A0A077ZDS9_TRITR Loading...

Fip motif protein family protein fip motif famil y protein

AlphaFold DB , UniProt , Accession A0A077ZDS9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 387 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	40.2	Very low	42.4	Very low	236 Å²	236	159.6 Å²	159.6	100%	1.163	82%	0.824	S	S	*	*				0	102.4	0	-82.3	169.4	174.3	0	0	109.1	K3	M1-K3 PolarHBondContact O-N 3.47Å
2	I	38.9	Very low	42.8	Very low	165 Å²	165	158.8 Å²	158.8	85%	0.846	82%	0.816	S	S	*	*			trans	-85.8	106	177.5	-61.2	170.8	0	0	0	107.5	R4	I2-R4 PolarHBondContact O-N 3.31Å
3	K	39.2	Very low	43.4	Very low	181 Å²	181	150.5 Å²	150.5	79%	0.787	80%	0.795	S	S	*	*			trans	-74.2	103.6	175.1	-72.9	179.6	177.8	176.6	0	108.8	M1 F5	M1-K3 PolarHBondContact O-N 3.47Å; K3-F5 PolarHBondContact O-N 2.97Å
4	R	38.4	Very low	43.4	Very low	236 Å²	236	149.4 Å²	149.4	89%	0.891	80%	0.8	S	S	*	*			trans	-69.6	108.3	166.5	-71	-169.7	174.9	-177.2	-0.6	108.5	I2 S6	I2-R4 PolarHBondContact O-N 3.31Å; R4-S6 PolarHBondContact O-N 3.31Å
5	F	41.6	Very low	43.9	Very low	171 Å²	171	153.8 Å²	153.8	75%	0.75	80%	0.801	S	S	*	*			trans	-73	107.8	167	-90.2	-89.1	0	0	0	108.8	K3 F7	K3-F5 PolarHBondContact O-N 2.97Å; F5-F7 HydrophobicContact CB-CE2 4.26Å
6	S	42.9	Very low	43.9	Very low	115 Å²	115	147.4 Å²	147.4	80%	0.804	78%	0.784	S	S	*	*			trans	-87.9	107.2	170	179.8	0	0	0	0	108.5	R4	R4-S6 PolarHBondContact O-N 3.31Å
7	F	37.9	Very low	44	Very low	173 Å²	173	146.8 Å²	146.8	76%	0.759	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-80.1	134.4	170	-73.6	-85.2	0	0	0	109.9	F5	F5-F7 HydrophobicContact CB-CE2 4.26Å
8	P	46	Very low	44	Very low	106 Å²	106	147.8 Å²	147.8	69%	0.688	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70.4	148.7	175.9	29.5	-33.8	0	0	0	111
9	P	44.1	Very low	43.8	Very low	112 Å²	112	143.9 Å²	143.9	73%	0.727	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-62.1	144.7	175.1	26.5	-33.4	0	0	0	110.7	T11	P9-T11 PolarHBondContact O-N 3.01Å; P9-T11 VanDerWaalsContact O-N 3.16Å
10	P	48.4	Very low	43.7	Very low	121 Å²	121	143.4 Å²	143.4	79%	0.786	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-63.3	117.9	-179.2	24.9	-32.9	0	0	0	110.9	M12	P10-M12 PolarHBondContact O-N 3.14Å; P10-M12 VanDerWaalsContact O-N 3.09Å
11	T	48.7	Very low	43.7	Very low	140 Å²	140	144.6 Å²	144.6	86%	0.859	79%	0.786	S	S	*	*			trans	-60.4	108	173.2	-45.2	0	0	0	0	109.6	P9 G13	P9-T11 PolarHBondContact O-N 3.01Å; P9-T11 VanDerWaalsContact O-N 3.16Å; T11-G13 PolarHBondContact O-N 3.07Å
12	M	47.9	Very low	44	Very low	149 Å²	149	142.4 Å²	142.4	73%	0.734	77%	0.771	S	S	*	*			trans	-68.9	114.1	172.6	-65.5	-125.8	83.7	0	0	109.3	P10	P10-M12 PolarHBondContact O-N 3.14Å; P10-M12 VanDerWaalsContact O-N 3.09Å
13	G	49.8	Very low	43.8	Very low	52 Å²	52	139.4 Å²	139.4	54%	0.536	77%	0.77	S	S	.	*			trans	-62.4	164.4	170.1	0	0	0	0	0	112.5	T11 R15	T11-G13 PolarHBondContact O-N 3.07Å; G13-R15 PolarHBondContact O-N 2.95Å
14	P	44.4	Very low	43.9	Very low	135 Å²	135	135.9 Å²	135.9	88%	0.877	76%	0.76	S	S	*	*			trans	-64.6	124.3	-172.7	27.5	-32.6	0	0	0	110.3	G16	P14-G16 PolarHBondContact O-N 3.11Å; P14-G16 VanDerWaalsContact O-N 3.11Å
15	R	50.4	Low	43.9	Very low	215 Å²	215	134.8 Å²	134.8	81%	0.811	76%	0.761	S	S	*	*			trans	-68.5	107.2	176.9	-61.6	180	-159.9	-141	1.2	108.6	G13	G13-R15 PolarHBondContact O-N 2.95Å
16	G	44.4	Very low	44.3	Very low	51 Å²	51	134.1 Å²	134.1	53%	0.526	77%	0.765	S	S	.	*			trans	-60.2	157.2	163.1	0	0	0	0	0	110.7	P14 L18	P14-G16 PolarHBondContact O-N 3.11Å; P14-G16 VanDerWaalsContact O-N 3.11Å; G16-L18 PolarHBondContact O-N 3.16Å; G16-L18 VanDerWaalsContact O-N 3.08Å
17	P	45.5	Very low	44.4	Very low	137 Å²	137	133.9 Å²	133.9	89%	0.89	76%	0.755	S	S	*	*			trans	-65.5	114.4	-176.8	-2.1	15	0	0	0	109.4	A19	P17-A19 PolarHBondContact O-N 3.44Å
18	L	44.5	Very low	44.8	Very low	166 Å²	166	130.4 Å²	130.4	87%	0.869	74%	0.743	S	S	*	*			trans	-70	119.2	172.6	-65.4	173.9	0	0	0	108.3	G16	G16-L18 PolarHBondContact O-N 3.16Å; G16-L18 VanDerWaalsContact O-N 3.08Å
19	A	39.9	Very low	45.1	Very low	74 Å²	74	131.7 Å²	131.7	61%	0.612	74%	0.744	S	S	*	*			trans	-54.6	138	177.2	0	0	0	0	0	111.5	P17 K21	P17-A19 PolarHBondContact O-N 3.44Å; A19-K21 VanDerWaalsContact C-N 3.33Å; A19-K21 PolarHBondContact O-N 3.32Å
20	P	40.8	Very low	45.3	Very low	132 Å²	132	130.1 Å²	130.1	86%	0.857	74%	0.736	S	S	*	*	S	Bend	trans	-80.8	82.5	-177.5	34	-31.8	0	0	0	108.5
21	K	44.5	Very low	45.7	Very low	170 Å²	170	126.8 Å²	126.8	74%	0.739	71%	0.713	S	S	*	*			trans	-130.9	35.2	177.9	-68.1	-167.9	178.3	-177.8	0	113.2	A19	A19-K21 VanDerWaalsContact C-N 3.33Å; A19-K21 PolarHBondContact O-N 3.32Å
22	F	46.5	Very low	46	Very low	190 Å²	190	121.8 Å²	121.8	83%	0.833	69%	0.686	S	S	*	*			trans	-150.1	60.1	164.5	-64.6	-71.2	0	0	0	110.3	N24	F22-N24 PolarHBondContact O-N 2.97Å
23	A	33.4	Very low	46.6	Very low	101 Å²	101	119.1 Å²	119.1	84%	0.835	68%	0.678	S	S	*	*			trans	-88	56.2	164.6	0	0	0	0	0	109.5
24	N	42.5	Very low	46.7	Very low	107 Å²	107	117.9 Å²	117.9	57%	0.572	66%	0.66	S	S	*	*			trans	-98	112.3	166.9	-66.2	-21.6	0	0	0	105.9	F22 L26	F22-N24 PolarHBondContact O-N 2.97Å; N24-L26 PolarHBondContact O-N 3.11Å
25	K	37.5	Very low	47.2	Very low	213 Å²	213	118.7 Å²	118.7	93%	0.926	66%	0.657	S	S	*	*			trans	-44.4	101.5	170	-100.9	160.9	160.7	-91	0	108.9	D27	K25-D27 PolarHBondContact O-N 3.17Å
26	L	50.2	Low	47.5	Very low	157 Å²	157	111.9 Å²	111.9	82%	0.822	65%	0.654	S	S	*	*			trans	-71.7	113.1	166.3	-75	163.6	0	0	0	105.6	N24 I28	N24-L26 PolarHBondContact O-N 3.11Å; L26-I28 PolarHBondContact O-N 3.39Å
27	D	45.1	Very low	48	Very low	110 Å²	110	110.9 Å²	110.9	59%	0.588	64%	0.641	S	S	*	*			trans	-73.7	107.1	171.2	-174.6	15.4	0	0	0	107.8	K25 D29 S30	K25-D27 PolarHBondContact O-N 3.17Å; D27-D29 PolarHBondContact O-N 3.31Å; D27-S30 PolarHBondContact O-N 3.2Å; D27-S30 WeakPolarHBondContact OD2-CB 3.26Å
28	I	47	Very low	48.7	Very low	100 Å²	100	105.4 Å²	105.4	51%	0.513	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.8	-23	-170.6	-65.5	161.2	0	0	0	110.8	L26	L26-I28 PolarHBondContact O-N 3.39Å
29	D	51.4	Low	49.6	Very low	133 Å²	133	97.7 Å²	97.7	71%	0.711	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-2.1	-177.3	-62.2	-46.1	0	0	0	113.2	D27 T31	D27-D29 PolarHBondContact O-N 3.31Å; D29-T31 PolarHBondContact O-N 2.81Å
30	S	48.6	Very low	50.7	Low	80 Å²	80	95.2 Å²	95.2	56%	0.559	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-72.2	124.1	-175.8	-155.5	0	0	0	0	111.5	D27 A32	D27-S30 PolarHBondContact O-N 3.2Å; D27-S30 WeakPolarHBondContact OD2-CB 3.26Å; S30-A32 PolarHBondContact O-N 3.16Å
31	T	56.2	Low	51.5	Low	50 Å²	50	94.3 Å²	94.3	31%	0.307	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-72.1	121.5	170.7	50	0	0	0	0	109.8	D29 V33 Y40	D29-T31 PolarHBondContact O-N 2.81Å; T31-V33 PolarHBondContact O-N 2.87Å; T31-Y40 HydrophobicContact CG2-CE2 3.82Å
32	A	56.7	Low	52.2	Low	35 Å²	35	87.8 Å²	87.8	29%	0.289	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-58.3	130.3	173.1	0	0	0	0	0	110.3	S30 I39 I300	S30-A32 PolarHBondContact O-N 3.16Å; A32-I39 PolarHBondContact O-N 2.82Å; A32-I300 HydrophobicContact CB-CD1 4.29Å
33	V	58.4	Low	52.9	Low	93 Å²	93	81.7 Å²	81.7	56%	0.564	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.9	175.3	-179.8	0	0	0	0	107.7	T31 A37	T31-V33 PolarHBondContact O-N 2.87Å; V33-A37 CarbonylContact C-O 3.59Å; V33-A37 VanDerWaalsContact CA-O 3.32Å; V33-A37 WeakPolarHBondContact CA-O 3.39Å; V33-A37 WeakPolarHBondContact CG1-O 3.38Å
34	V	52.6	Low	54.2	Low	26 Å²	26	77 Å²	77	16%	0.158	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.4	174.5	-178.8	0	0	0	0	106.8	G36 A37 L42 I300	V34-G36 PolarHBondContact O-N 2.84Å; V34-A37 PolarHBondContact N-O 3.09Å; V34-A37 PolarHBondContact O-N 3.35Å; V34-A37 VanDerWaalsContact O-O 3.08Å; V34-L42 HydrophobicContact CB-CD1 4.1Å; V34-L42 HydrophobicContact CG1-CD1 3.84Å; V34-I300 HydrophobicContact CG2-CD1 3.73Å
35	N	54.8	Low	54.8	Low	153 Å²	153	75.4 Å²	75.4	82%	0.818	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	33	-177.4	-58.2	-19.1	0	0	0	114.8	A37	N35-A37 PolarHBondContact O-N 2.89Å
36	G	57.4	Low	55.7	Low	72 Å²	72	71.3 Å²	71.3	74%	0.742	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-9.5	-177.7	0	0	0	0	0	114.9	V34	V34-G36 PolarHBondContact O-N 2.84Å
37	A	54.9	Low	56.2	Low	30 Å²	30	66.8 Å²	66.8	25%	0.248	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	148.4	175.3	0	0	0	0	0	111.2	V33 V34 N35 E41	V33-A37 CarbonylContact C-O 3.59Å; V33-A37 VanDerWaalsContact CA-O 3.32Å; V33-A37 WeakPolarHBondContact CA-O 3.39Å; V33-A37 WeakPolarHBondContact CG1-O 3.38Å; V34-A37 PolarHBondContact N-O 3.09Å; V34-A37 PolarHBondContact O-N 3.35Å; V34-A37 VanDerWaalsContact O-O 3.08Å; N35-A37 PolarHBondContact O-N 2.89Å; A37-E41 HydrophobicContact CB-CB 4.18Å
38	S	60	Low	56.6	Low	22 Å²	22	71.1 Å²	71.1	15%	0.154	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	147.5	174	74.4	0	0	0	0	110	Y40 E41 L42	S38-Y40 PolarHBondContact O-N 2.97Å; S38-E41 WeakPolarHBondContact O-CA 3.41Å; S38-E41 WeakPolarHBondContact O-CB 3.47Å; S38-E41 PolarHBondContact O-N 3.05Å; S38-E41 VanDerWaalsContact OG-CG 3.31Å; S38-E41 WeakPolarHBondContact OG-CG 3.36Å; S38-E41 PolarHBondContact OG-N 3.17Å; S38-E41 PolarHBondContact OG-OE1 2.85Å; S38-L42 PolarHBondContact O-N 3.37Å; S38-L42 VanDerWaalsContact O-N 3.15Å
39	I	63.5	Low	57.1	Low	4 Å²	4	72.9 Å²	72.9	2%	0.021	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.5	178.3	-163.2	179.9	0	0	0	113.3	A32 I298 I300	A32-I39 PolarHBondContact O-N 2.82Å; I39-I298 HydrophobicContact CD1-CG2 3.58Å; I39-I300 HydrophobicContact CD1-CD1 3.72Å; I39-I300 HydrophobicContact CD1-CG1 4.04Å; I39-I300 HydrophobicContact CG1-CD1 4.42Å
40	Y	62.5	Low	58.1	Low	22 Å²	22	68.2 Å²	68.2	9%	0.086	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-15.4	176.9	-45.9	-73.8	0	0	0	113.2	T31 S38 Q79 R80 R83 I298	T31-Y40 HydrophobicContact CG2-CE2 3.82Å; S38-Y40 PolarHBondContact O-N 2.97Å; Y40-Q79 HydrophobicContact CD1-CB 3.51Å; Y40-Q79 HydrophobicContact CD1-CG 3.97Å; Y40-Q79 HydrophobicContact CE1-CB 3.91Å; Y40-Q79 HydrophobicContact CE1-CG 3.9Å; Y40-Q79 HydrophobicContact CG-CB 4.12Å; Y40-R80 PolarHBondContact O-NH2 3.39Å; Y40-R83 VanDerWaalsContact CE2-CZ 3.42Å; Y40-R83 PolarHBondContact OH-NH1 2.88Å; Y40-I298 HydrophobicContact CE1-CD1 4.44Å
41	E	58.7	Low	59.1	Low	112 Å²	112	65.7 Å²	65.7	52%	0.523	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.9	170	-76.2	159.8	-127.3	0	0	112.4	A37 S38 D43	A37-E41 HydrophobicContact CB-CB 4.18Å; S38-E41 WeakPolarHBondContact O-CA 3.41Å; S38-E41 WeakPolarHBondContact O-CB 3.47Å; S38-E41 PolarHBondContact O-N 3.05Å; S38-E41 VanDerWaalsContact OG-CG 3.31Å; S38-E41 WeakPolarHBondContact OG-CG 3.36Å; S38-E41 PolarHBondContact OG-N 3.17Å; S38-E41 PolarHBondContact OG-OE1 2.85Å; E41-D43 PolarHBondContact O-N 3.32Å
42	L	59.1	Low	60	Low	33 Å²	33	64.3 Å²	64.3	17%	0.173	36%	0.361	C	S	.	.			trans	-64.7	105.5	172.5	-163.5	91.7	0	0	0	109.2	V34 S38 L44 L47	V34-L42 HydrophobicContact CB-CD1 4.1Å; V34-L42 HydrophobicContact CG1-CD1 3.84Å; S38-L42 PolarHBondContact O-N 3.37Å; S38-L42 VanDerWaalsContact O-N 3.15Å; L42-L44 HydrophobicContact CD2-CD2 3.98Å; L42-L44 PolarHBondContact O-N 3.32Å; L42-L47 HydrophobicContact CD1-CD1 4.42Å; L42-L47 HydrophobicContact CD2-CD1 3.97Å; L42-L47 HydrophobicContact CG-CD1 4.07Å
43	D	60.3	Low	61	Low	63 Å²	63	70.4 Å²	70.4	34%	0.337	38%	0.376	S	S	.	.			trans	-78.3	109.4	172	-173.4	15.3	0	0	0	109.1	E41 T45 N46 L47	E41-D43 PolarHBondContact O-N 3.32Å; D43-T45 PolarHBondContact O-N 2.84Å; D43-T45 VanDerWaalsContact O-N 3.16Å; D43-T45 PolarHBondContact OD1-N 2.85Å; D43-T45 PolarHBondContact OD1-OG1 3.18Å; D43-T45 PolarHBondContact OD2-OG1 2.93Å; D43-N46 HydrophobicContact CB-CB 4.35Å; D43-N46 PolarHBondContact O-N 3.38Å; D43-N46 VanDerWaalsContact O-N 3.07Å; D43-N46 PolarHBondContact OD2-ND2 2.96Å; D43-L47 WeakPolarHBondContact O-CD1 3.33Å
44	L	60.1	Low	61.7	Low	1 Å²	1	71.2 Å²	71.2	1%	0.005	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-60.3	-26.1	-179.2	-74.4	-168.2	0	0	0	112.1	L42 N46 L47 H50 W52 F63 E69 W72 I175	L42-L44 HydrophobicContact CD2-CD2 3.98Å; L42-L44 PolarHBondContact O-N 3.32Å; L44-N46 PolarHBondContact O-N 3.1Å; L44-L47 HydrophobicContact CD2-CD1 4.35Å; L44-L47 PolarHBondContact O-N 3.39Å; L44-H50 PolarHBondContact O-CE1 3.21Å; L44-W52 HydrophobicContact CD1-CZ2 4.45Å; L44-W52 HydrophobicContact CD2-CH2 4.29Å; L44-F63 HydrophobicContact CD1-CE1 3.84Å; L44-F63 HydrophobicContact CD1-CZ 3.98Å; L44-E69 HydrophobicContact CB-CG 4.48Å; L44-E69 HydrophobicContact CD1-CG 4.18Å; L44-W72 HydrophobicContact CD1-CB 4.3Å; L44-W72 HydrophobicContact CD1-CG 3.81Å; L44-W72 VanDerWaalsContact CG-CD1 3.48Å; L44-I175 HydrophobicContact CD1-CD1 4.21Å; L44-I175 HydrophobicContact CD2-CD1 4.15Å
45	T	56.8	Low	62.7	Low	75 Å²	75	76 Å²	76	46%	0.46	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-74.5	-14.8	179.7	54	0	0	0	0	113.8	D43	D43-T45 PolarHBondContact O-N 2.84Å; D43-T45 VanDerWaalsContact O-N 3.16Å; D43-T45 PolarHBondContact OD1-N 2.85Å; D43-T45 PolarHBondContact OD1-OG1 3.18Å; D43-T45 PolarHBondContact OD2-OG1 2.93Å
46	N	55.9	Low	63.8	Low	126 Å²	126	72.8 Å²	72.8	67%	0.674	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-94.6	3	176.4	-70.5	-24.6	0	0	0	113	D43 L44 E48	D43-N46 HydrophobicContact CB-CB 4.35Å; D43-N46 PolarHBondContact O-N 3.38Å; D43-N46 VanDerWaalsContact O-N 3.07Å; D43-N46 PolarHBondContact OD2-ND2 2.96Å; L44-N46 PolarHBondContact O-N 3.1Å; N46-E48 PolarHBondContact O-N 3.43Å
47	L	59.7	Low	64.5	Low	63 Å²	63	71 Å²	71	33%	0.33	39%	0.387	S	S	.	.			trans	-75.1	123.2	170.5	-88.5	77.3	0	0	0	109	L42 D43 L44 E49 H50 W52	L42-L47 HydrophobicContact CD1-CD1 4.42Å; L42-L47 HydrophobicContact CD2-CD1 3.97Å; L42-L47 HydrophobicContact CG-CD1 4.07Å; D43-L47 WeakPolarHBondContact O-CD1 3.33Å; L44-L47 HydrophobicContact CD2-CD1 4.35Å; L44-L47 PolarHBondContact O-N 3.39Å; L47-E49 PolarHBondContact O-N 3Å; L47-E49 VanDerWaalsContact O-N 3.08Å; L47-H50 PolarHBondContact O-CE1 2.68Å; L47-W52 HydrophobicContact CD2-CH2 4.3Å
48	E	53.4	Low	65.5	Low	200 Å²	200	73.6 Å²	73.6	94%	0.935	40%	0.397	S	S	*	.	S	Bend	trans	-58.8	-23.3	-175.5	-69	176.8	160.1	0	0	113.9	N46	N46-E48 PolarHBondContact O-N 3.43Å
49	E	58.3	Low	66	Low	138 Å²	138	76.1 Å²	76.1	65%	0.645	41%	0.408	S	S	*	.			trans	-135.4	129.1	177.5	-162.8	178.6	173.7	0	0	109.9	L47 P51	L47-E49 PolarHBondContact O-N 3Å; L47-E49 VanDerWaalsContact O-N 3.08Å; E49-P51 VanDerWaalsContact C-CD 3.41Å; E49-P51 WeakPolarHBondContact O-CD 3.47Å
