A0A5K4E8I5_SCHMA Loading...

Sorting nexin

Involved in several stages of intracellular trafficking.

AlphaFold DB , UniProt , Accession A0A5K4E8I5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 425 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	31.5	Very low	244 Å²	244	142.7 Å²	142.7	100%	1.202	76%	0.759	S	S	*	*				0	96.5	0	-84.4	-180	172.4	0	0	106.4
2	E	30.4	Very low	32.2	Very low	188 Å²	188	136.8 Å²	136.8	88%	0.879	72%	0.719	S	S	*	*			trans	-154	98.6	165	-112.7	163.9	-158.7	0	0	106	I4	E2-I4 PolarHBondContact O-N 3.15Å
3	H	29.1	Very low	32.1	Very low	197 Å²	197	137.2 Å²	137.2	91%	0.912	72%	0.715	S	S	*	*			trans	-65.1	105	174.2	-112.3	-81.3	0	0	0	107.2	G5	H3-G5 VanDerWaalsContact C-N 3.32Å; H3-G5 PolarHBondContact O-N 2.92Å; H3-G5 VanDerWaalsContact O-N 3.07Å
4	I	32.6	Very low	32.4	Very low	160 Å²	160	136.7 Å²	136.7	82%	0.821	71%	0.714	S	S	*	*			trans	-75.8	95.8	166	-57	176	0	0	0	105.3	E2 E6	E2-I4 PolarHBondContact O-N 3.15Å; I4-E6 PolarHBondContact O-N 3.16Å
5	G	31.3	Very low	32.5	Very low	48 Å²	48	134.4 Å²	134.4	50%	0.495	71%	0.708	S	S	.	*			trans	-64.2	113.9	176.4	0	0	0	0	0	110	H3 H7	H3-G5 VanDerWaalsContact C-N 3.32Å; H3-G5 PolarHBondContact O-N 2.92Å; H3-G5 VanDerWaalsContact O-N 3.07Å; G5-H7 PolarHBondContact O-N 3.16Å
6	E	27.5	Very low	32.7	Very low	190 Å²	190	128.6 Å²	128.6	89%	0.888	68%	0.679	S	S	*	*			trans	-62.9	86.9	163.8	-72.7	176.7	159.4	0	0	108.8	I4 S8	I4-E6 PolarHBondContact O-N 3.16Å; E6-S8 PolarHBondContact O-N 3.32Å
7	H	29.4	Very low	32.6	Very low	170 Å²	170	127.5 Å²	127.5	79%	0.787	69%	0.685	S	S	*	*			trans	-76	76.4	161.7	-76	-70.8	0	0	0	108.3	G5 T9	G5-H7 PolarHBondContact O-N 3.16Å; H7-T9 PolarHBondContact O-N 3.02Å
8	S	26.8	Very low	32.7	Very low	115 Å²	115	124.1 Å²	124.1	80%	0.804	67%	0.665	S	S	*	*			trans	-70.6	81	163.1	-168.5	0	0	0	0	107.6	E6 S10	E6-S8 PolarHBondContact O-N 3.32Å; S8-S10 PolarHBondContact O-N 3.25Å
9	T	29.2	Very low	32.4	Very low	118 Å²	118	120.7 Å²	120.7	72%	0.724	66%	0.663	S	S	*	*			trans	-64.1	101.6	172.1	31.7	0	0	0	0	108.4	H7 I11	H7-T9 PolarHBondContact O-N 3.02Å; T9-I11 PolarHBondContact O-N 3.43Å; T9-I11 VanDerWaalsContact O-N 3.12Å
10	S	34.3	Very low	32.3	Very low	67 Å²	67	117.8 Å²	117.8	47%	0.469	66%	0.661	S	S	.	*			trans	-52.1	115.8	168.2	177.1	0	0	0	0	108.7	S8 Y12	S8-S10 PolarHBondContact O-N 3.25Å; S10-Y12 PolarHBondContact O-N 2.91Å
11	I	45.1	Very low	32.7	Very low	73 Å²	73	115 Å²	115	37%	0.374	66%	0.66	S	S	.	*	G	3₁₀ helix	trans	-64.1	-4.5	-176.3	-62.3	158.6	0	0	0	112.1	T9 K139	T9-I11 PolarHBondContact O-N 3.43Å; T9-I11 VanDerWaalsContact O-N 3.12Å; I11-K139 VanDerWaalsContact CD1-CE 3.45Å
12	Y	39.2	Very low	33.5	Very low	71 Å²	71	104.3 Å²	104.3	28%	0.278	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-89.4	1.2	-169.5	-63.8	-70.9	0	0	0	115.8	S10 S54 L120	S10-Y12 PolarHBondContact O-N 2.91Å; Y12-S54 VanDerWaalsContact O-O 3.12Å; Y12-L120 WeakPolarHBondContact OH-CD2 3.42Å
13	H	31.8	Very low	34.6	Very low	143 Å²	143	95.4 Å²	95.4	66%	0.662	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-96.6	18.5	-174.9	-77.1	-58	0	0	0	116.6	T15	H13-T15 PolarHBondContact O-N 3.12Å
14	D	36	Very low	36	Very low	130 Å²	130	86.3 Å²	86.3	70%	0.695	53%	0.525	S	S	*	.			trans	-81.6	106.6	175.5	-74	-14.5	0	0	0	111.2	V16	D14-V16 PolarHBondContact O-N 2.92Å; D14-V16 VanDerWaalsContact O-N 3.1Å
15	T	33.2	Very low	36.7	Very low	102 Å²	102	79 Å²	79	63%	0.626	49%	0.488	S	S	*	.			trans	-61.9	104.6	159	41.5	0	0	0	0	108.5	H13 M53	H13-T15 PolarHBondContact O-N 3.12Å; T15-M53 HydrophobicContact CG2-CG 3.7Å; T15-M53 HydrophobicContact CG2-SD 3.73Å
16	V	35.8	Very low	37.5	Very low	42 Å²	42	81.1 Å²	81.1	26%	0.255	49%	0.485	S	S	.	.			trans	-85.7	121.3	179.7	-177.3	0	0	0	0	110.1	D14 I18 L147	D14-V16 PolarHBondContact O-N 2.92Å; D14-V16 VanDerWaalsContact O-N 3.1Å; V16-I18 WeakPolarHBondContact O-CG1 3.29Å; V16-I18 PolarHBondContact O-N 3.3Å; V16-L147 HydrophobicContact CB-CD1 4.38Å; V16-L147 HydrophobicContact CG1-CD1 3.89Å; V16-L147 HydrophobicContact CG2-CD1 3.89Å
17	S	31.7	Very low	38.4	Very low	110 Å²	110	73.1 Å²	73.1	77%	0.769	45%	0.448	S	S	*	.			trans	-65.3	121.3	168.5	-61.1	0	0	0	0	110.8	G19	S17-G19 PolarHBondContact O-N 3.21Å
18	I	34.8	Very low	38.5	Very low	66 Å²	66	70.1 Å²	70.1	34%	0.338	44%	0.443	S	S	.	.			trans	-89.2	96.5	-168.6	-50.9	-171	0	0	0	109.7	V16 I49 V154	V16-I18 WeakPolarHBondContact O-CG1 3.29Å; V16-I18 PolarHBondContact O-N 3.3Å; I18-I49 HydrophobicContact CD1-CG2 4.39Å; I18-V154 HydrophobicContact CD1-CB 4.13Å; I18-V154 HydrophobicContact CD1-CG1 3.45Å; I18-V154 VanDerWaalsContact CD1-CG1 3.45Å; I18-V154 HydrophobicContact CD1-CG2 4.01Å
19	G	26.1	Very low	38.9	Very low	60 Å²	60	67.1 Å²	67.1	62%	0.619	42%	0.422	S	S	*	.			trans	-132.6	116.5	163.5	0	0	0	0	0	109	S17	S17-G19 PolarHBondContact O-N 3.21Å
20	G	31.5	Very low	39.4	Very low	61 Å²	61	66.7 Å²	66.7	63%	0.629	41%	0.412	S	S	*	.	S	Bend	trans	172.8	130	176.3	0	0	0	0	0	111.9	S22	G20-S22 PolarHBondContact O-N 3.22Å; G20-S22 VanDerWaalsContact O-N 3.1Å
21	G	38.9	Very low	39.5	Very low	61 Å²	61	65.8 Å²	65.8	63%	0.629	40%	0.403	S	S	*	.			trans	-56.2	113.4	-174.5	0	0	0	0	0	112.5
22	S	49.8	Very low	38.7	Very low	19 Å²	19	73.1 Å²	73.1	13%	0.133	43%	0.426	C	S	.	.			trans	-72.6	135.7	170.7	63.8	0	0	0	0	109.4	G20 F24	G20-S22 PolarHBondContact O-N 3.22Å; G20-S22 VanDerWaalsContact O-N 3.1Å; S22-F24 VanDerWaalsContact C-N 3.25Å
23	S	52.9	Low	38.3	Very low	1 Å²	1	72.2 Å²	72.2	1%	0.007	44%	0.438	C	S	.	.	S	Bend	trans	-70.9	-25.9	163.9	47.8	0	0	0	0	111.6	L306 Y388 N392	S23-L306 WeakPolarHBondContact CB-O 3.23Å; S23-L306 VanDerWaalsContact OG-CD1 3.23Å; S23-L306 WeakPolarHBondContact OG-CD1 3.31Å; S23-L306 PolarHBondContact OG-O 3.36Å; S23-Y388 WeakPolarHBondContact O-CE2 3.25Å; S23-Y388 PolarHBondContact O-OH 3.43Å; S23-N392 PolarHBondContact O-ND2 3.19Å; S23-N392 PolarHBondContact O-OD1 2.88Å
24	F	58.6	Low	38.5	Very low	5 Å²	5	73.5 Å²	73.5	2%	0.022	44%	0.438	C	S	.	.	S	Bend	trans	-58.3	154	179.3	-57.1	-71.6	0	0	0	113.6	S22 Q26 K152 A155 M156 V159 D310 Y314 Y388	S22-F24 VanDerWaalsContact C-N 3.25Å; F24-Q26 PolarHBondContact O-N 3.5Å; F24-K152 HydrophobicContact CE2-CG 3.79Å; F24-K152 HydrophobicContact CZ-CG 3.82Å; F24-A155 HydrophobicContact CD2-CB 3.68Å; F24-A155 HydrophobicContact CE2-CB 4.17Å; F24-M156 HydrophobicContact CD1-CG 3.9Å; F24-M156 HydrophobicContact CD2-CG 3.89Å; F24-M156 HydrophobicContact CE1-CE 3.94Å; F24-M156 HydrophobicContact CE1-CG 3.44Å; F24-M156 VanDerWaalsContact CE1-CG 3.44Å; F24-M156 HydrophobicContact CE1-SD 3.8Å; F24-M156 HydrophobicContact CE2-CG 3.42Å; F24-M156 VanDerWaalsContact CE2-CG 3.42Å; F24-M156 HydrophobicContact CE2-SD 4.31Å; F24-M156 HydrophobicContact CG-CG 4.11Å; F24-M156 HydrophobicContact CZ-CE 4.32Å; F24-M156 HydrophobicContact CZ-CG 3.19Å; F24-M156 HydrophobicContact CZ-SD 3.56Å; F24-M156 VanDerWaalsContact CZ-SD 3.56Å; F24-V159 HydrophobicContact CB-CB 4.26Å; F24-V159 HydrophobicContact CB-CG1 4.49Å; F24-V159 HydrophobicContact CB-CG2 3.53Å; F24-D310 HydrophobicContact CE1-CB 4.14Å; F24-D310 HydrophobicContact CZ-CB 4.13Å; F24-Y314 HydrophobicContact CD1-CD2 4.25Å; F24-Y388 WeakPolarHBondContact CA-OH 3.34Å; F24-Y388 PolarHBondContact N-OH 3.39Å
25	P	46	Very low	38.4	Very low	8 Å²	8	71.7 Å²	71.7	5%	0.052	44%	0.435	C	S	.	.			trans	-56.1	107.8	-174	-21.3	29.9	0	0	0	110.1	F27 V159 Y314 Y388	P25-F27 HydrophobicContact CB-CE2 3.76Å; P25-F27 HydrophobicContact CB-CZ 3.67Å; P25-F27 HydrophobicContact CG-CZ 4.48Å; P25-F27 WeakPolarHBondContact O-CD2 3.37Å; P25-F27 WeakPolarHBondContact O-CE2 3.45Å; P25-F27 PolarHBondContact O-N 2.88Å; P25-V159 VanDerWaalsContact O-CG2 3.23Å; P25-V159 WeakPolarHBondContact O-CG2 3.47Å; P25-Y314 HydrophobicContact CG-CD1 4.09Å; P25-Y314 HydrophobicContact CG-CE1 3.59Å; P25-Y314 HydrophobicContact CG-CE2 4.25Å; P25-Y388 VanDerWaalsContact CA-CD2 3.42Å; P25-Y388 HydrophobicContact CB-CD2 3.68Å; P25-Y388 HydrophobicContact CB-CE2 3.83Å; P25-Y388 HydrophobicContact CB-CG 4.34Å; P25-Y388 VanDerWaalsContact CD-CE2 3.46Å; P25-Y388 VanDerWaalsContact CD-CZ 3.45Å; P25-Y388 HydrophobicContact CG-CD1 4.38Å; P25-Y388 HydrophobicContact CG-CD2 3.65Å; P25-Y388 HydrophobicContact CG-CE1 4.15Å; P25-Y388 HydrophobicContact CG-CE2 3.55Å; P25-Y388 HydrophobicContact CG-CG 4.02Å
26	Q	49.4	Very low	38.7	Very low	92 Å²	92	74.8 Å²	74.8	43%	0.43	45%	0.448	S	S	.	.			trans	-73.4	102.8	169	-76.2	179.2	-26.1	0	0	106.1	F24	F24-Q26 PolarHBondContact O-N 3.5Å
27	F	45.8	Very low	38.8	Very low	22 Å²	22	79 Å²	79	10%	0.096	47%	0.474	C	S	.	.			trans	-61.3	151.5	163.7	-62.7	-78.1	0	0	0	107.1	P25 S29 V159 Q162 R163	P25-F27 HydrophobicContact CB-CE2 3.76Å; P25-F27 HydrophobicContact CB-CZ 3.67Å; P25-F27 HydrophobicContact CG-CZ 4.48Å; P25-F27 WeakPolarHBondContact O-CD2 3.37Å; P25-F27 WeakPolarHBondContact O-CE2 3.45Å; P25-F27 PolarHBondContact O-N 2.88Å; F27-S29 PolarHBondContact O-N 3.1Å; F27-V159 HydrophobicContact CE2-CG1 4.05Å; F27-V159 HydrophobicContact CE2-CG2 4.46Å; F27-Q162 HydrophobicContact CB-CB 4.2Å; F27-Q162 HydrophobicContact CD2-CB 3.77Å; F27-Q162 HydrophobicContact CG-CB 4.23Å; F27-R163 HydrophobicContact CD1-CG 4.38Å; F27-R163 HydrophobicContact CD2-CG 4.01Å; F27-R163 HydrophobicContact CE1-CG 3.67Å; F27-R163 HydrophobicContact CE2-CB 4.49Å; F27-R163 HydrophobicContact CE2-CG 3.24Å; F27-R163 HydrophobicContact CZ-CB 4.44Å; F27-R163 HydrophobicContact CZ-CG 3.06Å
28	P	31.9	Very low	39.4	Very low	106 Å²	106	78 Å²	78	69%	0.688	46%	0.463	S	S	*	.			trans	-58.2	89.5	163	25	-29.4	0	0	0	106.9	Q30	P28-Q30 PolarHBondContact O-N 2.93Å; P28-Q30 VanDerWaalsContact O-N 3.15Å
29	S	35.5	Very low	40.2	Very low	52 Å²	52	79.8 Å²	79.8	36%	0.364	47%	0.473	S	S	.	.			trans	-51.7	120.1	150.5	57.6	0	0	0	0	102.9	F27 V31	F27-S29 PolarHBondContact O-N 3.1Å; S29-V31 PolarHBondContact O-N 3.36Å
30	Q	39.3	Very low	41.6	Very low	110 Å²	110	83.4 Å²	83.4	51%	0.514	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	12.6	166.5	-72.5	-174.9	-38.3	0	0	112.2	P28	P28-Q30 PolarHBondContact O-N 2.93Å; P28-Q30 VanDerWaalsContact O-N 3.15Å
31	V	35.5	Very low	43	Very low	48 Å²	48	84.8 Å²	84.8	29%	0.291	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-4.4	-162.1	-165.4	0	0	0	0	112.9	S29 G33 A46	S29-V31 PolarHBondContact O-N 3.36Å; V31-G33 PolarHBondContact O-N 3.23Å; V31-A46 HydrophobicContact CG2-CB 4.14Å
32	R	29.9	Very low	45	Very low	226 Å²	226	84.7 Å²	84.7	85%	0.853	48%	0.475	S	S	*	.	S	Bend	trans	-83.3	83.4	171.9	-107.7	-168.5	-157.7	-154.4	6	111.6
33	G	30.1	Very low	46.9	Very low	52 Å²	52	88.1 Å²	88.1	54%	0.536	49%	0.489	S	S	.	.	S	Bend	trans	88.5	104.6	179.7	0	0	0	0	0	109.6	V31 S35	V31-G33 PolarHBondContact O-N 3.23Å; G33-S35 PolarHBondContact O-N 3.09Å
34	W	35.9	Very low	48.8	Very low	170 Å²	170	89.1 Å²	89.1	64%	0.644	50%	0.496	S	S	*	.			trans	-66.7	71.8	170.4	-66	26.4	0	0	0	108.2	D36 K66	W34-D36 PolarHBondContact O-N 3.45Å; W34-K66 HydrophobicContact CH2-CD 4.14Å; W34-K66 HydrophobicContact CZ2-CD 4.14Å
35	S	33.9	Very low	50.6	Low	93 Å²	93	89.6 Å²	89.6	65%	0.65	50%	0.499	S	S	*	.			trans	-76.2	111.3	162.9	56.2	0	0	0	0	105.9	G33 V37	G33-S35 PolarHBondContact O-N 3.09Å; S35-V37 PolarHBondContact O-N 3.41Å
36	D	40.5	Very low	53	Low	166 Å²	166	90.2 Å²	90.2	89%	0.888	51%	0.505	S	S	*	.	S	Bend	trans	-69.4	45.2	-176.5	-145.1	10.8	0	0	0	112.5	W34	W34-D36 PolarHBondContact O-N 3.45Å
37	V	36.5	Very low	55.3	Low	132 Å²	132	86.2 Å²	86.2	80%	0.8	49%	0.487	S	S	*	.			trans	-131.7	57.6	179.5	-163.3	0	0	0	0	108.4	S35	S35-V37 PolarHBondContact O-N 3.41Å
38	T	44.6	Very low	57.7	Low	87 Å²	87	88.6 Å²	88.6	53%	0.534	50%	0.498	S	S	.	.	S	Bend	trans	-105.4	135.4	154.9	28.2	0	0	0	0	106.9
39	D	52.5	Low	60.8	Low	105 Å²	105	83.8 Å²	83.8	56%	0.561	47%	0.466	S	S	*	.			trans	-47.3	123	173.2	-177.1	-20.5	0	0	0	108.4	S41 S42	D39-S41 PolarHBondContact O-N 2.9Å; D39-S41 WeakPolarHBondContact OD1-CB 3.32Å; D39-S41 PolarHBondContact OD1-N 3.48Å; D39-S41 PolarHBondContact OD1-OG 3.4Å; D39-S41 PolarHBondContact OD2-OG 3.33Å; D39-S42 VanDerWaalsContact O-CB 3.29Å; D39-S42 WeakPolarHBondContact O-CB 3.46Å; D39-S42 PolarHBondContact O-N 3.01Å
40	P	54.4	Low	63.5	Low	135 Å²	135	83.6 Å²	83.6	88%	0.877	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.8	-178.1	22.4	-32.3	0	0	0	113.3
41	S	61.6	Low	66	Low	91 Å²	91	79.1 Å²	79.1	64%	0.636	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.9	171.5	69.1	0	0	0	0	114.7	D39 E43	D39-S41 PolarHBondContact O-N 2.9Å; D39-S41 WeakPolarHBondContact OD1-CB 3.32Å; D39-S41 PolarHBondContact OD1-N 3.48Å; D39-S41 PolarHBondContact OD1-OG 3.4Å; D39-S41 PolarHBondContact OD2-OG 3.33Å; S41-E43 PolarHBondContact O-N 3Å
42	S	81	Confident	68.8	Low	58 Å²	58	77 Å²	77	41%	0.406	44%	0.437	S	S	.	.			trans	-83	107.9	-177.2	-162.7	0	0	0	0	111.6	D39 S44 T68	D39-S42 VanDerWaalsContact O-CB 3.29Å; D39-S42 WeakPolarHBondContact O-CB 3.46Å; D39-S42 PolarHBondContact O-N 3.01Å; S42-S44 PolarHBondContact O-N 2.9Å; S42-T68 PolarHBondContact O-OG1 3.39Å; S42-T68 VanDerWaalsContact O-OG1 3.07Å
43	E	89	Confident	71.7	Confident	91 Å²	91	70.2 Å²	70.2	43%	0.425	42%	0.415	S	S	.	.			trans	-65	112.5	172.2	-75.1	-177.6	179.5	0	0	111.9	S41 T68 L69 K171 H172	S41-E43 PolarHBondContact O-N 3Å; E43-T68 WeakPolarHBondContact CA-OG1 3.35Å; E43-L69 HydrophobicContact CB-CD2 3.78Å; E43-L69 HydrophobicContact CG-CD2 4.07Å; E43-K171 PolarHBondContact O-NZ 3.21Å; E43-H172 IonicContact OE2-CE1 2.69Å; E43-H172 PolarHBondContact OE2-CE1 3.34Å; E43-H172 VanDerWaalsContact OE2-CE1 3.28Å; E43-H172 IonicContact OE2-NE2 3.15Å
44	S	92.7	Very high	74.2	Confident	22 Å²	22	68 Å²	68	15%	0.154	39%	0.392	C	S	.	.			trans	-122.3	148.7	-179.1	63.1	0	0	0	0	112.8	S42 T67 T68	S42-S44 PolarHBondContact O-N 2.9Å; S44-T67 VanDerWaalsContact O-CA 3.25Å; S44-T67 WeakPolarHBondContact O-CA 3.32Å; S44-T67 WeakPolarHBondContact O-CB 3.43Å; S44-T67 PolarHBondContact O-OG1 3.34Å; S44-T68 PolarHBondContact N-OG1 3.44Å; S44-T68 PolarHBondContact O-N 2.95Å; S44-T68 PolarHBondContact OG-OG1 3.2Å
45	L	97	Very high	76.3	Confident	15 Å²	15	64.3 Å²	64.3	8%	0.079	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	113.7	172	179.1	60	0	0	0	107.6	V47 T65 T67 L69 F72 A165 K171 F176 L180	L45-V47 HydrophobicContact CD1-CG2 4.24Å; L45-V47 HydrophobicContact CG-CG2 4.19Å; L45-T65 HydrophobicContact CD1-CG2 3.61Å; L45-T67 HydrophobicContact CD1-CG2 4.46Å; L45-L69 HydrophobicContact CB-CD1 3.92Å; L45-L69 HydrophobicContact CD2-CD1 4.14Å; L45-L69 HydrophobicContact CG-CD1 4.44Å; L45-F72 HydrophobicContact CD1-CE1 4.5Å; L45-F72 HydrophobicContact CD1-CE2 4.24Å; L45-F72 HydrophobicContact CD1-CZ 3.87Å; L45-F72 HydrophobicContact CD2-CZ 4.39Å; L45-A165 HydrophobicContact CB-CB 4.42Å; L45-A165 HydrophobicContact CD2-CB 4.05Å; L45-A165 HydrophobicContact CG-CB 3.92Å; L45-K171 HydrophobicContact CD2-CB 4.02Å; L45-F176 HydrophobicContact CD2-CD1 4.36Å; L45-F176 HydrophobicContact CD2-CE1 3.81Å; L45-L180 HydrophobicContact CD1-CD1 4.23Å; L45-L180 HydrophobicContact CD2-CD1 4.18Å
46	A	96.7	Very high	78.4	Confident	21 Å²	21	67.4 Å²	67.4	17%	0.174	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.1	176.4	0	0	0	0	0	109	V31 T65 K66	V31-A46 HydrophobicContact CG2-CB 4.14Å; A46-T65 WeakPolarHBondContact O-CA 3.4Å; A46-K66 PolarHBondContact N-O 3.2Å; A46-K66 PolarHBondContact O-N 2.88Å
47	V	96.7	Very high	80.1	Confident	8 Å²	8	63.9 Å²	63.9	5%	0.048	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.4	-178.5	-174.3	0	0	0	0	108.9	L45 I63 H64 T65 L161 Q162 A165 L180	L45-V47 HydrophobicContact CD1-CG2 4.24Å; L45-V47 HydrophobicContact CG-CG2 4.19Å; V47-I63 HydrophobicContact CG1-CG2 3.49Å; V47-I63 VanDerWaalsContact CG1-CG2 3.49Å; V47-H64 WeakPolarHBondContact CA-O 3.14Å; V47-T65 HydrophobicContact CG2-CG2 4.28Å; V47-L161 HydrophobicContact CB-CB 4.39Å; V47-L161 HydrophobicContact CG1-CB 3.84Å; V47-L161 HydrophobicContact CG1-CD1 3.91Å; V47-L161 HydrophobicContact CG1-CG 4.47Å; V47-Q162 WeakPolarHBondContact O-CG 3.45Å; V47-A165 HydrophobicContact CB-CB 4.49Å; V47-A165 HydrophobicContact CG2-CB 3.9Å; V47-L180 HydrophobicContact CG1-CD2 3.84Å; V47-L180 HydrophobicContact CG2-CD1 3.81Å; V47-L180 HydrophobicContact CG2-CD2 4.1Å
48	E	96.9	Very high	82.5	Confident	72 Å²	72	64 Å²	64	34%	0.336	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	157.2	174.7	65.4	179.8	-158.8	0	0	111	I63 H64	E48-I63 WeakPolarHBondContact O-CA 3.49Å; E48-H64 HydrophobicContact CG-CB 3.98Å; E48-H64 PolarHBondContact N-O 2.89Å; E48-H64 PolarHBondContact O-N 2.9Å; E48-H64 IonicContact OE1-CD2 2.78Å
49	I	96.5	Very high	84.7	Confident	5 Å²	5	60 Å²	60	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	98.4	171.9	-62.2	-177	0	0	0	107.8	I18 G51 F61 K62 I63 V154 H157 E158 L161	I18-I49 HydrophobicContact CD1-CG2 4.39Å; I49-G51 VanDerWaalsContact C-N 3.25Å; I49-G51 VanDerWaalsContact CG2-O 3.25Å; I49-G51 WeakPolarHBondContact CG2-O 3.46Å; I49-G51 PolarHBondContact O-N 3.29Å; I49-F61 HydrophobicContact CD1-CB 4.34Å; I49-F61 HydrophobicContact CD1-CD1 3.97Å; I49-F61 HydrophobicContact CD1-CG 4.38Å; I49-F61 HydrophobicContact CG2-CB 4.25Å; I49-F61 HydrophobicContact CG2-CD1 4.24Å; I49-K62 CarbonylContact C-O 3.32Å; I49-K62 WeakPolarHBondContact CA-O 3.41Å; I49-I63 HydrophobicContact CG1-CG1 4.34Å; I49-V154 HydrophobicContact CB-CG1 3.85Å; I49-V154 HydrophobicContact CD1-CG1 4.14Å; I49-V154 HydrophobicContact CG2-CG1 3.55Å; I49-H157 HydrophobicContact CD1-CB 3.62Å; I49-E158 HydrophobicContact CB-CB 4.4Å; I49-E158 HydrophobicContact CD1-CB 3.9Å; I49-E158 HydrophobicContact CG1-CB 3.95Å; I49-E158 HydrophobicContact CG1-CG 4.49Å; I49-E158 PolarHBondContact N-OE2 3.22Å; I49-L161 HydrophobicContact CG1-CD1 4.39Å
