0	119.5
82	N	32.5	Very low	34.1	Very low	109 Å²	109	110.2 Å²	110.2	58%	0.583	59%	0.59	S	S	*	*			trans	-126.8	26.4	-176.2	-78.5	-43.7	0	0	0	115.3	D84	N82-D84 VanDerWaalsContact C-N 3.31Å; N82-D84 PolarHBondContact O-N 3.28Å
83	E	32.4	Very low	33.8	Very low	152 Å²	152	112.3 Å²	112.3	71%	0.71	59%	0.59	S	S	*	*	H	α-helix	trans	-68.9	-21.5	-174	-161.6	171.6	-165.5	0	0	114.4	R87	E83-R87 PolarHBondContact O-NE 3.05Å; E83-R87 PolarHBondContact O-NH2 2.92Å; E83-R87 VanDerWaalsContact O-NH2 3.09Å
84	D	39.1	Very low	33.4	Very low	114 Å²	114	109.2 Å²	109.2	61%	0.61	57%	0.569	S	S	*	*	H	α-helix	trans	-79.8	-41.1	-178.1	-71.5	-36.6	0	0	0	112.6	N82 R87 M88	N82-D84 VanDerWaalsContact C-N 3.31Å; N82-D84 PolarHBondContact O-N 3.28Å; D84-R87 WeakPolarHBondContact O-CB 3.45Å; D84-R87 PolarHBondContact O-N 3.2Å; D84-R87 IonicContact OD1-CZ 3.94Å; D84-R87 IonicContact OD1-NH1 3.65Å; D84-R87 PolarHBondContact OD1-NH1 3.31Å; D84-R87 IonicContact OD1-NH2 3.86Å; D84-R87 PolarHBondContact OD1-NH2 3.25Å; D84-M88 PolarHBondContact O-N 3.02Å
85	T	37.6	Very low	33.3	Very low	87 Å²	87	106.9 Å²	106.9	53%	0.534	55%	0.55	S	S	.	*	H	α-helix	trans	-76.4	-33.6	-174.4	-46.8	0	0	0	0	112.5	R87 M88	T85-R87 VanDerWaalsContact C-N 3.28Å; T85-R87 PolarHBondContact O-N 3.39Å; T85-M88 PolarHBondContact O-N 2.8Å
86	F	32.4	Very low	33.6	Very low	131 Å²	131	107.2 Å²	107.2	58%	0.575	54%	0.543	S	S	*	.	H	α-helix	trans	-64.9	-34.3	173.3	-179	-102.7	0	0	0	112	M88 N89 M90	F86-M88 PolarHBondContact O-N 3.41Å; F86-N89 PolarHBondContact O-N 3.23Å; F86-M90 HydrophobicContact CD1-CG 4.43Å; F86-M90 HydrophobicContact CE1-CE 4.24Å; F86-M90 HydrophobicContact CE1-CG 3.95Å; F86-M90 HydrophobicContact CE2-CE 4.17Å; F86-M90 HydrophobicContact CZ-CE 3.55Å; F86-M90 HydrophobicContact CZ-CG 4.05Å; F86-M90 PolarHBondContact O-N 3.31Å; F86-M90 VanDerWaalsContact O-N 3.14Å
87	R	35.4	Very low	33.4	Very low	120 Å²	120	105.7 Å²	105.7	45%	0.453	52%	0.523	S	S	.	.	H	α-helix	trans	-59.1	-47.3	176.8	-151.8	177.8	-51.6	163	12.9	111.5	E83 D84 T85 N89 M90 D91	E83-R87 PolarHBondContact O-NE 3.05Å; E83-R87 PolarHBondContact O-NH2 2.92Å; E83-R87 VanDerWaalsContact O-NH2 3.09Å; D84-R87 WeakPolarHBondContact O-CB 3.45Å; D84-R87 PolarHBondContact O-N 3.2Å; D84-R87 IonicContact OD1-CZ 3.94Å; D84-R87 IonicContact OD1-NH1 3.65Å; D84-R87 PolarHBondContact OD1-NH1 3.31Å; D84-R87 IonicContact OD1-NH2 3.86Å; D84-R87 PolarHBondContact OD1-NH2 3.25Å; T85-R87 VanDerWaalsContact C-N 3.28Å; T85-R87 PolarHBondContact O-N 3.39Å; R87-N89 VanDerWaalsContact C-N 3.32Å; R87-N89 PolarHBondContact O-N 3.01Å; R87-M90 PolarHBondContact O-N 2.78Å; R87-D91 VanDerWaalsContact O-CB 3.28Å; R87-D91 WeakPolarHBondContact O-CB 3.47Å; R87-D91 PolarHBondContact O-N 2.78Å
88	M	37.5	Very low	33.4	Very low	128 Å²	128	103.1 Å²	103.1	63%	0.631	50%	0.499	S	S	*	.	H	α-helix	trans	-61.9	-34	178.6	-96.8	-175.4	57.4	0	0	114	D84 T85 F86 D91	D84-M88 PolarHBondContact O-N 3.02Å; T85-M88 PolarHBondContact O-N 2.8Å; F86-M88 PolarHBondContact O-N 3.41Å; M88-D91 WeakPolarHBondContact O-CB 3.41Å
89	N	32.9	Very low	33.9	Very low	101 Å²	101	100.3 Å²	100.3	54%	0.54	50%	0.499	S	S	.	.	H	α-helix	trans	-78.9	-33.8	179.4	-75.3	-21.7	0	0	0	112	F86 R87 S92	F86-N89 PolarHBondContact O-N 3.23Å; R87-N89 VanDerWaalsContact C-N 3.32Å; R87-N89 PolarHBondContact O-N 3.01Å; N89-S92 PolarHBondContact O-N 2.97Å
90	M	32.8	Very low	34.2	Very low	89 Å²	89	95.9 Å²	95.9	44%	0.438	48%	0.484	S	S	.	.	H	α-helix	trans	-67.9	-36.3	171.5	-81.8	-62.6	-179.2	0	0	112.8	F86 R87 S92 Y93 M94	F86-M90 HydrophobicContact CD1-CG 4.43Å; F86-M90 HydrophobicContact CE1-CE 4.24Å; F86-M90 HydrophobicContact CE1-CG 3.95Å; F86-M90 HydrophobicContact CE2-CE 4.17Å; F86-M90 HydrophobicContact CZ-CE 3.55Å; F86-M90 HydrophobicContact CZ-CG 4.05Å; F86-M90 PolarHBondContact O-N 3.31Å; F86-M90 VanDerWaalsContact O-N 3.14Å; R87-M90 PolarHBondContact O-N 2.78Å; M90-S92 PolarHBondContact O-N 2.94Å; M90-Y93 PolarHBondContact O-N 3.2Å; M90-M94 WeakPolarHBondContact O-CG 3.38Å; M90-M94 PolarHBondContact O-N 3.1Å
91	D	33.6	Very low	34.2	Very low	47 Å²	47	89.5 Å²	89.5	25%	0.251	45%	0.451	S	S	.	.	H	α-helix	trans	-54.2	-29.4	172.8	-85.9	-7.6	0	0	0	113.1	R87 M88 Y135	R87-D91 VanDerWaalsContact O-CB 3.28Å; R87-D91 WeakPolarHBondContact O-CB 3.47Å; R87-D91 PolarHBondContact O-N 2.78Å; M88-D91 WeakPolarHBondContact O-CB 3.41Å; D91-Y135 VanDerWaalsContact CA-OH 3.24Å; D91-Y135 WeakPolarHBondContact CA-OH 3.48Å; D91-Y135 HydrophobicContact CB-CE1 4.48Å; D91-Y135 HydrophobicContact CB-CE2 4.11Å; D91-Y135 WeakPolarHBondContact CB-OH 3.32Å; D91-Y135 WeakPolarHBondContact O-CE1 3.46Å; D91-Y135 VanDerWaalsContact O-CZ 3.26Å; D91-Y135 PolarHBondContact O-OH 3.07Å; D91-Y135 VanDerWaalsContact OD1-CE2 3.25Å; D91-Y135 WeakPolarHBondContact OD1-CE2 3.23Å
92	S	32.7	Very low	34	Very low	81 Å²	81	84 Å²	84	57%	0.566	43%	0.431	S	S	*	.	H	α-helix	trans	-79.8	-41.2	173.4	-170.3	0	0	0	0	112.6	N89 M90 M94 G95 K139	N89-S92 PolarHBondContact O-N 2.97Å; M90-S92 PolarHBondContact O-N 2.94Å; S92-M94 VanDerWaalsContact C-N 3.27Å; S92-M94 PolarHBondContact O-N 3.3Å; S92-G95 PolarHBondContact O-N 2.96Å; S92-K139 PolarHBondContact O-NZ 3.33Å
93	Y	30.2	Very low	34.4	Very low	169 Å²	169	84.4 Å²	84.4	66%	0.663	43%	0.433	S	S	*	.	H	α-helix	trans	-64.7	-30.8	178.2	-158.5	-99.3	0	0	0	112.7	M90 G95 V96	M90-Y93 PolarHBondContact O-N 3.2Å; Y93-G95 PolarHBondContact O-N 3.39Å; Y93-V96 WeakPolarHBondContact O-CA 3.48Å; Y93-V96 PolarHBondContact O-N 3.28Å
94	M	32.1	Very low	34.6	Very low	38 Å²	38	82.8 Å²	82.8	19%	0.187	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-10.3	175.1	-75	-90.6	-82.8	0	0	115.6	M90 S92 V96 K98 L132 Y135	M90-M94 WeakPolarHBondContact O-CG 3.38Å; M90-M94 PolarHBondContact O-N 3.1Å; S92-M94 VanDerWaalsContact C-N 3.27Å; S92-M94 PolarHBondContact O-N 3.3Å; M94-V96 VanDerWaalsContact C-N 3.32Å; M94-K98 VanDerWaalsContact O-CG 3.3Å; M94-K98 WeakPolarHBondContact O-CG 3.46Å; M94-L132 HydrophobicContact CE-CD2 3.51Å; M94-L132 HydrophobicContact SD-CD2 3.58Å; M94-L132 VanDerWaalsContact SD-CD2 3.58Å; M94-Y135 HydrophobicContact CB-CD1 3.56Å; M94-Y135 HydrophobicContact CB-CE1 3.45Å; M94-Y135 VanDerWaalsContact CB-CE1 3.45Å; M94-Y135 HydrophobicContact CE-CD1 3.57Å; M94-Y135 HydrophobicContact CE-CD2 4.46Å; M94-Y135 HydrophobicContact CE-CE1 4.37Å; M94-Y135 HydrophobicContact CE-CG 3.63Å; M94-Y135 HydrophobicContact CG-CD1 4.25Å; M94-Y135 HydrophobicContact CG-CE1 4.28Å
95	G	31	Very low	34.3	Very low	2 Å²	2	78.1 Å²	78.1	2%	0.021	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-36.1	165.5	0	0	0	0	0	114.5	S92 Y93 N97 K139	S92-G95 PolarHBondContact O-N 2.96Å; Y93-G95 PolarHBondContact O-N 3.39Å; G95-N97 VanDerWaalsContact C-N 3.3Å; G95-N97 PolarHBondContact O-N 3.08Å; G95-K139 VanDerWaalsContact CA-CD 3.41Å
96	V	33.1	Very low	34.4	Very low	50 Å²	50	79.3 Å²	79.3	30%	0.303	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-47.9	176.4	178.8	0	0	0	0	113.4	Y93 M94 K98 K276	Y93-V96 WeakPolarHBondContact O-CA 3.48Å; Y93-V96 PolarHBondContact O-N 3.28Å; M94-V96 VanDerWaalsContact C-N 3.32Å; V96-K98 PolarHBondContact O-N 2.91Å; V96-K276 HydrophobicContact CB-CD 3.94Å; V96-K276 HydrophobicContact CG1-CD 3.82Å; V96-K276 HydrophobicContact CG2-CD 4.27Å
97	N	30.4	Very low	34.8	Very low	57 Å²	57	76.3 Å²	76.3	31%	0.305	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.6	-149.7	-152.7	9	0	0	0	114.2	G95 T99 I100 V101	G95-N97 VanDerWaalsContact C-N 3.3Å; G95-N97 PolarHBondContact O-N 3.08Å; N97-T99 PolarHBondContact O-N 3.18Å; N97-T99 VanDerWaalsContact O-N 3.08Å; N97-I100 PolarHBondContact O-N 3.49Å; N97-I100 VanDerWaalsContact O-N 3.09Å; N97-V101 HydrophobicContact CB-CG2 4.05Å; N97-V101 WeakPolarHBondContact ND2-CG2 3.43Å; N97-V101 WeakPolarHBondContact O-CG2 3.33Å; N97-V101 PolarHBondContact O-N 3.31Å; N97-V101 WeakPolarHBondContact OD1-CG2 3.33Å
98	K	36.3	Very low	34.7	Very low	13 Å²	13	73.1 Å²	73.1	6%	0.057	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-11.8	-162.8	-67.5	-174.6	179.4	-175.8	0	115.7	M94 V96 P102 S136 K139 W140	M94-K98 VanDerWaalsContact O-CG 3.3Å; M94-K98 WeakPolarHBondContact O-CG 3.46Å; V96-K98 PolarHBondContact O-N 2.91Å; K98-P102 WeakPolarHBondContact O-CD 3.38Å; K98-P102 WeakPolarHBondContact O-CG 3.47Å; K98-S136 WeakPolarHBondContact CB-OG 3.36Å; K98-S136 WeakPolarHBondContact CD-O 3.45Å; K98-S136 WeakPolarHBondContact CD-OG 3.45Å; K98-S136 WeakPolarHBondContact CE-O 3.4Å; K98-S136 WeakPolarHBondContact CG-OG 3.41Å; K98-S136 PolarHBondContact NZ-O 3.41Å; K98-K139 VanDerWaalsContact NZ-CA 3.29Å; K98-K139 VanDerWaalsContact NZ-CG 3.3Å; K98-W140 HydrophobicContact CB-CZ2 4.47Å; K98-W140 HydrophobicContact CD-CD2 4.07Å; K98-W140 HydrophobicContact CD-CG 3.78Å; K98-W140 HydrophobicContact CD-CZ2 4.24Å; K98-W140 VanDerWaalsContact NZ-CD1 3.33Å
99	T	37.8	Very low	34.7	Very low	99 Å²	99	70.6 Å²	70.6	61%	0.607	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-22.8	173.3	42.7	0	0	0	0	112.9	N97	N97-T99 PolarHBondContact O-N 3.18Å; N97-T99 VanDerWaalsContact O-N 3.08Å
100	I	36.4	Very low	35.1	Very low	92 Å²	92	71.8 Å²	71.8	47%	0.472	38%	0.375	S	S	.	.	H	α-helix	trans	-81.9	-42.9	179.6	-65.7	171.9	0	0	0	111	N97 N103 F104	N97-I100 PolarHBondContact O-N 3.49Å; N97-I100 VanDerWaalsContact O-N 3.09Å; I100-N103 PolarHBondContact O-N 3.02Å; I100-F104 PolarHBondContact O-N 3.08Å
101	V	34.4	Very low	35.2	Very low	21 Å²	21	73.3 Å²	73.3	13%	0.127	38%	0.381	C	S	.	.	H	α-helix	trans	-59.8	-45.5	-178.3	174.9	0	0	0	0	113.3	N97 N103 F104 C105 L132	N97-V101 HydrophobicContact CB-CG2 4.05Å; N97-V101 WeakPolarHBondContact ND2-CG2 3.43Å; N97-V101 WeakPolarHBondContact O-CG2 3.33Å; N97-V101 PolarHBondContact O-N 3.31Å; N97-V101 WeakPolarHBondContact OD1-CG2 3.33Å; V101-N103 VanDerWaalsContact C-N 3.26Å; V101-N103 PolarHBondContact O-N 3.27Å; V101-F104 PolarHBondContact O-N 3.41Å; V101-C105 WeakPolarHBondContact O-CB 3.47Å; V101-C105 PolarHBondContact O-N 2.98Å; V101-L132 HydrophobicContact CG1-CB 3.91Å; V101-L132 HydrophobicContact CG1-CD1 3.76Å; V101-L132 HydrophobicContact CG1-CG 4.39Å
102	P	34.5	Very low	35	Very low	65 Å²	65	71.9 Å²	71.9	42%	0.422	38%	0.375	S	S	.	.	H	α-helix	trans	-56.3	-41.8	176.6	-25	34.7	0	0	0	112.3	K98 M106	K98-P102 WeakPolarHBondContact O-CD 3.38Å; K98-P102 WeakPolarHBondContact O-CG 3.47Å; P102-M106 VanDerWaalsContact O-CG 3.28Å; P102-M106 WeakPolarHBondContact O-CG 3.34Å; P102-M106 PolarHBondContact O-N 3.39Å
103	N	39.9	Very low	35.3	Very low	117 Å²	117	72.8 Å²	72.8	63%	0.626	38%	0.381	S	S	*	.	H	α-helix	trans	-67.5	-42.9	179.2	-70.9	-16.9	0	0	0	111.9	I100 V101 T107	I100-N103 PolarHBondContact O-N 3.02Å; V101-N103 VanDerWaalsContact C-N 3.26Å; V101-N103 PolarHBondContact O-N 3.27Å; N103-T107 PolarHBondContact O-N 3.34Å; N103-T107 VanDerWaalsContact O-N 3.16Å; N103-T107 PolarHBondContact O-OG1 3.08Å; N103-T107 VanDerWaalsContact O-OG1 3.09Å
104	F	36.3	Very low	36	Very low	118 Å²	118	68.5 Å²	68.5	52%	0.518	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-46	177.8	178.4	-101	0	0	0	113.2	I100 V101 M106 T107 M108	I100-F104 PolarHBondContact O-N 3.08Å; V101-F104 PolarHBondContact O-N 3.41Å; F104-M106 VanDerWaalsContact C-N 3.29Å; F104-M106 PolarHBondContact O-N 3.03Å; F104-T107 PolarHBondContact O-N 2.85Å; F104-T107 VanDerWaalsContact O-N 3.15Å; F104-M108 HydrophobicContact CD1-CG 4.14Å; F104-M108 HydrophobicContact CD2-CG 4.26Å; F104-M108 HydrophobicContact CE1-CG 3.64Å; F104-M108 HydrophobicContact CE2-CG 3.78Å; F104-M108 HydrophobicContact CE2-SD 4.13Å; F104-M108 HydrophobicContact CG-CG 4.44Å; F104-M108 HydrophobicContact CZ-CE 4.45Å; F104-M108 HydrophobicContact CZ-CG 3.44Å; F104-M108 VanDerWaalsContact CZ-CG 3.44Å; F104-M108 HydrophobicContact CZ-SD 3.88Å; F104-M108 PolarHBondContact O-N 2.98Å
105	C	32.7	Very low	36.2	Very low	15 Å²	15	75.8 Å²	75.8	10%	0.101	41%	0.406	C	S	.	.	H	α-helix	trans	-58.9	-40.9	177.6	-83.9	0	0	0	0	111.3	V101 M108 L109 C129	V101-C105 WeakPolarHBondContact O-CB 3.47Å; V101-C105 PolarHBondContact O-N 2.98Å; C105-M108 PolarHBondContact O-N 2.99Å; C105-L109 WeakPolarHBondContact O-CB 3.42Å; C105-L109 WeakPolarHBondContact O-CG 3.31Å; C105-L109 PolarHBondContact O-N 2.97Å; C105-C129 HydrophobicContact CB-CB 4.1Å; C105-C129 WeakPolarHBondContact CB-SG 3.19Å; C105-C129 WeakPolarHBondContact SG-CB 3.2Å; C105-C129 CovalentContact SG-SG 2.06Å; C105-C129 PolarHBondContact SG-SG 3.26Å
106	M	39.5	Very low	36.8	Very low	112 Å²	112	84.3 Å²	84.3	55%	0.552	45%	0.451	S	S	*	.	H	α-helix	trans	-63.4	-43.1	175.3	-72.5	-60.3	-63.5	0	0	112.3	P102 F104 Q110	P102-M106 VanDerWaalsContact O-CG 3.28Å; P102-M106 WeakPolarHBondContact O-CG 3.34Å; P102-M106 PolarHBondContact O-N 3.39Å; F104-M106 VanDerWaalsContact C-N 3.29Å; F104-M106 PolarHBondContact O-N 3.03Å; M106-Q110 VanDerWaalsContact O-CG 3.26Å; M106-Q110 WeakPolarHBondContact O-CG 3.23Å; M106-Q110 PolarHBondContact O-N 3.45Å; M106-Q110 VanDerWaalsContact O-N 3.16Å
107	T	41.5	Very low	36.7	Very low	68 Å²	68	87.5 Å²	87.5	42%	0.417	46%	0.458	S	S	.	.	H	α-helix	trans	-64.4	-43.6	177	-56.2	0	0	0	0	112.3	N103 F104 Q110 Q111	N103-T107 PolarHBondContact O-N 3.34Å; N103-T107 VanDerWaalsContact O-N 3.16Å; N103-T107 PolarHBondContact O-OG1 3.08Å; N103-T107 VanDerWaalsContact O-OG1 3.09Å; F104-T107 PolarHBondContact O-N 2.85Å; F104-T107 VanDerWaalsContact O-N 3.15Å; T107-Q110 PolarHBondContact O-N 2.72Å; T107-Q111 WeakPolarHBondContact O-CG 3.38Å; T107-Q111 PolarHBondContact O-N 3.44Å; T107-Q111 VanDerWaalsContact O-N 3.08Å
