A0A3Q0KPA5_SCHMA Loading...

Serine/threonine-protein kinase DDB_G0282963

AlphaFold DB , UniProt , Accession A0A3Q0KPA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 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	38.1	Very low	44.3	Very low	197 Å²	197	124.6 Å²	124.6	97%	0.97	64%	0.642	S	S	*	*				0	-19.3	0	-81.2	178.8	-178.5	0	0	114.8	Q3 E4	M1-Q3 PolarHBondContact O-N 3.39Å; M1-Q3 VanDerWaalsContact O-N 3.15Å; M1-E4 PolarHBondContact O-N 3.35Å
2	I	36.7	Very low	45.2	Very low	143 Å²	143	130.6 Å²	130.6	73%	0.733	65%	0.65	S	S	*	*	H	α-helix	trans	-59.8	-27.8	-178	-57.7	166.9	0	0	0	113.4	E4 C5	I2-E4 VanDerWaalsContact C-N 3.34Å; I2-E4 PolarHBondContact O-N 2.81Å; I2-C5 PolarHBondContact O-N 2.91Å
3	Q	42.6	Very low	46.1	Very low	166 Å²	166	120.8 Å²	120.8	78%	0.776	60%	0.601	S	S	*	*	H	α-helix	trans	-66.1	-27.1	-177.7	-85.2	-177.7	-12.6	0	0	114.9	M1 N6	M1-Q3 PolarHBondContact O-N 3.39Å; M1-Q3 VanDerWaalsContact O-N 3.15Å; Q3-N6 PolarHBondContact O-N 3.22Å
4	E	43	Very low	46.7	Very low	154 Å²	154	115.1 Å²	115.1	72%	0.72	57%	0.574	S	S	*	*	H	α-helix	trans	-74.7	-32.9	-178.8	-76.5	-171.1	151.1	0	0	112.6	M1 I2 N6 K7	M1-E4 PolarHBondContact O-N 3.35Å; I2-E4 VanDerWaalsContact C-N 3.34Å; I2-E4 PolarHBondContact O-N 2.81Å; E4-N6 PolarHBondContact O-N 3.39Å; E4-K7 PolarHBondContact O-N 2.87Å
5	C	40.2	Very low	47.5	Very low	47 Å²	47	116.8 Å²	116.8	32%	0.318	58%	0.577	S	S	.	*	H	α-helix	trans	-64.1	-24.4	177.6	-66.8	0	0	0	0	112.2	I2 K7 C58	I2-C5 PolarHBondContact O-N 2.91Å; C5-K7 VanDerWaalsContact C-N 3.32Å; C5-K7 PolarHBondContact O-N 3.47Å; C5-C58 HydrophobicContact CB-CB 4Å; C5-C58 WeakPolarHBondContact CB-SG 3.48Å; C5-C58 WeakPolarHBondContact SG-CB 3.49Å; C5-C58 CovalentContact SG-SG 2.05Å; C5-C58 PolarHBondContact SG-SG 3.07Å
6	N	41.5	Very low	48.4	Very low	117 Å²	117	115.8 Å²	115.8	63%	0.626	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-9.5	176.5	-70.3	-17.1	0	0	0	114.3	Q3 E4	Q3-N6 PolarHBondContact O-N 3.22Å; E4-N6 PolarHBondContact O-N 3.39Å
7	K	45.6	Very low	49	Very low	172 Å²	172	110 Å²	110	75%	0.748	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	1.3	-179.2	-73.6	-174.3	-179.5	177.3	0	114	E4 C5 K9	E4-K7 PolarHBondContact O-N 2.87Å; C5-K7 VanDerWaalsContact C-N 3.32Å; C5-K7 PolarHBondContact O-N 3.47Å; K7-K9 PolarHBondContact O-N 3.16Å
8	V	48.1	Very low	49.3	Very low	66 Å²	66	106.1 Å²	106.1	40%	0.4	53%	0.525	S	S	.	.	S	Bend	trans	-63.4	115	175.3	-170.9	0	0	0	0	108.5	F62	V8-F62 HydrophobicContact CB-CD2 4.12Å; V8-F62 HydrophobicContact CB-CE2 3.88Å; V8-F62 HydrophobicContact CG1-CD2 4.12Å; V8-F62 HydrophobicContact CG1-CE2 3.4Å; V8-F62 VanDerWaalsContact CG1-CE2 3.4Å; V8-F62 HydrophobicContact CG1-CZ 4.22Å; V8-F62 HydrophobicContact CG2-CD2 4.31Å; V8-F62 HydrophobicContact CG2-CE2 4.4Å
9	K	49.7	Very low	49.8	Very low	158 Å²	158	106.1 Å²	106.1	69%	0.687	52%	0.524	S	S	*	.			trans	-51.9	124.6	-174.8	-69.8	179.2	178.3	178.9	0	109.5	K7 A11 R12	K7-K9 PolarHBondContact O-N 3.16Å; K9-A11 PolarHBondContact O-N 3.5Å; K9-R12 PolarHBondContact O-N 2.96Å
10	P	51.4	Low	50.2	Low	95 Å²	95	104.2 Å²	104.2	62%	0.617	52%	0.515	S	S	*	.	H	α-helix	trans	-57.4	-24.6	-172.5	17.6	-30.1	0	0	0	113.7	C13 L14	P10-C13 WeakPolarHBondContact O-CB 3.43Å; P10-C13 PolarHBondContact O-N 3.16Å; P10-L14 PolarHBondContact O-N 3.28Å
11	A	50.5	Low	50.5	Low	56 Å²	56	103.5 Å²	103.5	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-45	175.6	0	0	0	0	0	113.3	K9 C13 L14 F15	K9-A11 PolarHBondContact O-N 3.5Å; A11-C13 PolarHBondContact O-N 3.38Å; A11-L14 PolarHBondContact O-N 3.09Å; A11-F15 WeakPolarHBondContact O-CD2 3.28Å; A11-F15 PolarHBondContact O-N 3.15Å
12	R	54.8	Low	51.3	Low	196 Å²	196	97.1 Å²	97.1	74%	0.74	48%	0.479	S	S	*	.	H	α-helix	trans	-62.5	-36	177.5	-80	-171.5	176.3	-178.1	-2	111.3	K9 Q16	K9-R12 PolarHBondContact O-N 2.96Å; R12-Q16 WeakPolarHBondContact O-CB 3.33Å; R12-Q16 PolarHBondContact O-N 3.31Å; R12-Q16 VanDerWaalsContact O-N 3.12Å
13	C	57.1	Low	51.9	Low	3 Å²	3	98.9 Å²	98.9	2%	0.02	48%	0.476	C	S	.	.	H	α-helix	trans	-57.1	-47.8	174.5	-126.7	0	0	0	0	112.3	P10 A11 S17 F62 C66	P10-C13 WeakPolarHBondContact O-CB 3.43Å; P10-C13 PolarHBondContact O-N 3.16Å; A11-C13 PolarHBondContact O-N 3.38Å; C13-S17 WeakPolarHBondContact O-CB 2.74Å; C13-S17 PolarHBondContact O-N 3.02Å; C13-F62 HydrophobicContact CB-CE2 4.09Å; C13-F62 HydrophobicContact CB-CZ 4.18Å; C13-F62 WeakPolarHBondContact SG-CE2 3.49Å; C13-F62 VanDerWaalsContact SG-CZ 3.57Å; C13-C66 WeakPolarHBondContact CA-SG 3.44Å; C13-C66 HydrophobicContact CB-CB 3.88Å; C13-C66 WeakPolarHBondContact CB-SG 3.47Å; C13-C66 VanDerWaalsContact SG-CA 3.53Å; C13-C66 WeakPolarHBondContact SG-CB 3.34Å; C13-C66 CovalentContact SG-SG 2.04Å; C13-C66 PolarHBondContact SG-SG 3.11Å
14	L	55.3	Low	52	Low	41 Å²	41	95.6 Å²	95.6	22%	0.215	46%	0.464	C	S	.	.	H	α-helix	trans	-65.9	-46.2	-176.6	-76.5	169.9	0	0	0	111.6	P10 A11 S17 L18 S69 L70 F73	P10-L14 PolarHBondContact O-N 3.28Å; A11-L14 PolarHBondContact O-N 3.09Å; L14-S17 PolarHBondContact O-N 3.31Å; L14-L18 VanDerWaalsContact O-CB 3.3Å; L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.5Å; L14-L18 PolarHBondContact O-N 3.4Å; L14-S69 WeakPolarHBondContact CD2-OG 3.43Å; L14-L70 HydrophobicContact CD2-CB 4.37Å; L14-F73 HydrophobicContact CD2-CB 4.48Å
15	F	58.1	Low	51.7	Low	141 Å²	141	94.4 Å²	94.4	62%	0.618	46%	0.463	S	S	*	.	H	α-helix	trans	-63.3	-47	179.3	-72.4	-68.2	0	0	0	111.9	A11 S17 L18 E19	A11-F15 WeakPolarHBondContact O-CD2 3.28Å; A11-F15 PolarHBondContact O-N 3.15Å; F15-S17 PolarHBondContact O-N 2.9Å; F15-L18 PolarHBondContact O-N 3.29Å; F15-E19 WeakPolarHBondContact O-CB 3.36Å; F15-E19 WeakPolarHBondContact O-CG 3.46Å; F15-E19 PolarHBondContact O-N 2.94Å
16	Q	61.7	Low	51.5	Low	100 Å²	100	95.8 Å²	95.8	47%	0.467	47%	0.473	S	S	.	.	H	α-helix	trans	-68.6	-34.4	-178.7	-164.9	159.7	17.7	0	0	112.7	R12 N20	R12-Q16 WeakPolarHBondContact O-CB 3.33Å; R12-Q16 PolarHBondContact O-N 3.31Å; R12-Q16 VanDerWaalsContact O-N 3.12Å; Q16-N20 WeakPolarHBondContact O-CB 3.25Å; Q16-N20 PolarHBondContact O-N 2.86Å; Q16-N20 PolarHBondContact O-ND2 3.33Å
17	S	58.3	Low	51	Low	18 Å²	18	99.6 Å²	99.6	13%	0.126	48%	0.48	C	S	.	.	H	α-helix	trans	-70.8	-38.1	174.9	-168.2	0	0	0	0	112.3	C13 L14 F15 K21	C13-S17 WeakPolarHBondContact O-CB 2.74Å; C13-S17 PolarHBondContact O-N 3.02Å; L14-S17 PolarHBondContact O-N 3.31Å; F15-S17 PolarHBondContact O-N 2.9Å; S17-K21 PolarHBondContact O-N 3.04Å
18	L	55.6	Low	50.2	Low	39 Å²	39	99 Å²	99	20%	0.204	49%	0.485	C	S	.	.	H	α-helix	trans	-63.3	-48.1	171.7	-83.8	164.1	0	0	0	111.2	L14 F15 K21 L22 L70 L81	L14-L18 VanDerWaalsContact O-CB 3.3Å; L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.5Å; L14-L18 PolarHBondContact O-N 3.4Å; F15-L18 PolarHBondContact O-N 3.29Å; L18-K21 PolarHBondContact O-N 2.88Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.42Å; L18-L22 PolarHBondContact O-N 2.83Å; L18-L70 HydrophobicContact CD1-CD1 4.33Å; L18-L70 HydrophobicContact CD2-CD1 3.57Å; L18-L70 HydrophobicContact CG-CD1 3.62Å; L18-L81 HydrophobicContact CD2-CD2 3.54Å
19	E	58	Low	49.3	Very low	107 Å²	107	99.9 Å²	99.9	50%	0.5	49%	0.494	S	S	.	.	H	α-helix	trans	-57.7	-51.4	176.4	-78.9	174.3	173.1	0	0	110.5	F15 K21 L22 W23	F15-E19 WeakPolarHBondContact O-CB 3.36Å; F15-E19 WeakPolarHBondContact O-CG 3.46Å; F15-E19 PolarHBondContact O-N 2.94Å; E19-K21 VanDerWaalsContact C-N 3.32Å; E19-K21 PolarHBondContact O-N 3.22Å; E19-L22 PolarHBondContact O-N 3.28Å; E19-W23 VanDerWaalsContact O-CB 3.28Å; E19-W23 WeakPolarHBondContact O-CB 3.5Å; E19-W23 PolarHBondContact O-N 2.8Å
20	N	58.2	Low	48.4	Very low	67 Å²	67	98.9 Å²	98.9	36%	0.358	50%	0.497	S	S	.	.	H	α-helix	trans	-58	-42	177.6	-73.2	-13.6	0	0	0	112.1	Q16 N24	Q16-N20 WeakPolarHBondContact O-CB 3.25Å; Q16-N20 PolarHBondContact O-N 2.86Å; Q16-N20 PolarHBondContact O-ND2 3.33Å; N20-N24 WeakPolarHBondContact O-CA 3.31Å; N20-N24 WeakPolarHBondContact O-CB 3.42Å; N20-N24 PolarHBondContact O-N 3.29Å; N20-N24 PolarHBondContact O-ND2 3.41Å
21	K	57.2	Low	47.3	Very low	90 Å²	90	102.7 Å²	102.7	39%	0.391	51%	0.512	S	S	.	.	H	α-helix	trans	-70.6	-33.3	177.7	-82.8	-163.3	-173.6	177.1	0	114.1	S17 L18 E19 L70 L81	S17-K21 PolarHBondContact O-N 3.04Å; L18-K21 PolarHBondContact O-N 2.88Å; E19-K21 VanDerWaalsContact C-N 3.32Å; E19-K21 PolarHBondContact O-N 3.22Å; K21-L70 HydrophobicContact CD-CD2 3.69Å; K21-L70 HydrophobicContact CG-CD2 4.38Å; K21-L81 HydrophobicContact CD-CD1 3.92Å
22	L	53.3	Low	46.3	Very low	64 Å²	64	107.4 Å²	107.4	34%	0.335	53%	0.529	S	S	.	.	H	α-helix	trans	-78.4	-35.8	179.5	-70.3	169.5	0	0	0	111.4	L18 E19	L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.42Å; L18-L22 PolarHBondContact O-N 2.83Å; E19-L22 PolarHBondContact O-N 3.28Å
23	W	50.4	Low	45.1	Very low	179 Å²	179	105.2 Å²	105.2	68%	0.678	53%	0.532	S	S	*	.	H	α-helix	trans	-103.5	-20.3	-171.3	-64.6	100.6	0	0	0	115.1	E19 N25 S26	E19-W23 VanDerWaalsContact O-CB 3.28Å; E19-W23 WeakPolarHBondContact O-CB 3.5Å; E19-W23 PolarHBondContact O-N 2.8Å; W23-N25 PolarHBondContact O-N 2.9Å; W23-S26 WeakPolarHBondContact O-CB 3.28Å; W23-S26 PolarHBondContact O-N 3.43Å
24	N	44.6	Very low	44	Very low	98 Å²	98	112.8 Å²	112.8	52%	0.524	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.5	4.7	-176.9	-75.9	-11.7	0	0	0	115.6	N20 S26	N20-N24 WeakPolarHBondContact O-CA 3.31Å; N20-N24 WeakPolarHBondContact O-CB 3.42Å; N20-N24 PolarHBondContact O-N 3.29Å; N20-N24 PolarHBondContact O-ND2 3.41Å; N24-S26 VanDerWaalsContact C-N 3.33Å
25	N	36.8	Very low	42.8	Very low	128 Å²	128	118.4 Å²	118.4	68%	0.684	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-1.9	163.7	-83.3	14.2	0	0	0	113.3	W23	W23-N25 PolarHBondContact O-N 2.9Å
26	S	35.6	Very low	41.4	Very low	77 Å²	77	118.7 Å²	118.7	54%	0.538	61%	0.611	S	S	.	*	S	Bend	trans	-91.9	-13.7	179.8	-166.6	0	0	0	0	114.8	W23 N24	W23-S26 WeakPolarHBondContact O-CB 3.28Å; W23-S26 PolarHBondContact O-N 3.43Å; N24-S26 VanDerWaalsContact C-N 3.33Å
27	Y	30.1	Very low	40	Very low	196 Å²	196	121.2 Å²	121.2	77%	0.769	63%	0.627	S	S	*	*			trans	-135.1	38.8	-171.4	-72.4	-80.2	0	0	0	114.1	S29	Y27-S29 PolarHBondContact O-N 2.05Å
28	N	28.9	Very low	38.8	Very low	160 Å²	160	127.5 Å²	127.5	86%	0.856	66%	0.659	S	S	*	*			trans	-81.6	11.2	163.8	-106.8	0.7	0	0	0	113.1
29	S	29.8	Very low	37.6	Very low	84 Å²	84	133.1 Å²	133.1	59%	0.587	69%	0.69	S	S	*	*	S	Bend	trans	-97.5	125.2	169.3	-141.1	0	0	0	0	109.7	Y27	Y27-S29 PolarHBondContact O-N 2.05Å
30	D	31.6	Very low	36.4	Very low	138 Å²	138	135.3 Å²	135.3	74%	0.738	71%	0.705	S	S	*	*			trans	95.1	18.8	150.4	-48.5	-15.1	0	0	0	120.3	N32	D30-N32 PolarHBondContact O-N 2.71Å
31	N	28.1	Very low	35.3	Very low	174 Å²	174	139.1 Å²	139.1	93%	0.93	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	16.5	169.5	-118.7	2.8	0	0	0	115.2
32	N	29.4	Very low	34.2	Very low	155 Å²	155	141.7 Å²	141.7	83%	0.829	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	7	-175.2	-138	13.9	0	0	0	116	D30	D30-N32 PolarHBondContact O-N 2.71Å
33	N	29.6	Very low	33.4	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	77%	0.765	S	S	*	*	S	Bend	trans	-130.1	83.4	176.7	-87.9	-17.9	0	0	0	110.9
34	N	33.5	Very low	32.6	Very low	161 Å²	161	144.3 Å²	144.3	86%	0.861	77%	0.771	S	S	*	*			trans	-167.8	16.5	150.3	-97.4	-16.2	0	0	0	114.6	N36	N34-N36 VanDerWaalsContact C-N 3.28Å; N34-N36 PolarHBondContact O-N 2.93Å; N34-N36 VanDerWaalsContact O-N 3.16Å
35	N	29.7	Very low	32.3	Very low	160 Å²	160	143.9 Å²	143.9	86%	0.856	77%	0.769	S	S	*	*			trans	-85.5	75	164.2	-95.5	-5.4	0	0	0	108.9
36	N	29.9	Very low	32.5	Very low	147 Å²	147	144.4 Å²	144.4	79%	0.786	77%	0.771	S	S	*	*			trans	-176.6	87.6	157.5	-91.2	-20.4	0	0	0	106.8	N34	N34-N36 VanDerWaalsContact C-N 3.28Å; N34-N36 PolarHBondContact O-N 2.93Å; N34-N36 VanDerWaalsContact O-N 3.16Å
37	N	30.9	Very low	32.8	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	78%	0.779	S	S	*	*			trans	179.2	140.7	137.3	-87.9	-22.9	0	0	0	111.1
38	N	33.9	Very low	33.5	Very low	150 Å²	150	141.2 Å²	141.2	80%	0.802	77%	0.769	S	S	*	*			trans	87.8	64.2	169	-53.3	-17.2	0	0	0	116.5	N40	N38-N40 PolarHBondContact O-N 3.36Å
39	N	30.2	Very low	33.9	Very low	158 Å²	158	139.6 Å²	139.6	85%	0.845	76%	0.756	S	S	*	*				-54.8	113.4	128.9	-72.7	-27.5	0	0	0	108
40	N	33.6	Very low	34.3	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	75%	0.752	S	S	*	*			trans	176.3	141.3	145.7	-88.4	-20.8	0	0	0	110.3	N38	N38-N40 PolarHBondContact O-N 3.36Å