50	S	93.2	Very high	86.6	Confident	49 Å²	49	57 Å²	57	34%	0.343	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-18.3	-176.5	61.7	0	0	0	0	113.3	K62	S50-K62 PolarHBondContact N-O 3.32Å; S50-K62 WeakPolarHBondContact OG-CD 3.34Å; S50-K62 WeakPolarHBondContact OG-CG 3.49Å; S50-K62 PolarHBondContact OG-O 3.02Å
51	G	91.9	Very high	88.6	Confident	16 Å²	16	50.6 Å²	50.6	17%	0.165	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	166	173.3	0	0	0	0	0	112.3	I49 K62	I49-G51 VanDerWaalsContact C-N 3.25Å; I49-G51 VanDerWaalsContact CG2-O 3.25Å; I49-G51 WeakPolarHBondContact CG2-O 3.46Å; I49-G51 PolarHBondContact O-N 3.29Å; G51-K62 PolarHBondContact O-N 2.96Å
52	A	93.5	Very high	90.3	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.033	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.1	170.8	0	0	0	0	0	110.2	V59 L60 F61 F150 V154	A52-V59 HydrophobicContact CB-CG1 4.27Å; A52-L60 CarbonylContact C-O 3.59Å; A52-L60 WeakPolarHBondContact CA-O 3.41Å; A52-F61 HydrophobicContact CB-CD1 3.95Å; A52-F61 HydrophobicContact CB-CE1 4.43Å; A52-F150 HydrophobicContact CB-CE1 3.86Å; A52-F150 HydrophobicContact CB-CE2 4.48Å; A52-F150 HydrophobicContact CB-CZ 3.46Å; A52-F150 VanDerWaalsContact CB-CZ 3.46Å; A52-V154 HydrophobicContact CB-CG2 3.61Å
53	M	89.6	Confident	91.1	Very high	82 Å²	82	47.8 Å²	47.8	40%	0.404	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137	177.4	-60.5	-173.2	-55	0	0	109.1	T15 V59 L60	T15-M53 HydrophobicContact CG2-CG 3.7Å; T15-M53 HydrophobicContact CG2-SD 3.73Å; M53-V59 CarbonylContact O-C 3.53Å; M53-V59 WeakPolarHBondContact O-CA 3.46Å; M53-L60 HydrophobicContact CE-CD2 3.82Å; M53-L60 PolarHBondContact N-O 3.47Å; M53-L60 PolarHBondContact O-N 3.13Å
54	S	83.3	Confident	91.5	Very high	7 Å²	7	44.7 Å²	44.7	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.4	171.5	-170.4	0	0	0	0	109.5	Y12 R58 Y146	Y12-S54 VanDerWaalsContact O-O 3.12Å; S54-R58 CarbonylContact C-O 3.5Å; S54-R58 WeakPolarHBondContact CA-O 3.49Å; S54-Y146 WeakPolarHBondContact CB-OH 3.32Å; S54-Y146 PolarHBondContact OG-OH 3.32Å
55	D	79.8	Confident	91.8	Very high	92 Å²	92	43.7 Å²	43.7	49%	0.492	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.3	168.5	179	20.3	0	0	0	108.6	D57 R58	D55-D57 PolarHBondContact O-N 3.09Å; D55-R58 PolarHBondContact N-O 3.13Å; D55-R58 WeakPolarHBondContact O-CA 3.42Å; D55-R58 WeakPolarHBondContact O-CB 3.48Å; D55-R58 PolarHBondContact O-N 3.06Å
56	K	77.9	Confident	91.8	Very high	157 Å²	157	46.6 Å²	46.6	68%	0.683	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	-102.4	-178.1	-63.8	171.2	-176.4	172.9	0	113.7	R117	K56-R117 PolarHBondContact O-NH1 2.78Å
57	D	77.9	Confident	91.9	Very high	93 Å²	93	45.9 Å²	45.9	50%	0.497	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	9	-176	66.4	-40.1	0	0	0	113.1	D55	D55-D57 PolarHBondContact O-N 3.09Å
58	R	85	Confident	91.8	Very high	135 Å²	135	49.4 Å²	49.4	51%	0.509	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.8	-168.8	-77.8	177.5	-169.9	-147	3.6	111.4	S54 D55 M82	S54-R58 CarbonylContact C-O 3.5Å; S54-R58 WeakPolarHBondContact CA-O 3.49Å; D55-R58 PolarHBondContact N-O 3.13Å; D55-R58 WeakPolarHBondContact O-CA 3.42Å; D55-R58 WeakPolarHBondContact O-CB 3.48Å; D55-R58 PolarHBondContact O-N 3.06Å; R58-M82 HydrophobicContact CB-CE 3.4Å; R58-M82 HydrophobicContact CG-CE 3.61Å
59	V	91.3	Very high	91.7	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.4	173.8	-176.8	0	0	0	0	108.9	A52 M53 F61 M82 P111 F113 F150	A52-V59 HydrophobicContact CB-CG1 4.27Å; M53-V59 CarbonylContact O-C 3.53Å; M53-V59 WeakPolarHBondContact O-CA 3.46Å; V59-F61 HydrophobicContact CB-CE2 4.07Å; V59-F61 HydrophobicContact CB-CZ 3.94Å; V59-F61 HydrophobicContact CG1-CD1 4.2Å; V59-F61 HydrophobicContact CG1-CD2 4.39Å; V59-F61 HydrophobicContact CG1-CE1 3.68Å; V59-F61 HydrophobicContact CG1-CE2 3.89Å; V59-F61 HydrophobicContact CG1-CZ 3.5Å; V59-M82 VanDerWaalsContact O-SD 3.32Å; V59-P111 HydrophobicContact CB-CB 4.45Å; V59-P111 HydrophobicContact CB-CG 4.09Å; V59-P111 HydrophobicContact CG2-CB 3.66Å; V59-P111 HydrophobicContact CG2-CG 3.84Å; V59-F113 HydrophobicContact CG2-CE2 3.65Å; V59-F113 HydrophobicContact CG2-CZ 4.11Å; V59-F150 HydrophobicContact CG1-CE2 3.73Å; V59-F150 HydrophobicContact CG1-CZ 4.16Å; V59-F150 HydrophobicContact CG2-CE2 4.18Å
60	L	93.7	Very high	91.6	Very high	42 Å²	42	50.9 Å²	50.9	22%	0.22	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122	174.4	-168.6	70.2	0	0	0	108.8	A52 M53 Q80 M82	A52-L60 CarbonylContact C-O 3.59Å; A52-L60 WeakPolarHBondContact CA-O 3.41Å; M53-L60 HydrophobicContact CE-CD2 3.82Å; M53-L60 PolarHBondContact N-O 3.47Å; M53-L60 PolarHBondContact O-N 3.13Å; L60-Q80 HydrophobicContact CD1-CB 3.93Å; L60-Q80 HydrophobicContact CD2-CB 4.13Å; L60-Q80 HydrophobicContact CD2-CG 4.31Å; L60-Q80 HydrophobicContact CG-CB 4.04Å; L60-M82 HydrophobicContact CB-SD 3.84Å; L60-M82 HydrophobicContact CD1-CG 3.79Å; L60-M82 HydrophobicContact CD1-SD 3.36Å; L60-M82 WeakPolarHBondContact CD1-SD 3.45Å; L60-M82 HydrophobicContact CG-SD 4.22Å
61	F	96	Very high	91.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.8	179.4	-56.2	-85.3	0	0	0	109.1	I49 A52 V59 I63 Q80 R81 F86 P111 T153 V154 H157	I49-F61 HydrophobicContact CD1-CB 4.34Å; I49-F61 HydrophobicContact CD1-CD1 3.97Å; I49-F61 HydrophobicContact CD1-CG 4.38Å; I49-F61 HydrophobicContact CG2-CB 4.25Å; I49-F61 HydrophobicContact CG2-CD1 4.24Å; A52-F61 HydrophobicContact CB-CD1 3.95Å; A52-F61 HydrophobicContact CB-CE1 4.43Å; V59-F61 HydrophobicContact CB-CE2 4.07Å; V59-F61 HydrophobicContact CB-CZ 3.94Å; V59-F61 HydrophobicContact CG1-CD1 4.2Å; V59-F61 HydrophobicContact CG1-CD2 4.39Å; V59-F61 HydrophobicContact CG1-CE1 3.68Å; V59-F61 HydrophobicContact CG1-CE2 3.89Å; V59-F61 HydrophobicContact CG1-CZ 3.5Å; F61-I63 HydrophobicContact CB-CG1 4.48Å; F61-Q80 CarbonylContact O-C 3.57Å; F61-Q80 WeakPolarHBondContact O-CA 3.21Å; F61-R81 WeakPolarHBondContact CD2-O 3.37Å; F61-R81 PolarHBondContact N-O 3.19Å; F61-R81 PolarHBondContact O-N 3.5Å; F61-F86 HydrophobicContact CB-CE2 4.48Å; F61-F86 HydrophobicContact CB-CZ 4.48Å; F61-F86 AromaticContact CD2-CE2 3.71Å; F61-F86 HydrophobicContact CD2-CE2 3.71Å; F61-F86 HydrophobicContact CD2-CZ 4.25Å; F61-F86 HydrophobicContact CE2-CE2 4.29Å; F61-F86 HydrophobicContact CG-CE2 4.28Å; F61-F86 HydrophobicContact CG-CZ 4.41Å; F61-P111 HydrophobicContact CZ-CG 4.41Å; F61-T153 HydrophobicContact CE1-CG2 4.34Å; F61-T153 HydrophobicContact CZ-CG2 4.02Å; F61-V154 HydrophobicContact CD1-CG2 4.24Å; F61-V154 HydrophobicContact CE1-CG2 3.96Å; F61-H157 HydrophobicContact CD1-CB 4.42Å; F61-H157 HydrophobicContact CE1-CB 4.17Å; F61-H157 AromaticContact CE1-CG 3.9Å; F61-H157 AromaticContact CE2-CD2 3.58Å; F61-H157 AromaticContact CE2-NE2 3.7Å; F61-H157 HydrophobicContact CZ-CB 4.37Å; F61-H157 AromaticContact CZ-CD2 3.61Å; F61-H157 AromaticContact CZ-CE1 3.67Å; F61-H157 AromaticContact CZ-CG 3.64Å; F61-H157 AromaticContact CZ-ND1 3.67Å; F61-H157 AromaticContact CZ-NE2 3.65Å
62	K	97	Very high	91.7	Very high	90 Å²	90	53.1 Å²	53.1	39%	0.391	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114.1	168.9	-170.9	-175.9	177	-166.6	0	108	I49 S50 G51 D78 V79	I49-K62 CarbonylContact C-O 3.32Å; I49-K62 WeakPolarHBondContact CA-O 3.41Å; S50-K62 PolarHBondContact N-O 3.32Å; S50-K62 WeakPolarHBondContact OG-CD 3.34Å; S50-K62 WeakPolarHBondContact OG-CG 3.49Å; S50-K62 PolarHBondContact OG-O 3.02Å; G51-K62 PolarHBondContact O-N 2.96Å; K62-D78 VanDerWaalsContact CE-OD1 3.24Å; K62-D78 WeakPolarHBondContact CE-OD1 3.35Å; K62-D78 IonicContact NZ-OD1 3.64Å; K62-V79 WeakPolarHBondContact CA-O 3.33Å
63	I	97.9	Very high	91.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.1	-176.7	-61.2	162.2	0	0	0	107.7	V47 E48 I49 F61 D78 V79 R81 F86 L161 F179 L180	V47-I63 HydrophobicContact CG1-CG2 3.49Å; V47-I63 VanDerWaalsContact CG1-CG2 3.49Å; E48-I63 WeakPolarHBondContact O-CA 3.49Å; I49-I63 HydrophobicContact CG1-CG1 4.34Å; F61-I63 HydrophobicContact CB-CG1 4.48Å; I63-D78 VanDerWaalsContact O-CA 3.31Å; I63-D78 WeakPolarHBondContact O-CA 3.07Å; I63-V79 HydrophobicContact CB-CG2 4.08Å; I63-V79 PolarHBondContact N-O 3.02Å; I63-V79 PolarHBondContact O-N 3.24Å; I63-R81 HydrophobicContact CD1-CB 3.74Å; I63-R81 HydrophobicContact CD1-CG 3.57Å; I63-F86 HydrophobicContact CD1-CZ 4.04Å; I63-L161 HydrophobicContact CD1-CD1 3.76Å; I63-L161 HydrophobicContact CG1-CD1 3.92Å; I63-L161 HydrophobicContact CG2-CD1 4.03Å; I63-F179 HydrophobicContact CD1-CE1 3.56Å; I63-F179 HydrophobicContact CD1-CZ 3.88Å; I63-L180 HydrophobicContact CG2-CD2 3.9Å
64	H	98.1	Very high	91.8	Very high	27 Å²	27	62.3 Å²	62.3	13%	0.125	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.1	173.6	-177	72.7	0	0	0	109	V47 E48 E76 D78	V47-H64 WeakPolarHBondContact CA-O 3.14Å; E48-H64 HydrophobicContact CG-CB 3.98Å; E48-H64 PolarHBondContact N-O 2.89Å; E48-H64 PolarHBondContact O-N 2.9Å; E48-H64 IonicContact OE1-CD2 2.78Å; H64-E76 WeakPolarHBondContact CE1-CG 3.21Å; H64-E76 IonicContact CE1-OE1 3.42Å; H64-E76 PolarHBondContact CE1-OE1 2.81Å; H64-E76 IonicContact NE2-OE1 3.44Å; H64-E76 PolarHBondContact NE2-OE1 3.27Å; H64-D78 WeakPolarHBondContact CB-OD1 3.36Å; H64-D78 IonicContact CG-OD1 2.71Å; H64-D78 IonicContact ND1-OD1 3.2Å; H64-D78 PolarHBondContact ND1-OD1 2.86Å; H64-D78 IonicContact ND1-OD2 2.7Å; H64-D78 PolarHBondContact ND1-OD2 3.06Å
65	T	98.1	Very high	92.4	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.4	-178.5	-58.3	0	0	0	0	109.5	L45 A46 V47 F72 E76 C77 L180	L45-T65 HydrophobicContact CD1-CG2 3.61Å; A46-T65 WeakPolarHBondContact O-CA 3.4Å; V47-T65 HydrophobicContact CG2-CG2 4.28Å; T65-F72 HydrophobicContact CG2-CE1 4.19Å; T65-E76 CarbonylContact O-C 3.46Å; T65-E76 VanDerWaalsContact O-CA 3.25Å; T65-E76 WeakPolarHBondContact O-CA 3.39Å; T65-C77 PolarHBondContact N-O 2.82Å; T65-C77 PolarHBondContact O-N 2.84Å; T65-L180 HydrophobicContact CG2-CB 4.41Å; T65-L180 HydrophobicContact CG2-CD1 4.17Å
66	K	97.8	Very high	93.2	Very high	76 Å²	76	65.9 Å²	65.9	33%	0.33	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.9	170.6	-171.6	179.7	-177.3	-173.3	0	109.8	W34 A46 S75	W34-K66 HydrophobicContact CH2-CD 4.14Å; W34-K66 HydrophobicContact CZ2-CD 4.14Å; A46-K66 PolarHBondContact N-O 3.2Å; A46-K66 PolarHBondContact O-N 2.88Å; K66-S75 CarbonylContact C-O 3.6Å; K66-S75 WeakPolarHBondContact CA-O 3.4Å
67	T	97.3	Very high	94	Very high	6 Å²	6	59 Å²	59	4%	0.037	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	152.4	-173.3	-169.8	0	0	0	0	113.7	S44 L45 L69 F72 S75	S44-T67 VanDerWaalsContact O-CA 3.25Å; S44-T67 WeakPolarHBondContact O-CA 3.32Å; S44-T67 WeakPolarHBondContact O-CB 3.43Å; S44-T67 PolarHBondContact O-OG1 3.34Å; L45-T67 HydrophobicContact CD1-CG2 4.46Å; T67-L69 VanDerWaalsContact OG1-CB 3.32Å; T67-L69 WeakPolarHBondContact OG1-CB 3.38Å; T67-L69 WeakPolarHBondContact OG1-CG 3.39Å; T67-L69 PolarHBondContact OG1-N 2.8Å; T67-F72 HydrophobicContact CG2-CB 3.72Å; T67-F72 HydrophobicContact CG2-CD1 3.93Å; T67-F72 HydrophobicContact CG2-CD2 3.76Å; T67-F72 HydrophobicContact CG2-CE1 4.45Å; T67-F72 HydrophobicContact CG2-CE2 4.31Å; T67-F72 HydrophobicContact CG2-CG 3.54Å; T67-S75 PolarHBondContact N-O 2.9Å; T67-S75 WeakPolarHBondContact O-CA 3.48Å; T67-S75 WeakPolarHBondContact O-CB 3.42Å
68	T	95.8	Very high	94.9	Very high	81 Å²	81	58.1 Å²	58.1	50%	0.497	29%	0.292	S	S	.	.			trans	-107.4	6.8	167	60	0	0	0	0	112.3	S42 E43 S44	S42-T68 PolarHBondContact O-OG1 3.39Å; S42-T68 VanDerWaalsContact O-OG1 3.07Å; E43-T68 WeakPolarHBondContact CA-OG1 3.35Å; S44-T68 PolarHBondContact N-OG1 3.44Å; S44-T68 PolarHBondContact O-N 2.95Å; S44-T68 PolarHBondContact OG-OG1 3.2Å
69	L	94.6	Very high	95.5	Very high	8 Å²	8	52 Å²	52	4%	0.042	27%	0.27	C	S	.	.			trans	-68.8	130.1	178.7	-70.1	171.7	0	0	0	110.6	E43 L45 T67 D71 F72 K171 H172	E43-L69 HydrophobicContact CB-CD2 3.78Å; E43-L69 HydrophobicContact CG-CD2 4.07Å; L45-L69 HydrophobicContact CB-CD1 3.92Å; L45-L69 HydrophobicContact CD2-CD1 4.14Å; L45-L69 HydrophobicContact CG-CD1 4.44Å; T67-L69 VanDerWaalsContact OG1-CB 3.32Å; T67-L69 WeakPolarHBondContact OG1-CB 3.38Å; T67-L69 WeakPolarHBondContact OG1-CG 3.39Å; T67-L69 PolarHBondContact OG1-N 2.8Å; L69-D71 PolarHBondContact O-N 2.9Å; L69-F72 HydrophobicContact CB-CD2 3.85Å; L69-F72 HydrophobicContact CB-CE2 4.2Å; L69-F72 HydrophobicContact CD1-CD2 4.39Å; L69-F72 HydrophobicContact CD1-CE2 3.87Å; L69-F72 PolarHBondContact O-N 3.42Å; L69-K171 WeakPolarHBondContact CD1-O 3.48Å; L69-H172 WeakPolarHBondContact CD2-CE1 3.48Å
70	P	92.9	Very high	95.7	Very high	101 Å²	101	56.7 Å²	56.7	66%	0.656	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.1	-173.6	28.6	-36.3	0	0	0	113.5	F72	P70-F72 VanDerWaalsContact C-N 3.3Å; P70-F72 PolarHBondContact O-N 2.91Å
71	D	92.4	Very high	95.8	Very high	92 Å²	92	54.7 Å²	54.7	49%	0.492	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.5	-178.6	-80.4	-26.4	0	0	0	113.2	L69 R177	L69-D71 PolarHBondContact O-N 2.9Å; D71-R177 VanDerWaalsContact O-CD 3.28Å; D71-R177 WeakPolarHBondContact O-CD 3.38Å; D71-R177 PolarHBondContact O-NH1 3.32Å
72	F	94.9	Very high	95.7	Very high	20 Å²	20	56.4 Å²	56.4	9%	0.088	29%	0.289	C	S	.	.	S	Bend	trans	-84	141.4	174.1	-74.5	-107.6	0	0	0	110.3	L45 T65 T67 L69 P70 Q74 R177 L180 E181	L45-F72 HydrophobicContact CD1-CE1 4.5Å; L45-F72 HydrophobicContact CD1-CE2 4.24Å; L45-F72 HydrophobicContact CD1-CZ 3.87Å; L45-F72 HydrophobicContact CD2-CZ 4.39Å; T65-F72 HydrophobicContact CG2-CE1 4.19Å; T67-F72 HydrophobicContact CG2-CB 3.72Å; T67-F72 HydrophobicContact CG2-CD1 3.93Å; T67-F72 HydrophobicContact CG2-CD2 3.76Å; T67-F72 HydrophobicContact CG2-CE1 4.45Å; T67-F72 HydrophobicContact CG2-CE2 4.31Å; T67-F72 HydrophobicContact CG2-CG 3.54Å; L69-F72 HydrophobicContact CB-CD2 3.85Å; L69-F72 HydrophobicContact CB-CE2 4.2Å; L69-F72 HydrophobicContact CD1-CD2 4.39Å; L69-F72 HydrophobicContact CD1-CE2 3.87Å; L69-F72 PolarHBondContact O-N 3.42Å; P70-F72 VanDerWaalsContact C-N 3.3Å; P70-F72 PolarHBondContact O-N 2.91Å; F72-Q74 VanDerWaalsContact C-N 3.3Å; F72-R177 HydrophobicContact CD1-CG 4.13Å; F72-R177 HydrophobicContact CD2-CG 4.2Å; F72-R177 HydrophobicContact CE1-CG 3.91Å; F72-R177 HydrophobicContact CE2-CB 4.43Å; F72-R177 HydrophobicContact CE2-CG 3.98Å; F72-R177 HydrophobicContact CG-CG 4.28Å; F72-R177 HydrophobicContact CZ-CB 4.17Å; F72-R177 HydrophobicContact CZ-CG 3.83Å; F72-L180 HydrophobicContact CE1-CB 4.11Å; F72-L180 HydrophobicContact CE1-CD1 4.41Å; F72-L180 HydrophobicContact CZ-CD1 4.18Å; F72-E181 HydrophobicContact CD1-CB 4.41Å
73	K	93.4	Very high	95.6	Very high	177 Å²	177	52.9 Å²	52.9	77%	0.77	27%	0.274	S	S	*	.	S	Bend	trans	-68.6	-31.7	176	-61.4	173.7	-172.1	169.3	0	112	E181	K73-E181 WeakPolarHBondContact CB-OE1 3.41Å; K73-E181 WeakPolarHBondContact CD-OE2 3.38Å; K73-E181 WeakPolarHBondContact CE-OE2 3.35Å; K73-E181 PolarHBondContact N-OE1 3.16Å
74	Q	93.5	Very high	95.3	Very high	101 Å²	101	55.6 Å²	55.6	47%	0.472	29%	0.287	S	S	.	.			trans	-131.4	142.4	-178.3	-64.9	176.8	-8.2	0	0	109.3	F72 E76	F72-Q74 VanDerWaalsContact C-N 3.3Å; Q74-E76 PolarHBondContact O-N 2.76Å; Q74-E76 PolarHBondContact OE1-O 3.45Å
75	S	94.5	Very high	95.1	Very high	83 Å²	83	54.7 Å²	54.7	58%	0.58	28%	0.283	S	S	*	.	S	Bend	trans	-71.9	-15.2	175.8	57.1	0	0	0	0	113.1	K66 T67	K66-S75 CarbonylContact C-O 3.6Å; K66-S75 WeakPolarHBondContact CA-O 3.4Å; T67-S75 PolarHBondContact N-O 2.9Å; T67-S75 WeakPolarHBondContact O-CA 3.48Å; T67-S75 WeakPolarHBondContact O-CB 3.42Å
76	E	96.9	Very high	95.1	Very high	91 Å²	91	54.7 Å²	54.7	43%	0.425	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	130.2	-178.5	-166.9	169.8	160.8	0	0	109.1	H64 T65 Q74	H64-E76 WeakPolarHBondContact CE1-CG 3.21Å; H64-E76 IonicContact CE1-OE1 3.42Å; H64-E76 PolarHBondContact CE1-OE1 2.81Å; H64-E76 IonicContact NE2-OE1 3.44Å; H64-E76 PolarHBondContact NE2-OE1 3.27Å; T65-E76 CarbonylContact O-C 3.46Å; T65-E76 VanDerWaalsContact O-CA 3.25Å; T65-E76 WeakPolarHBondContact O-CA 3.39Å; Q74-E76 PolarHBondContact O-N 2.76Å; Q74-E76 PolarHBondContact OE1-O 3.45Å
77	C	95.8	Very high	94.9	Very high	13 Å²	13	53.1 Å²	53.1	9%	0.088	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	158.3	178.5	62.9	0	0	0	0	112	T65 L180	T65-C77 PolarHBondContact N-O 2.82Å; T65-C77 PolarHBondContact O-N 2.84Å; C77-L180 PolarHBondContact SG-O 2.63Å
78	D	96.5	Very high	94.7	Very high	75 Å²	75	56.7 Å²	56.7	40%	0.401	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.4	174.7	-76.2	-81.9	0	0	0	109.7	K62 I63 H64	K62-D78 VanDerWaalsContact CE-OD1 3.24Å; K62-D78 WeakPolarHBondContact CE-OD1 3.35Å; K62-D78 IonicContact NZ-OD1 3.64Å; I63-D78 VanDerWaalsContact O-CA 3.31Å; I63-D78 WeakPolarHBondContact O-CA 3.07Å; H64-D78 WeakPolarHBondContact CB-OD1 3.36Å; H64-D78 IonicContact CG-OD1 2.71Å; H64-D78 IonicContact ND1-OD1 3.2Å; H64-D78 PolarHBondContact ND1-OD1 2.86Å; H64-D78 IonicContact ND1-OD2 2.7Å; H64-D78 PolarHBondContact ND1-OD2 3.06Å
79	V	96.8	Very high	94.7	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	160	174.3	-63.5	0	0	0	0	110.9	K62 I63 R81 L180	K62-V79 WeakPolarHBondContact CA-O 3.33Å; I63-V79 HydrophobicContact CB-CG2 4.08Å; I63-V79 PolarHBondContact N-O 3.02Å; I63-V79 PolarHBondContact O-N 3.24Å; V79-R81 HydrophobicContact CG2-CG 4.37Å; V79-L180 WeakPolarHBondContact CG1-O 3.44Å; V79-L180 VanDerWaalsContact CG2-O 3.32Å; V79-L180 WeakPolarHBondContact CG2-O 3.37Å
80	Q	95.4	Very high	94.8	Very high	102 Å²	102	54 Å²	54	48%	0.477	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.9	174.3	-65.4	-175.5	-29.4	0	0	109.9	L60 F61	L60-Q80 HydrophobicContact CD1-CB 3.93Å; L60-Q80 HydrophobicContact CD2-CB 4.13Å; L60-Q80 HydrophobicContact CD2-CG 4.31Å; L60-Q80 HydrophobicContact CG-CB 4.04Å; F61-Q80 CarbonylContact O-C 3.57Å; F61-Q80 WeakPolarHBondContact O-CA 3.21Å