108	M	33.2	Very low	37.2	Very low	53 Å²	53	89.2 Å²	89.2	26%	0.261	47%	0.467	S	S	.	.	H	α-helix	trans	-68	-40.3	-179	-74.1	-66.6	-71.5	0	0	112.4	F104 C105 Q111 S112	F104-M108 HydrophobicContact CD1-CG 4.14Å; F104-M108 HydrophobicContact CD2-CG 4.26Å; F104-M108 HydrophobicContact CE1-CG 3.64Å; F104-M108 HydrophobicContact CE2-CG 3.78Å; F104-M108 HydrophobicContact CE2-SD 4.13Å; F104-M108 HydrophobicContact CG-CG 4.44Å; F104-M108 HydrophobicContact CZ-CE 4.45Å; F104-M108 HydrophobicContact CZ-CG 3.44Å; F104-M108 VanDerWaalsContact CZ-CG 3.44Å; F104-M108 HydrophobicContact CZ-SD 3.88Å; F104-M108 PolarHBondContact O-N 2.98Å; C105-M108 PolarHBondContact O-N 2.99Å; M108-Q111 PolarHBondContact O-N 3.44Å; M108-S112 WeakPolarHBondContact O-CB 3.44Å; M108-S112 PolarHBondContact O-N 3.13Å
109	L	38	Very low	37.9	Very low	75 Å²	75	95.8 Å²	95.8	39%	0.393	50%	0.496	S	S	.	.	H	α-helix	trans	-61.5	-43.9	174.5	-77.3	167.3	0	0	0	111.4	C105 Q111 S112 S113	C105-L109 WeakPolarHBondContact O-CB 3.42Å; C105-L109 WeakPolarHBondContact O-CG 3.31Å; C105-L109 PolarHBondContact O-N 2.97Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.48Å; L109-S112 PolarHBondContact O-N 3.15Å; L109-S112 PolarHBondContact O-OG 3.47Å; L109-S113 PolarHBondContact O-N 3.45Å; L109-S113 PolarHBondContact O-OG 3.43Å
110	Q	41.4	Very low	38.3	Very low	126 Å²	126	96.3 Å²	96.3	59%	0.589	49%	0.494	S	S	*	.	H	α-helix	trans	-61.2	-37.8	176.2	-74.1	172.3	-16.9	0	0	112.9	M106 T107 S113	M106-Q110 VanDerWaalsContact O-CG 3.26Å; M106-Q110 WeakPolarHBondContact O-CG 3.23Å; M106-Q110 PolarHBondContact O-N 3.45Å; M106-Q110 VanDerWaalsContact O-N 3.16Å; T107-Q110 PolarHBondContact O-N 2.72Å; Q110-S113 PolarHBondContact O-OG 3.27Å
111	Q	35.1	Very low	38.3	Very low	122 Å²	122	95.7 Å²	95.7	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-73.6	-34.1	175.7	-70.2	-170.4	1.5	0	0	112.9	T107 M108 L109 S113 A114	T107-Q111 WeakPolarHBondContact O-CG 3.38Å; T107-Q111 PolarHBondContact O-N 3.44Å; T107-Q111 VanDerWaalsContact O-N 3.08Å; M108-Q111 PolarHBondContact O-N 3.44Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.48Å; Q111-S113 VanDerWaalsContact C-N 3.3Å; Q111-S113 PolarHBondContact O-N 3.35Å; Q111-A114 WeakPolarHBondContact O-CB 3.31Å; Q111-A114 PolarHBondContact O-N 3.08Å; Q111-A114 VanDerWaalsContact O-N 3.08Å
112	S	29.4	Very low	38.4	Very low	16 Å²	16	97.9 Å²	97.9	11%	0.112	50%	0.5	C	S	.	.	H	α-helix	trans	-66.4	-29.4	-179.2	76.6	0	0	0	0	113.5	M108 L109 A114	M108-S112 WeakPolarHBondContact O-CB 3.44Å; M108-S112 PolarHBondContact O-N 3.13Å; L109-S112 PolarHBondContact O-N 3.15Å; L109-S112 PolarHBondContact O-OG 3.47Å; S112-A114 VanDerWaalsContact C-N 3.29Å
113	S	39.2	Very low	38.8	Very low	100 Å²	100	99 Å²	99	70%	0.699	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.1	173.3	46.6	0	0	0	0	113.5	L109 Q110 Q111	L109-S113 PolarHBondContact O-N 3.45Å; L109-S113 PolarHBondContact O-OG 3.43Å; Q110-S113 PolarHBondContact O-OG 3.27Å; Q111-S113 VanDerWaalsContact C-N 3.3Å; Q111-S113 PolarHBondContact O-N 3.35Å
114	A	43.1	Very low	38.9	Very low	79 Å²	79	99 Å²	99	65%	0.653	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-13.1	-172.9	0	0	0	0	0	114.1	Q111 S112	Q111-A114 WeakPolarHBondContact O-CB 3.31Å; Q111-A114 PolarHBondContact O-N 3.08Å; Q111-A114 VanDerWaalsContact O-N 3.08Å; S112-A114 VanDerWaalsContact C-N 3.29Å
115	R	36.1	Very low	38.9	Very low	192 Å²	192	95.3 Å²	95.3	73%	0.725	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138	137.3	-179.9	-65.5	-175.3	-178.2	-174.8	0.5	108.3	W117	R115-W117 PolarHBondContact O-N 3.29Å
116	N	44.4	Very low	39.3	Very low	181 Å²	181	96.7 Å²	96.7	97%	0.968	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	77.5	-178.8	-78.5	-20.1	0	0	0	112.5
117	W	30.5	Very low	39.3	Very low	117 Å²	117	99.6 Å²	99.6	44%	0.443	51%	0.507	S	S	.	.			trans	-84.2	149.1	177.6	-79.8	41.8	0	0	0	110.7	R115 I121 Q122 I125	R115-W117 PolarHBondContact O-N 3.29Å; W117-I121 HydrophobicContact CE3-CB 4.41Å; W117-I121 HydrophobicContact CE3-CG2 3.6Å; W117-I121 HydrophobicContact CZ3-CG2 3.72Å; W117-Q122 HydrophobicContact CB-CG 4.32Å; W117-I125 HydrophobicContact CZ3-CD1 4.3Å
118	D	42.1	Very low	39	Very low	93 Å²	93	97.8 Å²	97.8	50%	0.497	50%	0.502	S	S	.	.			trans	-60.1	135.5	174.4	-175.6	-76.5	0	0	0	111.2	N120 I121 Q122	D118-N120 VanDerWaalsContact C-N 3.26Å; D118-N120 PolarHBondContact O-N 3.48Å; D118-N120 VanDerWaalsContact OD1-CB 3.32Å; D118-N120 WeakPolarHBondContact OD1-CB 3.48Å; D118-N120 PolarHBondContact OD1-N 3.19Å; D118-I121 HydrophobicContact CB-CD1 4.08Å; D118-I121 HydrophobicContact CB-CG1 4.23Å; D118-I121 PolarHBondContact O-N 3.46Å; D118-I121 VanDerWaalsContact O-N 3.11Å; D118-Q122 PolarHBondContact O-N 3.34Å
119	K	49.9	Very low	39.3	Very low	151 Å²	151	96.4 Å²	96.4	66%	0.657	50%	0.497	S	S	*	.	H	α-helix	trans	-61.6	-30.2	-173.8	-167.8	176	-177.6	179.1	0	113.2	N123	K119-N123 PolarHBondContact O-N 3.19Å; K119-N123 VanDerWaalsContact O-N 3.15Å; K119-N123 PolarHBondContact O-ND2 3.2Å
120	N	46.4	Very low	39.5	Very low	109 Å²	109	98 Å²	98	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-70.3	-35.9	177.5	-71.8	-29.1	0	0	0	111.7	D118 N123 N124	D118-N120 VanDerWaalsContact C-N 3.26Å; D118-N120 PolarHBondContact O-N 3.48Å; D118-N120 VanDerWaalsContact OD1-CB 3.32Å; D118-N120 WeakPolarHBondContact OD1-CB 3.48Å; D118-N120 PolarHBondContact OD1-N 3.19Å; N120-N123 PolarHBondContact O-N 3.08Å; N120-N124 VanDerWaalsContact O-CG 3.29Å; N120-N124 PolarHBondContact O-N 3.23Å; N120-N124 VanDerWaalsContact O-N 3.09Å; N120-N124 PolarHBondContact O-ND2 3.04Å
121	I	36.9	Very low	39.4	Very low	80 Å²	80	95.4 Å²	95.4	41%	0.41	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-41.9	177.4	-58.7	176.9	0	0	0	110.1	W117 D118 N124 I125	W117-I121 HydrophobicContact CE3-CB 4.41Å; W117-I121 HydrophobicContact CE3-CG2 3.6Å; W117-I121 HydrophobicContact CZ3-CG2 3.72Å; D118-I121 HydrophobicContact CB-CD1 4.08Å; D118-I121 HydrophobicContact CB-CG1 4.23Å; D118-I121 PolarHBondContact O-N 3.46Å; D118-I121 VanDerWaalsContact O-N 3.11Å; I121-N124 PolarHBondContact O-N 3.35Å; I121-I125 HydrophobicContact CG2-CD1 3.99Å; I121-I125 VanDerWaalsContact O-CG1 3.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.25Å; I121-I125 PolarHBondContact O-N 3.13Å; I121-I125 VanDerWaalsContact O-N 3.11Å
122	Q	36	Very low	39.5	Very low	67 Å²	67	92.4 Å²	92.4	31%	0.313	48%	0.482	S	S	.	.	H	α-helix	trans	-61.8	-44.7	176.8	-67.3	178.3	-9.2	0	0	112.3	W117 D118 N124 I125 A126	W117-Q122 HydrophobicContact CB-CG 4.32Å; D118-Q122 PolarHBondContact O-N 3.34Å; Q122-N124 PolarHBondContact O-N 2.95Å; Q122-I125 PolarHBondContact O-N 3.36Å; Q122-A126 PolarHBondContact O-N 3.38Å
123	N	43.6	Very low	40.1	Very low	89 Å²	89	97.7 Å²	97.7	48%	0.476	50%	0.503	S	S	.	.	H	α-helix	trans	-64.5	-40.3	178.6	-73.1	-19.7	0	0	0	112.5	K119 N120 I125 A126 Y127	K119-N123 PolarHBondContact O-N 3.19Å; K119-N123 VanDerWaalsContact O-N 3.15Å; K119-N123 PolarHBondContact O-ND2 3.2Å; N120-N123 PolarHBondContact O-N 3.08Å; N123-I125 VanDerWaalsContact C-N 3.34Å; N123-I125 PolarHBondContact O-N 3.02Å; N123-A126 PolarHBondContact O-N 3.32Å; N123-Y127 WeakPolarHBondContact O-CB 3.37Å; N123-Y127 PolarHBondContact O-N 3.13Å
124	N	41.1	Very low	40.2	Very low	116 Å²	116	99.4 Å²	99.4	62%	0.62	50%	0.498	S	S	*	.	H	α-helix	trans	-64.6	-38.1	177	-73.2	-18.9	0	0	0	112.1	N120 I121 Q122 G128	N120-N124 VanDerWaalsContact O-CG 3.29Å; N120-N124 PolarHBondContact O-N 3.23Å; N120-N124 VanDerWaalsContact O-N 3.09Å; N120-N124 PolarHBondContact O-ND2 3.04Å; I121-N124 PolarHBondContact O-N 3.35Å; Q122-N124 PolarHBondContact O-N 2.95Å; N124-G128 PolarHBondContact O-N 3.41Å
125	I	35.9	Very low	39.9	Very low	40 Å²	40	98.5 Å²	98.5	21%	0.205	48%	0.478	C	S	.	.	H	α-helix	trans	-65.1	-46.3	175.6	-68.6	167	0	0	0	110.8	W117 I121 Q122 N123 Y127 G128 C129	W117-I125 HydrophobicContact CZ3-CD1 4.3Å; I121-I125 HydrophobicContact CG2-CD1 3.99Å; I121-I125 VanDerWaalsContact O-CG1 3.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.25Å; I121-I125 PolarHBondContact O-N 3.13Å; I121-I125 VanDerWaalsContact O-N 3.11Å; Q122-I125 PolarHBondContact O-N 3.36Å; N123-I125 VanDerWaalsContact C-N 3.34Å; N123-I125 PolarHBondContact O-N 3.02Å; I125-Y127 PolarHBondContact O-N 3.03Å; I125-G128 PolarHBondContact O-N 2.93Å; I125-C129 PolarHBondContact O-N 2.94Å; I125-C129 PolarHBondContact O-SG 2.89Å
126	A	42.6	Very low	40.1	Very low	45 Å²	45	90.2 Å²	90.2	37%	0.372	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-45	179	0	0	0	0	0	112	Q122 N123 C129 E130	Q122-A126 PolarHBondContact O-N 3.38Å; N123-A126 PolarHBondContact O-N 3.32Å; A126-C129 PolarHBondContact O-N 3.31Å; A126-E130 PolarHBondContact O-N 3.42Å; A126-E130 VanDerWaalsContact O-N 3.12Å
127	Y	39.5	Very low	40	Very low	173 Å²	173	86.4 Å²	86.4	68%	0.678	43%	0.429	S	S	*	.	H	α-helix	trans	-61.6	-45	176.5	-177.8	-102.8	0	0	0	112	N123 I125 C129 E130 V131	N123-Y127 WeakPolarHBondContact O-CB 3.37Å; N123-Y127 PolarHBondContact O-N 3.13Å; I125-Y127 PolarHBondContact O-N 3.03Å; Y127-C129 PolarHBondContact O-N 3.41Å; Y127-E130 PolarHBondContact O-N 3.25Å; Y127-V131 HydrophobicContact CD1-CG2 4.45Å; Y127-V131 HydrophobicContact CE1-CG2 4.04Å; Y127-V131 HydrophobicContact CE2-CG2 4.39Å; Y127-V131 WeakPolarHBondContact O-CG2 3.08Å; Y127-V131 PolarHBondContact O-N 3.26Å; Y127-V131 VanDerWaalsContact O-N 3.15Å
128	G	34.9	Very low	40.3	Very low	30 Å²	30	90.3 Å²	90.3	31%	0.309	44%	0.444	S	S	.	.	H	α-helix	trans	-58.5	-43.7	175.7	0	0	0	0	0	113	N124 I125 E130 V131 L132	N124-G128 PolarHBondContact O-N 3.41Å; I125-G128 PolarHBondContact O-N 2.93Å; G128-E130 PolarHBondContact O-N 3.02Å; G128-V131 PolarHBondContact O-N 3.34Å; G128-L132 WeakPolarHBondContact O-CD1 3.43Å; G128-L132 WeakPolarHBondContact O-CG 3.37Å; G128-L132 PolarHBondContact O-N 2.95Å; G128-L132 VanDerWaalsContact O-N 3.1Å
129	C	39.4	Very low	40	Very low	24 Å²	24	89.6 Å²	89.6	16%	0.162	44%	0.437	C	S	.	.	H	α-helix	trans	-65.5	-37.7	178	-72.6	0	0	0	0	113	C105 I125 A126 Y127 L132 K133	C105-C129 HydrophobicContact CB-CB 4.1Å; C105-C129 WeakPolarHBondContact CB-SG 3.19Å; C105-C129 WeakPolarHBondContact SG-CB 3.2Å; C105-C129 CovalentContact SG-SG 2.06Å; C105-C129 PolarHBondContact SG-SG 3.26Å; I125-C129 PolarHBondContact O-N 2.94Å; I125-C129 PolarHBondContact O-SG 2.89Å; A126-C129 PolarHBondContact O-N 3.31Å; Y127-C129 PolarHBondContact O-N 3.41Å; C129-L132 PolarHBondContact O-N 3.2Å; C129-K133 WeakPolarHBondContact O-CB 3.46Å; C129-K133 PolarHBondContact O-N 2.85Å
130	E	43.1	Very low	39.5	Very low	108 Å²	108	87.2 Å²	87.2	51%	0.505	42%	0.424	S	S	.	.	H	α-helix	trans	-66.6	-41.2	177.3	-82.7	-63.5	135.2	0	0	112.8	A126 Y127 G128 K133 K134	A126-E130 PolarHBondContact O-N 3.42Å; A126-E130 VanDerWaalsContact O-N 3.12Å; Y127-E130 PolarHBondContact O-N 3.25Å; G128-E130 PolarHBondContact O-N 3.02Å; E130-K133 PolarHBondContact O-N 2.62Å; E130-K134 PolarHBondContact O-N 3.39Å
131	V	38.7	Very low	39.1	Very low	72 Å²	72	83.6 Å²	83.6	44%	0.436	41%	0.412	S	S	.	.	H	α-helix	trans	-63.4	-45.4	175.6	174.5	0	0	0	0	110.7	Y127 G128 K133 K134 Y135	Y127-V131 HydrophobicContact CD1-CG2 4.45Å; Y127-V131 HydrophobicContact CE1-CG2 4.04Å; Y127-V131 HydrophobicContact CE2-CG2 4.39Å; Y127-V131 WeakPolarHBondContact O-CG2 3.08Å; Y127-V131 PolarHBondContact O-N 3.26Å; Y127-V131 VanDerWaalsContact O-N 3.15Å; G128-V131 PolarHBondContact O-N 3.34Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 3.43Å; V131-K134 PolarHBondContact O-N 3.11Å; V131-Y135 PolarHBondContact O-N 2.99Å
132	L	36.6	Very low	38.9	Very low	58 Å²	58	82.6 Å²	82.6	30%	0.304	42%	0.416	S	S	.	.	H	α-helix	trans	-61.3	-38.8	178.7	-70.7	168.5	0	0	0	112.4	M94 V101 G128 C129 Y135 S136	M94-L132 HydrophobicContact CE-CD2 3.51Å; M94-L132 HydrophobicContact SD-CD2 3.58Å; M94-L132 VanDerWaalsContact SD-CD2 3.58Å; V101-L132 HydrophobicContact CG1-CB 3.91Å; V101-L132 HydrophobicContact CG1-CD1 3.76Å; V101-L132 HydrophobicContact CG1-CG 4.39Å; G128-L132 WeakPolarHBondContact O-CD1 3.43Å; G128-L132 WeakPolarHBondContact O-CG 3.37Å; G128-L132 PolarHBondContact O-N 2.95Å; G128-L132 VanDerWaalsContact O-N 3.1Å; C129-L132 PolarHBondContact O-N 3.2Å; L132-Y135 PolarHBondContact O-N 3Å; L132-S136 PolarHBondContact O-N 3.5Å; L132-S136 VanDerWaalsContact O-N 3.08Å
133	K	42.2	Very low	39.1	Very low	128 Å²	128	84.1 Å²	84.1	56%	0.557	42%	0.419	S	S	*	.	H	α-helix	trans	-66.3	-43.2	178.4	-171.4	176.9	179.2	-177.1	0	112.3	C129 E130 V131 Y135 S136 N137	C129-K133 WeakPolarHBondContact O-CB 3.46Å; C129-K133 PolarHBondContact O-N 2.85Å; E130-K133 PolarHBondContact O-N 2.62Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 3.43Å; K133-Y135 VanDerWaalsContact C-N 3.33Å; K133-Y135 PolarHBondContact O-N 3.44Å; K133-S136 WeakPolarHBondContact O-CB 3.42Å; K133-S136 PolarHBondContact O-N 3.5Å; K133-N137 PolarHBondContact O-N 3.49Å
134	K	42.3	Very low	38.9	Very low	136 Å²	136	83.2 Å²	83.2	59%	0.591	42%	0.416	S	S	*	.	H	α-helix	trans	-61	-43.3	176.6	-76.5	-177.2	178.9	178.1	0	111.8	E130 V131 S136 N137 W138	E130-K134 PolarHBondContact O-N 3.39Å; V131-K134 PolarHBondContact O-N 3.11Å; K134-S136 VanDerWaalsContact C-N 3.35Å; K134-S136 PolarHBondContact O-N 3.44Å; K134-N137 PolarHBondContact O-N 2.7Å; K134-W138 PolarHBondContact O-N 3.35Å