50	H	72.8	Confident	66.6	Low	35 Å²	35	80.1 Å²	80.1	16%	0.162	43%	0.433	C	S	.	.			trans	-107.8	80.9	171.9	-60.6	-23.9	0	0	0	108.1	L44 L47 W52 R53	L44-H50 PolarHBondContact O-CE1 3.21Å; L47-H50 PolarHBondContact O-CE1 2.68Å; H50-W52 HydrophobicContact CB-CD2 4.15Å; H50-W52 HydrophobicContact CB-CH2 4.45Å; H50-W52 HydrophobicContact CB-CZ2 3.84Å; H50-W52 AromaticContact CG-CE2 3.9Å; H50-W52 AromaticContact CG-CZ2 3.62Å; H50-W52 AromaticContact ND1-CH2 3.7Å; H50-W52 AromaticContact ND1-CZ2 3.34Å; H50-W52 VanDerWaalsContact ND1-CZ2 3.34Å; H50-W52 WeakPolarHBondContact ND1-CZ2 3.25Å; H50-W52 PolarHBondContact O-N 3.49Å; H50-R53 HydrophobicContact CB-CB 4.13Å; H50-R53 HydrophobicContact CB-CG 3.78Å; H50-R53 WeakPolarHBondContact O-CB 3.42Å; H50-R53 PolarHBondContact O-N 3.18Å
51	P	69.1	Low	67	Low	27 Å²	27	82.6 Å²	82.6	18%	0.175	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.1	-177.2	26.8	-36.9	0	0	0	112.9	E49 R53 A57 Y62	E49-P51 VanDerWaalsContact C-CD 3.41Å; E49-P51 WeakPolarHBondContact O-CD 3.47Å; P51-R53 VanDerWaalsContact C-N 3.34Å; P51-A57 VanDerWaalsContact O-CB 3.27Å; P51-A57 WeakPolarHBondContact O-CB 3.33Å; P51-Y62 HydrophobicContact CB-CE1 4.11Å; P51-Y62 HydrophobicContact CG-CD1 4.49Å; P51-Y62 HydrophobicContact CG-CE1 3.66Å
52	W	75.8	Confident	67.5	Low	21 Å²	21	79.4 Å²	79.4	8%	0.08	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.7	170.7	58.6	81.9	0	0	0	114.6	L44 L47 H50 L59 Y62 F63 E69	L44-W52 HydrophobicContact CD1-CZ2 4.45Å; L44-W52 HydrophobicContact CD2-CH2 4.29Å; L47-W52 HydrophobicContact CD2-CH2 4.3Å; H50-W52 HydrophobicContact CB-CD2 4.15Å; H50-W52 HydrophobicContact CB-CH2 4.45Å; H50-W52 HydrophobicContact CB-CZ2 3.84Å; H50-W52 AromaticContact CG-CE2 3.9Å; H50-W52 AromaticContact CG-CZ2 3.62Å; H50-W52 AromaticContact ND1-CH2 3.7Å; H50-W52 AromaticContact ND1-CZ2 3.34Å; H50-W52 VanDerWaalsContact ND1-CZ2 3.34Å; H50-W52 WeakPolarHBondContact ND1-CZ2 3.25Å; H50-W52 PolarHBondContact O-N 3.49Å; W52-L59 HydrophobicContact CB-CD2 4.31Å; W52-Y62 HydrophobicContact CB-CD1 4.22Å; W52-Y62 HydrophobicContact CB-CD2 3.57Å; W52-Y62 HydrophobicContact CB-CE2 4Å; W52-Y62 HydrophobicContact CB-CG 3.7Å; W52-Y62 AromaticContact CE3-CD1 3.81Å; W52-Y62 HydrophobicContact CE3-CD1 3.81Å; W52-Y62 HydrophobicContact CE3-CE1 4.37Å; W52-Y62 HydrophobicContact CE3-CG 4.22Å; W52-F63 HydrophobicContact CB-CE2 4.3Å; W52-F63 AromaticContact CD1-CE2 3.89Å; W52-F63 AromaticContact CD2-CE2 4Å; W52-F63 HydrophobicContact CD2-CE2 4Å; W52-F63 HydrophobicContact CD2-CZ 4.26Å; W52-F63 AromaticContact CG-CE2 3.82Å; W52-F63 HydrophobicContact CG-CE2 3.82Å; W52-F63 HydrophobicContact CG-CZ 4.48Å; W52-E69 PolarHBondContact NE1-OE2 2.79Å
53	R	75.9	Confident	68.1	Low	162 Å²	162	78 Å²	78	61%	0.611	42%	0.424	S	S	*	.	S	Bend	trans	-91.8	-6.8	174.3	-67.5	-171.4	177.1	-144.2	5.3	113	H50 P51 E69	H50-R53 HydrophobicContact CB-CB 4.13Å; H50-R53 HydrophobicContact CB-CG 3.78Å; H50-R53 WeakPolarHBondContact O-CB 3.42Å; H50-R53 PolarHBondContact O-N 3.18Å; P51-R53 VanDerWaalsContact C-N 3.34Å; R53-E69 IonicContact CZ-OE1 3.05Å; R53-E69 IonicContact CZ-OE2 2.79Å; R53-E69 IonicContact NE-OE1 2.66Å; R53-E69 IonicContact NE-OE2 3.75Å; R53-E69 PolarHBondContact NE-OE2 2.9Å; R53-E69 IonicContact NH2-OE1 3.49Å; R53-E69 PolarHBondContact NH2-OE1 3.25Å; R53-E69 IonicContact NH2-OE2 2.74Å; R53-E69 PolarHBondContact NH2-OE2 2.8Å
54	E	74.5	Confident	68.5	Low	111 Å²	111	77.8 Å²	77.8	52%	0.519	42%	0.422	S	S	.	.	S	Bend	trans	-66.3	139.6	177.2	-70.7	-62.4	137.2	0	0	111.5	G56 A57	E54-G56 PolarHBondContact O-N 2.97Å; E54-G56 VanDerWaalsContact O-N 3.11Å; E54-A57 HydrophobicContact CB-CB 4.35Å; E54-A57 VanDerWaalsContact O-CB 3.26Å; E54-A57 WeakPolarHBondContact O-CB 3.4Å; E54-A57 PolarHBondContact O-N 3.5Å
55	P	73.3	Confident	69	Low	125 Å²	125	84.3 Å²	84.3	81%	0.812	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	116.8	178.1	25.9	-32.8	0	0	0	110.4
56	G	77.8	Confident	69.7	Low	86 Å²	86	84.1 Å²	84.1	89%	0.887	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	-2.9	-175.7	0	0	0	0	0	114.5	E54	E54-G56 PolarHBondContact O-N 2.97Å; E54-G56 VanDerWaalsContact O-N 3.11Å
57	A	73.1	Confident	70.5	Confident	35 Å²	35	80.1 Å²	80.1	29%	0.289	44%	0.438	S	S	.	.			trans	-72.4	131.1	168.1	0	0	0	0	0	110.5	P51 E54 Y62	P51-A57 VanDerWaalsContact O-CB 3.27Å; P51-A57 WeakPolarHBondContact O-CB 3.33Å; E54-A57 HydrophobicContact CB-CB 4.35Å; E54-A57 VanDerWaalsContact O-CB 3.26Å; E54-A57 WeakPolarHBondContact O-CB 3.4Å; E54-A57 PolarHBondContact O-N 3.5Å; A57-Y62 HydrophobicContact CB-CE2 4.31Å
58	D	75.6	Confident	71.4	Confident	85 Å²	85	79.3 Å²	79.3	46%	0.455	44%	0.436	S	S	.	.			trans	-89.2	121.7	171.9	-171.8	-17.1	0	0	0	108.9	T60 D61 Y62	D58-T60 PolarHBondContact O-N 3.19Å; D58-T60 VanDerWaalsContact O-N 3.11Å; D58-T60 WeakPolarHBondContact OD1-CB 3.45Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.37Å; D58-T60 PolarHBondContact OD1-N 2.93Å; D58-T60 PolarHBondContact OD1-OG1 3.43Å; D58-T60 PolarHBondContact OD2-OG1 2.83Å; D58-D61 WeakPolarHBondContact O-CB 3.43Å; D58-D61 PolarHBondContact O-N 3.37Å; D58-Y62 WeakPolarHBondContact O-CD2 3.41Å
59	L	70.2	Confident	72.5	Confident	75 Å²	75	70.7 Å²	70.7	39%	0.393	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-54.9	-30.3	176	-69.2	171.2	0	0	0	111.8	W52 D61 Y62 F63 T68	W52-L59 HydrophobicContact CB-CD2 4.31Å; L59-D61 PolarHBondContact O-N 2.83Å; L59-Y62 PolarHBondContact O-N 3.28Å; L59-F63 HydrophobicContact CD2-CD2 4.2Å; L59-F63 HydrophobicContact CD2-CE2 4.31Å; L59-F63 PolarHBondContact O-N 3.11Å; L59-T68 HydrophobicContact CD1-CG2 4.38Å
60	T	75.4	Confident	73.4	Confident	88 Å²	88	71.8 Å²	71.8	54%	0.54	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-68.5	-14.6	179.6	70	0	0	0	0	113.8	D58 Y62	D58-T60 PolarHBondContact O-N 3.19Å; D58-T60 VanDerWaalsContact O-N 3.11Å; D58-T60 WeakPolarHBondContact OD1-CB 3.45Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.37Å; D58-T60 PolarHBondContact OD1-N 2.93Å; D58-T60 PolarHBondContact OD1-OG1 3.43Å; D58-T60 PolarHBondContact OD2-OG1 2.83Å; T60-Y62 VanDerWaalsContact C-N 3.33Å
61	D	72	Confident	73.6	Confident	74 Å²	74	73 Å²	73	40%	0.396	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-79.2	-17.5	171.9	-85.9	-29.6	0	0	0	113	D58 L59 R287	D58-D61 WeakPolarHBondContact O-CB 3.43Å; D58-D61 PolarHBondContact O-N 3.37Å; L59-D61 PolarHBondContact O-N 2.83Å; D61-R287 IonicContact OD1-NH2 2.67Å; D61-R287 PolarHBondContact OD1-NH2 3.25Å
62	Y	69	Low	73.9	Confident	44 Å²	44	71.7 Å²	71.7	17%	0.173	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-38	-175.3	-60.8	-89.7	0	0	0	113.2	P51 W52 A57 D58 L59 T60 F178	P51-Y62 HydrophobicContact CB-CE1 4.11Å; P51-Y62 HydrophobicContact CG-CD1 4.49Å; P51-Y62 HydrophobicContact CG-CE1 3.66Å; W52-Y62 HydrophobicContact CB-CD1 4.22Å; W52-Y62 HydrophobicContact CB-CD2 3.57Å; W52-Y62 HydrophobicContact CB-CE2 4Å; W52-Y62 HydrophobicContact CB-CG 3.7Å; W52-Y62 AromaticContact CE3-CD1 3.81Å; W52-Y62 HydrophobicContact CE3-CD1 3.81Å; W52-Y62 HydrophobicContact CE3-CE1 4.37Å; W52-Y62 HydrophobicContact CE3-CG 4.22Å; A57-Y62 HydrophobicContact CB-CE2 4.31Å; D58-Y62 WeakPolarHBondContact O-CD2 3.41Å; L59-Y62 PolarHBondContact O-N 3.28Å; T60-Y62 VanDerWaalsContact C-N 3.33Å; Y62-F178 HydrophobicContact CE1-CE2 4.04Å
63	F	71.6	Confident	74	Confident	5 Å²	5	72.8 Å²	72.8	2%	0.022	41%	0.409	C	S	.	.			trans	-120.7	133.9	-176.8	-60.7	-85.4	0	0	0	111.1	L44 W52 L59 F67 E69 W72 I175	L44-F63 HydrophobicContact CD1-CE1 3.84Å; L44-F63 HydrophobicContact CD1-CZ 3.98Å; W52-F63 HydrophobicContact CB-CE2 4.3Å; W52-F63 AromaticContact CD1-CE2 3.89Å; W52-F63 AromaticContact CD2-CE2 4Å; W52-F63 HydrophobicContact CD2-CE2 4Å; W52-F63 HydrophobicContact CD2-CZ 4.26Å; W52-F63 AromaticContact CG-CE2 3.82Å; W52-F63 HydrophobicContact CG-CE2 3.82Å; W52-F63 HydrophobicContact CG-CZ 4.48Å; L59-F63 HydrophobicContact CD2-CD2 4.2Å; L59-F63 HydrophobicContact CD2-CE2 4.31Å; L59-F63 PolarHBondContact O-N 3.11Å; F63-F67 HydrophobicContact CB-CB 4.06Å; F63-F67 WeakPolarHBondContact CB-O 3.4Å; F63-F67 HydrophobicContact CD1-CB 4.25Å; F63-F67 WeakPolarHBondContact CG-O 3.49Å; F63-E69 HydrophobicContact CZ-CB 4.04Å; F63-W72 HydrophobicContact CD1-CB 4.2Å; F63-W72 HydrophobicContact CE1-CB 3.84Å; F63-W72 HydrophobicContact CE1-CG 4.13Å; F63-I175 HydrophobicContact CE1-CD1 4.37Å
64	N	67.5	Low	74	Confident	58 Å²	58	67.6 Å²	67.6	31%	0.31	40%	0.401	S	S	.	.	S	Bend	trans	-94	168.4	175.4	-75	-16.5	0	0	0	111.5	G66 F67 F174	N64-G66 PolarHBondContact O-N 2.9Å; N64-F67 WeakPolarHBondContact O-CB 3.32Å; N64-F67 VanDerWaalsContact O-CD2 3.3Å; N64-F67 WeakPolarHBondContact O-CD2 3.45Å; N64-F67 PolarHBondContact O-N 3.31Å; N64-F174 VanDerWaalsContact ND2-CB 3.34Å; N64-F174 WeakPolarHBondContact ND2-CB 3.35Å; N64-F174 WeakPolarHBondContact ND2-CD2 3.49Å; N64-F174 WeakPolarHBondContact ND2-CG 3.47Å
65	Y	70.5	Confident	74	Confident	137 Å²	137	63.9 Å²	63.9	54%	0.537	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	19.8	174.2	-45.8	-83.2	0	0	0	116	F67 V171 P172	Y65-F67 HydrophobicContact CD2-CD2 4.49Å; Y65-F67 PolarHBondContact O-N 2.67Å; Y65-V171 HydrophobicContact CD1-CG1 4.15Å; Y65-V171 HydrophobicContact CD2-CG1 4.49Å; Y65-V171 HydrophobicContact CE1-CG1 3.69Å; Y65-V171 HydrophobicContact CE2-CG1 4.12Å; Y65-P172 WeakPolarHBondContact CE2-O 3.1Å; Y65-P172 PolarHBondContact OH-O 3.04Å
66	G	73.4	Confident	74	Confident	72 Å²	72	58.2 Å²	58.2	74%	0.742	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	16.6	-175.8	0	0	0	0	0	113.5	N64 T68	N64-G66 PolarHBondContact O-N 2.9Å; G66-T68 PolarHBondContact O-N 3.32Å
67	F	70.8	Confident	73.9	Confident	41 Å²	41	60.8 Å²	60.8	18%	0.18	34%	0.335	C	S	.	.			trans	-61.5	136.7	167.5	-82.7	-83.1	0	0	0	109.6	F63 N64 Y65 T71 W72 Y75 V173	F63-F67 HydrophobicContact CB-CB 4.06Å; F63-F67 WeakPolarHBondContact CB-O 3.4Å; F63-F67 HydrophobicContact CD1-CB 4.25Å; F63-F67 WeakPolarHBondContact CG-O 3.49Å; N64-F67 WeakPolarHBondContact O-CB 3.32Å; N64-F67 VanDerWaalsContact O-CD2 3.3Å; N64-F67 WeakPolarHBondContact O-CD2 3.45Å; N64-F67 PolarHBondContact O-N 3.31Å; Y65-F67 HydrophobicContact CD2-CD2 4.49Å; Y65-F67 PolarHBondContact O-N 2.67Å; F67-T71 WeakPolarHBondContact CA-OG1 3.46Å; F67-T71 VanDerWaalsContact CD1-OG1 3.24Å; F67-T71 WeakPolarHBondContact CD1-OG1 3.27Å; F67-T71 WeakPolarHBondContact CE1-O 3.34Å; F67-W72 HydrophobicContact CD1-CB 4.46Å; F67-Y75 HydrophobicContact CE1-CG 4.3Å; F67-Y75 HydrophobicContact CZ-CD2 4.36Å; F67-Y75 HydrophobicContact CZ-CG 4.29Å; F67-V173 HydrophobicContact CD2-CG1 4.23Å; F67-V173 HydrophobicContact CD2-CG2 3.96Å; F67-V173 HydrophobicContact CE2-CG2 3.58Å; F67-V173 HydrophobicContact CZ-CG2 4.16Å
68	T	78.7	Confident	73.9	Confident	47 Å²	47	65.1 Å²	65.1	29%	0.288	34%	0.344	S	S	.	.			trans	-103	170.4	159.9	64.4	0	0	0	0	109.2	L59 G66 E70 T71 W72	L59-T68 HydrophobicContact CD1-CG2 4.38Å; G66-T68 PolarHBondContact O-N 3.32Å; T68-E70 PolarHBondContact O-N 3.12Å; T68-T71 PolarHBondContact N-OG1 2.9Å; T68-T71 PolarHBondContact O-N 3.24Å; T68-T71 PolarHBondContact O-OG1 3.14Å; T68-T71 PolarHBondContact OG1-N 2.67Å; T68-T71 PolarHBondContact OG1-OG1 2.73Å; T68-W72 WeakPolarHBondContact O-CB 3.48Å; T68-W72 PolarHBondContact O-N 3.29Å
69	E	77.3	Confident	73.5	Confident	19 Å²	19	61.7 Å²	61.7	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-50.1	-44.2	173.4	-167.6	-175	138.4	0	0	112.6	L44 W52 R53 F63 W72 N73	L44-E69 HydrophobicContact CB-CG 4.48Å; L44-E69 HydrophobicContact CD1-CG 4.18Å; W52-E69 PolarHBondContact NE1-OE2 2.79Å; R53-E69 IonicContact CZ-OE1 3.05Å; R53-E69 IonicContact CZ-OE2 2.79Å; R53-E69 IonicContact NE-OE1 2.66Å; R53-E69 IonicContact NE-OE2 3.75Å; R53-E69 PolarHBondContact NE-OE2 2.9Å; R53-E69 IonicContact NH2-OE1 3.49Å; R53-E69 PolarHBondContact NH2-OE1 3.25Å; R53-E69 IonicContact NH2-OE2 2.74Å; R53-E69 PolarHBondContact NH2-OE2 2.8Å; F63-E69 HydrophobicContact CZ-CB 4.04Å; E69-W72 PolarHBondContact O-N 2.87Å; E69-N73 PolarHBondContact O-N 2.97Å
70	E	76.3	Confident	73.5	Confident	160 Å²	160	63.9 Å²	63.9	75%	0.748	33%	0.328	S	S	*	.	H	α-helix	trans	-62.9	-49.4	178.7	-62.1	-179.2	167.2	0	0	112.2	T68 W72 N73 A74	T68-E70 PolarHBondContact O-N 3.12Å; E70-W72 VanDerWaalsContact C-N 3.27Å; E70-W72 PolarHBondContact O-N 3.46Å; E70-N73 PolarHBondContact O-N 3.15Å; E70-A74 PolarHBondContact O-N 3.47Å; E70-A74 VanDerWaalsContact O-N 3.11Å
71	T	77	Confident	73.2	Confident	60 Å²	60	67.5 Å²	67.5	37%	0.368	33%	0.332	S	S	.	.	H	α-helix	trans	-69.1	-29.2	-178.9	57.6	0	0	0	0	112.2	F67 T68 Y75	F67-T71 WeakPolarHBondContact CA-OG1 3.46Å; F67-T71 VanDerWaalsContact CD1-OG1 3.24Å; F67-T71 WeakPolarHBondContact CD1-OG1 3.27Å; F67-T71 WeakPolarHBondContact CE1-O 3.34Å; T68-T71 PolarHBondContact N-OG1 2.9Å; T68-T71 PolarHBondContact O-N 3.24Å; T68-T71 PolarHBondContact O-OG1 3.14Å; T68-T71 PolarHBondContact OG1-N 2.67Å; T68-T71 PolarHBondContact OG1-OG1 2.73Å; T71-Y75 WeakPolarHBondContact O-CB 3.39Å; T71-Y75 PolarHBondContact O-N 3.13Å
72	W	76.4	Confident	73	Confident	1 Å²	1	67.1 Å²	67.1	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-67.9	-45.9	174.7	173.1	-95.3	0	0	0	111.1	L44 F63 F67 T68 E69 E70 A74 Y75 C76 V173 I175 I298	L44-W72 HydrophobicContact CD1-CB 4.3Å; L44-W72 HydrophobicContact CD1-CG 3.81Å; L44-W72 VanDerWaalsContact CG-CD1 3.48Å; F63-W72 HydrophobicContact CD1-CB 4.2Å; F63-W72 HydrophobicContact CE1-CB 3.84Å; F63-W72 HydrophobicContact CE1-CG 4.13Å; F67-W72 HydrophobicContact CD1-CB 4.46Å; T68-W72 WeakPolarHBondContact O-CB 3.48Å; T68-W72 PolarHBondContact O-N 3.29Å; E69-W72 PolarHBondContact O-N 2.87Å; E70-W72 VanDerWaalsContact C-N 3.27Å; E70-W72 PolarHBondContact O-N 3.46Å; W72-A74 VanDerWaalsContact C-N 3.32Å; W72-A74 PolarHBondContact O-N 3.41Å; W72-Y75 HydrophobicContact CE3-CD1 4.03Å; W72-Y75 HydrophobicContact CH2-CD1 4.4Å; W72-Y75 AromaticContact CZ3-CD1 3.66Å; W72-Y75 HydrophobicContact CZ3-CD1 3.66Å; W72-Y75 AromaticContact CZ3-CE1 4Å; W72-Y75 HydrophobicContact CZ3-CE1 4Å; W72-Y75 CarbonylContact O-C 3.51Å; W72-Y75 WeakPolarHBondContact O-CA 3.28Å; W72-Y75 WeakPolarHBondContact O-CB 3.43Å; W72-Y75 PolarHBondContact O-N 3.38Å; W72-C76 VanDerWaalsContact CZ2-SG 3.53Å; W72-C76 PolarHBondContact NE1-SG 3.08Å; W72-C76 PolarHBondContact O-N 3.17Å; W72-V173 HydrophobicContact CE3-CB 4.06Å; W72-V173 HydrophobicContact CE3-CG1 3.52Å; W72-V173 HydrophobicContact CE3-CG2 4.28Å; W72-V173 HydrophobicContact CH2-CB 4.1Å; W72-V173 HydrophobicContact CH2-CG1 4.13Å; W72-V173 HydrophobicContact CZ3-CB 3.31Å; W72-V173 HydrophobicContact CZ3-CG1 3.24Å; W72-V173 HydrophobicContact CZ3-CG2 3.72Å; W72-I175 HydrophobicContact CD2-CD1 3.55Å; W72-I175 HydrophobicContact CD2-CG1 4.31Å; W72-I175 HydrophobicContact CE3-CD1 4.28Å; W72-I175 HydrophobicContact CG-CD1 3.96Å; W72-I175 HydrophobicContact CH2-CD1 4.1Å; W72-I175 HydrophobicContact CH2-CG1 4.19Å; W72-I175 HydrophobicContact CZ2-CD1 3.33Å; W72-I175 HydrophobicContact CZ2-CG1 3.86Å; W72-I175 VanDerWaalsContact NE1-CD1 3.26Å; W72-I298 HydrophobicContact CH2-CD1 3.62Å; W72-I298 HydrophobicContact CZ3-CD1 4.08Å
73	N	77.4	Confident	72.7	Confident	43 Å²	43	69.8 Å²	69.8	23%	0.23	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-44.4	176.9	-72.9	-13.4	0	0	0	111.3	E69 E70 Y75 C76 E77	E69-N73 PolarHBondContact O-N 2.97Å; E70-N73 PolarHBondContact O-N 3.15Å; N73-Y75 VanDerWaalsContact C-N 3.27Å; N73-Y75 PolarHBondContact O-N 3.16Å; N73-C76 PolarHBondContact O-N 2.73Å; N73-E77 PolarHBondContact O-N 2.89Å