81	R	96.2	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.3	-179.6	-62.6	-65.6	176.9	-112	0.2	112.6	F61 I63 V79 E85 F86 V178 F179 F182 E184	F61-R81 WeakPolarHBondContact CD2-O 3.37Å; F61-R81 PolarHBondContact N-O 3.19Å; F61-R81 PolarHBondContact O-N 3.5Å; I63-R81 HydrophobicContact CD1-CB 3.74Å; I63-R81 HydrophobicContact CD1-CG 3.57Å; V79-R81 HydrophobicContact CG2-CG 4.37Å; R81-E85 WeakPolarHBondContact CA-OE2 3.47Å; R81-E85 WeakPolarHBondContact CD-OE2 3.15Å; R81-F86 HydrophobicContact CB-CE2 3.94Å; R81-V178 PolarHBondContact NH2-O 3.36Å; R81-F179 HydrophobicContact CB-CE2 4.1Å; R81-F179 HydrophobicContact CB-CZ 3.86Å; R81-F179 HydrophobicContact CG-CD2 4.33Å; R81-F179 HydrophobicContact CG-CE1 4.04Å; R81-F179 HydrophobicContact CG-CE2 3.78Å; R81-F179 HydrophobicContact CG-CZ 3.62Å; R81-F179 PolarHBondContact NE-O 2.93Å; R81-F179 PolarHBondContact NH2-O 2.82Å; R81-F182 PolarHBondContact NH1-O 3.09Å; R81-F182 VanDerWaalsContact NH1-O 3.16Å; R81-F182 PolarHBondContact NH2-O 3.42Å; R81-E184 PolarHBondContact NH1-O 3.03Å; R81-E184 VanDerWaalsContact NH1-O 3.13Å
82	M	94	Very high	94.9	Very high	35 Å²	35	51.6 Å²	51.6	17%	0.172	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	156.6	176	-66.7	-63.8	-68.5	0	0	110.4	R58 V59 L60 E84 E85 F86	R58-M82 HydrophobicContact CB-CE 3.4Å; R58-M82 HydrophobicContact CG-CE 3.61Å; V59-M82 VanDerWaalsContact O-SD 3.32Å; L60-M82 HydrophobicContact CB-SD 3.84Å; L60-M82 HydrophobicContact CD1-CG 3.79Å; L60-M82 HydrophobicContact CD1-SD 3.36Å; L60-M82 WeakPolarHBondContact CD1-SD 3.45Å; L60-M82 HydrophobicContact CG-SD 4.22Å; M82-E84 PolarHBondContact O-N 3.37Å; M82-E84 VanDerWaalsContact O-N 3.15Å; M82-E85 PolarHBondContact N-OE2 2.73Å; M82-E85 WeakPolarHBondContact O-CB 3.13Å; M82-E85 PolarHBondContact O-N 3.05Å; M82-F86 VanDerWaalsContact O-CD2 3.3Å; M82-F86 WeakPolarHBondContact O-CD2 3.32Å
83	H	93.8	Very high	95	Very high	16 Å²	16	50.7 Å²	50.7	7%	0.074	24%	0.244	C	C	.	.	H	α-helix	trans	-51.6	-40	178.2	176.3	67.2	0	0	0	113.2	E85 F86 V87 P108 K110 P111 H157	H83-E85 PolarHBondContact O-N 2.97Å; H83-F86 WeakPolarHBondContact O-CB 3.5Å; H83-F86 PolarHBondContact O-N 3Å; H83-V87 PolarHBondContact O-N 3.33Å; H83-P108 PolarHBondContact CE1-O 3.43Å; H83-P108 VanDerWaalsContact CE1-O 3.26Å; H83-K110 WeakPolarHBondContact NE2-CA 3.17Å; H83-P111 HydrophobicContact CB-CG 4.27Å; H83-H157 AromaticContact CE1-NE2 3.98Å; H83-H157 AromaticContact CG-NE2 3.93Å; H83-H157 AromaticContact ND1-CE1 3.76Å; H83-H157 AromaticContact ND1-NE2 3Å; H83-H157 PolarHBondContact ND1-NE2 3.4Å
84	E	92.5	Very high	94.9	Very high	57 Å²	57	44.2 Å²	44.2	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-59.9	-30.1	178.1	-69.4	70.2	-157.2	0	0	113.1	M82 V87 W88	M82-E84 PolarHBondContact O-N 3.37Å; M82-E84 VanDerWaalsContact O-N 3.15Å; E84-V87 PolarHBondContact O-N 3.45Å; E84-W88 PolarHBondContact O-N 3.33Å
85	E	94.9	Very high	94.8	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-73.9	-30.8	176.2	-67.9	168.7	116.5	0	0	111.9	R81 M82 H83 W88 L89 F179 L186 V188	R81-E85 WeakPolarHBondContact CA-OE2 3.47Å; R81-E85 WeakPolarHBondContact CD-OE2 3.15Å; M82-E85 PolarHBondContact N-OE2 2.73Å; M82-E85 WeakPolarHBondContact O-CB 3.13Å; M82-E85 PolarHBondContact O-N 3.05Å; H83-E85 PolarHBondContact O-N 2.97Å; E85-W88 PolarHBondContact O-N 2.95Å; E85-L89 WeakPolarHBondContact O-CB 3.27Å; E85-L89 PolarHBondContact O-N 3.18Å; E85-F179 HydrophobicContact CB-CD2 4.37Å; E85-F179 HydrophobicContact CB-CE2 3.84Å; E85-L186 HydrophobicContact CB-CD1 4.21Å; E85-L186 HydrophobicContact CG-CB 4.31Å; E85-L186 HydrophobicContact CG-CD1 4.13Å; E85-L186 WeakPolarHBondContact OE1-CB 3.49Å; E85-L186 WeakPolarHBondContact OE1-CG 3.27Å; E85-L186 PolarHBondContact OE1-N 3.47Å; E85-V188 HydrophobicContact CB-CG2 4.3Å; E85-V188 HydrophobicContact CG-CG1 4.37Å; E85-V188 HydrophobicContact CG-CG2 3.38Å
86	F	96.4	Very high	94.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-40.3	171.1	-70.5	-105.9	0	0	0	111.1	F61 I63 R81 M82 H83 L89 H90 P108 H157 F160 L161 F179	F61-F86 HydrophobicContact CB-CE2 4.48Å; F61-F86 HydrophobicContact CB-CZ 4.48Å; F61-F86 AromaticContact CD2-CE2 3.71Å; F61-F86 HydrophobicContact CD2-CE2 3.71Å; F61-F86 HydrophobicContact CD2-CZ 4.25Å; F61-F86 HydrophobicContact CE2-CE2 4.29Å; F61-F86 HydrophobicContact CG-CE2 4.28Å; F61-F86 HydrophobicContact CG-CZ 4.41Å; I63-F86 HydrophobicContact CD1-CZ 4.04Å; R81-F86 HydrophobicContact CB-CE2 3.94Å; M82-F86 VanDerWaalsContact O-CD2 3.3Å; M82-F86 WeakPolarHBondContact O-CD2 3.32Å; H83-F86 WeakPolarHBondContact O-CB 3.5Å; H83-F86 PolarHBondContact O-N 3Å; F86-L89 PolarHBondContact O-N 3.3Å; F86-H90 WeakPolarHBondContact O-CB 3.48Å; F86-H90 PolarHBondContact O-N 2.97Å; F86-P108 HydrophobicContact CD1-CG 4.32Å; F86-H157 HydrophobicContact CD1-CB 4.45Å; F86-H157 AromaticContact CD1-CD2 3.79Å; F86-H157 AromaticContact CD2-CD2 3.75Å; F86-H157 HydrophobicContact CE1-CB 3.81Å; F86-H157 AromaticContact CE1-CD2 3.82Å; F86-H157 AromaticContact CE2-CD2 3.8Å; F86-H157 AromaticContact CG-CD2 3.76Å; F86-H157 HydrophobicContact CZ-CB 4Å; F86-H157 AromaticContact CZ-CD2 3.83Å; F86-F160 AromaticContact CD1-CD1 3.7Å; F86-F160 HydrophobicContact CD1-CD1 3.7Å; F86-F160 HydrophobicContact CD1-CE1 4.04Å; F86-F160 HydrophobicContact CE1-CD1 4.31Å; F86-L161 HydrophobicContact CD1-CD2 4.24Å; F86-L161 HydrophobicContact CE1-CD1 3.82Å; F86-L161 HydrophobicContact CE1-CD2 3.76Å; F86-L161 HydrophobicContact CE1-CG 3.75Å; F86-L161 HydrophobicContact CZ-CD1 4.1Å; F86-F179 HydrophobicContact CD1-CZ 4.11Å; F86-F179 HydrophobicContact CD2-CE2 4.33Å; F86-F179 AromaticContact CD2-CZ 3.97Å; F86-F179 HydrophobicContact CD2-CZ 3.97Å; F86-F179 HydrophobicContact CE1-CZ 4Å; F86-F179 AromaticContact CE2-CZ 3.84Å; F86-F179 HydrophobicContact CE2-CZ 3.84Å; F86-F179 HydrophobicContact CG-CE2 4.46Å; F86-F179 HydrophobicContact CG-CZ 4.1Å; F86-F179 AromaticContact CZ-CZ 3.86Å; F86-F179 HydrophobicContact CZ-CZ 3.86Å
87	V	94.2	Very high	94.4	Very high	44 Å²	44	44.6 Å²	44.6	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-46.1	174.9	-179.8	0	0	0	0	110.3	H83 E84 L89 H90 D91 V107	H83-V87 PolarHBondContact O-N 3.33Å; E84-V87 PolarHBondContact O-N 3.45Å; V87-L89 PolarHBondContact O-N 2.98Å; V87-H90 PolarHBondContact O-N 2.89Å; V87-D91 WeakPolarHBondContact O-CB 3.4Å; V87-D91 PolarHBondContact O-N 3.12Å; V87-V107 HydrophobicContact CB-CG2 4.43Å; V87-V107 HydrophobicContact CG2-CG2 3.92Å
88	W	93.8	Very high	94.3	Very high	80 Å²	80	47.9 Å²	47.9	30%	0.303	24%	0.244	S	C	.	.	H	α-helix	trans	-57.9	-47	175.5	165.8	82.1	0	0	0	112.5	E84 E85 D91 R92 F179 L186 V188	E84-W88 PolarHBondContact O-N 3.33Å; E85-W88 PolarHBondContact O-N 2.95Å; W88-D91 PolarHBondContact O-N 3.43Å; W88-R92 WeakPolarHBondContact O-CB 3.38Å; W88-R92 PolarHBondContact O-N 3.49Å; W88-F179 HydrophobicContact CZ3-CB 4.34Å; W88-F179 HydrophobicContact CZ3-CD2 4.43Å; W88-L186 HydrophobicContact CE3-CD1 4.18Å; W88-L186 HydrophobicContact CZ3-CD1 3.93Å; W88-V188 HydrophobicContact CB-CB 4.13Å; W88-V188 HydrophobicContact CB-CG1 3.6Å; W88-V188 HydrophobicContact CD2-CG1 3.6Å; W88-V188 HydrophobicContact CE3-CG1 4.19Å; W88-V188 HydrophobicContact CG-CB 4.22Å; W88-V188 HydrophobicContact CG-CG1 3.29Å
89	L	96.3	Very high	94.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-47.5	179	175	59.6	0	0	0	110.6	E85 F86 V87 R92 L93 F160 L164 F176 F179	E85-L89 WeakPolarHBondContact O-CB 3.27Å; E85-L89 PolarHBondContact O-N 3.18Å; F86-L89 PolarHBondContact O-N 3.3Å; V87-L89 PolarHBondContact O-N 2.98Å; L89-R92 PolarHBondContact O-N 3.35Å; L89-L93 HydrophobicContact CD1-CD1 4.15Å; L89-L93 HydrophobicContact CD1-CG 4.24Å; L89-L93 HydrophobicContact CG-CD1 4.15Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.49Å; L89-L93 PolarHBondContact O-N 3.45Å; L89-F160 HydrophobicContact CD2-CE1 3.95Å; L89-F160 HydrophobicContact CD2-CZ 4.43Å; L89-F160 HydrophobicContact CG-CE1 4.44Å; L89-F160 HydrophobicContact CG-CZ 4.47Å; L89-L164 HydrophobicContact CD2-CD1 3.9Å; L89-L164 HydrophobicContact CG-CD1 4.4Å; L89-F176 HydrophobicContact CD1-CB 4.19Å; L89-F176 HydrophobicContact CD1-CD2 4.5Å; L89-F176 HydrophobicContact CD2-CD2 3.66Å; L89-F176 HydrophobicContact CD2-CE2 4.23Å; L89-F179 HydrophobicContact CB-CD2 4.18Å; L89-F179 HydrophobicContact CD2-CB 4.09Å; L89-F179 HydrophobicContact CD2-CD1 3.9Å; L89-F179 HydrophobicContact CD2-CD2 3.96Å; L89-F179 HydrophobicContact CD2-CE1 4.31Å; L89-F179 HydrophobicContact CD2-CE2 4.34Å; L89-F179 HydrophobicContact CD2-CG 3.72Å
90	H	95.9	Very high	94.3	Very high	32 Å²	32	45.3 Å²	45.3	15%	0.148	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-49.3	176.7	173.9	-86.1	0	0	0	112.3	F86 V87 R92 L93 V94 P105 V107 F160	F86-H90 WeakPolarHBondContact O-CB 3.48Å; F86-H90 PolarHBondContact O-N 2.97Å; V87-H90 PolarHBondContact O-N 2.89Å; H90-R92 VanDerWaalsContact C-N 3.32Å; H90-R92 PolarHBondContact O-N 2.85Å; H90-L93 PolarHBondContact O-N 2.95Å; H90-L93 VanDerWaalsContact O-N 3.15Å; H90-V94 WeakPolarHBondContact O-CG2 3.39Å; H90-V94 PolarHBondContact O-N 2.92Å; H90-P105 PolarHBondContact CD2-O 3.08Å; H90-V107 HydrophobicContact CB-CB 4.02Å; H90-V107 HydrophobicContact CB-CG2 4.15Å; H90-V107 PolarHBondContact CD2-N 3.33Å; H90-F160 HydrophobicContact CB-CE2 4.29Å; H90-F160 HydrophobicContact CB-CZ 4.09Å
91	D	93.1	Very high	94.3	Very high	39 Å²	39	40.6 Å²	40.6	21%	0.209	21%	0.208	C	C	.	.	H	α-helix	trans	-58.7	-44.9	-179.9	-75.4	-3.5	0	0	0	111	V87 W88 L93 V94 E95 K191	V87-D91 WeakPolarHBondContact O-CB 3.4Å; V87-D91 PolarHBondContact O-N 3.12Å; W88-D91 PolarHBondContact O-N 3.43Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.04Å; D91-V94 PolarHBondContact O-N 3.48Å; D91-E95 WeakPolarHBondContact O-CB 3.49Å; D91-E95 VanDerWaalsContact O-CG 3.31Å; D91-E95 WeakPolarHBondContact O-CG 3.48Å; D91-E95 PolarHBondContact O-N 2.78Å; D91-K191 WeakPolarHBondContact OD2-CE 3.48Å; D91-K191 IonicContact OD2-NZ 2.79Å; D91-K191 PolarHBondContact OD2-NZ 3.01Å
92	R	94.1	Very high	94.4	Very high	104 Å²	104	41.3 Å²	41.3	39%	0.392	21%	0.212	S	C	.	.	H	α-helix	trans	-60.4	-41.5	176.5	-178.1	-178.8	169	93.8	1.6	112.3	W88 L89 H90 N96	W88-R92 WeakPolarHBondContact O-CB 3.38Å; W88-R92 PolarHBondContact O-N 3.49Å; L89-R92 PolarHBondContact O-N 3.35Å; H90-R92 VanDerWaalsContact C-N 3.32Å; H90-R92 PolarHBondContact O-N 2.85Å; R92-N96 WeakPolarHBondContact O-CB 2.95Å; R92-N96 PolarHBondContact O-N 3.22Å; R92-N96 VanDerWaalsContact O-N 3.08Å
93	L	96.3	Very high	94.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-67.6	-40.6	178.4	-68.6	171.6	0	0	0	111.8	L89 H90 D91 N96 Y99 V104 L164 F170 D173	L89-L93 HydrophobicContact CD1-CD1 4.15Å; L89-L93 HydrophobicContact CD1-CG 4.24Å; L89-L93 HydrophobicContact CG-CD1 4.15Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.49Å; L89-L93 PolarHBondContact O-N 3.45Å; H90-L93 PolarHBondContact O-N 2.95Å; H90-L93 VanDerWaalsContact O-N 3.15Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.04Å; L93-N96 PolarHBondContact O-N 2.62Å; L93-Y99 HydrophobicContact CD2-CD2 3.98Å; L93-Y99 HydrophobicContact CD2-CE2 3.64Å; L93-V104 HydrophobicContact CB-CG1 3.84Å; L93-V104 HydrophobicContact CB-CG2 4.28Å; L93-V104 HydrophobicContact CD1-CG1 4.29Å; L93-L164 HydrophobicContact CD1-CD1 3.74Å; L93-L164 HydrophobicContact CD1-CD2 3.58Å; L93-L164 HydrophobicContact CD1-CG 4.33Å; L93-F170 HydrophobicContact CD2-CD1 4.05Å; L93-F170 HydrophobicContact CD2-CE1 4.4Å; L93-D173 HydrophobicContact CD2-CB 4.22Å
94	V	92.7	Very high	94.7	Very high	42 Å²	42	39.1 Å²	39.1	26%	0.255	20%	0.202	S	C	.	.	H	α-helix	trans	-68.5	-38.2	178.4	170.8	0	0	0	0	112	H90 D91 N96 V104	H90-V94 WeakPolarHBondContact O-CG2 3.39Å; H90-V94 PolarHBondContact O-N 2.92Å; D91-V94 PolarHBondContact O-N 3.48Å; V94-N96 VanDerWaalsContact C-N 3.31Å; V94-V104 HydrophobicContact CG2-CB 3.96Å; V94-V104 HydrophobicContact CG2-CG1 3.94Å; V94-V104 HydrophobicContact CG2-CG2 4.08Å
95	E	90.1	Very high	94.9	Very high	143 Å²	143	36.5 Å²	36.5	67%	0.668	19%	0.19	S	C	*	.	H	α-helix	trans	-77.4	-16.2	178.2	-69.9	178.8	173.5	0	0	113.1	D91 D97	D91-E95 WeakPolarHBondContact O-CB 3.49Å; D91-E95 VanDerWaalsContact O-CG 3.31Å; D91-E95 WeakPolarHBondContact O-CG 3.48Å; D91-E95 PolarHBondContact O-N 2.78Å; E95-D97 PolarHBondContact O-N 2.61Å; E95-D97 VanDerWaalsContact O-N 3.15Å
96	N	93.2	Very high	94.8	Very high	49 Å²	49	36.9 Å²	36.9	26%	0.262	19%	0.193	S	C	.	.			trans	-71.5	111.8	177.4	-171.1	-12.5	0	0	0	110.7	R92 L93 V94 A98 Y99	R92-N96 WeakPolarHBondContact O-CB 2.95Å; R92-N96 PolarHBondContact O-N 3.22Å; R92-N96 VanDerWaalsContact O-N 3.08Å; L93-N96 PolarHBondContact O-N 2.62Å; V94-N96 VanDerWaalsContact C-N 3.31Å; N96-A98 PolarHBondContact O-N 3.32Å; N96-A98 WeakPolarHBondContact OD1-CB 3.33Å; N96-A98 PolarHBondContact OD1-N 2.84Å; N96-Y99 HydrophobicContact CB-CD2 3.58Å; N96-Y99 HydrophobicContact CB-CE2 3.97Å; N96-Y99 HydrophobicContact CB-CG 4.22Å; N96-Y99 WeakPolarHBondContact ND2-CE2 3.35Å; N96-Y99 PolarHBondContact O-N 3.46Å
97	D	91.1	Very high	94.6	Very high	91 Å²	91	39.2 Å²	39.2	49%	0.487	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-57.9	-33.2	-178.8	-166.3	64.8	0	0	0	114.1	E95 Y99 A100 R366	E95-D97 PolarHBondContact O-N 2.61Å; E95-D97 VanDerWaalsContact O-N 3.15Å; D97-Y99 PolarHBondContact O-N 3.46Å; D97-Y99 VanDerWaalsContact O-N 3.16Å; D97-A100 WeakPolarHBondContact O-CB 3.36Å; D97-A100 PolarHBondContact O-N 2.97Å; D97-A100 VanDerWaalsContact O-N 3.13Å; D97-R366 IonicContact OD1-CZ 3.87Å; D97-R366 IonicContact OD1-NH1 2.61Å; D97-R366 PolarHBondContact OD1-NH1 3.24Å; D97-R366 IonicContact OD1-NH2 3.14Å; D97-R366 PolarHBondContact OD1-NH2 3.46Å; D97-R366 IonicContact OD2-CZ 3.9Å; D97-R366 IonicContact OD2-NH1 3.9Å; D97-R366 PolarHBondContact OD2-NH1 3.32Å; D97-R366 IonicContact OD2-NH2 3.65Å
98	A	94.1	Very high	94.6	Very high	81 Å²	81	37.4 Å²	37.4	67%	0.669	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-64.6	-18	175.6	0	0	0	0	0	112.9	N96	N96-A98 PolarHBondContact O-N 3.32Å; N96-A98 WeakPolarHBondContact OD1-CB 3.33Å; N96-A98 PolarHBondContact OD1-N 2.84Å
99	Y	96.5	Very high	94.4	Very high	21 Å²	21	36.4 Å²	36.4	8%	0.082	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-103.5	13.3	179.6	-53.7	-27.9	0	0	0	112.6	L93 N96 D97 G101 L102 T169 F170 D173 R328	L93-Y99 HydrophobicContact CD2-CD2 3.98Å; L93-Y99 HydrophobicContact CD2-CE2 3.64Å; N96-Y99 HydrophobicContact CB-CD2 3.58Å; N96-Y99 HydrophobicContact CB-CE2 3.97Å; N96-Y99 HydrophobicContact CB-CG 4.22Å; N96-Y99 WeakPolarHBondContact ND2-CE2 3.35Å; N96-Y99 PolarHBondContact O-N 3.46Å; D97-Y99 PolarHBondContact O-N 3.46Å; D97-Y99 VanDerWaalsContact O-N 3.16Å; Y99-G101 PolarHBondContact O-N 3.32Å; Y99-G101 VanDerWaalsContact O-N 3.17Å; Y99-L102 HydrophobicContact CD1-CD1 3.78Å; Y99-L102 HydrophobicContact CG-CD1 4.2Å; Y99-L102 PolarHBondContact O-N 3.45Å; Y99-T169 HydrophobicContact CD1-CG2 4.12Å; Y99-T169 HydrophobicContact CE1-CG2 3.67Å; Y99-F170 HydrophobicContact CD1-CE1 4.2Å; Y99-F170 HydrophobicContact CD2-CD1 4.08Å; Y99-F170 AromaticContact CD2-CE1 3.68Å; Y99-F170 HydrophobicContact CD2-CE1 3.68Å; Y99-F170 HydrophobicContact CE2-CD1 4.12Å; Y99-F170 HydrophobicContact CE2-CE1 4.2Å; Y99-F170 HydrophobicContact CG-CD1 4.33Å; Y99-F170 AromaticContact CG-CE1 3.7Å; Y99-F170 HydrophobicContact CG-CE1 3.7Å; Y99-D173 HydrophobicContact CE2-CB 4.38Å; Y99-D173 WeakPolarHBondContact OH-CB 2.97Å; Y99-D173 PolarHBondContact OH-OD1 3.37Å; Y99-R328 PolarHBondContact O-NH1 3.09Å
100	A	95.3	Very high	94.2	Very high	6 Å²	6	42.4 Å²	42.4	5%	0.05	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.1	-177.9	0	0	0	0	0	114.1	D97 R328 I370	D97-A100 WeakPolarHBondContact O-CB 3.36Å; D97-A100 PolarHBondContact O-N 2.97Å; D97-A100 VanDerWaalsContact O-N 3.13Å; A100-R328 VanDerWaalsContact CA-NH1 3.35Å; A100-R328 VanDerWaalsContact O-CZ 3.25Å; A100-R328 PolarHBondContact O-NE 3.37Å; A100-R328 PolarHBondContact O-NH1 2.71Å; A100-I370 HydrophobicContact CB-CD1 3.61Å; A100-I370 HydrophobicContact CB-CG1 3.83Å
101	G	97	Very high	93.9	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11.8	175.7	0	0	0	0	0	115.4	Y99 L325 S373 A374	Y99-G101 PolarHBondContact O-N 3.32Å; Y99-G101 VanDerWaalsContact O-N 3.17Å; G101-L325 VanDerWaalsContact O-CD1 3.31Å; G101-L325 WeakPolarHBondContact O-CD1 3.4Å; G101-S373 WeakPolarHBondContact CA-OG 3.49Å; G101-S373 CarbonylContact O-C 3.6Å; G101-S373 VanDerWaalsContact O-C 3.32Å; G101-A374 WeakPolarHBondContact O-CA 3.42Å; G101-A374 PolarHBondContact O-N 2.83Å
102	L	97.9	Very high	93.6	Very high	15 Å²	15	44.3 Å²	44.3	8%	0.079	24%	0.238	C	C	.	.	S	Bend	trans	-113.9	146.9	-178.7	-53.9	-179.8	0	0	0	111.8	Y99 V104 T169 F170 R328	Y99-L102 HydrophobicContact CD1-CD1 3.78Å; Y99-L102 HydrophobicContact CG-CD1 4.2Å; Y99-L102 PolarHBondContact O-N 3.45Å; L102-V104 PolarHBondContact O-N 3.25Å; L102-T169 HydrophobicContact CD1-CG2 4.01Å; L102-F170 HydrophobicContact CB-CE1 4.4Å; L102-F170 HydrophobicContact CB-CE2 4.36Å; L102-F170 HydrophobicContact CB-CZ 3.69Å; L102-F170 HydrophobicContact CD1-CD1 4.49Å; L102-F170 HydrophobicContact CD1-CE1 3.85Å; L102-F170 HydrophobicContact CD1-CZ 3.85Å; L102-F170 HydrophobicContact CG-CZ 4.45Å; L102-R328 PolarHBondContact O-NH2 3.19Å