135	Y	35	Very low	38.9	Very low	59 Å²	59	82.5 Å²	82.5	23%	0.231	41%	0.412	C	S	.	.	H	α-helix	trans	-66	-37.4	179.7	-159.4	-85.8	0	0	0	112.8	D91 M94 V131 L132 K133 N137	D91-Y135 VanDerWaalsContact CA-OH 3.24Å; D91-Y135 WeakPolarHBondContact CA-OH 3.48Å; D91-Y135 HydrophobicContact CB-CE1 4.48Å; D91-Y135 HydrophobicContact CB-CE2 4.11Å; D91-Y135 WeakPolarHBondContact CB-OH 3.32Å; D91-Y135 WeakPolarHBondContact O-CE1 3.46Å; D91-Y135 VanDerWaalsContact O-CZ 3.26Å; D91-Y135 PolarHBondContact O-OH 3.07Å; D91-Y135 VanDerWaalsContact OD1-CE2 3.25Å; D91-Y135 WeakPolarHBondContact OD1-CE2 3.23Å; M94-Y135 HydrophobicContact CB-CD1 3.56Å; M94-Y135 HydrophobicContact CB-CE1 3.45Å; M94-Y135 VanDerWaalsContact CB-CE1 3.45Å; M94-Y135 HydrophobicContact CE-CD1 3.57Å; M94-Y135 HydrophobicContact CE-CD2 4.46Å; M94-Y135 HydrophobicContact CE-CE1 4.37Å; M94-Y135 HydrophobicContact CE-CG 3.63Å; M94-Y135 HydrophobicContact CG-CD1 4.25Å; M94-Y135 HydrophobicContact CG-CE1 4.28Å; V131-Y135 PolarHBondContact O-N 2.99Å; L132-Y135 PolarHBondContact O-N 3Å; K133-Y135 VanDerWaalsContact C-N 3.33Å; K133-Y135 PolarHBondContact O-N 3.44Å; Y135-N137 VanDerWaalsContact C-N 3.34Å; Y135-N137 PolarHBondContact O-N 3.2Å
136	S	40.6	Very low	39.1	Very low	19 Å²	19	85.4 Å²	85.4	13%	0.133	43%	0.428	C	S	.	.	H	α-helix	trans	-56.6	-45.7	173.4	-178	0	0	0	0	112.6	K98 L132 K133 K134 W140	K98-S136 WeakPolarHBondContact CB-OG 3.36Å; K98-S136 WeakPolarHBondContact CD-O 3.45Å; K98-S136 WeakPolarHBondContact CD-OG 3.45Å; K98-S136 WeakPolarHBondContact CE-O 3.4Å; K98-S136 WeakPolarHBondContact CG-OG 3.41Å; K98-S136 PolarHBondContact NZ-O 3.41Å; L132-S136 PolarHBondContact O-N 3.5Å; L132-S136 VanDerWaalsContact O-N 3.08Å; K133-S136 WeakPolarHBondContact O-CB 3.42Å; K133-S136 PolarHBondContact O-N 3.5Å; K134-S136 VanDerWaalsContact C-N 3.35Å; K134-S136 PolarHBondContact O-N 3.44Å; S136-W140 PolarHBondContact O-N 3.29Å
137	N	42.4	Very low	38.9	Very low	100 Å²	100	87.1 Å²	87.1	54%	0.535	43%	0.431	S	S	.	.	H	α-helix	trans	-66.1	-42.2	-175.7	-70.2	-16.5	0	0	0	112.6	K133 K134 Y135 W140 G141	K133-N137 PolarHBondContact O-N 3.49Å; K134-N137 PolarHBondContact O-N 2.7Å; Y135-N137 VanDerWaalsContact C-N 3.34Å; Y135-N137 PolarHBondContact O-N 3.2Å; N137-W140 PolarHBondContact O-N 2.89Å; N137-G141 PolarHBondContact O-N 3.21Å
138	W	37	Very low	38.9	Very low	200 Å²	200	82.7 Å²	82.7	76%	0.758	42%	0.419	S	S	*	.	H	α-helix	trans	-64.5	-47.6	-177.3	-70.4	-7.9	0	0	0	113.2	K134 W140 G141 A142	K134-W138 PolarHBondContact O-N 3.35Å; W138-W140 VanDerWaalsContact C-N 3.28Å; W138-W140 PolarHBondContact O-N 3.18Å; W138-G141 PolarHBondContact O-N 2.95Å; W138-A142 PolarHBondContact O-N 2.68Å
139	K	36.8	Very low	39.1	Very low	77 Å²	77	87.1 Å²	87.1	34%	0.335	43%	0.433	S	S	.	.	H	α-helix	trans	-70.6	-22.1	-177.1	167.7	172.7	-177.1	166.4	0	113.3	S92 G95 K98	S92-K139 PolarHBondContact O-NZ 3.33Å; G95-K139 VanDerWaalsContact CA-CD 3.41Å; K98-K139 VanDerWaalsContact NZ-CA 3.29Å; K98-K139 VanDerWaalsContact NZ-CG 3.3Å
140	W	39.6	Very low	39.1	Very low	101 Å²	101	89.4 Å²	89.4	38%	0.383	45%	0.446	S	S	.	.	H	α-helix	trans	-90.3	-36	177.5	-79.8	140.4	0	0	0	109.4	K98 S136 N137 W138 A142 R143 T144	K98-W140 HydrophobicContact CB-CZ2 4.47Å; K98-W140 HydrophobicContact CD-CD2 4.07Å; K98-W140 HydrophobicContact CD-CG 3.78Å; K98-W140 HydrophobicContact CD-CZ2 4.24Å; K98-W140 VanDerWaalsContact NZ-CD1 3.33Å; S136-W140 PolarHBondContact O-N 3.29Å; N137-W140 PolarHBondContact O-N 2.89Å; W138-W140 VanDerWaalsContact C-N 3.28Å; W138-W140 PolarHBondContact O-N 3.18Å; W140-A142 VanDerWaalsContact C-N 3.27Å; W140-A142 PolarHBondContact O-N 2.61Å; W140-R143 HydrophobicContact CE3-CB 4.25Å; W140-R143 PolarHBondContact O-N 3.09Å; W140-T144 WeakPolarHBondContact O-CB 3.26Å; W140-T144 PolarHBondContact O-N 3.44Å; W140-T144 PolarHBondContact O-OG1 2.99Å
141	G	37.4	Very low	38.7	Very low	33 Å²	33	88.4 Å²	88.4	34%	0.34	44%	0.443	S	S	.	.	H	α-helix	trans	-55.2	-41.2	172.1	0	0	0	0	0	113	N137 W138 N145	N137-G141 PolarHBondContact O-N 3.21Å; W138-G141 PolarHBondContact O-N 2.95Å; G141-N145 PolarHBondContact O-N 3.08Å
142	A	32.8	Very low	38.6	Very low	59 Å²	59	91.1 Å²	91.1	49%	0.488	45%	0.451	S	S	.	.	H	α-helix	trans	-65.6	-38.8	174.5	0	0	0	0	0	113.3	W138 W140 N145 L146	W138-A142 PolarHBondContact O-N 2.68Å; W140-A142 VanDerWaalsContact C-N 3.27Å; W140-A142 PolarHBondContact O-N 2.61Å; A142-N145 PolarHBondContact O-N 3.45Å; A142-L146 PolarHBondContact O-N 3.41Å
143	R	39.1	Very low	38.5	Very low	100 Å²	100	95.1 Å²	95.1	38%	0.377	46%	0.462	S	S	.	.	H	α-helix	trans	-71.6	-42.6	178.3	-158.6	175.5	-158.3	177.7	7.3	111.7	W140 N145 L146 D147 E272	W140-R143 HydrophobicContact CE3-CB 4.25Å; W140-R143 PolarHBondContact O-N 3.09Å; R143-N145 PolarHBondContact O-N 3.01Å; R143-L146 WeakPolarHBondContact O-CB 3.32Å; R143-L146 PolarHBondContact O-N 3.47Å; R143-D147 VanDerWaalsContact O-CG 3.28Å; R143-D147 PolarHBondContact O-N 3.1Å; R143-E272 IonicContact NH2-OE2 3.69Å
144	T	41	Very low	38.1	Very low	69 Å²	69	93 Å²	93	42%	0.423	46%	0.456	S	S	.	.	H	α-helix	trans	-56.5	-37.9	171.3	-56.9	0	0	0	0	111.2	W140 D147 L148	W140-T144 WeakPolarHBondContact O-CB 3.26Å; W140-T144 PolarHBondContact O-N 3.44Å; W140-T144 PolarHBondContact O-OG1 2.99Å; T144-D147 PolarHBondContact O-N 3.15Å; T144-L148 HydrophobicContact CG2-CD1 3.86Å; T144-L148 HydrophobicContact CG2-CG 4.14Å; T144-L148 WeakPolarHBondContact O-CB 3.38Å; T144-L148 WeakPolarHBondContact O-CG 3Å; T144-L148 PolarHBondContact O-N 3.29Å
145	N	41.2	Very low	37.7	Very low	101 Å²	101	91.1 Å²	91.1	54%	0.54	46%	0.457	S	S	.	.	H	α-helix	trans	-65.5	-40	174.4	-75.2	-16.7	0	0	0	112.9	G141 A142 R143 L148 M149	G141-N145 PolarHBondContact O-N 3.08Å; A142-N145 PolarHBondContact O-N 3.45Å; R143-N145 PolarHBondContact O-N 3.01Å; N145-L148 PolarHBondContact O-N 3.38Å; N145-M149 WeakPolarHBondContact O-CB 3.24Å; N145-M149 VanDerWaalsContact O-CG 3.24Å; N145-M149 WeakPolarHBondContact O-CG 3.35Å; N145-M149 PolarHBondContact O-N 3.05Å
146	L	38.7	Very low	37.5	Very low	101 Å²	101	90.3 Å²	90.3	53%	0.529	47%	0.466	S	S	.	.	H	α-helix	trans	-66.3	-42.7	174.1	-88.4	161.7	0	0	0	112.2	A142 R143 L148 M149 T150	A142-L146 PolarHBondContact O-N 3.41Å; R143-L146 WeakPolarHBondContact O-CB 3.32Å; R143-L146 PolarHBondContact O-N 3.47Å; L146-L148 VanDerWaalsContact C-N 3.35Å; L146-M149 PolarHBondContact O-N 3.47Å; L146-T150 WeakPolarHBondContact O-CB 3.28Å; L146-T150 PolarHBondContact O-N 3.12Å; L146-T150 PolarHBondContact O-OG1 3.34Å
147	D	37.7	Very low	37.2	Very low	82 Å²	82	93.6 Å²	93.6	44%	0.439	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-41.8	175.5	-63.6	-28.2	0	0	0	110.3	R143 T144 T150 I151	R143-D147 VanDerWaalsContact O-CG 3.28Å; R143-D147 PolarHBondContact O-N 3.1Å; T144-D147 PolarHBondContact O-N 3.15Å; D147-T150 CarbonylContact O-C 3.59Å; D147-T150 PolarHBondContact O-N 3Å; D147-I151 WeakPolarHBondContact O-CB 3.41Å; D147-I151 WeakPolarHBondContact O-CD1 3.31Å; D147-I151 WeakPolarHBondContact O-CG1 3.48Å; D147-I151 PolarHBondContact O-N 3.34Å
148	L	39.6	Very low	36.9	Very low	80 Å²	80	93.1 Å²	93.1	42%	0.419	49%	0.487	S	S	.	.	H	α-helix	trans	-66.1	-39.7	175	-76.6	172.4	0	0	0	112.2	T144 N145 L146 T150 I151 Q152	T144-L148 HydrophobicContact CG2-CD1 3.86Å; T144-L148 HydrophobicContact CG2-CG 4.14Å; T144-L148 WeakPolarHBondContact O-CB 3.38Å; T144-L148 WeakPolarHBondContact O-CG 3Å; T144-L148 PolarHBondContact O-N 3.29Å; N145-L148 PolarHBondContact O-N 3.38Å; L146-L148 VanDerWaalsContact C-N 3.35Å; L148-T150 VanDerWaalsContact C-N 3.32Å; L148-I151 PolarHBondContact O-N 2.99Å; L148-Q152 VanDerWaalsContact O-CB 3.23Å; L148-Q152 WeakPolarHBondContact O-CB 3.3Å; L148-Q152 WeakPolarHBondContact O-CG 3.4Å; L148-Q152 PolarHBondContact O-N 3.44Å
149	M	40.7	Very low	37.1	Very low	122 Å²	122	93.5 Å²	93.5	60%	0.601	49%	0.494	S	S	*	.	H	α-helix	trans	-63.8	-41.7	172.7	-75.6	178	78.1	0	0	110.6	N145 L146 Q152 W153	N145-M149 WeakPolarHBondContact O-CB 3.24Å; N145-M149 VanDerWaalsContact O-CG 3.24Å; N145-M149 WeakPolarHBondContact O-CG 3.35Å; N145-M149 PolarHBondContact O-N 3.05Å; L146-M149 PolarHBondContact O-N 3.47Å; M149-Q152 PolarHBondContact O-N 3.5Å; M149-W153 VanDerWaalsContact O-CB 3.24Å; M149-W153 WeakPolarHBondContact O-CB 3.47Å; M149-W153 PolarHBondContact O-N 3.17Å
150	T	37.9	Very low	37.3	Very low	72 Å²	72	96.4 Å²	96.4	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-65.4	-41.9	176.9	-56	0	0	0	0	111	L146 D147 L148 W153 L154	L146-T150 WeakPolarHBondContact O-CB 3.28Å; L146-T150 PolarHBondContact O-N 3.12Å; L146-T150 PolarHBondContact O-OG1 3.34Å; D147-T150 CarbonylContact O-C 3.59Å; D147-T150 PolarHBondContact O-N 3Å; L148-T150 VanDerWaalsContact C-N 3.32Å; T150-W153 CarbonylContact O-C 3.58Å; T150-W153 PolarHBondContact O-N 3.49Å; T150-L154 HydrophobicContact CG2-CD1 3.95Å; T150-L154 HydrophobicContact CG2-CG 4.32Å; T150-L154 VanDerWaalsContact O-CB 3.29Å; T150-L154 WeakPolarHBondContact O-CB 3.46Å; T150-L154 WeakPolarHBondContact O-CG 3.2Å; T150-L154 PolarHBondContact O-N 3.31Å
151	I	36	Very low	37.1	Very low	88 Å²	88	96.9 Å²	96.9	45%	0.451	53%	0.531	S	S	.	.	H	α-helix	trans	-65	-46.6	173.2	-69.7	163.4	0	0	0	110.5	D147 L148 W153 L154 V155	D147-I151 WeakPolarHBondContact O-CB 3.41Å; D147-I151 WeakPolarHBondContact O-CD1 3.31Å; D147-I151 WeakPolarHBondContact O-CG1 3.48Å; D147-I151 PolarHBondContact O-N 3.34Å; L148-I151 PolarHBondContact O-N 2.99Å; I151-W153 PolarHBondContact O-N 2.98Å; I151-L154 CarbonylContact O-C 3.57Å; I151-L154 PolarHBondContact O-N 3.48Å; I151-V155 HydrophobicContact CG2-CG2 4.03Å; I151-V155 VanDerWaalsContact O-CB 3.31Å; I151-V155 WeakPolarHBondContact O-CB 3.46Å; I151-V155 WeakPolarHBondContact O-CG2 3.1Å; I151-V155 PolarHBondContact O-N 2.76Å
152	Q	36.4	Very low	36.9	Very low	129 Å²	129	101 Å²	101	60%	0.603	54%	0.542	S	S	*	.	H	α-helix	trans	-57.2	-36.6	174.7	-78.4	172.1	-8.6	0	0	111.3	L148 M149 G156	L148-Q152 VanDerWaalsContact O-CB 3.23Å; L148-Q152 WeakPolarHBondContact O-CB 3.3Å; L148-Q152 WeakPolarHBondContact O-CG 3.4Å; L148-Q152 PolarHBondContact O-N 3.44Å; M149-Q152 PolarHBondContact O-N 3.5Å; Q152-G156 PolarHBondContact O-N 3.33Å
153	W	35	Very low	37	Very low	141 Å²	141	102.2 Å²	102.2	53%	0.534	55%	0.547	S	S	.	.	H	α-helix	trans	-76.2	-38.6	176.7	-146.7	75	0	0	0	112.8	M149 T150 I151 G156 K254	M149-W153 VanDerWaalsContact O-CB 3.24Å; M149-W153 WeakPolarHBondContact O-CB 3.47Å; M149-W153 PolarHBondContact O-N 3.17Å; T150-W153 CarbonylContact O-C 3.58Å; T150-W153 PolarHBondContact O-N 3.49Å; I151-W153 PolarHBondContact O-N 2.98Å; W153-G156 PolarHBondContact O-N 3.21Å; W153-G156 VanDerWaalsContact O-N 3.11Å; W153-K254 HydrophobicContact CH2-CB 4.05Å; W153-K254 HydrophobicContact CH2-CG 3.92Å; W153-K254 HydrophobicContact CZ3-CB 4.42Å; W153-K254 HydrophobicContact CZ3-CG 4.27Å
154	L	32.3	Very low	36.9	Very low	83 Å²	83	106.5 Å²	106.5	44%	0.435	56%	0.563	S	S	.	*	H	α-helix	trans	-66.9	-33.7	173.5	-75.4	167	0	0	0	112.2	T150 I151 G156	T150-L154 HydrophobicContact CG2-CD1 3.95Å; T150-L154 HydrophobicContact CG2-CG 4.32Å; T150-L154 VanDerWaalsContact O-CB 3.29Å; T150-L154 WeakPolarHBondContact O-CB 3.46Å; T150-L154 WeakPolarHBondContact O-CG 3.2Å; T150-L154 PolarHBondContact O-N 3.31Å; I151-L154 CarbonylContact O-C 3.57Å; I151-L154 PolarHBondContact O-N 3.48Å; L154-G156 PolarHBondContact O-N 3.23Å
155	V	33.8	Very low	36.8	Very low	98 Å²	98	113 Å²	113	59%	0.594	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-0.5	174.2	-177.9	0	0	0	0	110.9	I151 S157	I151-V155 HydrophobicContact CG2-CG2 4.03Å; I151-V155 VanDerWaalsContact O-CB 3.31Å; I151-V155 WeakPolarHBondContact O-CB 3.46Å; I151-V155 WeakPolarHBondContact O-CG2 3.1Å; I151-V155 PolarHBondContact O-N 2.76Å; V155-S157 PolarHBondContact O-N 3.3Å; V155-S157 PolarHBondContact O-OG 3.27Å; V155-S157 VanDerWaalsContact O-OG 3.08Å
156	G	32.4	Very low	36.5	Very low	42 Å²	42	113.5 Å²	113.5	43%	0.433	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	60.8	20.5	163.7	0	0	0	0	0	115.1	Q152 W153 L154 D158	Q152-G156 PolarHBondContact O-N 3.33Å; W153-G156 PolarHBondContact O-N 3.21Å; W153-G156 VanDerWaalsContact O-N 3.11Å; L154-G156 PolarHBondContact O-N 3.23Å; G156-D158 PolarHBondContact O-N 3.35Å
157	S	32.7	Very low	36.3	Very low	87 Å²	87	115 Å²	115	61%	0.608	60%	0.596	S	S	*	*			trans	-93.3	84.3	-175.5	-37.6	0	0	0	0	110	V155	V155-S157 PolarHBondContact O-N 3.3Å; V155-S157 PolarHBondContact O-OG 3.27Å; V155-S157 VanDerWaalsContact O-OG 3.08Å
158	D	37.7	Very low	36.4	Very low	91 Å²	91	118.2 Å²	118.2	49%	0.487	61%	0.613	S	S	.	*			trans	-73.4	154.5	141.5	71.6	15.4	0	0	0	107.9	G156 N160 S161	G156-D158 PolarHBondContact O-N 3.35Å; D158-N160 PolarHBondContact O-N 3.34Å; D158-N160 PolarHBondContact OD1-N 3.17Å; D158-S161 PolarHBondContact O-N 2.99Å; D158-S161 PolarHBondContact OD1-N 3.41Å; D158-S161 VanDerWaalsContact OD1-N 3.13Å
159	K	40.6	Very low	36.3	Very low	208 Å²	208	125.3 Å²	125.3	90%	0.904	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-7.8	-174	-78.6	-178.2	174.7	179	0	114.3
160	N	41.2	Very low	36.5	Very low	138 Å²	138	122.6 Å²	122.6	74%	0.738	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	18.6	-174.1	-67	-20.2	0	0	0	114	D158 Q162	D158-N160 PolarHBondContact O-N 3.34Å; D158-N160 PolarHBondContact OD1-N 3.17Å; N160-Q162 VanDerWaalsContact C-N 3.3Å; N160-Q162 PolarHBondContact O-N 3.44Å; N160-Q162 VanDerWaalsContact O-N 3.11Å
161	S	35.5	Very low	36.8	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	66%	0.656	S	S	*	*			trans	53.6	36.4	162.2	-56	0	0	0	0	115.6	D158	D158-S161 PolarHBondContact O-N 2.99Å; D158-S161 PolarHBondContact OD1-N 3.41Å; D158-S161 VanDerWaalsContact OD1-N 3.13Å
162	Q	33.4	Very low	37.9	Very low	121 Å²	121	127 Å²	127	57%	0.565	65%	0.651	S	S	*	*			trans	-129.3	101.5	169.8	-73.9	-170.8	-9.4	0	0	111.2	N160 R164	N160-Q162 VanDerWaalsContact C-N 3.3Å; N160-Q162 PolarHBondContact O-N 3.44Å; N160-Q162 VanDerWaalsContact O-N 3.11Å; Q162-R164 VanDerWaalsContact C-N 3.35Å; Q162-R164 PolarHBondContact O-N 2.9Å