41	N	33.2	Very low	34.8	Very low	148 Å²	148	140.6 Å²	140.6	79%	0.791	75%	0.75	S	S	*	*			trans	96.2	86.6	172.3	-64.2	-10.8	0	0	0	117
42	D	35.3	Very low	35.7	Very low	144 Å²	144	135.4 Å²	135.4	77%	0.77	73%	0.726	S	S	*	*			trans	-48.7	153.4	157.8	-60.3	-61.7	0	0	0	114.8
43	N	35.7	Very low	36.7	Very low	147 Å²	147	135.1 Å²	135.1	79%	0.786	71%	0.714	S	S	*	*	S	Bend	trans	88.3	23.1	146	-65.1	-17.9	0	0	0	122.9
44	N	34.4	Very low	37.8	Very low	150 Å²	150	131.7 Å²	131.7	80%	0.802	70%	0.695	S	S	*	*			trans	-139.5	15.9	168	-101.4	-24.3	0	0	0	118
45	N	37.9	Very low	39.3	Very low	90 Å²	90	129 Å²	129	48%	0.481	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.6	1.2	-159.9	-71.9	-21.3	0	0	0	118.5	V47 V48 Q49	N45-V47 VanDerWaalsContact C-N 3.31Å; N45-V47 PolarHBondContact O-N 3.15Å; N45-V48 PolarHBondContact O-N 3.12Å; N45-V48 VanDerWaalsContact O-N 3.16Å; N45-Q49 WeakPolarHBondContact O-CG 3.38Å; N45-Q49 PolarHBondContact O-N 3.36Å
46	N	41.6	Very low	41.1	Very low	138 Å²	138	126.8 Å²	126.8	74%	0.738	67%	0.665	S	S	*	*	H	α-helix	trans	-68.5	-27	-175.7	-75.3	-7.7	0	0	0	114.1
47	V	42.2	Very low	42.8	Very low	116 Å²	116	124.7 Å²	124.7	70%	0.703	65%	0.651	S	S	*	*	H	α-helix	trans	-83.5	-25.8	175.4	-176.9	0	0	0	0	111.5	N45 T50	N45-V47 VanDerWaalsContact C-N 3.31Å; N45-V47 PolarHBondContact O-N 3.15Å; V47-T50 PolarHBondContact O-OG1 2.99Å
48	V	43.7	Very low	44.3	Very low	91 Å²	91	118.8 Å²	118.8	55%	0.552	62%	0.621	S	S	*	*	H	α-helix	trans	-84.1	-26.9	179.7	-174.3	0	0	0	0	111.5	N45 P52	N45-V48 PolarHBondContact O-N 3.12Å; N45-V48 VanDerWaalsContact O-N 3.16Å; V48-P52 WeakPolarHBondContact O-CD 3.33Å; V48-P52 WeakPolarHBondContact O-CG 3.06Å
49	Q	38.6	Very low	46	Very low	125 Å²	125	117 Å²	117	58%	0.584	61%	0.608	S	S	*	*	H	α-helix	trans	-73.4	-25.5	-179.2	-79	-174.6	2.7	0	0	115.2	N45 P52 Y53	N45-Q49 WeakPolarHBondContact O-CG 3.38Å; N45-Q49 PolarHBondContact O-N 3.36Å; Q49-P52 VanDerWaalsContact O-CD 3.28Å; Q49-P52 WeakPolarHBondContact O-CD 3.17Å; Q49-P52 WeakPolarHBondContact O-CG 3.42Å; Q49-Y53 PolarHBondContact O-N 2.96Å
50	T	38	Very low	48.1	Very low	82 Å²	82	115.8 Å²	115.8	50%	0.503	60%	0.597	S	S	.	*	H	α-helix	trans	-73.1	-34.5	178.8	44	0	0	0	0	112.7	V47 I54	V47-T50 PolarHBondContact O-OG1 2.99Å; T50-I54 WeakPolarHBondContact O-CB 2.97Å; T50-I54 WeakPolarHBondContact O-CD1 3.4Å; T50-I54 VanDerWaalsContact O-CG1 3.25Å; T50-I54 WeakPolarHBondContact O-CG1 3.37Å; T50-I54 PolarHBondContact O-N 3.45Å
51	K	41.6	Very low	49.9	Very low	161 Å²	161	111.7 Å²	111.7	70%	0.7	58%	0.578	S	S	*	*	H	α-helix	trans	-60.2	-50.7	176.6	-80.2	-177.2	177.6	177	0	114.7	Y53 N55	K51-Y53 VanDerWaalsContact C-N 3.35Å; K51-N55 WeakPolarHBondContact O-CB 3.38Å; K51-N55 PolarHBondContact O-N 2.97Å
52	P	46.7	Very low	51.7	Low	65 Å²	65	106.7 Å²	106.7	42%	0.422	55%	0.549	S	S	.	.	H	α-helix	trans	-67.4	-36	179.2	25.7	-32.6	0	0	0	111.3	V48 Q49 N55 Q56	V48-P52 WeakPolarHBondContact O-CD 3.33Å; V48-P52 WeakPolarHBondContact O-CG 3.06Å; Q49-P52 VanDerWaalsContact O-CD 3.28Å; Q49-P52 WeakPolarHBondContact O-CD 3.17Å; Q49-P52 WeakPolarHBondContact O-CG 3.42Å; P52-N55 PolarHBondContact O-N 3.17Å; P52-Q56 WeakPolarHBondContact O-CB 3.18Å; P52-Q56 WeakPolarHBondContact O-CG 3.41Å; P52-Q56 PolarHBondContact O-N 3.29Å
53	Y	51.2	Low	53.7	Low	150 Å²	150	103.7 Å²	103.7	59%	0.588	53%	0.533	S	S	*	.	H	α-helix	trans	-65.7	-46	177.6	-171.3	-96.3	0	0	0	112.3	Q49 K51 N55 Q56 Q57	Q49-Y53 PolarHBondContact O-N 2.96Å; K51-Y53 VanDerWaalsContact C-N 3.35Å; Y53-N55 VanDerWaalsContact C-N 3.28Å; Y53-N55 PolarHBondContact O-N 3.33Å; Y53-Q56 PolarHBondContact O-N 3.33Å; Y53-Q57 WeakPolarHBondContact O-CB 3.48Å; Y53-Q57 PolarHBondContact O-N 2.9Å
54	I	52.1	Low	55.6	Low	78 Å²	78	102.4 Å²	102.4	40%	0.4	53%	0.526	S	S	.	.	H	α-helix	trans	-62.1	-39	175.3	-66.7	164.9	0	0	0	110.7	T50 Q57 C58	T50-I54 WeakPolarHBondContact O-CB 2.97Å; T50-I54 WeakPolarHBondContact O-CD1 3.4Å; T50-I54 VanDerWaalsContact O-CG1 3.25Å; T50-I54 WeakPolarHBondContact O-CG1 3.37Å; T50-I54 PolarHBondContact O-N 3.45Å; I54-Q57 PolarHBondContact O-N 3.45Å; I54-C58 WeakPolarHBondContact O-CB 3.36Å; I54-C58 PolarHBondContact O-N 2.82Å
55	N	65	Low	57.5	Low	106 Å²	106	99.2 Å²	99.2	57%	0.567	51%	0.511	S	S	*	.	H	α-helix	trans	-64.9	-46.2	177.3	-165.9	-10.5	0	0	0	111.4	K51 P52 Y53 Q57 C58 Q59	K51-N55 WeakPolarHBondContact O-CB 3.38Å; K51-N55 PolarHBondContact O-N 2.97Å; P52-N55 PolarHBondContact O-N 3.17Å; Y53-N55 VanDerWaalsContact C-N 3.28Å; Y53-N55 PolarHBondContact O-N 3.33Å; N55-Q57 VanDerWaalsContact C-N 3.34Å; N55-Q57 PolarHBondContact O-N 3.41Å; N55-C58 PolarHBondContact O-N 2.99Å; N55-Q59 VanDerWaalsContact O-CB 3.28Å; N55-Q59 WeakPolarHBondContact O-CB 3.08Å; N55-Q59 PolarHBondContact O-N 3.47Å
56	Q	67.3	Low	59.1	Low	113 Å²	113	95 Å²	95	53%	0.528	49%	0.489	S	S	.	.	H	α-helix	trans	-60.4	-42.8	175.3	-77.1	-177.5	-7.7	0	0	112	P52 Y53 Q59 Q60	P52-Q56 WeakPolarHBondContact O-CB 3.18Å; P52-Q56 WeakPolarHBondContact O-CG 3.41Å; P52-Q56 PolarHBondContact O-N 3.29Å; Y53-Q56 PolarHBondContact O-N 3.33Å; Q56-Q59 PolarHBondContact O-N 3.34Å; Q56-Q60 WeakPolarHBondContact O-CB 3.36Å; Q56-Q60 VanDerWaalsContact O-CG 3.31Å; Q56-Q60 WeakPolarHBondContact O-CG 3.19Å; Q56-Q60 PolarHBondContact O-N 3.35Å
57	Q	64.8	Low	60.8	Low	103 Å²	103	93 Å²	93	48%	0.481	48%	0.475	S	S	.	.	H	α-helix	trans	-66.5	-41	178.3	-164.9	175.9	8.2	0	0	112	Y53 I54 N55 T61	Y53-Q57 WeakPolarHBondContact O-CB 3.48Å; Y53-Q57 PolarHBondContact O-N 2.9Å; I54-Q57 PolarHBondContact O-N 3.45Å; N55-Q57 VanDerWaalsContact C-N 3.34Å; N55-Q57 PolarHBondContact O-N 3.41Å; Q57-T61 WeakPolarHBondContact O-CB 3.19Å; Q57-T61 PolarHBondContact O-N 2.99Å; Q57-T61 PolarHBondContact O-OG1 3.5Å
58	C	63.3	Low	62.5	Low	28 Å²	28	95 Å²	95	19%	0.189	47%	0.474	C	S	.	.	H	α-helix	trans	-65.1	-39.1	173	-82	0	0	0	0	111.9	C5 I54 N55 T61 F62	C5-C58 HydrophobicContact CB-CB 4Å; C5-C58 WeakPolarHBondContact CB-SG 3.48Å; C5-C58 WeakPolarHBondContact SG-CB 3.49Å; C5-C58 CovalentContact SG-SG 2.05Å; C5-C58 PolarHBondContact SG-SG 3.07Å; I54-C58 WeakPolarHBondContact O-CB 3.36Å; I54-C58 PolarHBondContact O-N 2.82Å; N55-C58 PolarHBondContact O-N 2.99Å; C58-T61 PolarHBondContact O-N 3.22Å; C58-F62 WeakPolarHBondContact O-CB 3.39Å; C58-F62 PolarHBondContact O-N 2.96Å
59	Q	69.6	Low	63.9	Low	112 Å²	112	92.3 Å²	92.3	52%	0.523	46%	0.459	S	S	.	.	H	α-helix	trans	-67.3	-41.7	178.1	-166.5	171.4	19.7	0	0	111.6	N55 Q56 F62 N63	N55-Q59 VanDerWaalsContact O-CB 3.28Å; N55-Q59 WeakPolarHBondContact O-CB 3.08Å; N55-Q59 PolarHBondContact O-N 3.47Å; Q56-Q59 PolarHBondContact O-N 3.34Å; Q59-F62 PolarHBondContact O-N 3.02Å; Q59-N63 WeakPolarHBondContact O-CB 3.45Å; Q59-N63 PolarHBondContact O-N 3.39Å; Q59-N63 PolarHBondContact O-ND2 3.18Å
60	Q	75	Confident	65.6	Low	133 Å²	133	86.3 Å²	86.3	62%	0.621	43%	0.432	S	S	*	.	H	α-helix	trans	-62.3	-47.1	172.8	-75.1	178.5	-6.6	0	0	111.5	Q56 F62 N63 L64	Q56-Q60 WeakPolarHBondContact O-CB 3.36Å; Q56-Q60 VanDerWaalsContact O-CG 3.31Å; Q56-Q60 WeakPolarHBondContact O-CG 3.19Å; Q56-Q60 PolarHBondContact O-N 3.35Å; Q60-F62 VanDerWaalsContact C-N 3.33Å; Q60-F62 PolarHBondContact O-N 3.41Å; Q60-N63 PolarHBondContact O-N 3.12Å; Q60-L64 WeakPolarHBondContact O-CB 3.41Å; Q60-L64 PolarHBondContact O-N 3.21Å
61	T	71.5	Confident	67.4	Low	65 Å²	65	85.8 Å²	85.8	40%	0.399	42%	0.423	S	S	.	.	H	α-helix	trans	-62.2	-42.8	178.4	-51.9	0	0	0	0	111	Q57 C58 L64 V65	Q57-T61 WeakPolarHBondContact O-CB 3.19Å; Q57-T61 PolarHBondContact O-N 2.99Å; Q57-T61 PolarHBondContact O-OG1 3.5Å; C58-T61 PolarHBondContact O-N 3.22Å; T61-L64 PolarHBondContact O-N 3.29Å; T61-V65 WeakPolarHBondContact O-CG2 3.21Å; T61-V65 PolarHBondContact O-N 2.94Å
62	F	71.2	Confident	69	Low	44 Å²	44	84.7 Å²	84.7	19%	0.193	42%	0.419	C	S	.	.	H	α-helix	trans	-60	-50.8	175.7	176.7	-101.7	0	0	0	111.4	V8 C13 C58 Q59 Q60 L64 V65 C66	V8-F62 HydrophobicContact CB-CD2 4.12Å; V8-F62 HydrophobicContact CB-CE2 3.88Å; V8-F62 HydrophobicContact CG1-CD2 4.12Å; V8-F62 HydrophobicContact CG1-CE2 3.4Å; V8-F62 VanDerWaalsContact CG1-CE2 3.4Å; V8-F62 HydrophobicContact CG1-CZ 4.22Å; V8-F62 HydrophobicContact CG2-CD2 4.31Å; V8-F62 HydrophobicContact CG2-CE2 4.4Å; C13-F62 HydrophobicContact CB-CE2 4.09Å; C13-F62 HydrophobicContact CB-CZ 4.18Å; C13-F62 WeakPolarHBondContact SG-CE2 3.49Å; C13-F62 VanDerWaalsContact SG-CZ 3.57Å; C58-F62 WeakPolarHBondContact O-CB 3.39Å; C58-F62 PolarHBondContact O-N 2.96Å; Q59-F62 PolarHBondContact O-N 3.02Å; Q60-F62 VanDerWaalsContact C-N 3.33Å; Q60-F62 PolarHBondContact O-N 3.41Å; F62-L64 VanDerWaalsContact C-N 3.26Å; F62-L64 PolarHBondContact O-N 3.25Å; F62-V65 PolarHBondContact O-N 3.4Å; F62-C66 WeakPolarHBondContact CE1-SG 3.19Å; F62-C66 WeakPolarHBondContact CZ-SG 3.16Å; F62-C66 PolarHBondContact O-N 2.84Å; F62-C66 PolarHBondContact O-SG 3.05Å
63	N	76.5	Confident	70.2	Confident	80 Å²	80	85.1 Å²	85.1	43%	0.428	41%	0.414	S	S	.	.	H	α-helix	trans	-57.4	-40.8	178.1	-71.9	-16.6	0	0	0	111.8	Q59 Q60 C66 Q67	Q59-N63 WeakPolarHBondContact O-CB 3.45Å; Q59-N63 PolarHBondContact O-N 3.39Å; Q59-N63 PolarHBondContact O-ND2 3.18Å; Q60-N63 PolarHBondContact O-N 3.12Å; N63-C66 PolarHBondContact O-N 2.04Å; N63-Q67 WeakPolarHBondContact O-CB 3.28Å; N63-Q67 PolarHBondContact O-N 2.85Å
64	L	75.7	Confident	71.3	Confident	121 Å²	121	79 Å²	79	63%	0.634	39%	0.393	S	S	*	.	H	α-helix	trans	-68.8	-39.2	-179.8	-149	138.3	0	0	0	111.9	Q60 T61 F62 Q67 K68	Q60-L64 WeakPolarHBondContact O-CB 3.41Å; Q60-L64 PolarHBondContact O-N 3.21Å; T61-L64 PolarHBondContact O-N 3.29Å; F62-L64 VanDerWaalsContact C-N 3.26Å; F62-L64 PolarHBondContact O-N 3.25Å; L64-Q67 PolarHBondContact O-N 3.35Å; L64-K68 WeakPolarHBondContact O-CB 3.28Å; L64-K68 PolarHBondContact O-N 3.47Å
65	V	74.1	Confident	72.3	Confident	82 Å²	82	84.1 Å²	84.1	50%	0.497	41%	0.407	S	S	.	.	H	α-helix	trans	-66.1	-44.3	172.9	172.7	0	0	0	0	111.1	T61 F62 Q67 K68 S69	T61-V65 WeakPolarHBondContact O-CG2 3.21Å; T61-V65 PolarHBondContact O-N 2.94Å; F62-V65 PolarHBondContact O-N 3.4Å; V65-Q67 VanDerWaalsContact C-N 3.32Å; V65-Q67 PolarHBondContact O-N 2.87Å; V65-K68 PolarHBondContact O-N 3.3Å; V65-S69 PolarHBondContact O-N 3.45Å; V65-S69 PolarHBondContact O-OG 3.06Å
66	C	72.4	Confident	72.8	Confident	3 Å²	3	84.5 Å²	84.5	2%	0.02	41%	0.409	C	S	.	.	H	α-helix	trans	-66	-35.4	177.6	-52	0	0	0	0	111.8	C13 F62 N63 S69 L70	C13-C66 WeakPolarHBondContact CA-SG 3.44Å; C13-C66 HydrophobicContact CB-CB 3.88Å; C13-C66 WeakPolarHBondContact CB-SG 3.47Å; C13-C66 VanDerWaalsContact SG-CA 3.53Å; C13-C66 WeakPolarHBondContact SG-CB 3.34Å; C13-C66 CovalentContact SG-SG 2.04Å; C13-C66 PolarHBondContact SG-SG 3.11Å; F62-C66 WeakPolarHBondContact CE1-SG 3.19Å; F62-C66 WeakPolarHBondContact CZ-SG 3.16Å; F62-C66 PolarHBondContact O-N 2.84Å; F62-C66 PolarHBondContact O-SG 3.05Å; N63-C66 PolarHBondContact O-N 2.04Å; C66-S69 WeakPolarHBondContact CA-OG 3.37Å; C66-S69 PolarHBondContact O-OG 3.2Å; C66-L70 WeakPolarHBondContact O-CB 3.34Å; C66-L70 PolarHBondContact O-N 2.7Å
67	Q	77.3	Confident	72.9	Confident	94 Å²	94	86.4 Å²	86.4	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-45.9	175.3	-178.4	178.2	-9.1	0	0	110.9	N63 L64 V65 S69 L70 E71	N63-Q67 WeakPolarHBondContact O-CB 3.28Å; N63-Q67 PolarHBondContact O-N 2.85Å; L64-Q67 PolarHBondContact O-N 3.35Å; V65-Q67 VanDerWaalsContact C-N 3.32Å; V65-Q67 PolarHBondContact O-N 2.87Å; Q67-S69 PolarHBondContact O-N 3.28Å; Q67-L70 PolarHBondContact O-N 3.47Å; Q67-E71 PolarHBondContact NE2-OE1 3.3Å; Q67-E71 VanDerWaalsContact NE2-OE1 3.11Å; Q67-E71 WeakPolarHBondContact O-CG 3.45Å; Q67-E71 PolarHBondContact O-N 3.47Å
68	K	76.2	Confident	73.2	Confident	159 Å²	159	88.5 Å²	88.5	69%	0.691	43%	0.427	S	S	*	.	H	α-helix	trans	-64.5	-39.4	178.8	-170.1	174.7	-176.8	175.1	0	112.3	L64 V65 K72	L64-K68 WeakPolarHBondContact O-CB 3.28Å; L64-K68 PolarHBondContact O-N 3.47Å; V65-K68 PolarHBondContact O-N 3.3Å; K68-K72 WeakPolarHBondContact O-CB 3.46Å; K68-K72 PolarHBondContact O-N 3.24Å; K68-K72 VanDerWaalsContact O-N 3.1Å
69	S	74.4	Confident	73.4	Confident	34 Å²	34	89.2 Å²	89.2	24%	0.238	43%	0.429	C	S	.	.	H	α-helix	trans	-67.9	-39.9	175.7	65.7	0	0	0	0	111.6	L14 V65 C66 Q67 K72 F73	L14-S69 WeakPolarHBondContact CD2-OG 3.43Å; V65-S69 PolarHBondContact O-N 3.45Å; V65-S69 PolarHBondContact O-OG 3.06Å; C66-S69 WeakPolarHBondContact CA-OG 3.37Å; C66-S69 PolarHBondContact O-OG 3.2Å; Q67-S69 PolarHBondContact O-N 3.28Å; S69-K72 PolarHBondContact O-N 2.95Å; S69-F73 WeakPolarHBondContact O-CB 3.19Å; S69-F73 PolarHBondContact O-N 2.98Å