103	I	97.3	Very high	93.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.			trans	-85.3	98.6	174.2	-64.2	174.9	0	0	0	106.5	P105 A321 A322 L325 E377 L378 F381	I103-P105 WeakPolarHBondContact O-CD 3.25Å; I103-A321 HydrophobicContact CG2-CB 3.76Å; I103-A322 HydrophobicContact CD1-CB 3.76Å; I103-A322 HydrophobicContact CG1-CB 4.46Å; I103-L325 HydrophobicContact CD1-CD1 4.35Å; I103-L325 HydrophobicContact CG1-CB 4.26Å; I103-L325 HydrophobicContact CG1-CD1 3.5Å; I103-E377 HydrophobicContact CB-CG 3.68Å; I103-E377 HydrophobicContact CD1-CG 3.78Å; I103-E377 HydrophobicContact CG1-CB 4.5Å; I103-E377 HydrophobicContact CG1-CG 3.46Å; I103-E377 VanDerWaalsContact CG1-CG 3.46Å; I103-L378 HydrophobicContact CD1-CD2 4.4Å; I103-F381 HydrophobicContact CD1-CB 3.75Å; I103-F381 HydrophobicContact CD1-CD2 4.21Å; I103-F381 HydrophobicContact CD1-CG 4.06Å
104	V	96.8	Very high	92.8	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.03	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-65.1	125	171.7	-176.4	0	0	0	0	107.6	L93 V94 L102 F170 A321	L93-V104 HydrophobicContact CB-CG1 3.84Å; L93-V104 HydrophobicContact CB-CG2 4.28Å; L93-V104 HydrophobicContact CD1-CG1 4.29Å; V94-V104 HydrophobicContact CG2-CB 3.96Å; V94-V104 HydrophobicContact CG2-CG1 3.94Å; V94-V104 HydrophobicContact CG2-CG2 4.08Å; L102-V104 PolarHBondContact O-N 3.25Å; V104-F170 HydrophobicContact CB-CZ 4.49Å; V104-F170 HydrophobicContact CG2-CE1 4.32Å; V104-F170 HydrophobicContact CG2-CZ 3.89Å; V104-A321 WeakPolarHBondContact O-CB 3.17Å
105	P	95.5	Very high	92.3	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.019	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-52.7	140.5	176.1	-27.1	35.9	0	0	0	111	H90 I103 V107 F160 R163 L164	H90-P105 PolarHBondContact CD2-O 3.08Å; I103-P105 WeakPolarHBondContact O-CD 3.25Å; P105-V107 PolarHBondContact O-N 3Å; P105-F160 HydrophobicContact CB-CD2 3.87Å; P105-F160 HydrophobicContact CB-CE2 4.22Å; P105-F160 WeakPolarHBondContact O-CE2 3.47Å; P105-R163 HydrophobicContact CB-CB 3.94Å; P105-R163 HydrophobicContact CG-CB 3.45Å; P105-R163 VanDerWaalsContact CG-CB 3.45Å; P105-R163 HydrophobicContact CG-CG 4.33Å; P105-L164 HydrophobicContact CG-CD2 3.87Å; P105-L164 HydrophobicContact CG-CG 4.4Å
106	P	92.5	Very high	92.1	Very high	17 Å²	17	39.2 Å²	39.2	11%	0.11	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-64.1	140.7	-177.8	28.7	-34	0	0	0	110.4	F160 I317 D318	P106-F160 WeakPolarHBondContact O-CD2 3.25Å; P106-I317 HydrophobicContact CB-CB 4.15Å; P106-I317 HydrophobicContact CB-CG2 3.41Å; P106-I317 VanDerWaalsContact CB-CG2 3.41Å; P106-I317 HydrophobicContact CG-CG2 4.28Å; P106-D318 HydrophobicContact CG-CB 4.43Å
107	V	93.3	Very high	91.6	Very high	48 Å²	48	40.1 Å²	40.1	29%	0.291	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-55.7	134	172.9	66.7	0	0	0	0	110	V87 H90 P105	V87-V107 HydrophobicContact CB-CG2 4.43Å; V87-V107 HydrophobicContact CG2-CG2 3.92Å; H90-V107 HydrophobicContact CB-CB 4.02Å; H90-V107 HydrophobicContact CB-CG2 4.15Å; H90-V107 PolarHBondContact CD2-N 3.33Å; P105-V107 PolarHBondContact O-N 3Å
108	P	93.5	Very high	91.4	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.039	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-54.7	148.1	172.4	-24.7	33.7	0	0	0	110.7	H83 F86 M156 H157 F160	H83-P108 PolarHBondContact CE1-O 3.43Å; H83-P108 VanDerWaalsContact CE1-O 3.26Å; F86-P108 HydrophobicContact CD1-CG 4.32Å; P108-M156 HydrophobicContact CB-CB 4.44Å; P108-H157 HydrophobicContact CG-CB 4.38Å; P108-F160 HydrophobicContact CG-CB 3.65Å; P108-F160 HydrophobicContact CG-CD1 4.43Å; P108-F160 HydrophobicContact CG-CG 3.99Å
109	P	90.8	Very high	91	Very high	60 Å²	60	38 Å²	38	39%	0.39	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-67	149.5	173.9	28.5	-33.9	0	0	0	110.2	M156	P109-M156 VanDerWaalsContact CD-SD 3.58Å; P109-M156 HydrophobicContact CG-CE 3.54Å; P109-M156 HydrophobicContact CG-SD 3.45Å; P109-M156 WeakPolarHBondContact CG-SD 3.19Å
110	K	91.1	Very high	90.5	Very high	125 Å²	125	39.5 Å²	39.5	54%	0.543	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-57.2	132.2	173.6	-172.3	179.2	179.8	-175	0	109.7	H83 D112	H83-K110 WeakPolarHBondContact NE2-CA 3.17Å; K110-D112 PolarHBondContact O-N 3.39Å; K110-D112 VanDerWaalsContact O-N 3.16Å
111	P	89.7	Confident	90	Very high	14 Å²	14	45.1 Å²	45.1	9%	0.091	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-53.5	121.2	170.4	-21.3	29	0	0	0	110.3	V59 F61 H83 F113 T153	V59-P111 HydrophobicContact CB-CB 4.45Å; V59-P111 HydrophobicContact CB-CG 4.09Å; V59-P111 HydrophobicContact CG2-CB 3.66Å; V59-P111 HydrophobicContact CG2-CG 3.84Å; F61-P111 HydrophobicContact CZ-CG 4.41Å; H83-P111 HydrophobicContact CB-CG 4.27Å; P111-F113 HydrophobicContact CB-CD2 4.48Å; P111-F113 HydrophobicContact CB-CE2 3.61Å; P111-F113 HydrophobicContact CB-CZ 4.04Å; P111-T153 HydrophobicContact CB-CG2 3.82Å; P111-T153 HydrophobicContact CG-CG2 3.62Å
112	D	86.8	Confident	89.4	Confident	97 Å²	97	53 Å²	53	52%	0.519	28%	0.275	S	S	.	.			trans	-125	118.7	178.5	-178.2	8.8	0	0	0	109.7	K110 D114	K110-D112 PolarHBondContact O-N 3.39Å; K110-D112 VanDerWaalsContact O-N 3.16Å; D112-D114 WeakPolarHBondContact OD1-CB 3.43Å; D112-D114 PolarHBondContact OD1-N 3.34Å
113	F	86.4	Confident	88.7	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.018	28%	0.277	C	S	.	.			trans	-124.2	16.4	178.9	-51.1	-75.3	0	0	0	111.6	V59 P111 A115 S116 R117 Y146 T149 F150	V59-F113 HydrophobicContact CG2-CE2 3.65Å; V59-F113 HydrophobicContact CG2-CZ 4.11Å; P111-F113 HydrophobicContact CB-CD2 4.48Å; P111-F113 HydrophobicContact CB-CE2 3.61Å; P111-F113 HydrophobicContact CB-CZ 4.04Å; F113-A115 VanDerWaalsContact C-N 3.31Å; F113-A115 PolarHBondContact O-N 3.47Å; F113-S116 PolarHBondContact O-N 2.9Å; F113-R117 WeakPolarHBondContact O-CG 3.42Å; F113-R117 PolarHBondContact O-N 2.77Å; F113-Y146 HydrophobicContact CB-CD2 4.18Å; F113-Y146 HydrophobicContact CB-CE2 3.88Å; F113-Y146 AromaticContact CD1-CD2 3.68Å; F113-Y146 HydrophobicContact CD1-CD2 3.68Å; F113-Y146 AromaticContact CD1-CE2 3.41Å; F113-Y146 HydrophobicContact CD1-CE2 3.41Å; F113-Y146 VanDerWaalsContact CD1-CE2 3.41Å; F113-Y146 HydrophobicContact CD2-CE2 4.27Å; F113-Y146 HydrophobicContact CE1-CD2 4.4Å; F113-Y146 AromaticContact CE1-CE2 3.99Å; F113-Y146 HydrophobicContact CE1-CE2 3.99Å; F113-Y146 HydrophobicContact CG-CD2 4.13Å; F113-Y146 AromaticContact CG-CE2 3.59Å; F113-Y146 HydrophobicContact CG-CE2 3.59Å; F113-T149 HydrophobicContact CD1-CG2 3.96Å; F113-T149 HydrophobicContact CE1-CG2 3.87Å; F113-F150 HydrophobicContact CE1-CB 4.06Å; F113-F150 HydrophobicContact CE1-CD2 4.15Å; F113-F150 HydrophobicContact CZ-CB 4.41Å; F113-F150 AromaticContact CZ-CD2 3.71Å; F113-F150 HydrophobicContact CZ-CD2 3.71Å
114	D	86.5	Confident	88.1	Confident	99 Å²	99	55.5 Å²	55.5	53%	0.529	30%	0.298	S	S	.	.	H	α-helix	trans	-59.8	-41.1	-177	-79.3	-17.3	0	0	0	112	D112 S116 R117 A118	D112-D114 WeakPolarHBondContact OD1-CB 3.43Å; D112-D114 PolarHBondContact OD1-N 3.34Å; D114-S116 PolarHBondContact O-N 3.38Å; D114-R117 PolarHBondContact O-N 3.35Å; D114-R117 IonicContact OD1-CZ 2.63Å; D114-R117 IonicContact OD1-NE 3.33Å; D114-R117 PolarHBondContact OD1-NE 2.68Å; D114-R117 IonicContact OD1-NH2 3.38Å; D114-R117 PolarHBondContact OD1-NH2 3.42Å; D114-A118 VanDerWaalsContact O-CB 3.31Å; D114-A118 WeakPolarHBondContact O-CB 3.48Å; D114-A118 PolarHBondContact O-N 2.97Å
115	A	83.9	Confident	87.5	Confident	72 Å²	72	61.4 Å²	61.4	60%	0.595	33%	0.325	S	S	*	.	H	α-helix	trans	-60.7	-46.1	177.9	0	0	0	0	0	112	F113 A118 K119	F113-A115 VanDerWaalsContact C-N 3.31Å; F113-A115 PolarHBondContact O-N 3.47Å; A115-A118 PolarHBondContact O-N 3.12Å; A115-K119 WeakPolarHBondContact O-CB 3.4Å; A115-K119 PolarHBondContact O-N 2.93Å
116	S	84.8	Confident	86.6	Confident	8 Å²	8	64.9 Å²	64.9	6%	0.056	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-41.1	178.3	-55.7	0	0	0	0	111.5	F113 D114 K119 L120	F113-S116 PolarHBondContact O-N 2.9Å; D114-S116 PolarHBondContact O-N 3.38Å; S116-K119 PolarHBondContact O-N 3.47Å; S116-L120 PolarHBondContact O-N 3.44Å
117	R	83.3	Confident	85.9	Confident	69 Å²	69	69.6 Å²	69.6	26%	0.26	37%	0.365	S	S	.	.	H	α-helix	trans	-62.3	-46.2	175.7	-75.2	-172.6	-73.7	-106.4	1.3	112.3	K56 F113 D114 K119 L120 Q121	K56-R117 PolarHBondContact O-NH1 2.78Å; F113-R117 WeakPolarHBondContact O-CG 3.42Å; F113-R117 PolarHBondContact O-N 2.77Å; D114-R117 PolarHBondContact O-N 3.35Å; D114-R117 IonicContact OD1-CZ 2.63Å; D114-R117 IonicContact OD1-NE 3.33Å; D114-R117 PolarHBondContact OD1-NE 2.68Å; D114-R117 IonicContact OD1-NH2 3.38Å; D114-R117 PolarHBondContact OD1-NH2 3.42Å; R117-K119 VanDerWaalsContact C-N 3.3Å; R117-K119 PolarHBondContact O-N 3Å; R117-L120 WeakPolarHBondContact O-CB 3.42Å; R117-L120 PolarHBondContact O-N 3.08Å; R117-Q121 PolarHBondContact O-N 2.9Å
118	A	86.9	Confident	85.2	Confident	42 Å²	42	71.1 Å²	71.1	35%	0.347	39%	0.39	S	S	.	.	H	α-helix	trans	-62.9	-38.5	178.2	0	0	0	0	0	111.8	D114 A115 Q121 R122	D114-A118 VanDerWaalsContact O-CB 3.31Å; D114-A118 WeakPolarHBondContact O-CB 3.48Å; D114-A118 PolarHBondContact O-N 2.97Å; A115-A118 PolarHBondContact O-N 3.12Å; A118-Q121 PolarHBondContact O-N 3.35Å; A118-R122 WeakPolarHBondContact O-CG 3.46Å; A118-R122 PolarHBondContact O-N 2.9Å; A118-R122 VanDerWaalsContact O-N 3.1Å
119	K	86.1	Confident	84.6	Confident	84 Å²	84	77.1 Å²	77.1	37%	0.365	42%	0.421	S	S	.	.	H	α-helix	trans	-68.5	-36.7	175.6	-169.7	166	162.6	-166.2	0	111.6	A115 S116 R117 R122 L123 L142 E145	A115-K119 WeakPolarHBondContact O-CB 3.4Å; A115-K119 PolarHBondContact O-N 2.93Å; S116-K119 PolarHBondContact O-N 3.47Å; R117-K119 VanDerWaalsContact C-N 3.3Å; R117-K119 PolarHBondContact O-N 3Å; K119-R122 PolarHBondContact O-N 2.96Å; K119-L123 WeakPolarHBondContact O-CG 3.45Å; K119-L123 PolarHBondContact O-N 2.86Å; K119-L123 VanDerWaalsContact O-N 3.09Å; K119-L142 HydrophobicContact CB-CD1 3.83Å; K119-L142 HydrophobicContact CB-CD2 4.29Å; K119-L142 HydrophobicContact CD-CD1 3.86Å; K119-L142 HydrophobicContact CG-CD1 3.91Å; K119-L142 HydrophobicContact CG-CD2 4.32Å; K119-E145 IonicContact NZ-OE2 2.65Å; K119-E145 PolarHBondContact NZ-OE2 3.43Å
120	L	85.1	Confident	84	Confident	53 Å²	53	76.8 Å²	76.8	28%	0.277	42%	0.416	S	S	.	.	H	α-helix	trans	-63.4	-45.6	174	-170.8	62.6	0	0	0	111.5	Y12 S116 R117 R122 L123 G124 L142	Y12-L120 WeakPolarHBondContact OH-CD2 3.42Å; S116-L120 PolarHBondContact O-N 3.44Å; R117-L120 WeakPolarHBondContact O-CB 3.42Å; R117-L120 PolarHBondContact O-N 3.08Å; L120-R122 PolarHBondContact O-N 3.1Å; L120-L123 WeakPolarHBondContact O-CB 3.47Å; L120-L123 PolarHBondContact O-N 3.16Å; L120-L123 VanDerWaalsContact O-N 3.16Å; L120-G124 PolarHBondContact O-N 2.66Å; L120-L142 VanDerWaalsContact CA-CD2 3.43Å; L120-L142 HydrophobicContact CB-CD2 3.63Å; L120-L142 HydrophobicContact CD1-CD2 3.81Å; L120-L142 HydrophobicContact CG-CD2 4.32Å; L120-L142 VanDerWaalsContact N-CD2 3.35Å
121	Q	85	Confident	83.6	Confident	124 Å²	124	74.5 Å²	74.5	58%	0.579	41%	0.414	S	S	*	.	H	α-helix	trans	-59.8	-46.5	178.1	-176.6	179.1	-6.5	0	0	111.5	R117 A118 L123 G124 E125	R117-Q121 PolarHBondContact O-N 2.9Å; A118-Q121 PolarHBondContact O-N 3.35Å; Q121-L123 VanDerWaalsContact C-N 3.25Å; Q121-L123 PolarHBondContact O-N 3.23Å; Q121-G124 PolarHBondContact O-N 3.05Å; Q121-G124 VanDerWaalsContact O-N 3.15Å; Q121-E125 PolarHBondContact NE2-OE1 2.86Å; Q121-E125 WeakPolarHBondContact O-CG 3.31Å; Q121-E125 PolarHBondContact O-N 2.75Å
122	R	85.1	Confident	83.4	Confident	169 Å²	169	79.6 Å²	79.6	64%	0.638	45%	0.445	S	S	*	.	H	α-helix	trans	-61.8	-31.9	176.5	-72.4	175.7	-177.1	178.5	2	113.1	A118 K119 L120 N126	A118-R122 WeakPolarHBondContact O-CG 3.46Å; A118-R122 PolarHBondContact O-N 2.9Å; A118-R122 VanDerWaalsContact O-N 3.1Å; K119-R122 PolarHBondContact O-N 2.96Å; L120-R122 PolarHBondContact O-N 3.1Å; R122-N126 PolarHBondContact O-N 3.41Å; R122-N126 PolarHBondContact O-ND2 3.27Å
123	L	82.9	Confident	83.2	Confident	24 Å²	24	80 Å²	80	13%	0.126	44%	0.444	C	S	.	.	H	α-helix	trans	-69.2	-42.3	174.6	-73.9	171.2	0	0	0	111.2	K119 L120 Q121 E125 N126 E127 M138 L142	K119-L123 WeakPolarHBondContact O-CG 3.45Å; K119-L123 PolarHBondContact O-N 2.86Å; K119-L123 VanDerWaalsContact O-N 3.09Å; L120-L123 WeakPolarHBondContact O-CB 3.47Å; L120-L123 PolarHBondContact O-N 3.16Å; L120-L123 VanDerWaalsContact O-N 3.16Å; Q121-L123 VanDerWaalsContact C-N 3.25Å; Q121-L123 PolarHBondContact O-N 3.23Å; L123-E125 VanDerWaalsContact C-N 3.35Å; L123-E125 PolarHBondContact O-N 3.49Å; L123-N126 CarbonylContact O-C 3.56Å; L123-N126 PolarHBondContact O-N 3.41Å; L123-E127 PolarHBondContact O-N 2.92Å; L123-M138 HydrophobicContact CD1-CB 4.18Å; L123-M138 HydrophobicContact CD2-CB 3.72Å; L123-M138 HydrophobicContact CD2-CG 4.31Å; L123-M138 HydrophobicContact CD2-SD 3.65Å; L123-L142 HydrophobicContact CD1-CD2 3.85Å
124	G	83.6	Confident	83	Confident	43 Å²	43	83 Å²	83	44%	0.443	46%	0.46	S	S	.	.	H	α-helix	trans	-62.9	-38.3	175.3	0	0	0	0	0	113.1	L120 Q121 N126 E127	L120-G124 PolarHBondContact O-N 2.66Å; Q121-G124 PolarHBondContact O-N 3.05Å; Q121-G124 VanDerWaalsContact O-N 3.15Å; G124-N126 VanDerWaalsContact C-N 3.25Å; G124-N126 PolarHBondContact O-N 3.26Å; G124-E127 WeakPolarHBondContact O-CB 3.42Å; G124-E127 PolarHBondContact O-N 3.08Å
125	E	85.3	Confident	82.8	Confident	128 Å²	128	79.7 Å²	79.7	60%	0.598	44%	0.442	S	S	*	.	H	α-helix	trans	-65.7	-27.1	175.8	-71.2	169.3	-174.8	0	0	113.1	Q121 L123	Q121-E125 PolarHBondContact NE2-OE1 2.86Å; Q121-E125 WeakPolarHBondContact O-CG 3.31Å; Q121-E125 PolarHBondContact O-N 2.75Å; L123-E125 VanDerWaalsContact C-N 3.35Å; L123-E125 PolarHBondContact O-N 3.49Å
126	N	77.2	Confident	83	Confident	77 Å²	77	83.5 Å²	83.5	41%	0.412	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	4.8	-178.4	-69.6	-57.5	0	0	0	113.9	R122 L123 G124 G128 N129 L130	R122-N126 PolarHBondContact O-N 3.41Å; R122-N126 PolarHBondContact O-ND2 3.27Å; L123-N126 CarbonylContact O-C 3.56Å; L123-N126 PolarHBondContact O-N 3.41Å; G124-N126 VanDerWaalsContact C-N 3.25Å; G124-N126 PolarHBondContact O-N 3.26Å; N126-G128 VanDerWaalsContact C-N 3.26Å; N126-G128 PolarHBondContact O-N 3.39Å; N126-N129 PolarHBondContact O-N 3.34Å; N126-L130 HydrophobicContact CB-CD1 4.46Å
127	E	76.7	Confident	82.9	Confident	116 Å²	116	87 Å²	87	54%	0.542	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-57.1	-36.1	-173.3	179.1	158.2	-148	0	0	113	L123 G124 N129 L135	L123-E127 PolarHBondContact O-N 2.92Å; G124-E127 WeakPolarHBondContact O-CB 3.42Å; G124-E127 PolarHBondContact O-N 3.08Å; E127-N129 VanDerWaalsContact C-N 3.31Å; E127-N129 PolarHBondContact O-N 3.46Å; E127-L135 HydrophobicContact CB-CD1 4.48Å; E127-L135 HydrophobicContact CB-CD2 4.38Å; E127-L135 HydrophobicContact CG-CD2 3.62Å; E127-L135 WeakPolarHBondContact OE1-CD2 3.38Å
128	G	78.2	Confident	82.8	Confident	79 Å²	79	87 Å²	87	81%	0.814	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-74.3	-14.3	178	0	0	0	0	0	115.6	N126	N126-G128 VanDerWaalsContact C-N 3.26Å; N126-G128 PolarHBondContact O-N 3.39Å
129	N	80.7	Confident	82.8	Confident	132 Å²	132	88.9 Å²	88.9	71%	0.706	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-102.4	-11.7	-174.8	-67.8	-26.7	0	0	0	113.4	N126 E127	N126-N129 PolarHBondContact O-N 3.34Å; E127-N129 VanDerWaalsContact C-N 3.31Å; E127-N129 PolarHBondContact O-N 3.46Å
130	L	78.2	Confident	82.8	Confident	53 Å²	53	87.2 Å²	87.2	28%	0.277	46%	0.461	S	S	.	.	S	Bend	trans	-106.3	145.4	-177.1	-97.7	74.1	0	0	0	111.9	N126 D134 M138	N126-L130 HydrophobicContact CB-CD1 4.46Å; L130-D134 HydrophobicContact CD2-CB 4.17Å; L130-M138 HydrophobicContact CD2-CE 3.61Å; L130-M138 HydrophobicContact CD2-SD 3.55Å; L130-M138 VanDerWaalsContact CD2-SD 3.55Å
131	P	82.7	Confident	82.7	Confident	78 Å²	78	88.4 Å²	88.4	51%	0.506	47%	0.465	S	S	.	.			trans	-54.6	140.3	164.2	-23.1	34.3	0	0	0	111.1	E133 D134 L135	P131-E133 PolarHBondContact O-N 3.48Å; P131-E133 VanDerWaalsContact O-N 3.13Å; P131-D134 HydrophobicContact CB-CB 4.44Å; P131-D134 WeakPolarHBondContact CD-OD2 3.38Å; P131-D134 VanDerWaalsContact CG-OD2 3.31Å; P131-D134 WeakPolarHBondContact CG-OD2 3.31Å; P131-D134 WeakPolarHBondContact O-CB 3.24Å; P131-D134 PolarHBondContact O-N 3.44Å; P131-L135 PolarHBondContact O-N 2.72Å
132	V	85.3	Confident	82.8	Confident	120 Å²	120	82.9 Å²	82.9	73%	0.727	44%	0.439	S	S	*	.	H	α-helix	trans	-53.9	-37.8	-178.1	176.3	0	0	0	0	112.2	L135 R136	V132-L135 PolarHBondContact O-N 2.88Å; V132-R136 WeakPolarHBondContact O-CB 3.38Å; V132-R136 PolarHBondContact O-N 3.33Å
133	E	83.9	Confident	82.9	Confident	107 Å²	107	79 Å²	79	50%	0.5	43%	0.428	S	S	.	.	H	α-helix	trans	-70.2	-35.4	-179.3	-166.7	57.4	-158.3	0	0	112.5	P131 R136 K137	P131-E133 PolarHBondContact O-N 3.48Å; P131-E133 VanDerWaalsContact O-N 3.13Å; E133-R136 PolarHBondContact O-N 3.38Å; E133-R136 IonicContact OE1-CZ 2.7Å; E133-R136 IonicContact OE1-NE 3.02Å; E133-R136 PolarHBondContact OE1-NE 2.89Å; E133-R136 VanDerWaalsContact OE1-NE 3.11Å; E133-R136 IonicContact OE1-NH2 3.11Å; E133-R136 PolarHBondContact OE1-NH2 3.07Å; E133-R136 IonicContact OE2-NE 3.32Å; E133-R136 PolarHBondContact OE2-NE 3.34Å; E133-K137 WeakPolarHBondContact O-CB 3.2Å; E133-K137 PolarHBondContact O-N 3.08Å
134	D	80.7	Confident	83	Confident	67 Å²	67	80.6 Å²	80.6	36%	0.358	45%	0.446	S	S	.	.	H	α-helix	trans	-68.5	-42.6	175.2	-67.5	-24.6	0	0	0	110.5	L130 P131 R136 K137 M138	L130-D134 HydrophobicContact CD2-CB 4.17Å; P131-D134 HydrophobicContact CB-CB 4.44Å; P131-D134 WeakPolarHBondContact CD-OD2 3.38Å; P131-D134 VanDerWaalsContact CG-OD2 3.31Å; P131-D134 WeakPolarHBondContact CG-OD2 3.31Å; P131-D134 WeakPolarHBondContact O-CB 3.24Å; P131-D134 PolarHBondContact O-N 3.44Å; D134-R136 VanDerWaalsContact C-N 3.33Å; D134-R136 PolarHBondContact O-N 3.19Å; D134-K137 PolarHBondContact O-N 2.79Å; D134-M138 WeakPolarHBondContact O-CB 2.96Å; D134-M138 VanDerWaalsContact O-CG 3.3Å; D134-M138 WeakPolarHBondContact O-CG 3.49Å; D134-M138 PolarHBondContact O-N 3.15Å