163	S	34.5	Very low	38.8	Very low	84 Å²	84	124.4 Å²	124.4	59%	0.587	64%	0.636	S	S	*	*			trans	-58.7	95	161.4	169.6	0	0	0	0	109.4	Y165	S163-Y165 VanDerWaalsContact C-N 3.29Å; S163-Y165 PolarHBondContact O-N 3.26Å
164	R	36.1	Very low	40.3	Very low	190 Å²	190	120.7 Å²	120.7	72%	0.717	63%	0.631	S	S	*	*			trans	-81.9	1.1	177.3	-78.3	-170.3	-170.5	176	4.9	114.4	Q162	Q162-R164 VanDerWaalsContact C-N 3.35Å; Q162-R164 PolarHBondContact O-N 2.9Å
165	Y	38.9	Very low	42.1	Very low	205 Å²	205	121.6 Å²	121.6	80%	0.804	64%	0.636	S	S	*	*			trans	-108.2	12.1	-167.3	-77	-76.4	0	0	0	116.1	S163	S163-Y165 VanDerWaalsContact C-N 3.29Å; S163-Y165 PolarHBondContact O-N 3.26Å
166	I	35.2	Very low	43.7	Very low	111 Å²	111	120 Å²	120	57%	0.569	62%	0.621	S	S	*	*	S	Bend	trans	-84.4	-19.6	175.2	-60	178.5	0	0	0	112.5
167	T	36	Very low	45.6	Very low	132 Å²	132	122.3 Å²	122.3	81%	0.81	62%	0.62	S	S	*	*	S	Bend	trans	-95.2	7.5	-169.1	45.5	0	0	0	0	117.2
168	D	37.8	Very low	47.7	Very low	150 Å²	150	124.7 Å²	124.7	80%	0.802	62%	0.62	S	S	*	*			trans	-114.2	51.8	174.1	-137.1	-2.6	0	0	0	112	G170	D168-G170 PolarHBondContact O-N 2.86Å
169	R	39.4	Very low	49.5	Very low	229 Å²	229	122.2 Å²	122.2	86%	0.864	61%	0.612	S	S	*	*			trans	-79.4	91.8	167.6	-65.9	-170	-163.3	-173.3	3.6	108.6
170	G	42.9	Very low	51	Low	66 Å²	66	112.9 Å²	112.9	68%	0.68	57%	0.572	S	S	*	*	S	Bend	trans	-156.4	-58.4	175	0	0	0	0	0	116.1	D168	D168-G170 PolarHBondContact O-N 2.86Å
171	F	45.7	Very low	52.8	Low	188 Å²	188	110.7 Å²	110.7	83%	0.825	56%	0.557	S	S	*	*	S	Bend	trans	-121.3	-31.1	-158	-117.5	-95.7	0	0	0	116.6
172	D	58.5	Low	54.9	Low	64 Å²	64	109 Å²	109	34%	0.342	55%	0.545	S	S	.	.	S	Bend	trans	-92.5	-22.5	-168.8	-149.7	6.5	0	0	0	114.1	C174 L175 K176 F255	D172-C174 PolarHBondContact O-N 2.96Å; D172-L175 WeakPolarHBondContact O-CB 3.12Å; D172-L175 PolarHBondContact O-N 3.38Å; D172-L175 VanDerWaalsContact O-N 3.13Å; D172-K176 VanDerWaalsContact CG-CE 3.48Å; D172-K176 WeakPolarHBondContact O-CG 3.28Å; D172-K176 PolarHBondContact O-N 3.37Å; D172-K176 WeakPolarHBondContact OD1-CE 3.46Å; D172-K176 IonicContact OD1-NZ 3.23Å; D172-K176 WeakPolarHBondContact OD2-CE 3.47Å; D172-K176 IonicContact OD2-NZ 3.87Å; D172-F255 HydrophobicContact CB-CE1 4.31Å; D172-F255 HydrophobicContact CB-CZ 4.39Å
173	Y	54.7	Low	56.5	Low	75 Å²	75	103.9 Å²	103.9	29%	0.294	52%	0.522	S	S	.	.	H	α-helix	trans	-56.3	-52.8	-175.2	-176.9	-86.7	0	0	0	113.1	L175 K176 E177 Y252 F255 M256	Y173-L175 VanDerWaalsContact C-N 3.26Å; Y173-L175 PolarHBondContact O-N 2.94Å; Y173-K176 PolarHBondContact O-N 3.39Å; Y173-K176 VanDerWaalsContact O-N 3.11Å; Y173-E177 PolarHBondContact O-N 3.06Å; Y173-Y252 HydrophobicContact CE1-CE2 4.26Å; Y173-Y252 AromaticContact CE2-CE2 3.94Å; Y173-Y252 HydrophobicContact CE2-CE2 3.94Å; Y173-Y252 AromaticContact CZ-CE2 3.77Å; Y173-Y252 PolarHBondContact OH-OH 2.95Å; Y173-F255 HydrophobicContact CD2-CB 3.69Å; Y173-F255 HydrophobicContact CE2-CB 4.42Å; Y173-M256 HydrophobicContact CE2-CG 4.05Å
174	C	67.6	Low	58.5	Low	62 Å²	62	101.5 Å²	101.5	42%	0.419	50%	0.502	S	S	.	.	H	α-helix	trans	-63.8	-32.6	-179.7	-175.6	0	0	0	0	112.1	D172 K178	D172-C174 PolarHBondContact O-N 2.96Å; C174-K178 WeakPolarHBondContact O-CG 3.47Å; C174-K178 PolarHBondContact O-N 3.24Å; C174-K178 VanDerWaalsContact O-N 3.17Å
175	L	70.3	Confident	60.6	Low	103 Å²	103	96 Å²	96	54%	0.539	49%	0.486	S	S	.	.	H	α-helix	trans	-68.5	-39.6	174.9	-67.1	174.6	0	0	0	111.3	D172 Y173 A179	D172-L175 WeakPolarHBondContact O-CB 3.12Å; D172-L175 PolarHBondContact O-N 3.38Å; D172-L175 VanDerWaalsContact O-N 3.13Å; Y173-L175 VanDerWaalsContact C-N 3.26Å; Y173-L175 PolarHBondContact O-N 2.94Å; L175-A179 WeakPolarHBondContact O-CB 3.49Å; L175-A179 PolarHBondContact O-N 3.08Å
176	K	65.8	Low	62.3	Low	64 Å²	64	88.5 Å²	88.5	28%	0.278	46%	0.462	S	S	.	.	H	α-helix	trans	-70.3	-39.1	177	-62.8	-57.6	176.7	-164.8	0	113.2	D172 Y173 A179 L180 Y252 F255	D172-K176 VanDerWaalsContact CG-CE 3.48Å; D172-K176 WeakPolarHBondContact O-CG 3.28Å; D172-K176 PolarHBondContact O-N 3.37Å; D172-K176 WeakPolarHBondContact OD1-CE 3.46Å; D172-K176 IonicContact OD1-NZ 3.23Å; D172-K176 WeakPolarHBondContact OD2-CE 3.47Å; D172-K176 IonicContact OD2-NZ 3.87Å; Y173-K176 PolarHBondContact O-N 3.39Å; Y173-K176 VanDerWaalsContact O-N 3.11Å; K176-A179 PolarHBondContact O-N 3.03Å; K176-L180 PolarHBondContact O-N 3.38Å; K176-Y252 HydrophobicContact CB-CD2 4Å; K176-F255 HydrophobicContact CB-CD2 4.45Å; K176-F255 HydrophobicContact CD-CE2 4.29Å; K176-F255 HydrophobicContact CG-CD2 3.85Å; K176-F255 HydrophobicContact CG-CE2 3.72Å
177	E	72.5	Confident	64.1	Low	90 Å²	90	84.4 Å²	84.4	42%	0.421	44%	0.441	S	S	.	.	H	α-helix	trans	-59.3	-49.6	174	-174.4	176	-153.6	0	0	111	Y173 A179 L180 Q181 Y252	Y173-E177 PolarHBondContact O-N 3.06Å; E177-A179 VanDerWaalsContact C-N 3.32Å; E177-A179 PolarHBondContact O-N 3.48Å; E177-L180 PolarHBondContact O-N 3.35Å; E177-Q181 PolarHBondContact O-N 2.91Å; E177-Y252 HydrophobicContact CB-CD2 4.32Å; E177-Y252 HydrophobicContact CB-CE2 3.6Å; E177-Y252 HydrophobicContact CG-CE2 4.11Å
178	K	78.1	Confident	66.1	Low	138 Å²	138	83.9 Å²	83.9	60%	0.6	43%	0.427	S	S	*	.	H	α-helix	trans	-61.4	-38.9	175.9	-72.7	177.2	-178.8	177.5	0	112.6	C174 C182	C174-K178 WeakPolarHBondContact O-CG 3.47Å; C174-K178 PolarHBondContact O-N 3.24Å; C174-K178 VanDerWaalsContact O-N 3.17Å; K178-C182 WeakPolarHBondContact O-CB 3.4Å; K178-C182 PolarHBondContact O-N 3.44Å
179	A	74.3	Confident	68	Low	38 Å²	38	82.3 Å²	82.3	31%	0.314	42%	0.418	S	S	.	.	H	α-helix	trans	-66.6	-37.6	176.9	0	0	0	0	0	112.3	L175 K176 E177 S183	L175-A179 WeakPolarHBondContact O-CB 3.49Å; L175-A179 PolarHBondContact O-N 3.08Å; K176-A179 PolarHBondContact O-N 3.03Å; E177-A179 VanDerWaalsContact C-N 3.32Å; E177-A179 PolarHBondContact O-N 3.48Å; A179-S183 PolarHBondContact O-N 3.28Å; A179-S183 VanDerWaalsContact O-N 3.1Å; A179-S183 PolarHBondContact O-OG 3.34Å
180	L	73.8	Confident	69.2	Low	12 Å²	12	73 Å²	73	6%	0.063	38%	0.384	C	S	.	.	H	α-helix	trans	-64	-52.6	173.6	177.2	61.1	0	0	0	110.8	K176 E177 C182 S183 E184 L245 R249 Y252	K176-L180 PolarHBondContact O-N 3.38Å; E177-L180 PolarHBondContact O-N 3.35Å; L180-C182 VanDerWaalsContact C-N 3.3Å; L180-C182 PolarHBondContact O-N 2.79Å; L180-S183 WeakPolarHBondContact O-CA 3.43Å; L180-S183 WeakPolarHBondContact O-CB 3.34Å; L180-S183 PolarHBondContact O-N 3.12Å; L180-E184 HydrophobicContact CD1-CG 4.31Å; L180-E184 PolarHBondContact O-N 3.33Å; L180-L245 HydrophobicContact CD1-CD1 3.59Å; L180-R249 HydrophobicContact CD1-CB 3.99Å; L180-Y252 HydrophobicContact CB-CG 4.49Å; L180-Y252 HydrophobicContact CD2-CD1 3.22Å; L180-Y252 HydrophobicContact CD2-CE1 3.65Å; L180-Y252 HydrophobicContact CD2-CG 3.87Å; L180-Y252 HydrophobicContact CG-CD1 4.49Å
181	Q	77.8	Confident	70.4	Confident	92 Å²	92	74.3 Å²	74.3	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-55.3	-46	179	-174	62.4	54.9	0	0	111.8	E177 S183 E184 D185	E177-Q181 PolarHBondContact O-N 2.91Å; Q181-S183 VanDerWaalsContact C-N 3.26Å; Q181-S183 PolarHBondContact O-N 3.05Å; Q181-E184 PolarHBondContact O-N 3.09Å; Q181-D185 PolarHBondContact NE2-OD1 3.46Å; Q181-D185 PolarHBondContact O-N 3.37Å
182	C	80	Confident	71.7	Confident	76 Å²	76	67.8 Å²	67.8	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-59.4	-38.1	176.3	-178.5	0	0	0	0	112.2	K178 L180 V186	K178-C182 WeakPolarHBondContact O-CB 3.4Å; K178-C182 PolarHBondContact O-N 3.44Å; L180-C182 VanDerWaalsContact C-N 3.3Å; L180-C182 PolarHBondContact O-N 2.79Å; C182-V186 WeakPolarHBondContact O-CB 3.21Å; C182-V186 VanDerWaalsContact O-CG2 3.23Å; C182-V186 WeakPolarHBondContact O-CG2 3.37Å; C182-V186 PolarHBondContact O-N 3.35Å; C182-V186 VanDerWaalsContact O-N 3.08Å
183	S	66.9	Low	72.3	Confident	13 Å²	13	68.9 Å²	68.9	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-68.9	-38.3	177.9	-57.8	0	0	0	0	112.4	A179 L180 Q181 M187 N248	A179-S183 PolarHBondContact O-N 3.28Å; A179-S183 VanDerWaalsContact O-N 3.1Å; A179-S183 PolarHBondContact O-OG 3.34Å; L180-S183 WeakPolarHBondContact O-CA 3.43Å; L180-S183 WeakPolarHBondContact O-CB 3.34Å; L180-S183 PolarHBondContact O-N 3.12Å; Q181-S183 VanDerWaalsContact C-N 3.26Å; Q181-S183 PolarHBondContact O-N 3.05Å; S183-M187 WeakPolarHBondContact O-CB 3.49Å; S183-M187 PolarHBondContact O-N 2.99Å; S183-N248 PolarHBondContact OG-ND2 3.45Å
184	E	75.4	Confident	72.7	Confident	34 Å²	34	65.6 Å²	65.6	16%	0.159	34%	0.339	C	S	.	.	H	α-helix	trans	-64.8	-44.7	176.3	-69.4	177.9	165.7	0	0	111.4	L180 Q181 M187 K188 L245 R249	L180-E184 HydrophobicContact CD1-CG 4.31Å; L180-E184 PolarHBondContact O-N 3.33Å; Q181-E184 PolarHBondContact O-N 3.09Å; E184-M187 PolarHBondContact O-N 3.34Å; E184-K188 WeakPolarHBondContact O-CG 3.26Å; E184-K188 PolarHBondContact O-N 3.05Å; E184-L245 HydrophobicContact CB-CD1 4.44Å; E184-L245 HydrophobicContact CG-CD1 3.49Å; E184-L245 VanDerWaalsContact CG-CD1 3.49Å; E184-L245 HydrophobicContact CG-CD2 4.36Å; E184-R249 IonicContact OE1-NH2 3.35Å
185	D	81.6	Confident	72.8	Confident	74 Å²	74	67.6 Å²	67.6	40%	0.396	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-43.7	177.9	-66.1	-21.8	0	0	0	111.5	Q181 M187 K188 I189	Q181-D185 PolarHBondContact NE2-OD1 3.46Å; Q181-D185 PolarHBondContact O-N 3.37Å; D185-M187 PolarHBondContact O-N 3.14Å; D185-K188 PolarHBondContact O-N 3.29Å; D185-I189 WeakPolarHBondContact O-CG1 3.27Å; D185-I189 PolarHBondContact O-N 3.28Å
186	V	74.3	Confident	72.8	Confident	48 Å²	48	66.9 Å²	66.9	29%	0.291	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-43.1	175	170.4	0	0	0	0	110.9	C182 K188 I189 H190 K241	C182-V186 WeakPolarHBondContact O-CB 3.21Å; C182-V186 VanDerWaalsContact O-CG2 3.23Å; C182-V186 WeakPolarHBondContact O-CG2 3.37Å; C182-V186 PolarHBondContact O-N 3.35Å; C182-V186 VanDerWaalsContact O-N 3.08Å; V186-K188 VanDerWaalsContact C-N 3.34Å; V186-K188 PolarHBondContact O-N 3.46Å; V186-I189 PolarHBondContact O-N 3.27Å; V186-H190 PolarHBondContact O-CD2 3.2Å; V186-H190 VanDerWaalsContact O-CD2 3.3Å; V186-H190 PolarHBondContact O-N 3.09Å; V186-K241 HydrophobicContact CG1-CD 3.76Å; V186-K241 HydrophobicContact CG1-CG 4.1Å
187	M	73	Confident	72.6	Confident	25 Å²	25	65.5 Å²	65.5	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-60.1	-43.8	177.1	-176.7	-166.3	61.6	0	0	111.5	S183 E184 D185 I189 H190 R191 L238 V242 L245	S183-M187 WeakPolarHBondContact O-CB 3.49Å; S183-M187 PolarHBondContact O-N 2.99Å; E184-M187 PolarHBondContact O-N 3.34Å; D185-M187 PolarHBondContact O-N 3.14Å; M187-I189 VanDerWaalsContact C-N 3.34Å; M187-I189 PolarHBondContact O-N 3.28Å; M187-H190 PolarHBondContact O-N 3.31Å; M187-R191 WeakPolarHBondContact O-CB 3.39Å; M187-R191 PolarHBondContact O-N 2.98Å; M187-L238 HydrophobicContact CG-CD1 4.45Å; M187-V242 HydrophobicContact CG-CG2 4.18Å; M187-V242 HydrophobicContact SD-CG2 4.04Å; M187-L245 HydrophobicContact CB-CD2 4.41Å; M187-L245 HydrophobicContact CE-CD2 3.68Å; M187-L245 HydrophobicContact CG-CD2 4.46Å; M187-L245 HydrophobicContact SD-CD2 3.36Å; M187-L245 WeakPolarHBondContact SD-CD2 3.47Å
188	K	78.1	Confident	72.1	Confident	120 Å²	120	63.5 Å²	63.5	52%	0.522	33%	0.333	S	S	.	.	H	α-helix	trans	-57.6	-45	178.3	-74.1	171.2	-177.5	169.9	0	111.8	E184 D185 V186 R191 A192	E184-K188 WeakPolarHBondContact O-CG 3.26Å; E184-K188 PolarHBondContact O-N 3.05Å; D185-K188 PolarHBondContact O-N 3.29Å; V186-K188 VanDerWaalsContact C-N 3.34Å; V186-K188 PolarHBondContact O-N 3.46Å; K188-R191 PolarHBondContact O-N 3.12Å; K188-A192 PolarHBondContact O-N 3.47Å; K188-A192 VanDerWaalsContact O-N 3.07Å
189	I	76.5	Confident	71.6	Confident	118 Å²	118	61.1 Å²	61.1	61%	0.605	33%	0.326	S	S	*	.	H	α-helix	trans	-60.3	-47.8	177.5	-65.8	167.3	0	0	0	111.3	D185 V186 M187 R191 A192 K193	D185-I189 WeakPolarHBondContact O-CG1 3.27Å; D185-I189 PolarHBondContact O-N 3.28Å; V186-I189 PolarHBondContact O-N 3.27Å; M187-I189 VanDerWaalsContact C-N 3.34Å; M187-I189 PolarHBondContact O-N 3.28Å; I189-R191 PolarHBondContact O-N 3.22Å; I189-A192 PolarHBondContact O-N 3.28Å; I189-K193 PolarHBondContact O-N 3.01Å
190	H	65.4	Low	71.1	Confident	34 Å²	34	61 Å²	61	16%	0.157	32%	0.323	C	S	.	.	H	α-helix	trans	-69.1	-32.6	-179.3	-79.4	-86.2	0	0	0	112.9	V186 M187 K193 A194 E237 L238 K241	V186-H190 PolarHBondContact O-CD2 3.2Å; V186-H190 VanDerWaalsContact O-CD2 3.3Å; V186-H190 PolarHBondContact O-N 3.09Å; M187-H190 PolarHBondContact O-N 3.31Å; H190-K193 PolarHBondContact O-N 2.06Å; H190-A194 PolarHBondContact O-N 2.92Å; H190-E237 IonicContact CE1-OE2 3.7Å; H190-E237 PolarHBondContact CE1-OE2 3.42Å; H190-E237 IonicContact ND1-OE2 3.69Å; H190-E237 PolarHBondContact ND1-OE2 3.18Å; H190-L238 HydrophobicContact CB-CD1 4.14Å; H190-K241 HydrophobicContact CB-CG 4.35Å; H190-K241 VanDerWaalsContact NE2-CE 3.32Å; H190-K241 WeakPolarHBondContact NE2-CE 3.25Å
191	R	67.5	Low	70.5	Confident	93 Å²	93	60.9 Å²	60.9	35%	0.351	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-49.1	173.6	-179.5	-179.8	-84.6	177.4	-4	110.9	M187 K188 I189 K193 A194 E195 L238 H275	M187-R191 WeakPolarHBondContact O-CB 3.39Å; M187-R191 PolarHBondContact O-N 2.98Å; K188-R191 PolarHBondContact O-N 3.12Å; I189-R191 PolarHBondContact O-N 3.22Å; R191-K193 VanDerWaalsContact C-N 3.31Å; R191-K193 PolarHBondContact O-N 3.5Å; R191-A194 PolarHBondContact O-N 3.15Å; R191-A194 VanDerWaalsContact O-N 3.17Å; R191-E195 PolarHBondContact O-N 3.41Å; R191-L238 HydrophobicContact CB-CD1 4.08Å; R191-H275 PolarHBondContact NH1-CE1 3.25Å; R191-H275 PolarHBondContact NH1-ND1 2.87Å; R191-H275 PolarHBondContact NH2-CD2 3.29Å; R191-H275 PolarHBondContact NH2-NE2 2.65Å