70	L	72.9	Confident	73.5	Confident	0 Å²	0	87 Å²	87	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-64.1	-45.7	176	-177.6	60.6	0	0	0	112	L14 L18 K21 C66 Q67 K72 F73 C74 L81	L14-L70 HydrophobicContact CD2-CB 4.37Å; L18-L70 HydrophobicContact CD1-CD1 4.33Å; L18-L70 HydrophobicContact CD2-CD1 3.57Å; L18-L70 HydrophobicContact CG-CD1 3.62Å; K21-L70 HydrophobicContact CD-CD2 3.69Å; K21-L70 HydrophobicContact CG-CD2 4.38Å; C66-L70 WeakPolarHBondContact O-CB 3.34Å; C66-L70 PolarHBondContact O-N 2.7Å; Q67-L70 PolarHBondContact O-N 3.47Å; L70-K72 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 3.09Å; L70-F73 WeakPolarHBondContact O-CB 3.37Å; L70-F73 PolarHBondContact O-N 2.89Å; L70-F73 VanDerWaalsContact O-N 3.16Å; L70-C74 PolarHBondContact O-N 2.92Å; L70-C74 PolarHBondContact O-SG 2.89Å; L70-C74 VanDerWaalsContact O-SG 3.37Å; L70-L81 HydrophobicContact CD1-CD1 4.38Å; L70-L81 HydrophobicContact CD2-CD1 4.12Å; L70-L81 HydrophobicContact CG-CD1 4.32Å
71	E	76.4	Confident	73.1	Confident	70 Å²	70	81.8 Å²	81.8	33%	0.327	40%	0.397	S	S	.	.	H	α-helix	trans	-61.4	-40.9	176.1	-77.9	177.5	-159.4	0	0	112	Q67 F73 C74 R75	Q67-E71 PolarHBondContact NE2-OE1 3.3Å; Q67-E71 VanDerWaalsContact NE2-OE1 3.11Å; Q67-E71 WeakPolarHBondContact O-CG 3.45Å; Q67-E71 PolarHBondContact O-N 3.47Å; E71-F73 VanDerWaalsContact C-N 3.32Å; E71-F73 PolarHBondContact O-N 2.8Å; E71-C74 PolarHBondContact O-N 3.17Å; E71-R75 WeakPolarHBondContact O-CG 3.34Å; E71-R75 PolarHBondContact O-N 2.88Å
72	K	75.2	Confident	72.9	Confident	139 Å²	139	84.2 Å²	84.2	60%	0.604	41%	0.408	S	S	*	.	H	α-helix	trans	-63.9	-39.7	174.9	-169.7	176.5	-177.9	179.8	0	111.5	K68 S69 L70 N76	K68-K72 WeakPolarHBondContact O-CB 3.46Å; K68-K72 PolarHBondContact O-N 3.24Å; K68-K72 VanDerWaalsContact O-N 3.1Å; S69-K72 PolarHBondContact O-N 2.95Å; L70-K72 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 3.09Å; K72-N76 WeakPolarHBondContact O-CB 3.34Å; K72-N76 PolarHBondContact O-N 2.91Å
73	F	73.2	Confident	72.6	Confident	74 Å²	74	89.7 Å²	89.7	33%	0.325	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-48.9	175.5	-172.3	-93.9	0	0	0	111.3	L14 S69 L70 E71 R75 N76 Y77 L79	L14-F73 HydrophobicContact CD2-CB 4.48Å; S69-F73 WeakPolarHBondContact O-CB 3.19Å; S69-F73 PolarHBondContact O-N 2.98Å; L70-F73 WeakPolarHBondContact O-CB 3.37Å; L70-F73 PolarHBondContact O-N 2.89Å; L70-F73 VanDerWaalsContact O-N 3.16Å; E71-F73 VanDerWaalsContact C-N 3.32Å; E71-F73 PolarHBondContact O-N 2.8Å; F73-R75 VanDerWaalsContact C-N 3.33Å; F73-R75 PolarHBondContact O-N 3.12Å; F73-N76 PolarHBondContact O-N 3.47Å; F73-Y77 HydrophobicContact CD1-CD2 4.24Å; F73-Y77 AromaticContact CD2-CD2 3.76Å; F73-Y77 HydrophobicContact CD2-CD2 3.76Å; F73-Y77 AromaticContact CD2-CE2 3.58Å; F73-Y77 HydrophobicContact CD2-CE2 3.58Å; F73-Y77 HydrophobicContact CE1-CD2 4.1Å; F73-Y77 AromaticContact CE2-CD2 3.59Å; F73-Y77 HydrophobicContact CE2-CD2 3.59Å; F73-Y77 AromaticContact CE2-CE2 3.26Å; F73-Y77 HydrophobicContact CE2-CE2 3.26Å; F73-Y77 HydrophobicContact CG-CD2 4.09Å; F73-Y77 HydrophobicContact CG-CE2 4.36Å; F73-Y77 AromaticContact CZ-CD2 3.76Å; F73-Y77 HydrophobicContact CZ-CD2 3.76Å; F73-Y77 AromaticContact CZ-CE2 3.83Å; F73-Y77 HydrophobicContact CZ-CE2 3.83Å; F73-Y77 WeakPolarHBondContact O-CD2 3.42Å; F73-Y77 PolarHBondContact O-N 2.98Å; F73-Y77 VanDerWaalsContact O-N 3.16Å; F73-L79 HydrophobicContact CD1-CD1 4.49Å; F73-L79 HydrophobicContact CE1-CD1 3.86Å
74	C	73.7	Confident	71.9	Confident	22 Å²	22	91.4 Å²	91.4	15%	0.149	44%	0.441	C	S	.	.	H	α-helix	trans	-57.3	-43.3	176.4	-70.7	0	0	0	0	112.3	L70 E71 D78 L79 L81	L70-C74 PolarHBondContact O-N 2.92Å; L70-C74 PolarHBondContact O-SG 2.89Å; L70-C74 VanDerWaalsContact O-SG 3.37Å; E71-C74 PolarHBondContact O-N 3.17Å; C74-D78 WeakPolarHBondContact O-CA 3.39Å; C74-D78 PolarHBondContact O-N 2.92Å; C74-L79 PolarHBondContact O-N 2.84Å; C74-L81 VanDerWaalsContact SG-CD1 3.56Å
75	R	73.2	Confident	71.1	Confident	184 Å²	184	89.2 Å²	89.2	69%	0.694	43%	0.426	S	S	*	.	H	α-helix	trans	-67.6	-38.2	176.8	-70.5	-173.2	-147.6	-156.1	5.4	113.3	E71 F73 Y77	E71-R75 WeakPolarHBondContact O-CG 3.34Å; E71-R75 PolarHBondContact O-N 2.88Å; F73-R75 VanDerWaalsContact C-N 3.33Å; F73-R75 PolarHBondContact O-N 3.12Å; R75-Y77 VanDerWaalsContact C-N 3.26Å; R75-Y77 PolarHBondContact O-N 3Å
76	N	74.7	Confident	70	Confident	114 Å²	114	90 Å²	90	61%	0.61	43%	0.433	S	S	*	.	H	α-helix	trans	-70.2	-24.7	-178.4	-77.3	-6.9	0	0	0	113.1	K72 F73	K72-N76 WeakPolarHBondContact O-CB 3.34Å; K72-N76 PolarHBondContact O-N 2.91Å; F73-N76 PolarHBondContact O-N 3.47Å
77	Y	70.2	Confident	69.1	Low	153 Å²	153	95.9 Å²	95.9	60%	0.6	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	12.7	-175.9	-66.4	-81.3	0	0	0	113.6	F73 R75 L79	F73-Y77 HydrophobicContact CD1-CD2 4.24Å; F73-Y77 AromaticContact CD2-CD2 3.76Å; F73-Y77 HydrophobicContact CD2-CD2 3.76Å; F73-Y77 AromaticContact CD2-CE2 3.58Å; F73-Y77 HydrophobicContact CD2-CE2 3.58Å; F73-Y77 HydrophobicContact CE1-CD2 4.1Å; F73-Y77 AromaticContact CE2-CD2 3.59Å; F73-Y77 HydrophobicContact CE2-CD2 3.59Å; F73-Y77 AromaticContact CE2-CE2 3.26Å; F73-Y77 HydrophobicContact CE2-CE2 3.26Å; F73-Y77 HydrophobicContact CG-CD2 4.09Å; F73-Y77 HydrophobicContact CG-CE2 4.36Å; F73-Y77 AromaticContact CZ-CD2 3.76Å; F73-Y77 HydrophobicContact CZ-CD2 3.76Å; F73-Y77 AromaticContact CZ-CE2 3.83Å; F73-Y77 HydrophobicContact CZ-CE2 3.83Å; F73-Y77 WeakPolarHBondContact O-CD2 3.42Å; F73-Y77 PolarHBondContact O-N 2.98Å; F73-Y77 VanDerWaalsContact O-N 3.16Å; R75-Y77 VanDerWaalsContact C-N 3.26Å; R75-Y77 PolarHBondContact O-N 3Å; Y77-L79 HydrophobicContact CG-CD1 4.41Å; Y77-L79 PolarHBondContact O-N 3.2Å; Y77-L79 VanDerWaalsContact O-N 3.13Å
78	D	71.4	Confident	68	Low	148 Å²	148	96.9 Å²	96.9	79%	0.791	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	44	43.6	-173.9	-82.4	-26.9	0	0	0	113.1	C74 D80	C74-D78 WeakPolarHBondContact O-CA 3.39Å; C74-D78 PolarHBondContact O-N 2.92Å; D78-D80 PolarHBondContact O-N 3.19Å
79	L	67.1	Low	66.8	Low	42 Å²	42	95 Å²	95	22%	0.22	48%	0.478	C	S	.	.			trans	-92	97.4	-172	-122.8	137.9	0	0	0	109.3	F73 C74 Y77 L81 M84	F73-L79 HydrophobicContact CD1-CD1 4.49Å; F73-L79 HydrophobicContact CE1-CD1 3.86Å; C74-L79 PolarHBondContact O-N 2.84Å; Y77-L79 HydrophobicContact CG-CD1 4.41Å; Y77-L79 PolarHBondContact O-N 3.2Å; Y77-L79 VanDerWaalsContact O-N 3.13Å; L79-L81 PolarHBondContact O-N 3.38Å; L79-M84 HydrophobicContact CD2-CE 3.52Å; L79-M84 HydrophobicContact CD2-SD 3.33Å; L79-M84 WeakPolarHBondContact CD2-SD 3.39Å; L79-M84 HydrophobicContact CG-CE 4.21Å
80	D	70.7	Confident	65.5	Low	67 Å²	67	99 Å²	99	36%	0.358	50%	0.503	S	S	.	.			trans	-80.4	98.3	172.1	-171.3	-4.6	0	0	0	110.2	D78 N82 Q83 M84	D78-D80 PolarHBondContact O-N 3.19Å; D80-N82 PolarHBondContact O-N 2.96Å; D80-N82 VanDerWaalsContact O-N 3.16Å; D80-N82 WeakPolarHBondContact OD1-CB 3.16Å; D80-N82 PolarHBondContact OD1-N 3.03Å; D80-Q83 HydrophobicContact CB-CB 4.22Å; D80-Q83 HydrophobicContact CB-CG 4.06Å; D80-Q83 PolarHBondContact O-N 3.16Å; D80-Q83 WeakPolarHBondContact OD2-CG 3.3Å; D80-Q83 PolarHBondContact OD2-NE2 3.34Å; D80-M84 PolarHBondContact O-N 3.42Å
81	L	66.3	Low	64.3	Low	22 Å²	22	105.7 Å²	105.7	12%	0.115	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.1	177.8	-72.3	167.1	0	0	0	112.8	L18 K21 L70 C74 L79 Q83 M84 K85	L18-L81 HydrophobicContact CD2-CD2 3.54Å; K21-L81 HydrophobicContact CD-CD1 3.92Å; L70-L81 HydrophobicContact CD1-CD1 4.38Å; L70-L81 HydrophobicContact CD2-CD1 4.12Å; L70-L81 HydrophobicContact CG-CD1 4.32Å; C74-L81 VanDerWaalsContact SG-CD1 3.56Å; L79-L81 PolarHBondContact O-N 3.38Å; L81-Q83 VanDerWaalsContact C-N 3.32Å; L81-M84 PolarHBondContact O-N 3.02Å; L81-K85 PolarHBondContact O-N 3.37Å
82	N	67.2	Low	62.7	Low	117 Å²	117	108.5 Å²	108.5	63%	0.626	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-31.2	177.4	-64.3	-40.6	0	0	0	111.7	D80	D80-N82 PolarHBondContact O-N 2.96Å; D80-N82 VanDerWaalsContact O-N 3.16Å; D80-N82 WeakPolarHBondContact OD1-CB 3.16Å; D80-N82 PolarHBondContact OD1-N 3.03Å
83	Q	65.2	Low	61.1	Low	158 Å²	158	106.1 Å²	106.1	74%	0.738	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-22.5	174.8	-68	178.8	43.8	0	0	112.8	D80 L81 K85	D80-Q83 HydrophobicContact CB-CB 4.22Å; D80-Q83 HydrophobicContact CB-CG 4.06Å; D80-Q83 PolarHBondContact O-N 3.16Å; D80-Q83 WeakPolarHBondContact OD2-CG 3.3Å; D80-Q83 PolarHBondContact OD2-NE2 3.34Å; L81-Q83 VanDerWaalsContact C-N 3.32Å; Q83-K85 VanDerWaalsContact C-N 3.34Å
84	M	61.5	Low	59.5	Low	117 Å²	117	107.6 Å²	107.6	58%	0.576	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-7.1	176	-73.9	-159.5	160.4	0	0	114.1	L79 D80 L81	L79-M84 HydrophobicContact CD2-CE 3.52Å; L79-M84 HydrophobicContact CD2-SD 3.33Å; L79-M84 WeakPolarHBondContact CD2-SD 3.39Å; L79-M84 HydrophobicContact CG-CE 4.21Å; D80-M84 PolarHBondContact O-N 3.42Å; L81-M84 PolarHBondContact O-N 3.02Å
85	K	60	Low	57.9	Low	75 Å²	75	113.5 Å²	113.5	33%	0.326	59%	0.594	S	S	.	*	S	Bend	trans	-60.5	129.3	173.7	-72.4	-175.4	177.6	-176.1	0	108	L81 Q83 V87	L81-K85 PolarHBondContact O-N 3.37Å; Q83-K85 VanDerWaalsContact C-N 3.34Å; K85-V87 PolarHBondContact O-N 2.83Å
86	P	51.1	Low	56.2	Low	98 Å²	98	111.4 Å²	111.4	64%	0.636	60%	0.597	S	S	*	*			trans	-56.9	120.1	172.1	23	-30.2	0	0	0	107.2	V88	P86-V88 HydrophobicContact CB-CG2 4.38Å; P86-V88 PolarHBondContact O-N 2.95Å
87	V	53.6	Low	54.1	Low	126 Å²	126	115.1 Å²	115.1	76%	0.764	61%	0.611	S	S	*	*			trans	-69.5	89.3	166.6	-178.6	0	0	0	0	104.8	K85 D89	K85-V87 PolarHBondContact O-N 2.83Å; V87-D89 PolarHBondContact O-N 2.92Å
88	V	53.6	Low	52.2	Low	116 Å²	116	110.8 Å²	110.8	70%	0.703	61%	0.612	S	S	*	*			trans	-75.3	90.8	164.5	-175.8	0	0	0	0	104.1	P86 P90	P86-V88 HydrophobicContact CB-CG2 4.38Å; P86-V88 PolarHBondContact O-N 2.95Å; V88-P90 WeakPolarHBondContact O-CD 3.42Å
89	D	50.5	Low	50.5	Low	119 Å²	119	111.6 Å²	111.6	64%	0.636	62%	0.616	S	S	*	*			trans	-54.3	123.1	158.6	-76.6	-31.5	0	0	0	105.1	V87 I91	V87-D89 PolarHBondContact O-N 2.92Å; D89-I91 VanDerWaalsContact C-N 3.3Å; D89-I91 PolarHBondContact O-N 3.39Å
90	P	48.2	Very low	49.1	Very low	117 Å²	117	118.7 Å²	118.7	76%	0.76	65%	0.648	S	S	*	*			trans	-57.7	105.5	173.5	22.7	-29.7	0	0	0	105.3	V88 N92	V88-P90 WeakPolarHBondContact O-CD 3.42Å; P90-N92 PolarHBondContact O-N 2.96Å
91	I	47.8	Very low	47.3	Very low	142 Å²	142	123.4 Å²	123.4	73%	0.728	67%	0.668	S	S	*	*			trans	-64.1	96.7	174.2	-53.5	177.3	0	0	0	103.3	D89 C93	D89-I91 VanDerWaalsContact C-N 3.3Å; D89-I91 PolarHBondContact O-N 3.39Å; I91-C93 HydrophobicContact CG2-CB 4.48Å; I91-C93 WeakPolarHBondContact CG2-SG 3.35Å; I91-C93 PolarHBondContact O-N 3.05Å; I91-C93 PolarHBondContact O-SG 3.43Å; I91-C93 VanDerWaalsContact O-SG 3.37Å
92	N	42.8	Very low	45.8	Very low	129 Å²	129	127.7 Å²	127.7	69%	0.69	69%	0.692	S	S	*	*			trans	-70.7	83.4	165.7	-159.2	22.1	0	0	0	103.6	P90 N94	P90-N92 PolarHBondContact O-N 2.96Å; N92-N94 PolarHBondContact O-N 3.5Å
93	C	40.7	Very low	44.4	Very low	88 Å²	88	130.1 Å²	130.1	60%	0.595	70%	0.699	S	S	*	*			trans	-67.4	63.2	175	-51	0	0	0	0	108.3	I91 I95	I91-C93 HydrophobicContact CG2-CB 4.48Å; I91-C93 WeakPolarHBondContact CG2-SG 3.35Å; I91-C93 PolarHBondContact O-N 3.05Å; I91-C93 PolarHBondContact O-SG 3.43Å; I91-C93 VanDerWaalsContact O-SG 3.37Å; C93-I95 PolarHBondContact O-N 2.96Å
94	N	39.7	Very low	42.9	Very low	105 Å²	105	133.2 Å²	133.2	56%	0.561	70%	0.704	S	S	*	*			trans	-73.1	80.2	159.5	-76.5	-5.9	0	0	0	105.4	N92 N96	N92-N94 PolarHBondContact O-N 3.5Å; N94-N96 PolarHBondContact O-N 3.1Å
95	I	40.5	Very low	41.8	Very low	147 Å²	147	135 Å²	135	75%	0.754	71%	0.711	S	S	*	*			trans	-65.5	86.6	161.3	-58.4	168.6	0	0	0	103.9	C93 E97	C93-I95 PolarHBondContact O-N 2.96Å; I95-E97 PolarHBondContact O-N 3.42Å
96	N	38.5	Very low	40.6	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	73%	0.729	S	S	*	*			trans	-70.8	89.7	170.9	-67.8	-35.2	0	0	0	106.3	N94 G98	N94-N96 PolarHBondContact O-N 3.1Å; N96-G98 PolarHBondContact O-N 2.8Å
97	E	30.4	Very low	40	Very low	193 Å²	193	144.4 Å²	144.4	90%	0.902	74%	0.738	S	S	*	*			trans	-52.4	116.6	149.1	-88.9	-179.4	143.9	0	0	107.2	I95	I95-E97 PolarHBondContact O-N 3.42Å