135	L	84.1	Confident	83.1	Confident	29 Å²	29	82.3 Å²	82.3	15%	0.152	44%	0.442	C	S	.	.	H	α-helix	trans	-59.4	-44.6	174.9	-173.7	73.9	0	0	0	111.4	E127 P131 V132 K137 M138 K139	E127-L135 HydrophobicContact CB-CD1 4.48Å; E127-L135 HydrophobicContact CB-CD2 4.38Å; E127-L135 HydrophobicContact CG-CD2 3.62Å; E127-L135 WeakPolarHBondContact OE1-CD2 3.38Å; P131-L135 PolarHBondContact O-N 2.72Å; V132-L135 PolarHBondContact O-N 2.88Å; L135-K137 PolarHBondContact O-N 2.95Å; L135-M138 PolarHBondContact O-N 2.96Å; L135-K139 WeakPolarHBondContact O-CB 3.47Å; L135-K139 PolarHBondContact O-N 2.92Å
136	R	86.8	Confident	83.2	Confident	152 Å²	152	78.4 Å²	78.4	57%	0.574	42%	0.422	S	S	*	.	H	α-helix	trans	-60.6	-44.5	176.9	-167.2	-175.6	76.3	81.7	0.4	111.6	V132 E133 D134 K139 A140	V132-R136 WeakPolarHBondContact O-CB 3.38Å; V132-R136 PolarHBondContact O-N 3.33Å; E133-R136 PolarHBondContact O-N 3.38Å; E133-R136 IonicContact OE1-CZ 2.7Å; E133-R136 IonicContact OE1-NE 3.02Å; E133-R136 PolarHBondContact OE1-NE 2.89Å; E133-R136 VanDerWaalsContact OE1-NE 3.11Å; E133-R136 IonicContact OE1-NH2 3.11Å; E133-R136 PolarHBondContact OE1-NH2 3.07Å; E133-R136 IonicContact OE2-NE 3.32Å; E133-R136 PolarHBondContact OE2-NE 3.34Å; D134-R136 VanDerWaalsContact C-N 3.33Å; D134-R136 PolarHBondContact O-N 3.19Å; R136-K139 PolarHBondContact O-N 3.16Å; R136-A140 PolarHBondContact O-N 2.91Å
137	K	82.7	Confident	83.7	Confident	80 Å²	80	77.4 Å²	77.4	35%	0.348	42%	0.416	S	S	.	.	H	α-helix	trans	-62.6	-46.8	176.9	-171.1	179.5	-176.8	179.1	0	111.2	E133 D134 L135 K139 A140 E141 E291	E133-K137 WeakPolarHBondContact O-CB 3.2Å; E133-K137 PolarHBondContact O-N 3.08Å; D134-K137 PolarHBondContact O-N 2.79Å; L135-K137 PolarHBondContact O-N 2.95Å; K137-K139 PolarHBondContact O-N 3.13Å; K137-A140 PolarHBondContact O-N 3.23Å; K137-E141 WeakPolarHBondContact O-CG 3.47Å; K137-E141 PolarHBondContact O-N 3.35Å; K137-E291 IonicContact NZ-OE1 3.53Å; K137-E291 PolarHBondContact NZ-OE1 2.77Å
138	M	81.9	Confident	84.1	Confident	69 Å²	69	74.7 Å²	74.7	34%	0.34	41%	0.414	S	S	.	.	H	α-helix	trans	-64.5	-38.2	179	-70.3	-173.6	-173.3	0	0	112.6	L123 L130 D134 L135 E141 L142	L123-M138 HydrophobicContact CD1-CB 4.18Å; L123-M138 HydrophobicContact CD2-CB 3.72Å; L123-M138 HydrophobicContact CD2-CG 4.31Å; L123-M138 HydrophobicContact CD2-SD 3.65Å; L130-M138 HydrophobicContact CD2-CE 3.61Å; L130-M138 HydrophobicContact CD2-SD 3.55Å; L130-M138 VanDerWaalsContact CD2-SD 3.55Å; D134-M138 WeakPolarHBondContact O-CB 2.96Å; D134-M138 VanDerWaalsContact O-CG 3.3Å; D134-M138 WeakPolarHBondContact O-CG 3.49Å; D134-M138 PolarHBondContact O-N 3.15Å; L135-M138 PolarHBondContact O-N 2.96Å; M138-E141 PolarHBondContact O-N 3.15Å; M138-L142 WeakPolarHBondContact O-CB 3.4Å; M138-L142 PolarHBondContact O-N 3.24Å
139	K	86.6	Confident	84.5	Confident	83 Å²	83	73.2 Å²	73.2	36%	0.361	39%	0.389	S	S	.	.	H	α-helix	trans	-64.6	-45.7	175.3	-173.7	177.8	176.5	-178.4	0	111.7	I11 L135 R136 K137 E141 L142 E143	I11-K139 VanDerWaalsContact CD1-CE 3.45Å; L135-K139 WeakPolarHBondContact O-CB 3.47Å; L135-K139 PolarHBondContact O-N 2.92Å; R136-K139 PolarHBondContact O-N 3.16Å; K137-K139 PolarHBondContact O-N 3.13Å; K139-E141 VanDerWaalsContact C-N 3.35Å; K139-E141 PolarHBondContact O-N 3.15Å; K139-L142 WeakPolarHBondContact O-CB 3.28Å; K139-L142 PolarHBondContact O-N 2.82Å; K139-L142 VanDerWaalsContact O-N 3.16Å; K139-E143 VanDerWaalsContact CE-OE1 3.23Å; K139-E143 WeakPolarHBondContact CE-OE1 3.49Å; K139-E143 WeakPolarHBondContact O-CG 3.18Å; K139-E143 PolarHBondContact O-N 2.79Å
140	A	87.1	Confident	85	Confident	48 Å²	48	67.3 Å²	67.3	40%	0.397	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-39.4	177.2	0	0	0	0	0	112.6	R136 K137 L142 E143 A144	R136-A140 PolarHBondContact O-N 2.91Å; K137-A140 PolarHBondContact O-N 3.23Å; A140-L142 VanDerWaalsContact C-N 3.32Å; A140-L142 PolarHBondContact O-N 3.47Å; A140-E143 PolarHBondContact O-N 2.88Å; A140-A144 WeakPolarHBondContact O-CB 3.37Å; A140-A144 PolarHBondContact O-N 3.13Å
141	E	82.5	Confident	85.5	Confident	78 Å²	78	68.5 Å²	68.5	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-63.5	-39.1	174.2	-73.8	-176	175.5	0	0	111.8	K137 M138 K139 A144 E145 R294	K137-E141 WeakPolarHBondContact O-CG 3.47Å; K137-E141 PolarHBondContact O-N 3.35Å; M138-E141 PolarHBondContact O-N 3.15Å; K139-E141 VanDerWaalsContact C-N 3.35Å; K139-E141 PolarHBondContact O-N 3.15Å; E141-A144 PolarHBondContact O-N 3.44Å; E141-E145 PolarHBondContact O-N 3.43Å; E141-R294 IonicContact OE1-NH1 3.22Å; E141-R294 IonicContact OE1-NH2 3.73Å
142	L	86	Confident	85.9	Confident	8 Å²	8	67.4 Å²	67.4	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-41.7	177.2	-179.1	58.7	0	0	0	112.7	K119 L120 L123 M138 K139 A140 A144 E145 Y146	K119-L142 HydrophobicContact CB-CD1 3.83Å; K119-L142 HydrophobicContact CB-CD2 4.29Å; K119-L142 HydrophobicContact CD-CD1 3.86Å; K119-L142 HydrophobicContact CG-CD1 3.91Å; K119-L142 HydrophobicContact CG-CD2 4.32Å; L120-L142 VanDerWaalsContact CA-CD2 3.43Å; L120-L142 HydrophobicContact CB-CD2 3.63Å; L120-L142 HydrophobicContact CD1-CD2 3.81Å; L120-L142 HydrophobicContact CG-CD2 4.32Å; L120-L142 VanDerWaalsContact N-CD2 3.35Å; L123-L142 HydrophobicContact CD1-CD2 3.85Å; M138-L142 WeakPolarHBondContact O-CB 3.4Å; M138-L142 PolarHBondContact O-N 3.24Å; K139-L142 WeakPolarHBondContact O-CB 3.28Å; K139-L142 PolarHBondContact O-N 2.82Å; K139-L142 VanDerWaalsContact O-N 3.16Å; A140-L142 VanDerWaalsContact C-N 3.32Å; A140-L142 PolarHBondContact O-N 3.47Å; L142-A144 VanDerWaalsContact C-N 3.31Å; L142-A144 PolarHBondContact O-N 3.4Å; L142-E145 PolarHBondContact O-N 2.69Å; L142-Y146 WeakPolarHBondContact O-CB 3.25Å; L142-Y146 PolarHBondContact O-N 3.23Å
143	E	87.2	Confident	86.2	Confident	87 Å²	87	62.2 Å²	62.2	41%	0.407	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-41.6	173.9	-74.5	169.9	-176.7	0	0	111	K139 A140 Y146 L147	K139-E143 VanDerWaalsContact CE-OE1 3.23Å; K139-E143 WeakPolarHBondContact CE-OE1 3.49Å; K139-E143 WeakPolarHBondContact O-CG 3.18Å; K139-E143 PolarHBondContact O-N 2.79Å; A140-E143 PolarHBondContact O-N 2.88Å; E143-Y146 PolarHBondContact O-N 3.03Å; E143-L147 VanDerWaalsContact O-CB 3.24Å; E143-L147 WeakPolarHBondContact O-CB 3.42Å; E143-L147 PolarHBondContact O-N 3.12Å
144	A	86	Confident	86.7	Confident	59 Å²	59	57.2 Å²	57.2	49%	0.488	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-41.2	175.2	0	0	0	0	0	112.6	A140 E141 L142 L147 A148	A140-A144 WeakPolarHBondContact O-CB 3.37Å; A140-A144 PolarHBondContact O-N 3.13Å; E141-A144 PolarHBondContact O-N 3.44Å; L142-A144 VanDerWaalsContact C-N 3.31Å; L142-A144 PolarHBondContact O-N 3.4Å; A144-L147 PolarHBondContact O-N 3.4Å; A144-A148 WeakPolarHBondContact O-CB 3.34Å; A144-A148 PolarHBondContact O-N 3.2Å
145	E	84.9	Confident	87.2	Confident	78 Å²	78	54.7 Å²	54.7	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-44.4	176.1	-177.5	176	-176.4	0	0	111.9	K119 E141 L142 A148 T149	K119-E145 IonicContact NZ-OE2 2.65Å; K119-E145 PolarHBondContact NZ-OE2 3.43Å; E141-E145 PolarHBondContact O-N 3.43Å; L142-E145 PolarHBondContact O-N 2.69Å; E145-A148 PolarHBondContact O-N 2.98Å; E145-T149 PolarHBondContact O-N 3.48Å; E145-T149 VanDerWaalsContact O-N 3.16Å; E145-T149 PolarHBondContact O-OG1 2.85Å; E145-T149 VanDerWaalsContact O-OG1 3.1Å
146	Y	87.8	Confident	87.6	Confident	46 Å²	46	54.6 Å²	54.6	18%	0.18	28%	0.28	C	S	.	.	H	α-helix	trans	-59.9	-48.8	174.1	174.7	-93.4	0	0	0	111	S54 F113 L142 E143 A148 T149 F150	S54-Y146 WeakPolarHBondContact CB-OH 3.32Å; S54-Y146 PolarHBondContact OG-OH 3.32Å; F113-Y146 HydrophobicContact CB-CD2 4.18Å; F113-Y146 HydrophobicContact CB-CE2 3.88Å; F113-Y146 AromaticContact CD1-CD2 3.68Å; F113-Y146 HydrophobicContact CD1-CD2 3.68Å; F113-Y146 AromaticContact CD1-CE2 3.41Å; F113-Y146 HydrophobicContact CD1-CE2 3.41Å; F113-Y146 VanDerWaalsContact CD1-CE2 3.41Å; F113-Y146 HydrophobicContact CD2-CE2 4.27Å; F113-Y146 HydrophobicContact CE1-CD2 4.4Å; F113-Y146 AromaticContact CE1-CE2 3.99Å; F113-Y146 HydrophobicContact CE1-CE2 3.99Å; F113-Y146 HydrophobicContact CG-CD2 4.13Å; F113-Y146 AromaticContact CG-CE2 3.59Å; F113-Y146 HydrophobicContact CG-CE2 3.59Å; L142-Y146 WeakPolarHBondContact O-CB 3.25Å; L142-Y146 PolarHBondContact O-N 3.23Å; E143-Y146 PolarHBondContact O-N 3.03Å; Y146-A148 VanDerWaalsContact C-N 3.32Å; Y146-A148 PolarHBondContact O-N 3.5Å; Y146-T149 WeakPolarHBondContact O-CB 3.38Å; Y146-T149 PolarHBondContact O-N 3.05Å; Y146-F150 WeakPolarHBondContact O-CB 3.36Å; Y146-F150 PolarHBondContact O-N 3.16Å
147	L	87.8	Confident	88.1	Confident	56 Å²	56	47.3 Å²	47.3	29%	0.293	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-38.8	-179.2	178.8	60.3	0	0	0	112.3	V16 E143 A144 F150 K151	V16-L147 HydrophobicContact CB-CD1 4.38Å; V16-L147 HydrophobicContact CG1-CD1 3.89Å; V16-L147 HydrophobicContact CG2-CD1 3.89Å; E143-L147 VanDerWaalsContact O-CB 3.24Å; E143-L147 WeakPolarHBondContact O-CB 3.42Å; E143-L147 PolarHBondContact O-N 3.12Å; A144-L147 PolarHBondContact O-N 3.4Å; L147-F150 PolarHBondContact O-N 3.4Å; L147-K151 HydrophobicContact CD1-CD 4.45Å; L147-K151 HydrophobicContact CD1-CG 4.23Å; L147-K151 HydrophobicContact CG-CD 4.41Å; L147-K151 WeakPolarHBondContact O-CB 3.46Å; L147-K151 WeakPolarHBondContact O-CG 3.33Å; L147-K151 PolarHBondContact O-N 3.19Å
148	A	86.1	Confident	88.8	Confident	60 Å²	60	45.6 Å²	45.6	50%	0.496	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-46.6	175.3	0	0	0	0	0	111.5	A144 E145 Y146 F150 K151 K152	A144-A148 WeakPolarHBondContact O-CB 3.34Å; A144-A148 PolarHBondContact O-N 3.2Å; E145-A148 PolarHBondContact O-N 2.98Å; Y146-A148 VanDerWaalsContact C-N 3.32Å; Y146-A148 PolarHBondContact O-N 3.5Å; A148-F150 VanDerWaalsContact C-N 3.33Å; A148-F150 PolarHBondContact O-N 2.79Å; A148-K151 PolarHBondContact O-N 2.91Å; A148-K152 WeakPolarHBondContact O-CB 3.28Å; A148-K152 PolarHBondContact O-N 3.2Å
149	T	86.4	Confident	89.4	Confident	47 Å²	47	42.5 Å²	42.5	29%	0.288	23%	0.231	S	C	.	.	H	α-helix	trans	-62.1	-40.4	175.9	-56.5	0	0	0	0	111.7	F113 E145 Y146 K152 T153	F113-T149 HydrophobicContact CD1-CG2 3.96Å; F113-T149 HydrophobicContact CE1-CG2 3.87Å; E145-T149 PolarHBondContact O-N 3.48Å; E145-T149 VanDerWaalsContact O-N 3.16Å; E145-T149 PolarHBondContact O-OG1 2.85Å; E145-T149 VanDerWaalsContact O-OG1 3.1Å; Y146-T149 WeakPolarHBondContact O-CB 3.38Å; Y146-T149 PolarHBondContact O-N 3.05Å; T149-K152 PolarHBondContact O-N 3.01Å; T149-T153 WeakPolarHBondContact O-CB 3.45Å; T149-T153 PolarHBondContact O-N 3.36Å; T149-T153 PolarHBondContact O-OG1 3.48Å
150	F	89.8	Confident	89.9	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.035	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-48.9	178	-172.5	-97.6	0	0	0	111.8	A52 V59 F113 Y146 L147 A148 K152 T153 V154	A52-F150 HydrophobicContact CB-CE1 3.86Å; A52-F150 HydrophobicContact CB-CE2 4.48Å; A52-F150 HydrophobicContact CB-CZ 3.46Å; A52-F150 VanDerWaalsContact CB-CZ 3.46Å; V59-F150 HydrophobicContact CG1-CE2 3.73Å; V59-F150 HydrophobicContact CG1-CZ 4.16Å; V59-F150 HydrophobicContact CG2-CE2 4.18Å; F113-F150 HydrophobicContact CE1-CB 4.06Å; F113-F150 HydrophobicContact CE1-CD2 4.15Å; F113-F150 HydrophobicContact CZ-CB 4.41Å; F113-F150 AromaticContact CZ-CD2 3.71Å; F113-F150 HydrophobicContact CZ-CD2 3.71Å; Y146-F150 WeakPolarHBondContact O-CB 3.36Å; Y146-F150 PolarHBondContact O-N 3.16Å; L147-F150 PolarHBondContact O-N 3.4Å; A148-F150 VanDerWaalsContact C-N 3.33Å; A148-F150 PolarHBondContact O-N 2.79Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 3.09Å; F150-T153 VanDerWaalsContact O-CB 3.3Å; F150-T153 WeakPolarHBondContact O-CB 3.42Å; F150-T153 PolarHBondContact O-N 3.32Å; F150-T153 VanDerWaalsContact O-N 3.12Å; F150-V154 HydrophobicContact CD1-CG2 4.3Å; F150-V154 HydrophobicContact CE1-CG2 3.98Å; F150-V154 HydrophobicContact CZ-CG2 4.34Å; F150-V154 PolarHBondContact O-N 2.87Å
151	K	90.2	Very high	90.4	Very high	78 Å²	78	36.5 Å²	36.5	34%	0.339	20%	0.196	S	C	.	.	H	α-helix	trans	-59.8	-41.8	176.4	-74.8	-178	178.4	-172	0	112.2	L147 A148 T153 V154 A155	L147-K151 HydrophobicContact CD1-CD 4.45Å; L147-K151 HydrophobicContact CD1-CG 4.23Å; L147-K151 HydrophobicContact CG-CD 4.41Å; L147-K151 WeakPolarHBondContact O-CB 3.46Å; L147-K151 WeakPolarHBondContact O-CG 3.33Å; L147-K151 PolarHBondContact O-N 3.19Å; A148-K151 PolarHBondContact O-N 2.91Å; K151-T153 VanDerWaalsContact C-N 3.33Å; K151-T153 PolarHBondContact O-N 2.95Å; K151-V154 PolarHBondContact O-N 3.32Å; K151-A155 WeakPolarHBondContact O-CB 3.41Å; K151-A155 PolarHBondContact O-N 2.89Å
152	K	90.1	Very high	91.2	Very high	55 Å²	55	33.8 Å²	33.8	24%	0.239	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-45.8	174.5	178.7	177.4	170	171.8	0	111.2	F24 A148 T149 F150 V154 A155 M156 D310	F24-K152 HydrophobicContact CE2-CG 3.79Å; F24-K152 HydrophobicContact CZ-CG 3.82Å; A148-K152 WeakPolarHBondContact O-CB 3.28Å; A148-K152 PolarHBondContact O-N 3.2Å; T149-K152 PolarHBondContact O-N 3.01Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 3.09Å; K152-V154 PolarHBondContact O-N 3.38Å; K152-A155 PolarHBondContact O-N 3.07Å; K152-M156 WeakPolarHBondContact O-CG 3.42Å; K152-M156 PolarHBondContact O-N 2.91Å; K152-D310 WeakPolarHBondContact CE-OD1 3.1Å; K152-D310 WeakPolarHBondContact CE-OD2 3.43Å; K152-D310 IonicContact NZ-OD1 2.68Å; K152-D310 PolarHBondContact NZ-OD1 2.97Å; K152-D310 IonicContact NZ-OD2 3.15Å; K152-D310 PolarHBondContact NZ-OD2 3.45Å
153	T	91.9	Very high	91.6	Very high	12 Å²	12	33.4 Å²	33.4	7%	0.074	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-50.7	176.3	-61.7	0	0	0	0	111.1	F61 P111 T149 F150 K151 A155 M156 H157	F61-T153 HydrophobicContact CE1-CG2 4.34Å; F61-T153 HydrophobicContact CZ-CG2 4.02Å; P111-T153 HydrophobicContact CB-CG2 3.82Å; P111-T153 HydrophobicContact CG-CG2 3.62Å; T149-T153 WeakPolarHBondContact O-CB 3.45Å; T149-T153 PolarHBondContact O-N 3.36Å; T149-T153 PolarHBondContact O-OG1 3.48Å; F150-T153 VanDerWaalsContact O-CB 3.3Å; F150-T153 WeakPolarHBondContact O-CB 3.42Å; F150-T153 PolarHBondContact O-N 3.32Å; F150-T153 VanDerWaalsContact O-N 3.12Å; K151-T153 VanDerWaalsContact C-N 3.33Å; K151-T153 PolarHBondContact O-N 2.95Å; T153-A155 PolarHBondContact O-N 3.34Å; T153-M156 PolarHBondContact O-N 2.82Å; T153-H157 PolarHBondContact O-N 3.03Å; T153-H157 PolarHBondContact O-ND1 3.2Å
154	V	93.6	Very high	92.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-47.3	178.6	176.4	0	0	0	0	111.2	I18 I49 A52 F61 F150 K151 K152 M156 H157 E158	I18-V154 HydrophobicContact CD1-CB 4.13Å; I18-V154 HydrophobicContact CD1-CG1 3.45Å; I18-V154 VanDerWaalsContact CD1-CG1 3.45Å; I18-V154 HydrophobicContact CD1-CG2 4.01Å; I49-V154 HydrophobicContact CB-CG1 3.85Å; I49-V154 HydrophobicContact CD1-CG1 4.14Å; I49-V154 HydrophobicContact CG2-CG1 3.55Å; A52-V154 HydrophobicContact CB-CG2 3.61Å; F61-V154 HydrophobicContact CD1-CG2 4.24Å; F61-V154 HydrophobicContact CE1-CG2 3.96Å; F150-V154 HydrophobicContact CD1-CG2 4.3Å; F150-V154 HydrophobicContact CE1-CG2 3.98Å; F150-V154 HydrophobicContact CZ-CG2 4.34Å; F150-V154 PolarHBondContact O-N 2.87Å; K151-V154 PolarHBondContact O-N 3.32Å; K152-V154 PolarHBondContact O-N 3.38Å; V154-M156 VanDerWaalsContact C-N 3.27Å; V154-M156 PolarHBondContact O-N 2.84Å; V154-H157 PolarHBondContact O-N 2.65Å; V154-H157 VanDerWaalsContact O-N 3.09Å; V154-E158 PolarHBondContact O-N 3.25Å
155	A	92.2	Very high	92.7	Very high	14 Å²	14	26.7 Å²	26.7	12%	0.116	14%	0.141	C	C	.	.	H	α-helix	trans	-60	-35.8	-179.4	0	0	0	0	0	112.9	F24 K151 K152 T153 V159	F24-A155 HydrophobicContact CD2-CB 3.68Å; F24-A155 HydrophobicContact CE2-CB 4.17Å; K151-A155 WeakPolarHBondContact O-CB 3.41Å; K151-A155 PolarHBondContact O-N 2.89Å; K152-A155 PolarHBondContact O-N 3.07Å; T153-A155 PolarHBondContact O-N 3.34Å; A155-V159 WeakPolarHBondContact O-CB 3.31Å; A155-V159 WeakPolarHBondContact O-CG2 3.15Å; A155-V159 PolarHBondContact O-N 3Å
156	M	93.4	Very high	93.2	Very high	26 Å²	26	26 Å²	26	13%	0.128	15%	0.145	C	C	.	.	H	α-helix	trans	-68.1	-39.6	175.2	-68.8	-173.4	79.9	0	0	112.8	F24 P108 P109 K152 T153 V154 F160	F24-M156 HydrophobicContact CD1-CG 3.9Å; F24-M156 HydrophobicContact CD2-CG 3.89Å; F24-M156 HydrophobicContact CE1-CE 3.94Å; F24-M156 HydrophobicContact CE1-CG 3.44Å; F24-M156 VanDerWaalsContact CE1-CG 3.44Å; F24-M156 HydrophobicContact CE1-SD 3.8Å; F24-M156 HydrophobicContact CE2-CG 3.42Å; F24-M156 VanDerWaalsContact CE2-CG 3.42Å; F24-M156 HydrophobicContact CE2-SD 4.31Å; F24-M156 HydrophobicContact CG-CG 4.11Å; F24-M156 HydrophobicContact CZ-CE 4.32Å; F24-M156 HydrophobicContact CZ-CG 3.19Å; F24-M156 HydrophobicContact CZ-SD 3.56Å; F24-M156 VanDerWaalsContact CZ-SD 3.56Å; P108-M156 HydrophobicContact CB-CB 4.44Å; P109-M156 VanDerWaalsContact CD-SD 3.58Å; P109-M156 HydrophobicContact CG-CE 3.54Å; P109-M156 HydrophobicContact CG-SD 3.45Å; P109-M156 WeakPolarHBondContact CG-SD 3.19Å; K152-M156 WeakPolarHBondContact O-CG 3.42Å; K152-M156 PolarHBondContact O-N 2.91Å; T153-M156 PolarHBondContact O-N 2.82Å; V154-M156 VanDerWaalsContact C-N 3.27Å; V154-M156 PolarHBondContact O-N 2.84Å; M156-F160 PolarHBondContact O-N 3.39Å; M156-F160 VanDerWaalsContact O-N 3.17Å