74	A	77.3	Confident	72.5	Confident	54 Å²	54	73 Å²	73	45%	0.446	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-35	174.6	0	0	0	0	0	112.8	E70 W72 R78	E70-A74 PolarHBondContact O-N 3.47Å; E70-A74 VanDerWaalsContact O-N 3.11Å; W72-A74 VanDerWaalsContact C-N 3.32Å; W72-A74 PolarHBondContact O-N 3.41Å; A74-R78 WeakPolarHBondContact O-CB 3.38Å; A74-R78 PolarHBondContact O-N 2.66Å; A74-R78 VanDerWaalsContact O-N 3.09Å
75	Y	73.2	Confident	72.1	Confident	33 Å²	33	73.5 Å²	73.5	13%	0.129	36%	0.363	C	S	.	.	H	α-helix	trans	-69.5	-43.6	174.5	177.3	-102.9	0	0	0	112.2	F67 T71 W72 N73 R78 Q79 V173 I298	F67-Y75 HydrophobicContact CE1-CG 4.3Å; F67-Y75 HydrophobicContact CZ-CD2 4.36Å; F67-Y75 HydrophobicContact CZ-CG 4.29Å; T71-Y75 WeakPolarHBondContact O-CB 3.39Å; T71-Y75 PolarHBondContact O-N 3.13Å; W72-Y75 HydrophobicContact CE3-CD1 4.03Å; W72-Y75 HydrophobicContact CH2-CD1 4.4Å; W72-Y75 AromaticContact CZ3-CD1 3.66Å; W72-Y75 HydrophobicContact CZ3-CD1 3.66Å; W72-Y75 AromaticContact CZ3-CE1 4Å; W72-Y75 HydrophobicContact CZ3-CE1 4Å; W72-Y75 CarbonylContact O-C 3.51Å; W72-Y75 WeakPolarHBondContact O-CA 3.28Å; W72-Y75 WeakPolarHBondContact O-CB 3.43Å; W72-Y75 PolarHBondContact O-N 3.38Å; N73-Y75 VanDerWaalsContact C-N 3.27Å; N73-Y75 PolarHBondContact O-N 3.16Å; Y75-R78 PolarHBondContact O-N 3.26Å; Y75-Q79 HydrophobicContact CD1-CG 4.12Å; Y75-Q79 HydrophobicContact CD2-CG 4.37Å; Y75-Q79 HydrophobicContact CE1-CG 3.67Å; Y75-Q79 HydrophobicContact CE2-CG 3.94Å; Y75-Q79 HydrophobicContact CG-CG 4.47Å; Y75-Q79 WeakPolarHBondContact O-CB 3.35Å; Y75-Q79 WeakPolarHBondContact O-CG 3.32Å; Y75-Q79 PolarHBondContact O-N 3.12Å; Y75-Q79 PolarHBondContact OH-NE2 3.35Å; Y75-V173 HydrophobicContact CD1-CG2 4.46Å; Y75-V173 HydrophobicContact CE1-CG2 4.16Å; Y75-I298 HydrophobicContact CE1-CD1 4.4Å
76	C	74.1	Confident	71.6	Confident	5 Å²	5	72 Å²	72	3%	0.034	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-44.7	175.5	-76.3	0	0	0	0	111.9	W72 N73 R78 Q79 R80	W72-C76 VanDerWaalsContact CZ2-SG 3.53Å; W72-C76 PolarHBondContact NE1-SG 3.08Å; W72-C76 PolarHBondContact O-N 3.17Å; N73-C76 PolarHBondContact O-N 2.73Å; C76-R78 VanDerWaalsContact C-N 3.34Å; C76-R78 PolarHBondContact O-N 3.11Å; C76-Q79 PolarHBondContact O-N 3.11Å; C76-R80 WeakPolarHBondContact O-CB 3.36Å; C76-R80 PolarHBondContact O-N 3Å
77	E	75.5	Confident	70.8	Confident	140 Å²	140	69 Å²	69	65%	0.654	33%	0.328	S	S	*	.	H	α-helix	trans	-60.8	-44.7	176	-170.3	-177.2	-170.9	0	0	111.3	N73 Q79 R80 R81	N73-E77 PolarHBondContact O-N 2.89Å; E77-Q79 PolarHBondContact O-N 3.22Å; E77-R80 PolarHBondContact O-N 3.09Å; E77-R81 WeakPolarHBondContact O-CB 3.48Å; E77-R81 PolarHBondContact O-N 3.22Å
78	R	73	Confident	70	Confident	127 Å²	127	72.2 Å²	72.2	48%	0.479	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-43.8	174.3	-174.2	-176.1	-62.9	-169.2	0.9	111.8	A74 Y75 C76 R81 L82	A74-R78 WeakPolarHBondContact O-CB 3.38Å; A74-R78 PolarHBondContact O-N 2.66Å; A74-R78 VanDerWaalsContact O-N 3.09Å; Y75-R78 PolarHBondContact O-N 3.26Å; C76-R78 VanDerWaalsContact C-N 3.34Å; C76-R78 PolarHBondContact O-N 3.11Å; R78-R81 PolarHBondContact O-N 2.82Å; R78-L82 HydrophobicContact CG-CD1 4.05Å; R78-L82 HydrophobicContact CG-CG 4.4Å; R78-L82 WeakPolarHBondContact O-CB 3.28Å; R78-L82 VanDerWaalsContact O-CG 3.28Å; R78-L82 WeakPolarHBondContact O-CG 3.26Å; R78-L82 PolarHBondContact O-N 2.69Å
79	Q	67.8	Low	68.7	Low	13 Å²	13	75.8 Å²	75.8	6%	0.061	37%	0.367	C	S	.	.	H	α-helix	trans	-66	-39	178.5	-78.5	-66.8	-23.7	0	0	112	Y40 Y75 C76 E77 L82 R83	Y40-Q79 HydrophobicContact CD1-CB 3.51Å; Y40-Q79 HydrophobicContact CD1-CG 3.97Å; Y40-Q79 HydrophobicContact CE1-CB 3.91Å; Y40-Q79 HydrophobicContact CE1-CG 3.9Å; Y40-Q79 HydrophobicContact CG-CB 4.12Å; Y75-Q79 HydrophobicContact CD1-CG 4.12Å; Y75-Q79 HydrophobicContact CD2-CG 4.37Å; Y75-Q79 HydrophobicContact CE1-CG 3.67Å; Y75-Q79 HydrophobicContact CE2-CG 3.94Å; Y75-Q79 HydrophobicContact CG-CG 4.47Å; Y75-Q79 WeakPolarHBondContact O-CB 3.35Å; Y75-Q79 WeakPolarHBondContact O-CG 3.32Å; Y75-Q79 PolarHBondContact O-N 3.12Å; Y75-Q79 PolarHBondContact OH-NE2 3.35Å; C76-Q79 PolarHBondContact O-N 3.11Å; E77-Q79 PolarHBondContact O-N 3.22Å; Q79-L82 PolarHBondContact O-N 2.78Å; Q79-R83 WeakPolarHBondContact O-CB 3.39Å; Q79-R83 WeakPolarHBondContact O-CG 3.44Å; Q79-R83 PolarHBondContact O-N 2.76Å
80	R	68.6	Low	67.8	Low	121 Å²	121	76.9 Å²	76.9	46%	0.457	37%	0.373	S	S	.	.	H	α-helix	trans	-60.1	-50.4	173	-172.3	-175.8	-58.1	-179.9	3.8	110.2	Y40 C76 E77 L82 R83 S84	Y40-R80 PolarHBondContact O-NH2 3.39Å; C76-R80 WeakPolarHBondContact O-CB 3.36Å; C76-R80 PolarHBondContact O-N 3Å; E77-R80 PolarHBondContact O-N 3.09Å; R80-L82 PolarHBondContact O-N 2.92Å; R80-R83 PolarHBondContact O-N 3.49Å; R80-S84 WeakPolarHBondContact O-CB 3.46Å; R80-S84 PolarHBondContact O-N 2.86Å; R80-S84 PolarHBondContact O-OG 2.85Å; R80-S84 VanDerWaalsContact O-OG 3.06Å
81	R	69.8	Low	66.7	Low	164 Å²	164	70.7 Å²	70.7	62%	0.619	35%	0.349	S	S	*	.	H	α-helix	trans	-58.2	-47.8	176.3	-176	176.1	178.3	171.8	3	112.1	E77 R78 R83 S84 E85	E77-R81 WeakPolarHBondContact O-CB 3.48Å; E77-R81 PolarHBondContact O-N 3.22Å; R78-R81 PolarHBondContact O-N 2.82Å; R81-R83 VanDerWaalsContact C-N 3.33Å; R81-R83 PolarHBondContact O-N 3.26Å; R81-S84 PolarHBondContact O-N 2.92Å; R81-E85 HydrophobicContact CG-CG 4.26Å; R81-E85 WeakPolarHBondContact CG-OE1 3.29Å; R81-E85 IonicContact CZ-OE1 3.06Å; R81-E85 IonicContact NE-OE1 3.33Å; R81-E85 PolarHBondContact NE-OE1 2.94Å; R81-E85 IonicContact NE-OE2 3.6Å; R81-E85 IonicContact NH2-OE1 3.73Å; R81-E85 PolarHBondContact NH2-OE1 3.48Å; R81-E85 VanDerWaalsContact O-CB 3.26Å; R81-E85 WeakPolarHBondContact O-CB 3.23Å; R81-E85 VanDerWaalsContact O-CG 3.3Å; R81-E85 WeakPolarHBondContact O-CG 3.48Å; R81-E85 PolarHBondContact O-N 3.23Å
82	L	67.3	Low	65.5	Low	66 Å²	66	72.6 Å²	72.6	35%	0.346	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-37.7	177.9	-73.6	172.8	0	0	0	112	R78 Q79 R80 F86	R78-L82 HydrophobicContact CG-CD1 4.05Å; R78-L82 HydrophobicContact CG-CG 4.4Å; R78-L82 WeakPolarHBondContact O-CB 3.28Å; R78-L82 VanDerWaalsContact O-CG 3.28Å; R78-L82 WeakPolarHBondContact O-CG 3.26Å; R78-L82 PolarHBondContact O-N 2.69Å; Q79-L82 PolarHBondContact O-N 2.78Å; R80-L82 PolarHBondContact O-N 2.92Å; L82-F86 HydrophobicContact CB-CD2 4.47Å; L82-F86 HydrophobicContact CD2-CD2 3.75Å; L82-F86 HydrophobicContact CD2-CE2 3.65Å; L82-F86 VanDerWaalsContact O-CA 3.32Å; L82-F86 WeakPolarHBondContact O-CA 3.32Å; L82-F86 WeakPolarHBondContact O-CB 3.29Å; L82-F86 WeakPolarHBondContact O-CD2 3.36Å; L82-F86 PolarHBondContact O-N 3.08Å
83	R	62.6	Low	64.5	Low	99 Å²	99	80.1 Å²	80.1	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-74	-31.8	177.2	-76.8	-175.7	144.9	88	2.8	113.1	Y40 Q79 R80 R81 G87	Y40-R83 VanDerWaalsContact CE2-CZ 3.42Å; Y40-R83 PolarHBondContact OH-NH1 2.88Å; Q79-R83 WeakPolarHBondContact O-CB 3.39Å; Q79-R83 WeakPolarHBondContact O-CG 3.44Å; Q79-R83 PolarHBondContact O-N 2.76Å; R80-R83 PolarHBondContact O-N 3.49Å; R81-R83 VanDerWaalsContact C-N 3.33Å; R81-R83 PolarHBondContact O-N 3.26Å; R83-G87 WeakPolarHBondContact O-CA 3.48Å; R83-G87 PolarHBondContact O-N 2.6Å
84	S	67	Low	63.4	Low	74 Å²	74	82 Å²	82	52%	0.517	39%	0.394	S	S	.	.	H	α-helix	trans	-73.3	-37.6	171.9	-58.7	0	0	0	0	112.2	R80 R81 N90	R80-S84 WeakPolarHBondContact O-CB 3.46Å; R80-S84 PolarHBondContact O-N 2.86Å; R80-S84 PolarHBondContact O-OG 2.85Å; R80-S84 VanDerWaalsContact O-OG 3.06Å; R81-S84 PolarHBondContact O-N 2.92Å; S84-N90 PolarHBondContact O-ND2 3.32Å
85	E	60.7	Low	62.3	Low	67 Å²	67	87 Å²	87	31%	0.313	41%	0.406	S	S	.	.	H	α-helix	trans	-83.1	-28.5	-179.7	-70.7	177.4	-178.4	0	0	113.3	R81 N90	R81-E85 HydrophobicContact CG-CG 4.26Å; R81-E85 WeakPolarHBondContact CG-OE1 3.29Å; R81-E85 IonicContact CZ-OE1 3.06Å; R81-E85 IonicContact NE-OE1 3.33Å; R81-E85 PolarHBondContact NE-OE1 2.94Å; R81-E85 IonicContact NE-OE2 3.6Å; R81-E85 IonicContact NH2-OE1 3.73Å; R81-E85 PolarHBondContact NH2-OE1 3.48Å; R81-E85 VanDerWaalsContact O-CB 3.26Å; R81-E85 WeakPolarHBondContact O-CB 3.23Å; R81-E85 VanDerWaalsContact O-CG 3.3Å; R81-E85 WeakPolarHBondContact O-CG 3.48Å; R81-E85 PolarHBondContact O-N 3.23Å; E85-N90 WeakPolarHBondContact O-CB 3.2Å
86	F	58.9	Low	61.3	Low	106 Å²	106	91.1 Å²	91.1	47%	0.465	42%	0.424	S	S	.	.	H	α-helix	trans	-125.7	19.9	-176.7	-58.3	-89.3	0	0	0	113.3	L82 M94	L82-F86 HydrophobicContact CB-CD2 4.47Å; L82-F86 HydrophobicContact CD2-CD2 3.75Å; L82-F86 HydrophobicContact CD2-CE2 3.65Å; L82-F86 VanDerWaalsContact O-CA 3.32Å; L82-F86 WeakPolarHBondContact O-CA 3.32Å; L82-F86 WeakPolarHBondContact O-CB 3.29Å; L82-F86 WeakPolarHBondContact O-CD2 3.36Å; L82-F86 PolarHBondContact O-N 3.08Å; F86-M94 HydrophobicContact CD1-CG 4.34Å; F86-M94 HydrophobicContact CE1-CB 4.47Å; F86-M94 HydrophobicContact CE1-CG 4.16Å
87	G	57.2	Low	60.6	Low	8 Å²	8	96.1 Å²	96.1	8%	0.082	45%	0.451	C	S	.	.	S	Bend	trans	-52	159.6	168.5	0	0	0	0	0	111.4	R83 E89 N90 A91	R83-G87 WeakPolarHBondContact O-CA 3.48Å; R83-G87 PolarHBondContact O-N 2.6Å; G87-E89 PolarHBondContact O-N 3.37Å; G87-N90 PolarHBondContact O-N 3.04Å; G87-A91 PolarHBondContact O-N 2.81Å
88	P	54.8	Low	59.7	Low	109 Å²	109	93.1 Å²	93.1	71%	0.708	45%	0.45	S	S	*	.	H	α-helix	trans	-53.3	-27.3	-175.8	22.5	-32.9	0	0	0	112.9	N92	P88-N92 PolarHBondContact O-ND2 2.9Å
89	E	51.4	Low	58.8	Low	123 Å²	123	92.2 Å²	92.2	58%	0.575	45%	0.454	S	S	*	.	H	α-helix	trans	-71.8	-37.6	172.4	69.9	-77.7	177.3	0	0	114.2	G87	G87-E89 PolarHBondContact O-N 3.37Å
90	N	57.9	Low	58.1	Low	42 Å²	42	95.7 Å²	95.7	23%	0.225	48%	0.477	C	S	.	.	H	α-helix	trans	-97.8	-21.4	-172.9	-83.5	-22.3	0	0	0	114.2	S84 E85 G87 N92 R93 M94	S84-N90 PolarHBondContact O-ND2 3.32Å; E85-N90 WeakPolarHBondContact O-CB 3.2Å; G87-N90 PolarHBondContact O-N 3.04Å; N90-N92 PolarHBondContact O-N 3.13Å; N90-R93 CarbonylContact O-C 3.51Å; N90-R93 WeakPolarHBondContact O-CA 3.27Å; N90-R93 WeakPolarHBondContact O-CB 3.34Å; N90-R93 PolarHBondContact O-N 2.79Å; N90-M94 WeakPolarHBondContact O-CG 3.12Å; N90-M94 PolarHBondContact O-N 3.36Å
91	A	53	Low	57.4	Low	29 Å²	29	94.8 Å²	94.8	24%	0.24	49%	0.489	C	S	.	.	H	α-helix	trans	-55.8	-44.2	170.4	0	0	0	0	0	110.3	G87 R93 M94 F95	G87-A91 PolarHBondContact O-N 2.81Å; A91-R93 PolarHBondContact O-N 3.24Å; A91-M94 PolarHBondContact O-N 2.83Å; A91-F95 VanDerWaalsContact O-CD2 3.24Å; A91-F95 WeakPolarHBondContact O-CD2 3.2Å; A91-F95 PolarHBondContact O-N 2.88Å
92	N	50.7	Low	56.6	Low	100 Å²	100	95.2 Å²	95.2	54%	0.535	50%	0.498	S	S	.	.	H	α-helix	trans	-58.8	-47.2	172.6	-69.9	-37.9	0	0	0	111.2	P88 N90 M94 F95 F96	P88-N92 PolarHBondContact O-ND2 2.9Å; N90-N92 PolarHBondContact O-N 3.13Å; N92-M94 VanDerWaalsContact C-N 3.34Å; N92-M94 PolarHBondContact O-N 3.11Å; N92-F95 PolarHBondContact O-N 2.89Å; N92-F96 WeakPolarHBondContact O-CB 2.97Å; N92-F96 WeakPolarHBondContact O-CD2 3.48Å; N92-F96 PolarHBondContact O-N 3.05Å
93	R	55.8	Low	55.6	Low	159 Å²	159	101.9 Å²	101.9	60%	0.6	52%	0.52	S	S	*	.	H	α-helix	trans	-59.6	-39.2	176	-98.2	-173.5	83.5	-178.4	6.5	113.6	N90 A91 F96 N97	N90-R93 CarbonylContact O-C 3.51Å; N90-R93 WeakPolarHBondContact O-CA 3.27Å; N90-R93 WeakPolarHBondContact O-CB 3.34Å; N90-R93 PolarHBondContact O-N 2.79Å; A91-R93 PolarHBondContact O-N 3.24Å; R93-F96 PolarHBondContact O-N 3.4Å; R93-N97 VanDerWaalsContact O-CB 3.25Å; R93-N97 WeakPolarHBondContact O-CB 3.15Å; R93-N97 VanDerWaalsContact O-CG 3.22Å; R93-N97 PolarHBondContact O-N 3.11Å
94	M	54.4	Low	54.6	Low	83 Å²	83	100.7 Å²	100.7	41%	0.409	54%	0.538	S	S	.	.	H	α-helix	trans	-70.7	-38.5	179.7	-67.9	-61.2	171.8	0	0	111.7	F86 N90 A91 N92 A98	F86-M94 HydrophobicContact CD1-CG 4.34Å; F86-M94 HydrophobicContact CE1-CB 4.47Å; F86-M94 HydrophobicContact CE1-CG 4.16Å; N90-M94 WeakPolarHBondContact O-CG 3.12Å; N90-M94 PolarHBondContact O-N 3.36Å; A91-M94 PolarHBondContact O-N 2.83Å; N92-M94 VanDerWaalsContact C-N 3.34Å; N92-M94 PolarHBondContact O-N 3.11Å; M94-A98 VanDerWaalsContact O-CB 3.27Å; M94-A98 WeakPolarHBondContact O-CB 3.23Å; M94-A98 PolarHBondContact O-N 2.93Å
95	F	54.6	Low	53.5	Low	159 Å²	159	100.3 Å²	100.3	70%	0.697	54%	0.54	S	S	*	.	H	α-helix	trans	-63.4	-43.2	170.4	-85.8	-76.7	0	0	0	112	A91 N92 A98 I99	A91-F95 VanDerWaalsContact O-CD2 3.24Å; A91-F95 WeakPolarHBondContact O-CD2 3.2Å; A91-F95 PolarHBondContact O-N 2.88Å; N92-F95 PolarHBondContact O-N 2.89Å; F95-A98 PolarHBondContact O-N 3Å; F95-I99 WeakPolarHBondContact O-CG1 3.48Å
96	F	52.9	Low	52.8	Low	119 Å²	119	103.7 Å²	103.7	52%	0.522	57%	0.568	S	S	.	*	H	α-helix	trans	-71	-29.3	178.6	-83.4	-75.1	0	0	0	113.7	N92 R93 I99	N92-F96 WeakPolarHBondContact O-CB 2.97Å; N92-F96 WeakPolarHBondContact O-CD2 3.48Å; N92-F96 PolarHBondContact O-N 3.05Å; R93-F96 PolarHBondContact O-N 3.4Å; F96-I99 HydrophobicContact CD1-CD1 4.34Å
97	N	58.2	Low	52.3	Low	110 Å²	110	102.4 Å²	102.4	59%	0.588	59%	0.585	S	S	*	*	H	α-helix	trans	-81.6	-23.7	176	-77.7	-12.6	0	0	0	113.5	R93 I99	R93-N97 VanDerWaalsContact O-CB 3.25Å; R93-N97 WeakPolarHBondContact O-CB 3.15Å; R93-N97 VanDerWaalsContact O-CG 3.22Å; R93-N97 PolarHBondContact O-N 3.11Å; N97-I99 VanDerWaalsContact C-N 3.28Å
98	A	57.8	Low	51.9	Low	78 Å²	78	108 Å²	108	65%	0.645	61%	0.607	S	S	*	*	S	Bend	trans	-80.6	-6.8	176.8	0	0	0	0	0	113.2	M94 F95 P100	M94-A98 VanDerWaalsContact O-CB 3.27Å; M94-A98 WeakPolarHBondContact O-CB 3.23Å; M94-A98 PolarHBondContact O-N 2.93Å; F95-A98 PolarHBondContact O-N 3Å; A98-P100 WeakPolarHBondContact O-CD 3.25Å
99	I	54.3	Low	51.9	Low	107 Å²	107	106.1 Å²	106.1	55%	0.549	59%	0.591	S	S	.	*	S	Bend	trans	-75.7	111.3	171.1	-61.2	169	0	0	0	107.5	F95 F96 N97 S101	F95-I99 WeakPolarHBondContact O-CG1 3.48Å; F96-I99 HydrophobicContact CD1-CD1 4.34Å; N97-I99 VanDerWaalsContact C-N 3.28Å; I99-S101 PolarHBondContact O-N 3.23Å
100	P	52.1	Low	52.2	Low	86 Å²	86	109.9 Å²	109.9	56%	0.558	60%	0.6	S	S	*	*			trans	-60	129.6	175.9	-17.9	32	0	0	0	108.7	A98 H102	A98-P100 WeakPolarHBondContact O-CD 3.25Å; P100-H102 HydrophobicContact CB-CB 4.43Å; P100-H102 PolarHBondContact O-N 3.05Å
101	S	53.7	Low	52.1	Low	102 Å²	102	115 Å²	115	71%	0.713	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	11.8	174.7	-168.7	0	0	0	0	114	I99	I99-S101 PolarHBondContact O-N 3.23Å
102	H	54	Low	52.3	Low	174 Å²	174	121.5 Å²	121.5	81%	0.806	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-6.1	-175	-101.3	-50.2	0	0	0	114.7	P100	P100-H102 HydrophobicContact CB-CB 4.43Å; P100-H102 PolarHBondContact O-N 3.05Å
103	Y	45.2	Very low	52.2	Low	206 Å²	206	119.9 Å²	119.9	81%	0.808	66%	0.657	S	S	*	*	S	Bend	trans	-107.1	81.9	166.3	-65.8	-80.9	0	0	0	108.9	A105	Y103-A105 PolarHBondContact O-N 2.9Å
104	G	41.2	Very low	51.8	Low	73 Å²	73	116.7 Å²	116.7	75%	0.753	65%	0.648	S	S	*	*			trans	-62.3	95.6	173.4	0	0	0	0	0	110.8	P106	G104-P106 WeakPolarHBondContact O-CD 3.25Å