98	G	29.4	Very low	39.5	Very low	61 Å²	61	147.1 Å²	147.1	63%	0.629	74%	0.742	S	S	*	*			trans	158.1	85.2	178.2	0	0	0	0	0	112.2	N96 Q100	N96-G98 PolarHBondContact O-N 2.8Å; G98-Q100 PolarHBondContact O-N 3.14Å
99	D	35.1	Very low	38.9	Very low	165 Å²	165	150.4 Å²	150.4	88%	0.882	75%	0.749	S	S	*	*			trans	-38.8	104.7	158	-60.9	-54.3	0	0	0	111.4
100	Q	37.8	Very low	38.6	Very low	191 Å²	191	154.5 Å²	154.5	89%	0.893	76%	0.756	S	S	*	*			trans	-118.6	72	156.3	-75.9	-166.3	9.2	0	0	108.4	G98	G98-Q100 PolarHBondContact O-N 3.14Å
101	E	33.1	Very low	38.4	Very low	166 Å²	166	155.2 Å²	155.2	78%	0.776	75%	0.753	S	S	*	*			trans	-60.5	138.7	151.3	-154.3	179.9	-170.2	0	0	108.5
102	N	34.7	Very low	38.3	Very low	113 Å²	113	155 Å²	155	60%	0.604	75%	0.749	S	S	*	*			trans	83.1	75.5	167.7	-53.7	-51.4	0	0	0	119
103	Q	39.1	Very low	38.3	Very low	168 Å²	168	157.1 Å²	157.1	79%	0.785	75%	0.754	S	S	*	*			trans	-133.1	88.2	132	-76.5	-162.8	16.5	0	0	110.9	H105	Q103-H105 VanDerWaalsContact C-N 3.28Å; Q103-H105 PolarHBondContact O-N 2.77Å
104	R	33.3	Very low	38.7	Very low	223 Å²	223	157.2 Å²	157.2	84%	0.842	75%	0.752	S	S	*	*			trans	-68.8	84.1	162.3	-66.8	178.1	176.6	-173.9	-0.9	108.6
105	H	37.3	Very low	39.2	Very low	154 Å²	154	163.5 Å²	163.5	71%	0.713	77%	0.768	S	S	*	*			trans	-109.4	110.1	165	-75.8	-63.3	0	0	0	111.2	Q103	Q103-H105 VanDerWaalsContact C-N 3.28Å; Q103-H105 PolarHBondContact O-N 2.77Å
106	H	35.8	Very low	39.9	Very low	156 Å²	156	164.7 Å²	164.7	72%	0.722	77%	0.77	S	S	*	*			trans	-28.6	144.7	168.1	-68.1	-72.5	0	0	0	118
107	R	37.4	Very low	40.5	Very low	215 Å²	215	167.1 Å²	167.1	81%	0.811	77%	0.774	S	S	*	*			trans	63.6	102.6	142.1	-68	170.8	-178.4	178	1.1	115.4
108	H	43.2	Very low	41.6	Very low	183 Å²	183	166.3 Å²	166.3	85%	0.847	77%	0.77	S	S	*	*				-167.9	109.9	111.2	-87.2	-61.4	0	0	0	107.7	R110	H108-R110 PolarHBondContact O-N 2.95Å
109	H	42	Very low	42.8	Very low	185 Å²	185	167.7 Å²	167.7	86%	0.856	77%	0.767	S	S	*	*			trans	-67	69.8	165.1	-71.1	-75.4	0	0	0	109.1	N111	H109-N111 VanDerWaalsContact C-N 3.32Å; H109-N111 PolarHBondContact O-N 2.73Å
110	R	43.7	Very low	43.8	Very low	205 Å²	205	170.7 Å²	170.7	77%	0.774	77%	0.766	S	S	*	*			trans	-77.5	98.9	155	-97.5	-174.2	174.9	-175.7	-0.6	104.9	H108 Q112	H108-R110 PolarHBondContact O-N 2.95Å; R110-Q112 HydrophobicContact CB-CG 4.46Å; R110-Q112 PolarHBondContact O-N 3.47Å
111	N	44.2	Very low	44.7	Very low	132 Å²	132	169 Å²	169	71%	0.706	76%	0.757	S	S	*	*			trans	-61	71.4	159.8	-69.4	-20.2	0	0	0	107.7	H109 H113	H109-N111 VanDerWaalsContact C-N 3.32Å; H109-N111 PolarHBondContact O-N 2.73Å; N111-H113 VanDerWaalsContact C-N 3.33Å; N111-H113 PolarHBondContact O-N 2.71Å; N111-H113 VanDerWaalsContact O-N 3.08Å
112	Q	46	Very low	46.2	Very low	137 Å²	137	173.2 Å²	173.2	64%	0.64	77%	0.766	S	S	*	*			trans	-67.3	106.2	159.6	-78.3	-174.1	-9.2	0	0	104	R110 T114	R110-Q112 HydrophobicContact CB-CG 4.46Å; R110-Q112 PolarHBondContact O-N 3.47Å; Q112-T114 HydrophobicContact CB-CG2 4.41Å; Q112-T114 PolarHBondContact O-N 3Å
113	H	43.1	Very low	47.6	Very low	174 Å²	174	176.2 Å²	176.2	81%	0.806	78%	0.777	S	S	*	*			trans	-60.5	80.7	157.6	-64.7	-71.4	0	0	0	106.6	N111 R115	N111-H113 VanDerWaalsContact C-N 3.33Å; N111-H113 PolarHBondContact O-N 2.71Å; N111-H113 VanDerWaalsContact O-N 3.08Å; H113-R115 PolarHBondContact O-N 3.31Å
114	T	49.6	Very low	48.6	Very low	90 Å²	90	177.4 Å²	177.4	55%	0.552	78%	0.782	S	S	*	*			trans	-62	96.8	162	45.4	0	0	0	0	104.1	Q112 H116	Q112-T114 HydrophobicContact CB-CG2 4.41Å; Q112-T114 PolarHBondContact O-N 3Å; T114-H116 PolarHBondContact O-N 3.03Å
115	R	49.7	Very low	49.8	Very low	236 Å²	236	173.8 Å²	173.8	89%	0.891	78%	0.779	S	S	*	*			trans	-51.5	102.7	160.7	-85.2	-175.2	176.5	-177	-0.4	104.3	H113 K117	H113-R115 PolarHBondContact O-N 3.31Å; R115-K117 VanDerWaalsContact C-N 3.27Å; R115-K117 PolarHBondContact O-N 3.43Å
116	H	54	Low	50.9	Low	172 Å²	172	171 Å²	171	80%	0.796	77%	0.77	S	S	*	*			trans	-56.7	102.8	170.4	-78.9	-78.1	0	0	0	105.1	T114 Q118	T114-H116 PolarHBondContact O-N 3.03Å; H116-Q118 PolarHBondContact O-N 3.39Å
117	K	50.8	Low	52.1	Low	190 Å²	190	169.6 Å²	169.6	83%	0.826	77%	0.772	S	S	*	*			trans	-57.9	111.9	165.2	-86.4	-178.1	173	-178.8	0	104	R115 T119	R115-K117 VanDerWaalsContact C-N 3.27Å; R115-K117 PolarHBondContact O-N 3.43Å; K117-T119 PolarHBondContact O-N 2.97Å; K117-T119 PolarHBondContact O-OG1 3.16Å
118	Q	54.1	Low	53.1	Low	176 Å²	176	164.8 Å²	164.8	82%	0.822	77%	0.767	S	S	*	*			trans	-66.6	85.5	165.9	-83.1	179.8	-17.5	0	0	106.3	H116	H116-Q118 PolarHBondContact O-N 3.39Å
119	T	55.5	Low	53.9	Low	90 Å²	90	160.7 Å²	160.7	55%	0.552	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-78.4	120.9	169.4	-46.6	0	0	0	0	106.3	K117 H121	K117-T119 PolarHBondContact O-N 2.97Å; K117-T119 PolarHBondContact O-OG1 3.16Å; T119-H121 PolarHBondContact O-CE1 2.83Å; T119-H121 PolarHBondContact O-N 3.36Å; T119-H121 PolarHBondContact O-ND1 3.27Å
120	W	55.9	Low	54.9	Low	229 Å²	229	158.4 Å²	158.4	87%	0.867	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-70.8	121.1	170.7	-72.8	82.5	0	0	0	107.9
121	H	56.6	Low	55.9	Low	154 Å²	154	157.8 Å²	157.8	71%	0.713	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-99.2	130.6	172.4	-60	80.3	0	0	0	107.2	T119 E123	T119-H121 PolarHBondContact O-CE1 2.83Å; T119-H121 PolarHBondContact O-N 3.36Å; T119-H121 PolarHBondContact O-ND1 3.27Å; H121-E123 PolarHBondContact O-N 3.37Å
122	W	65.2	Low	56.8	Low	255 Å²	255	154.8 Å²	154.8	97%	0.966	73%	0.734	S	S	*	*			trans	-74.2	113.2	166.3	-66.7	101.5	0	0	0	107.3	Q124	W122-Q124 PolarHBondContact O-N 3.25Å
123	E	64.2	Low	57.4	Low	177 Å²	177	149.4 Å²	149.4	83%	0.827	71%	0.711	S	S	*	*			trans	-72.9	125.5	165.8	-79.9	-178.2	158.9	0	0	108.5	H121 L125	H121-E123 PolarHBondContact O-N 3.37Å; E123-L125 PolarHBondContact O-N 3Å; E123-L125 VanDerWaalsContact O-N 3.12Å
124	Q	59.2	Low	58.3	Low	192 Å²	192	146.4 Å²	146.4	90%	0.897	71%	0.705	S	S	*	*			trans	-68.1	109.2	170.8	-174.5	173.1	0.7	0	0	107.9	W122 D126	W122-Q124 PolarHBondContact O-N 3.25Å; Q124-D126 PolarHBondContact O-N 3.32Å
125	L	59.3	Low	58.8	Low	147 Å²	147	149.2 Å²	149.2	77%	0.77	71%	0.709	S	S	*	*			trans	-67.4	120.8	172.1	-71.8	168.9	0	0	0	108.5	E123 T127	E123-L125 PolarHBondContact O-N 3Å; E123-L125 VanDerWaalsContact O-N 3.12Å; L125-T127 PolarHBondContact O-N 3.35Å
126	D	59.7	Low	59.1	Low	97 Å²	97	145.7 Å²	145.7	52%	0.519	70%	0.697	S	S	.	*			trans	-62.6	109.6	171.3	-174	-4.3	0	0	0	108.9	Q124 T128	Q124-D126 PolarHBondContact O-N 3.32Å; D126-T128 VanDerWaalsContact C-N 3.28Å; D126-T128 VanDerWaalsContact OD1-CB 3.28Å; D126-T128 WeakPolarHBondContact OD1-CB 3.35Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.32Å; D126-T128 PolarHBondContact OD1-N 3.2Å; D126-T128 PolarHBondContact OD1-OG1 3.36Å; D126-T128 PolarHBondContact OD2-OG1 2.93Å
127	T	61.6	Low	59.4	Low	125 Å²	125	141.4 Å²	141.4	77%	0.767	68%	0.68	S	S	*	*	S	Bend	trans	-81.5	-9.2	179	57.2	0	0	0	0	112.7	L125 V129	L125-T127 PolarHBondContact O-N 3.35Å; T127-V129 VanDerWaalsContact C-N 3.32Å
128	T	56.8	Low	59.8	Low	115 Å²	115	140.5 Å²	140.5	71%	0.706	68%	0.684	S	S	*	*	S	Bend	trans	-72.1	-33.4	176.1	71.4	0	0	0	0	110.8	D126 N130	D126-T128 VanDerWaalsContact C-N 3.28Å; D126-T128 VanDerWaalsContact OD1-CB 3.28Å; D126-T128 WeakPolarHBondContact OD1-CB 3.35Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.32Å; D126-T128 PolarHBondContact OD1-N 3.2Å; D126-T128 PolarHBondContact OD1-OG1 3.36Å; D126-T128 PolarHBondContact OD2-OG1 2.93Å; T128-N130 PolarHBondContact O-N 2.99Å; T128-N130 VanDerWaalsContact O-N 3.12Å
129	V	60.5	Low	59.7	Low	96 Å²	96	137.8 Å²	137.8	58%	0.582	68%	0.675	S	S	*	*	S	Bend	trans	-82	91.7	172	-170.1	0	0	0	0	107.5	T127 Y131	T127-V129 VanDerWaalsContact C-N 3.32Å; V129-Y131 VanDerWaalsContact C-N 3.32Å; V129-Y131 PolarHBondContact O-N 3.16Å
130	N	63.7	Low	59.4	Low	138 Å²	138	145.1 Å²	145.1	74%	0.738	69%	0.693	S	S	*	*			trans	-55.5	102.4	164.3	-83.3	-36.4	0	0	0	107.6	T128 V132	T128-N130 PolarHBondContact O-N 2.99Å; T128-N130 VanDerWaalsContact O-N 3.12Å; N130-V132 VanDerWaalsContact C-N 3.32Å; N130-V132 PolarHBondContact O-N 3.03Å
131	Y	63.5	Low	59.2	Low	191 Å²	191	138.6 Å²	138.6	75%	0.749	68%	0.681	S	S	*	*			trans	-61.4	101.5	169.8	176.1	-103.2	0	0	0	106.9	V129 P133	V129-Y131 VanDerWaalsContact C-N 3.32Å; V129-Y131 PolarHBondContact O-N 3.16Å; Y131-P133 HydrophobicContact CD1-CG 4.12Å; Y131-P133 HydrophobicContact CE1-CB 4.14Å; Y131-P133 HydrophobicContact CE1-CG 3.75Å; Y131-P133 VanDerWaalsContact O-CD 3.29Å; Y131-P133 WeakPolarHBondContact O-CD 3.25Å
132	V	62.9	Low	58.7	Low	70 Å²	70	139.3 Å²	139.3	42%	0.424	68%	0.684	S	S	.	*			trans	-92.6	109.1	169.1	-178.6	0	0	0	0	105.5	N130 T134 L137	N130-V132 VanDerWaalsContact C-N 3.32Å; N130-V132 PolarHBondContact O-N 3.03Å; V132-T134 PolarHBondContact O-N 2.74Å; V132-L137 HydrophobicContact CB-CD2 4.17Å; V132-L137 HydrophobicContact CG1-CD2 3.7Å; V132-L137 HydrophobicContact CG1-CG 4.11Å
133	P	59.4	Low	57.8	Low	24 Å²	24	130.6 Å²	130.6	16%	0.156	66%	0.663	C	S	.	*			trans	-52.8	138.8	174.2	-22.6	28.4	0	0	0	110.8	Y131 F135 Y136	Y131-P133 HydrophobicContact CD1-CG 4.12Å; Y131-P133 HydrophobicContact CE1-CB 4.14Å; Y131-P133 HydrophobicContact CE1-CG 3.75Å; Y131-P133 VanDerWaalsContact O-CD 3.29Å; Y131-P133 WeakPolarHBondContact O-CD 3.25Å; P133-F135 HydrophobicContact CB-CD1 3.31Å; P133-F135 HydrophobicContact CB-CD2 4.37Å; P133-F135 HydrophobicContact CB-CE1 2.94Å; P133-F135 HydrophobicContact CB-CE2 4.11Å; P133-F135 HydrophobicContact CB-CG 4.03Å; P133-F135 HydrophobicContact CB-CZ 3.38Å; P133-F135 HydrophobicContact CG-CD1 4.43Å; P133-F135 HydrophobicContact CG-CE1 3.66Å; P133-F135 HydrophobicContact CG-CE2 4.44Å; P133-F135 HydrophobicContact CG-CZ 3.63Å; P133-F135 PolarHBondContact O-N 2.89Å; P133-Y136 HydrophobicContact CB-CD2 4.24Å; P133-Y136 HydrophobicContact CG-CD2 4.11Å; P133-Y136 HydrophobicContact CG-CE2 4.32Å; P133-Y136 PolarHBondContact O-N 2.9Å
134	T	62.1	Low	57.1	Low	111 Å²	111	128 Å²	128	68%	0.681	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-56.7	-24.2	-173.8	49.5	0	0	0	0	113.6	V132 Y136 L137	V132-T134 PolarHBondContact O-N 2.74Å; T134-Y136 VanDerWaalsContact C-N 3.26Å; T134-Y136 PolarHBondContact O-N 2.73Å; T134-L137 HydrophobicContact CG2-CD1 4.42Å; T134-L137 PolarHBondContact O-N 2.73Å; T134-L137 VanDerWaalsContact O-N 3.17Å
135	F	59.1	Low	56.5	Low	148 Å²	148	122.2 Å²	122.2	65%	0.649	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-66.7	-21.6	176.2	58.7	-100.5	0	0	0	114.6	P133	P133-F135 HydrophobicContact CB-CD1 3.31Å; P133-F135 HydrophobicContact CB-CD2 4.37Å; P133-F135 HydrophobicContact CB-CE1 2.94Å; P133-F135 HydrophobicContact CB-CE2 4.11Å; P133-F135 HydrophobicContact CB-CG 4.03Å; P133-F135 HydrophobicContact CB-CZ 3.38Å; P133-F135 HydrophobicContact CG-CD1 4.43Å; P133-F135 HydrophobicContact CG-CE1 3.66Å; P133-F135 HydrophobicContact CG-CE2 4.44Å; P133-F135 HydrophobicContact CG-CZ 3.63Å; P133-F135 PolarHBondContact O-N 2.89Å
136	Y	56.9	Low	55.9	Low	163 Å²	163	124 Å²	124	64%	0.639	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-91.4	-13.6	173.3	-69.1	-61.1	0	0	0	113.3	P133 T134 N138	P133-Y136 HydrophobicContact CB-CD2 4.24Å; P133-Y136 HydrophobicContact CG-CD2 4.11Å; P133-Y136 HydrophobicContact CG-CE2 4.32Å; P133-Y136 PolarHBondContact O-N 2.9Å; T134-Y136 VanDerWaalsContact C-N 3.26Å; T134-Y136 PolarHBondContact O-N 2.73Å; Y136-N138 PolarHBondContact O-N 3.37Å
137	L	59.6	Low	55.4	Low	81 Å²	81	126.5 Å²	126.5	42%	0.424	65%	0.645	S	S	.	*	S	Bend	trans	-73.8	115.8	174.8	-60.8	176.1	0	0	0	107.2	V132 T134 N139	V132-L137 HydrophobicContact CB-CD2 4.17Å; V132-L137 HydrophobicContact CG1-CD2 3.7Å; V132-L137 HydrophobicContact CG1-CG 4.11Å; T134-L137 HydrophobicContact CG2-CD1 4.42Å; T134-L137 PolarHBondContact O-N 2.73Å; T134-L137 VanDerWaalsContact O-N 3.17Å; L137-N139 PolarHBondContact O-N 2.99Å
138	N	60	Low	54.8	Low	171 Å²	171	127.3 Å²	127.3	91%	0.914	64%	0.644	S	S	*	*			trans	-61.9	6.5	176.4	-92.1	-13.8	0	0	0	114.1	Y136 R140	Y136-N138 PolarHBondContact O-N 3.37Å; N138-R140 PolarHBondContact O-N 2.84Å
139	N	52.8	Low	54.2	Low	120 Å²	120	130.2 Å²	130.2	64%	0.642	64%	0.642	S	S	*	*	S	Bend	trans	-65.1	130.5	173.9	-71.8	-1.1	0	0	0	108.1	L137 C141	L137-N139 PolarHBondContact O-N 2.99Å; N139-C141 WeakPolarHBondContact CB-SG 3.39Å; N139-C141 PolarHBondContact O-N 3.23Å