157	H	96.3	Very high	93.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-41.4	177.1	-72.3	71.7	0	0	0	111.1	I49 F61 H83 F86 P108 T153 V154 F160 L161	I49-H157 HydrophobicContact CD1-CB 3.62Å; F61-H157 HydrophobicContact CD1-CB 4.42Å; F61-H157 HydrophobicContact CE1-CB 4.17Å; F61-H157 AromaticContact CE1-CG 3.9Å; F61-H157 AromaticContact CE2-CD2 3.58Å; F61-H157 AromaticContact CE2-NE2 3.7Å; F61-H157 HydrophobicContact CZ-CB 4.37Å; F61-H157 AromaticContact CZ-CD2 3.61Å; F61-H157 AromaticContact CZ-CE1 3.67Å; F61-H157 AromaticContact CZ-CG 3.64Å; F61-H157 AromaticContact CZ-ND1 3.67Å; F61-H157 AromaticContact CZ-NE2 3.65Å; H83-H157 AromaticContact CE1-NE2 3.98Å; H83-H157 AromaticContact CG-NE2 3.93Å; H83-H157 AromaticContact ND1-CE1 3.76Å; H83-H157 AromaticContact ND1-NE2 3Å; H83-H157 PolarHBondContact ND1-NE2 3.4Å; F86-H157 HydrophobicContact CD1-CB 4.45Å; F86-H157 AromaticContact CD1-CD2 3.79Å; F86-H157 AromaticContact CD2-CD2 3.75Å; F86-H157 HydrophobicContact CE1-CB 3.81Å; F86-H157 AromaticContact CE1-CD2 3.82Å; F86-H157 AromaticContact CE2-CD2 3.8Å; F86-H157 AromaticContact CG-CD2 3.76Å; F86-H157 HydrophobicContact CZ-CB 4Å; F86-H157 AromaticContact CZ-CD2 3.83Å; P108-H157 HydrophobicContact CG-CB 4.38Å; T153-H157 PolarHBondContact O-N 3.03Å; T153-H157 PolarHBondContact O-ND1 3.2Å; V154-H157 PolarHBondContact O-N 2.65Å; V154-H157 VanDerWaalsContact O-N 3.09Å; H157-F160 WeakPolarHBondContact O-CB 3.44Å; H157-F160 PolarHBondContact O-N 2.75Å; H157-L161 WeakPolarHBondContact O-CG 3.29Å; H157-L161 PolarHBondContact O-N 2.87Å
158	E	97.1	Very high	93.9	Very high	43 Å²	43	26.2 Å²	26.2	20%	0.201	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-45.9	175.8	-179.6	172	91.2	0	0	111.4	I49 V154 F160 L161 Q162	I49-E158 HydrophobicContact CB-CB 4.4Å; I49-E158 HydrophobicContact CD1-CB 3.9Å; I49-E158 HydrophobicContact CG1-CB 3.95Å; I49-E158 HydrophobicContact CG1-CG 4.49Å; I49-E158 PolarHBondContact N-OE2 3.22Å; V154-E158 PolarHBondContact O-N 3.25Å; E158-F160 VanDerWaalsContact C-N 3.28Å; E158-F160 PolarHBondContact O-N 3.37Å; E158-L161 PolarHBondContact O-N 3.08Å; E158-L161 VanDerWaalsContact O-N 3.11Å; E158-Q162 HydrophobicContact CG-CG 4.15Å; E158-Q162 VanDerWaalsContact CG-NE2 3.33Å; E158-Q162 WeakPolarHBondContact O-CB 3.45Å; E158-Q162 WeakPolarHBondContact O-CG 3.33Å; E158-Q162 PolarHBondContact O-N 2.72Å; E158-Q162 PolarHBondContact OE1-NE2 2.66Å
159	V	95	Very high	94.4	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.024	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-39.4	177.3	149.3	0	0	0	0	112.6	F24 P25 F27 A155 R163 Y314	F24-V159 HydrophobicContact CB-CB 4.26Å; F24-V159 HydrophobicContact CB-CG1 4.49Å; F24-V159 HydrophobicContact CB-CG2 3.53Å; P25-V159 VanDerWaalsContact O-CG2 3.23Å; P25-V159 WeakPolarHBondContact O-CG2 3.47Å; F27-V159 HydrophobicContact CE2-CG1 4.05Å; F27-V159 HydrophobicContact CE2-CG2 4.46Å; A155-V159 WeakPolarHBondContact O-CB 3.31Å; A155-V159 WeakPolarHBondContact O-CG2 3.15Å; A155-V159 PolarHBondContact O-N 3Å; V159-R163 WeakPolarHBondContact O-CG 3.4Å; V159-R163 PolarHBondContact O-N 3.28Å; V159-Y314 HydrophobicContact CG1-CE2 3.85Å
160	F	97.1	Very high	94.9	Very high	4 Å²	4	24 Å²	24	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-59.8	-48.2	174.8	170.8	-97.7	0	0	0	111.5	F86 L89 H90 P105 P106 P108 M156 H157 E158 R163 L164	F86-F160 AromaticContact CD1-CD1 3.7Å; F86-F160 HydrophobicContact CD1-CD1 3.7Å; F86-F160 HydrophobicContact CD1-CE1 4.04Å; F86-F160 HydrophobicContact CE1-CD1 4.31Å; L89-F160 HydrophobicContact CD2-CE1 3.95Å; L89-F160 HydrophobicContact CD2-CZ 4.43Å; L89-F160 HydrophobicContact CG-CE1 4.44Å; L89-F160 HydrophobicContact CG-CZ 4.47Å; H90-F160 HydrophobicContact CB-CE2 4.29Å; H90-F160 HydrophobicContact CB-CZ 4.09Å; P105-F160 HydrophobicContact CB-CD2 3.87Å; P105-F160 HydrophobicContact CB-CE2 4.22Å; P105-F160 WeakPolarHBondContact O-CE2 3.47Å; P106-F160 WeakPolarHBondContact O-CD2 3.25Å; P108-F160 HydrophobicContact CG-CB 3.65Å; P108-F160 HydrophobicContact CG-CD1 4.43Å; P108-F160 HydrophobicContact CG-CG 3.99Å; M156-F160 PolarHBondContact O-N 3.39Å; M156-F160 VanDerWaalsContact O-N 3.17Å; H157-F160 WeakPolarHBondContact O-CB 3.44Å; H157-F160 PolarHBondContact O-N 2.75Å; E158-F160 VanDerWaalsContact C-N 3.28Å; E158-F160 PolarHBondContact O-N 3.37Å; F160-R163 PolarHBondContact O-N 3.42Å; F160-L164 HydrophobicContact CD1-CD1 4.29Å; F160-L164 HydrophobicContact CE1-CD1 3.69Å; F160-L164 HydrophobicContact CE2-CD1 4.32Å; F160-L164 HydrophobicContact CZ-CD1 3.71Å; F160-L164 WeakPolarHBondContact O-CG 3.29Å; F160-L164 PolarHBondContact O-N 2.93Å
161	L	98.3	Very high	95.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-43.6	178.9	-59.2	176.1	0	0	0	112.2	V47 I49 I63 F86 H157 E158 R163 L164 A165 F176 F179	V47-L161 HydrophobicContact CB-CB 4.39Å; V47-L161 HydrophobicContact CG1-CB 3.84Å; V47-L161 HydrophobicContact CG1-CD1 3.91Å; V47-L161 HydrophobicContact CG1-CG 4.47Å; I49-L161 HydrophobicContact CG1-CD1 4.39Å; I63-L161 HydrophobicContact CD1-CD1 3.76Å; I63-L161 HydrophobicContact CG1-CD1 3.92Å; I63-L161 HydrophobicContact CG2-CD1 4.03Å; F86-L161 HydrophobicContact CD1-CD2 4.24Å; F86-L161 HydrophobicContact CE1-CD1 3.82Å; F86-L161 HydrophobicContact CE1-CD2 3.76Å; F86-L161 HydrophobicContact CE1-CG 3.75Å; F86-L161 HydrophobicContact CZ-CD1 4.1Å; H157-L161 WeakPolarHBondContact O-CG 3.29Å; H157-L161 PolarHBondContact O-N 2.87Å; E158-L161 PolarHBondContact O-N 3.08Å; E158-L161 VanDerWaalsContact O-N 3.11Å; L161-R163 VanDerWaalsContact C-N 3.27Å; L161-R163 PolarHBondContact O-N 3.05Å; L161-L164 PolarHBondContact O-N 3.41Å; L161-L164 VanDerWaalsContact O-N 3.15Å; L161-A165 WeakPolarHBondContact O-CB 3.44Å; L161-A165 PolarHBondContact O-N 2.92Å; L161-F176 HydrophobicContact CD2-CE2 3.9Å; L161-F179 HydrophobicContact CD1-CE1 4.33Å; L161-F179 HydrophobicContact CD2-CD1 4.13Å; L161-F179 HydrophobicContact CD2-CE1 3.41Å; L161-F179 VanDerWaalsContact CD2-CE1 3.41Å; L161-F179 HydrophobicContact CD2-CZ 4.09Å
162	Q	97.4	Very high	95.5	Very high	21 Å²	21	25.9 Å²	25.9	10%	0.098	14%	0.143	C	C	.	.	H	α-helix	trans	-61.9	-35.6	177.7	-73.6	176.4	-4.5	0	0	111.9	F27 V47 E158 A165 S166	F27-Q162 HydrophobicContact CB-CB 4.2Å; F27-Q162 HydrophobicContact CD2-CB 3.77Å; F27-Q162 HydrophobicContact CG-CB 4.23Å; V47-Q162 WeakPolarHBondContact O-CG 3.45Å; E158-Q162 HydrophobicContact CG-CG 4.15Å; E158-Q162 VanDerWaalsContact CG-NE2 3.33Å; E158-Q162 WeakPolarHBondContact O-CB 3.45Å; E158-Q162 WeakPolarHBondContact O-CG 3.33Å; E158-Q162 PolarHBondContact O-N 2.72Å; E158-Q162 PolarHBondContact OE1-NE2 2.66Å; Q162-A165 PolarHBondContact O-N 3.27Å; Q162-S166 VanDerWaalsContact O-CB 3.26Å; Q162-S166 WeakPolarHBondContact O-CB 3.14Å; Q162-S166 PolarHBondContact O-N 2.99Å; Q162-S166 PolarHBondContact O-OG 3.17Å
163	R	95.8	Very high	95.8	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-45	173.2	-79.5	-172	67	-173.4	0.4	112.4	F27 P105 V159 F160 L161 S166 H167 Y314 D318	F27-R163 HydrophobicContact CD1-CG 4.38Å; F27-R163 HydrophobicContact CD2-CG 4.01Å; F27-R163 HydrophobicContact CE1-CG 3.67Å; F27-R163 HydrophobicContact CE2-CB 4.49Å; F27-R163 HydrophobicContact CE2-CG 3.24Å; F27-R163 HydrophobicContact CZ-CB 4.44Å; F27-R163 HydrophobicContact CZ-CG 3.06Å; P105-R163 HydrophobicContact CB-CB 3.94Å; P105-R163 HydrophobicContact CG-CB 3.45Å; P105-R163 VanDerWaalsContact CG-CB 3.45Å; P105-R163 HydrophobicContact CG-CG 4.33Å; V159-R163 WeakPolarHBondContact O-CG 3.4Å; V159-R163 PolarHBondContact O-N 3.28Å; F160-R163 PolarHBondContact O-N 3.42Å; L161-R163 VanDerWaalsContact C-N 3.27Å; L161-R163 PolarHBondContact O-N 3.05Å; R163-S166 PolarHBondContact O-OG 2.94Å; R163-S166 VanDerWaalsContact O-OG 3.14Å; R163-H167 WeakPolarHBondContact O-CB 3.31Å; R163-H167 PolarHBondContact O-N 2.93Å; R163-Y314 WeakPolarHBondContact CD-OH 3.43Å; R163-Y314 PolarHBondContact NH1-OH 3.39Å; R163-D318 IonicContact CZ-OD1 3.12Å; R163-D318 VanDerWaalsContact NH1-CG 3.35Å; R163-D318 IonicContact NH1-OD1 3.75Å; R163-D318 PolarHBondContact NH1-OD1 3.45Å; R163-D318 IonicContact NH1-OD2 3.33Å; R163-D318 IonicContact NH2-OD1 3.1Å; R163-D318 PolarHBondContact NH2-OD1 3Å; R163-D318 VanDerWaalsContact NH2-OD1 3.15Å
164	L	97.8	Very high	96	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-44.7	177.2	-63.1	178.6	0	0	0	111.2	L89 L93 P105 F160 L161 S166 H167 F170 K171 F176	L89-L164 HydrophobicContact CD2-CD1 3.9Å; L89-L164 HydrophobicContact CG-CD1 4.4Å; L93-L164 HydrophobicContact CD1-CD1 3.74Å; L93-L164 HydrophobicContact CD1-CD2 3.58Å; L93-L164 HydrophobicContact CD1-CG 4.33Å; P105-L164 HydrophobicContact CG-CD2 3.87Å; P105-L164 HydrophobicContact CG-CG 4.4Å; F160-L164 HydrophobicContact CD1-CD1 4.29Å; F160-L164 HydrophobicContact CE1-CD1 3.69Å; F160-L164 HydrophobicContact CE2-CD1 4.32Å; F160-L164 HydrophobicContact CZ-CD1 3.71Å; F160-L164 WeakPolarHBondContact O-CG 3.29Å; F160-L164 PolarHBondContact O-N 2.93Å; L161-L164 PolarHBondContact O-N 3.41Å; L161-L164 VanDerWaalsContact O-N 3.15Å; L164-S166 PolarHBondContact O-N 2.7Å; L164-H167 PolarHBondContact O-N 2.84Å; L164-F170 HydrophobicContact CB-CB 4.29Å; L164-F170 HydrophobicContact CD2-CB 3.94Å; L164-F170 HydrophobicContact CD2-CD2 3.74Å; L164-F170 HydrophobicContact CD2-CE2 4.38Å; L164-F170 HydrophobicContact CD2-CG 3.83Å; L164-K171 PolarHBondContact O-N 3.22Å; L164-F176 HydrophobicContact CB-CD1 4.03Å; L164-F176 HydrophobicContact CB-CD2 4.45Å; L164-F176 HydrophobicContact CB-CE1 3.55Å; L164-F176 HydrophobicContact CB-CE2 4.02Å; L164-F176 HydrophobicContact CB-CG 4.45Å; L164-F176 HydrophobicContact CB-CZ 3.53Å; L164-F176 HydrophobicContact CD1-CD2 3.97Å; L164-F176 HydrophobicContact CD1-CE2 3.9Å; L164-F176 HydrophobicContact CD1-CG 4.41Å; L164-F176 HydrophobicContact CD1-CZ 4.3Å
165	A	97.6	Very high	96.1	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-35	180	0	0	0	0	0	113.6	L45 V47 L161 Q162 K171 F176	L45-A165 HydrophobicContact CB-CB 4.42Å; L45-A165 HydrophobicContact CD2-CB 4.05Å; L45-A165 HydrophobicContact CG-CB 3.92Å; V47-A165 HydrophobicContact CB-CB 4.49Å; V47-A165 HydrophobicContact CG2-CB 3.9Å; L161-A165 WeakPolarHBondContact O-CB 3.44Å; L161-A165 PolarHBondContact O-N 2.92Å; Q162-A165 PolarHBondContact O-N 3.27Å; A165-K171 WeakPolarHBondContact O-CB 3.36Å; A165-F176 HydrophobicContact CB-CE1 4.24Å; A165-F176 HydrophobicContact CB-CZ 4.32Å
166	S	95.3	Very high	96.3	Very high	64 Å²	64	27.2 Å²	27.2	45%	0.448	15%	0.147	S	C	.	.	H	α-helix	trans	-80.3	-16	177.5	66.3	0	0	0	0	114.2	Q162 R163 L164	Q162-S166 VanDerWaalsContact O-CB 3.26Å; Q162-S166 WeakPolarHBondContact O-CB 3.14Å; Q162-S166 PolarHBondContact O-N 2.99Å; Q162-S166 PolarHBondContact O-OG 3.17Å; R163-S166 PolarHBondContact O-OG 2.94Å; R163-S166 VanDerWaalsContact O-OG 3.14Å; L164-S166 PolarHBondContact O-N 2.7Å
167	H	95.9	Very high	96.5	Very high	12 Å²	12	29 Å²	29	6%	0.056	15%	0.152	C	C	.	.	S	Bend	trans	-82.2	132.4	-176.5	-176.2	-68.9	0	0	0	110.8	R163 L164 T169 F170 K171 E377	R163-H167 WeakPolarHBondContact O-CB 3.31Å; R163-H167 PolarHBondContact O-N 2.93Å; L164-H167 PolarHBondContact O-N 2.84Å; H167-T169 VanDerWaalsContact C-N 3.28Å; H167-T169 PolarHBondContact CE1-OG1 3.32Å; H167-T169 PolarHBondContact ND1-N 3.32Å; H167-T169 PolarHBondContact O-N 3.06Å; H167-F170 HydrophobicContact CB-CB 4.12Å; H167-F170 HydrophobicContact CB-CD2 3.64Å; H167-F170 HydrophobicContact CB-CG 4.28Å; H167-F170 AromaticContact CD2-CD2 3.67Å; H167-F170 AromaticContact CD2-CE2 3.74Å; H167-F170 AromaticContact CG-CD2 3.34Å; H167-F170 AromaticContact CG-CE2 3.91Å; H167-F170 AromaticContact ND1-CD2 3.61Å; H167-F170 AromaticContact ND1-CG 3.94Å; H167-F170 PolarHBondContact ND1-N 3.14Å; H167-F170 AromaticContact NE2-CE2 3.91Å; H167-K171 WeakPolarHBondContact O-CB 3.4Å; H167-K171 WeakPolarHBondContact O-CG 3.14Å; H167-K171 PolarHBondContact O-N 3.11Å; H167-E377 IonicContact CD2-OE2 3.94Å; H167-E377 IonicContact NE2-OE2 3.43Å; H167-E377 PolarHBondContact NE2-OE2 3.46Å
168	P	94.6	Very high	96.5	Very high	93 Å²	93	31 Å²	31	60%	0.604	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.3	-172.8	23.3	-34.6	0	0	0	113.6	H172	P168-H172 PolarHBondContact O-CD2 3.3Å
169	T	96.1	Very high	96.5	Very high	61 Å²	61	28.9 Å²	28.9	37%	0.374	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-52.6	176.4	-42.9	0	0	0	0	113.8	Y99 L102 H167 K171 H172	Y99-T169 HydrophobicContact CD1-CG2 4.12Å; Y99-T169 HydrophobicContact CE1-CG2 3.67Å; L102-T169 HydrophobicContact CD1-CG2 4.01Å; H167-T169 VanDerWaalsContact C-N 3.28Å; H167-T169 PolarHBondContact CE1-OG1 3.32Å; H167-T169 PolarHBondContact ND1-N 3.32Å; H167-T169 PolarHBondContact O-N 3.06Å; T169-K171 VanDerWaalsContact C-N 3.26Å; T169-K171 PolarHBondContact O-N 3.34Å; T169-H172 PolarHBondContact O-N 3.01Å; T169-H172 VanDerWaalsContact O-N 3.11Å
170	F	97.3	Very high	96.6	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-62.4	-28.3	-174.7	-61.2	-48.7	0	0	0	114.1	L93 Y99 L102 V104 L164 H167 H172 D173 F176	L93-F170 HydrophobicContact CD2-CD1 4.05Å; L93-F170 HydrophobicContact CD2-CE1 4.4Å; Y99-F170 HydrophobicContact CD1-CE1 4.2Å; Y99-F170 HydrophobicContact CD2-CD1 4.08Å; Y99-F170 AromaticContact CD2-CE1 3.68Å; Y99-F170 HydrophobicContact CD2-CE1 3.68Å; Y99-F170 HydrophobicContact CE2-CD1 4.12Å; Y99-F170 HydrophobicContact CE2-CE1 4.2Å; Y99-F170 HydrophobicContact CG-CD1 4.33Å; Y99-F170 AromaticContact CG-CE1 3.7Å; Y99-F170 HydrophobicContact CG-CE1 3.7Å; L102-F170 HydrophobicContact CB-CE1 4.4Å; L102-F170 HydrophobicContact CB-CE2 4.36Å; L102-F170 HydrophobicContact CB-CZ 3.69Å; L102-F170 HydrophobicContact CD1-CD1 4.49Å; L102-F170 HydrophobicContact CD1-CE1 3.85Å; L102-F170 HydrophobicContact CD1-CZ 3.85Å; L102-F170 HydrophobicContact CG-CZ 4.45Å; V104-F170 HydrophobicContact CB-CZ 4.49Å; V104-F170 HydrophobicContact CG2-CE1 4.32Å; V104-F170 HydrophobicContact CG2-CZ 3.89Å; L164-F170 HydrophobicContact CB-CB 4.29Å; L164-F170 HydrophobicContact CD2-CB 3.94Å; L164-F170 HydrophobicContact CD2-CD2 3.74Å; L164-F170 HydrophobicContact CD2-CE2 4.38Å; L164-F170 HydrophobicContact CD2-CG 3.83Å; H167-F170 HydrophobicContact CB-CB 4.12Å; H167-F170 HydrophobicContact CB-CD2 3.64Å; H167-F170 HydrophobicContact CB-CG 4.28Å; H167-F170 AromaticContact CD2-CD2 3.67Å; H167-F170 AromaticContact CD2-CE2 3.74Å; H167-F170 AromaticContact CG-CD2 3.34Å; H167-F170 AromaticContact CG-CE2 3.91Å; H167-F170 AromaticContact ND1-CD2 3.61Å; H167-F170 AromaticContact ND1-CG 3.94Å; H167-F170 PolarHBondContact ND1-N 3.14Å; H167-F170 AromaticContact NE2-CE2 3.91Å; F170-H172 PolarHBondContact O-N 3.12Å; F170-H172 VanDerWaalsContact O-N 3.09Å; F170-D173 WeakPolarHBondContact O-CB 3.07Å; F170-D173 PolarHBondContact O-N 3.47Å; F170-F176 WeakPolarHBondContact O-CD1 3.27Å
171	K	96.6	Very high	96.6	Very high	42 Å²	42	29.7 Å²	29.7	18%	0.183	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-60.7	-18.5	176.5	75.3	179.8	-168.3	168.2	0	114	E43 L45 L69 L164 A165 H167 T169	E43-K171 PolarHBondContact O-NZ 3.21Å; L45-K171 HydrophobicContact CD2-CB 4.02Å; L69-K171 WeakPolarHBondContact CD1-O 3.48Å; L164-K171 PolarHBondContact O-N 3.22Å; A165-K171 WeakPolarHBondContact O-CB 3.36Å; H167-K171 WeakPolarHBondContact O-CB 3.4Å; H167-K171 WeakPolarHBondContact O-CG 3.14Å; H167-K171 PolarHBondContact O-N 3.11Å; T169-K171 VanDerWaalsContact C-N 3.26Å; T169-K171 PolarHBondContact O-N 3.34Å
172	H	96.3	Very high	96.4	Very high	82 Å²	82	33.7 Å²	33.7	38%	0.38	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-104.1	6.8	175.6	-56.9	-75.5	0	0	0	113.3	E43 L69 P168 T169 F170 H174	E43-H172 IonicContact OE2-CE1 2.69Å; E43-H172 PolarHBondContact OE2-CE1 3.34Å; E43-H172 VanDerWaalsContact OE2-CE1 3.28Å; E43-H172 IonicContact OE2-NE2 3.15Å; L69-H172 WeakPolarHBondContact CD2-CE1 3.48Å; P168-H172 PolarHBondContact O-CD2 3.3Å; T169-H172 PolarHBondContact O-N 3.01Å; T169-H172 VanDerWaalsContact O-N 3.11Å; F170-H172 PolarHBondContact O-N 3.12Å; F170-H172 VanDerWaalsContact O-N 3.09Å; H172-H174 PolarHBondContact O-N 2.94Å
173	D	97.2	Very high	96.1	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.032	21%	0.207	C	C	.	.			trans	-67	131.4	177.9	177.2	64.7	0	0	0	110.9	L93 Y99 F170 G175 F176 R177	L93-D173 HydrophobicContact CD2-CB 4.22Å; Y99-D173 HydrophobicContact CE2-CB 4.38Å; Y99-D173 WeakPolarHBondContact OH-CB 2.97Å; Y99-D173 PolarHBondContact OH-OD1 3.37Å; F170-D173 WeakPolarHBondContact O-CB 3.07Å; F170-D173 PolarHBondContact O-N 3.47Å; D173-G175 VanDerWaalsContact C-N 3.33Å; D173-G175 PolarHBondContact O-N 3.08Å; D173-G175 WeakPolarHBondContact OD2-CA 3.43Å; D173-G175 PolarHBondContact OD2-N 3.46Å; D173-F176 HydrophobicContact CB-CB 3.99Å; D173-F176 PolarHBondContact O-N 2.97Å; D173-F176 PolarHBondContact OD2-N 2.98Å; D173-R177 PolarHBondContact O-N 3.17Å
174	H	95.8	Very high	95.9	Very high	103 Å²	103	46.9 Å²	46.9	48%	0.477	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-40.7	179	177.2	83.1	0	0	0	112.3	H172 F176 R177 V178	H172-H174 PolarHBondContact O-N 2.94Å; H174-F176 VanDerWaalsContact C-N 3.35Å; H174-R177 PolarHBondContact CE1-NH2 3.48Å; H174-R177 PolarHBondContact ND1-NH2 3.46Å; H174-R177 PolarHBondContact O-N 3.43Å; H174-V178 WeakPolarHBondContact O-CG2 3.37Å; H174-V178 PolarHBondContact O-N 3.14Å
175	G	94.8	Very high	95.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-40	179	0	0	0	0	0	111.8	D173 V178 F179	D173-G175 VanDerWaalsContact C-N 3.33Å; D173-G175 PolarHBondContact O-N 3.08Å; D173-G175 WeakPolarHBondContact OD2-CA 3.43Å; D173-G175 PolarHBondContact OD2-N 3.46Å; G175-V178 PolarHBondContact O-N 3.4Å; G175-F179 WeakPolarHBondContact O-CB 3.18Å; G175-F179 PolarHBondContact O-N 3.24Å