105	A	44.8	Very low	51.6	Low	67 Å²	67	117.8 Å²	117.8	55%	0.554	66%	0.659	S	S	*	*			trans	-78.3	114	160.8	0	0	0	0	0	107.8	Y103 G107 F108	Y103-A105 PolarHBondContact O-N 2.9Å; A105-G107 PolarHBondContact O-N 3.28Å; A105-F108 PolarHBondContact O-N 3.05Å
106	P	46.1	Very low	51.3	Low	137 Å²	137	115.7 Å²	115.7	89%	0.89	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	114.1	174.9	24.6	-30.9	0	0	0	108.7	G104	G104-P106 WeakPolarHBondContact O-CD 3.25Å
107	G	49	Very low	51	Low	80 Å²	80	113.4 Å²	113.4	83%	0.825	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.5	1.2	179.3	0	0	0	0	0	116.3	A105 D109	A105-G107 PolarHBondContact O-N 3.28Å; G107-D109 PolarHBondContact O-N 2.64Å
108	F	47.7	Very low	50.4	Low	126 Å²	126	113 Å²	113	55%	0.553	67%	0.669	S	S	*	*			trans	-88.1	91.2	178.2	-157.8	-94.9	0	0	0	111.9	A105 R110 F114	A105-F108 PolarHBondContact O-N 3.05Å; F108-R110 PolarHBondContact O-N 3Å; F108-F114 HydrophobicContact CE2-CD2 4.14Å; F108-F114 HydrophobicContact CE2-CE2 4.28Å
109	D	55.8	Low	49.8	Very low	68 Å²	68	113.7 Å²	113.7	36%	0.364	66%	0.661	S	S	.	*			trans	-80	107.6	171.4	-170.1	-24.1	0	0	0	109.3	G107 N111 K112	G107-D109 PolarHBondContact O-N 2.64Å; D109-N111 PolarHBondContact O-N 3.15Å; D109-N111 WeakPolarHBondContact OD1-CB 3.27Å; D109-N111 PolarHBondContact OD1-N 3.21Å; D109-K112 HydrophobicContact CB-CB 4.01Å; D109-K112 HydrophobicContact CB-CD 4.15Å; D109-K112 HydrophobicContact CB-CG 4.17Å; D109-K112 PolarHBondContact O-N 3.36Å; D109-K112 WeakPolarHBondContact OD2-CD 3.43Å; D109-K112 WeakPolarHBondContact OD2-CE 3.45Å; D109-K112 WeakPolarHBondContact OD2-CG 3.4Å; D109-K112 IonicContact OD2-NZ 2.69Å; D109-K112 PolarHBondContact OD2-NZ 2.92Å
110	R	57	Low	49.4	Very low	203 Å²	203	113.6 Å²	113.6	77%	0.766	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-19.8	179.1	-123.7	179.7	-151.4	-178.1	6.7	113.3	F108	F108-R110 PolarHBondContact O-N 3Å
111	N	56.6	Low	49	Very low	149 Å²	149	112.5 Å²	112.5	80%	0.797	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-4.1	-175.9	-61.7	-35.8	0	0	0	113.8	D109	D109-N111 PolarHBondContact O-N 3.15Å; D109-N111 WeakPolarHBondContact OD1-CB 3.27Å; D109-N111 PolarHBondContact OD1-N 3.21Å
112	K	56.3	Low	48.5	Very low	166 Å²	166	112.6 Å²	112.6	72%	0.722	66%	0.659	S	S	*	*	S	Bend	trans	-109.3	2	-173.2	-75.3	-175.5	-177.7	164.3	0	116.8	D109	D109-K112 HydrophobicContact CB-CB 4.01Å; D109-K112 HydrophobicContact CB-CD 4.15Å; D109-K112 HydrophobicContact CB-CG 4.17Å; D109-K112 PolarHBondContact O-N 3.36Å; D109-K112 WeakPolarHBondContact OD2-CD 3.43Å; D109-K112 WeakPolarHBondContact OD2-CE 3.45Å; D109-K112 WeakPolarHBondContact OD2-CG 3.4Å; D109-K112 IonicContact OD2-NZ 2.69Å; D109-K112 PolarHBondContact OD2-NZ 2.92Å
113	G	47.8	Very low	48.1	Very low	66 Å²	66	109.8 Å²	109.8	68%	0.68	66%	0.655	S	S	*	*			trans	61.4	176.1	-178.9	0	0	0	0	0	112.7
114	F	48.2	Very low	47.9	Very low	92 Å²	92	104.9 Å²	104.9	40%	0.404	65%	0.65	S	S	.	*			trans	-92.4	123.3	-174.6	-150	-101.1	0	0	0	110.1	F108 N118 I119	F108-F114 HydrophobicContact CE2-CD2 4.14Å; F108-F114 HydrophobicContact CE2-CE2 4.28Å; F114-N118 VanDerWaalsContact CE1-C 3.49Å; F114-N118 HydrophobicContact CE1-CB 3.75Å; F114-N118 HydrophobicContact CE2-CB 4.44Å; F114-N118 HydrophobicContact CZ-CB 3.6Å; F114-N118 WeakPolarHBondContact CZ-O 3.39Å; F114-I119 HydrophobicContact CD1-CG1 4.45Å; F114-I119 HydrophobicContact CE1-CG1 4.01Å
115	T	49.4	Very low	47.9	Very low	105 Å²	105	108 Å²	108	64%	0.644	65%	0.649	S	S	*	*			trans	-72.9	143.5	166.5	57.1	0	0	0	0	109	G117	T115-G117 PolarHBondContact O-N 2.96Å
116	P	49.2	Very low	47.6	Very low	116 Å²	116	109 Å²	109	75%	0.753	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	4.6	-172.8	23.3	-32.8	0	0	0	115.4
117	G	46	Very low	47.6	Very low	70 Å²	70	107.6 Å²	107.6	72%	0.722	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-8.6	-175.2	0	0	0	0	0	116.4	T115	T115-G117 PolarHBondContact O-N 2.96Å
118	N	46.6	Very low	47.3	Very low	101 Å²	101	108.5 Å²	108.5	54%	0.54	64%	0.64	S	S	.	*			trans	-117.8	18.6	-168.6	-136.7	-8.6	0	0	0	114.5	F114 S120	F114-N118 VanDerWaalsContact CE1-C 3.49Å; F114-N118 HydrophobicContact CE1-CB 3.75Å; F114-N118 HydrophobicContact CE2-CB 4.44Å; F114-N118 HydrophobicContact CZ-CB 3.6Å; F114-N118 WeakPolarHBondContact CZ-O 3.39Å; N118-S120 PolarHBondContact O-N 2.81Å
119	I	45.3	Very low	47	Very low	93 Å²	93	110.4 Å²	110.4	48%	0.477	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-19.1	-174.2	-56.2	169.7	0	0	0	111.7	F114 A121 I122 T123	F114-I119 HydrophobicContact CD1-CG1 4.45Å; F114-I119 HydrophobicContact CE1-CG1 4.01Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 2.96Å; I119-I122 VanDerWaalsContact O-CG1 3.32Å; I119-I122 WeakPolarHBondContact O-CG1 3.39Å; I119-T123 PolarHBondContact O-OG1 3.48Å
120	S	44.6	Very low	46.4	Very low	105 Å²	105	115.7 Å²	115.7	73%	0.734	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-16	-174.6	-50.4	0	0	0	0	115	N118	N118-S120 PolarHBondContact O-N 2.81Å
121	A	45.1	Very low	45.4	Very low	63 Å²	63	115.9 Å²	115.9	52%	0.521	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.6	-23.2	-177.8	0	0	0	0	0	114.1	I119	I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 2.96Å
122	I	43.5	Very low	44.3	Very low	105 Å²	105	112.5 Å²	112.5	54%	0.538	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.7	-19.9	-176	53.9	170.8	0	0	0	113.4	I119 S124	I119-I122 VanDerWaalsContact O-CG1 3.32Å; I119-I122 WeakPolarHBondContact O-CG1 3.39Å; I122-S124 VanDerWaalsContact C-N 3.35Å
123	T	44.5	Very low	43.4	Very low	115 Å²	115	109 Å²	109	71%	0.706	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-10.4	-177.8	-46.6	0	0	0	0	113.1	I119	I119-T123 PolarHBondContact O-OG1 3.48Å
124	S	40.6	Very low	42.8	Very low	102 Å²	102	113.6 Å²	113.6	71%	0.713	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-1.2	-176.7	-54.7	0	0	0	0	114.2	I122 A126	I122-S124 VanDerWaalsContact C-N 3.35Å; S124-A126 PolarHBondContact O-N 2.81Å
125	L	41	Very low	42.4	Very low	139 Å²	139	118.8 Å²	118.8	73%	0.728	71%	0.712	S	S	*	*	S	Bend	trans	-85.4	107.1	176.5	-74.7	160	0	0	0	108.8
126	A	38.7	Very low	41.7	Very low	87 Å²	87	119.3 Å²	119.3	72%	0.719	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-52.9	131.2	171.4	0	0	0	0	0	109.4	S124	S124-A126 PolarHBondContact O-N 2.81Å
127	P	46.3	Very low	41.1	Very low	109 Å²	109	116.3 Å²	116.3	71%	0.708	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-58.6	136.8	177.3	22.6	-30.8	0	0	0	109.1	N129	P127-N129 PolarHBondContact O-N 3.03Å; P127-N129 VanDerWaalsContact O-N 3.12Å
128	P	43.2	Very low	40.9	Very low	99 Å²	99	124.5 Å²	124.5	64%	0.643	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-59.5	122.4	-179.1	-11.6	20.6	0	0	0	109.6	Y130	P128-Y130 HydrophobicContact CB-CD2 4.2Å; P128-Y130 HydrophobicContact CB-CE2 3.94Å; P128-Y130 HydrophobicContact CG-CE2 4.24Å; P128-Y130 WeakPolarHBondContact O-CD2 3.32Å; P128-Y130 PolarHBondContact O-N 3.48Å
129	N	41.6	Very low	40.4	Very low	165 Å²	165	124.6 Å²	124.6	88%	0.882	74%	0.736	S	S	*	*			trans	-59.6	97.3	170.2	-85.7	-13.6	0	0	0	109.4	P127 F131	P127-N129 PolarHBondContact O-N 3.03Å; P127-N129 VanDerWaalsContact O-N 3.12Å; N129-F131 VanDerWaalsContact C-N 3.27Å; N129-F131 PolarHBondContact O-N 3.01Å; N129-F131 VanDerWaalsContact O-N 3.16Å
130	Y	42.4	Very low	40	Very low	179 Å²	179	123.3 Å²	123.3	70%	0.702	75%	0.746	S	S	*	*			trans	-85.4	66.3	169.4	-81.5	-86.1	0	0	0	110.4	P128	P128-Y130 HydrophobicContact CB-CD2 4.2Å; P128-Y130 HydrophobicContact CB-CE2 3.94Å; P128-Y130 HydrophobicContact CG-CE2 4.24Å; P128-Y130 WeakPolarHBondContact O-CD2 3.32Å; P128-Y130 PolarHBondContact O-N 3.48Å
131	F	35.5	Very low	39.9	Very low	208 Å²	208	128.8 Å²	128.8	91%	0.912	76%	0.757	S	S	*	*			trans	-144.7	111.5	165.8	-107.4	-85.9	0	0	0	110.2	N129	N129-F131 VanDerWaalsContact C-N 3.27Å; N129-F131 PolarHBondContact O-N 3.01Å; N129-F131 VanDerWaalsContact O-N 3.16Å
132	G	33.3	Very low	39.5	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	78%	0.776	S	S	*	*			trans	88.7	98.6	162	0	0	0	0	0	116.1
133	A	39.1	Very low	39.6	Very low	94 Å²	94	141.2 Å²	141.2	78%	0.777	79%	0.793	S	S	*	*			trans	177.1	121.6	131.6	0	0	0	0	0	110.4	F135	A133-F135 PolarHBondContact O-N 3.07Å
134	N	35.4	Very low	39.4	Very low	161 Å²	161	141.7 Å²	141.7	86%	0.861	80%	0.799	S	S	*	*			trans	-51.2	126.8	159.5	-71.5	-67.9	0	0	0	110.1
135	F	39.2	Very low	39.2	Very low	201 Å²	201	140.7 Å²	140.7	88%	0.882	80%	0.804	S	S	*	*			trans	-136	92.3	153.2	-111.8	-88.5	0	0	0	109.3	A133	A133-F135 PolarHBondContact O-N 3.07Å
136	S	35.4	Very low	39.2	Very low	117 Å²	117	145.3 Å²	145.3	82%	0.818	81%	0.812	S	S	*	*			trans	-52.1	136.8	152.3	173.5	0	0	0	0	109.7
137	G	34.9	Very low	39	Very low	53 Å²	53	150.2 Å²	150.2	55%	0.546	82%	0.82	S	S	.	*			trans	111.1	82.5	163.1	0	0	0	0	0	114.4
138	Y	43.1	Very low	38.6	Very low	241 Å²	241	153.9 Å²	153.9	95%	0.945	83%	0.828	S	S	*	*			trans	-149.6	88.9	135	-92.9	-74.3	0	0	0	107.5
139	A	36.5	Very low	38.4	Very low	104 Å²	104	153.9 Å²	153.9	86%	0.86	84%	0.836	S	S	*	*			trans	-69.9	145.4	159.7	0	0	0	0	0	109
140	G	35.7	Very low	38.2	Very low	65 Å²	65	150.3 Å²	150.3	67%	0.67	83%	0.829	S	S	*	*			trans	109	78.5	157.7	0	0	0	0	0	115.5
141	F	42	Very low	38.2	Very low	221 Å²	221	147.9 Å²	147.9	97%	0.969	84%	0.835	S	S	*	*			trans	-150.7	100.7	135.3	-105.2	-79.3	0	0	0	107.9
142	R	38.1	Very low	38	Very low	247 Å²	247	143.3 Å²	143.3	93%	0.932	83%	0.829	S	S	*	*			trans	-99.2	113.7	-178.9	-154.5	-178.7	-168.4	-175.1	2.6	106.8
143	M	45	Very low	38.2	Very low	181 Å²	181	148.6 Å²	148.6	89%	0.892	84%	0.836	S	S	*	*			trans	-76.5	134.8	167.5	-69.6	-72.6	-114.5	0	0	108.9
144	P	41.4	Very low	37.9	Very low	126 Å²	126	146.7 Å²	146.7	82%	0.818	83%	0.825	S	S	*	*			trans	-93.3	147.2	175.6	34.9	-29.4	0	0	0	111.7
145	G	36.1	Very low	37.6	Very low	80 Å²	80	145.1 Å²	145.1	83%	0.825	83%	0.827	S	S	*	*			trans	103.9	86.3	152.8	0	0	0	0	0	116.5
146	R	40.4	Very low	37.5	Very low	237 Å²	237	145.4 Å²	145.4	89%	0.894	82%	0.823	S	S	*	*				-174.6	101.7	124.7	-170.7	167.2	174.1	-177.7	-3.3	109
147	E	35	Very low	37.3	Very low	189 Å²	189	145.7 Å²	145.7	88%	0.883	83%	0.825	S	S	*	*			trans	-72.2	130.8	166.1	-68.8	173.8	148.1	0	0	109.2
148	E	36.6	Very low	37	Very low	187 Å²	187	147.2 Å²	147.2	87%	0.874	84%	0.841	S	S	*	*			trans	-160.6	148.2	135	-124.3	178.4	166.7	0	0	110.2
149	A	39.5	Very low	36.5	Very low	98 Å²	98	140 Å²	140	81%	0.81	83%	0.831	S	S	*	*			trans	-78.5	156.3	-149.5	0	0	0	0	0	116.7
150	A	37.4	Very low	36.4	Very low	91 Å²	91	139.6 Å²	139.6	75%	0.752	82%	0.822	S	S	*	*			trans	-69.1	173	167.6	0	0	0	0	0	112.2
151	P	42.5	Very low	36.4	Very low	127 Å²	127	147.2 Å²	147.2	83%	0.825	83%	0.83	S	S	*	*				-145.3	151.6	87	34.1	-15.4	0	0	0	116.7
152	S	32.1	Very low	36.2	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	82%	0.822	S	S	*	*			trans	-26.5	122.3	157.1	163.6	0	0	0	0	116.8
153	M	37.4	Very low	36.1	Very low	189 Å²	189	140.5 Å²	140.5	93%	0.931	82%	0.815	S	S	*	*			trans	-151.1	131.2	137.3	-73.2	-138.1	-64	0	0	105.3
154	G	32.5	Very low	36.1	Very low	54 Å²	54	137 Å²	137	56%	0.557	80%	0.798	S	S	*	*			cis	131.1	116	46.1	0	0	0	0	0	104.6	Y156	G154-Y156 WeakPolarHBondContact O-CD1 3.05Å; G154-Y156 WeakPolarHBondContact O-CE1 2.96Å
155	S	29.9	Very low	35.8	Very low	128 Å²	128	135 Å²	135	90%	0.895	79%	0.786	S	S	*	*			trans	-49.3	131.7	-171.1	-59.4	0	0	0	0	115.4
156	Y	36	Very low	36.2	Very low	207 Å²	207	141.7 Å²	141.7	81%	0.812	79%	0.792	S	S	*	*			trans	-151.2	101.8	148.3	38.3	-90.2	0	0	0	110.9	G154	G154-Y156 WeakPolarHBondContact O-CD1 3.05Å; G154-Y156 WeakPolarHBondContact O-CE1 2.96Å
157	S	31.2	Very low	35.9	Very low	122 Å²	122	140.2 Å²	140.2	85%	0.853	79%	0.787	S	S	*	*				48	109.9	125.7	-46.1	0	0	0	0	119.8
158	G	29.6	Very low	35.7	Very low	85 Å²	85	133.6 Å²	133.6	88%	0.876	76%	0.764	S	S	*	*				91.1	24.2	122.4	0	0	0	0	0	119.6
159	A	32.3	Very low	35.7	Very low	89 Å²	89	129 Å²	129	74%	0.736	75%	0.751	S	S	*	*			trans	-94.5	103.9	165.8	0	0	0	0	0	109.8	R161	A159-R161 VanDerWaalsContact C-N 3.33Å; A159-R161 PolarHBondContact O-N 3.01Å
160	S	34.1	Very low	35.5	Very low	96 Å²	96	127.1 Å²	127.1	67%	0.671	73%	0.731	S	S	*	*			trans	-54.6	95.7	168.1	-179.2	0	0	0	0	109.1	F162	S160-F162 PolarHBondContact O-N 2.92Å; S160-F162 WeakPolarHBondContact OG-CD2 3.41Å
161	R	35.9	Very low	35.5	Very low	225 Å²	225	125.5 Å²	125.5	85%	0.849	71%	0.712	S	S	*	*			trans	-64.1	88.9	164.7	-76.8	-177.5	-180	158.7	0.8	106.9	A159 D163	A159-R161 VanDerWaalsContact C-N 3.33Å; A159-R161 PolarHBondContact O-N 3.01Å; R161-D163 PolarHBondContact O-N 3.25Å
162	F	36.7	Very low	35.4	Very low	183 Å²	183	120.8 Å²	120.8	80%	0.803	68%	0.681	S	S	*	*			trans	-66.5	93.9	157.2	-94	-85.4	0	0	0	106.2	S160 I164	S160-F162 PolarHBondContact O-N 2.92Å; S160-F162 WeakPolarHBondContact OG-CD2 3.41Å; F162-I164 VanDerWaalsContact C-N 3.25Å; F162-I164 PolarHBondContact O-N 3.26Å
163	D	36.8	Very low	35.9	Very low	144 Å²	144	115.5 Å²	115.5	77%	0.77	64%	0.644	S	S	*	*			trans	-56.3	94.9	162.8	-89.3	-53	0	0	0	107.5	R161 P165	R161-D163 PolarHBondContact O-N 3.25Å; D163-P165 VanDerWaalsContact O-CD 3.25Å; D163-P165 WeakPolarHBondContact O-CD 3.26Å; D163-P165 VanDerWaalsContact O-N 3.1Å
164	I	44.7	Very low	36.1	Very low	107 Å²	107	108.6 Å²	108.6	55%	0.549	61%	0.609	S	S	.	*			trans	-61.1	115.4	167.6	-61.1	171.9	0	0	0	104.9	F162 K166	F162-I164 VanDerWaalsContact C-N 3.25Å; F162-I164 PolarHBondContact O-N 3.26Å; I164-K166 PolarHBondContact O-N 2.91Å; I164-K166 VanDerWaalsContact O-N 3.14Å
165	P	34.8	Very low	36.8	Very low	86 Å²	86	106.8 Å²	106.8	56%	0.558	59%	0.586	S	S	*	*			trans	-56.4	128.5	-178	21	-30.4	0	0	0	107.9	D163 R167 A168	D163-P165 VanDerWaalsContact O-CD 3.25Å; D163-P165 WeakPolarHBondContact O-CD 3.26Å; D163-P165 VanDerWaalsContact O-N 3.1Å; P165-R167 PolarHBondContact O-N 2.73Å; P165-A168 HydrophobicContact CG-CB 4.42Å; P165-A168 PolarHBondContact O-N 2.75Å; P165-A168 VanDerWaalsContact O-N 3.16Å
166	K	44.8	Very low	37.4	Very low	220 Å²	220	104 Å²	104	96%	0.957	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	10.5	179.3	-65	-177.9	178.4	178	0	114.1	I164	I164-K166 PolarHBondContact O-N 2.91Å; I164-K166 VanDerWaalsContact O-N 3.14Å
167	R	34	Very low	37.5	Very low	206 Å²	206	95.6 Å²	95.6	78%	0.777	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142	19.4	-170.6	-136.3	175.4	-176	-177.2	-0.6	113.4	P165 P169	P165-R167 PolarHBondContact O-N 2.73Å; R167-P169 WeakPolarHBondContact O-CD 3.49Å
168	A	31.2	Very low	37.7	Very low	50 Å²	50	95.1 Å²	95.1	41%	0.413	51%	0.512	S	S	.	.			trans	-65.7	121.8	175.9	0	0	0	0	0	110	P165	P165-A168 HydrophobicContact CG-CB 4.42Å; P165-A168 PolarHBondContact O-N 2.75Å; P165-A168 VanDerWaalsContact O-N 3.16Å
169	P	35.6	Very low	37.8	Very low	90 Å²	90	95.7 Å²	95.7	58%	0.584	50%	0.502	S	S	*	.			trans	-58.2	141.5	171.7	25.5	-32.7	0	0	0	108.9	R167 V171	R167-P169 WeakPolarHBondContact O-CD 3.49Å; P169-V171 WeakPolarHBondContact O-CG2 2.94Å; P169-V171 PolarHBondContact O-N 3Å