140	R	48.7	Very low	53.5	Low	244 Å²	244	129.9 Å²	129.9	92%	0.921	65%	0.645	S	S	*	*			trans	-66.3	57.8	178.5	-154.5	176.7	-167.2	173.6	1.5	109.7	N138 H142	N138-R140 PolarHBondContact O-N 2.84Å; R140-H142 PolarHBondContact O-N 2.83Å
141	C	50.5	Low	52.7	Low	92 Å²	92	130.2 Å²	130.2	62%	0.622	64%	0.641	S	S	*	*			trans	-82.4	2.5	-172.4	-65.3	0	0	0	0	112.8	N139 S143	N139-C141 WeakPolarHBondContact CB-SG 3.39Å; N139-C141 PolarHBondContact O-N 3.23Å; C141-S143 VanDerWaalsContact C-N 3.27Å; C141-S143 PolarHBondContact O-N 2.95Å
142	H	47.7	Very low	52	Low	168 Å²	168	129.6 Å²	129.6	78%	0.778	65%	0.645	S	S	*	*			trans	-93.8	66.1	159.3	-54.4	-37	0	0	0	108	R140	R140-H142 PolarHBondContact O-N 2.83Å
143	S	45.8	Very low	51.4	Low	73 Å²	73	131.8 Å²	131.8	51%	0.51	65%	0.654	S	S	.	*			trans	-62.1	130.1	139.9	52.4	0	0	0	0	105.1	C141 S145	C141-S143 VanDerWaalsContact C-N 3.27Å; C141-S143 PolarHBondContact O-N 2.95Å; S143-S145 PolarHBondContact O-N 2.91Å; S143-S145 PolarHBondContact O-OG 2.76Å; S143-S145 PolarHBondContact OG-OG 3.06Å
144	D	49.1	Very low	51	Low	121 Å²	121	138.9 Å²	138.9	65%	0.647	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	7.4	-175.4	-63.5	-48.3	0	0	0	114.5	Y146 L147	D144-Y146 VanDerWaalsContact C-N 3.25Å; D144-Y146 PolarHBondContact O-N 2.86Å; D144-L147 PolarHBondContact O-N 3.02Å
145	S	47.1	Very low	50.4	Low	71 Å²	71	142.7 Å²	142.7	50%	0.497	69%	0.689	S	S	.	*	H	α-helix	trans	-60.9	-24.6	172.8	51.7	0	0	0	0	114.3	S143 L147 L148 R149	S143-S145 PolarHBondContact O-N 2.91Å; S143-S145 PolarHBondContact O-OG 2.76Å; S143-S145 PolarHBondContact OG-OG 3.06Å; S145-L147 VanDerWaalsContact C-N 3.3Å; S145-L147 PolarHBondContact O-N 3.26Å; S145-L148 PolarHBondContact O-N 3.19Å; S145-R149 PolarHBondContact O-N 3.04Å
146	Y	45.5	Very low	50.2	Low	185 Å²	185	141.2 Å²	141.2	73%	0.725	69%	0.694	S	S	*	*	H	α-helix	trans	-71.2	-27.3	175.9	-158.7	-91.3	0	0	0	112.4	D144 L148	D144-Y146 VanDerWaalsContact C-N 3.25Å; D144-Y146 PolarHBondContact O-N 2.86Å; Y146-L148 VanDerWaalsContact C-N 3.33Å
147	L	49.3	Very low	50.4	Low	149 Å²	149	138.8 Å²	138.8	78%	0.78	70%	0.696	S	S	*	*	H	α-helix	trans	-77	-23.3	172.4	-64.8	177.7	0	0	0	112.1	D144 S145	D144-L147 PolarHBondContact O-N 3.02Å; S145-L147 VanDerWaalsContact C-N 3.3Å; S145-L147 PolarHBondContact O-N 3.26Å
148	L	49.1	Very low	50.3	Low	143 Å²	143	139.8 Å²	139.8	75%	0.749	71%	0.707	S	S	*	*	H	α-helix	trans	-86.3	-7.7	-177.5	-79.6	161.9	0	0	0	114.7	S145 Y146 S150	S145-L148 PolarHBondContact O-N 3.19Å; Y146-L148 VanDerWaalsContact C-N 3.33Å; L148-S150 VanDerWaalsContact C-N 3.25Å; L148-S150 PolarHBondContact O-N 3.41Å; L148-S150 VanDerWaalsContact O-N 3.08Å
149	R	44.5	Very low	50.5	Low	175 Å²	175	137.3 Å²	137.3	66%	0.66	70%	0.701	S	S	*	*			trans	-89.2	65.9	175.1	-151.9	172.1	-172.9	-178.9	1	110.7	S145 H151	S145-R149 PolarHBondContact O-N 3.04Å; R149-H151 PolarHBondContact O-N 3.13Å
150	S	46.6	Very low	50.9	Low	90 Å²	90	138.6 Å²	138.6	63%	0.629	71%	0.708	S	S	*	*			trans	-69.6	-2.6	178.2	61.8	0	0	0	0	114.4	L148	L148-S150 VanDerWaalsContact C-N 3.25Å; L148-S150 PolarHBondContact O-N 3.41Å; L148-S150 VanDerWaalsContact O-N 3.08Å
151	H	47	Very low	51.4	Low	145 Å²	145	132.5 Å²	132.5	67%	0.671	70%	0.698	S	S	*	*	S	Bend	trans	-144.5	129.7	178.9	-59.5	-69.9	0	0	0	112.1	R149	R149-H151 PolarHBondContact O-N 3.13Å
152	Q	49.1	Very low	52.1	Low	178 Å²	178	134 Å²	134	83%	0.832	71%	0.706	S	S	*	*			trans	108.8	6	148.9	-54	-143.7	-23.2	0	0	122.5	E154	Q152-E154 PolarHBondContact O-N 3.07Å
153	N	50.2	Low	52.6	Low	115 Å²	115	133.5 Å²	133.5	62%	0.615	70%	0.704	S	S	*	*			trans	-100.6	86.1	163.8	-75.4	23.1	0	0	0	109.3	Y155	N153-Y155 PolarHBondContact O-N 3Å; N153-Y155 VanDerWaalsContact O-N 3.08Å
154	E	51.3	Low	52.7	Low	174 Å²	174	139.1 Å²	139.1	81%	0.813	72%	0.719	S	S	*	*			trans	-43.5	113.7	163.1	-166	163.8	-162.3	0	0	107.9	Q152	Q152-E154 PolarHBondContact O-N 3.07Å
155	Y	48	Very low	52.9	Low	190 Å²	190	138.9 Å²	138.9	75%	0.745	73%	0.725	S	S	*	*			trans	-54.2	137.3	177.9	-83	-92.9	0	0	0	108.1	N153 V157	N153-Y155 PolarHBondContact O-N 3Å; N153-Y155 VanDerWaalsContact O-N 3.08Å; Y155-V157 PolarHBondContact O-N 2.97Å
156	P	55.2	Low	52.9	Low	118 Å²	118	140.7 Å²	140.7	77%	0.766	73%	0.734	S	S	*	*			trans	-55.5	110.8	177.8	21.4	-31	0	0	0	108.6	P158	P156-P158 WeakPolarHBondContact O-CD 3.33Å
157	V	60.8	Low	52.8	Low	112 Å²	112	137.5 Å²	137.5	68%	0.679	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-68.3	120.8	178.6	179.4	0	0	0	0	106.4	Y155	Y155-V157 PolarHBondContact O-N 2.97Å
158	P	59	Low	52.6	Low	101 Å²	101	139.4 Å²	139.4	66%	0.656	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-59	140.3	177.2	21.5	-29.8	0	0	0	109.5	P156 N160	P156-P158 WeakPolarHBondContact O-CD 3.33Å; P158-N160 PolarHBondContact O-N 2.8Å
159	P	63.3	Low	52.3	Low	120 Å²	120	137.6 Å²	137.6	78%	0.779	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-57.7	143	-178.8	22.7	-32.3	0	0	0	110.7	T161	P159-T161 PolarHBondContact O-N 2.82Å; P159-T161 VanDerWaalsContact O-N 3.15Å
160	N	60.8	Low	52.2	Low	147 Å²	147	133.1 Å²	133.1	79%	0.786	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-57.5	121	176.2	-75.9	-33.9	0	0	0	109.7	P158	P158-N160 PolarHBondContact O-N 2.8Å
161	T	59.9	Low	51.9	Low	116 Å²	116	136.9 Å²	136.9	71%	0.712	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-64.1	142.6	171.3	51.4	0	0	0	0	109.4	P159 H163	P159-T161 PolarHBondContact O-N 2.82Å; P159-T161 VanDerWaalsContact O-N 3.15Å; T161-H163 PolarHBondContact O-N 2.67Å
162	P	65.9	Low	51.6	Low	124 Å²	124	135.5 Å²	135.5	81%	0.805	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-56.1	117	176.5	20.6	-30.2	0	0	0	108.7	K164	P162-K164 PolarHBondContact O-N 2.92Å
163	H	57.8	Low	50.8	Low	156 Å²	156	135.3 Å²	135.3	72%	0.722	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-54.3	127.1	174.3	-72	-92	0	0	0	107.6	T161 C165	T161-H163 PolarHBondContact O-N 2.67Å; H163-C165 PolarHBondContact O-N 3.29Å
164	K	47.9	Very low	50	Low	192 Å²	192	137.8 Å²	137.8	84%	0.835	75%	0.745	S	S	*	*			trans	-56.3	108.8	164.7	-71	-165.4	177.2	-158	0	106	P162 T166	P162-K164 PolarHBondContact O-N 2.92Å; K164-T166 PolarHBondContact O-N 2.63Å
165	C	53.6	Low	49.3	Very low	115 Å²	115	134.4 Å²	134.4	78%	0.777	74%	0.737	S	S	*	*			trans	-60.1	91.6	167.3	-64.5	0	0	0	0	106	H163 T167	H163-C165 PolarHBondContact O-N 3.29Å; C165-T167 PolarHBondContact O-N 2.85Å
166	T	47.2	Very low	48.6	Very low	109 Å²	109	132.9 Å²	132.9	67%	0.669	74%	0.741	S	S	*	*			trans	-73.2	89.3	163	53.1	0	0	0	0	104.2	K164 K168	K164-T166 PolarHBondContact O-N 2.63Å; T166-K168 PolarHBondContact O-N 2.88Å
167	T	43.2	Very low	47.6	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.724	74%	0.739	S	S	*	*			trans	-63.3	87.5	169.3	-28.5	0	0	0	0	105.6	C165 S169	C165-T167 PolarHBondContact O-N 2.85Å; T167-S169 PolarHBondContact O-N 3.14Å
168	K	43.8	Very low	46.3	Very low	190 Å²	190	137.6 Å²	137.6	83%	0.826	75%	0.747	S	S	*	*			trans	-72.9	68.2	166.3	-72.1	-174.2	177.9	-177.8	0	107.1	T166 S170	T166-K168 PolarHBondContact O-N 2.88Å; K168-S170 PolarHBondContact O-N 3.12Å
169	S	43.4	Very low	45.3	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	76%	0.757	S	S	*	*			trans	-89.2	70.5	165.6	63.4	0	0	0	0	107.8	T167	T167-S169 PolarHBondContact O-N 3.14Å
170	S	41.8	Very low	43.9	Very low	80 Å²	80	145.5 Å²	145.5	56%	0.559	76%	0.762	S	S	*	*			trans	-122.1	79	163.8	64.5	0	0	0	0	107.8	K168 L172	K168-S170 PolarHBondContact O-N 3.12Å; S170-L172 PolarHBondContact O-N 2.81Å
171	N	41.2	Very low	42.3	Very low	170 Å²	170	143.2 Å²	143.2	91%	0.909	76%	0.758	S	S	*	*			trans	-68.7	58.2	146.5	-76.1	-19.9	0	0	0	107.8	Q173	N171-Q173 VanDerWaalsContact C-N 3.25Å; N171-Q173 PolarHBondContact O-N 3.06Å
172	L	40.1	Very low	41	Very low	116 Å²	116	143.6 Å²	143.6	61%	0.607	76%	0.762	S	S	*	*			trans	-87.3	83.6	163.5	-96.8	136.5	0	0	0	104.6	S170 F174	S170-L172 PolarHBondContact O-N 2.81Å; L172-F174 HydrophobicContact CB-CD2 4.11Å; L172-F174 HydrophobicContact CB-CE2 3.87Å; L172-F174 HydrophobicContact CD2-CE2 3.98Å; L172-F174 HydrophobicContact CD2-CZ 4.03Å; L172-F174 HydrophobicContact CG-CE2 4.45Å; L172-F174 PolarHBondContact O-N 2.86Å
173	Q	33.1	Very low	39.5	Very low	173 Å²	173	145.1 Å²	145.1	81%	0.808	76%	0.762	S	S	*	*			trans	-62.2	94.7	158.2	-80.6	-177.2	-15.8	0	0	106.2	N171 T175	N171-Q173 VanDerWaalsContact C-N 3.25Å; N171-Q173 PolarHBondContact O-N 3.06Å; Q173-T175 PolarHBondContact O-N 2.8Å
174	F	33.1	Very low	38.2	Very low	167 Å²	167	142.9 Å²	142.9	73%	0.732	76%	0.764	S	S	*	*			trans	-70.4	91.8	161	-78.1	-87.4	0	0	0	106.3	L172 D176	L172-F174 HydrophobicContact CB-CD2 4.11Å; L172-F174 HydrophobicContact CB-CE2 3.87Å; L172-F174 HydrophobicContact CD2-CE2 3.98Å; L172-F174 HydrophobicContact CD2-CZ 4.03Å; L172-F174 HydrophobicContact CG-CE2 4.45Å; L172-F174 PolarHBondContact O-N 2.86Å; F174-D176 PolarHBondContact O-N 3.12Å
175	T	36.5	Very low	37.5	Very low	104 Å²	104	142.1 Å²	142.1	64%	0.638	76%	0.761	S	S	*	*			trans	-77.2	111.3	161.3	52.9	0	0	0	0	106.7	Q173 N177	Q173-T175 PolarHBondContact O-N 2.8Å; T175-N177 PolarHBondContact O-N 3.49Å
176	D	33.2	Very low	36.3	Very low	157 Å²	157	146.2 Å²	146.2	84%	0.84	77%	0.766	S	S	*	*			trans	-62.1	66	173.2	-80.2	-39.5	0	0	0	111.6	F174	F174-D176 PolarHBondContact O-N 3.12Å
177	N	34.4	Very low	35.6	Very low	134 Å²	134	147.9 Å²	147.9	72%	0.717	77%	0.77	S	S	*	*			trans	-111.6	94.8	173.5	-77	-10.6	0	0	0	109	T175 Y179	T175-N177 PolarHBondContact O-N 3.49Å; N177-Y179 PolarHBondContact O-N 2.92Å
178	K	33.5	Very low	35	Very low	196 Å²	196	151.2 Å²	151.2	85%	0.852	78%	0.777	S	S	*	*			trans	-49.5	71.6	163.7	-83.4	175.2	158	175.5	0	112.1
179	Y	37.2	Very low	34.3	Very low	218 Å²	218	149.5 Å²	149.5	86%	0.855	77%	0.774	S	S	*	*			trans	-150.6	122.4	156.4	-76	-67.8	0	0	0	109.8	N177 S181	N177-Y179 PolarHBondContact O-N 2.92Å; Y179-S181 PolarHBondContact O-N 3.09Å
180	N	34.7	Very low	33.7	Very low	169 Å²	169	149.3 Å²	149.3	90%	0.904	77%	0.773	S	S	*	*			trans	-52.8	103.9	178.5	-58.3	-42.5	0	0	0	110.8
181	S	27.5	Very low	33.2	Very low	98 Å²	98	154 Å²	154	69%	0.685	79%	0.785	S	S	*	*			trans	-136	121.1	158.2	-96.3	0	0	0	0	109.2	Y179 I183	Y179-S181 PolarHBondContact O-N 3.09Å; S181-I183 PolarHBondContact O-N 2.99Å
182	P	33	Very low	32.6	Very low	125 Å²	125	154 Å²	154	81%	0.812	78%	0.779	S	S	*	*			trans	-62.3	113.1	172.7	25.9	-30.7	0	0	0	107.5	S184	P182-S184 VanDerWaalsContact C-N 3.33Å; P182-S184 PolarHBondContact O-N 3.18Å
183	I	32.8	Very low	32.1	Very low	156 Å²	156	153.1 Å²	153.1	80%	0.8	79%	0.789	S	S	*	*			trans	-66	95.9	178.5	-63.2	169.3	0	0	0	107.4	S181 F185	S181-I183 PolarHBondContact O-N 2.99Å; I183-F185 PolarHBondContact O-N 3.1Å
184	S	30.5	Very low	32.1	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	78%	0.783	S	S	*	*			trans	-78.7	106.9	165.9	64.1	0	0	0	0	107.9	P182 K186	P182-S184 VanDerWaalsContact C-N 3.33Å; P182-S184 PolarHBondContact O-N 3.18Å; S184-K186 PolarHBondContact O-N 2.77Å
185	F	34.2	Very low	31.9	Very low	176 Å²	176	149.9 Å²	149.9	77%	0.772	79%	0.787	S	S	*	*			trans	-79	112.7	169.6	52.8	-85.7	0	0	0	108.6	I183	I183-F185 PolarHBondContact O-N 3.1Å
186	K	27.6	Very low	31.6	Very low	201 Å²	201	153 Å²	153	87%	0.874	79%	0.793	S	S	*	*			trans	-84.1	114.2	163.5	-110	-179.9	177	178	0	107.2	S184 Q188	S184-K186 PolarHBondContact O-N 2.77Å; K186-Q188 PolarHBondContact O-N 2.95Å
187	L	32.8	Very low	31.4	Very low	143 Å²	143	153 Å²	153	75%	0.749	80%	0.799	S	S	*	*			trans	-65.9	102.8	166.3	-69.5	170.3	0	0	0	107.5	M189	L187-M189 PolarHBondContact O-N 3.01Å
188	Q	30.8	Very low	31.5	Very low	189 Å²	189	151.6 Å²	151.6	88%	0.883	80%	0.8	S	S	*	*			trans	-68.8	98	166.4	-101.5	-178.1	-32.5	0	0	107.6	K186 S190	K186-Q188 PolarHBondContact O-N 2.95Å; Q188-S190 PolarHBondContact O-N 2.78Å
189	M	28.7	Very low	31.5	Very low	154 Å²	154	147.3 Å²	147.3	76%	0.759	80%	0.795	S	S	*	*			trans	-62.2	102.6	161.4	-111.8	84.3	121.4	0	0	107.2	L187 H191	L187-M189 PolarHBondContact O-N 3.01Å; M189-H191 PolarHBondContact O-N 2.9Å; M189-H191 VanDerWaalsContact O-N 3.13Å
190	S	31.6	Very low	31.4	Very low	101 Å²	101	144.5 Å²	144.5	71%	0.706	79%	0.794	S	S	*	*			trans	-68.3	108.7	165.1	45.3	0	0	0	0	108	Q188 H192	Q188-S190 PolarHBondContact O-N 2.78Å; S190-H192 PolarHBondContact O-N 2.86Å
191	H	30.4	Very low	31.3	Very low	178 Å²	178	141.9 Å²	141.9	82%	0.824	78%	0.783	S	S	*	*			trans	-69.2	74.8	169.8	-73.3	-90.8	0	0	0	109.7	M189	M189-H191 PolarHBondContact O-N 2.9Å; M189-H191 VanDerWaalsContact O-N 3.13Å