176	F	97.8	Very high	94.7	Very high	1 Å²	1	55 Å²	55	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-42.3	175.4	-173.1	-140.6	0	0	0	112.1	L45 L89 L161 L164 A165 F170 D173 H174 V178 F179 L180	L45-F176 HydrophobicContact CD2-CD1 4.36Å; L45-F176 HydrophobicContact CD2-CE1 3.81Å; L89-F176 HydrophobicContact CD1-CB 4.19Å; L89-F176 HydrophobicContact CD1-CD2 4.5Å; L89-F176 HydrophobicContact CD2-CD2 3.66Å; L89-F176 HydrophobicContact CD2-CE2 4.23Å; L161-F176 HydrophobicContact CD2-CE2 3.9Å; L164-F176 HydrophobicContact CB-CD1 4.03Å; L164-F176 HydrophobicContact CB-CD2 4.45Å; L164-F176 HydrophobicContact CB-CE1 3.55Å; L164-F176 HydrophobicContact CB-CE2 4.02Å; L164-F176 HydrophobicContact CB-CG 4.45Å; L164-F176 HydrophobicContact CB-CZ 3.53Å; L164-F176 HydrophobicContact CD1-CD2 3.97Å; L164-F176 HydrophobicContact CD1-CE2 3.9Å; L164-F176 HydrophobicContact CD1-CG 4.41Å; L164-F176 HydrophobicContact CD1-CZ 4.3Å; A165-F176 HydrophobicContact CB-CE1 4.24Å; A165-F176 HydrophobicContact CB-CZ 4.32Å; F170-F176 WeakPolarHBondContact O-CD1 3.27Å; D173-F176 HydrophobicContact CB-CB 3.99Å; D173-F176 PolarHBondContact O-N 2.97Å; D173-F176 PolarHBondContact OD2-N 2.98Å; H174-F176 VanDerWaalsContact C-N 3.35Å; F176-V178 PolarHBondContact O-N 3.46Å; F176-F179 HydrophobicContact CD2-CD1 4.43Å; F176-F179 WeakPolarHBondContact O-CB 3.41Å; F176-F179 PolarHBondContact O-N 3.45Å; F176-L180 HydrophobicContact CD1-CD1 4.26Å; F176-L180 HydrophobicContact CD2-CD1 4.13Å; F176-L180 HydrophobicContact CD2-CG 4.08Å; F176-L180 HydrophobicContact CE1-CD1 3.87Å; F176-L180 HydrophobicContact CE2-CD1 3.74Å; F176-L180 HydrophobicContact CE2-CD2 3.92Å; F176-L180 HydrophobicContact CE2-CG 3.81Å; F176-L180 HydrophobicContact CG-CD1 4.4Å; F176-L180 HydrophobicContact CZ-CD1 3.61Å; F176-L180 HydrophobicContact CZ-CD2 4.34Å; F176-L180 HydrophobicContact CZ-CG 4.2Å; F176-L180 WeakPolarHBondContact O-CG 3.45Å; F176-L180 PolarHBondContact O-N 3.29Å
177	R	96.9	Very high	93.9	Very high	63 Å²	63	58.1 Å²	58.1	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-47.8	172.4	-177.4	-176.9	63.8	172.3	-2.5	111.8	D71 F72 D173 H174 F179 L180 E181	D71-R177 VanDerWaalsContact O-CD 3.28Å; D71-R177 WeakPolarHBondContact O-CD 3.38Å; D71-R177 PolarHBondContact O-NH1 3.32Å; F72-R177 HydrophobicContact CD1-CG 4.13Å; F72-R177 HydrophobicContact CD2-CG 4.2Å; F72-R177 HydrophobicContact CE1-CG 3.91Å; F72-R177 HydrophobicContact CE2-CB 4.43Å; F72-R177 HydrophobicContact CE2-CG 3.98Å; F72-R177 HydrophobicContact CG-CG 4.28Å; F72-R177 HydrophobicContact CZ-CB 4.17Å; F72-R177 HydrophobicContact CZ-CG 3.83Å; D173-R177 PolarHBondContact O-N 3.17Å; H174-R177 PolarHBondContact CE1-NH2 3.48Å; H174-R177 PolarHBondContact ND1-NH2 3.46Å; H174-R177 PolarHBondContact O-N 3.43Å; R177-F179 VanDerWaalsContact C-N 3.27Å; R177-F179 PolarHBondContact O-N 3.45Å; R177-L180 PolarHBondContact O-N 3.48Å; R177-L180 VanDerWaalsContact O-N 3.08Å; R177-E181 WeakPolarHBondContact O-CB 3.43Å; R177-E181 PolarHBondContact O-N 3Å
178	V	95.8	Very high	93.1	Very high	42 Å²	42	59 Å²	59	26%	0.255	29%	0.293	S	S	.	.	H	α-helix	trans	-58.4	-42.7	175.7	169.7	0	0	0	0	110.5	R81 H174 G175 F176 L180 E181 F182 L186	R81-V178 PolarHBondContact NH2-O 3.36Å; H174-V178 WeakPolarHBondContact O-CG2 3.37Å; H174-V178 PolarHBondContact O-N 3.14Å; G175-V178 PolarHBondContact O-N 3.4Å; F176-V178 PolarHBondContact O-N 3.46Å; V178-L180 VanDerWaalsContact C-N 3.28Å; V178-L180 PolarHBondContact O-N 3.47Å; V178-E181 PolarHBondContact O-N 2.94Å; V178-F182 HydrophobicContact CG1-CB 4.18Å; V178-F182 WeakPolarHBondContact O-CB 3.07Å; V178-F182 PolarHBondContact O-N 3.02Å; V178-L186 HydrophobicContact CG1-CD2 3.73Å
179	F	97.6	Very high	92	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-36.3	175.5	179.7	-86.3	0	0	0	112.8	I63 R81 E85 F86 W88 L89 L161 G175 F176 R177 L186	I63-F179 HydrophobicContact CD1-CE1 3.56Å; I63-F179 HydrophobicContact CD1-CZ 3.88Å; R81-F179 HydrophobicContact CB-CE2 4.1Å; R81-F179 HydrophobicContact CB-CZ 3.86Å; R81-F179 HydrophobicContact CG-CD2 4.33Å; R81-F179 HydrophobicContact CG-CE1 4.04Å; R81-F179 HydrophobicContact CG-CE2 3.78Å; R81-F179 HydrophobicContact CG-CZ 3.62Å; R81-F179 PolarHBondContact NE-O 2.93Å; R81-F179 PolarHBondContact NH2-O 2.82Å; E85-F179 HydrophobicContact CB-CD2 4.37Å; E85-F179 HydrophobicContact CB-CE2 3.84Å; F86-F179 HydrophobicContact CD1-CZ 4.11Å; F86-F179 HydrophobicContact CD2-CE2 4.33Å; F86-F179 AromaticContact CD2-CZ 3.97Å; F86-F179 HydrophobicContact CD2-CZ 3.97Å; F86-F179 HydrophobicContact CE1-CZ 4Å; F86-F179 AromaticContact CE2-CZ 3.84Å; F86-F179 HydrophobicContact CE2-CZ 3.84Å; F86-F179 HydrophobicContact CG-CE2 4.46Å; F86-F179 HydrophobicContact CG-CZ 4.1Å; F86-F179 AromaticContact CZ-CZ 3.86Å; F86-F179 HydrophobicContact CZ-CZ 3.86Å; W88-F179 HydrophobicContact CZ3-CB 4.34Å; W88-F179 HydrophobicContact CZ3-CD2 4.43Å; L89-F179 HydrophobicContact CB-CD2 4.18Å; L89-F179 HydrophobicContact CD2-CB 4.09Å; L89-F179 HydrophobicContact CD2-CD1 3.9Å; L89-F179 HydrophobicContact CD2-CD2 3.96Å; L89-F179 HydrophobicContact CD2-CE1 4.31Å; L89-F179 HydrophobicContact CD2-CE2 4.34Å; L89-F179 HydrophobicContact CD2-CG 3.72Å; L161-F179 HydrophobicContact CD1-CE1 4.33Å; L161-F179 HydrophobicContact CD2-CD1 4.13Å; L161-F179 HydrophobicContact CD2-CE1 3.41Å; L161-F179 VanDerWaalsContact CD2-CE1 3.41Å; L161-F179 HydrophobicContact CD2-CZ 4.09Å; G175-F179 WeakPolarHBondContact O-CB 3.18Å; G175-F179 PolarHBondContact O-N 3.24Å; F176-F179 HydrophobicContact CD2-CD1 4.43Å; F176-F179 WeakPolarHBondContact O-CB 3.41Å; F176-F179 PolarHBondContact O-N 3.45Å; R177-F179 VanDerWaalsContact C-N 3.27Å; R177-F179 PolarHBondContact O-N 3.45Å; F179-L186 HydrophobicContact CD2-CD1 3.93Å
180	L	97.8	Very high	90.6	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-87	-24.4	-178.2	-66	177.1	0	0	0	114.7	L45 V47 I63 T65 F72 C77 V79 F176 R177 V178	L45-L180 HydrophobicContact CD1-CD1 4.23Å; L45-L180 HydrophobicContact CD2-CD1 4.18Å; V47-L180 HydrophobicContact CG1-CD2 3.84Å; V47-L180 HydrophobicContact CG2-CD1 3.81Å; V47-L180 HydrophobicContact CG2-CD2 4.1Å; I63-L180 HydrophobicContact CG2-CD2 3.9Å; T65-L180 HydrophobicContact CG2-CB 4.41Å; T65-L180 HydrophobicContact CG2-CD1 4.17Å; F72-L180 HydrophobicContact CE1-CB 4.11Å; F72-L180 HydrophobicContact CE1-CD1 4.41Å; F72-L180 HydrophobicContact CZ-CD1 4.18Å; C77-L180 PolarHBondContact SG-O 2.63Å; V79-L180 WeakPolarHBondContact CG1-O 3.44Å; V79-L180 VanDerWaalsContact CG2-O 3.32Å; V79-L180 WeakPolarHBondContact CG2-O 3.37Å; F176-L180 HydrophobicContact CD1-CD1 4.26Å; F176-L180 HydrophobicContact CD2-CD1 4.13Å; F176-L180 HydrophobicContact CD2-CG 4.08Å; F176-L180 HydrophobicContact CE1-CD1 3.87Å; F176-L180 HydrophobicContact CE2-CD1 3.74Å; F176-L180 HydrophobicContact CE2-CD2 3.92Å; F176-L180 HydrophobicContact CE2-CG 3.81Å; F176-L180 HydrophobicContact CG-CD1 4.4Å; F176-L180 HydrophobicContact CZ-CD1 3.61Å; F176-L180 HydrophobicContact CZ-CD2 4.34Å; F176-L180 HydrophobicContact CZ-CG 4.2Å; F176-L180 WeakPolarHBondContact O-CG 3.45Å; F176-L180 PolarHBondContact O-N 3.29Å; R177-L180 PolarHBondContact O-N 3.48Å; R177-L180 VanDerWaalsContact O-N 3.08Å; V178-L180 VanDerWaalsContact C-N 3.28Å; V178-L180 PolarHBondContact O-N 3.47Å
181	E	96	Very high	89.2	Confident	25 Å²	25	68.9 Å²	68.9	12%	0.117	32%	0.322	C	S	.	.	H	α-helix	trans	-112.2	-25.8	-170.4	-175	-178.6	-106.3	0	0	114.2	F72 K73 R177 V178 E183	F72-E181 HydrophobicContact CD1-CB 4.41Å; K73-E181 WeakPolarHBondContact CB-OE1 3.41Å; K73-E181 WeakPolarHBondContact CD-OE2 3.38Å; K73-E181 WeakPolarHBondContact CE-OE2 3.35Å; K73-E181 PolarHBondContact N-OE1 3.16Å; R177-E181 WeakPolarHBondContact O-CB 3.43Å; R177-E181 PolarHBondContact O-N 3Å; V178-E181 PolarHBondContact O-N 2.94Å; E181-E183 PolarHBondContact O-N 2.86Å; E181-E183 VanDerWaalsContact O-N 3.11Å
182	F	95	Very high	88	Confident	85 Å²	85	70.3 Å²	70.3	37%	0.373	33%	0.334	S	S	.	.			trans	-68.7	113.3	-173.6	-170.3	-109.2	0	0	0	111.4	R81 V178 E184 L186	R81-F182 PolarHBondContact NH1-O 3.09Å; R81-F182 VanDerWaalsContact NH1-O 3.16Å; R81-F182 PolarHBondContact NH2-O 3.42Å; V178-F182 HydrophobicContact CG1-CB 4.18Å; V178-F182 WeakPolarHBondContact O-CB 3.07Å; V178-F182 PolarHBondContact O-N 3.02Å; F182-E184 VanDerWaalsContact C-N 3.32Å; F182-E184 HydrophobicContact CD1-CB 4.23Å; F182-E184 VanDerWaalsContact CD1-O 3.27Å; F182-E184 WeakPolarHBondContact CD1-O 3.19Å; F182-E184 HydrophobicContact CE1-CB 3.6Å; F182-E184 HydrophobicContact CZ-CB 3.96Å; F182-E184 PolarHBondContact O-N 3.43Å; F182-L186 HydrophobicContact CB-CD2 3.99Å; F182-L186 HydrophobicContact CD1-CD2 3.65Å; F182-L186 HydrophobicContact CD1-CG 4.44Å; F182-L186 HydrophobicContact CE1-CD2 4.49Å; F182-L186 HydrophobicContact CG-CD2 4.1Å
183	E	91.3	Very high	86.6	Confident	158 Å²	158	77.3 Å²	77.3	74%	0.738	36%	0.357	S	S	*	.			trans	-67.3	-30.5	-170.9	-65	177.6	-173.5	0	0	113.7	E181	E181-E183 PolarHBondContact O-N 2.86Å; E181-E183 VanDerWaalsContact O-N 3.11Å
184	E	91.1	Very high	85.2	Confident	140 Å²	140	85.3 Å²	85.3	65%	0.654	39%	0.391	S	S	*	.	S	Bend	trans	-85.4	172.9	179.6	-59.5	180	-177.1	0	0	112	R81 F182 L186	R81-E184 PolarHBondContact NH1-O 3.03Å; R81-E184 VanDerWaalsContact NH1-O 3.13Å; F182-E184 VanDerWaalsContact C-N 3.32Å; F182-E184 HydrophobicContact CD1-CB 4.23Å; F182-E184 VanDerWaalsContact CD1-O 3.27Å; F182-E184 WeakPolarHBondContact CD1-O 3.19Å; F182-E184 HydrophobicContact CE1-CB 3.6Å; F182-E184 HydrophobicContact CZ-CB 3.96Å; F182-E184 PolarHBondContact O-N 3.43Å; E184-L186 PolarHBondContact O-N 3.39Å
185	E	84.6	Confident	84.2	Confident	143 Å²	143	83.3 Å²	83.3	67%	0.668	38%	0.382	S	S	*	.			trans	-64	132.5	170.5	-64	-175.6	178.6	0	0	110	N187	E185-N187 PolarHBondContact O-N 2.97Å; E185-N187 PolarHBondContact O-ND2 3.38Å
186	L	85.8	Confident	83.2	Confident	32 Å²	32	89.7 Å²	89.7	17%	0.168	41%	0.41	C	S	.	.			trans	-66.5	-8.2	179.5	-64.6	168.6	0	0	0	112.9	E85 W88 V178 F179 F182 E184 V188	E85-L186 HydrophobicContact CB-CD1 4.21Å; E85-L186 HydrophobicContact CG-CB 4.31Å; E85-L186 HydrophobicContact CG-CD1 4.13Å; E85-L186 WeakPolarHBondContact OE1-CB 3.49Å; E85-L186 WeakPolarHBondContact OE1-CG 3.27Å; E85-L186 PolarHBondContact OE1-N 3.47Å; W88-L186 HydrophobicContact CE3-CD1 4.18Å; W88-L186 HydrophobicContact CZ3-CD1 3.93Å; V178-L186 HydrophobicContact CG1-CD2 3.73Å; F179-L186 HydrophobicContact CD2-CD1 3.93Å; F182-L186 HydrophobicContact CB-CD2 3.99Å; F182-L186 HydrophobicContact CD1-CD2 3.65Å; F182-L186 HydrophobicContact CD1-CG 4.44Å; F182-L186 HydrophobicContact CE1-CD2 4.49Å; F182-L186 HydrophobicContact CG-CD2 4.1Å; E184-L186 PolarHBondContact O-N 3.39Å; L186-V188 HydrophobicContact CB-CG1 4.04Å; L186-V188 PolarHBondContact O-N 3.45Å; L186-V188 VanDerWaalsContact O-N 3.09Å
187	N	78.5	Confident	81.6	Confident	131 Å²	131	92.2 Å²	92.2	70%	0.701	43%	0.43	S	S	*	.			trans	46.9	41.7	-178.4	-76.7	-65.9	0	0	0	112.3	E185 R189	E185-N187 PolarHBondContact O-N 2.97Å; E185-N187 PolarHBondContact O-ND2 3.38Å; N187-R189 PolarHBondContact O-N 2.9Å; N187-R189 VanDerWaalsContact O-N 3.16Å
188	V	79.1	Confident	80.3	Confident	30 Å²	30	92.3 Å²	92.3	18%	0.182	44%	0.438	C	S	.	.			trans	-61.5	119.8	179.6	-78.1	0	0	0	0	109.6	E85 W88 L186 N190	E85-V188 HydrophobicContact CB-CG2 4.3Å; E85-V188 HydrophobicContact CG-CG1 4.37Å; E85-V188 HydrophobicContact CG-CG2 3.38Å; W88-V188 HydrophobicContact CB-CB 4.13Å; W88-V188 HydrophobicContact CB-CG1 3.6Å; W88-V188 HydrophobicContact CD2-CG1 3.6Å; W88-V188 HydrophobicContact CE3-CG1 4.19Å; W88-V188 HydrophobicContact CG-CB 4.22Å; W88-V188 HydrophobicContact CG-CG1 3.29Å; L186-V188 HydrophobicContact CB-CG1 4.04Å; L186-V188 PolarHBondContact O-N 3.45Å; L186-V188 VanDerWaalsContact O-N 3.09Å; V188-N190 PolarHBondContact O-N 3.01Å
189	R	70.7	Confident	79	Confident	185 Å²	185	92.6 Å²	92.6	70%	0.698	44%	0.438	S	S	*	.			trans	-59.6	114.9	-178.2	179.2	176.5	171	-153.6	-13.8	109.5	N187 K191 T192 E195	N187-R189 PolarHBondContact O-N 2.9Å; N187-R189 VanDerWaalsContact O-N 3.16Å; R189-K191 PolarHBondContact O-N 2.77Å; R189-T192 PolarHBondContact NH2-OG1 3.34Å; R189-E195 IonicContact CZ-OE1 3.62Å; R189-E195 IonicContact NH1-OE1 3.26Å; R189-E195 IonicContact NH2-OE1 3.67Å; R189-E195 PolarHBondContact NH2-OE1 3.04Å; R189-E195 IonicContact NH2-OE2 3.69Å; R189-E195 PolarHBondContact NH2-OE2 3.41Å
190	N	67.2	Low	77.6	Confident	103 Å²	103	98.9 Å²	98.9	55%	0.551	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-58.2	126.7	170	-82	-45.6	0	0	0	110	V188 T192	V188-N190 PolarHBondContact O-N 3.01Å; N190-T192 PolarHBondContact O-N 3.36Å
191	K	68	Low	75.7	Confident	75 Å²	75	104.4 Å²	104.4	33%	0.326	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-60.6	122.7	175.7	-65	-176.9	179.5	176.1	0	109.6	D91 R189 E195 K196 D199	D91-K191 WeakPolarHBondContact OD2-CE 3.48Å; D91-K191 IonicContact OD2-NZ 2.79Å; D91-K191 PolarHBondContact OD2-NZ 3.01Å; R189-K191 PolarHBondContact O-N 2.77Å; K191-E195 WeakPolarHBondContact CA-OE2 3.46Å; K191-E195 HydrophobicContact CB-CB 4.08Å; K191-K196 HydrophobicContact CB-CG 3.96Å; K191-K196 WeakPolarHBondContact O-CE 3.48Å; K191-D199 WeakPolarHBondContact CD-OD2 3.38Å; K191-D199 VanDerWaalsContact CE-OD2 3.28Å; K191-D199 WeakPolarHBondContact CE-OD2 3.46Å; K191-D199 IonicContact NZ-OD2 2.72Å; K191-D199 PolarHBondContact NZ-OD2 3.44Å
192	T	70.1	Confident	74.5	Confident	71 Å²	71	110.7 Å²	110.7	44%	0.436	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-60.3	156.3	177.6	-28.1	0	0	0	0	109.7	R189 N190 K194 E195 K196	R189-T192 PolarHBondContact NH2-OG1 3.34Å; N190-T192 PolarHBondContact O-N 3.36Å; T192-K194 PolarHBondContact O-N 3.47Å; T192-K194 VanDerWaalsContact O-N 3.08Å; T192-E195 WeakPolarHBondContact CB-OE2 3.34Å; T192-E195 PolarHBondContact N-OE2 3.45Å; T192-E195 WeakPolarHBondContact O-CA 3.27Å; T192-E195 WeakPolarHBondContact O-CB 3.38Å; T192-E195 PolarHBondContact O-N 3.33Å; T192-E195 VanDerWaalsContact OG1-CD 3.32Å; T192-E195 PolarHBondContact OG1-OE2 3.15Å; T192-K196 PolarHBondContact O-N 3.19Å
193	R	68.6	Low	73.4	Confident	229 Å²	229	109.3 Å²	109.3	86%	0.864	52%	0.518	S	S	*	.	H	α-helix	trans	-53	-35.5	177.4	-167.6	176.5	-175.9	177.2	1.8	113	A197	R193-A197 PolarHBondContact O-N 2.68Å
194	K	67.6	Low	71.6	Confident	174 Å²	174	105.5 Å²	105.5	76%	0.757	51%	0.505	S	S	*	.	H	α-helix	trans	-65	-45.4	172.7	-71.7	-174	177.3	-178.8	0	112.5	T192 A197 V198	T192-K194 PolarHBondContact O-N 3.47Å; T192-K194 VanDerWaalsContact O-N 3.08Å; K194-A197 WeakPolarHBondContact O-CB 3.2Å; K194-A197 PolarHBondContact O-N 3.41Å; K194-V198 WeakPolarHBondContact O-CG2 3.4Å; K194-V198 PolarHBondContact O-N 3.39Å
195	E	74.1	Confident	70.3	Confident	62 Å²	62	102.3 Å²	102.3	29%	0.29	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-41.4	177.7	-70.1	164.4	160.8	0	0	110.8	R189 K191 T192 A197 V198 D199	R189-E195 IonicContact CZ-OE1 3.62Å; R189-E195 IonicContact NH1-OE1 3.26Å; R189-E195 IonicContact NH2-OE1 3.67Å; R189-E195 PolarHBondContact NH2-OE1 3.04Å; R189-E195 IonicContact NH2-OE2 3.69Å; R189-E195 PolarHBondContact NH2-OE2 3.41Å; K191-E195 WeakPolarHBondContact CA-OE2 3.46Å; K191-E195 HydrophobicContact CB-CB 4.08Å; T192-E195 WeakPolarHBondContact CB-OE2 3.34Å; T192-E195 PolarHBondContact N-OE2 3.45Å; T192-E195 WeakPolarHBondContact O-CA 3.27Å; T192-E195 WeakPolarHBondContact O-CB 3.38Å; T192-E195 PolarHBondContact O-N 3.33Å; T192-E195 VanDerWaalsContact OG1-CD 3.32Å; T192-E195 PolarHBondContact OG1-OE2 3.15Å; E195-A197 VanDerWaalsContact C-N 3.28Å; E195-A197 PolarHBondContact O-N 2.89Å; E195-V198 CarbonylContact O-C 3.57Å; E195-V198 PolarHBondContact O-N 2.93Å; E195-V198 VanDerWaalsContact O-N 3.15Å; E195-D199 WeakPolarHBondContact O-CB 3.33Å; E195-D199 PolarHBondContact O-N 2.88Å
196	K	73	Confident	69.5	Low	135 Å²	135	98.4 Å²	98.4	59%	0.587	48%	0.48	S	S	*	.	H	α-helix	trans	-59	-38.5	172	-68.1	-174.8	177.5	-176.8	0	112.5	K191 T192 F200	K191-K196 HydrophobicContact CB-CG 3.96Å; K191-K196 WeakPolarHBondContact O-CE 3.48Å; T192-K196 PolarHBondContact O-N 3.19Å; K196-F200 WeakPolarHBondContact O-CB 3.24Å; K196-F200 PolarHBondContact O-N 3.15Å
197	A	64.2	Low	68.8	Low	53 Å²	53	99.9 Å²	99.9	44%	0.438	49%	0.493	S	S	.	.	H	α-helix	trans	-69.8	-39.4	175.3	0	0	0	0	0	112.1	R193 K194 E195 F200 L201	R193-A197 PolarHBondContact O-N 2.68Å; K194-A197 WeakPolarHBondContact O-CB 3.2Å; K194-A197 PolarHBondContact O-N 3.41Å; E195-A197 VanDerWaalsContact C-N 3.28Å; E195-A197 PolarHBondContact O-N 2.89Å; A197-F200 PolarHBondContact O-N 3.46Å; A197-L201 WeakPolarHBondContact O-CG 3.37Å; A197-L201 PolarHBondContact O-N 2.89Å
198	V	70.7	Confident	68.2	Low	66 Å²	66	96.3 Å²	96.3	40%	0.4	48%	0.481	S	S	.	.	H	α-helix	trans	-63.7	-42.2	173.7	170.7	0	0	0	0	110.7	K194 E195 F200 L201 R202	K194-V198 WeakPolarHBondContact O-CG2 3.4Å; K194-V198 PolarHBondContact O-N 3.39Å; E195-V198 CarbonylContact O-C 3.57Å; E195-V198 PolarHBondContact O-N 2.93Å; E195-V198 VanDerWaalsContact O-N 3.15Å; V198-F200 VanDerWaalsContact C-N 3.34Å; V198-L201 PolarHBondContact O-N 2.85Å; V198-R202 HydrophobicContact CG1-CG 4.42Å; V198-R202 WeakPolarHBondContact O-CB 3.33Å; V198-R202 WeakPolarHBondContact O-CG 3.38Å; V198-R202 PolarHBondContact O-N 3.47Å
199	D	68.1	Low	68	Low	47 Å²	47	96.7 Å²	96.7	25%	0.251	48%	0.482	S	S	.	.	H	α-helix	trans	-65.8	-37.8	176.6	-76.2	-2.1	0	0	0	111.9	K191 E195 R202 S203	K191-D199 WeakPolarHBondContact CD-OD2 3.38Å; K191-D199 VanDerWaalsContact CE-OD2 3.28Å; K191-D199 WeakPolarHBondContact CE-OD2 3.46Å; K191-D199 IonicContact NZ-OD2 2.72Å; K191-D199 PolarHBondContact NZ-OD2 3.44Å; E195-D199 WeakPolarHBondContact O-CB 3.33Å; E195-D199 PolarHBondContact O-N 2.88Å; D199-R202 PolarHBondContact O-N 2.94Å; D199-S203 WeakPolarHBondContact O-CB 3.28Å; D199-S203 PolarHBondContact O-N 3.24Å; D199-S203 PolarHBondContact O-OG 3.27Å