192	A	73.1	Confident	69.7	Low	51 Å²	51	60 Å²	60	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-59.3	-41.9	177.2	0	0	0	0	0	111.9	K188 I189 A194 E195 V196	K188-A192 PolarHBondContact O-N 3.47Å; K188-A192 VanDerWaalsContact O-N 3.07Å; I189-A192 PolarHBondContact O-N 3.28Å; A192-A194 PolarHBondContact O-N 3.09Å; A192-E195 PolarHBondContact O-N 3.5Å; A192-V196 WeakPolarHBondContact O-CG2 3.49Å; A192-V196 PolarHBondContact O-N 3.06Å
193	K	72.2	Confident	69.4	Low	87 Å²	87	64 Å²	64	38%	0.378	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-45.8	174.5	-177	-176.9	172.6	-169.2	0	112	I189 H190 R191 N197 E237	I189-K193 PolarHBondContact O-N 3.01Å; H190-K193 PolarHBondContact O-N 2.06Å; R191-K193 VanDerWaalsContact C-N 3.31Å; R191-K193 PolarHBondContact O-N 3.5Å; K193-N197 PolarHBondContact O-N 3.37Å; K193-N197 VanDerWaalsContact O-N 3.12Å; K193-N197 PolarHBondContact O-ND2 3.16Å; K193-E237 IonicContact NZ-OE1 3.69Å; K193-E237 PolarHBondContact NZ-OE1 3.18Å; K193-E237 IonicContact NZ-OE2 3.1Å; K193-E237 PolarHBondContact NZ-OE2 2.95Å
194	A	63.6	Low	69.5	Low	6 Å²	6	64.9 Å²	64.9	5%	0.05	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-39	178.5	0	0	0	0	0	112.4	H190 R191 A192 N197 C198 L235 L238	H190-A194 PolarHBondContact O-N 2.92Å; R191-A194 PolarHBondContact O-N 3.15Å; R191-A194 VanDerWaalsContact O-N 3.17Å; A192-A194 PolarHBondContact O-N 3.09Å; A194-N197 PolarHBondContact O-N 3.16Å; A194-C198 WeakPolarHBondContact O-CB 3.48Å; A194-C198 PolarHBondContact O-N 3.09Å; A194-L235 HydrophobicContact CB-CD2 4.4Å; A194-L238 HydrophobicContact CB-CD2 3.96Å
195	E	68.6	Low	69.3	Low	103 Å²	103	65.8 Å²	65.8	48%	0.481	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-47.1	177.3	-175.1	173.2	-170	0	0	112.2	R191 A192 N197 C198 I199	R191-E195 PolarHBondContact O-N 3.41Å; A192-E195 PolarHBondContact O-N 3.5Å; E195-N197 VanDerWaalsContact C-N 3.27Å; E195-N197 PolarHBondContact O-N 3.02Å; E195-C198 WeakPolarHBondContact O-CB 3.22Å; E195-C198 PolarHBondContact O-N 3.36Å; E195-C198 VanDerWaalsContact O-N 3.15Å; E195-I199 HydrophobicContact CG-CD1 4.22Å; E195-I199 WeakPolarHBondContact O-CG1 3.1Å; E195-I199 PolarHBondContact O-N 3.48Å
196	V	70.8	Confident	69	Low	89 Å²	89	67.1 Å²	67.1	54%	0.539	34%	0.339	S	S	.	.	H	α-helix	trans	-57.8	-41.8	175.2	170.7	0	0	0	0	111.2	A192 S200	A192-V196 WeakPolarHBondContact O-CG2 3.49Å; A192-V196 PolarHBondContact O-N 3.06Å; V196-S200 WeakPolarHBondContact O-CB 3.47Å; V196-S200 PolarHBondContact O-N 3.11Å; V196-S200 PolarHBondContact O-OG 3.33Å
197	N	60.3	Low	69.1	Low	34 Å²	34	67.9 Å²	67.9	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-70.3	-35	178.1	-72.7	-19.9	0	0	0	112.5	K193 A194 E195 S200 T201 F231 S234	K193-N197 PolarHBondContact O-N 3.37Å; K193-N197 VanDerWaalsContact O-N 3.12Å; K193-N197 PolarHBondContact O-ND2 3.16Å; A194-N197 PolarHBondContact O-N 3.16Å; E195-N197 VanDerWaalsContact C-N 3.27Å; E195-N197 PolarHBondContact O-N 3.02Å; N197-S200 PolarHBondContact O-N 3.47Å; N197-T201 WeakPolarHBondContact O-CB 3.17Å; N197-T201 PolarHBondContact O-N 3.47Å; N197-T201 PolarHBondContact O-OG1 2.91Å; N197-F231 HydrophobicContact CB-CB 4.1Å; N197-F231 HydrophobicContact CB-CD2 4Å; N197-S234 PolarHBondContact ND2-OG 2.82Å
198	C	63.5	Low	69.1	Low	49 Å²	49	68.1 Å²	68.1	33%	0.331	34%	0.341	S	S	.	.	H	α-helix	trans	-61.3	-49.4	173.2	-174.7	0	0	0	0	111.7	A194 E195 S200 T201 T202 F231	A194-C198 WeakPolarHBondContact O-CB 3.48Å; A194-C198 PolarHBondContact O-N 3.09Å; E195-C198 WeakPolarHBondContact O-CB 3.22Å; E195-C198 PolarHBondContact O-N 3.36Å; E195-C198 VanDerWaalsContact O-N 3.15Å; C198-S200 VanDerWaalsContact C-N 3.3Å; C198-S200 PolarHBondContact O-N 3.39Å; C198-T201 PolarHBondContact O-N 2.74Å; C198-T202 WeakPolarHBondContact O-CB 3.33Å; C198-T202 PolarHBondContact O-N 3.43Å; C198-T202 PolarHBondContact O-OG1 3.15Å; C198-F231 HydrophobicContact CB-CD2 4.05Å; C198-F231 HydrophobicContact CB-CE2 3.49Å; C198-F231 VanDerWaalsContact CB-CE2 3.49Å; C198-F231 HydrophobicContact CB-CZ 3.92Å
199	I	67.2	Low	69.1	Low	88 Å²	88	65.9 Å²	65.9	45%	0.451	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-43.7	178.3	-67	168	0	0	0	110.1	E195 T202 R203	E195-I199 HydrophobicContact CG-CD1 4.22Å; E195-I199 WeakPolarHBondContact O-CG1 3.1Å; E195-I199 PolarHBondContact O-N 3.48Å; I199-T202 PolarHBondContact O-N 3.4Å; I199-R203 WeakPolarHBondContact O-CB 3.48Å; I199-R203 PolarHBondContact O-N 3.22Å
200	S	63.1	Low	69.4	Low	34 Å²	34	69.2 Å²	69.2	24%	0.238	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-45.1	178.6	-57.8	0	0	0	0	111.7	V196 N197 C198 T202 R203 E204	V196-S200 WeakPolarHBondContact O-CB 3.47Å; V196-S200 PolarHBondContact O-N 3.11Å; V196-S200 PolarHBondContact O-OG 3.33Å; N197-S200 PolarHBondContact O-N 3.47Å; C198-S200 VanDerWaalsContact C-N 3.3Å; C198-S200 PolarHBondContact O-N 3.39Å; S200-T202 PolarHBondContact O-N 3.31Å; S200-R203 PolarHBondContact O-N 3.06Å; S200-E204 PolarHBondContact O-N 3.41Å
201	T	61.1	Low	70.3	Confident	11 Å²	11	68.8 Å²	68.8	7%	0.067	34%	0.338	C	S	.	.	H	α-helix	trans	-61.2	-43.9	176.5	-53.3	0	0	0	0	111.5	N197 C198 E204 Y205 F224 I227 N228 F231	N197-T201 WeakPolarHBondContact O-CB 3.17Å; N197-T201 PolarHBondContact O-N 3.47Å; N197-T201 PolarHBondContact O-OG1 2.91Å; C198-T201 PolarHBondContact O-N 2.74Å; T201-E204 PolarHBondContact O-N 3.49Å; T201-Y205 WeakPolarHBondContact O-CB 3.47Å; T201-Y205 PolarHBondContact O-N 3.46Å; T201-F224 HydrophobicContact CG2-CE2 3.78Å; T201-F224 HydrophobicContact CG2-CZ 4.47Å; T201-I227 WeakPolarHBondContact OG1-CG2 3.36Å; T201-N228 HydrophobicContact CG2-CB 4.16Å; T201-F231 WeakPolarHBondContact OG1-CB 3.4Å
202	T	61.5	Low	71	Confident	73 Å²	73	69.6 Å²	69.6	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-62.8	-44	178.3	-56.9	0	0	0	0	111.5	C198 I199 S200 Y205 L206	C198-T202 WeakPolarHBondContact O-CB 3.33Å; C198-T202 PolarHBondContact O-N 3.43Å; C198-T202 PolarHBondContact O-OG1 3.15Å; I199-T202 PolarHBondContact O-N 3.4Å; S200-T202 PolarHBondContact O-N 3.31Å; T202-Y205 PolarHBondContact O-N 2.83Å; T202-L206 HydrophobicContact CG2-CD1 4.49Å; T202-L206 WeakPolarHBondContact O-CG 3.42Å; T202-L206 PolarHBondContact O-N 3.45Å
203	R	72.8	Confident	71.6	Confident	161 Å²	161	74.1 Å²	74.1	61%	0.608	36%	0.361	S	S	*	.	H	α-helix	trans	-60.5	-46.1	176.3	-175.1	-176.5	-64	141.1	1.1	111.2	I199 S200 L206 E207	I199-R203 WeakPolarHBondContact O-CB 3.48Å; I199-R203 PolarHBondContact O-N 3.22Å; S200-R203 PolarHBondContact O-N 3.06Å; R203-L206 PolarHBondContact O-N 3.39Å; R203-E207 PolarHBondContact O-N 3.45Å
204	E	69.8	Low	72.4	Confident	31 Å²	31	72.5 Å²	72.5	15%	0.145	36%	0.358	C	S	.	.	H	α-helix	trans	-66.4	-38.6	-179	-157.6	71.4	-175.4	0	0	112.3	S200 T201 E207 L208 Q220 Q223 F224 I227	S200-E204 PolarHBondContact O-N 3.41Å; T201-E204 PolarHBondContact O-N 3.49Å; E204-E207 PolarHBondContact O-N 3.07Å; E204-L208 WeakPolarHBondContact O-CB 3.26Å; E204-L208 PolarHBondContact O-N 3.36Å; E204-Q220 PolarHBondContact OE1-NE2 2.99Å; E204-Q223 HydrophobicContact CG-CB 4.47Å; E204-Q223 WeakPolarHBondContact OE1-CB 3.39Å; E204-Q223 PolarHBondContact OE1-OE1 3.28Å; E204-F224 HydrophobicContact CB-CD2 4.31Å; E204-F224 HydrophobicContact CG-CB 4.02Å; E204-I227 HydrophobicContact CB-CD1 4.03Å; E204-I227 HydrophobicContact CG-CD1 3.84Å
205	Y	71.3	Confident	73.5	Confident	52 Å²	52	78.1 Å²	78.1	20%	0.204	39%	0.394	C	S	.	.	H	α-helix	trans	-59.9	-46.4	173.5	178.7	-102	0	0	0	111.7	W78 T201 T202 E207 L208 Q209 F224	W78-Y205 HydrophobicContact CZ2-CE2 4.03Å; T201-Y205 WeakPolarHBondContact O-CB 3.47Å; T201-Y205 PolarHBondContact O-N 3.46Å; T202-Y205 PolarHBondContact O-N 2.83Å; Y205-E207 VanDerWaalsContact C-N 3.29Å; Y205-E207 PolarHBondContact O-N 3.23Å; Y205-L208 WeakPolarHBondContact O-CB 3.47Å; Y205-L208 PolarHBondContact O-N 3.48Å; Y205-Q209 HydrophobicContact CD1-CG 4.34Å; Y205-Q209 HydrophobicContact CE1-CG 3.92Å; Y205-Q209 HydrophobicContact CE2-CG 4.43Å; Y205-Q209 WeakPolarHBondContact O-CG 3.09Å; Y205-Q209 PolarHBondContact O-N 3.33Å; Y205-Q209 PolarHBondContact OH-NE2 3.49Å; Y205-F224 AromaticContact CD2-CE2 3.96Å; Y205-F224 HydrophobicContact CD2-CE2 3.96Å; Y205-F224 HydrophobicContact CD2-CZ 4.09Å; Y205-F224 HydrophobicContact CG-CE2 4.3Å
206	L	74.8	Confident	74.4	Confident	102 Å²	102	78.3 Å²	78.3	53%	0.534	40%	0.399	S	S	.	.	H	α-helix	trans	-61.1	-40.8	177.2	-70.4	173	0	0	0	111.3	T202 R203 Q209 R210	T202-L206 HydrophobicContact CG2-CD1 4.49Å; T202-L206 WeakPolarHBondContact O-CG 3.42Å; T202-L206 PolarHBondContact O-N 3.45Å; R203-L206 PolarHBondContact O-N 3.39Å; L206-Q209 PolarHBondContact O-N 2.76Å; L206-R210 WeakPolarHBondContact O-CG 3.37Å; L206-R210 PolarHBondContact O-N 3.42Å
207	E	77.9	Confident	75	Confident	65 Å²	65	75.8 Å²	75.8	30%	0.304	39%	0.385	S	S	.	.	H	α-helix	trans	-66.9	-40.6	177	-164.2	62.8	-165.5	0	0	111.8	R203 E204 Y205 Q209 R210 V211	R203-E207 PolarHBondContact O-N 3.45Å; E204-E207 PolarHBondContact O-N 3.07Å; Y205-E207 VanDerWaalsContact C-N 3.29Å; Y205-E207 PolarHBondContact O-N 3.23Å; E207-Q209 VanDerWaalsContact C-N 3.3Å; E207-Q209 PolarHBondContact O-N 2.98Å; E207-R210 WeakPolarHBondContact O-CB 3.42Å; E207-R210 PolarHBondContact O-N 3.33Å; E207-R210 IonicContact OE1-NH1 3.93Å; E207-R210 WeakPolarHBondContact OE2-CD 3.45Å; E207-R210 IonicContact OE2-CZ 2.61Å; E207-R210 IonicContact OE2-NE 3.33Å; E207-R210 IonicContact OE2-NH1 2.76Å; E207-R210 PolarHBondContact OE2-NH1 3.12Å; E207-V211 WeakPolarHBondContact O-CG2 3.43Å; E207-V211 PolarHBondContact O-N 3.38Å
208	L	71.8	Confident	76.3	Confident	29 Å²	29	81.8 Å²	81.8	15%	0.152	41%	0.409	C	S	.	.	H	α-helix	trans	-56.5	-42.8	172	179.9	59.7	0	0	0	112.3	E204 Y205 R210 V211 K212 Q220 A221 F224	E204-L208 WeakPolarHBondContact O-CB 3.26Å; E204-L208 PolarHBondContact O-N 3.36Å; Y205-L208 WeakPolarHBondContact O-CB 3.47Å; Y205-L208 PolarHBondContact O-N 3.48Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 2.89Å; L208-V211 PolarHBondContact O-N 3.17Å; L208-K212 PolarHBondContact O-N 2.99Å; L208-K212 VanDerWaalsContact O-N 3.16Å; L208-Q220 VanDerWaalsContact CA-CG 3.49Å; L208-Q220 HydrophobicContact CB-CG 3.88Å; L208-Q220 HydrophobicContact CD1-CB 3.93Å; L208-Q220 HydrophobicContact CD1-CG 4.05Å; L208-A221 HydrophobicContact CD1-CB 4.01Å; L208-F224 HydrophobicContact CD2-CB 4.12Å; L208-F224 HydrophobicContact CD2-CD1 4.2Å; L208-F224 HydrophobicContact CD2-CG 4.14Å
209	Q	78.7	Confident	77.6	Confident	73 Å²	73	83.3 Å²	83.3	34%	0.341	42%	0.417	S	S	.	.	H	α-helix	trans	-65.4	-34.8	175.4	-65.9	-56.9	-38	0	0	112.3	Y205 L206 E207 K212	Y205-Q209 HydrophobicContact CD1-CG 4.34Å; Y205-Q209 HydrophobicContact CE1-CG 3.92Å; Y205-Q209 HydrophobicContact CE2-CG 4.43Å; Y205-Q209 WeakPolarHBondContact O-CG 3.09Å; Y205-Q209 PolarHBondContact O-N 3.33Å; Y205-Q209 PolarHBondContact OH-NE2 3.49Å; L206-Q209 PolarHBondContact O-N 2.76Å; E207-Q209 VanDerWaalsContact C-N 3.3Å; E207-Q209 PolarHBondContact O-N 2.98Å; Q209-K212 WeakPolarHBondContact O-CB 3.37Å
210	R	82.7	Confident	78.3	Confident	189 Å²	189	80.3 Å²	80.3	71%	0.713	40%	0.401	S	S	*	.	H	α-helix	trans	-69.8	-36.6	179	-72	174.7	74.6	-156.9	6	113.2	L206 E207 L208	L206-R210 WeakPolarHBondContact O-CG 3.37Å; L206-R210 PolarHBondContact O-N 3.42Å; E207-R210 WeakPolarHBondContact O-CB 3.42Å; E207-R210 PolarHBondContact O-N 3.33Å; E207-R210 IonicContact OE1-NH1 3.93Å; E207-R210 WeakPolarHBondContact OE2-CD 3.45Å; E207-R210 IonicContact OE2-CZ 2.61Å; E207-R210 IonicContact OE2-NE 3.33Å; E207-R210 IonicContact OE2-NH1 2.76Å; E207-R210 PolarHBondContact OE2-NH1 3.12Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 2.89Å
211	V	83.6	Confident	79.3	Confident	25 Å²	25	80.1 Å²	80.1	15%	0.152	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	12.2	179.9	-56	0	0	0	0	113	E207 L208 T214 S217 Q220	E207-V211 WeakPolarHBondContact O-CG2 3.43Å; E207-V211 PolarHBondContact O-N 3.38Å; L208-V211 PolarHBondContact O-N 3.17Å; V211-T214 WeakPolarHBondContact O-CB 3.33Å; V211-T214 WeakPolarHBondContact O-CG2 3.48Å; V211-T214 PolarHBondContact O-N 3.23Å; V211-T214 VanDerWaalsContact O-N 3.15Å; V211-T214 PolarHBondContact O-OG1 3.15Å; V211-S217 WeakPolarHBondContact O-CB 3.27Å; V211-Q220 HydrophobicContact CG2-CB 3.68Å; V211-Q220 HydrophobicContact CG2-CG 3.76Å
212	K	83.7	Confident	80.7	Confident	110 Å²	110	84.9 Å²	84.9	48%	0.478	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	141.6	178.1	-168.3	-178.6	175	-179.5	0	110.5	L208 Q209 T214	L208-K212 PolarHBondContact O-N 2.99Å; L208-K212 VanDerWaalsContact O-N 3.16Å; Q209-K212 WeakPolarHBondContact O-CB 3.37Å; K212-T214 PolarHBondContact O-N 2.93Å; K212-T214 VanDerWaalsContact O-N 3.09Å
213	D	85.4	Confident	81.8	Confident	145 Å²	145	85.6 Å²	85.6	78%	0.775	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	9.8	-179.3	-48.2	-43.6	0	0	0	115.3
214	T	87.8	Confident	82.2	Confident	54 Å²	54	79.2 Å²	79.2	33%	0.331	40%	0.401	S	S	.	.	S	Bend	trans	-97.3	161.5	170.3	76.1	0	0	0	0	111.3	V211 K212 N216 S217	V211-T214 WeakPolarHBondContact O-CB 3.33Å; V211-T214 WeakPolarHBondContact O-CG2 3.48Å; V211-T214 PolarHBondContact O-N 3.23Å; V211-T214 VanDerWaalsContact O-N 3.15Å; V211-T214 PolarHBondContact O-OG1 3.15Å; K212-T214 PolarHBondContact O-N 2.93Å; K212-T214 VanDerWaalsContact O-N 3.09Å; T214-N216 PolarHBondContact O-N 2.91Å; T214-N216 VanDerWaalsContact O-N 3.1Å; T214-N216 PolarHBondContact OG1-N 3.34Å; T214-S217 VanDerWaalsContact O-CB 3.26Å; T214-S217 WeakPolarHBondContact O-CB 3.25Å; T214-S217 PolarHBondContact O-N 2.81Å; T214-S217 PolarHBondContact O-OG 2.94Å; T214-S217 PolarHBondContact OG1-N 2.8Å
215	P	86.9	Confident	82.9	Confident	124 Å²	124	81.8 Å²	81.8	81%	0.805	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.3	171.2	-26.8	35.9	0	0	0	114	S217	P215-S217 VanDerWaalsContact C-N 3.33Å