192	H	29.6	Very low	31.7	Very low	169 Å²	169	141.7 Å²	141.7	78%	0.782	78%	0.782	S	S	*	*			trans	-104.2	92	159.3	-82.7	-64.5	0	0	0	108.7	S190 S194	S190-H192 PolarHBondContact O-N 2.86Å; H192-S194 PolarHBondContact O-N 2.95Å
193	A	29.7	Very low	31.8	Very low	98 Å²	98	141 Å²	141	81%	0.81	78%	0.776	S	S	*	*			trans	-53	104.1	167	0	0	0	0	0	109.7
194	S	32.5	Very low	31.8	Very low	98 Å²	98	139.9 Å²	139.9	69%	0.685	78%	0.776	S	S	*	*			trans	-139.2	120.7	156.3	56.6	0	0	0	0	107.8	H192 H196	H192-S194 PolarHBondContact O-N 2.95Å; S194-H196 PolarHBondContact O-N 2.99Å; S194-H196 VanDerWaalsContact O-N 3.1Å
195	H	28	Very low	32.1	Very low	175 Å²	175	142.6 Å²	142.6	81%	0.81	78%	0.777	S	S	*	*			trans	-73.8	94.1	-170.1	-67.1	-92.5	0	0	0	110.9
196	H	30.9	Very low	32.3	Very low	169 Å²	169	139 Å²	139	78%	0.782	77%	0.771	S	S	*	*			trans	-134.2	97.5	158.2	-68.5	-66.2	0	0	0	109.5	S194 S198	S194-H196 PolarHBondContact O-N 2.99Å; S194-H196 VanDerWaalsContact O-N 3.1Å; H196-S198 VanDerWaalsContact C-N 3.34Å; H196-S198 PolarHBondContact O-N 3.28Å
197	T	29.3	Very low	32.7	Very low	157 Å²	157	135.5 Å²	135.5	96%	0.963	77%	0.766	S	S	*	*			trans	-64.7	89.5	166.8	42.7	0	0	0	0	109.4
198	S	37.2	Very low	32.9	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	77%	0.765	S	S	*	*			trans	-124.9	112.9	161.2	60.3	0	0	0	0	108.6	H196	H196-S198 VanDerWaalsContact C-N 3.34Å; H196-S198 PolarHBondContact O-N 3.28Å
199	S	31.8	Very low	33.2	Very low	106 Å²	106	129.6 Å²	129.6	74%	0.741	75%	0.75	S	S	*	*			trans	-33.8	128.3	-179.7	-178.9	0	0	0	0	114.9	V201	S199-V201 PolarHBondContact O-N 2.8Å
200	L	36.5	Very low	33.5	Very low	159 Å²	159	126.6 Å²	126.6	83%	0.832	74%	0.744	S	S	*	*			trans	-67.7	94.7	171.6	-131	96.4	0	0	0	109	S202	L200-S202 VanDerWaalsContact C-N 3.33Å; L200-S202 PolarHBondContact O-N 2.84Å
201	V	32.3	Very low	33.5	Very low	114 Å²	114	130 Å²	130	69%	0.691	75%	0.746	S	S	*	*			trans	-75.4	95.4	164.5	180	0	0	0	0	106.5	S199 T203	S199-V201 PolarHBondContact O-N 2.8Å; V201-T203 PolarHBondContact O-N 2.88Å; V201-T203 PolarHBondContact O-OG1 3.33Å
202	S	35.6	Very low	33.7	Very low	94 Å²	94	131.8 Å²	131.8	66%	0.657	75%	0.746	S	S	*	*			trans	-59.1	87.9	169.2	-66.6	0	0	0	0	108.8	L200 T204	L200-S202 VanDerWaalsContact C-N 3.33Å; L200-S202 PolarHBondContact O-N 2.84Å; S202-T204 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 2.82Å
203	T	34.7	Very low	33.8	Very low	111 Å²	111	129.7 Å²	129.7	68%	0.681	75%	0.745	S	S	*	*			trans	-77.6	90.4	176.7	-44.2	0	0	0	0	106.3	V201 Q205	V201-T203 PolarHBondContact O-N 2.88Å; V201-T203 PolarHBondContact O-OG1 3.33Å; T203-Q205 VanDerWaalsContact C-N 3.29Å; T203-Q205 PolarHBondContact O-N 3.36Å
204	T	33.2	Very low	34	Very low	132 Å²	132	129.7 Å²	129.7	81%	0.81	74%	0.737	S	S	*	*			trans	-66.5	94.7	167.4	8	0	0	0	0	106	S202 P206	S202-T204 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 2.82Å; T204-P206 VanDerWaalsContact O-CD 3.24Å; T204-P206 WeakPolarHBondContact O-CD 3.4Å; T204-P206 VanDerWaalsContact O-N 3.16Å
205	Q	35.9	Very low	33.7	Very low	166 Å²	166	136 Å²	136	78%	0.776	75%	0.746	S	S	*	*			trans	-60.1	120.5	173	-80.2	-167.6	-8.1	0	0	107.9	T203 V207	T203-Q205 VanDerWaalsContact C-N 3.29Å; T203-Q205 PolarHBondContact O-N 3.36Å; Q205-V207 PolarHBondContact O-N 3.38Å
206	P	38.7	Very low	33.9	Very low	101 Å²	101	133.9 Å²	133.9	66%	0.656	75%	0.746	S	S	*	*			trans	-63	113.4	171.5	24.5	-30.2	0	0	0	107.1	T204 T208	T204-P206 VanDerWaalsContact O-CD 3.24Å; T204-P206 WeakPolarHBondContact O-CD 3.4Å; T204-P206 VanDerWaalsContact O-N 3.16Å; P206-T208 HydrophobicContact CB-CG2 4.5Å; P206-T208 PolarHBondContact O-N 2.98Å
207	V	37.5	Very low	33.8	Very low	127 Å²	127	136.7 Å²	136.7	77%	0.77	75%	0.75	S	S	*	*			trans	-67.1	84.6	168.5	-178	0	0	0	0	106.1	Q205 T209	Q205-V207 PolarHBondContact O-N 3.38Å; V207-T209 VanDerWaalsContact C-N 3.28Å; V207-T209 HydrophobicContact CG1-CG2 4.07Å; V207-T209 PolarHBondContact O-N 2.81Å
208	T	36.5	Very low	34.2	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.724	74%	0.738	S	S	*	*			trans	-70	92	171.6	53.1	0	0	0	0	107	P206 S210	P206-T208 HydrophobicContact CB-CG2 4.5Å; P206-T208 PolarHBondContact O-N 2.98Å; T208-S210 PolarHBondContact O-N 3.47Å
209	T	35.6	Very low	34.1	Very low	90 Å²	90	140 Å²	140	55%	0.552	74%	0.744	S	S	*	*			trans	-68.4	79.9	166.4	47.3	0	0	0	0	107.7	V207 F211	V207-T209 VanDerWaalsContact C-N 3.28Å; V207-T209 HydrophobicContact CG1-CG2 4.07Å; V207-T209 PolarHBondContact O-N 2.81Å; T209-F211 VanDerWaalsContact C-N 3.25Å; T209-F211 VanDerWaalsContact O-CD2 3.23Å; T209-F211 WeakPolarHBondContact O-CD2 3.28Å; T209-F211 PolarHBondContact O-N 2.99Å
210	S	35	Very low	34.2	Very low	92 Å²	92	142 Å²	142	64%	0.643	75%	0.747	S	S	*	*			trans	-67.8	94.1	167.1	71.2	0	0	0	0	106.5	T208 R212	T208-S210 PolarHBondContact O-N 3.47Å; S210-R212 PolarHBondContact O-N 3.24Å
211	F	33.2	Very low	34.2	Very low	172 Å²	172	139.2 Å²	139.2	75%	0.754	74%	0.74	S	S	*	*			trans	-61.1	93.5	168	-62	-85.4	0	0	0	107	T209 V213	T209-F211 VanDerWaalsContact C-N 3.25Å; T209-F211 VanDerWaalsContact O-CD2 3.23Å; T209-F211 WeakPolarHBondContact O-CD2 3.28Å; T209-F211 PolarHBondContact O-N 2.99Å; F211-V213 VanDerWaalsContact C-N 3.25Å; F211-V213 PolarHBondContact O-N 2.83Å
212	R	33	Very low	34.4	Very low	216 Å²	216	138.6 Å²	138.6	82%	0.815	74%	0.741	S	S	*	*			trans	-67.2	98.7	162	-73.8	-167.5	-171.4	-154.3	3.6	104.9	S210 C214	S210-R212 PolarHBondContact O-N 3.24Å; R212-C214 PolarHBondContact O-N 3.01Å
213	V	32.8	Very low	34.1	Very low	125 Å²	125	141.6 Å²	141.6	76%	0.758	75%	0.75	S	S	*	*			trans	-65.5	85.3	165.4	-176.8	0	0	0	0	105.8	F211 R215	F211-V213 VanDerWaalsContact C-N 3.25Å; F211-V213 PolarHBondContact O-N 2.83Å; V213-R215 PolarHBondContact O-N 2.94Å
214	C	33.3	Very low	33.7	Very low	97 Å²	97	141.2 Å²	141.2	66%	0.655	75%	0.75	S	S	*	*			trans	-65	93.3	169.6	-69.4	0	0	0	0	106	R212 T216	R212-C214 PolarHBondContact O-N 3.01Å; C214-T216 PolarHBondContact O-N 2.8Å
215	R	27.2	Very low	33.3	Very low	231 Å²	231	141.6 Å²	141.6	87%	0.872	75%	0.753	S	S	*	*			trans	-62.1	94.4	164.8	-92.1	-179.4	164.2	145.5	-4.7	106.9	V213 R217	V213-R215 PolarHBondContact O-N 2.94Å; R215-R217 VanDerWaalsContact C-N 3.34Å; R215-R217 PolarHBondContact O-N 2.82Å
216	T	32.1	Very low	33.1	Very low	130 Å²	130	139.7 Å²	139.7	80%	0.798	75%	0.752	S	S	*	*			trans	-63.9	97.5	168.9	46.4	0	0	0	0	107.2	C214 S218	C214-T216 PolarHBondContact O-N 2.8Å; T216-S218 PolarHBondContact O-N 2.88Å; T216-S218 VanDerWaalsContact O-N 3.12Å
217	R	29.2	Very low	32.6	Very low	229 Å²	229	140 Å²	140	86%	0.864	76%	0.757	S	S	*	*			trans	-70.7	102.6	159.6	-78.5	-174.9	167.4	-142	-1.8	105.8	R215 R219	R215-R217 VanDerWaalsContact C-N 3.34Å; R215-R217 PolarHBondContact O-N 2.82Å; R217-R219 VanDerWaalsContact C-N 3.29Å; R217-R219 PolarHBondContact O-N 2.95Å
218	S	36.2	Very low	32.1	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	76%	0.759	S	S	*	*			trans	-56.9	100.4	163.6	178.6	0	0	0	0	106.8	T216 N220	T216-S218 PolarHBondContact O-N 2.88Å; T216-S218 VanDerWaalsContact O-N 3.12Å; S218-N220 PolarHBondContact O-N 3.13Å
219	R	35.5	Very low	31.8	Very low	227 Å²	227	137.2 Å²	137.2	86%	0.857	76%	0.759	S	S	*	*			trans	-77.4	109.8	161	-75.5	-177.5	175.1	-178.7	-1.8	103.6	R217 S221	R217-R219 VanDerWaalsContact C-N 3.29Å; R217-R219 PolarHBondContact O-N 2.95Å; R219-S221 PolarHBondContact O-N 3.05Å
220	N	33.6	Very low	31.3	Very low	148 Å²	148	143.8 Å²	143.8	79%	0.791	77%	0.773	S	S	*	*			trans	-52.6	97.7	157.3	-78.8	-16.7	0	0	0	106.1	S218 S222	S218-N220 PolarHBondContact O-N 3.13Å; N220-S222 PolarHBondContact O-N 3.02Å
221	S	36.4	Very low	31	Very low	99 Å²	99	145.8 Å²	145.8	69%	0.692	78%	0.782	S	S	*	*			trans	-77	84.1	171.2	59	0	0	0	0	105.9	R219 N223	R219-S221 PolarHBondContact O-N 3.05Å; S221-N223 PolarHBondContact O-N 3.04Å
222	S	36.3	Very low	30.9	Very low	102 Å²	102	142 Å²	142	71%	0.713	78%	0.776	S	S	*	*			trans	-66.6	115.5	156.5	47.1	0	0	0	0	106.3	N220 C224	N220-S222 PolarHBondContact O-N 3.02Å; S222-C224 VanDerWaalsContact C-N 3.31Å; S222-C224 PolarHBondContact O-N 3.38Å
223	N	29.2	Very low	30.9	Very low	156 Å²	156	140.6 Å²	140.6	83%	0.834	78%	0.776	S	S	*	*			trans	-54.9	96.8	167.7	-68.2	-39.4	0	0	0	107.9	S221	S221-N223 PolarHBondContact O-N 3.04Å
224	C	27.4	Very low	30.7	Very low	103 Å²	103	146.2 Å²	146.2	70%	0.696	79%	0.786	S	S	*	*			trans	-118.3	89.4	169.1	-155.1	0	0	0	0	107.7	S222 V226	S222-C224 VanDerWaalsContact C-N 3.31Å; S222-C224 PolarHBondContact O-N 3.38Å; C224-V226 PolarHBondContact O-N 3.41Å; C224-V226 VanDerWaalsContact O-N 3.1Å
225	T	24.3	Very low	30.7	Very low	141 Å²	141	149.6 Å²	149.6	87%	0.865	80%	0.796	S	S	*	*			trans	-63.5	99.2	168	-21.3	0	0	0	0	107.2
226	V	31.6	Very low	31.2	Very low	125 Å²	125	147.3 Å²	147.3	76%	0.758	80%	0.795	S	S	*	*			trans	-105.1	115.4	167.9	-170.9	0	0	0	0	108.1	C224	C224-V226 PolarHBondContact O-N 3.41Å; C224-V226 VanDerWaalsContact O-N 3.1Å
227	S	28.6	Very low	31.4	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	79%	0.792	S	S	*	*			trans	-51.4	147.5	-178.4	-174.4	0	0	0	0	113.4	G229	S227-G229 PolarHBondContact O-N 2.85Å; S227-G229 VanDerWaalsContact O-N 3.15Å
228	S	27.2	Very low	31.5	Very low	117 Å²	117	142.8 Å²	142.8	82%	0.818	79%	0.79	S	S	*	*			trans	-46.2	107	170.9	166	0	0	0	0	112.8
229	G	29.1	Very low	31.4	Very low	69 Å²	69	145.2 Å²	145.2	71%	0.711	79%	0.789	S	S	*	*			trans	-122.8	104.1	165.6	0	0	0	0	0	109.8	S227	S227-G229 PolarHBondContact O-N 2.85Å; S227-G229 VanDerWaalsContact O-N 3.15Å
230	R	26.6	Very low	31.4	Very low	229 Å²	229	141.5 Å²	141.5	86%	0.864	79%	0.785	S	S	*	*			trans	-55.4	161.9	163.5	-87.6	173.3	155.9	176.2	-6	110.3
231	T	29.1	Very low	31.3	Very low	134 Å²	134	144.3 Å²	144.3	82%	0.822	78%	0.784	S	S	*	*			trans	80.2	146.9	172.3	76.1	0	0	0	0	114.1
232	S	30.7	Very low	31.1	Very low	91 Å²	91	144.3 Å²	144.3	64%	0.636	78%	0.784	S	S	*	*			cis	-170.5	152.3	-21.3	60	0	0	0	0	104.2
233	K	32.1	Very low	31	Very low	188 Å²	188	147.9 Å²	147.9	82%	0.817	79%	0.787	S	S	*	*			trans	65.7	97.6	164.1	-57	177.6	-176.9	179.2	0	115.7	L235	K233-L235 PolarHBondContact O-N 2.93Å
234	Y	28	Very low	31.3	Very low	242 Å²	242	145.5 Å²	145.5	95%	0.949	78%	0.783	S	S	*	*			trans	7.9	90.9	143.8	-75.7	-95.3	0	0	0	114.4	H236	Y234-H236 PolarHBondContact O-N 2.97Å
235	L	35.2	Very low	31.7	Very low	169 Å²	169	149 Å²	149	89%	0.885	79%	0.788	S	S	*	*			trans	-70	129.1	160.4	-73.5	171.1	0	0	0	107	K233	K233-L235 PolarHBondContact O-N 2.93Å
236	H	36	Very low	32.1	Very low	183 Å²	183	145.2 Å²	145.2	85%	0.847	78%	0.778	S	S	*	*			trans	-39.2	141	173.8	-114.4	-23.4	0	0	0	110.4	Y234 E238	Y234-H236 PolarHBondContact O-N 2.97Å; H236-E238 PolarHBondContact O-N 3.37Å
237	A	36.6	Very low	32.3	Very low	87 Å²	87	148.5 Å²	148.5	72%	0.719	78%	0.782	S	S	*	*			trans	-50.9	87.3	171.9	0	0	0	0	0	110.2	H239	A237-H239 PolarHBondContact O-CD2 3.34Å; A237-H239 PolarHBondContact O-N 3.17Å
238	E	32.5	Very low	32.8	Very low	177 Å²	177	150.1 Å²	150.1	83%	0.827	78%	0.782	S	S	*	*			trans	-65.3	107.2	166.2	-89.7	-171.1	152.1	0	0	105.3	H236 I240	H236-E238 PolarHBondContact O-N 3.37Å; E238-I240 PolarHBondContact O-N 2.91Å
239	H	32.5	Very low	33.4	Very low	155 Å²	155	151.2 Å²	151.2	72%	0.718	78%	0.784	S	S	*	*			trans	-55.5	93.1	165.9	-73.8	-159.7	0	0	0	107.3	A237 R241	A237-H239 PolarHBondContact O-CD2 3.34Å; A237-H239 PolarHBondContact O-N 3.17Å; H239-R241 PolarHBondContact O-N 2.95Å
240	I	35.7	Very low	33.7	Very low	149 Å²	149	154.3 Å²	154.3	76%	0.764	79%	0.785	S	S	*	*			trans	-69	81.4	166.4	-55.1	177.4	0	0	0	106	E238 S242	E238-I240 PolarHBondContact O-N 2.91Å; I240-S242 PolarHBondContact O-N 2.78Å
241	R	31.5	Very low	34.2	Very low	207 Å²	207	148.1 Å²	148.1	78%	0.781	77%	0.774	S	S	*	*			trans	-68.3	86.6	162.1	-77	177	166	162.8	-3.4	105.7	H239 K243	H239-R241 PolarHBondContact O-N 2.95Å; R241-K243 PolarHBondContact O-N 2.83Å
242	S	33.5	Very low	34.5	Very low	99 Å²	99	148.9 Å²	148.9	69%	0.692	77%	0.772	S	S	*	*			trans	-67.3	82.6	164.9	-63.4	0	0	0	0	108.5	I240 S244	I240-S242 PolarHBondContact O-N 2.78Å; S242-S244 PolarHBondContact O-N 2.8Å
243	K	33.8	Very low	34.7	Very low	177 Å²	177	155.3 Å²	155.3	77%	0.77	78%	0.782	S	S	*	*			trans	-71.1	83.8	157.2	-75.9	-170.8	173.5	-171.6	0	106.8	R241 E245	R241-K243 PolarHBondContact O-N 2.83Å; K243-E245 VanDerWaalsContact C-N 3.34Å; K243-E245 PolarHBondContact O-N 2.98Å