170	C	36.1	Very low	37.7	Very low	58 Å²	58	95.9 Å²	95.9	39%	0.392	50%	0.497	S	S	.	.			trans	-46.4	98.3	-177.9	-52.7	0	0	0	0	110.8	S296	C170-S296 PolarHBondContact O-N 2.75Å
171	V	36.7	Very low	37.7	Very low	58 Å²	58	97.9 Å²	97.9	35%	0.352	50%	0.501	S	S	.	.			trans	-79.4	129.8	-173.9	-156.9	0	0	0	0	107.4	Y65 P169 V173	Y65-V171 HydrophobicContact CD1-CG1 4.15Å; Y65-V171 HydrophobicContact CD2-CG1 4.49Å; Y65-V171 HydrophobicContact CE1-CG1 3.69Å; Y65-V171 HydrophobicContact CE2-CG1 4.12Å; P169-V171 WeakPolarHBondContact O-CG2 2.94Å; P169-V171 PolarHBondContact O-N 3Å; V171-V173 PolarHBondContact O-N 3.28Å
172	P	41.2	Very low	37.7	Very low	28 Å²	28	94.5 Å²	94.5	18%	0.182	50%	0.499	C	S	.	.			trans	-69.1	94.1	179.1	28.1	-35.8	0	0	0	110.7	Y65 F174 C297	Y65-P172 WeakPolarHBondContact CE2-O 3.1Å; Y65-P172 PolarHBondContact OH-O 3.04Å; P172-F174 HydrophobicContact CB-CE2 4.27Å; P172-F174 WeakPolarHBondContact O-CD2 3.34Å; P172-C297 WeakPolarHBondContact CB-O 3.29Å
173	V	42.2	Very low	37.4	Very low	1 Å²	1	93.4 Å²	93.4	1%	0.006	50%	0.502	C	S	.	.			trans	-75.2	137.6	170.4	-173.4	0	0	0	0	109.5	F67 W72 Y75 V171 I298	F67-V173 HydrophobicContact CD2-CG1 4.23Å; F67-V173 HydrophobicContact CD2-CG2 3.96Å; F67-V173 HydrophobicContact CE2-CG2 3.58Å; F67-V173 HydrophobicContact CZ-CG2 4.16Å; W72-V173 HydrophobicContact CE3-CB 4.06Å; W72-V173 HydrophobicContact CE3-CG1 3.52Å; W72-V173 HydrophobicContact CE3-CG2 4.28Å; W72-V173 HydrophobicContact CH2-CB 4.1Å; W72-V173 HydrophobicContact CH2-CG1 4.13Å; W72-V173 HydrophobicContact CZ3-CB 3.31Å; W72-V173 HydrophobicContact CZ3-CG1 3.24Å; W72-V173 HydrophobicContact CZ3-CG2 3.72Å; Y75-V173 HydrophobicContact CD1-CG2 4.46Å; Y75-V173 HydrophobicContact CE1-CG2 4.16Å; V171-V173 PolarHBondContact O-N 3.28Å; V173-I298 HydrophobicContact CB-CD1 4Å; V173-I298 HydrophobicContact CB-CG1 4.46Å; V173-I298 WeakPolarHBondContact O-CA 3.44Å; V173-I298 WeakPolarHBondContact O-CB 3.3Å; V173-I298 WeakPolarHBondContact O-CD1 3.07Å; V173-I298 WeakPolarHBondContact O-CG1 3.48Å; V173-I298 WeakPolarHBondContact O-CG2 3.41Å
174	F	41.8	Very low	37.1	Very low	44 Å²	44	90 Å²	90	19%	0.193	50%	0.501	C	S	.	.			trans	-107.8	127.5	176.1	-65.4	-135.5	0	0	0	106.9	N64 P172 I299 V301	N64-F174 VanDerWaalsContact ND2-CB 3.34Å; N64-F174 WeakPolarHBondContact ND2-CB 3.35Å; N64-F174 WeakPolarHBondContact ND2-CD2 3.49Å; N64-F174 WeakPolarHBondContact ND2-CG 3.47Å; P172-F174 HydrophobicContact CB-CE2 4.27Å; P172-F174 WeakPolarHBondContact O-CD2 3.34Å; F174-I299 HydrophobicContact CD1-CB 3.94Å; F174-I299 WeakPolarHBondContact CD1-O 3.35Å; F174-I299 HydrophobicContact CE1-CB 3.39Å; F174-I299 HydrophobicContact CE1-CD1 4.19Å; F174-I299 HydrophobicContact CE1-CG1 4.08Å; F174-I299 HydrophobicContact CE1-CG2 4.09Å; F174-I299 WeakPolarHBondContact CE1-O 3.44Å; F174-I299 VanDerWaalsContact CG-O 3.29Å; F174-I299 WeakPolarHBondContact CG-O 3.48Å; F174-I299 HydrophobicContact CZ-CB 3.69Å; F174-I299 HydrophobicContact CZ-CD1 3.92Å; F174-I299 HydrophobicContact CZ-CG1 3.88Å; F174-V301 HydrophobicContact CD1-CG2 4.43Å
175	I	47.1	Very low	36.4	Very low	16 Å²	16	95.1 Å²	95.1	8%	0.082	51%	0.513	C	S	.	.			trans	-107.5	127.7	162	-65.9	-162.9	0	0	0	107.5	L44 F63 W72 A177	L44-I175 HydrophobicContact CD1-CD1 4.21Å; L44-I175 HydrophobicContact CD2-CD1 4.15Å; F63-I175 HydrophobicContact CE1-CD1 4.37Å; W72-I175 HydrophobicContact CD2-CD1 3.55Å; W72-I175 HydrophobicContact CD2-CG1 4.31Å; W72-I175 HydrophobicContact CE3-CD1 4.28Å; W72-I175 HydrophobicContact CG-CD1 3.96Å; W72-I175 HydrophobicContact CH2-CD1 4.1Å; W72-I175 HydrophobicContact CH2-CG1 4.19Å; W72-I175 HydrophobicContact CZ2-CD1 3.33Å; W72-I175 HydrophobicContact CZ2-CG1 3.86Å; W72-I175 VanDerWaalsContact NE1-CD1 3.26Å; I175-A177 VanDerWaalsContact C-N 3.3Å; I175-A177 PolarHBondContact O-N 2.84Å
176	R	42.4	Very low	36.1	Very low	70 Å²	70	97.8 Å²	97.8	26%	0.264	53%	0.528	S	S	.	.			trans	-74	89	169.2	-169.8	179.6	-173.6	88.6	-10.6	108.2	F178 R303	R176-F178 HydrophobicContact CG-CE2 4.11Å; R176-F178 HydrophobicContact CG-CZ 4.42Å; R176-F178 PolarHBondContact O-N 2.82Å; R176-R303 VanDerWaalsContact NH2-CD 3.26Å
177	A	38.6	Very low	35.4	Very low	30 Å²	30	93 Å²	93	25%	0.248	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-68.8	126	172.3	0	0	0	0	0	109.5	I175 I300	I175-A177 VanDerWaalsContact C-N 3.3Å; I175-A177 PolarHBondContact O-N 2.84Å; A177-I300 HydrophobicContact CB-CD1 4.37Å; A177-I300 HydrophobicContact CB-CG2 3.75Å
178	F	36	Very low	35.1	Very low	112 Å²	112	87.5 Å²	87.5	49%	0.491	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-92.5	121.1	164.4	-70.5	-94	0	0	0	106.8	Y62 R176 S180	Y62-F178 HydrophobicContact CE1-CE2 4.04Å; R176-F178 HydrophobicContact CG-CE2 4.11Å; R176-F178 HydrophobicContact CG-CZ 4.42Å; R176-F178 PolarHBondContact O-N 2.82Å; F178-S180 PolarHBondContact O-N 2.79Å
179	C	30	Very low	35.1	Very low	97 Å²	97	94.2 Å²	94.2	66%	0.655	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-72.9	119.9	157.3	-82.4	0	0	0	0	106.1	D181	C179-D181 PolarHBondContact O-N 3.06Å
180	S	30.9	Very low	34.8	Very low	93 Å²	93	96.6 Å²	96.6	65%	0.65	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-57.1	124.3	157.6	-61.4	0	0	0	0	107.1	F178 D182	F178-S180 PolarHBondContact O-N 2.79Å; S180-D182 PolarHBondContact O-N 2.83Å
181	D	33.9	Very low	34.7	Very low	138 Å²	138	102.3 Å²	102.3	74%	0.738	55%	0.546	S	S	*	.			trans	-67.9	83.2	169.5	-75.2	-61.6	0	0	0	107.1	C179 D183	C179-D181 PolarHBondContact O-N 3.06Å; D181-D183 VanDerWaalsContact C-N 3.31Å; D181-D183 PolarHBondContact O-N 2.94Å
182	D	36.3	Very low	34.4	Very low	154 Å²	154	110.4 Å²	110.4	82%	0.824	57%	0.572	S	S	*	*			trans	-69.1	97.5	162.1	-105.6	-68.1	0	0	0	107.4	S180 G184	S180-D182 PolarHBondContact O-N 2.83Å; D182-G184 PolarHBondContact O-N 2.84Å
183	D	31.5	Very low	33.9	Very low	160 Å²	160	111.9 Å²	111.9	86%	0.856	59%	0.593	S	S	*	*			trans	-56.9	103.4	173.3	-77.8	-46.6	0	0	0	110.3	D181	D181-D183 VanDerWaalsContact C-N 3.31Å; D181-D183 PolarHBondContact O-N 2.94Å
184	G	30.4	Very low	33.4	Very low	73 Å²	73	121.5 Å²	121.5	75%	0.753	63%	0.634	S	S	*	*			trans	122	78.4	148.8	0	0	0	0	0	117.4	D182	D182-G184 PolarHBondContact O-N 2.84Å
185	R	29.9	Very low	33	Very low	214 Å²	214	128 Å²	128	81%	0.808	67%	0.665	S	S	*	*			trans	-156.7	103	136.9	-149.5	167.5	178.1	146.1	-3.5	111.6	Q187	R185-Q187 PolarHBondContact O-N 3.31Å; R185-Q187 VanDerWaalsContact O-N 3.12Å
186	V	28.5	Very low	32.2	Very low	142 Å²	142	130.9 Å²	130.9	86%	0.861	69%	0.686	S	S	*	*			trans	-63.8	108.7	166	175.9	0	0	0	0	107.9
187	Q	29.9	Very low	31.9	Very low	119 Å²	119	132.5 Å²	132.5	56%	0.556	70%	0.7	S	S	*	*			trans	-122.2	100.8	157.3	-75.2	-171.8	37.3	0	0	107.9	R185 Y189	R185-Q187 PolarHBondContact O-N 3.31Å; R185-Q187 VanDerWaalsContact O-N 3.12Å; Q187-Y189 HydrophobicContact CB-CD2 4.13Å; Q187-Y189 HydrophobicContact CB-CE2 4.03Å; Q187-Y189 PolarHBondContact O-N 2.77Å
188	S	26.8	Very low	31.9	Very low	91 Å²	91	140 Å²	140	64%	0.636	72%	0.723	S	S	*	*			trans	-64.7	110	169.8	179	0	0	0	0	108.9
189	Y	31.3	Very low	31.8	Very low	190 Å²	190	143.2 Å²	143.2	75%	0.745	74%	0.74	S	S	*	*			trans	-128.8	89.8	163.3	-76.4	-75.5	0	0	0	109.5	Q187 H191	Q187-Y189 HydrophobicContact CB-CD2 4.13Å; Q187-Y189 HydrophobicContact CB-CE2 4.03Å; Q187-Y189 PolarHBondContact O-N 2.77Å; Y189-H191 PolarHBondContact O-N 2.9Å
190	D	29.2	Very low	32	Very low	141 Å²	141	147 Å²	147	75%	0.754	74%	0.742	S	S	*	*			trans	-64.6	112	152.1	-67.3	-50.3	0	0	0	107.4
191	H	33.9	Very low	32.3	Very low	177 Å²	177	150.9 Å²	150.9	82%	0.819	74%	0.742	S	S	*	*			trans	-155.2	86	159.2	-111.6	60.6	0	0	0	111.1	Y189	Y189-H191 PolarHBondContact O-N 2.9Å
192	Y	29.8	Very low	32.5	Very low	229 Å²	229	152.7 Å²	152.7	90%	0.898	75%	0.746	S	S	*	*			trans	-88.8	107.2	147.6	-92.6	-88.9	0	0	0	106.9
193	G	30.9	Very low	32.4	Very low	59 Å²	59	148.7 Å²	148.7	61%	0.608	74%	0.741	S	S	*	*			trans	-175.8	103.9	179.7	0	0	0	0	0	111.1
194	K	33	Very low	32.6	Very low	202 Å²	202	152.7 Å²	152.7	88%	0.878	74%	0.744	S	S	*	*			trans	-32.6	132.6	168.1	-60.4	170.8	175.6	-178	0	112.6
195	H	32.2	Very low	32.8	Very low	181 Å²	181	154.4 Å²	154.4	84%	0.838	75%	0.745	S	S	*	*				-164.6	124.1	128	-120.9	-90.3	0	0	0	111.2
196	S	31.4	Very low	33.1	Very low	76 Å²	76	155.5 Å²	155.5	53%	0.531	75%	0.749	S	S	.	*			trans	-68.7	163.4	161.5	50.9	0	0	0	0	110.2
197	D	35.6	Very low	33.8	Very low	104 Å²	104	154.1 Å²	154.1	56%	0.556	75%	0.746	S	S	*	*			trans	102.3	79.7	156.8	-41.7	-46.3	0	0	0	117.2
198	Y	37.6	Very low	34	Very low	188 Å²	188	154.9 Å²	154.9	74%	0.737	76%	0.761	S	S	*	*			trans	5.3	126.5	137.4	10.3	-88	0	0	0	119.5
199	E	35.3	Very low	34.4	Very low	180 Å²	180	154.3 Å²	154.3	84%	0.841	77%	0.769	S	S	*	*			trans	44.5	123.9	133.6	-64.3	-168.3	141.3	0	0	120.2
200	Y	33.3	Very low	34.8	Very low	175 Å²	175	152 Å²	152	69%	0.686	77%	0.77	S	S	*	*				174.8	123.5	87.4	-169.1	-108.8	0	0	0	112.3
201	R	37.4	Very low	35	Very low	175 Å²	175	149.7 Å²	149.7	66%	0.66	77%	0.765	S	S	*	*			trans	37.1	122.1	148.9	-72.2	-169.3	173.9	143.8	-5.1	122.7
202	H	38.8	Very low	35.2	Very low	176 Å²	176	152.2 Å²	152.2	82%	0.815	77%	0.767	S	S	*	*			trans	64	109.2	132.3	-63.8	-62	0	0	0	120.3
203	G	33.6	Very low	35.5	Very low	71 Å²	71	145.2 Å²	145.2	73%	0.732	75%	0.751	S	S	*	*				108.2	114.6	109.5	0	0	0	0	0	117.3
204	R	36.4	Very low	35.9	Very low	243 Å²	243	152.9 Å²	152.9	92%	0.917	76%	0.764	S	S	*	*			trans	81.4	93.4	155.7	-58.4	-174	-163.3	-134	2.5	117.8
205	S	34.2	Very low	36.3	Very low	110 Å²	110	147.3 Å²	147.3	77%	0.769	75%	0.75	S	S	*	*				4.5	120.2	129.3	-32	0	0	0	0	117.2
206	R	36.3	Very low	36.6	Very low	236 Å²	236	148.7 Å²	148.7	89%	0.891	75%	0.748	S	S	*	*				172.5	127.5	111	-90.1	164.5	-173.9	-161.7	1.9	112.6
207	S	42.1	Very low	36.9	Very low	114 Å²	114	152.6 Å²	152.6	80%	0.797	76%	0.757	S	S	*	*			trans	75.4	126.1	146.1	-57	0	0	0	0	121.2
208	P	35.5	Very low	37.3	Very low	135 Å²	135	151.8 Å²	151.8	88%	0.877	76%	0.76	S	S	*	*			trans	-95.5	144.1	173	35.4	-28.6	0	0	0	112.7
209	G	35.4	Very low	37.6	Very low	78 Å²	78	149.4 Å²	149.4	80%	0.804	76%	0.76	S	S	*	*			trans	119.1	106.4	165.3	0	0	0	0	0	113.4
210	D	38.2	Very low	37.8	Very low	142 Å²	142	150.4 Å²	150.4	76%	0.759	76%	0.756	S	S	*	*				-163.9	134.2	112.1	-147.1	-14.8	0	0	0	111.5
211	S	34.5	Very low	38.2	Very low	92 Å²	92	152.4 Å²	152.4	64%	0.643	76%	0.763	S	S	*	*			trans	-45	143.6	164	1.2	0	0	0	0	114.5
212	R	36.8	Very low	38.5	Very low	231 Å²	231	148.8 Å²	148.8	87%	0.872	76%	0.764	S	S	*	*			trans	156.1	145.8	137.7	-85.4	154.5	-176.7	-172.2	3.1	109.6
213	S	37.4	Very low	38.6	Very low	81 Å²	81	150.6 Å²	150.6	57%	0.566	76%	0.764	S	S	*	*			cis	173.3	156.4	-15.6	-75.2	0	0	0	0	104.4
214	Y	38	Very low	39	Very low	220 Å²	220	154.5 Å²	154.5	86%	0.863	76%	0.761	S	S	*	*			trans	75.7	141.4	162.2	-59.2	-74	0	0	0	117.1
215	S	41.7	Very low	39.1	Very low	86 Å²	86	150.4 Å²	150.4	60%	0.601	75%	0.751	S	S	*	*			cis	-173.2	126.7	-10.6	-125.3	0	0	0	0	103.3
216	R	39.2	Very low	39.6	Very low	210 Å²	210	150.5 Å²	150.5	79%	0.792	75%	0.752	S	S	*	*				72.2	137.9	109.4	-79.3	-169.7	179.2	-169.8	3.1	118
217	H	38.3	Very low	39.5	Very low	157 Å²	157	150.6 Å²	150.6	73%	0.727	75%	0.753	S	S	*	*			trans	83.5	136.2	154.9	-70.6	-51.8	0	0	0	116.6
218	S	42.5	Very low	39.8	Very low	88 Å²	88	150.7 Å²	150.7	62%	0.615	75%	0.753	S	S	*	*			cis	-172.4	146.9	-1.3	33.2	0	0	0	0	109
219	D	44.6	Very low	40.3	Very low	138 Å²	138	150 Å²	150	74%	0.738	75%	0.749	S	S	*	*			trans	46.4	125.8	140.5	-49.3	-40.2	0	0	0	120.5
220	R	40.6	Very low	41	Very low	201 Å²	201	152.1 Å²	152.1	76%	0.758	75%	0.746	S	S	*	*				174.3	127.2	87.3	-90.6	-176.9	-177.4	169.7	0.5	112.4
221	R	41.2	Very low	41.4	Very low	217 Å²	217	153.3 Å²	153.3	82%	0.819	75%	0.747	S	S	*	*			trans	61.8	142.8	130.9	-61	176.7	-177.3	-159	-0.3	117.9
222	S	44.1	Very low	41.7	Very low	98 Å²	98	153.5 Å²	153.5	69%	0.685	75%	0.748	S	S	*	*			cis	-179.7	120.8	-2.1	162.2	0	0	0	0	106.3
223	R	40.8	Very low	42	Very low	215 Å²	215	152.9 Å²	152.9	81%	0.811	75%	0.746	S	S	*	*			trans	32.9	121	130.2	-84.3	173.9	178.2	165	1	118.5
224	K	42	Very low	42.4	Very low	153 Å²	153	157.3 Å²	157.3	67%	0.665	76%	0.757	S	S	*	*				135.6	135.5	96.6	-98.8	172.3	178.2	-159.7	0	115.4
225	H	37	Very low	42.2	Very low	157 Å²	157	157.8 Å²	157.8	73%	0.727	76%	0.757	S	S	*	*			trans	70	140.1	149.6	-56.2	-32	0	0	0	116.2
226	S	44.6	Very low	42.3	Very low	112 Å²	112	159.1 Å²	159.1	78%	0.783	77%	0.766	S	S	*	*			cis	-167.4	140.6	32	34.2	0	0	0	0	112.1
227	R	35.7	Very low	42.4	Very low	238 Å²	238	159.1 Å²	159.1	90%	0.898	77%	0.767	S	S	*	*			trans	3.2	139.5	146.4	-61	173.4	173.1	170.1	-3.5	119.8
228	S	48	Very low	42.6	Very low	115 Å²	115	157 Å²	157	80%	0.804	76%	0.761	S	S	*	*				-175.8	129.4	121.1	-76.7	0	0	0	0	112.7
229	P	44.7	Very low	42.8	Very low	122 Å²	122	161.7 Å²	161.7	79%	0.792	77%	0.773	S	S	*	*			trans	-127.3	118.3	155.9	30.7	-14.3	0	0	0	111.9
230	T	50.8	Low	42.6	Very low	121 Å²	121	166.2 Å²	166.2	74%	0.742	78%	0.78	S	S	*	*			trans	-154.9	153	170.4	61.3	0	0	0	0	107
231	H	46.3	Very low	42.9	Very low	168 Å²	168	161.5 Å²	161.5	78%	0.778	78%	0.775	S	S	*	*			cis	-160	135.3	21.2	-108	-62.2	0	0	0	106.2
232	S	40.8	Very low	42.7	Very low	96 Å²	96	162.8 Å²	162.8	67%	0.671	78%	0.779	S	S	*	*				84.9	144	85.3	-165.7	0	0	0	0	116
233	R	44.3	Very low	42.4	Very low	218 Å²	218	161.1 Å²	161.1	82%	0.823	78%	0.778	S	S	*	*			trans	101.4	128.1	163.1	-63.6	-178.9	-174.8	176.7	1.4	115.2
234	H	44.6	Very low	42.5	Very low	173 Å²	173	156.2 Å²	156.2	80%	0.801	78%	0.777	S	S	*	*			cis	-155.2	143.6	9.5	-116.1	-75.7	0	0	0	109.9
235	R	34.6	Very low	43	Very low	231 Å²	231	155 Å²	155	87%	0.872	78%	0.783	S	S	*	*			trans	-94.5	167.4	166.5	-76.5	179.5	174.9	162.3	-2.1	110.4
236	S	44.4	Very low	43.6	Very low	113 Å²	113	155.9 Å²	155.9	79%	0.79	79%	0.787	S	S	*	*			trans	104.7	140.3	166	-46.2	0	0	0	0	112
237	R	39.9	Very low	43.5	Very low	211 Å²	211	155 Å²	155	80%	0.796	79%	0.786	S	S	*	*			cis	-174.4	153.1	5.8	-123.6	-178	143	158.5	-1.9	106.3
238	D	43.6	Very low	43.9	Very low	113 Å²	113	155 Å²	155	60%	0.604	79%	0.786	S	S	*	*			trans	47.3	121.3	138.9	-50.2	-23.5	0	0	0	120.3
239	E	45.5	Very low	43.8	Very low	186 Å²	186	154.3 Å²	154.3	87%	0.869	78%	0.781	S	S	*	*				168.8	132.3	105.7	-76.4	-104.8	146.4	0	0	111.3
240	R	40.6	Very low	44.2	Very low	233 Å²	233	154.5 Å²	154.5	88%	0.879	78%	0.78	S	S	*	*			trans	-87.2	-153.2	166.4	-71	178.4	162.2	-171	-2.4	108.8
241	P	46.6	Very low	43.9	Very low	101 Å²	101	159.5 Å²	159.5	66%	0.656	79%	0.786	S	S	*	*				-121.2	-179	-101.6	40.1	-22.1	0	0	0	113.6
242	R	37.6	Very low	44	Very low	244 Å²	244	159.1 Å²	159.1	92%	0.921	79%	0.789	S	S	*	*			trans	74.3	118.1	158.4	-59.2	177	178.8	-177	-1.5	118.3
243	G	38.5	Very low	44.2	Very low	64 Å²	64	157.1 Å²	157.1	66%	0.66	78%	0.784	S	S	*	*			trans	-162.3	107.7	150.5	0	0	0	0	0	106.6