216	N	86.9	Confident	83.7	Confident	107 Å²	107	86 Å²	86	57%	0.572	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.1	179	-67.6	-12.9	0	0	0	113.2	T214 K218 T219 Q220	T214-N216 PolarHBondContact O-N 2.91Å; T214-N216 VanDerWaalsContact O-N 3.1Å; T214-N216 PolarHBondContact OG1-N 3.34Å; N216-K218 PolarHBondContact O-N 3.34Å; N216-T219 PolarHBondContact O-N 3.15Å; N216-T219 VanDerWaalsContact O-N 3.12Å; N216-Q220 PolarHBondContact O-N 2.96Å
217	S	84.9	Confident	83.9	Confident	35 Å²	35	83.1 Å²	83.1	25%	0.245	42%	0.419	C	S	.	.	H	α-helix	trans	-54.5	-38.6	-179.6	61.5	0	0	0	0	112.8	V211 T214 P215 Q220 A221	V211-S217 WeakPolarHBondContact O-CB 3.27Å; T214-S217 VanDerWaalsContact O-CB 3.26Å; T214-S217 WeakPolarHBondContact O-CB 3.25Å; T214-S217 PolarHBondContact O-N 2.81Å; T214-S217 PolarHBondContact O-OG 2.94Å; T214-S217 PolarHBondContact OG1-N 2.8Å; P215-S217 VanDerWaalsContact C-N 3.33Å; S217-Q220 PolarHBondContact O-N 2.81Å; S217-A221 VanDerWaalsContact O-CB 3.32Å; S217-A221 WeakPolarHBondContact O-CB 2.99Å; S217-A221 PolarHBondContact O-N 3.02Å
218	K	87.7	Confident	83.6	Confident	160 Å²	160	82.4 Å²	82.4	70%	0.696	42%	0.417	S	S	*	.	H	α-helix	trans	-66.2	-43.3	179.5	-171	177.4	-178.1	179.6	0	112.1	N216 Q220 A221 I222	N216-K218 PolarHBondContact O-N 3.34Å; K218-Q220 VanDerWaalsContact C-N 3.34Å; K218-A221 PolarHBondContact O-N 3.1Å; K218-I222 WeakPolarHBondContact O-CG1 3.47Å; K218-I222 PolarHBondContact O-N 3.27Å
219	T	89.2	Confident	84.1	Confident	82 Å²	82	87 Å²	87	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-64.1	-43	176.3	-55.3	0	0	0	0	110.7	N216 I222 Q223	N216-T219 PolarHBondContact O-N 3.15Å; N216-T219 VanDerWaalsContact O-N 3.12Å; T219-I222 PolarHBondContact O-N 3.39Å; T219-Q223 PolarHBondContact O-N 3.25Å; T219-Q223 VanDerWaalsContact O-N 3.14Å
220	Q	83.2	Confident	84.1	Confident	24 Å²	24	87.5 Å²	87.5	11%	0.112	44%	0.443	C	S	.	.	H	α-helix	trans	-67.1	-35.5	179.1	-164.1	61.6	34.9	0	0	112.3	E204 L208 V211 N216 S217 K218 Q223 F224	E204-Q220 PolarHBondContact OE1-NE2 2.99Å; L208-Q220 VanDerWaalsContact CA-CG 3.49Å; L208-Q220 HydrophobicContact CB-CG 3.88Å; L208-Q220 HydrophobicContact CD1-CB 3.93Å; L208-Q220 HydrophobicContact CD1-CG 4.05Å; V211-Q220 HydrophobicContact CG2-CB 3.68Å; V211-Q220 HydrophobicContact CG2-CG 3.76Å; N216-Q220 PolarHBondContact O-N 2.96Å; S217-Q220 PolarHBondContact O-N 2.81Å; K218-Q220 VanDerWaalsContact C-N 3.34Å; Q220-Q223 PolarHBondContact O-N 3.06Å; Q220-F224 WeakPolarHBondContact O-CB 3.25Å; Q220-F224 PolarHBondContact O-N 3.48Å
221	A	84.4	Confident	83.5	Confident	30 Å²	30	80.3 Å²	80.3	25%	0.248	42%	0.417	C	S	.	.	H	α-helix	trans	-63.7	-44.9	175.4	0	0	0	0	0	111.2	L208 S217 K218 Q223 F224 D225	L208-A221 HydrophobicContact CD1-CB 4.01Å; S217-A221 VanDerWaalsContact O-CB 3.32Å; S217-A221 WeakPolarHBondContact O-CB 2.99Å; S217-A221 PolarHBondContact O-N 3.02Å; K218-A221 PolarHBondContact O-N 3.1Å; A221-Q223 VanDerWaalsContact C-N 3.29Å; A221-Q223 PolarHBondContact O-N 3.26Å; A221-F224 PolarHBondContact O-N 3.25Å; A221-D225 VanDerWaalsContact O-CG 3.28Å; A221-D225 PolarHBondContact O-N 3.36Å
222	I	88.7	Confident	82.8	Confident	111 Å²	111	82.2 Å²	82.2	57%	0.569	43%	0.427	S	S	*	.	H	α-helix	trans	-61	-39.2	176	-65.8	165.5	0	0	0	111.3	K218 T219 K226	K218-I222 WeakPolarHBondContact O-CG1 3.47Å; K218-I222 PolarHBondContact O-N 3.27Å; T219-I222 PolarHBondContact O-N 3.39Å; I222-K226 PolarHBondContact O-N 3.29Å
223	Q	85.2	Confident	82.5	Confident	89 Å²	89	80 Å²	80	42%	0.416	43%	0.425	S	S	.	.	H	α-helix	trans	-68.1	-43	176.3	-70.8	180	-28.1	0	0	112.1	E204 T219 Q220 A221 K226 I227	E204-Q223 HydrophobicContact CG-CB 4.47Å; E204-Q223 WeakPolarHBondContact OE1-CB 3.39Å; E204-Q223 PolarHBondContact OE1-OE1 3.28Å; T219-Q223 PolarHBondContact O-N 3.25Å; T219-Q223 VanDerWaalsContact O-N 3.14Å; Q220-Q223 PolarHBondContact O-N 3.06Å; A221-Q223 VanDerWaalsContact C-N 3.29Å; A221-Q223 PolarHBondContact O-N 3.26Å; Q223-K226 PolarHBondContact O-N 3.08Å; Q223-I227 WeakPolarHBondContact O-CG1 3.23Å; Q223-I227 PolarHBondContact O-N 3.26Å
224	F	81.6	Confident	81.4	Confident	27 Å²	27	73.2 Å²	73.2	12%	0.118	39%	0.389	C	S	.	.	H	α-helix	trans	-57.9	-49.5	174.1	172.3	-100.2	0	0	0	111.8	T201 E204 Y205 L208 Q220 A221 K226 I227 N228	T201-F224 HydrophobicContact CG2-CE2 3.78Å; T201-F224 HydrophobicContact CG2-CZ 4.47Å; E204-F224 HydrophobicContact CB-CD2 4.31Å; E204-F224 HydrophobicContact CG-CB 4.02Å; Y205-F224 AromaticContact CD2-CE2 3.96Å; Y205-F224 HydrophobicContact CD2-CE2 3.96Å; Y205-F224 HydrophobicContact CD2-CZ 4.09Å; Y205-F224 HydrophobicContact CG-CE2 4.3Å; L208-F224 HydrophobicContact CD2-CB 4.12Å; L208-F224 HydrophobicContact CD2-CD1 4.2Å; L208-F224 HydrophobicContact CD2-CG 4.14Å; Q220-F224 WeakPolarHBondContact O-CB 3.25Å; Q220-F224 PolarHBondContact O-N 3.48Å; A221-F224 PolarHBondContact O-N 3.25Å; F224-K226 VanDerWaalsContact C-N 3.31Å; F224-K226 PolarHBondContact O-N 3.11Å; F224-I227 PolarHBondContact O-N 3.3Å; F224-I227 VanDerWaalsContact O-N 3.15Å; F224-N228 HydrophobicContact CE1-CB 4.38Å; F224-N228 HydrophobicContact CZ-CB 4.25Å; F224-N228 VanDerWaalsContact O-CB 3.25Å; F224-N228 WeakPolarHBondContact O-CB 3.36Å; F224-N228 PolarHBondContact O-N 3.12Å
225	D	84.5	Confident	80.1	Confident	84 Å²	84	73.2 Å²	73.2	45%	0.449	39%	0.387	S	S	.	.	H	α-helix	trans	-57.7	-45.3	179.9	-69.2	-23.9	0	0	0	111	A221 I227 N228 E229	A221-D225 VanDerWaalsContact O-CG 3.28Å; A221-D225 PolarHBondContact O-N 3.36Å; D225-I227 PolarHBondContact O-N 3.4Å; D225-N228 PolarHBondContact O-N 2.92Å; D225-E229 WeakPolarHBondContact O-CG 3.34Å; D225-E229 PolarHBondContact O-N 3.08Å
226	K	88.8	Confident	79.3	Confident	141 Å²	141	73.2 Å²	73.2	61%	0.613	38%	0.379	S	S	*	.	H	α-helix	trans	-61.3	-42	176.8	-174.3	179.8	-178.8	-179.3	0	113	I222 Q223 F224 N230	I222-K226 PolarHBondContact O-N 3.29Å; Q223-K226 PolarHBondContact O-N 3.08Å; F224-K226 VanDerWaalsContact C-N 3.31Å; F224-K226 PolarHBondContact O-N 3.11Å; K226-N230 PolarHBondContact O-N 3.03Å; K226-N230 PolarHBondContact O-ND2 2.86Å
227	I	77.3	Confident	78.4	Confident	42 Å²	42	71.6 Å²	71.6	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-72.1	-38.6	179.2	-67.9	174.9	0	0	0	110.6	T201 E204 Q223 F224 D225 N230 F231	T201-I227 WeakPolarHBondContact OG1-CG2 3.36Å; E204-I227 HydrophobicContact CB-CD1 4.03Å; E204-I227 HydrophobicContact CG-CD1 3.84Å; Q223-I227 WeakPolarHBondContact O-CG1 3.23Å; Q223-I227 PolarHBondContact O-N 3.26Å; F224-I227 PolarHBondContact O-N 3.3Å; F224-I227 VanDerWaalsContact O-N 3.15Å; D225-I227 PolarHBondContact O-N 3.4Å; I227-N230 WeakPolarHBondContact O-CB 3.47Å; I227-N230 PolarHBondContact O-N 3.43Å; I227-F231 PolarHBondContact O-N 3.33Å
228	N	73.3	Confident	77.3	Confident	49 Å²	49	71.4 Å²	71.4	26%	0.262	36%	0.363	S	S	.	.	H	α-helix	trans	-64.3	-39.8	176.9	-173	49.5	0	0	0	112	T201 F224 D225 N230 F231 N232	T201-N228 HydrophobicContact CG2-CB 4.16Å; F224-N228 HydrophobicContact CE1-CB 4.38Å; F224-N228 HydrophobicContact CZ-CB 4.25Å; F224-N228 VanDerWaalsContact O-CB 3.25Å; F224-N228 WeakPolarHBondContact O-CB 3.36Å; F224-N228 PolarHBondContact O-N 3.12Å; D225-N228 PolarHBondContact O-N 2.92Å; N228-N230 PolarHBondContact O-N 3.15Å; N228-F231 PolarHBondContact O-N 2.8Å; N228-N232 PolarHBondContact O-N 3.03Å; N228-N232 PolarHBondContact O-ND2 3.03Å
229	E	82.6	Confident	76.1	Confident	127 Å²	127	69.9 Å²	69.9	59%	0.593	36%	0.357	S	S	*	.	H	α-helix	trans	-59.3	-42.9	171.7	-77.1	177.2	177.9	0	0	112.4	D225 N232 S233	D225-E229 WeakPolarHBondContact O-CG 3.34Å; D225-E229 PolarHBondContact O-N 3.08Å; E229-N232 PolarHBondContact O-N 2.7Å; E229-S233 WeakPolarHBondContact O-CB 3.48Å; E229-S233 PolarHBondContact O-N 2.99Å; E229-S233 PolarHBondContact O-OG 3.35Å
230	N	77.7	Confident	75.1	Confident	82 Å²	82	69.2 Å²	69.2	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-64.8	-39.3	176.4	-72.1	-32.9	0	0	0	112.2	K226 I227 N228 S234	K226-N230 PolarHBondContact O-N 3.03Å; K226-N230 PolarHBondContact O-ND2 2.86Å; I227-N230 WeakPolarHBondContact O-CB 3.47Å; I227-N230 PolarHBondContact O-N 3.43Å; N228-N230 PolarHBondContact O-N 3.15Å; N230-S234 WeakPolarHBondContact O-CB 3.29Å; N230-S234 PolarHBondContact O-N 3.19Å; N230-S234 PolarHBondContact O-OG 3.23Å
231	F	69.6	Low	74.5	Confident	38 Å²	38	71.3 Å²	71.3	17%	0.167	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-49.2	175.7	174.7	-124.1	0	0	0	111.6	N197 C198 T201 I227 N228 S233 S234 L235	N197-F231 HydrophobicContact CB-CB 4.1Å; N197-F231 HydrophobicContact CB-CD2 4Å; C198-F231 HydrophobicContact CB-CD2 4.05Å; C198-F231 HydrophobicContact CB-CE2 3.49Å; C198-F231 VanDerWaalsContact CB-CE2 3.49Å; C198-F231 HydrophobicContact CB-CZ 3.92Å; T201-F231 WeakPolarHBondContact OG1-CB 3.4Å; I227-F231 PolarHBondContact O-N 3.33Å; N228-F231 PolarHBondContact O-N 2.8Å; F231-S233 VanDerWaalsContact C-N 3.32Å; F231-S233 PolarHBondContact O-N 3.15Å; F231-S234 WeakPolarHBondContact O-CB 3.32Å; F231-S234 PolarHBondContact O-N 3.37Å; F231-S234 VanDerWaalsContact O-N 3.08Å; F231-L235 HydrophobicContact CD1-CD1 4.29Å; F231-L235 HydrophobicContact CD2-CG 4.26Å; F231-L235 HydrophobicContact CE1-CD1 3.71Å; F231-L235 HydrophobicContact CE1-CG 4.43Å; F231-L235 HydrophobicContact CE2-CD1 3.96Å; F231-L235 HydrophobicContact CE2-CD2 3.92Å; F231-L235 HydrophobicContact CE2-CG 3.8Å; F231-L235 HydrophobicContact CZ-CD1 3.54Å; F231-L235 HydrophobicContact CZ-CD2 4.1Å; F231-L235 HydrophobicContact CZ-CG 3.92Å; F231-L235 PolarHBondContact O-N 2.72Å
232	N	69.2	Low	73.4	Confident	66 Å²	66	72.5 Å²	72.5	35%	0.353	37%	0.368	S	S	.	.	H	α-helix	trans	-58.6	-43.3	176.7	-73.2	-33.1	0	0	0	112	N228 E229 S234 L235 I236	N228-N232 PolarHBondContact O-N 3.03Å; N228-N232 PolarHBondContact O-ND2 3.03Å; E229-N232 PolarHBondContact O-N 2.7Å; N232-S234 VanDerWaalsContact C-N 3.3Å; N232-S234 PolarHBondContact O-N 3.31Å; N232-L235 PolarHBondContact O-N 3.3Å; N232-I236 WeakPolarHBondContact O-CG1 3.38Å; N232-I236 PolarHBondContact O-N 2.89Å
233	S	77.1	Confident	72.2	Confident	62 Å²	62	72.1 Å²	72.1	43%	0.434	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-40.7	175.7	-59.4	0	0	0	0	111.9	E229 F231 I236 E237	E229-S233 WeakPolarHBondContact O-CB 3.48Å; E229-S233 PolarHBondContact O-N 2.99Å; E229-S233 PolarHBondContact O-OG 3.35Å; F231-S233 VanDerWaalsContact C-N 3.32Å; F231-S233 PolarHBondContact O-N 3.15Å; S233-I236 PolarHBondContact O-N 2.91Å; S233-E237 WeakPolarHBondContact O-CG 3.48Å; S233-E237 PolarHBondContact O-N 3.42Å
234	S	62.3	Low	71.1	Confident	4 Å²	4	71.4 Å²	71.4	3%	0.028	36%	0.363	C	S	.	.	H	α-helix	trans	-69.5	-33.5	178.3	-57.8	0	0	0	0	112.9	N197 N230 F231 N232 L238	N197-S234 PolarHBondContact ND2-OG 2.82Å; N230-S234 WeakPolarHBondContact O-CB 3.29Å; N230-S234 PolarHBondContact O-N 3.19Å; N230-S234 PolarHBondContact O-OG 3.23Å; F231-S234 WeakPolarHBondContact O-CB 3.32Å; F231-S234 PolarHBondContact O-N 3.37Å; F231-S234 VanDerWaalsContact O-N 3.08Å; N232-S234 VanDerWaalsContact C-N 3.3Å; N232-S234 PolarHBondContact O-N 3.31Å; S234-L238 WeakPolarHBondContact O-CB 3.48Å; S234-L238 PolarHBondContact O-N 2.88Å
235	L	60.5	Low	70.3	Confident	54 Å²	54	70.3 Å²	70.3	28%	0.283	36%	0.359	S	S	.	.	H	α-helix	trans	-66.8	-41.2	173.2	-73	179.6	0	0	0	112.1	A194 F231 N232 L238 K239	A194-L235 HydrophobicContact CB-CD2 4.4Å; F231-L235 HydrophobicContact CD1-CD1 4.29Å; F231-L235 HydrophobicContact CD2-CG 4.26Å; F231-L235 HydrophobicContact CE1-CD1 3.71Å; F231-L235 HydrophobicContact CE1-CG 4.43Å; F231-L235 HydrophobicContact CE2-CD1 3.96Å; F231-L235 HydrophobicContact CE2-CD2 3.92Å; F231-L235 HydrophobicContact CE2-CG 3.8Å; F231-L235 HydrophobicContact CZ-CD1 3.54Å; F231-L235 HydrophobicContact CZ-CD2 4.1Å; F231-L235 HydrophobicContact CZ-CG 3.92Å; F231-L235 PolarHBondContact O-N 2.72Å; N232-L235 PolarHBondContact O-N 3.3Å; L235-L238 PolarHBondContact O-N 3.13Å; L235-K239 WeakPolarHBondContact O-CB 3.42Å; L235-K239 PolarHBondContact O-N 3.43Å
236	I	70.1	Confident	69.2	Low	124 Å²	124	70.5 Å²	70.5	64%	0.636	36%	0.356	S	S	*	.	H	α-helix	trans	-62.2	-46.8	175.6	-67.7	167.7	0	0	0	110.3	N232 S233 K239 S240	N232-I236 WeakPolarHBondContact O-CG1 3.38Å; N232-I236 PolarHBondContact O-N 2.89Å; S233-I236 PolarHBondContact O-N 2.91Å; I236-K239 PolarHBondContact O-N 3.41Å; I236-S240 PolarHBondContact O-N 2.88Å; I236-S240 VanDerWaalsContact O-N 3.13Å
237	E	68.7	Low	68	Low	73 Å²	73	68.2 Å²	68.2	34%	0.341	35%	0.35	S	S	.	.	H	α-helix	trans	-57.9	-49.1	175	-75.2	177.8	-171.8	0	0	111.6	H190 K193 S233 K239 S240 K241	H190-E237 IonicContact CE1-OE2 3.7Å; H190-E237 PolarHBondContact CE1-OE2 3.42Å; H190-E237 IonicContact ND1-OE2 3.69Å; H190-E237 PolarHBondContact ND1-OE2 3.18Å; K193-E237 IonicContact NZ-OE1 3.69Å; K193-E237 PolarHBondContact NZ-OE1 3.18Å; K193-E237 IonicContact NZ-OE2 3.1Å; K193-E237 PolarHBondContact NZ-OE2 2.95Å; S233-E237 WeakPolarHBondContact O-CG 3.48Å; S233-E237 PolarHBondContact O-N 3.42Å; E237-K239 VanDerWaalsContact C-N 3.34Å; E237-K239 PolarHBondContact O-N 3.49Å; E237-S240 PolarHBondContact O-N 3.46Å; E237-K241 WeakPolarHBondContact O-CG 3.37Å; E237-K241 PolarHBondContact O-N 2.88Å
238	L	62.2	Low	67.1	Low	30 Å²	30	67.8 Å²	67.8	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-58.1	-45.8	179.3	177	58.8	0	0	0	111.5	M187 H190 R191 A194 S234 L235 S240 K241 V242	M187-L238 HydrophobicContact CG-CD1 4.45Å; H190-L238 HydrophobicContact CB-CD1 4.14Å; R191-L238 HydrophobicContact CB-CD1 4.08Å; A194-L238 HydrophobicContact CB-CD2 3.96Å; S234-L238 WeakPolarHBondContact O-CB 3.48Å; S234-L238 PolarHBondContact O-N 2.88Å; L235-L238 PolarHBondContact O-N 3.13Å; L238-S240 VanDerWaalsContact C-N 3.34Å; L238-S240 PolarHBondContact O-N 2.76Å; L238-K241 PolarHBondContact O-N 3.15Å; L238-K241 VanDerWaalsContact O-N 3.13Å; L238-V242 HydrophobicContact CD1-CG2 4.2Å; L238-V242 WeakPolarHBondContact O-CG2 3.42Å; L238-V242 PolarHBondContact O-N 2.94Å