244	S	36.4	Very low	34.9	Very low	106 Å²	106	153.1 Å²	153.1	74%	0.741	78%	0.779	S	S	*	*			trans	-76.9	98.1	159.1	55.2	0	0	0	0	106.4	S242 G246	S242-S244 PolarHBondContact O-N 2.8Å; S244-G246 PolarHBondContact O-N 3.31Å
245	E	35.1	Very low	35.3	Very low	175 Å²	175	146.1 Å²	146.1	82%	0.818	77%	0.765	S	S	*	*			trans	-64.1	71.2	156.4	-69.4	-178.9	172.5	0	0	107.6	K243 K247	K243-E245 VanDerWaalsContact C-N 3.34Å; K243-E245 PolarHBondContact O-N 2.98Å; E245-K247 PolarHBondContact O-N 2.81Å
246	G	32.9	Very low	35	Very low	63 Å²	63	145.3 Å²	145.3	65%	0.649	76%	0.757	S	S	*	*			trans	-75	79.9	170	0	0	0	0	0	107.7	S244 D248	S244-G246 PolarHBondContact O-N 3.31Å; G246-D248 PolarHBondContact O-N 2.87Å
247	K	34.4	Very low	35	Very low	194 Å²	194	144.3 Å²	144.3	84%	0.843	76%	0.757	S	S	*	*			trans	-63.2	89.2	151	-77.7	-156.5	177.7	-172.3	0	106.2	E245	E245-K247 PolarHBondContact O-N 2.81Å
248	D	40.5	Very low	34.8	Very low	141 Å²	141	146.9 Å²	146.9	75%	0.754	76%	0.759	S	S	*	*			trans	-178.3	82.4	153.3	-85.2	-25	0	0	0	105	G246 D250	G246-D248 PolarHBondContact O-N 2.87Å; D248-D250 PolarHBondContact O-N 2.94Å
249	T	38.5	Very low	34.7	Very low	140 Å²	140	140.9 Å²	140.9	86%	0.859	74%	0.744	S	S	*	*			trans	-60.3	80.3	150.6	31.1	0	0	0	0	106.3	P251	T249-P251 WeakPolarHBondContact O-CD 3.24Å; T249-P251 VanDerWaalsContact O-N 3.07Å
250	D	36.9	Very low	34.5	Very low	135 Å²	135	144.5 Å²	144.5	72%	0.722	75%	0.752	S	S	*	*			trans	-60.5	109.7	160	-102	-28.3	0	0	0	105	D248 I252	D248-D250 PolarHBondContact O-N 2.94Å; D250-I252 PolarHBondContact O-N 2.76Å
251	P	37	Very low	34.3	Very low	99 Å²	99	146.3 Å²	146.3	64%	0.643	76%	0.757	S	S	*	*			trans	-59.8	117	174.5	25.1	-29.6	0	0	0	105.4	T249 R253	T249-P251 WeakPolarHBondContact O-CD 3.24Å; T249-P251 VanDerWaalsContact O-N 3.07Å; P251-R253 PolarHBondContact O-N 3.05Å
252	I	35.8	Very low	34.1	Very low	150 Å²	150	145.4 Å²	145.4	77%	0.769	76%	0.759	S	S	*	*			trans	-57.2	94.7	167.6	-61.6	173.4	0	0	0	104.7	D250 N254	D250-I252 PolarHBondContact O-N 2.76Å; I252-N254 PolarHBondContact O-N 2.82Å
253	R	33.2	Very low	33.8	Very low	225 Å²	225	146.1 Å²	146.1	85%	0.849	76%	0.763	S	S	*	*			trans	-65.6	92.6	167.8	-81.1	-172.3	172.1	-156.2	-0.5	103.9	P251 S255	P251-R253 PolarHBondContact O-N 3.05Å; R253-S255 PolarHBondContact O-N 3Å
254	N	36.1	Very low	33.4	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	76%	0.757	S	S	*	*			trans	-57.9	93.4	152.7	-67.4	-31	0	0	0	103.7	I252 H256	I252-N254 PolarHBondContact O-N 2.82Å; N254-H256 PolarHBondContact O-N 3.24Å
255	S	36.4	Very low	32.9	Very low	95 Å²	95	144.9 Å²	144.9	66%	0.664	76%	0.762	S	S	*	*			trans	-58.6	95.6	165.2	44.9	0	0	0	0	104.4	R253 L257	R253-S255 PolarHBondContact O-N 3Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 2.83Å
256	H	30.6	Very low	32.5	Very low	152 Å²	152	141.7 Å²	141.7	70%	0.704	76%	0.758	S	S	*	*			trans	-48.4	106.7	163	-153.7	-88	0	0	0	103.4	N254 D258	N254-H256 PolarHBondContact O-N 3.24Å; H256-D258 IonicContact CE1-OD1 3.42Å; H256-D258 PolarHBondContact CE1-OD1 3.01Å; H256-D258 IonicContact CG-OD1 3.97Å; H256-D258 IonicContact ND1-OD1 2.8Å; H256-D258 PolarHBondContact ND1-OD1 3.32Å; H256-D258 IonicContact ND1-OD2 3.88Å; H256-D258 PolarHBondContact O-N 2.77Å
257	L	36.1	Very low	32.4	Very low	162 Å²	162	145.3 Å²	145.3	85%	0.848	76%	0.761	S	S	*	*			trans	-68.7	77	171	-74.9	168	0	0	0	105.4	S255 G259	S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 2.83Å; L257-G259 PolarHBondContact O-N 2.77Å
258	D	32.3	Very low	31.9	Very low	142 Å²	142	143.7 Å²	143.7	76%	0.759	76%	0.762	S	S	*	*			trans	-69.4	76.7	158.5	-79.4	-21.8	0	0	0	106.2	H256	H256-D258 IonicContact CE1-OD1 3.42Å; H256-D258 PolarHBondContact CE1-OD1 3.01Å; H256-D258 IonicContact CG-OD1 3.97Å; H256-D258 IonicContact ND1-OD1 2.8Å; H256-D258 PolarHBondContact ND1-OD1 3.32Å; H256-D258 IonicContact ND1-OD2 3.88Å; H256-D258 PolarHBondContact O-N 2.77Å
259	G	30.3	Very low	31.2	Very low	51 Å²	51	142 Å²	142	53%	0.526	76%	0.761	S	S	.	*			trans	-156.9	91.3	-174	0	0	0	0	0	108.7	L257 E261	L257-G259 PolarHBondContact O-N 2.77Å; G259-E261 PolarHBondContact O-N 2.69Å
260	R	28.1	Very low	30.6	Very low	230 Å²	230	140 Å²	140	87%	0.868	76%	0.759	S	S	*	*			trans	-61.7	74.9	167.7	-68	177.4	173	-169.5	-1.6	109.7	K262	R260-K262 PolarHBondContact O-N 2.72Å
261	E	30.7	Very low	30.1	Very low	187 Å²	187	144.1 Å²	144.1	87%	0.874	77%	0.766	S	S	*	*			trans	-77.3	80.9	158.6	-75.4	-170.9	176.7	0	0	107.8	G259 C263	G259-E261 PolarHBondContact O-N 2.69Å; E261-C263 VanDerWaalsContact C-N 3.32Å; E261-C263 PolarHBondContact O-N 3.08Å; E261-C263 VanDerWaalsContact O-N 3.14Å
262	K	28.1	Very low	29.5	Very low	188 Å²	188	150.4 Å²	150.4	82%	0.817	78%	0.777	S	S	*	*			trans	-66.8	96.9	154.7	-71	179.8	174.9	-174.8	0	106.2	R260	R260-K262 PolarHBondContact O-N 2.72Å
263	C	26	Very low	29	Very low	115 Å²	115	149 Å²	149	78%	0.777	78%	0.781	S	S	*	*			trans	-121.3	121.4	160.4	-160.6	0	0	0	0	109.8	E261	E261-C263 VanDerWaalsContact C-N 3.32Å; E261-C263 PolarHBondContact O-N 3.08Å; E261-C263 VanDerWaalsContact O-N 3.14Å
264	S	25.7	Very low	28.7	Very low	94 Å²	94	143.4 Å²	143.4	66%	0.657	78%	0.776	S	S	*	*			trans	-55.8	117.1	-177.8	45.7	0	0	0	0	114.1
265	L	26.4	Very low	28.4	Very low	162 Å²	162	145.3 Å²	145.3	85%	0.848	78%	0.78	S	S	*	*			trans	-119.5	84.2	142.1	-99.6	147.7	0	0	0	106.4	I267	L265-I267 PolarHBondContact O-N 3.33Å
266	C	27.1	Very low	28	Very low	109 Å²	109	145.7 Å²	145.7	74%	0.736	78%	0.779	S	S	*	*			trans	-69.4	103.4	163.6	-57.5	0	0	0	0	106.8
267	I	29.7	Very low	27.7	Very low	138 Å²	138	144 Å²	144	71%	0.708	78%	0.784	S	S	*	*			trans	-109.6	93.7	153.6	-61.1	179.4	0	0	0	105.3	L265 S269	L265-I267 PolarHBondContact O-N 3.33Å; I267-S269 PolarHBondContact O-N 3.46Å
268	D	24.8	Very low	27.4	Very low	160 Å²	160	143.5 Å²	143.5	86%	0.856	78%	0.777	S	S	*	*			trans	-57.9	110.4	159	-83.4	-44.5	0	0	0	108.3
269	S	26.1	Very low	27	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	79%	0.785	S	S	*	*			trans	-137.5	103.1	150.4	60.4	0	0	0	0	108	I267 Y271	I267-S269 PolarHBondContact O-N 3.46Å; S269-Y271 PolarHBondContact O-N 2.85Å
270	A	24.6	Very low	27	Very low	100 Å²	100	152.2 Å²	152.2	83%	0.826	80%	0.8	S	S	*	*			trans	-61.2	120.1	169.8	0	0	0	0	0	109.5
271	Y	27.2	Very low	27	Very low	221 Å²	221	146 Å²	146	87%	0.867	79%	0.792	S	S	*	*			trans	-139.1	92.5	154.3	-147.7	-96.6	0	0	0	110.9	S269	S269-Y271 PolarHBondContact O-N 2.85Å
272	R	24.9	Very low	26.9	Very low	230 Å²	230	142.7 Å²	142.7	87%	0.868	79%	0.79	S	S	*	*			trans	24.1	98.7	151.7	-62.7	-144.2	175.2	-155.4	0.6	117.4	S274	R272-S274 PolarHBondContact O-N 3.19Å
273	S	25	Very low	26.8	Very low	122 Å²	122	143.8 Å²	143.8	85%	0.853	79%	0.79	S	S	*	*			trans	-58.1	117.3	147.7	-58	0	0	0	0	109.2
274	S	27.6	Very low	26.9	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	79%	0.79	S	S	*	*			trans	-75.4	117.7	157.6	-173.1	0	0	0	0	106.9	R272 V276	R272-S274 PolarHBondContact O-N 3.19Å; S274-V276 PolarHBondContact O-N 2.85Å; S274-V276 VanDerWaalsContact O-N 3.15Å
275	E	28.6	Very low	27.1	Very low	182 Å²	182	144.3 Å²	144.3	85%	0.85	80%	0.795	S	S	*	*			trans	-56.8	112	171.1	-67.8	170.1	144.5	0	0	109.2
276	V	27.8	Very low	27.2	Very low	103 Å²	103	141.1 Å²	141.1	62%	0.624	79%	0.787	S	S	*	*			trans	-123.4	103.2	159.9	-174.3	0	0	0	0	107	S274 H278	S274-V276 PolarHBondContact O-N 2.85Å; S274-V276 VanDerWaalsContact O-N 3.15Å; V276-H278 VanDerWaalsContact C-N 3.32Å; V276-H278 WeakPolarHBondContact CG1-NE2 3.23Å; V276-H278 PolarHBondContact O-N 3.07Å
277	S	25.5	Very low	27.3	Very low	116 Å²	116	143.8 Å²	143.8	81%	0.811	79%	0.793	S	S	*	*			trans	-67.7	80.8	-179.3	-49.1	0	0	0	0	111.2	K279	S277-K279 PolarHBondContact O-N 2.73Å
278	H	28	Very low	27	Very low	151 Å²	151	144.7 Å²	144.7	70%	0.699	80%	0.798	S	S	*	*			trans	-88.5	101	164	-74.1	-63.9	0	0	0	109.8	V276 L280	V276-H278 VanDerWaalsContact C-N 3.32Å; V276-H278 WeakPolarHBondContact CG1-NE2 3.23Å; V276-H278 PolarHBondContact O-N 3.07Å; H278-L280 VanDerWaalsContact C-N 3.3Å; H278-L280 PolarHBondContact O-N 2.79Å
279	K	25.8	Very low	27.1	Very low	213 Å²	213	142 Å²	142	93%	0.926	79%	0.792	S	S	*	*			trans	-50.6	92.2	158.7	-82.4	176.8	171.3	176.2	0	108.9	S277 S281	S277-K279 PolarHBondContact O-N 2.73Å; K279-S281 PolarHBondContact O-N 3.19Å
280	L	30	Very low	27	Very low	164 Å²	164	143.1 Å²	143.1	86%	0.859	80%	0.798	S	S	*	*			trans	-89.5	97.4	165.7	-80.6	163.5	0	0	0	107.7	H278 S282	H278-L280 VanDerWaalsContact C-N 3.3Å; H278-L280 PolarHBondContact O-N 2.79Å; L280-S282 PolarHBondContact O-N 2.96Å
281	S	27.3	Very low	27.1	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	80%	0.797	S	S	*	*			trans	-35.1	128.7	167.8	175.6	0	0	0	0	111.9	K279 Y283	K279-S281 PolarHBondContact O-N 3.19Å; S281-Y283 PolarHBondContact O-N 2.88Å
282	S	28.6	Very low	27.1	Very low	119 Å²	119	142.5 Å²	142.5	83%	0.832	80%	0.796	S	S	*	*			trans	-49	88.9	173.2	-50	0	0	0	0	111.9	L280 S284	L280-S282 PolarHBondContact O-N 2.96Å; S282-S284 PolarHBondContact O-N 2.94Å
283	Y	26.1	Very low	27.1	Very low	210 Å²	210	136.8 Å²	136.8	82%	0.824	79%	0.791	S	S	*	*			trans	-83.1	96.3	165.4	-114	-89.3	0	0	0	108	S281 S285	S281-Y283 PolarHBondContact O-N 2.88Å; Y283-S285 VanDerWaalsContact C-N 3.35Å; Y283-S285 PolarHBondContact O-N 2.88Å
284	S	28.2	Very low	27.4	Very low	112 Å²	112	136.4 Å²	136.4	78%	0.783	78%	0.783	S	S	*	*			trans	-53.8	98.3	166.3	-171.2	0	0	0	0	108.4	S282 S286	S282-S284 PolarHBondContact O-N 2.94Å; S284-S286 PolarHBondContact O-N 3.12Å; S284-S286 VanDerWaalsContact O-N 3.09Å
285	S	29.6	Very low	27.4	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	79%	0.79	S	S	*	*			trans	-80	92.3	174.4	-64.9	0	0	0	0	107	Y283 N287	Y283-S285 VanDerWaalsContact C-N 3.35Å; Y283-S285 PolarHBondContact O-N 2.88Å; S285-N287 PolarHBondContact O-N 3.37Å
286	S	28.4	Very low	27.2	Very low	95 Å²	95	135.6 Å²	135.6	66%	0.664	78%	0.784	S	S	*	*			trans	-50.1	126.4	165.3	50.2	0	0	0	0	109.1	S284 I288	S284-S286 PolarHBondContact O-N 3.12Å; S284-S286 VanDerWaalsContact O-N 3.09Å; S286-I288 PolarHBondContact O-N 3.34Å
287	N	28.7	Very low	27.4	Very low	165 Å²	165	136.8 Å²	136.8	88%	0.882	79%	0.791	S	S	*	*			trans	-51.2	97.8	174.2	-70.9	-45.9	0	0	0	110.4	S285 S289	S285-N287 PolarHBondContact O-N 3.37Å; N287-S289 PolarHBondContact O-N 2.7Å
288	I	24	Very low	27.6	Very low	157 Å²	157	133.9 Å²	133.9	81%	0.805	78%	0.779	S	S	*	*			trans	-78.8	105	168.1	-61.6	171.5	0	0	0	105.9	S286 C290	S286-I288 PolarHBondContact O-N 3.34Å; I288-C290 PolarHBondContact O-N 2.79Å; I288-C290 VanDerWaalsContact O-N 3.12Å
289	S	26.8	Very low	27.6	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	79%	0.788	S	S	*	*			trans	-51.8	117.1	171.7	-69.9	0	0	0	0	109.4	N287 S291	N287-S289 PolarHBondContact O-N 2.7Å; S289-S291 PolarHBondContact O-N 2.95Å
290	C	24.9	Very low	27.8	Very low	128 Å²	128	137.1 Å²	137.1	87%	0.865	79%	0.788	S	S	*	*			trans	-67.6	101.7	178.7	-150.5	0	0	0	0	108.2	I288 K292	I288-C290 PolarHBondContact O-N 2.79Å; I288-C290 VanDerWaalsContact O-N 3.12Å; C290-K292 PolarHBondContact O-N 3.23Å; C290-K292 VanDerWaalsContact O-N 3.07Å
291	S	27.1	Very low	27.9	Very low	115 Å²	115	138 Å²	138	80%	0.804	79%	0.787	S	S	*	*			trans	-58.2	112.6	175	-55.1	0	0	0	0	109.5	S289	S289-S291 PolarHBondContact O-N 2.95Å
292	K	26.2	Very low	28	Very low	193 Å²	193	140.5 Å²	140.5	84%	0.839	79%	0.793	S	S	*	*			trans	-59	157	165.4	-86	175.1	172.2	174.8	0	110.3	C290	C290-K292 PolarHBondContact O-N 3.23Å; C290-K292 VanDerWaalsContact O-N 3.07Å
293	S	25.7	Very low	28.2	Very low	111 Å²	111	142 Å²	142	78%	0.776	79%	0.79	S	S	*	*			trans	77.2	125.7	173.4	77.6	0	0	0	0	113
294	V	30.3	Very low	28.5	Very low	113 Å²	113	137.4 Å²	137.4	69%	0.685	79%	0.786	S	S	*	*				-144.7	93.3	61.6	-177.8	0	0	0	0	109.8	C296	V294-C296 HydrophobicContact CG1-CB 3.68Å; V294-C296 WeakPolarHBondContact CG1-SG 3.07Å; V294-C296 PolarHBondContact O-N 3.5Å
295	N	27	Very low	28.5	Very low	166 Å²	166	143 Å²	143	89%	0.888	79%	0.792	S	S	*	*			trans	-77	70.3	160.3	-91.5	-9.6	0	0	0	107.7	V297	N295-V297 VanDerWaalsContact C-N 3.31Å; N295-V297 PolarHBondContact O-N 3.15Å
296	C	25.9	Very low	28.9	Very low	107 Å²	107	142.2 Å²	142.2	72%	0.723	79%	0.786	S	S	*	*			trans	-92.8	73.6	167.3	-73.6	0	0	0	0	108.2	V294 G298	V294-C296 HydrophobicContact CG1-CB 3.68Å; V294-C296 WeakPolarHBondContact CG1-SG 3.07Å; V294-C296 PolarHBondContact O-N 3.5Å; C296-G298 PolarHBondContact O-N 2.97Å