244	S	43.3	Very low	44.4	Very low	112 Å²	112	155.5 Å²	155.5	78%	0.783	79%	0.785	S	S	*	*				76.6	150.2	77.7	76.3	0	0	0	0	112.5
245	T	51.4	Low	44.7	Very low	128 Å²	128	152.4 Å²	152.4	79%	0.785	78%	0.783	S	S	*	*			trans	92.6	126.1	-168.2	71.1	0	0	0	0	113.2
246	Q	50.4	Low	45.2	Very low	175 Å²	175	150.5 Å²	150.5	82%	0.818	78%	0.784	S	S	*	*			cis	-162.7	124.9	3	-107	168.3	-6.3	0	0	105.3
247	A	42.1	Very low	45	Very low	92 Å²	92	148.8 Å²	148.8	76%	0.76	78%	0.783	S	S	*	*				64.4	109.2	100.5	0	0	0	0	0	116.3
248	R	43.6	Very low	45.2	Very low	239 Å²	239	147.3 Å²	147.3	90%	0.902	79%	0.785	S	S	*	*			trans	167.1	86.3	147.2	-94.5	170.1	-171.9	-157.4	2.5	107.6
249	S	45.5	Very low	45.4	Very low	101 Å²	101	147.2 Å²	147.2	71%	0.706	79%	0.793	S	S	*	*				30.7	108.3	83.5	76.1	0	0	0	0	114.9
250	T	53.1	Low	45.4	Very low	125 Å²	125	147 Å²	147	77%	0.767	79%	0.792	S	S	*	*				166.9	137.2	101.5	32.6	0	0	0	0	112.7
251	R	46.3	Very low	45.7	Very low	227 Å²	227	145.2 Å²	145.2	86%	0.857	79%	0.791	S	S	*	*			trans	75.7	96.2	142.7	-79.2	178	173.6	170.7	-2.3	120.4
252	D	46.4	Very low	45.4	Very low	160 Å²	160	152.3 Å²	152.3	86%	0.856	81%	0.805	S	S	*	*				18.4	128.3	106.4	-56.7	-51	0	0	0	118.4
253	G	45.2	Very low	45.9	Very low	54 Å²	54	146.6 Å²	146.6	56%	0.557	80%	0.796	S	S	*	*			trans	167.8	109.1	144.2	0	0	0	0	0	116.5
254	H	49.1	Very low	46.4	Very low	184 Å²	184	147.7 Å²	147.7	85%	0.852	79%	0.794	S	S	*	*			trans	64.5	143.2	136.7	-48.3	92.7	0	0	0	118
255	S	51.6	Low	46.2	Very low	107 Å²	107	152 Å²	152	75%	0.748	80%	0.802	S	S	*	*			cis	-177.6	144.1	-5.1	42	0	0	0	0	105.3
256	H	43.4	Very low	45.9	Very low	192 Å²	192	156.3 Å²	156.3	89%	0.889	80%	0.804	S	S	*	*			trans	-60	140.2	170.4	-89.5	-10	0	0	0	112.6
257	G	41.6	Very low	45.7	Very low	76 Å²	76	157.3 Å²	157.3	78%	0.784	81%	0.805	S	S	*	*			trans	-143.4	104.7	167.4	0	0	0	0	0	110
258	H	44.5	Very low	45.9	Very low	181 Å²	181	159.8 Å²	159.8	84%	0.838	81%	0.806	S	S	*	*			trans	-65.5	137.8	168.7	-93.6	-94.3	0	0	0	110.8
259	S	47.9	Very low	45.9	Very low	110 Å²	110	156.1 Å²	156.1	77%	0.769	80%	0.804	S	S	*	*			trans	-162.3	100.3	157.3	162.3	0	0	0	0	109.5
260	E	44.5	Very low	45.7	Very low	183 Å²	183	156 Å²	156	86%	0.855	80%	0.803	S	S	*	*			trans	-59.8	127.1	171.9	-61.4	176.4	139.9	0	0	111.2
261	K	46.4	Very low	45.1	Very low	195 Å²	195	158.5 Å²	158.5	85%	0.848	81%	0.806	S	S	*	*			trans	-140.1	105.9	155.8	-107.5	178.4	-177.1	175.6	0	109.1	V263	K261-V263 PolarHBondContact O-N 3.42Å
262	R	39.8	Very low	44.9	Very low	250 Å²	250	154.8 Å²	154.8	94%	0.943	80%	0.803	S	S	*	*			trans	-60.7	112	165.2	-71.6	176.9	173.8	-178.8	-2.2	109.2
263	V	48.7	Very low	44.6	Very low	123 Å²	123	157.3 Å²	157.3	75%	0.745	81%	0.806	S	S	*	*			trans	-145.2	111.7	159.2	177.9	0	0	0	0	108.3	K261	K261-V263 PolarHBondContact O-N 3.42Å
264	S	49.1	Very low	44	Very low	88 Å²	88	163.1 Å²	163.1	62%	0.615	82%	0.819	S	S	*	*			trans	34.2	115	157.8	65	0	0	0	0	118.9	R266	S264-R266 PolarHBondContact O-N 2.88Å
265	E	39	Very low	43.3	Very low	202 Å²	202	163.4 Å²	163.4	94%	0.944	82%	0.818	S	S	*	*			trans	-42	102.7	161.7	-68.1	172.2	132.6	0	0	112
266	R	44.8	Very low	42.3	Very low	218 Å²	218	162.9 Å²	162.9	82%	0.823	81%	0.814	S	S	*	*			trans	-113.5	109	150.8	-69.2	-174.7	-178.7	-173.8	0.5	104.6	S264 D268	S264-R266 PolarHBondContact O-N 2.88Å; R266-D268 PolarHBondContact O-N 3.19Å; R266-D268 VanDerWaalsContact O-N 3.07Å
267	K	47.2	Very low	41.6	Very low	197 Å²	197	164 Å²	164	86%	0.857	81%	0.812	S	S	*	*			trans	-50.2	116.8	172.6	-88.6	173.3	171.3	170.1	0	107.9	D269	K267-D269 PolarHBondContact O-N 3.02Å
268	D	44.9	Very low	41	Very low	144 Å²	144	170.7 Å²	170.7	77%	0.77	81%	0.813	S	S	*	*			trans	-64.2	101.2	171.2	-72.1	-50.9	0	0	0	108.6	R266 S270	R266-D268 PolarHBondContact O-N 3.19Å; R266-D268 VanDerWaalsContact O-N 3.07Å; D268-S270 PolarHBondContact O-N 2.99Å
269	D	44.4	Very low	40.4	Very low	162 Å²	162	171.3 Å²	171.3	87%	0.866	81%	0.814	S	S	*	*			trans	-70.1	54.5	164.6	-71.7	-41.8	0	0	0	110.1	K267	K267-D269 PolarHBondContact O-N 3.02Å
270	S	42.2	Very low	39.6	Very low	97 Å²	97	174.4 Å²	174.4	68%	0.678	81%	0.813	S	S	*	*			trans	-96	11.5	-178.5	68.3	0	0	0	0	114	D268	D268-S270 PolarHBondContact O-N 2.99Å
271	H	40.4	Very low	39.2	Very low	178 Å²	178	173.5 Å²	173.5	82%	0.824	81%	0.809	S	S	*	*	S	Bend	trans	-112.4	68	172.5	-86.8	-73.4	0	0	0	110.8
272	D	42.1	Very low	38.8	Very low	149 Å²	149	171.7 Å²	171.7	80%	0.797	81%	0.808	S	S	*	*	S	Bend	trans	-169.4	29.3	164	-103.9	-20.9	0	0	0	116.5
273	K	39.8	Very low	38.7	Very low	214 Å²	214	166.3 Å²	166.3	93%	0.93	80%	0.798	S	S	*	*	S	Bend	trans	-111.4	3	172	-72.3	-175.2	-178.7	170.3	0	115
274	E	33.5	Very low	38.1	Very low	175 Å²	175	164 Å²	164	82%	0.818	80%	0.8	S	S	*	*	S	Bend	trans	-117	110.2	173.3	-163.4	173.3	-170.7	0	0	107.2
275	K	32.9	Very low	37.5	Very low	191 Å²	191	169.1 Å²	169.1	83%	0.83	81%	0.806	S	S	*	*			trans	92.6	40.9	-172.4	-51.1	167.4	-175.7	171.5	0	117	Y277	K275-Y277 PolarHBondContact O-N 3.46Å
276	S	30.6	Very low	37.5	Very low	95 Å²	95	167.6 Å²	167.6	66%	0.664	80%	0.796	S	S	*	*			trans	-85.2	48	145.2	-164.3	0	0	0	0	110.8	R278	S276-R278 PolarHBondContact O-N 3.42Å; S276-R278 VanDerWaalsContact O-N 3.11Å
277	Y	30.1	Very low	37	Very low	215 Å²	215	164.1 Å²	164.1	84%	0.843	78%	0.783	S	S	*	*			trans	-74.3	85.6	142.6	-81.1	-84.5	0	0	0	103.9	K275 K279	K275-Y277 PolarHBondContact O-N 3.46Å; Y277-K279 PolarHBondContact O-N 3.31Å
278	R	28.5	Very low	36.4	Very low	218 Å²	218	163.5 Å²	163.5	82%	0.823	78%	0.775	S	S	*	*			trans	-50.5	107.5	155.1	-97.2	-175.1	173	117.2	-3.1	104.2	S276 K280	S276-R278 PolarHBondContact O-N 3.42Å; S276-R278 VanDerWaalsContact O-N 3.11Å; R278-K280 PolarHBondContact O-N 2.79Å
279	K	30.8	Very low	35.8	Very low	194 Å²	194	165.3 Å²	165.3	84%	0.843	77%	0.772	S	S	*	*			trans	-55.8	73.9	154.5	-175	-178.6	-179.9	-176.7	0	105.3	Y277 E281	Y277-K279 PolarHBondContact O-N 3.31Å; K279-E281 PolarHBondContact O-N 2.92Å
280	K	32.6	Very low	35.2	Very low	175 Å²	175	161.5 Å²	161.5	76%	0.761	76%	0.755	S	S	*	*			trans	-58.8	119.4	150.9	-110.8	-178.7	174.4	178.9	0	102.1	R278 D282	R278-K280 PolarHBondContact O-N 2.79Å; K280-D282 PolarHBondContact O-N 3.48Å
281	E	34.6	Very low	34.5	Very low	163 Å²	163	162.5 Å²	162.5	76%	0.762	76%	0.762	S	S	*	*			trans	-50.6	95.9	164	-68.1	171.2	143.4	0	0	105.4	K279 D283	K279-E281 PolarHBondContact O-N 2.92Å; E281-D283 PolarHBondContact O-N 3.43Å
282	D	38.1	Very low	34	Very low	157 Å²	157	158.8 Å²	158.8	84%	0.84	75%	0.746	S	S	*	*			trans	-65.5	91.3	165.8	-82.3	-31.4	0	0	0	103.8	K280 G284	K280-D282 PolarHBondContact O-N 3.48Å; D282-G284 PolarHBondContact O-N 3.34Å
283	D	38.6	Very low	33.4	Very low	137 Å²	137	158.2 Å²	158.2	73%	0.733	74%	0.743	S	S	*	*			trans	-53.7	82.9	171.7	-82.7	-36.2	0	0	0	109.3	E281 R285	E281-D283 PolarHBondContact O-N 3.43Å; D283-R285 PolarHBondContact O-N 3.23Å
284	G	36.1	Very low	32.9	Very low	75 Å²	75	155.9 Å²	155.9	77%	0.773	74%	0.735	S	S	*	*	S	Bend	trans	48.4	5.7	154.1	0	0	0	0	0	119.4	D282 K286	D282-G284 PolarHBondContact O-N 3.34Å; G284-K286 PolarHBondContact O-N 2.86Å; G284-K286 VanDerWaalsContact O-N 3.13Å
285	R	36.3	Very low	32.8	Very low	196 Å²	196	151.4 Å²	151.4	74%	0.74	72%	0.723	S	S	*	*			trans	-91	77	-175	-79.1	-171.9	-165.1	-163.3	4	109.3	D283 R287	D283-R285 PolarHBondContact O-N 3.23Å; R285-R287 VanDerWaalsContact C-N 3.34Å; R285-R287 PolarHBondContact O-N 3.3Å
286	K	38.9	Very low	32.7	Very low	169 Å²	169	145.2 Å²	145.2	74%	0.735	70%	0.704	S	S	*	*			trans	-70.3	94.9	158.1	-68.1	-175.2	178.6	-178.1	0	108	G284 W288	G284-K286 PolarHBondContact O-N 2.86Å; G284-K286 VanDerWaalsContact O-N 3.13Å; K286-W288 HydrophobicContact CD-CZ2 4.49Å
287	R	35.3	Very low	32.9	Very low	146 Å²	146	142 Å²	142	55%	0.551	68%	0.681	S	S	*	*			trans	-82.3	110.9	169.6	-156.9	165.4	-158.4	171.9	19.8	107.2	D61 R285 Y289	D61-R287 IonicContact OD1-NH2 2.67Å; D61-R287 PolarHBondContact OD1-NH2 3.25Å; R285-R287 VanDerWaalsContact C-N 3.34Å; R285-R287 PolarHBondContact O-N 3.3Å; R287-Y289 HydrophobicContact CB-CE2 4.11Å; R287-Y289 WeakPolarHBondContact CD-OH 2.8Å; R287-Y289 HydrophobicContact CG-CD2 4.34Å; R287-Y289 HydrophobicContact CG-CE2 3.68Å; R287-Y289 PolarHBondContact NE-OH 2.69Å
288	W	33.8	Very low	33.4	Very low	183 Å²	183	133 Å²	133	69%	0.693	65%	0.648	S	S	*	*			trans	-89.6	120.9	173.2	-61.3	94	0	0	0	108.1	K286	K286-W288 HydrophobicContact CD-CZ2 4.49Å
289	Y	31.6	Very low	33.8	Very low	183 Å²	183	125 Å²	125	72%	0.718	62%	0.621	S	S	*	*			trans	-103.5	120.9	167.2	-66.8	-87.5	0	0	0	107.3	R287	R287-Y289 HydrophobicContact CB-CE2 4.11Å; R287-Y289 WeakPolarHBondContact CD-OH 2.8Å; R287-Y289 HydrophobicContact CG-CD2 4.34Å; R287-Y289 HydrophobicContact CG-CE2 3.68Å; R287-Y289 PolarHBondContact NE-OH 2.69Å
290	V	31.9	Very low	34.1	Very low	81 Å²	81	117.8 Å²	117.8	49%	0.491	59%	0.591	S	S	.	*			trans	-105.9	118.1	172.7	-172.4	0	0	0	0	107.4	M292 I299	V290-M292 HydrophobicContact CG1-CG 3.72Å; V290-M292 HydrophobicContact CG1-SD 4.01Å; V290-I299 HydrophobicContact CB-CD1 3.94Å; V290-I299 HydrophobicContact CG1-CD1 4.32Å; V290-I299 HydrophobicContact CG2-CD1 4.23Å
291	S	27.2	Very low	34.3	Very low	119 Å²	119	111.6 Å²	111.6	83%	0.832	57%	0.568	S	S	*	*			trans	-78.3	119.6	170.8	175.7	0	0	0	0	108.4
292	M	29.8	Very low	34.1	Very low	100 Å²	100	107.6 Å²	107.6	49%	0.493	56%	0.557	S	S	.	*			trans	-133.6	135	174	-62	-169.6	76	0	0	111.9	V290 I299	V290-M292 HydrophobicContact CG1-CG 3.72Å; V290-M292 HydrophobicContact CG1-SD 4.01Å; M292-I299 HydrophobicContact SD-CD1 4.19Å
293	N	30.3	Very low	34.1	Very low	137 Å²	137	106.6 Å²	106.6	73%	0.733	54%	0.542	S	S	*	.			trans	-66.2	147.6	174.6	-71.6	-34.3	0	0	0	110.9	S295	N293-S295 VanDerWaalsContact C-N 3.32Å; N293-S295 PolarHBondContact O-N 3Å
294	H	30.4	Very low	33.9	Very low	164 Å²	164	105.1 Å²	105.1	76%	0.759	54%	0.542	S	S	*	.	S	Bend	trans	-27	63.8	173.3	-41.1	-91.5	0	0	0	118.1
295	S	30.6	Very low	34	Very low	82 Å²	82	105 Å²	105	57%	0.573	53%	0.53	S	S	*	.	S	Bend	trans	-161	93.8	167.7	-49.3	0	0	0	0	110.1	N293 C297	N293-S295 VanDerWaalsContact C-N 3.32Å; N293-S295 PolarHBondContact O-N 3Å; S295-C297 PolarHBondContact O-SG 2.84Å
296	S	30.7	Very low	34	Very low	61 Å²	61	104.3 Å²	104.3	43%	0.427	53%	0.532	S	S	.	.			trans	47	79.2	148.6	-42.8	0	0	0	0	118.6	C170	C170-S296 PolarHBondContact O-N 2.75Å
297	C	35.4	Very low	33.7	Very low	28 Å²	28	99.7 Å²	99.7	19%	0.189	52%	0.521	C	S	.	.			trans	-164.7	102.9	165.2	35.1	0	0	0	0	116.9	P172 S295 I299	P172-C297 WeakPolarHBondContact CB-O 3.29Å; S295-C297 PolarHBondContact O-SG 2.84Å; C297-I299 PolarHBondContact O-N 3.08Å
298	I	40.8	Very low	33.8	Very low	26 Å²	26	103.5 Å²	103.5	13%	0.133	54%	0.535	C	S	.	.			trans	-68.3	115.4	169	-61.6	-165.2	0	0	0	109.9	I39 Y40 W72 Y75 V173 I300	I39-I298 HydrophobicContact CD1-CG2 3.58Å; Y40-I298 HydrophobicContact CE1-CD1 4.44Å; W72-I298 HydrophobicContact CH2-CD1 3.62Å; W72-I298 HydrophobicContact CZ3-CD1 4.08Å; Y75-I298 HydrophobicContact CE1-CD1 4.4Å; V173-I298 HydrophobicContact CB-CD1 4Å; V173-I298 HydrophobicContact CB-CG1 4.46Å; V173-I298 WeakPolarHBondContact O-CA 3.44Å; V173-I298 WeakPolarHBondContact O-CB 3.3Å; V173-I298 WeakPolarHBondContact O-CD1 3.07Å; V173-I298 WeakPolarHBondContact O-CG1 3.48Å; V173-I298 WeakPolarHBondContact O-CG2 3.41Å; I298-I300 HydrophobicContact CG2-CG1 4.46Å
299	I	37.1	Very low	34.1	Very low	50 Å²	50	99.3 Å²	99.3	26%	0.256	53%	0.53	S	S	.	.			trans	-96.8	111.8	173.2	-52.4	176.9	0	0	0	108.5	F174 V290 M292 C297 V301	F174-I299 HydrophobicContact CD1-CB 3.94Å; F174-I299 WeakPolarHBondContact CD1-O 3.35Å; F174-I299 HydrophobicContact CE1-CB 3.39Å; F174-I299 HydrophobicContact CE1-CD1 4.19Å; F174-I299 HydrophobicContact CE1-CG1 4.08Å; F174-I299 HydrophobicContact CE1-CG2 4.09Å; F174-I299 WeakPolarHBondContact CE1-O 3.44Å; F174-I299 VanDerWaalsContact CG-O 3.29Å; F174-I299 WeakPolarHBondContact CG-O 3.48Å; F174-I299 HydrophobicContact CZ-CB 3.69Å; F174-I299 HydrophobicContact CZ-CD1 3.92Å; F174-I299 HydrophobicContact CZ-CG1 3.88Å; V290-I299 HydrophobicContact CB-CD1 3.94Å; V290-I299 HydrophobicContact CG1-CD1 4.32Å; V290-I299 HydrophobicContact CG2-CD1 4.23Å; M292-I299 HydrophobicContact SD-CD1 4.19Å; C297-I299 PolarHBondContact O-N 3.08Å; I299-V301 HydrophobicContact CG2-CG2 4.4Å; I299-V301 PolarHBondContact O-N 3.47Å
300	I	37	Very low	34.2	Very low	42 Å²	42	92.9 Å²	92.9	22%	0.215	52%	0.519	C	S	.	.			trans	-76.1	110.1	164.4	-61.4	177.2	0	0	0	107	A32 V34 I39 A177 I298 S302	A32-I300 HydrophobicContact CB-CD1 4.29Å; V34-I300 HydrophobicContact CG2-CD1 3.73Å; I39-I300 HydrophobicContact CD1-CD1 3.72Å; I39-I300 HydrophobicContact CD1-CG1 4.04Å; I39-I300 HydrophobicContact CG1-CD1 4.42Å; A177-I300 HydrophobicContact CB-CD1 4.37Å; A177-I300 HydrophobicContact CB-CG2 3.75Å; I298-I300 HydrophobicContact CG2-CG1 4.46Å; I300-S302 PolarHBondContact O-N 3.38Å
301	V	36.2	Very low	34.4	Very low	45 Å²	45	90 Å²	90	27%	0.273	51%	0.506	S	S	.	.			trans	-74.9	84.1	166.5	-177.9	0	0	0	0	107.2	F174 I299 R303	F174-V301 HydrophobicContact CD1-CG2 4.43Å; I299-V301 HydrophobicContact CG2-CG2 4.4Å; I299-V301 PolarHBondContact O-N 3.47Å; V301-R303 PolarHBondContact O-N 3.4Å
302	S	31.1	Very low	35	Very low	78 Å²	78	93.5 Å²	93.5	55%	0.545	50%	0.501	S	S	.	.			trans	-63.5	121.4	168.8	-166.8	0	0	0	0	107.5	I300 S304	I300-S302 PolarHBondContact O-N 3.38Å; S302-S304 VanDerWaalsContact C-N 3.3Å; S302-S304 PolarHBondContact O-N 3.11Å
303	R	36.6	Very low	35.6	Very low	137 Å²	137	94.8 Å²	94.8	52%	0.517	51%	0.506	S	S	.	.			trans	-64.3	103.4	164.4	-74.9	177.3	86.7	174.3	-3.2	104.9	R176 V301 S305	R176-R303 VanDerWaalsContact NH2-CD 3.26Å; V301-R303 PolarHBondContact O-N 3.4Å; R303-S305 PolarHBondContact O-N 3.03Å
304	S	34.9	Very low	36.3	Very low	105 Å²	105	91.3 Å²	91.3	73%	0.734	49%	0.492	S	S	*	.			trans	-64.6	83.8	147.1	-174.5	0	0	0	0	105.7	S302 K306	S302-S304 VanDerWaalsContact C-N 3.3Å; S302-S304 PolarHBondContact O-N 3.11Å; S304-K306 PolarHBondContact O-N 3.05Å
305	S	37.6	Very low	36.9	Very low	74 Å²	74	92.6 Å²	92.6	52%	0.517	49%	0.49	S	S	.	.			trans	-50.6	100.1	138.6	-54	0	0	0	0	102.8	R303 S307	R303-S305 PolarHBondContact O-N 3.03Å; S305-S307 PolarHBondContact O-N 3.34Å
306	K	37.2	Very low	37.9	Very low	181 Å²	181	91.8 Å²	91.8	79%	0.787	48%	0.482	S	S	*	.			trans	-50.7	103.2	147.9	-94.7	179.8	173.8	176.3	0	102.1	S304 R308	S304-K306 PolarHBondContact O-N 3.05Å; K306-R308 PolarHBondContact O-N 3.33Å
307	S	33.2	Very low	39	Very low	72 Å²	72	95.6 Å²	95.6	50%	0.503	49%	0.491	S	S	.	.			trans	-43.1	128.4	162.4	60.8	0	0	0	0	103.3	S305 T309	S305-S307 PolarHBondContact O-N 3.34Å; S307-T309 PolarHBondContact O-N 3.36Å; S307-T309 PolarHBondContact O-OG1 3.14Å; S307-T309 WeakPolarHBondContact OG-CG2 3.12Å; S307-T309 PolarHBondContact OG-OG1 3.05Å
308	R	36.6	Very low	39.9	Very low	226 Å²	226	101 Å²	101	85%	0.853	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	38.6	178.1	-78	173.3	126.7	174.8	-0.2	109.8	K306 G310 G311 R312	K306-R308 PolarHBondContact O-N 3.33Å; R308-G310 VanDerWaalsContact C-N 3.32Å; R308-G311 CarbonylContact O-C 3.59Å; R308-G311 WeakPolarHBondContact O-CA 3.32Å; R308-G311 PolarHBondContact O-N 3.01Å; R308-R312 PolarHBondContact O-N 3.16Å