239	K	62.3	Low	66.6	Low	129 Å²	129	67.1 Å²	67.1	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-57.5	-47.1	178.1	-174.5	-178.4	176.3	-173.8	0	111.5	L235 I236 E237 K241 V242 E243	L235-K239 WeakPolarHBondContact O-CB 3.42Å; L235-K239 PolarHBondContact O-N 3.43Å; I236-K239 PolarHBondContact O-N 3.41Å; E237-K239 VanDerWaalsContact C-N 3.34Å; E237-K239 PolarHBondContact O-N 3.49Å; K239-K241 VanDerWaalsContact C-N 3.3Å; K239-K241 PolarHBondContact O-N 3.35Å; K239-V242 PolarHBondContact O-N 3.35Å; K239-E243 VanDerWaalsContact CE-OE1 3.31Å; K239-E243 WeakPolarHBondContact CE-OE1 3.46Å; K239-E243 WeakPolarHBondContact O-CG 3.4Å; K239-E243 PolarHBondContact O-N 2.93Å
240	S	67.3	Low	65.5	Low	67 Å²	67	65 Å²	65	47%	0.469	33%	0.334	S	S	.	.	H	α-helix	trans	-61.1	-37.8	176.9	177.6	0	0	0	0	112.5	I236 E237 L238 N244	I236-S240 PolarHBondContact O-N 2.88Å; I236-S240 VanDerWaalsContact O-N 3.13Å; E237-S240 PolarHBondContact O-N 3.46Å; L238-S240 VanDerWaalsContact C-N 3.34Å; L238-S240 PolarHBondContact O-N 2.76Å; S240-N244 PolarHBondContact O-N 3.42Å; S240-N244 VanDerWaalsContact O-N 3.08Å
241	K	71.8	Confident	64.5	Low	69 Å²	69	63.1 Å²	63.1	30%	0.3	32%	0.324	S	S	.	.	H	α-helix	trans	-69.4	-38.4	176.5	-63.7	-48	-176.1	-177.9	0	113.1	V186 H190 E237 L238 K239 N244 L245	V186-K241 HydrophobicContact CG1-CD 3.76Å; V186-K241 HydrophobicContact CG1-CG 4.1Å; H190-K241 HydrophobicContact CB-CG 4.35Å; H190-K241 VanDerWaalsContact NE2-CE 3.32Å; H190-K241 WeakPolarHBondContact NE2-CE 3.25Å; E237-K241 WeakPolarHBondContact O-CG 3.37Å; E237-K241 PolarHBondContact O-N 2.88Å; L238-K241 PolarHBondContact O-N 3.15Å; L238-K241 VanDerWaalsContact O-N 3.13Å; K239-K241 VanDerWaalsContact C-N 3.3Å; K239-K241 PolarHBondContact O-N 3.35Å; K241-N244 PolarHBondContact O-N 2.95Å; K241-L245 PolarHBondContact O-N 3.38Å
242	V	60.5	Low	63.9	Low	54 Å²	54	62.2 Å²	62.2	33%	0.327	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-45.5	174.5	172.2	0	0	0	0	110.5	M187 L238 K239 N244 L245 E246	M187-V242 HydrophobicContact CG-CG2 4.18Å; M187-V242 HydrophobicContact SD-CG2 4.04Å; L238-V242 HydrophobicContact CD1-CG2 4.2Å; L238-V242 WeakPolarHBondContact O-CG2 3.42Å; L238-V242 PolarHBondContact O-N 2.94Å; K239-V242 PolarHBondContact O-N 3.35Å; V242-N244 VanDerWaalsContact C-N 3.32Å; V242-N244 PolarHBondContact O-N 3.21Å; V242-L245 WeakPolarHBondContact O-CB 3.41Å; V242-L245 PolarHBondContact O-N 3.36Å; V242-E246 WeakPolarHBondContact O-CG 3.31Å; V242-E246 PolarHBondContact O-N 3.32Å
243	E	63.5	Low	63.2	Low	104 Å²	104	60.7 Å²	60.7	49%	0.486	31%	0.311	S	S	.	.	H	α-helix	trans	-59	-42.7	176.1	-71.9	171	-179.2	0	0	112	K239 E246 I247	K239-E243 VanDerWaalsContact CE-OE1 3.31Å; K239-E243 WeakPolarHBondContact CE-OE1 3.46Å; K239-E243 WeakPolarHBondContact O-CG 3.4Å; K239-E243 PolarHBondContact O-N 2.93Å; E243-E246 PolarHBondContact O-N 3.29Å; E243-I247 WeakPolarHBondContact O-CG1 3.49Å; E243-I247 PolarHBondContact O-N 3.1Å; E243-I247 VanDerWaalsContact O-N 3.1Å
244	N	63	Low	62.1	Low	73 Å²	73	62.1 Å²	62.1	39%	0.39	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-40.5	175.7	-171.6	16.6	0	0	0	112.4	S240 K241 V242 E246 I247 N248	S240-N244 PolarHBondContact O-N 3.42Å; S240-N244 VanDerWaalsContact O-N 3.08Å; K241-N244 PolarHBondContact O-N 2.95Å; V242-N244 VanDerWaalsContact C-N 3.32Å; V242-N244 PolarHBondContact O-N 3.21Å; N244-E246 VanDerWaalsContact C-N 3.35Å; N244-E246 PolarHBondContact O-N 3.4Å; N244-I247 PolarHBondContact O-N 3.1Å; N244-N248 PolarHBondContact O-N 3.2Å; N244-N248 PolarHBondContact O-ND2 2.89Å; N244-N248 PolarHBondContact OD1-ND2 3.37Å; N244-N248 VanDerWaalsContact OD1-ND2 3.08Å
245	L	64.5	Low	61.6	Low	5 Å²	5	66.2 Å²	66.2	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-59.4	-46.7	175.4	175.8	63	0	0	0	111.1	L180 E184 M187 K241 V242 I247 N248 R249	L180-L245 HydrophobicContact CD1-CD1 3.59Å; E184-L245 HydrophobicContact CB-CD1 4.44Å; E184-L245 HydrophobicContact CG-CD1 3.49Å; E184-L245 VanDerWaalsContact CG-CD1 3.49Å; E184-L245 HydrophobicContact CG-CD2 4.36Å; M187-L245 HydrophobicContact CB-CD2 4.41Å; M187-L245 HydrophobicContact CE-CD2 3.68Å; M187-L245 HydrophobicContact CG-CD2 4.46Å; M187-L245 HydrophobicContact SD-CD2 3.36Å; M187-L245 WeakPolarHBondContact SD-CD2 3.47Å; K241-L245 PolarHBondContact O-N 3.38Å; V242-L245 WeakPolarHBondContact O-CB 3.41Å; V242-L245 PolarHBondContact O-N 3.36Å; L245-I247 VanDerWaalsContact C-N 3.32Å; L245-I247 PolarHBondContact O-N 3.21Å; L245-N248 PolarHBondContact O-N 3.14Å; L245-N248 VanDerWaalsContact O-N 3.15Å; L245-R249 WeakPolarHBondContact O-CB 3.48Å; L245-R249 PolarHBondContact O-N 3.32Å
246	E	60.6	Low	61.2	Low	87 Å²	87	64.4 Å²	64.4	41%	0.407	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-41.7	178.1	-70.8	-59.7	148.3	0	0	111.8	V242 E243 N244 N248 R249 I250	V242-E246 WeakPolarHBondContact O-CG 3.31Å; V242-E246 PolarHBondContact O-N 3.32Å; E243-E246 PolarHBondContact O-N 3.29Å; N244-E246 VanDerWaalsContact C-N 3.35Å; N244-E246 PolarHBondContact O-N 3.4Å; E246-N248 PolarHBondContact O-N 3.43Å; E246-R249 PolarHBondContact O-N 3.22Å; E246-I250 WeakPolarHBondContact O-CB 3.38Å; E246-I250 VanDerWaalsContact O-CG1 3.26Å; E246-I250 WeakPolarHBondContact O-CG1 3.49Å; E246-I250 PolarHBondContact O-N 2.65Å
247	I	63.7	Low	60.3	Low	93 Å²	93	62 Å²	62	48%	0.477	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-45.6	174.4	-68.8	165.8	0	0	0	111	E243 N244 L245 I250 N251	E243-I247 WeakPolarHBondContact O-CG1 3.49Å; E243-I247 PolarHBondContact O-N 3.1Å; E243-I247 VanDerWaalsContact O-N 3.1Å; N244-I247 PolarHBondContact O-N 3.1Å; L245-I247 VanDerWaalsContact C-N 3.32Å; L245-I247 PolarHBondContact O-N 3.21Å; I247-I250 PolarHBondContact O-N 3.37Å; I247-N251 WeakPolarHBondContact O-CB 3.31Å; I247-N251 VanDerWaalsContact O-CG 3.31Å; I247-N251 PolarHBondContact O-N 2.97Å; I247-N251 PolarHBondContact O-ND2 2.9Å
248	N	59.5	Low	59.2	Low	33 Å²	33	62.5 Å²	62.5	18%	0.176	32%	0.315	C	S	.	.	H	α-helix	trans	-69.3	-36.6	-179.8	-70.7	-32.9	0	0	0	112.3	S183 N244 L245 E246 N251 Y252	S183-N248 PolarHBondContact OG-ND2 3.45Å; N244-N248 PolarHBondContact O-N 3.2Å; N244-N248 PolarHBondContact O-ND2 2.89Å; N244-N248 PolarHBondContact OD1-ND2 3.37Å; N244-N248 VanDerWaalsContact OD1-ND2 3.08Å; L245-N248 PolarHBondContact O-N 3.14Å; L245-N248 VanDerWaalsContact O-N 3.15Å; E246-N248 PolarHBondContact O-N 3.43Å; N248-N251 PolarHBondContact O-N 3.47Å; N248-Y252 VanDerWaalsContact O-CB 3.32Å; N248-Y252 WeakPolarHBondContact O-CB 3.49Å; N248-Y252 PolarHBondContact O-N 3.23Å
249	R	61.6	Low	58.3	Low	36 Å²	36	67.7 Å²	67.7	14%	0.136	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-47.9	173	-176.4	174.3	-79.8	-179.8	-10.6	111.1	L180 E184 L245 E246 N251 Y252 L253	L180-R249 HydrophobicContact CD1-CB 3.99Å; E184-R249 IonicContact OE1-NH2 3.35Å; L245-R249 WeakPolarHBondContact O-CB 3.48Å; L245-R249 PolarHBondContact O-N 3.32Å; E246-R249 PolarHBondContact O-N 3.22Å; R249-N251 VanDerWaalsContact C-N 3.3Å; R249-N251 PolarHBondContact O-N 3.4Å; R249-Y252 PolarHBondContact O-N 2.83Å; R249-Y252 VanDerWaalsContact O-N 3.17Å; R249-L253 HydrophobicContact CG-CD1 4.13Å; R249-L253 HydrophobicContact CG-CG 4.42Å; R249-L253 WeakPolarHBondContact O-CB 3.22Å; R249-L253 VanDerWaalsContact O-CG 3.25Å; R249-L253 WeakPolarHBondContact O-CG 3.46Å; R249-L253 PolarHBondContact O-N 3.05Å
250	I	59.1	Low	57.6	Low	81 Å²	81	65 Å²	65	42%	0.415	33%	0.33	S	S	.	.	H	α-helix	trans	-57.9	-44.5	174.3	-70.2	165.4	0	0	0	110.8	E246 I247 Y252 L253 K254	E246-I250 WeakPolarHBondContact O-CB 3.38Å; E246-I250 VanDerWaalsContact O-CG1 3.26Å; E246-I250 WeakPolarHBondContact O-CG1 3.49Å; E246-I250 PolarHBondContact O-N 2.65Å; I247-I250 PolarHBondContact O-N 3.37Å; I250-Y252 VanDerWaalsContact C-N 3.33Å; I250-Y252 PolarHBondContact O-N 3.33Å; I250-L253 PolarHBondContact O-N 3Å; I250-K254 WeakPolarHBondContact O-CG 3.32Å; I250-K254 PolarHBondContact O-N 3.33Å
251	N	58.5	Low	56.6	Low	44 Å²	44	63.9 Å²	63.9	24%	0.235	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-37.2	178.3	-75.5	-30.9	0	0	0	112.5	I247 N248 R249 K254 F255	I247-N251 WeakPolarHBondContact O-CB 3.31Å; I247-N251 VanDerWaalsContact O-CG 3.31Å; I247-N251 PolarHBondContact O-N 2.97Å; I247-N251 PolarHBondContact O-ND2 2.9Å; N248-N251 PolarHBondContact O-N 3.47Å; R249-N251 VanDerWaalsContact C-N 3.3Å; R249-N251 PolarHBondContact O-N 3.4Å; N251-K254 PolarHBondContact OD1-NZ 3.43Å; N251-F255 WeakPolarHBondContact O-CD2 3.44Å; N251-F255 VanDerWaalsContact O-CE2 3.22Å; N251-F255 WeakPolarHBondContact O-CE2 3.15Å
252	Y	57	Low	55.2	Low	18 Å²	18	64.4 Å²	64.4	7%	0.071	32%	0.324	C	S	.	.	H	α-helix	trans	-68.3	-46.3	175.9	179.7	-124.3	0	0	0	112.3	Y173 K176 E177 L180 N248 R249 I250 K254 F255 M256	Y173-Y252 HydrophobicContact CE1-CE2 4.26Å; Y173-Y252 AromaticContact CE2-CE2 3.94Å; Y173-Y252 HydrophobicContact CE2-CE2 3.94Å; Y173-Y252 AromaticContact CZ-CE2 3.77Å; Y173-Y252 PolarHBondContact OH-OH 2.95Å; K176-Y252 HydrophobicContact CB-CD2 4Å; E177-Y252 HydrophobicContact CB-CD2 4.32Å; E177-Y252 HydrophobicContact CB-CE2 3.6Å; E177-Y252 HydrophobicContact CG-CE2 4.11Å; L180-Y252 HydrophobicContact CB-CG 4.49Å; L180-Y252 HydrophobicContact CD2-CD1 3.22Å; L180-Y252 HydrophobicContact CD2-CE1 3.65Å; L180-Y252 HydrophobicContact CD2-CG 3.87Å; L180-Y252 HydrophobicContact CG-CD1 4.49Å; N248-Y252 VanDerWaalsContact O-CB 3.32Å; N248-Y252 WeakPolarHBondContact O-CB 3.49Å; N248-Y252 PolarHBondContact O-N 3.23Å; R249-Y252 PolarHBondContact O-N 2.83Å; R249-Y252 VanDerWaalsContact O-N 3.17Å; I250-Y252 VanDerWaalsContact C-N 3.33Å; I250-Y252 PolarHBondContact O-N 3.33Å; Y252-K254 PolarHBondContact O-N 3.42Å; Y252-K254 VanDerWaalsContact O-N 3.09Å; Y252-F255 PolarHBondContact O-N 2.88Å; Y252-M256 HydrophobicContact CD1-CE 3.79Å; Y252-M256 HydrophobicContact CD1-CG 4.44Å; Y252-M256 HydrophobicContact CD1-SD 3.68Å; Y252-M256 HydrophobicContact CE1-CE 3.06Å; Y252-M256 HydrophobicContact CE1-CG 4.25Å; Y252-M256 HydrophobicContact CE1-SD 3.59Å; Y252-M256 VanDerWaalsContact CE1-SD 3.59Å; Y252-M256 HydrophobicContact CE2-CG 4.46Å; Y252-M256 HydrophobicContact CG-SD 4.42Å; Y252-M256 PolarHBondContact O-N 3.38Å
253	L	53.2	Low	54.6	Low	34 Å²	34	66.1 Å²	66.1	18%	0.178	33%	0.331	C	S	.	.	H	α-helix	trans	-54.4	-32.8	177.6	-73.9	169.2	0	0	0	112.3	R249 I250 F255 M256 R261	R249-L253 HydrophobicContact CG-CD1 4.13Å; R249-L253 HydrophobicContact CG-CG 4.42Å; R249-L253 WeakPolarHBondContact O-CB 3.22Å; R249-L253 VanDerWaalsContact O-CG 3.25Å; R249-L253 WeakPolarHBondContact O-CG 3.46Å; R249-L253 PolarHBondContact O-N 3.05Å; I250-L253 PolarHBondContact O-N 3Å; L253-F255 PolarHBondContact O-N 3.28Å; L253-M256 HydrophobicContact CD2-SD 3.79Å; L253-M256 PolarHBondContact O-N 3.42Å; L253-R261 HydrophobicContact CD2-CB 4.05Å; L253-R261 HydrophobicContact CD2-CG 4.01Å; L253-R261 WeakPolarHBondContact O-CD 3.37Å; L253-R261 WeakPolarHBondContact O-CG 3.42Å; L253-R261 VanDerWaalsContact O-CZ 3.29Å; L253-R261 PolarHBondContact O-NE 3.27Å; L253-R261 PolarHBondContact O-NH2 3.29Å
254	K	53.9	Low	54	Low	92 Å²	92	62.1 Å²	62.1	40%	0.4	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.9	176.8	-71.5	169.9	-172.3	167.6	0	113.6	W153 I250 N251 Y252 R261	W153-K254 HydrophobicContact CH2-CB 4.05Å; W153-K254 HydrophobicContact CH2-CG 3.92Å; W153-K254 HydrophobicContact CZ3-CB 4.42Å; W153-K254 HydrophobicContact CZ3-CG 4.27Å; I250-K254 WeakPolarHBondContact O-CG 3.32Å; I250-K254 PolarHBondContact O-N 3.33Å; N251-K254 PolarHBondContact OD1-NZ 3.43Å; Y252-K254 PolarHBondContact O-N 3.42Å; Y252-K254 VanDerWaalsContact O-N 3.09Å; K254-R261 PolarHBondContact O-NH2 2.98Å
255	F	53.2	Low	53.2	Low	91 Å²	91	62 Å²	62	40%	0.399	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-13.2	-175.6	-57.2	-83.9	0	0	0	113.5	D172 Y173 K176 N251 Y252 L253	D172-F255 HydrophobicContact CB-CE1 4.31Å; D172-F255 HydrophobicContact CB-CZ 4.39Å; Y173-F255 HydrophobicContact CD2-CB 3.69Å; Y173-F255 HydrophobicContact CE2-CB 4.42Å; K176-F255 HydrophobicContact CB-CD2 4.45Å; K176-F255 HydrophobicContact CD-CE2 4.29Å; K176-F255 HydrophobicContact CG-CD2 3.85Å; K176-F255 HydrophobicContact CG-CE2 3.72Å; N251-F255 WeakPolarHBondContact O-CD2 3.44Å; N251-F255 VanDerWaalsContact O-CE2 3.22Å; N251-F255 WeakPolarHBondContact O-CE2 3.15Å; Y252-F255 PolarHBondContact O-N 2.88Å; L253-F255 PolarHBondContact O-N 3.28Å
256	M	52.1	Low	52.3	Low	16 Å²	16	65.4 Å²	65.4	8%	0.079	33%	0.333	C	S	.	.	S	Bend	trans	-69.7	152.1	173.2	-72.6	170.7	129.2	0	0	111.6	Y173 Y252 L253 E260 R261	Y173-M256 HydrophobicContact CE2-CG 4.05Å; Y252-M256 HydrophobicContact CD1-CE 3.79Å; Y252-M256 HydrophobicContact CD1-CG 4.44Å; Y252-M256 HydrophobicContact CD1-SD 3.68Å; Y252-M256 HydrophobicContact CE1-CE 3.06Å; Y252-M256 HydrophobicContact CE1-CG 4.25Å; Y252-M256 HydrophobicContact CE1-SD 3.59Å; Y252-M256 VanDerWaalsContact CE1-SD 3.59Å; Y252-M256 HydrophobicContact CE2-CG 4.46Å; Y252-M256 HydrophobicContact CG-SD 4.42Å; Y252-M256 PolarHBondContact O-N 3.38Å; L253-M256 HydrophobicContact CD2-SD 3.79Å; L253-M256 PolarHBondContact O-N 3.42Å; M256-E260 HydrophobicContact CB-CB 3.98Å; M256-E260 HydrophobicContact CE-CB 4.33Å; M256-E260 HydrophobicContact CG-CB 4.3Å; M256-R261 HydrophobicContact CB-CG 3.67Å; M256-R261 VanDerWaalsContact O-CZ 3.27Å; M256-R261 PolarHBondContact O-NE 3.14Å; M256-R261 PolarHBondContact O-NH2 3.19Å