297	V	30.9	Very low	29.2	Very low	128 Å²	128	147.5 Å²	147.5	78%	0.776	80%	0.797	S	S	*	*			trans	-75.9	103.6	153.9	178.7	0	0	0	0	103.9	N295 E299	N295-V297 VanDerWaalsContact C-N 3.31Å; N295-V297 PolarHBondContact O-N 3.15Å; V297-E299 PolarHBondContact O-N 2.99Å
298	G	30.2	Very low	29.4	Very low	54 Å²	54	148.6 Å²	148.6	56%	0.557	79%	0.794	S	S	*	*			trans	-54.4	112.8	176.4	0	0	0	0	0	109	C296 W300	C296-G298 PolarHBondContact O-N 2.97Å; G298-W300 PolarHBondContact O-N 2.72Å
299	E	28.4	Very low	29.8	Very low	192 Å²	192	150 Å²	150	90%	0.897	80%	0.797	S	S	*	*			trans	-58.6	118.9	166.9	-81.2	-177.6	139.1	0	0	107.1	V297 E301	V297-E299 PolarHBondContact O-N 2.99Å; E299-E301 PolarHBondContact O-N 2.75Å
300	W	29.6	Very low	30.1	Very low	241 Å²	241	152 Å²	152	91%	0.913	81%	0.805	S	S	*	*			trans	-69.9	102.5	173.9	-72.2	76.6	0	0	0	107.4	G298 N302	G298-W300 PolarHBondContact O-N 2.72Å; W300-N302 PolarHBondContact O-N 2.92Å; W300-N302 VanDerWaalsContact O-N 3.09Å
301	E	32.3	Very low	30.6	Very low	181 Å²	181	150.7 Å²	150.7	85%	0.846	80%	0.797	S	S	*	*			trans	-62.1	111.3	173.2	-131.9	177.2	-179	0	0	108.3	E299 I303	E299-E301 PolarHBondContact O-N 2.75Å; E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 3.29Å
302	N	29.8	Very low	30.9	Very low	151 Å²	151	150.6 Å²	150.6	81%	0.807	79%	0.794	S	S	*	*			trans	-68.8	92.6	174.7	-79.6	-56.5	0	0	0	108.3	W300 P304	W300-N302 PolarHBondContact O-N 2.92Å; W300-N302 VanDerWaalsContact O-N 3.09Å; N302-P304 WeakPolarHBondContact O-CD 3.29Å; N302-P304 VanDerWaalsContact O-N 3.12Å
303	I	32	Very low	30.9	Very low	150 Å²	150	147.5 Å²	147.5	77%	0.769	80%	0.795	S	S	*	*			trans	-59.9	115.8	173.1	-58	174.7	0	0	0	107.6	E301 Y305	E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 3.29Å; I303-Y305 PolarHBondContact O-N 3.27Å
304	P	33.6	Very low	31.4	Very low	115 Å²	115	147.3 Å²	147.3	75%	0.747	79%	0.791	S	S	*	*			trans	-63.6	123.8	179.1	-13.1	25.2	0	0	0	109.3	N302 S306	N302-P304 WeakPolarHBondContact O-CD 3.29Å; N302-P304 VanDerWaalsContact O-N 3.12Å; P304-S306 PolarHBondContact O-N 2.77Å
305	Y	28.2	Very low	31.5	Very low	230 Å²	230	147.5 Å²	147.5	90%	0.902	79%	0.794	S	S	*	*			trans	-67	101.2	176	-138.7	-94	0	0	0	108.6	I303 K307	I303-Y305 PolarHBondContact O-N 3.27Å; Y305-K307 PolarHBondContact O-N 2.94Å
306	S	36.7	Very low	31.7	Very low	91 Å²	91	145.9 Å²	145.9	64%	0.636	80%	0.796	S	S	*	*			trans	-68.7	121.7	171.4	55.2	0	0	0	0	108.7	P304 K308	P304-S306 PolarHBondContact O-N 2.77Å; S306-K308 VanDerWaalsContact C-N 3.3Å; S306-K308 PolarHBondContact O-N 3.02Å
307	K	34.5	Very low	32	Very low	206 Å²	206	146.3 Å²	146.3	90%	0.896	80%	0.795	S	S	*	*			trans	-60.7	93	170.6	-82.1	178.2	174.2	177	0	108	Y305 E309	Y305-K307 PolarHBondContact O-N 2.94Å; K307-E309 PolarHBondContact O-N 2.75Å
308	K	33.1	Very low	32.1	Very low	188 Å²	188	144.5 Å²	144.5	82%	0.817	79%	0.789	S	S	*	*			trans	-69.3	119.9	161.9	-81.3	-173.3	175.2	-178.2	0	107.4	S306 V310	S306-K308 VanDerWaalsContact C-N 3.3Å; S306-K308 PolarHBondContact O-N 3.02Å; K308-V310 PolarHBondContact O-N 3.42Å
309	E	32.9	Very low	32.2	Very low	186 Å²	186	147.8 Å²	147.8	87%	0.869	79%	0.794	S	S	*	*			trans	-52.7	134.3	173.7	-66	-171.3	152.2	0	0	110	K307 S311	K307-E309 PolarHBondContact O-N 2.75Å; E309-S311 VanDerWaalsContact C-N 3.35Å; E309-S311 PolarHBondContact O-N 2.79Å
310	V	32.7	Very low	32.3	Very low	146 Å²	146	149.2 Å²	149.2	89%	0.885	79%	0.791	S	S	*	*			trans	-72.2	90.4	-177	-179.9	0	0	0	0	107.6	K308	K308-V310 PolarHBondContact O-N 3.42Å
311	S	35	Very low	32.4	Very low	100 Å²	100	147.9 Å²	147.9	70%	0.699	79%	0.787	S	S	*	*			trans	-73.3	139.2	165.8	-173.6	0	0	0	0	109.4	E309	E309-S311 VanDerWaalsContact C-N 3.35Å; E309-S311 PolarHBondContact O-N 2.79Å
312	P	34.6	Very low	32.5	Very low	114 Å²	114	144 Å²	144	74%	0.74	78%	0.78	S	S	*	*			trans	-60.5	137	-172.5	-19.9	31.5	0	0	0	112.9	P314	P312-P314 WeakPolarHBondContact O-CD 3.19Å
313	C	25	Very low	32.9	Very low	127 Å²	127	144.3 Å²	144.3	86%	0.858	78%	0.78	S	S	*	*			trans	-42	116.8	-177	-58	0	0	0	0	114.8
314	P	36.3	Very low	33.2	Very low	108 Å²	108	145.7 Å²	145.7	70%	0.701	78%	0.781	S	S	*	*			trans	-82.1	160.5	152.3	32.8	-27.7	0	0	0	110.2	P312	P312-P314 WeakPolarHBondContact O-CD 3.19Å
315	P	32.9	Very low	33.6	Very low	116 Å²	116	149 Å²	149	75%	0.753	79%	0.786	S	S	*	*			trans	-61.8	139.6	-167.1	-19.5	30.9	0	0	0	113.2	T317	P315-T317 PolarHBondContact O-N 2.92Å
316	S	30.5	Very low	34	Very low	133 Å²	133	144 Å²	144	93%	0.93	78%	0.78	S	S	*	*			trans	-47	90.7	170.9	-73.4	0	0	0	0	112.2
317	T	33.1	Very low	34.1	Very low	115 Å²	115	147.4 Å²	147.4	71%	0.706	78%	0.783	S	S	*	*			trans	-88	116.3	160	43.9	0	0	0	0	106.9	P315 N319	P315-T317 PolarHBondContact O-N 2.92Å; T317-N319 PolarHBondContact O-N 3.17Å
318	S	33.4	Very low	34.3	Very low	90 Å²	90	143.3 Å²	143.3	63%	0.629	77%	0.771	S	S	*	*			trans	-59.1	80.7	176.7	154.5	0	0	0	0	110.3	R320	S318-R320 PolarHBondContact O-N 2.7Å
319	N	31.2	Very low	34.6	Very low	124 Å²	124	137.9 Å²	137.9	66%	0.663	75%	0.753	S	S	*	*			trans	-77.3	81.1	163.8	-83	-30.3	0	0	0	107.8	T317 Y321	T317-N319 PolarHBondContact O-N 3.17Å; N319-Y321 VanDerWaalsContact C-N 3.28Å; N319-Y321 HydrophobicContact CB-CE2 4.5Å; N319-Y321 PolarHBondContact O-N 3.42Å
320	R	30.2	Very low	35.2	Very low	222 Å²	222	136.4 Å²	136.4	84%	0.838	75%	0.752	S	S	*	*			trans	-59.6	96.3	162.8	-71.2	-178.9	-172.9	-171.5	0.8	106.9	S318 S322	S318-R320 PolarHBondContact O-N 2.7Å; R320-S322 PolarHBondContact O-N 2.86Å
321	Y	33.4	Very low	35.6	Very low	212 Å²	212	135.5 Å²	135.5	83%	0.831	74%	0.739	S	S	*	*			trans	-62.9	97.9	156.4	-71.4	-83.5	0	0	0	105.9	N319 L323	N319-Y321 VanDerWaalsContact C-N 3.28Å; N319-Y321 HydrophobicContact CB-CE2 4.5Å; N319-Y321 PolarHBondContact O-N 3.42Å; Y321-L323 PolarHBondContact O-N 3.41Å
322	S	34	Very low	35.7	Very low	99 Å²	99	136.9 Å²	136.9	69%	0.692	73%	0.733	S	S	*	*			trans	-63.9	92.3	170.1	63.4	0	0	0	0	106.4	R320 K324	R320-S322 PolarHBondContact O-N 2.86Å; S322-K324 VanDerWaalsContact C-N 3.28Å; S322-K324 PolarHBondContact O-N 2.98Å
323	L	38.2	Very low	36	Very low	158 Å²	158	137.3 Å²	137.3	83%	0.827	74%	0.736	S	S	*	*			trans	-56.7	104	163.2	-168.5	75	0	0	0	104.5	Y321 Q325	Y321-L323 PolarHBondContact O-N 3.41Å; L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 2.79Å
324	K	37.8	Very low	36.7	Very low	179 Å²	179	135.9 Å²	135.9	78%	0.778	72%	0.723	S	S	*	*			trans	-55.1	104.5	176.4	-73.3	-178.7	177.8	179.1	0	105.3	S322 T326	S322-K324 VanDerWaalsContact C-N 3.28Å; S322-K324 PolarHBondContact O-N 2.98Å; K324-T326 PolarHBondContact O-N 3.01Å
325	Q	41.9	Very low	37	Very low	184 Å²	184	138 Å²	138	86%	0.86	73%	0.728	S	S	*	*			trans	-59	100.1	169.8	-73.5	177.9	-9.1	0	0	104.9	L323 K327	L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 2.79Å; Q325-K327 VanDerWaalsContact C-N 3.32Å; Q325-K327 PolarHBondContact O-N 3.24Å
326	T	36.2	Very low	37.2	Very low	127 Å²	127	141.4 Å²	141.4	78%	0.779	73%	0.731	S	S	*	*			trans	-59.4	105.5	167.9	33.5	0	0	0	0	105	K324 L328	K324-T326 PolarHBondContact O-N 3.01Å; T326-L328 PolarHBondContact O-N 3.2Å
327	K	38.3	Very low	37.7	Very low	161 Å²	161	140.6 Å²	140.6	70%	0.7	72%	0.723	S	S	*	*			trans	-55.4	110.9	-177.5	-141.6	-179	179	178.1	0	106.1	Q325 T329 D330	Q325-K327 VanDerWaalsContact C-N 3.32Å; Q325-K327 PolarHBondContact O-N 3.24Å; K327-T329 VanDerWaalsContact CG-OG1 3.25Å; K327-T329 WeakPolarHBondContact CG-OG1 3.39Å; K327-T329 PolarHBondContact O-N 3.3Å; K327-D330 PolarHBondContact O-N 3.23Å
328	L	38.9	Very low	37.9	Very low	120 Å²	120	143 Å²	143	63%	0.628	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-51.8	-16.8	-178.3	-90.6	156.9	0	0	0	113.5	T326 D330 M331	T326-L328 PolarHBondContact O-N 3.2Å; L328-D330 PolarHBondContact O-N 3.49Å; L328-M331 HydrophobicContact CD2-CE 3.73Å; L328-M331 HydrophobicContact CD2-SD 4.3Å; L328-M331 WeakPolarHBondContact O-CB 3.5Å; L328-M331 PolarHBondContact O-N 3.41Å
329	T	39.9	Very low	38.1	Very low	74 Å²	74	148 Å²	148	45%	0.454	74%	0.74	S	S	.	*	G	3₁₀ helix	trans	-52.6	-28.1	168.8	11	0	0	0	0	115	K327 M331 V334	K327-T329 VanDerWaalsContact CG-OG1 3.25Å; K327-T329 WeakPolarHBondContact CG-OG1 3.39Å; K327-T329 PolarHBondContact O-N 3.3Å; T329-M331 VanDerWaalsContact C-N 3.25Å; T329-M331 PolarHBondContact O-N 3.43Å; T329-V334 HydrophobicContact CG2-CG2 4.21Å
330	D	46.2	Very low	38.3	Very low	156 Å²	156	146.9 Å²	146.9	83%	0.834	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-77.9	-14.6	177	-72.2	-15.7	0	0	0	112.6	K327 L328	K327-D330 PolarHBondContact O-N 3.23Å; L328-D330 PolarHBondContact O-N 3.49Å
331	M	39.9	Very low	38.3	Very low	127 Å²	127	141.4 Å²	141.4	63%	0.626	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-17.5	-175.8	-141.2	178.8	62	0	0	113	L328 T329	L328-M331 HydrophobicContact CD2-CE 3.73Å; L328-M331 HydrophobicContact CD2-SD 4.3Å; L328-M331 WeakPolarHBondContact O-CB 3.5Å; L328-M331 PolarHBondContact O-N 3.41Å; T329-M331 VanDerWaalsContact C-N 3.25Å; T329-M331 PolarHBondContact O-N 3.43Å
332	F	38.4	Very low	38.4	Very low	129 Å²	129	137.8 Å²	137.8	57%	0.566	74%	0.737	S	S	*	*	S	Bend	trans	-122.2	124.2	176.7	-61.8	-80.9	0	0	0	108.3	V334	F332-V334 PolarHBondContact O-N 3.08Å
333	P	39.4	Very low	38.2	Very low	123 Å²	123	140 Å²	140	80%	0.799	74%	0.74	S	S	*	*			trans	-64	88.6	166.5	26.5	-30.5	0	0	0	107.5	N335	P333-N335 PolarHBondContact O-N 3.19Å; P333-N335 VanDerWaalsContact O-N 3.09Å
334	V	41	Very low	38	Very low	97 Å²	97	138.6 Å²	138.6	59%	0.588	74%	0.742	S	S	*	*			trans	-62.6	114.5	165.4	-178	0	0	0	0	104.2	T329 F332 K336	T329-V334 HydrophobicContact CG2-CG2 4.21Å; F332-V334 PolarHBondContact O-N 3.08Å; V334-K336 VanDerWaalsContact C-N 3.27Å; V334-K336 PolarHBondContact O-N 2.65Å
335	N	42.7	Very low	37.7	Very low	152 Å²	152	136.6 Å²	136.6	81%	0.813	75%	0.745	S	S	*	*			trans	-45.7	93.9	174.9	-68.1	-35.4	0	0	0	108.5	P333 P337	P333-N335 PolarHBondContact O-N 3.19Å; P333-N335 VanDerWaalsContact O-N 3.09Å; N335-P337 WeakPolarHBondContact O-CD 3.41Å
336	K	37.5	Very low	37.5	Very low	188 Å²	188	139.4 Å²	139.4	82%	0.817	77%	0.766	S	S	*	*			trans	-64.6	124.3	175.7	-78	-178.9	179.8	174.1	0	105.1	V334 I338	V334-K336 VanDerWaalsContact C-N 3.27Å; V334-K336 PolarHBondContact O-N 2.65Å; K336-I338 PolarHBondContact O-N 2.85Å
337	P	39.8	Very low	37.5	Very low	116 Å²	116	140.1 Å²	140.1	75%	0.753	77%	0.765	S	S	*	*			trans	-55.6	120.1	171.3	21.3	-29.6	0	0	0	106.8	N335 K339	N335-P337 WeakPolarHBondContact O-CD 3.41Å; P337-K339 PolarHBondContact O-N 3.08Å
338	I	38.2	Very low	37.5	Very low	164 Å²	164	138.9 Å²	138.9	84%	0.841	77%	0.769	S	S	*	*			trans	-57	110.6	174.8	-61.5	166.8	0	0	0	104.6	K336 S340	K336-I338 PolarHBondContact O-N 2.85Å; I338-S340 PolarHBondContact O-N 3.05Å
339	K	37.3	Very low	37.4	Very low	195 Å²	195	140 Å²	140	85%	0.848	78%	0.777	S	S	*	*			trans	-56.6	112.6	170.6	-73.3	-175	176.8	-175.1	0	105.7	P337 C341	P337-K339 PolarHBondContact O-N 3.08Å; K339-C341 PolarHBondContact O-N 3.48Å; K339-C341 VanDerWaalsContact O-N 3.17Å
340	S	36.1	Very low	37.3	Very low	102 Å²	102	143.9 Å²	143.9	71%	0.713	80%	0.796	S	S	*	*			trans	-50.5	122.5	170.7	38.7	0	0	0	0	107.5	I338 T342	I338-S340 PolarHBondContact O-N 3.05Å; S340-T342 PolarHBondContact O-N 3.1Å
341	C	29.8	Very low	36.7	Very low	107 Å²	107	143.1 Å²	143.1	72%	0.723	79%	0.793	S	S	*	*			trans	-69.3	97.9	-179.6	-161.7	0	0	0	0	107.9	K339 L343	K339-C341 PolarHBondContact O-N 3.48Å; K339-C341 VanDerWaalsContact O-N 3.17Å; C341-L343 PolarHBondContact O-N 3.15Å
342	T	34.1	Very low	36.5	Very low	135 Å²	135	144.2 Å²	144.2	83%	0.828	80%	0.804	S	S	*	*			trans	-74.2	76.3	165.1	43.3	0	0	0	0	108.4	S340	S340-T342 PolarHBondContact O-N 3.1Å
343	L	30.4	Very low	36.4	Very low	145 Å²	145	145.3 Å²	145.3	76%	0.759	82%	0.821	S	S	*	*			trans	-141.6	56.5	170.8	-104.4	159.8	0	0	0	108.2	C341	C341-L343 PolarHBondContact O-N 3.15Å
344	C	34.4	Very low	36.1	Very low	129 Å²	129	147 Å²	147	87%	0.872	82%	0.823	S	S	*	*			trans	-150.7	61.1	167.4	-77.4	0	0	0	0	107.9
345	T	31.6	Very low	35.7	Very low	138 Å²	138	151.2 Å²	151.2	85%	0.847	84%	0.843	S	S	*	*			trans	-122.9	96.3	156.3	32.9	0	0	0	0	105.8
346	N	37	Very low	35.1	Very low	243 Å²	243	151.1 Å²	151.1	100%	1.299	85%	0.846	S	S	*	*			trans	-131	0	150.7	-108.9	-12.7	0	0	0	106.4

Retrieved 346 of 346 residues in 235.1 ms (Link to these results)

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