309	T	40.5	Very low	40.7	Very low	95 Å²	95	102.7 Å²	102.7	58%	0.583	53%	0.527	S	S	*	.	H	α-helix	trans	-71.5	-29.6	160.3	58	0	0	0	0	110.2	S307 G311 R312 E313	S307-T309 PolarHBondContact O-N 3.36Å; S307-T309 PolarHBondContact O-OG1 3.14Å; S307-T309 WeakPolarHBondContact OG-CG2 3.12Å; S307-T309 PolarHBondContact OG-OG1 3.05Å; T309-G311 VanDerWaalsContact C-N 3.29Å; T309-R312 WeakPolarHBondContact O-CB 3.4Å; T309-R312 PolarHBondContact O-N 3.04Å; T309-R312 VanDerWaalsContact O-N 3.15Å; T309-E313 PolarHBondContact O-N 2.84Å
310	G	34.1	Very low	41.7	Very low	47 Å²	47	109.1 Å²	109.1	49%	0.485	55%	0.548	S	S	.	.	H	α-helix	trans	-74.5	-17.8	163.3	0	0	0	0	0	114.1	R308 S314	R308-G310 VanDerWaalsContact C-N 3.32Å; G310-S314 PolarHBondContact O-N 2.87Å; G310-S314 PolarHBondContact O-OG 3.39Å
311	G	34.7	Very low	42.8	Very low	21 Å²	21	113 Å²	113	22%	0.216	56%	0.564	C	S	.	*	H	α-helix	trans	-75	-28.4	165.6	0	0	0	0	0	112	R308 T309 S314 R315	R308-G311 CarbonylContact O-C 3.59Å; R308-G311 WeakPolarHBondContact O-CA 3.32Å; R308-G311 PolarHBondContact O-N 3.01Å; T309-G311 VanDerWaalsContact C-N 3.29Å; G311-S314 WeakPolarHBondContact CA-OG 3.24Å; G311-S314 PolarHBondContact O-OG 2.69Å; G311-R315 WeakPolarHBondContact O-CA 2.98Å; G311-R315 WeakPolarHBondContact O-CB 3.32Å; G311-R315 PolarHBondContact O-N 3.27Å
312	R	40.6	Very low	44.1	Very low	192 Å²	192	114.1 Å²	114.1	73%	0.725	57%	0.574	S	S	*	*	H	α-helix	trans	-73.7	-36.6	177.7	-149.1	169.2	174.9	152.8	-3.3	110.9	R308 T309 V316	R308-R312 PolarHBondContact O-N 3.16Å; T309-R312 WeakPolarHBondContact O-CB 3.4Å; T309-R312 PolarHBondContact O-N 3.04Å; T309-R312 VanDerWaalsContact O-N 3.15Å; R312-V316 WeakPolarHBondContact O-CA 3.4Å; R312-V316 WeakPolarHBondContact O-CB 3.25Å; R312-V316 WeakPolarHBondContact O-CG2 3.16Å; R312-V316 PolarHBondContact O-N 3.45Å
313	E	41.8	Very low	45.8	Very low	127 Å²	127	117.7 Å²	117.7	59%	0.593	58%	0.579	S	S	*	*	H	α-helix	trans	-71.4	-37.5	172.2	-71.7	-162.8	154.9	0	0	113.9	T309 K317	T309-E313 PolarHBondContact O-N 2.84Å; E313-K317 VanDerWaalsContact O-CB 3.23Å; E313-K317 WeakPolarHBondContact O-CB 2.79Å; E313-K317 WeakPolarHBondContact O-CG 3.47Å; E313-K317 PolarHBondContact O-N 3.12Å
314	S	44.7	Very low	47.3	Very low	64 Å²	64	115.9 Å²	115.9	45%	0.448	58%	0.577	S	S	.	*	H	α-helix	trans	-72.6	-39.3	175.9	45.7	0	0	0	0	111.9	G310 G311 K317 E318	G310-S314 PolarHBondContact O-N 2.87Å; G310-S314 PolarHBondContact O-OG 3.39Å; G311-S314 WeakPolarHBondContact CA-OG 3.24Å; G311-S314 PolarHBondContact O-OG 2.69Å; S314-K317 PolarHBondContact O-N 3.07Å; S314-E318 WeakPolarHBondContact O-CB 3.44Å; S314-E318 PolarHBondContact O-N 3.41Å
315	R	44.5	Very low	48.8	Very low	192 Å²	192	119 Å²	119	73%	0.725	57%	0.572	S	S	*	*	H	α-helix	trans	-71.7	-29.3	173.1	-160.2	175.2	-165.6	-179.9	3.4	112.4	G311 S319	G311-R315 WeakPolarHBondContact O-CA 2.98Å; G311-R315 WeakPolarHBondContact O-CB 3.32Å; G311-R315 PolarHBondContact O-N 3.27Å; R315-S319 WeakPolarHBondContact O-CB 2.81Å; R315-S319 PolarHBondContact O-N 3.16Å; R315-S319 PolarHBondContact O-OG 2.95Å; R315-S319 VanDerWaalsContact O-OG 3.05Å
316	V	51	Low	50.4	Low	64 Å²	64	120.7 Å²	120.7	39%	0.388	57%	0.572	S	S	.	*	H	α-helix	trans	-74.4	-38.2	170.1	168.8	0	0	0	0	111	R312 R320	R312-V316 WeakPolarHBondContact O-CA 3.4Å; R312-V316 WeakPolarHBondContact O-CB 3.25Å; R312-V316 WeakPolarHBondContact O-CG2 3.16Å; R312-V316 PolarHBondContact O-N 3.45Å; V316-R320 VanDerWaalsContact O-CB 3.25Å; V316-R320 WeakPolarHBondContact O-CB 3.49Å; V316-R320 VanDerWaalsContact O-CG 3.25Å; V316-R320 WeakPolarHBondContact O-CG 3.07Å; V316-R320 PolarHBondContact O-N 2.89Å
317	K	53.4	Low	52.1	Low	142 Å²	142	115 Å²	115	62%	0.617	56%	0.555	S	S	*	*	H	α-helix	trans	-68	-38.6	173.7	-76.7	171.2	-176.9	171.8	0	111.8	E313 S314 K321	E313-K317 VanDerWaalsContact O-CB 3.23Å; E313-K317 WeakPolarHBondContact O-CB 2.79Å; E313-K317 WeakPolarHBondContact O-CG 3.47Å; E313-K317 PolarHBondContact O-N 3.12Å; S314-K317 PolarHBondContact O-N 3.07Å; K317-K321 VanDerWaalsContact O-CB 3.27Å; K317-K321 WeakPolarHBondContact O-CB 3.44Å; K317-K321 PolarHBondContact O-N 3.39Å
318	E	54.2	Low	54.2	Low	140 Å²	140	117.1 Å²	117.1	65%	0.654	56%	0.555	S	S	*	*	H	α-helix	trans	-73.9	-41.1	176.7	-166.9	164.3	-153.9	0	0	111.8	S314 R320 K321 S322	S314-E318 WeakPolarHBondContact O-CB 3.44Å; S314-E318 PolarHBondContact O-N 3.41Å; E318-R320 PolarHBondContact O-N 3.07Å; E318-K321 CarbonylContact O-C 3.59Å; E318-K321 PolarHBondContact O-N 3.4Å; E318-S322 WeakPolarHBondContact O-CB 3.34Å; E318-S322 PolarHBondContact O-N 3.41Å
319	S	56.8	Low	56	Low	62 Å²	62	109.4 Å²	109.4	43%	0.434	54%	0.535	S	S	.	.	H	α-helix	trans	-64.4	-36.6	170.5	-75.9	0	0	0	0	112.8	R315 K323	R315-S319 WeakPolarHBondContact O-CB 2.81Å; R315-S319 PolarHBondContact O-N 3.16Å; R315-S319 PolarHBondContact O-OG 2.95Å; R315-S319 VanDerWaalsContact O-OG 3.05Å; S319-K323 WeakPolarHBondContact O-CB 3.45Å; S319-K323 VanDerWaalsContact O-CG 3.29Å; S319-K323 WeakPolarHBondContact O-CG 3.45Å; S319-K323 PolarHBondContact O-N 3.34Å
320	R	58.1	Low	57.7	Low	186 Å²	186	110.4 Å²	110.4	70%	0.702	53%	0.534	S	S	*	.	H	α-helix	trans	-66.4	-42.6	172.4	-80.1	179.5	177.7	175.6	0.5	111.3	V316 E318 K323 E324	V316-R320 VanDerWaalsContact O-CB 3.25Å; V316-R320 WeakPolarHBondContact O-CB 3.49Å; V316-R320 VanDerWaalsContact O-CG 3.25Å; V316-R320 WeakPolarHBondContact O-CG 3.07Å; V316-R320 PolarHBondContact O-N 2.89Å; E318-R320 PolarHBondContact O-N 3.07Å; R320-K323 PolarHBondContact O-N 3.39Å; R320-E324 WeakPolarHBondContact O-CB 3.5Å; R320-E324 PolarHBondContact O-N 3.35Å
321	K	61.9	Low	59.8	Low	123 Å²	123	110.4 Å²	110.4	54%	0.535	53%	0.529	S	S	.	.	H	α-helix	trans	-69.3	-31.1	177.2	-165.6	172	-174.8	177.1	0	112.8	K317 E318 R325	K317-K321 VanDerWaalsContact O-CB 3.27Å; K317-K321 WeakPolarHBondContact O-CB 3.44Å; K317-K321 PolarHBondContact O-N 3.39Å; E318-K321 CarbonylContact O-C 3.59Å; E318-K321 PolarHBondContact O-N 3.4Å; K321-R325 WeakPolarHBondContact O-CB 3.5Å; K321-R325 VanDerWaalsContact O-CG 3.29Å; K321-R325 WeakPolarHBondContact O-CG 3.41Å; K321-R325 PolarHBondContact O-N 3.29Å; K321-R325 VanDerWaalsContact O-N 3.08Å
322	S	62.7	Low	61.9	Low	69 Å²	69	118.9 Å²	118.9	48%	0.483	56%	0.555	S	S	.	*	H	α-helix	trans	-72.1	-46.7	174	-161.9	0	0	0	0	111.1	E318 E324 R325 E326	E318-S322 WeakPolarHBondContact O-CB 3.34Å; E318-S322 PolarHBondContact O-N 3.41Å; S322-E324 VanDerWaalsContact C-N 3.3Å; S322-E324 PolarHBondContact O-N 2.92Å; S322-R325 PolarHBondContact O-N 3.21Å; S322-R325 VanDerWaalsContact O-N 3.12Å; S322-E326 WeakPolarHBondContact O-CB 3.38Å; S322-E326 PolarHBondContact O-N 3.47Å
323	K	67.7	Low	63.8	Low	153 Å²	153	114.7 Å²	114.7	67%	0.665	54%	0.543	S	S	*	.	H	α-helix	trans	-62.5	-34.5	174.7	-74	-176.5	176.5	-167.6	0	112.8	S319 R320 S327	S319-K323 WeakPolarHBondContact O-CB 3.45Å; S319-K323 VanDerWaalsContact O-CG 3.29Å; S319-K323 WeakPolarHBondContact O-CG 3.45Å; S319-K323 PolarHBondContact O-N 3.34Å; R320-K323 PolarHBondContact O-N 3.39Å; K323-S327 WeakPolarHBondContact O-CB 3.44Å; K323-S327 PolarHBondContact O-N 2.82Å; K323-S327 PolarHBondContact O-OG 3.16Å
324	E	66.7	Low	65.7	Low	99 Å²	99	111.8 Å²	111.8	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-72	-32.8	174.3	-164.5	-168.6	154.5	0	0	112.5	R320 S322 S327 K328	R320-E324 WeakPolarHBondContact O-CB 3.5Å; R320-E324 PolarHBondContact O-N 3.35Å; S322-E324 VanDerWaalsContact C-N 3.3Å; S322-E324 PolarHBondContact O-N 2.92Å; E324-S327 PolarHBondContact O-OG 3.06Å; E324-K328 HydrophobicContact CG-CD 4.4Å; E324-K328 VanDerWaalsContact O-CB 3.28Å; E324-K328 WeakPolarHBondContact O-CB 3.28Å; E324-K328 VanDerWaalsContact O-CG 3.26Å; E324-K328 WeakPolarHBondContact O-CG 3.39Å; E324-K328 PolarHBondContact O-N 2.8Å; E324-K328 VanDerWaalsContact O-N 3.11Å; E324-K328 WeakPolarHBondContact OE1-CE 3.47Å; E324-K328 IonicContact OE1-NZ 2.68Å; E324-K328 PolarHBondContact OE1-NZ 3Å
325	R	67.6	Low	67.5	Low	171 Å²	171	115.7 Å²	115.7	65%	0.645	55%	0.546	S	S	*	.	H	α-helix	trans	-70.5	-39.8	173.6	-80.3	176.4	171.4	-175.5	-4.3	111.6	K321 S322 K328 S329	K321-R325 WeakPolarHBondContact O-CB 3.5Å; K321-R325 VanDerWaalsContact O-CG 3.29Å; K321-R325 WeakPolarHBondContact O-CG 3.41Å; K321-R325 PolarHBondContact O-N 3.29Å; K321-R325 VanDerWaalsContact O-N 3.08Å; S322-R325 PolarHBondContact O-N 3.21Å; S322-R325 VanDerWaalsContact O-N 3.12Å; R325-K328 PolarHBondContact O-N 3.09Å; R325-S329 PolarHBondContact O-N 3.15Å; R325-S329 PolarHBondContact O-OG 2.82Å; R325-S329 VanDerWaalsContact O-OG 3.12Å
326	E	71.3	Confident	69.3	Low	109 Å²	109	109.3 Å²	109.3	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-65.7	-47.4	177.3	-167.3	168.2	-161.6	0	0	111.5	S322 K328 S329 E330	S322-E326 WeakPolarHBondContact O-CB 3.38Å; S322-E326 PolarHBondContact O-N 3.47Å; E326-K328 VanDerWaalsContact C-N 3.31Å; E326-K328 PolarHBondContact O-N 3.21Å; E326-S329 WeakPolarHBondContact CA-OG 3.4Å; E326-S329 PolarHBondContact O-N 3.02Å; E326-S329 VanDerWaalsContact O-N 3.13Å; E326-S329 PolarHBondContact O-OG 3.35Å; E326-E330 WeakPolarHBondContact O-CG 3.32Å; E326-E330 PolarHBondContact O-N 2.94Å
327	S	72.1	Confident	70.9	Confident	60 Å²	60	112.3 Å²	112.3	42%	0.42	54%	0.542	S	S	.	.	H	α-helix	trans	-65.1	-33.2	175.2	67.5	0	0	0	0	112.9	K323 E324 A331	K323-S327 WeakPolarHBondContact O-CB 3.44Å; K323-S327 PolarHBondContact O-N 2.82Å; K323-S327 PolarHBondContact O-OG 3.16Å; E324-S327 PolarHBondContact O-OG 3.06Å; S327-A331 VanDerWaalsContact O-CB 3.23Å; S327-A331 WeakPolarHBondContact O-CB 3.39Å; S327-A331 PolarHBondContact O-N 2.94Å
328	K	76.5	Confident	72.2	Confident	117 Å²	117	110.1 Å²	110.1	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-71.1	-33.3	172.8	-79.8	173.9	174.6	168	0	112.8	E324 R325 E326 R332	E324-K328 HydrophobicContact CG-CD 4.4Å; E324-K328 VanDerWaalsContact O-CB 3.28Å; E324-K328 WeakPolarHBondContact O-CB 3.28Å; E324-K328 VanDerWaalsContact O-CG 3.26Å; E324-K328 WeakPolarHBondContact O-CG 3.39Å; E324-K328 PolarHBondContact O-N 2.8Å; E324-K328 VanDerWaalsContact O-N 3.11Å; E324-K328 WeakPolarHBondContact OE1-CE 3.47Å; E324-K328 IonicContact OE1-NZ 2.68Å; E324-K328 PolarHBondContact OE1-NZ 3Å; R325-K328 PolarHBondContact O-N 3.09Å; E326-K328 VanDerWaalsContact C-N 3.31Å; E326-K328 PolarHBondContact O-N 3.21Å; K328-R332 WeakPolarHBondContact O-CB 3.42Å; K328-R332 VanDerWaalsContact O-CG 3.27Å; K328-R332 WeakPolarHBondContact O-CG 3.41Å; K328-R332 PolarHBondContact O-N 2.81Å
329	S	75.6	Confident	73.4	Confident	64 Å²	64	113.2 Å²	113.2	45%	0.448	54%	0.539	S	S	.	.	H	α-helix	trans	-72	-42.3	173.3	46.9	0	0	0	0	111.8	R325 E326 A331 R332 E333	R325-S329 PolarHBondContact O-N 3.15Å; R325-S329 PolarHBondContact O-OG 2.82Å; R325-S329 VanDerWaalsContact O-OG 3.12Å; E326-S329 WeakPolarHBondContact CA-OG 3.4Å; E326-S329 PolarHBondContact O-N 3.02Å; E326-S329 VanDerWaalsContact O-N 3.13Å; E326-S329 PolarHBondContact O-OG 3.35Å; S329-A331 PolarHBondContact O-N 2.84Å; S329-R332 PolarHBondContact O-N 3.38Å; S329-R332 VanDerWaalsContact O-N 3.15Å; S329-E333 WeakPolarHBondContact O-CB 3.33Å; S329-E333 PolarHBondContact O-N 3.36Å
330	E	76.1	Confident	74.4	Confident	117 Å²	117	118.5 Å²	118.5	55%	0.547	55%	0.55	S	S	.	.	H	α-helix	trans	-64.3	-39.2	176.2	-71.1	178.5	164.3	0	0	111.9	E326 R332 E333 S334	E326-E330 WeakPolarHBondContact O-CG 3.32Å; E326-E330 PolarHBondContact O-N 2.94Å; E330-R332 VanDerWaalsContact C-N 3.32Å; E330-R332 PolarHBondContact O-N 3Å; E330-E333 PolarHBondContact O-N 3.18Å; E330-S334 WeakPolarHBondContact O-CB 3.5Å; E330-S334 PolarHBondContact O-N 3.37Å; E330-S334 PolarHBondContact O-OG 2.91Å
331	A	78.5	Confident	75.3	Confident	47 Å²	47	112.5 Å²	112.5	39%	0.388	54%	0.536	S	S	.	.	H	α-helix	trans	-67.1	-31.2	174.2	0	0	0	0	0	112.9	S327 S329 S334 K335	S327-A331 VanDerWaalsContact O-CB 3.23Å; S327-A331 WeakPolarHBondContact O-CB 3.39Å; S327-A331 PolarHBondContact O-N 2.94Å; S329-A331 PolarHBondContact O-N 2.84Å; A331-S334 VanDerWaalsContact CA-OG 3.32Å; A331-S334 WeakPolarHBondContact CA-OG 3.26Å; A331-S334 PolarHBondContact O-OG 3.12Å; A331-K335 WeakPolarHBondContact O-CB 3.33Å; A331-K335 WeakPolarHBondContact O-CG 3.43Å; A331-K335 PolarHBondContact O-N 2.91Å
332	R	78.8	Confident	76	Confident	199 Å²	199	112.4 Å²	112.4	75%	0.751	54%	0.536	S	S	*	.	H	α-helix	trans	-75.4	-39.5	173.8	-77.7	175.8	175.5	-167	-1.9	111.5	K328 S329 E330 A336	K328-R332 WeakPolarHBondContact O-CB 3.42Å; K328-R332 VanDerWaalsContact O-CG 3.27Å; K328-R332 WeakPolarHBondContact O-CG 3.41Å; K328-R332 PolarHBondContact O-N 2.81Å; S329-R332 PolarHBondContact O-N 3.38Å; S329-R332 VanDerWaalsContact O-N 3.15Å; E330-R332 VanDerWaalsContact C-N 3.32Å; E330-R332 PolarHBondContact O-N 3Å; R332-A336 WeakPolarHBondContact O-CB 3.32Å; R332-A336 PolarHBondContact O-N 3.47Å
333	E	80.5	Confident	76.5	Confident	104 Å²	104	117.8 Å²	117.8	49%	0.486	55%	0.546	S	S	.	.	H	α-helix	trans	-68.7	-42.5	178.6	-169	-179.6	157.3	0	0	111.8	S329 E330 A336 K337	S329-E333 WeakPolarHBondContact O-CB 3.33Å; S329-E333 PolarHBondContact O-N 3.36Å; E330-E333 PolarHBondContact O-N 3.18Å; E333-A336 PolarHBondContact O-N 3.35Å; E333-K337 HydrophobicContact CG-CD 4.41Å; E333-K337 WeakPolarHBondContact O-CB 3.48Å; E333-K337 WeakPolarHBondContact O-CG 3.31Å; E333-K337 PolarHBondContact O-N 3.43Å; E333-K337 WeakPolarHBondContact OE1-CE 3.38Å; E333-K337 IonicContact OE1-NZ 3.31Å; E333-K337 PolarHBondContact OE1-NZ 3.32Å
334	S	80.1	Confident	76.8	Confident	66 Å²	66	115.5 Å²	115.5	46%	0.462	54%	0.537	S	S	.	.	H	α-helix	trans	-62.2	-43.9	174.5	47.6	0	0	0	0	112.1	E330 A331 A336 K337 E338	E330-S334 WeakPolarHBondContact O-CB 3.5Å; E330-S334 PolarHBondContact O-N 3.37Å; E330-S334 PolarHBondContact O-OG 2.91Å; A331-S334 VanDerWaalsContact CA-OG 3.32Å; A331-S334 WeakPolarHBondContact CA-OG 3.26Å; A331-S334 PolarHBondContact O-OG 3.12Å; S334-A336 VanDerWaalsContact C-N 3.32Å; S334-A336 PolarHBondContact O-N 3.42Å; S334-K337 PolarHBondContact O-N 2.82Å; S334-E338 WeakPolarHBondContact O-CB 3.3Å; S334-E338 PolarHBondContact O-N 3.06Å
335	K	83.7	Confident	77	Confident	146 Å²	146	117.3 Å²	117.3	64%	0.635	55%	0.546	S	S	*	.	H	α-helix	trans	-63.9	-34.3	172.5	-76.6	-178.5	178.8	-177.3	0	113.2	A331 R339	A331-K335 WeakPolarHBondContact O-CB 3.33Å; A331-K335 WeakPolarHBondContact O-CG 3.43Å; A331-K335 PolarHBondContact O-N 2.91Å; K335-R339 WeakPolarHBondContact O-CB 3.18Å; K335-R339 WeakPolarHBondContact O-CG 3.34Å; K335-R339 PolarHBondContact O-N 2.86Å
336	A	82.2	Confident	76.9	Confident	57 Å²	57	111.8 Å²	111.8	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-70.5	-40.8	175.5	0	0	0	0	0	111.7	R332 E333 S334 R339 R340	R332-A336 WeakPolarHBondContact O-CB 3.32Å; R332-A336 PolarHBondContact O-N 3.47Å; E333-A336 PolarHBondContact O-N 3.35Å; S334-A336 VanDerWaalsContact C-N 3.32Å; S334-A336 PolarHBondContact O-N 3.42Å; A336-R339 PolarHBondContact O-N 3.45Å; A336-R340 WeakPolarHBondContact O-CB 3.32Å; A336-R340 PolarHBondContact O-N 3.21Å