257	N	50.8	Low	51.8	Low	73 Å²	73	65 Å²	65	39%	0.39	33%	0.334	S	S	.	.			trans	-72.3	160.7	169.2	79.4	57.2	0	0	0	111	M259 E260 R261	N257-M259 VanDerWaalsContact C-N 3.28Å; N257-M259 PolarHBondContact O-N 3.41Å; N257-M259 PolarHBondContact OD1-N 2.88Å; N257-E260 VanDerWaalsContact CG-OE2 3.26Å; N257-E260 PolarHBondContact N-OE2 3.41Å; N257-E260 WeakPolarHBondContact ND2-CG 3.48Å; N257-E260 PolarHBondContact ND2-OE1 3.44Å; N257-E260 VanDerWaalsContact ND2-OE1 3.08Å; N257-E260 PolarHBondContact ND2-OE2 3.07Å; N257-E260 PolarHBondContact O-N 2.91Å; N257-E260 PolarHBondContact OD1-N 3.48Å; N257-R261 WeakPolarHBondContact O-CG 3.4Å; N257-R261 PolarHBondContact O-N 3.23Å
258	P	44.5	Very low	51.1	Low	84 Å²	84	61.5 Å²	61.5	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-55.8	-35.3	-174.6	-28.6	36.2	0	0	0	115.3	V262	P258-V262 WeakPolarHBondContact O-CG2 3.47Å; P258-V262 PolarHBondContact O-N 3.36Å
259	M	43.3	Very low	50.4	Low	138 Å²	138	64.4 Å²	64.4	68%	0.68	33%	0.333	S	S	*	.	H	α-helix	trans	-73.9	-43.4	179.2	-70.8	-66.5	-73.1	0	0	111.6	N257 R261 V262 I263	N257-M259 VanDerWaalsContact C-N 3.28Å; N257-M259 PolarHBondContact O-N 3.41Å; N257-M259 PolarHBondContact OD1-N 2.88Å; M259-R261 VanDerWaalsContact C-N 3.26Å; M259-R261 PolarHBondContact O-N 3.24Å; M259-V262 PolarHBondContact O-N 3.29Å; M259-V262 VanDerWaalsContact O-N 3.16Å; M259-I263 WeakPolarHBondContact O-CG1 3.32Å; M259-I263 PolarHBondContact O-N 3.39Å
260	E	47.9	Very low	49.6	Very low	74 Å²	74	68 Å²	68	35%	0.346	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-39	174.3	-76.3	165.9	172.8	0	0	111.9	M256 N257 I263 S264	M256-E260 HydrophobicContact CB-CB 3.98Å; M256-E260 HydrophobicContact CE-CB 4.33Å; M256-E260 HydrophobicContact CG-CB 4.3Å; N257-E260 VanDerWaalsContact CG-OE2 3.26Å; N257-E260 PolarHBondContact N-OE2 3.41Å; N257-E260 WeakPolarHBondContact ND2-CG 3.48Å; N257-E260 PolarHBondContact ND2-OE1 3.44Å; N257-E260 VanDerWaalsContact ND2-OE1 3.08Å; N257-E260 PolarHBondContact ND2-OE2 3.07Å; N257-E260 PolarHBondContact O-N 2.91Å; N257-E260 PolarHBondContact OD1-N 3.48Å; E260-I263 PolarHBondContact O-N 3.35Å; E260-S264 WeakPolarHBondContact O-CB 3.45Å; E260-S264 PolarHBondContact O-N 3.13Å
261	R	46.8	Very low	49	Very low	43 Å²	43	69.4 Å²	69.4	16%	0.162	36%	0.356	C	S	.	.	H	α-helix	trans	-61.5	-45.1	175.4	-66.9	174.8	-161.6	-171.7	-4.2	112	L253 K254 M256 N257 M259 S264 V265	L253-R261 HydrophobicContact CD2-CB 4.05Å; L253-R261 HydrophobicContact CD2-CG 4.01Å; L253-R261 WeakPolarHBondContact O-CD 3.37Å; L253-R261 WeakPolarHBondContact O-CG 3.42Å; L253-R261 VanDerWaalsContact O-CZ 3.29Å; L253-R261 PolarHBondContact O-NE 3.27Å; L253-R261 PolarHBondContact O-NH2 3.29Å; K254-R261 PolarHBondContact O-NH2 2.98Å; M256-R261 HydrophobicContact CB-CG 3.67Å; M256-R261 VanDerWaalsContact O-CZ 3.27Å; M256-R261 PolarHBondContact O-NE 3.14Å; M256-R261 PolarHBondContact O-NH2 3.19Å; N257-R261 WeakPolarHBondContact O-CG 3.4Å; N257-R261 PolarHBondContact O-N 3.23Å; M259-R261 VanDerWaalsContact C-N 3.26Å; M259-R261 PolarHBondContact O-N 3.24Å; R261-S264 PolarHBondContact O-N 3Å; R261-V265 VanDerWaalsContact O-CG2 3.26Å; R261-V265 WeakPolarHBondContact O-CG2 3.4Å; R261-V265 PolarHBondContact O-N 3.18Å
262	V	43.1	Very low	48.4	Very low	79 Å²	79	71 Å²	71	48%	0.479	36%	0.362	S	S	.	.	H	α-helix	trans	-63.6	-45.3	179.5	171.9	0	0	0	0	110.4	P258 M259 V265 I266	P258-V262 WeakPolarHBondContact O-CG2 3.47Å; P258-V262 PolarHBondContact O-N 3.36Å; M259-V262 PolarHBondContact O-N 3.29Å; M259-V262 VanDerWaalsContact O-N 3.16Å; V262-V265 PolarHBondContact O-N 3.4Å; V262-I266 HydrophobicContact CG1-CD1 3.86Å; V262-I266 VanDerWaalsContact O-CG1 3.31Å; V262-I266 WeakPolarHBondContact O-CG1 3.4Å; V262-I266 PolarHBondContact O-N 3.02Å
263	I	47.5	Very low	47.5	Very low	91 Å²	91	73.4 Å²	73.4	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-59.2	-50.8	176.4	-65.9	166.9	0	0	0	110.2	M259 E260 V265 I266 D267	M259-I263 WeakPolarHBondContact O-CG1 3.32Å; M259-I263 PolarHBondContact O-N 3.39Å; E260-I263 PolarHBondContact O-N 3.35Å; I263-V265 VanDerWaalsContact C-N 3.29Å; I263-V265 PolarHBondContact O-N 2.83Å; I263-I266 CarbonylContact O-C 3.59Å; I263-I266 WeakPolarHBondContact O-CA 3.34Å; I263-I266 WeakPolarHBondContact O-CB 3.28Å; I263-I266 PolarHBondContact O-N 3.35Å; I263-D267 PolarHBondContact O-N 3.22Å
264	S	49.9	Very low	46.8	Very low	19 Å²	19	75 Å²	75	13%	0.133	39%	0.387	C	S	.	.	H	α-helix	trans	-61.7	-34.3	-179.7	-177.9	0	0	0	0	113.4	E260 R261 A268	E260-S264 WeakPolarHBondContact O-CB 3.45Å; E260-S264 PolarHBondContact O-N 3.13Å; R261-S264 PolarHBondContact O-N 3Å; S264-A268 WeakPolarHBondContact O-CB 3.35Å; S264-A268 PolarHBondContact O-N 2.95Å; S264-A268 VanDerWaalsContact O-N 3.08Å
265	V	47	Very low	46.2	Very low	71 Å²	71	76 Å²	76	43%	0.43	39%	0.393	S	S	.	.	H	α-helix	trans	-68.1	-39.5	172.8	170.1	0	0	0	0	111.1	R261 V262 I263 M269	R261-V265 VanDerWaalsContact O-CG2 3.26Å; R261-V265 WeakPolarHBondContact O-CG2 3.4Å; R261-V265 PolarHBondContact O-N 3.18Å; V262-V265 PolarHBondContact O-N 3.4Å; I263-V265 VanDerWaalsContact C-N 3.29Å; I263-V265 PolarHBondContact O-N 2.83Å; V265-M269 HydrophobicContact CG1-SD 4.14Å; V265-M269 VanDerWaalsContact O-CG 3.23Å; V265-M269 WeakPolarHBondContact O-CG 3.43Å; V265-M269 PolarHBondContact O-N 2.66Å
266	I	45.2	Very low	45.3	Very low	76 Å²	76	74.9 Å²	74.9	39%	0.39	39%	0.388	S	S	.	.	H	α-helix	trans	-64.8	-48.8	175.6	-68.8	166	0	0	0	110.5	V262 I263 A268 M269 E270	V262-I266 HydrophobicContact CG1-CD1 3.86Å; V262-I266 VanDerWaalsContact O-CG1 3.31Å; V262-I266 WeakPolarHBondContact O-CG1 3.4Å; V262-I266 PolarHBondContact O-N 3.02Å; I263-I266 CarbonylContact O-C 3.59Å; I263-I266 WeakPolarHBondContact O-CA 3.34Å; I263-I266 WeakPolarHBondContact O-CB 3.28Å; I263-I266 PolarHBondContact O-N 3.35Å; I266-A268 VanDerWaalsContact C-N 3.27Å; I266-A268 PolarHBondContact O-N 3.05Å; I266-M269 CarbonylContact O-C 3.57Å; I266-M269 WeakPolarHBondContact O-CA 3.44Å; I266-M269 WeakPolarHBondContact O-CB 3.43Å; I266-M269 PolarHBondContact O-N 3.21Å; I266-E270 HydrophobicContact CG2-CG 4.34Å; I266-E270 PolarHBondContact O-N 3.49Å
267	D	50.3	Low	44.6	Very low	78 Å²	78	81.1 Å²	81.1	42%	0.417	41%	0.412	S	S	.	.	H	α-helix	trans	-57.3	-42.8	178.2	-62.3	-17.9	0	0	0	110.9	I263 M269 E270 E271	I263-D267 PolarHBondContact O-N 3.22Å; D267-M269 VanDerWaalsContact C-N 3.32Å; D267-M269 PolarHBondContact O-N 3.38Å; D267-E270 PolarHBondContact O-N 3Å; D267-E271 PolarHBondContact O-N 3.12Å
268	A	49	Very low	43.4	Very low	20 Å²	20	80 Å²	80	17%	0.165	42%	0.418	C	S	.	.	H	α-helix	trans	-63.8	-34.7	174.9	0	0	0	0	0	113.4	S264 I266 E272	S264-A268 WeakPolarHBondContact O-CB 3.35Å; S264-A268 PolarHBondContact O-N 2.95Å; S264-A268 VanDerWaalsContact O-N 3.08Å; I266-A268 VanDerWaalsContact C-N 3.27Å; I266-A268 PolarHBondContact O-N 3.05Å; A268-E272 PolarHBondContact O-N 3.29Å
269	M	44.4	Very low	42.6	Very low	95 Å²	95	83.5 Å²	83.5	47%	0.468	42%	0.424	S	S	.	.	H	α-helix	trans	-69.5	-41.5	174.1	-72.3	171.3	61	0	0	111.2	V265 I266 D267 E272 V273	V265-M269 HydrophobicContact CG1-SD 4.14Å; V265-M269 VanDerWaalsContact O-CG 3.23Å; V265-M269 WeakPolarHBondContact O-CG 3.43Å; V265-M269 PolarHBondContact O-N 2.66Å; I266-M269 CarbonylContact O-C 3.57Å; I266-M269 WeakPolarHBondContact O-CA 3.44Å; I266-M269 WeakPolarHBondContact O-CB 3.43Å; I266-M269 PolarHBondContact O-N 3.21Å; D267-M269 VanDerWaalsContact C-N 3.32Å; D267-M269 PolarHBondContact O-N 3.38Å; M269-E272 PolarHBondContact O-N 2.67Å; M269-V273 VanDerWaalsContact O-CG2 3.26Å; M269-V273 WeakPolarHBondContact O-CG2 3.49Å; M269-V273 PolarHBondContact O-N 3Å
270	E	45	Very low	41.8	Very low	112 Å²	112	86.7 Å²	86.7	52%	0.523	43%	0.43	S	S	.	.	H	α-helix	trans	-63.9	-45.6	176.7	-71	-177.8	171.2	0	0	111.3	I266 D267 E272 V273 D274	I266-E270 HydrophobicContact CG2-CG 4.34Å; I266-E270 PolarHBondContact O-N 3.49Å; D267-E270 PolarHBondContact O-N 3Å; E270-E272 VanDerWaalsContact C-N 3.3Å; E270-E272 PolarHBondContact O-N 3.5Å; E270-V273 CarbonylContact O-C 3.56Å; E270-V273 WeakPolarHBondContact O-CA 3.26Å; E270-V273 WeakPolarHBondContact O-CB 3.4Å; E270-V273 PolarHBondContact O-N 3.03Å; E270-V273 VanDerWaalsContact O-N 3.12Å; E270-D274 PolarHBondContact O-N 3.37Å
271	E	47.5	Very low	40.8	Very low	110 Å²	110	95 Å²	95	51%	0.514	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-36.7	174.3	-74.6	-172.9	161.4	0	0	112.7	D267 V273 H275	D267-E271 PolarHBondContact O-N 3.12Å; E271-V273 VanDerWaalsContact C-N 3.34Å; E271-H275 WeakPolarHBondContact O-CB 3.43Å; E271-H275 PolarHBondContact O-N 3.1Å
272	E	43.8	Very low	40.5	Very low	76 Å²	76	97.7 Å²	97.7	36%	0.355	49%	0.488	S	S	.	.	H	α-helix	trans	-67.6	-36.7	176.2	-169	-175.8	172.2	0	0	111.5	R143 A268 M269 E270 K276	R143-E272 IonicContact NH2-OE2 3.69Å; A268-E272 PolarHBondContact O-N 3.29Å; M269-E272 PolarHBondContact O-N 2.67Å; E270-E272 VanDerWaalsContact C-N 3.3Å; E270-E272 PolarHBondContact O-N 3.5Å; E272-K276 WeakPolarHBondContact O-CB 3.33Å; E272-K276 WeakPolarHBondContact O-CG 3.37Å; E272-K276 PolarHBondContact O-N 3.16Å; E272-K276 VanDerWaalsContact O-N 3.09Å; E272-K276 IonicContact OE1-NZ 3.99Å; E272-K276 PolarHBondContact OE1-NZ 3.48Å
273	V	38.4	Very low	40.3	Very low	70 Å²	70	98.6 Å²	98.6	42%	0.424	49%	0.488	S	S	.	.	H	α-helix	trans	-65.6	-55.9	172.9	166.4	0	0	0	0	108.9	M269 E270 E271 H275 K276 Y277	M269-V273 VanDerWaalsContact O-CG2 3.26Å; M269-V273 WeakPolarHBondContact O-CG2 3.49Å; M269-V273 PolarHBondContact O-N 3Å; E270-V273 CarbonylContact O-C 3.56Å; E270-V273 WeakPolarHBondContact O-CA 3.26Å; E270-V273 WeakPolarHBondContact O-CB 3.4Å; E270-V273 PolarHBondContact O-N 3.03Å; E270-V273 VanDerWaalsContact O-N 3.12Å; E271-V273 VanDerWaalsContact C-N 3.34Å; V273-H275 PolarHBondContact O-N 3.31Å; V273-H275 VanDerWaalsContact O-N 3.15Å; V273-K276 CarbonylContact O-C 3.58Å; V273-K276 PolarHBondContact O-N 3.15Å; V273-Y277 HydrophobicContact CB-CD2 4.01Å; V273-Y277 HydrophobicContact CB-CE2 4.14Å; V273-Y277 HydrophobicContact CG1-CD2 3.42Å; V273-Y277 VanDerWaalsContact CG1-CD2 3.42Å; V273-Y277 HydrophobicContact CG1-CE2 3.77Å; V273-Y277 HydrophobicContact CG2-CE2 4.18Å; V273-Y277 WeakPolarHBondContact O-CB 3.36Å; V273-Y277 WeakPolarHBondContact O-CD2 3.41Å; V273-Y277 PolarHBondContact O-N 2.78Å
274	D	39.8	Very low	39.9	Very low	68 Å²	68	99.1 Å²	99.1	36%	0.364	49%	0.489	S	S	.	.	H	α-helix	trans	-57.2	-35	179.4	-73.3	-9.3	0	0	0	112.6	E270 G278 F279	E270-D274 PolarHBondContact O-N 3.37Å; D274-G278 VanDerWaalsContact O-CA 3.27Å; D274-G278 WeakPolarHBondContact O-CA 3.44Å; D274-G278 PolarHBondContact O-N 3.04Å; D274-F279 HydrophobicContact CB-CD2 4.4Å; D274-F279 PolarHBondContact O-N 3.06Å; D274-F279 VanDerWaalsContact OD1-CD2 3.25Å; D274-F279 WeakPolarHBondContact OD1-CD2 3.46Å
275	H	40.5	Very low	39.4	Very low	111 Å²	111	103.8 Å²	103.8	51%	0.514	51%	0.51	S	S	.	.	H	α-helix	trans	-71.9	-34.5	174.9	-170.4	47.9	0	0	0	113.5	R191 E271 V273	R191-H275 PolarHBondContact NH1-CE1 3.25Å; R191-H275 PolarHBondContact NH1-ND1 2.87Å; R191-H275 PolarHBondContact NH2-CD2 3.29Å; R191-H275 PolarHBondContact NH2-NE2 2.65Å; E271-H275 WeakPolarHBondContact O-CB 3.43Å; E271-H275 PolarHBondContact O-N 3.1Å; V273-H275 PolarHBondContact O-N 3.31Å; V273-H275 VanDerWaalsContact O-N 3.15Å
276	K	34.9	Very low	38.9	Very low	69 Å²	69	105.8 Å²	105.8	30%	0.3	52%	0.515	S	S	.	.	H	α-helix	trans	-80.9	-29.4	176.4	-77	-179	-170.3	159	0	113.5	V96 E272 V273	V96-K276 HydrophobicContact CB-CD 3.94Å; V96-K276 HydrophobicContact CG1-CD 3.82Å; V96-K276 HydrophobicContact CG2-CD 4.27Å; E272-K276 WeakPolarHBondContact O-CB 3.33Å; E272-K276 WeakPolarHBondContact O-CG 3.37Å; E272-K276 PolarHBondContact O-N 3.16Å; E272-K276 VanDerWaalsContact O-N 3.09Å; E272-K276 IonicContact OE1-NZ 3.99Å; E272-K276 PolarHBondContact OE1-NZ 3.48Å; V273-K276 CarbonylContact O-C 3.58Å; V273-K276 PolarHBondContact O-N 3.15Å
277	Y	36.1	Very low	38.5	Very low	147 Å²	147	107.8 Å²	107.8	58%	0.576	52%	0.524	S	S	*	.	H	α-helix	trans	-106.8	-6	-174.4	-57	-68.3	0	0	0	113.3	V273	V273-Y277 HydrophobicContact CB-CD2 4.01Å; V273-Y277 HydrophobicContact CB-CE2 4.14Å; V273-Y277 HydrophobicContact CG1-CD2 3.42Å; V273-Y277 VanDerWaalsContact CG1-CD2 3.42Å; V273-Y277 HydrophobicContact CG1-CE2 3.77Å; V273-Y277 HydrophobicContact CG2-CE2 4.18Å; V273-Y277 WeakPolarHBondContact O-CB 3.36Å; V273-Y277 WeakPolarHBondContact O-CD2 3.41Å; V273-Y277 PolarHBondContact O-N 2.78Å
278	G	27.4	Very low	37.6	Very low	50 Å²	50	109.9 Å²	109.9	52%	0.515	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	76.4	166.9	0	0	0	0	0	113.7	D274 Y280	D274-G278 VanDerWaalsContact O-CA 3.27Å; D274-G278 WeakPolarHBondContact O-CA 3.44Å; D274-G278 PolarHBondContact O-N 3.04Å; G278-Y280 PolarHBondContact O-N 3.09Å
279	F	26.5	Very low	36.7	Very low	157 Å²	157	116.8 Å²	116.8	69%	0.689	56%	0.56	S	S	*	*			trans	-74.9	94.1	155.2	-96.6	-88.2	0	0	0	108.9	D274	D274-F279 HydrophobicContact CB-CD2 4.4Å; D274-F279 PolarHBondContact O-N 3.06Å; D274-F279 VanDerWaalsContact OD1-CD2 3.25Å; D274-F279 WeakPolarHBondContact OD1-CD2 3.46Å
280	Y	26.5	Very low	36.1	Very low	204 Å²	204	118.7 Å²	118.7	80%	0.8	57%	0.567	S	S	*	*			trans	-87	112	147.1	-85	-89.6	0	0	0	106	G278	G278-Y280 PolarHBondContact O-N 3.09Å
281	M	26.9	Very low	35.3	Very low	250 Å²	250	119.3 Å²	119.3	100%	1.232	57%	0.571	S	S	*	*			trans	-63	0	151.9	-72.1	-167.2	-164.5	0	0	109.2

Retrieved 281 of 281 residues in 48.7 ms (Link to these results)

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