337	K	83.5	Confident	76.6	Confident	128 Å²	128	110.6 Å²	110.6	56%	0.557	53%	0.531	S	S	*	.	H	α-helix	trans	-63.6	-43.5	174	-74.7	176.4	-177.4	167.4	0	111.6	E333 S334 R339 R340 S341	E333-K337 HydrophobicContact CG-CD 4.41Å; E333-K337 WeakPolarHBondContact O-CB 3.48Å; E333-K337 WeakPolarHBondContact O-CG 3.31Å; E333-K337 PolarHBondContact O-N 3.43Å; E333-K337 WeakPolarHBondContact OE1-CE 3.38Å; E333-K337 IonicContact OE1-NZ 3.31Å; E333-K337 PolarHBondContact OE1-NZ 3.32Å; S334-K337 PolarHBondContact O-N 2.82Å; K337-R339 PolarHBondContact O-N 3.44Å; K337-R340 PolarHBondContact O-N 3.32Å; K337-S341 PolarHBondContact O-N 2.87Å; K337-S341 PolarHBondContact O-OG 2.84Å
338	E	81.5	Confident	76.2	Confident	96 Å²	96	111.7 Å²	111.7	45%	0.449	54%	0.535	S	S	.	.	H	α-helix	trans	-63.8	-39.6	175.5	-170.9	-170.7	161.3	0	0	112.2	S334 R340 S341 K342	S334-E338 WeakPolarHBondContact O-CB 3.3Å; S334-E338 PolarHBondContact O-N 3.06Å; E338-R340 VanDerWaalsContact C-N 3.32Å; E338-S341 PolarHBondContact O-OG 3.31Å; E338-K342 WeakPolarHBondContact O-CB 3.16Å; E338-K342 WeakPolarHBondContact O-CG 3.27Å; E338-K342 PolarHBondContact O-N 2.74Å; E338-K342 VanDerWaalsContact OE1-CE 3.28Å; E338-K342 WeakPolarHBondContact OE1-CE 3.45Å; E338-K342 IonicContact OE1-NZ 3.32Å; E338-K342 PolarHBondContact OE1-NZ 2.95Å
339	R	80.3	Confident	75.4	Confident	204 Å²	204	115.4 Å²	115.4	77%	0.77	55%	0.546	S	S	*	.	H	α-helix	trans	-65	-37.5	173.3	-81.4	-178.6	157.6	-168.2	-6.6	112.2	K335 A336 K337 R343	K335-R339 WeakPolarHBondContact O-CB 3.18Å; K335-R339 WeakPolarHBondContact O-CG 3.34Å; K335-R339 PolarHBondContact O-N 2.86Å; A336-R339 PolarHBondContact O-N 3.45Å; K337-R339 PolarHBondContact O-N 3.44Å; R339-R343 WeakPolarHBondContact O-CB 3.47Å; R339-R343 PolarHBondContact O-N 3.04Å; R339-R343 VanDerWaalsContact O-N 3.1Å
340	R	78.1	Confident	74.5	Confident	174 Å²	174	118.1 Å²	118.1	66%	0.657	55%	0.551	S	S	*	*	H	α-helix	trans	-68.7	-43.2	177.3	-168.5	175.7	178.8	166.5	5.2	111.4	A336 K337 E338 R343 E344	A336-R340 WeakPolarHBondContact O-CB 3.32Å; A336-R340 PolarHBondContact O-N 3.21Å; K337-R340 PolarHBondContact O-N 3.32Å; E338-R340 VanDerWaalsContact C-N 3.32Å; R340-R343 PolarHBondContact O-N 2.73Å; R340-E344 IonicContact NE-OE1 3.48Å; R340-E344 PolarHBondContact NE-OE1 3.36Å; R340-E344 WeakPolarHBondContact O-CG 3.48Å; R340-E344 PolarHBondContact O-N 3.25Å
341	S	75.9	Confident	73.6	Confident	60 Å²	60	120 Å²	120	42%	0.42	56%	0.558	S	S	.	*	H	α-helix	trans	-64.6	-40.5	176.3	68.3	0	0	0	0	112	K337 E338 R343 E344 E345	K337-S341 PolarHBondContact O-N 2.87Å; K337-S341 PolarHBondContact O-OG 2.84Å; E338-S341 PolarHBondContact O-OG 3.31Å; S341-R343 VanDerWaalsContact C-N 3.28Å; S341-R343 PolarHBondContact O-N 2.75Å; S341-E344 PolarHBondContact O-N 2.86Å; S341-E345 WeakPolarHBondContact O-CB 3.13Å; S341-E345 PolarHBondContact O-N 3.39Å
342	K	76.7	Confident	72.5	Confident	120 Å²	120	125.9 Å²	125.9	52%	0.522	57%	0.574	S	S	.	*	H	α-helix	trans	-63.5	-33.3	174.1	-74.5	178.4	-174.4	172.3	0	112.8	E338 S346	E338-K342 WeakPolarHBondContact O-CB 3.16Å; E338-K342 WeakPolarHBondContact O-CG 3.27Å; E338-K342 PolarHBondContact O-N 2.74Å; E338-K342 VanDerWaalsContact OE1-CE 3.28Å; E338-K342 WeakPolarHBondContact OE1-CE 3.45Å; E338-K342 IonicContact OE1-NZ 3.32Å; E338-K342 PolarHBondContact OE1-NZ 2.95Å; K342-S346 PolarHBondContact O-N 3.04Å; K342-S346 PolarHBondContact O-OG 3.36Å
343	R	73.8	Confident	71.3	Confident	182 Å²	182	120.2 Å²	120.2	69%	0.687	56%	0.562	S	S	*	*	H	α-helix	trans	-74.8	-39.4	176.9	-154.9	177.1	-170	-172.2	2.1	112	R339 R340 S341 E345 S346 D347	R339-R343 WeakPolarHBondContact O-CB 3.47Å; R339-R343 PolarHBondContact O-N 3.04Å; R339-R343 VanDerWaalsContact O-N 3.1Å; R340-R343 PolarHBondContact O-N 2.73Å; S341-R343 VanDerWaalsContact C-N 3.28Å; S341-R343 PolarHBondContact O-N 2.75Å; R343-E345 VanDerWaalsContact C-N 3.33Å; R343-S346 WeakPolarHBondContact CA-OG 3.24Å; R343-S346 PolarHBondContact O-N 2.99Å; R343-S346 PolarHBondContact O-OG 3.3Å; R343-D347 WeakPolarHBondContact O-CB 3.5Å; R343-D347 PolarHBondContact O-N 2.87Å
344	E	72.7	Confident	69.9	Low	105 Å²	105	121.4 Å²	121.4	49%	0.491	57%	0.568	S	S	.	*	H	α-helix	trans	-67.3	-35	172.9	-72.4	172.8	-170	0	0	111.4	R340 S341 T348	R340-E344 IonicContact NE-OE1 3.48Å; R340-E344 PolarHBondContact NE-OE1 3.36Å; R340-E344 WeakPolarHBondContact O-CG 3.48Å; R340-E344 PolarHBondContact O-N 3.25Å; S341-E344 PolarHBondContact O-N 2.86Å; E344-T348 WeakPolarHBondContact O-CB 3.13Å; E344-T348 VanDerWaalsContact O-CG2 3.25Å; E344-T348 WeakPolarHBondContact O-CG2 3.48Å; E344-T348 PolarHBondContact O-N 2.96Å; E344-T348 PolarHBondContact O-OG1 3.31Å
345	E	70.8	Confident	68.6	Low	137 Å²	137	125.9 Å²	125.9	64%	0.64	58%	0.579	S	S	*	*	H	α-helix	trans	-69.1	-38.2	173.1	-168.4	174.2	-175.5	0	0	112.2	S341 R343 T348 R349	S341-E345 WeakPolarHBondContact O-CB 3.13Å; S341-E345 PolarHBondContact O-N 3.39Å; R343-E345 VanDerWaalsContact C-N 3.33Å; E345-T348 WeakPolarHBondContact CA-OG1 3.32Å; E345-T348 PolarHBondContact O-OG1 3.32Å; E345-T348 VanDerWaalsContact O-OG1 3.09Å; E345-R349 WeakPolarHBondContact O-CB 3.2Å; E345-R349 PolarHBondContact O-N 3.48Å
346	S	65.8	Low	66.9	Low	56 Å²	56	120.5 Å²	120.5	39%	0.392	57%	0.565	S	S	.	*	H	α-helix	trans	-67.6	-44.1	172.5	61.1	0	0	0	0	112	K342 R343 T348 R349 E350	K342-S346 PolarHBondContact O-N 3.04Å; K342-S346 PolarHBondContact O-OG 3.36Å; R343-S346 WeakPolarHBondContact CA-OG 3.24Å; R343-S346 PolarHBondContact O-N 2.99Å; R343-S346 PolarHBondContact O-OG 3.3Å; S346-T348 VanDerWaalsContact C-N 3.31Å; S346-T348 PolarHBondContact O-N 2.91Å; S346-R349 PolarHBondContact O-N 3.35Å; S346-R349 VanDerWaalsContact O-N 3.17Å; S346-E350 WeakPolarHBondContact O-CB 3.25Å; S346-E350 PolarHBondContact O-N 2.86Å
347	D	66.2	Low	65.5	Low	84 Å²	84	123 Å²	123	45%	0.449	57%	0.57	S	S	.	*	H	α-helix	trans	-65.7	-34.6	-179.9	-72	-2	0	0	0	111.6	R343 K351	R343-D347 WeakPolarHBondContact O-CB 3.5Å; R343-D347 PolarHBondContact O-N 2.87Å; D347-K351 WeakPolarHBondContact O-CB 3.37Å; D347-K351 PolarHBondContact O-N 2.79Å
348	T	63.7	Low	64	Low	83 Å²	83	122.8 Å²	122.8	51%	0.509	58%	0.575	S	S	.	*	H	α-helix	trans	-75.8	-28.6	175.2	51.9	0	0	0	0	112.9	E344 E345 S346 K352	E344-T348 WeakPolarHBondContact O-CB 3.13Å; E344-T348 VanDerWaalsContact O-CG2 3.25Å; E344-T348 WeakPolarHBondContact O-CG2 3.48Å; E344-T348 PolarHBondContact O-N 2.96Å; E344-T348 PolarHBondContact O-OG1 3.31Å; E345-T348 WeakPolarHBondContact CA-OG1 3.32Å; E345-T348 PolarHBondContact O-OG1 3.32Å; E345-T348 VanDerWaalsContact O-OG1 3.09Å; S346-T348 VanDerWaalsContact C-N 3.31Å; S346-T348 PolarHBondContact O-N 2.91Å; T348-K352 WeakPolarHBondContact O-CB 3.36Å; T348-K352 WeakPolarHBondContact O-CG 3.45Å; T348-K352 PolarHBondContact O-N 2.75Å
349	R	57.9	Low	62.7	Low	195 Å²	195	124 Å²	124	74%	0.736	59%	0.585	S	S	*	*	H	α-helix	trans	-73	-38.8	171.8	-164.9	173.5	-177.3	-180	-0.2	111.3	E345 S346 K352 T353	E345-R349 WeakPolarHBondContact O-CB 3.2Å; E345-R349 PolarHBondContact O-N 3.48Å; S346-R349 PolarHBondContact O-N 3.35Å; S346-R349 VanDerWaalsContact O-N 3.17Å; R349-K352 PolarHBondContact O-N 3.26Å; R349-T353 PolarHBondContact O-N 2.94Å; R349-T353 VanDerWaalsContact O-N 3.11Å; R349-T353 PolarHBondContact O-OG1 3.47Å
350	E	57.2	Low	61.3	Low	120 Å²	120	120.4 Å²	120.4	56%	0.561	58%	0.58	S	S	*	*	H	α-helix	trans	-69.9	-40.7	177.9	-156.4	165.1	-155.4	0	0	111.6	S346 K352 T353 E354	S346-E350 WeakPolarHBondContact O-CB 3.25Å; S346-E350 PolarHBondContact O-N 2.86Å; E350-K352 VanDerWaalsContact C-N 3.32Å; E350-K352 PolarHBondContact O-N 3.29Å; E350-T353 WeakPolarHBondContact CA-OG1 3.22Å; E350-T353 PolarHBondContact O-N 2.83Å; E350-T353 VanDerWaalsContact O-N 3.17Å; E350-T353 PolarHBondContact O-OG1 3.41Å; E350-E354 PolarHBondContact O-N 2.98Å
351	K	56.7	Low	60.1	Low	157 Å²	157	120 Å²	120	68%	0.683	59%	0.585	S	S	*	*	H	α-helix	trans	-65.8	-29.4	171	-101.5	178	176.2	171.2	0	114.2	D347 K355	D347-K351 WeakPolarHBondContact O-CB 3.37Å; D347-K351 PolarHBondContact O-N 2.79Å; K351-K355 VanDerWaalsContact O-CB 3.26Å; K351-K355 WeakPolarHBondContact O-CB 3.19Å; K351-K355 PolarHBondContact O-N 3.36Å; K351-K355 VanDerWaalsContact O-N 3.14Å
352	K	56.2	Low	58.9	Low	170 Å²	170	124 Å²	124	74%	0.739	60%	0.602	S	S	*	*	H	α-helix	trans	-75.6	-26	174.1	-83.7	-178.9	177.7	178.8	0	112.2	T348 R349 E350 G356	T348-K352 WeakPolarHBondContact O-CB 3.36Å; T348-K352 WeakPolarHBondContact O-CG 3.45Å; T348-K352 PolarHBondContact O-N 2.75Å; R349-K352 PolarHBondContact O-N 3.26Å; E350-K352 VanDerWaalsContact C-N 3.32Å; E350-K352 PolarHBondContact O-N 3.29Å; K352-G356 PolarHBondContact O-N 3.27Å
353	T	53.5	Low	57.7	Low	81 Å²	81	129.6 Å²	129.6	50%	0.497	62%	0.62	S	S	.	*	H	α-helix	trans	-82.8	-33.4	174.3	44.8	0	0	0	0	113.1	R349 E350 N357	R349-T353 PolarHBondContact O-N 2.94Å; R349-T353 VanDerWaalsContact O-N 3.11Å; R349-T353 PolarHBondContact O-OG1 3.47Å; E350-T353 WeakPolarHBondContact CA-OG1 3.22Å; E350-T353 PolarHBondContact O-N 2.83Å; E350-T353 VanDerWaalsContact O-N 3.17Å; E350-T353 PolarHBondContact O-OG1 3.41Å; T353-N357 PolarHBondContact O-ND2 3.04Å
354	E	52.3	Low	56.5	Low	128 Å²	128	126.3 Å²	126.3	60%	0.598	63%	0.625	S	S	*	*	H	α-helix	trans	-70.8	-44.9	172.4	-83.8	-177	149.3	0	0	111.7	E350 G356 N357 D358	E350-E354 PolarHBondContact O-N 2.98Å; E354-G356 PolarHBondContact O-N 3.06Å; E354-G356 VanDerWaalsContact O-N 3.16Å; E354-N357 PolarHBondContact O-N 3.06Å; E354-N357 VanDerWaalsContact O-N 3.11Å; E354-D358 PolarHBondContact O-N 3.44Å
355	K	52.7	Low	55.4	Low	160 Å²	160	123.8 Å²	123.8	70%	0.696	63%	0.627	S	S	*	*	H	α-helix	trans	-70.9	-12.5	-179.7	-150.8	172.6	-172.7	-179.5	0	114.1	K351	K351-K355 VanDerWaalsContact O-CB 3.26Å; K351-K355 WeakPolarHBondContact O-CB 3.19Å; K351-K355 PolarHBondContact O-N 3.36Å; K351-K355 VanDerWaalsContact O-N 3.14Å
356	G	48	Very low	54.5	Low	33 Å²	33	126.5 Å²	126.5	34%	0.34	64%	0.637	S	S	.	*	H	α-helix	trans	-90.1	-15.1	173.6	0	0	0	0	0	114.2	K352 E354 I360	K352-G356 PolarHBondContact O-N 3.27Å; E354-G356 PolarHBondContact O-N 3.06Å; E354-G356 VanDerWaalsContact O-N 3.16Å; G356-I360 WeakPolarHBondContact O-CD1 3.46Å
357	N	52	Low	53.8	Low	110 Å²	110	133 Å²	133	59%	0.588	66%	0.658	S	S	*	*	H	α-helix	trans	-98.6	-28.1	-179.3	-73.1	-19	0	0	0	112.3	T353 E354 D359	T353-N357 PolarHBondContact O-ND2 3.04Å; E354-N357 PolarHBondContact O-N 3.06Å; E354-N357 VanDerWaalsContact O-N 3.11Å; N357-D359 VanDerWaalsContact C-N 3.32Å; N357-D359 PolarHBondContact O-N 3.49Å
358	D	52.6	Low	53.1	Low	123 Å²	123	140 Å²	140	66%	0.658	68%	0.678	S	S	*	*	H	α-helix	trans	-74.3	-21.1	176.2	-64.5	-30.8	0	0	0	113.4	E354	E354-D358 PolarHBondContact O-N 3.44Å
359	D	53	Low	52.4	Low	122 Å²	122	145.8 Å²	145.8	65%	0.652	70%	0.696	S	S	*	*	H	α-helix	trans	-88.9	-1.9	178.9	-79.1	-33.3	0	0	0	113.9	N357	N357-D359 VanDerWaalsContact C-N 3.32Å; N357-D359 PolarHBondContact O-N 3.49Å
360	I	51.4	Low	52.1	Low	128 Å²	128	146 Å²	146	66%	0.656	70%	0.702	S	S	*	*	H	α-helix	trans	-103.2	-23.5	-179.3	-64.2	177.7	0	0	0	112.5	G356	G356-I360 WeakPolarHBondContact O-CD1 3.46Å
361	E	52.4	Low	51.8	Low	165 Å²	165	149.4 Å²	149.4	77%	0.771	72%	0.718	S	S	*	*	H	α-helix	trans	-89	-18.7	-178	-70.9	-164.5	153.1	0	0	115.1
362	D	51.2	Low	51.5	Low	145 Å²	145	151.1 Å²	151.1	78%	0.775	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	7.5	-176.6	-151.3	20.6	0	0	0	114.8
363	R	50.6	Low	51.2	Low	237 Å²	237	148.5 Å²	148.5	89%	0.894	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-1.4	175.2	-91.7	-176	-177.5	168.2	4.3	115.3
364	S	50	Low	51	Low	113 Å²	113	148.7 Å²	148.7	79%	0.79	73%	0.729	S	S	*	*	S	Bend	trans	-93.2	-9.1	-175.8	76.4	0	0	0	0	115.1
365	G	48.7	Very low	51	Low	52 Å²	52	150.3 Å²	150.3	54%	0.536	74%	0.736	S	S	.	*	S	Bend	trans	-135.1	67.6	-168	0	0	0	0	0	114.4
366	K	51.6	Low	51	Low	195 Å²	195	149.9 Å²	149.9	85%	0.848	74%	0.736	S	S	*	*			trans	169.1	94.4	156.7	-90.9	143.6	-163	171	0	110.2
367	K	52.9	Low	51.2	Low	192 Å²	192	156 Å²	156	84%	0.835	76%	0.756	S	S	*	*			trans	-179.8	117.8	140.7	-101.3	158.1	-174	177.7	0	112.5
368	R	50.2	Low	51.2	Low	230 Å²	230	155 Å²	155	87%	0.868	76%	0.757	S	S	*	*			trans	76.3	101	143.1	-55.5	168.4	107.7	167.6	3.8	114.5
369	K	49.8	Very low	51.4	Low	206 Å²	206	154.6 Å²	154.6	90%	0.896	76%	0.755	S	S	*	*				47.2	110.4	55.8	-146.8	173.8	-171.1	174.4	0	112.9
370	K	50.4	Low	51.5	Low	199 Å²	199	157.3 Å²	157.3	87%	0.865	76%	0.756	S	S	*	*			trans	91.8	105	172.3	-78.8	-179.5	167.2	178.3	0	117.7
371	Q	51.8	Low	51.9	Low	191 Å²	191	157.7 Å²	157.7	89%	0.893	76%	0.755	S	S	*	*			trans	164.1	86.5	130.9	-91	173.7	-12.8	0	0	106.3
372	K	49.7	Very low	52.2	Low	193 Å²	193	155.3 Å²	155.3	84%	0.839	75%	0.748	S	S	*	*				52.9	120.7	83.3	-132.9	-162.9	177	179.7	0	114.5
373	T	50	Low	52.5	Low	115 Å²	115	153.9 Å²	153.9	71%	0.706	74%	0.74	S	S	*	*			trans	69.5	138	157.9	68.9	0	0	0	0	117.2
374	S	50.3	Low	53	Low	86 Å²	86	151 Å²	151	60%	0.601	73%	0.734	S	S	*	*			cis	177	159.9	-1.3	46.4	0	0	0	0	107.8
375	H	52.1	Low	53.2	Low	161 Å²	161	151.1 Å²	151.1	75%	0.745	73%	0.732	S	S	*	*			trans	78.1	139.6	161.9	-62.2	5.5	0	0	0	115.8
376	H	52.3	Low	53.7	Low	151 Å²	151	155.6 Å²	155.6	70%	0.699	75%	0.749	S	S	*	*			cis	-159.2	152.8	0	-121.7	-55.8	0	0	0	107.6
377	H	51.5	Low	53.8	Low	163 Å²	163	155.2 Å²	155.2	76%	0.755	77%	0.771	S	S	*	*			trans	-10	147.3	147.4	-98.4	-43.6	0	0	0	116.4
378	S	53.8	Low	53.8	Low	88 Å²	88	153.4 Å²	153.4	62%	0.615	77%	0.768	S	S	*	*			cis	-180	151.5	37.2	27.5	0	0	0	0	108.6
379	D	56.1	Low	54	Low	114 Å²	114	149.4 Å²	149.4	61%	0.61	76%	0.762	S	S	*	*			trans	59.4	138.8	135.5	-60.5	10.8	0	0	0	118.1
380	R	55.1	Low	54.3	Low	179 Å²	179	146.2 Å²	146.2	68%	0.675	76%	0.755	S	S	*	*			cis	-178.5	154.3	13.8	-123.6	179	169.4	112	-9.8	105.3
381	E	59.5	Low	54.5	Low	136 Å²	136	143.1 Å²	143.1	64%	0.636	75%	0.748	S	S	*	*			trans	52.6	136.2	136.1	-69.2	168.1	-159.7	0	0	118.5
382	N	58.6	Low	54.7	Low	116 Å²	116	140.1 Å²	140.1	62%	0.62	74%	0.739	S	S	*	*			cis	-173	157.4	18.1	-111.9	-21.9	0	0	0	107.2
383	D	57.4	Low	55	Low	115 Å²	115	136.6 Å²	136.6	62%	0.615	73%	0.733	S	S	*	*			trans	52.9	142.6	142.5	-61.4	-38.2	0	0	0	120.6
384	K	60.7	Low	55.4	Low	175 Å²	175	138.1 Å²	138.1	76%	0.761	74%	0.735	S	S	*	*			cis	-172.3	153.8	-9	-110.2	170.7	-170.6	174.2	0	103.8
385	P	55.7	Low	55.8	Low	116 Å²	116	142.2 Å²	142.2	75%	0.753	75%	0.745	S	S	*	*			trans	-90	154	175.8	35.7	-29.9	0	0	0	111.1
386	V	59.3	Low	56.1	Low	147 Å²	147	140.6 Å²	140.6	89%	0.891	75%	0.745	S	S	*	*			trans	166	104.2	138.1	168.4	0	0	0	0	108.5
387	S	52.8	Low	56.4	Low	187 Å²	187	139.6 Å²	139.6	100%	1.308	75%	0.749	S	S	*	*				164.3	0	122.7	-171.9	0	0	0	0	110.5

Retrieved 387 of 387 residues in 189.8 ms (Link to these results)

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