200	F	67.5	Low	68.3	Low	133 Å²	133	88.5 Å²	88.5	58%	0.583	45%	0.452	S	S	*	.	H	α-helix	trans	-62.8	-44	171.1	178.5	-94.6	0	0	0	111.7	K196 A197 V198 R202 S203 V204	K196-F200 WeakPolarHBondContact O-CB 3.24Å; K196-F200 PolarHBondContact O-N 3.15Å; A197-F200 PolarHBondContact O-N 3.46Å; V198-F200 VanDerWaalsContact C-N 3.34Å; F200-R202 VanDerWaalsContact C-N 3.34Å; F200-R202 PolarHBondContact O-N 3.35Å; F200-S203 PolarHBondContact O-N 3.31Å; F200-S203 PolarHBondContact O-OG 2.8Å; F200-V204 HydrophobicContact CD1-CG2 4.33Å; F200-V204 HydrophobicContact CE1-CG2 3.9Å; F200-V204 HydrophobicContact CE2-CG2 4.28Å; F200-V204 HydrophobicContact CZ-CG2 3.88Å; F200-V204 VanDerWaalsContact O-CG2 3.31Å; F200-V204 WeakPolarHBondContact O-CG2 3.39Å; F200-V204 PolarHBondContact O-N 2.59Å
201	L	59	Low	68.8	Low	116 Å²	116	86.8 Å²	86.8	61%	0.607	45%	0.445	S	S	*	.	H	α-helix	trans	-64.7	-39.1	175.3	-71.2	170.8	0	0	0	111.7	A197 V198 S205	A197-L201 WeakPolarHBondContact O-CG 3.37Å; A197-L201 PolarHBondContact O-N 2.89Å; V198-L201 PolarHBondContact O-N 2.85Å; L201-S205 WeakPolarHBondContact O-CB 3.36Å; L201-S205 PolarHBondContact O-N 3.47Å
202	R	70.5	Confident	69.2	Low	156 Å²	156	88 Å²	88	59%	0.589	46%	0.455	S	S	*	.	H	α-helix	trans	-65.6	-40.1	174.2	-77	-179.1	-171.6	-179.4	3.2	111.6	V198 D199 F200 S205 K206	V198-R202 HydrophobicContact CG1-CG 4.42Å; V198-R202 WeakPolarHBondContact O-CB 3.33Å; V198-R202 WeakPolarHBondContact O-CG 3.38Å; V198-R202 PolarHBondContact O-N 3.47Å; D199-R202 PolarHBondContact O-N 2.94Å; F200-R202 VanDerWaalsContact C-N 3.34Å; F200-R202 PolarHBondContact O-N 3.35Å; R202-S205 PolarHBondContact O-N 3.46Å; R202-K206 WeakPolarHBondContact O-CA 3.48Å; R202-K206 WeakPolarHBondContact O-CB 3.49Å; R202-K206 PolarHBondContact O-N 2.88Å
203	S	71	Confident	69.4	Low	57 Å²	57	88 Å²	88	40%	0.399	45%	0.447	S	S	.	.	H	α-helix	trans	-69.5	-40.9	179	69.7	0	0	0	0	111.3	D199 F200 K206 S207	D199-S203 WeakPolarHBondContact O-CB 3.28Å; D199-S203 PolarHBondContact O-N 3.24Å; D199-S203 PolarHBondContact O-OG 3.27Å; F200-S203 PolarHBondContact O-N 3.31Å; F200-S203 PolarHBondContact O-OG 2.8Å; S203-K206 PolarHBondContact O-N 2.87Å; S203-S207 PolarHBondContact O-N 3.47Å; S203-S207 PolarHBondContact O-OG 2.9Å
204	V	55.2	Low	69.9	Low	77 Å²	77	78.3 Å²	78.3	47%	0.467	41%	0.412	S	S	.	.	H	α-helix	trans	-63.5	-46.5	172.6	172.6	0	0	0	0	110.9	F200 K206 S207 A208	F200-V204 HydrophobicContact CD1-CG2 4.33Å; F200-V204 HydrophobicContact CE1-CG2 3.9Å; F200-V204 HydrophobicContact CE2-CG2 4.28Å; F200-V204 HydrophobicContact CZ-CG2 3.88Å; F200-V204 VanDerWaalsContact O-CG2 3.31Å; F200-V204 WeakPolarHBondContact O-CG2 3.39Å; F200-V204 PolarHBondContact O-N 2.59Å; V204-K206 VanDerWaalsContact C-N 3.32Å; V204-K206 PolarHBondContact O-N 3.47Å; V204-S207 PolarHBondContact O-N 2.96Å; V204-A208 WeakPolarHBondContact O-CB 3.46Å; V204-A208 PolarHBondContact O-N 3.31Å
205	S	62.2	Low	70.2	Confident	74 Å²	74	75.8 Å²	75.8	52%	0.517	41%	0.407	S	S	.	.	H	α-helix	trans	-61.1	-41.9	175.2	-175.1	0	0	0	0	111.2	L201 R202 A208 D209	L201-S205 WeakPolarHBondContact O-CB 3.36Å; L201-S205 PolarHBondContact O-N 3.47Å; R202-S205 PolarHBondContact O-N 3.46Å; S205-A208 PolarHBondContact O-N 3.2Å; S205-D209 WeakPolarHBondContact O-CB 3.38Å; S205-D209 PolarHBondContact O-N 3.05Å
206	K	68.7	Low	70.4	Confident	61 Å²	61	78.3 Å²	78.3	27%	0.265	42%	0.422	S	S	.	.	H	α-helix	trans	-63.9	-45.4	177.1	-173.4	-171.2	-179.4	-164.5	0	109.9	R202 S203 V204 A208 D209 E210 D324 Y327	R202-K206 WeakPolarHBondContact O-CA 3.48Å; R202-K206 WeakPolarHBondContact O-CB 3.49Å; R202-K206 PolarHBondContact O-N 2.88Å; S203-K206 PolarHBondContact O-N 2.87Å; V204-K206 VanDerWaalsContact C-N 3.32Å; V204-K206 PolarHBondContact O-N 3.47Å; K206-A208 PolarHBondContact O-N 2.99Å; K206-D209 PolarHBondContact O-N 2.88Å; K206-E210 WeakPolarHBondContact O-CA 3.48Å; K206-E210 WeakPolarHBondContact O-CB 3.39Å; K206-E210 PolarHBondContact O-N 3.28Å; K206-D324 VanDerWaalsContact CE-OD1 3.24Å; K206-D324 WeakPolarHBondContact CE-OD1 3.44Å; K206-D324 IonicContact NZ-OD1 2.72Å; K206-D324 PolarHBondContact NZ-OD1 3.22Å; K206-D324 IonicContact NZ-OD2 3.44Å; K206-D324 PolarHBondContact NZ-OD2 3.19Å; K206-Y327 HydrophobicContact CG-CE1 4.12Å
207	S	71.1	Confident	70.6	Confident	63 Å²	63	73 Å²	73	44%	0.441	40%	0.4	S	S	.	.	H	α-helix	trans	-65.1	-37.7	178.1	-65.5	0	0	0	0	113.1	S203 V204 T211	S203-S207 PolarHBondContact O-N 3.47Å; S203-S207 PolarHBondContact O-OG 2.9Å; V204-S207 PolarHBondContact O-N 2.96Å; S207-T211 WeakPolarHBondContact O-CB 3.44Å; S207-T211 PolarHBondContact O-N 3.22Å; S207-T211 PolarHBondContact O-OG1 3.18Å
208	A	66.6	Low	71.4	Confident	55 Å²	55	80.9 Å²	80.9	46%	0.455	42%	0.418	S	S	.	.	H	α-helix	trans	-68	-47.7	174.3	0	0	0	0	0	111.3	V204 S205 K206 T211 L212	V204-A208 WeakPolarHBondContact O-CB 3.46Å; V204-A208 PolarHBondContact O-N 3.31Å; S205-A208 PolarHBondContact O-N 3.2Å; K206-A208 PolarHBondContact O-N 2.99Å; A208-T211 PolarHBondContact O-N 3.49Å; A208-L212 WeakPolarHBondContact O-CB 3.45Å; A208-L212 VanDerWaalsContact O-CG 3.27Å; A208-L212 WeakPolarHBondContact O-CG 3.4Å; A208-L212 PolarHBondContact O-N 3.07Å
209	D	74	Confident	72	Confident	38 Å²	38	78.5 Å²	78.5	20%	0.203	40%	0.403	C	S	.	.	H	α-helix	trans	-61.9	-45.4	176.5	-159.8	51.1	0	0	0	110.5	S205 K206 T211 L212 W213 Y327 R331	S205-D209 WeakPolarHBondContact O-CB 3.38Å; S205-D209 PolarHBondContact O-N 3.05Å; K206-D209 PolarHBondContact O-N 2.88Å; D209-T211 PolarHBondContact O-N 3.38Å; D209-L212 CarbonylContact O-C 3.54Å; D209-L212 WeakPolarHBondContact O-CB 3.38Å; D209-L212 PolarHBondContact O-N 3.18Å; D209-L212 VanDerWaalsContact O-N 3.12Å; D209-W213 PolarHBondContact O-N 3.41Å; D209-W213 PolarHBondContact OD1-NE1 2.96Å; D209-W213 PolarHBondContact OD2-NE1 2.98Å; D209-Y327 PolarHBondContact OD2-OH 3.48Å; D209-R331 IonicContact OD1-NH1 2.82Å; D209-R331 IonicContact OD2-CZ 3.21Å; D209-R331 IonicContact OD2-NH1 3.13Å; D209-R331 PolarHBondContact OD2-NH1 3.02Å
210	E	78.1	Confident	72.9	Confident	14 Å²	14	84 Å²	84	7%	0.065	43%	0.433	C	S	.	.	H	α-helix	trans	-55	-50.4	175.3	-178.9	-162.7	156.9	0	0	110.9	K206 L212 W213 L214 R323 Y327	K206-E210 WeakPolarHBondContact O-CA 3.48Å; K206-E210 WeakPolarHBondContact O-CB 3.39Å; K206-E210 PolarHBondContact O-N 3.28Å; E210-L212 VanDerWaalsContact C-N 3.31Å; E210-L212 PolarHBondContact O-N 3.24Å; E210-W213 PolarHBondContact O-N 3.15Å; E210-L214 HydrophobicContact CG-CD1 3.6Å; E210-L214 HydrophobicContact CG-CG 4.18Å; E210-L214 WeakPolarHBondContact O-CB 3.46Å; E210-L214 WeakPolarHBondContact O-CG 3.45Å; E210-L214 PolarHBondContact O-N 3.31Å; E210-R323 IonicContact OE1-CZ 2.66Å; E210-R323 IonicContact OE1-NE 2.87Å; E210-R323 PolarHBondContact OE1-NE 3.42Å; E210-R323 IonicContact OE1-NH1 3.95Å; E210-R323 IonicContact OE1-NH2 2.59Å; E210-R323 PolarHBondContact OE1-NH2 2.7Å; E210-Y327 HydrophobicContact CB-CD2 3.93Å; E210-Y327 HydrophobicContact CB-CE2 4.29Å; E210-Y327 HydrophobicContact CB-CG 4.21Å; E210-Y327 HydrophobicContact CG-CD2 4.12Å; E210-Y327 HydrophobicContact CG-CG 4.07Å
211	T	77.6	Confident	74	Confident	66 Å²	66	80.9 Å²	80.9	41%	0.405	42%	0.422	S	S	.	.	H	α-helix	trans	-62.5	-40.7	177.9	-56.6	0	0	0	0	111.3	S207 A208 D209 N215	S207-T211 WeakPolarHBondContact O-CB 3.44Å; S207-T211 PolarHBondContact O-N 3.22Å; S207-T211 PolarHBondContact O-OG1 3.18Å; A208-T211 PolarHBondContact O-N 3.49Å; D209-T211 PolarHBondContact O-N 3.38Å; T211-N215 VanDerWaalsContact O-CB 3.25Å; T211-N215 WeakPolarHBondContact O-CB 3.4Å; T211-N215 PolarHBondContact O-N 3.41Å; T211-N215 PolarHBondContact O-ND2 3.18Å; T211-N215 VanDerWaalsContact O-ND2 3.1Å
212	L	75.7	Confident	75.7	Confident	101 Å²	101	79.8 Å²	79.8	53%	0.529	42%	0.42	S	S	.	.	H	α-helix	trans	-66.2	-48.1	178	-72.7	169.6	0	0	0	112.1	A208 D209 E210 N216	A208-L212 WeakPolarHBondContact O-CB 3.45Å; A208-L212 VanDerWaalsContact O-CG 3.27Å; A208-L212 WeakPolarHBondContact O-CG 3.4Å; A208-L212 PolarHBondContact O-N 3.07Å; D209-L212 CarbonylContact O-C 3.54Å; D209-L212 WeakPolarHBondContact O-CB 3.38Å; D209-L212 PolarHBondContact O-N 3.18Å; D209-L212 VanDerWaalsContact O-N 3.12Å; E210-L212 VanDerWaalsContact C-N 3.31Å; E210-L212 PolarHBondContact O-N 3.24Å; L212-N216 WeakPolarHBondContact O-CB 3.39Å; L212-N216 PolarHBondContact O-N 2.93Å; L212-N216 PolarHBondContact O-ND2 2.96Å
213	W	74.7	Confident	76.9	Confident	72 Å²	72	74.3 Å²	74.3	27%	0.273	40%	0.4	S	S	.	.	H	α-helix	trans	-72	-42.7	-178.1	-73	107.7	0	0	0	112.3	D209 E210 N215 Q217 Y327 A334	D209-W213 PolarHBondContact O-N 3.41Å; D209-W213 PolarHBondContact OD1-NE1 2.96Å; D209-W213 PolarHBondContact OD2-NE1 2.98Å; E210-W213 PolarHBondContact O-N 3.15Å; W213-N215 PolarHBondContact O-N 3.05Å; W213-Q217 HydrophobicContact CE3-CB 4.39Å; W213-Q217 WeakPolarHBondContact O-CB 3.22Å; W213-Q217 PolarHBondContact O-N 2.93Å; W213-Y327 HydrophobicContact CB-CD2 4.37Å; W213-Y327 HydrophobicContact CB-CE2 4.37Å; W213-Y327 AromaticContact CD1-CE2 3.89Å; W213-Y327 HydrophobicContact CG-CE2 4.41Å; W213-A334 HydrophobicContact CE3-CB 4.04Å; W213-A334 HydrophobicContact CH2-CB 3.92Å; W213-A334 HydrophobicContact CZ3-CB 3.45Å; W213-A334 VanDerWaalsContact CZ3-CB 3.45Å
214	L	78	Confident	78	Confident	24 Å²	24	71.7 Å²	71.7	13%	0.126	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-32.9	178.6	-70.9	178.8	0	0	0	111.8	E210 L326	E210-L214 HydrophobicContact CG-CD1 3.6Å; E210-L214 HydrophobicContact CG-CG 4.18Å; E210-L214 WeakPolarHBondContact O-CB 3.46Å; E210-L214 WeakPolarHBondContact O-CG 3.45Å; E210-L214 PolarHBondContact O-N 3.31Å; L214-L326 HydrophobicContact CD2-CB 3.88Å
215	N	75.1	Confident	79.7	Confident	122 Å²	122	70.7 Å²	70.7	65%	0.652	38%	0.378	S	S	*	.	H	α-helix	trans	-88.7	-32.9	-178.5	-67.7	-17.8	0	0	0	113.9	T211 W213	T211-N215 VanDerWaalsContact O-CB 3.25Å; T211-N215 WeakPolarHBondContact O-CB 3.4Å; T211-N215 PolarHBondContact O-N 3.41Å; T211-N215 PolarHBondContact O-ND2 3.18Å; T211-N215 VanDerWaalsContact O-ND2 3.1Å; W213-N215 PolarHBondContact O-N 3.05Å
216	N	77.9	Confident	81.2	Confident	115 Å²	115	73 Å²	73	62%	0.615	38%	0.38	S	S	*	.	H	α-helix	trans	-102.2	-21.9	-172.6	-64.3	-36.7	0	0	0	114.1	L212 R218	L212-N216 WeakPolarHBondContact O-CB 3.39Å; L212-N216 PolarHBondContact O-N 2.93Å; L212-N216 PolarHBondContact O-ND2 2.96Å; N216-R218 PolarHBondContact O-N 3.26Å; N216-R218 VanDerWaalsContact O-N 3.08Å
217	Q	77.7	Confident	82.4	Confident	24 Å²	24	70.4 Å²	70.4	11%	0.112	37%	0.369	C	S	.	.			trans	-72.7	107.5	-178.1	-169.1	64	2.3	0	0	110.1	W213 D219 C330 L333 E337	W213-Q217 HydrophobicContact CE3-CB 4.39Å; W213-Q217 WeakPolarHBondContact O-CB 3.22Å; W213-Q217 PolarHBondContact O-N 2.93Å; Q217-D219 PolarHBondContact O-N 3.16Å; Q217-C330 HydrophobicContact CB-CB 4.49Å; Q217-C330 HydrophobicContact CG-CB 4.47Å; Q217-L333 HydrophobicContact CG-CD2 4.04Å; Q217-L333 HydrophobicContact CG-CG 4.49Å; Q217-E337 PolarHBondContact NE2-OE2 2.99Å
218	R	79.7	Confident	83.4	Confident	218 Å²	218	68.7 Å²	68.7	82%	0.823	35%	0.354	S	S	*	.			trans	-67.3	122.9	175	-70.6	-172	178.8	-178.8	-0.3	109	N216	N216-R218 PolarHBondContact O-N 3.26Å; N216-R218 VanDerWaalsContact O-N 3.08Å
219	D	84.7	Confident	84.6	Confident	16 Å²	16	70 Å²	70	9%	0.086	36%	0.359	C	S	.	.			trans	-118	121	-177.9	-158.2	-23.7	0	0	0	106.7	Q217 D221 C225 K228 R329 L333	Q217-D219 PolarHBondContact O-N 3.16Å; D219-D221 PolarHBondContact O-N 3Å; D219-D221 WeakPolarHBondContact OD1-CB 3.37Å; D219-D221 PolarHBondContact OD1-N 3.19Å; D219-C225 PolarHBondContact O-SG 3.31Å; D219-K228 IonicContact OD2-NZ 2.62Å; D219-K228 PolarHBondContact OD2-NZ 3.47Å; D219-R329 IonicContact OD1-CZ 2.92Å; D219-R329 IonicContact OD1-NH1 3.97Å; D219-R329 IonicContact OD1-NH2 2.66Å; D219-R329 PolarHBondContact OD1-NH2 3.47Å; D219-R329 IonicContact OD2-CZ 2.84Å; D219-R329 IonicContact OD2-NH1 3.62Å; D219-R329 PolarHBondContact OD2-NH1 3.33Å; D219-R329 IonicContact OD2-NH2 3.98Å; D219-L333 HydrophobicContact CB-CD2 4.42Å
220	N	85.4	Confident	85.5	Confident	163 Å²	163	71.4 Å²	71.4	87%	0.872	37%	0.369	S	S	*	.			trans	-80.6	-8.5	179	-64.9	-39.2	0	0	0	111.7	T222	N220-T222 PolarHBondContact O-N 3.22Å
221	D	92.2	Very high	86.3	Confident	66 Å²	66	70.8 Å²	70.8	35%	0.353	37%	0.366	S	S	.	.			trans	-80.7	115.1	176.8	-168.5	-55.9	0	0	0	110.6	D219 F223 F224 C225	D219-D221 PolarHBondContact O-N 3Å; D219-D221 WeakPolarHBondContact OD1-CB 3.37Å; D219-D221 PolarHBondContact OD1-N 3.19Å; D221-F223 VanDerWaalsContact C-N 3.31Å; D221-F223 PolarHBondContact O-N 3.09Å; D221-F223 WeakPolarHBondContact OD1-CB 3.3Å; D221-F223 PolarHBondContact OD1-N 3.27Å; D221-F224 HydrophobicContact CB-CD2 3.98Å; D221-F224 VanDerWaalsContact CG-CD2 3.49Å; D221-F224 PolarHBondContact O-N 3.44Å; D221-F224 PolarHBondContact OD1-N 3.11Å; D221-C225 PolarHBondContact O-N 3.25Å; D221-C225 VanDerWaalsContact O-N 3.08Å
222	T	93	Very high	87	Confident	94 Å²	94	70.2 Å²	70.2	58%	0.577	37%	0.368	S	S	*	.	H	α-helix	trans	-58.3	-41.6	-179.5	-50.9	0	0	0	0	112.3	N220 C225 E226	N220-T222 PolarHBondContact O-N 3.22Å; T222-C225 PolarHBondContact O-N 3.28Å; T222-E226 HydrophobicContact CG2-CG 4.47Å; T222-E226 WeakPolarHBondContact CG2-OE1 3.4Å; T222-E226 WeakPolarHBondContact O-CG 3.47Å; T222-E226 PolarHBondContact O-N 2.99Å
223	F	95.6	Very high	87.9	Confident	40 Å²	40	70.1 Å²	70.1	18%	0.175	37%	0.371	C	S	.	.	H	α-helix	trans	-62.7	-48.8	-177.8	169.4	-90.6	0	0	0	110.6	D221 C225 E226 E227 K375 L378	D221-F223 VanDerWaalsContact C-N 3.31Å; D221-F223 PolarHBondContact O-N 3.09Å; D221-F223 WeakPolarHBondContact OD1-CB 3.3Å; D221-F223 PolarHBondContact OD1-N 3.27Å; F223-C225 PolarHBondContact O-N 3.23Å; F223-E226 PolarHBondContact O-N 3.2Å; F223-E227 VanDerWaalsContact O-CB 3.25Å; F223-E227 WeakPolarHBondContact O-CB 3.15Å; F223-E227 PolarHBondContact O-N 3.14Å; F223-K375 HydrophobicContact CD1-CD 4.49Å; F223-K375 HydrophobicContact CD1-CG 4.24Å; F223-K375 HydrophobicContact CE1-CB 4.15Å; F223-K375 HydrophobicContact CE1-CD 4.5Å; F223-K375 HydrophobicContact CE1-CG 3.78Å; F223-K375 HydrophobicContact CE2-CG 4.24Å; F223-K375 HydrophobicContact CZ-CB 4.49Å; F223-K375 HydrophobicContact CZ-CG 3.78Å; F223-L378 HydrophobicContact CE1-CD1 4.27Å; F223-L378 HydrophobicContact CZ-CB 4.44Å
224	F	95	Very high	88.9	Confident	3 Å²	3	68.6 Å²	68.6	1%	0.013	37%	0.366	C	S	.	.	H	α-helix	trans	-71.6	-31.2	-178.1	-70.9	-78.4	0	0	0	113.1	D221 K228 L326 R329 S371 A374 K375 L378	D221-F224 HydrophobicContact CB-CD2 3.98Å; D221-F224 VanDerWaalsContact CG-CD2 3.49Å; D221-F224 PolarHBondContact O-N 3.44Å; D221-F224 PolarHBondContact OD1-N 3.11Å; F224-K228 WeakPolarHBondContact O-CB 3.32Å; F224-K228 WeakPolarHBondContact O-CD 3.38Å; F224-K228 WeakPolarHBondContact O-CG 3.42Å; F224-K228 PolarHBondContact O-N 2.65Å; F224-L326 HydrophobicContact CD1-CD2 3.84Å; F224-L326 HydrophobicContact CE1-CD2 4.41Å; F224-R329 VanDerWaalsContact CE2-CZ 3.48Å; F224-R329 VanDerWaalsContact CE2-NE 3.25Å; F224-R329 VanDerWaalsContact CZ-NE 3.31Å; F224-S371 WeakPolarHBondContact CZ-O 3.18Å; F224-A374 HydrophobicContact CE1-CB 3.93Å; F224-A374 HydrophobicContact CZ-CB 4.14Å; F224-K375 HydrophobicContact CZ-CB 4.29Å; F224-L378 HydrophobicContact CD1-CD1 4.42Å; F224-L378 HydrophobicContact CE1-CD1 4.02Å
225	C	91.6	Very high	89.7	Confident	55 Å²	55	68.2 Å²	68.2	37%	0.372	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-51.4	170.4	-81.5	0	0	0	0	112	D219 D221 T222 F223 E227 C229	D219-C225 PolarHBondContact O-SG 3.31Å; D221-C225 PolarHBondContact O-N 3.25Å; D221-C225 VanDerWaalsContact O-N 3.08Å; T222-C225 PolarHBondContact O-N 3.28Å; F223-C225 PolarHBondContact O-N 3.23Å; C225-E227 VanDerWaalsContact C-N 3.33Å; C225-E227 PolarHBondContact O-N 3.19Å; C225-C229 PolarHBondContact O-N 3.27Å
226	E	92.8	Very high	90.7	Very high	123 Å²	123	65.4 Å²	65.4	58%	0.575	35%	0.353	S	S	*	.	H	α-helix	trans	-63.7	-40.4	178.6	-71.3	175.8	-177.6	0	0	111.5	T222 F223 C229 T230	T222-E226 HydrophobicContact CG2-CG 4.47Å; T222-E226 WeakPolarHBondContact CG2-OE1 3.4Å; T222-E226 WeakPolarHBondContact O-CG 3.47Å; T222-E226 PolarHBondContact O-N 2.99Å; F223-E226 PolarHBondContact O-N 3.2Å; E226-C229 PolarHBondContact O-N 3.11Å; E226-T230 WeakPolarHBondContact O-CB 3.49Å; E226-T230 PolarHBondContact O-N 3.43Å; E226-T230 PolarHBondContact O-OG1 3.2Å
227	E	94.5	Very high	91.6	Very high	7 Å²	7	62.5 Å²	62.5	3%	0.033	35%	0.345	C	S	.	.	H	α-helix	trans	-69.7	-38.9	-178.2	-165.7	59.7	-162.5	0	0	112.5	F223 C225 C229 T230 L231 L378 K382	F223-E227 VanDerWaalsContact O-CB 3.25Å; F223-E227 WeakPolarHBondContact O-CB 3.15Å; F223-E227 PolarHBondContact O-N 3.14Å; C225-E227 VanDerWaalsContact C-N 3.33Å; C225-E227 PolarHBondContact O-N 3.19Å; E227-C229 VanDerWaalsContact C-N 3.33Å; E227-C229 PolarHBondContact O-N 3.4Å; E227-T230 PolarHBondContact O-N 2.8Å; E227-L231 HydrophobicContact CG-CD1 4.17Å; E227-L231 HydrophobicContact CG-CG 4.37Å; E227-L231 WeakPolarHBondContact O-CB 3.34Å; E227-L231 PolarHBondContact O-N 2.66Å; E227-L378 HydrophobicContact CG-CD1 4.06Å; E227-L378 HydrophobicContact CG-CD2 4.31Å; E227-K382 WeakPolarHBondContact OE1-CE 3.29Å; E227-K382 IonicContact OE1-NZ 2.75Å; E227-K382 WeakPolarHBondContact OE2-CE 3.46Å; E227-K382 IonicContact OE2-NZ 2.91Å; E227-K382 PolarHBondContact OE2-NZ 3.37Å
228	K	91.7	Very high	92.5	Very high	26 Å²	26	61.7 Å²	61.7	11%	0.113	34%	0.341	C	S	.	.	H	α-helix	trans	-56.2	-48.4	172	-79.3	165.7	178.6	172	0	111.4	D219 F224 A232 L326 C330	D219-K228 IonicContact OD2-NZ 2.62Å; D219-K228 PolarHBondContact OD2-NZ 3.47Å; F224-K228 WeakPolarHBondContact O-CB 3.32Å; F224-K228 WeakPolarHBondContact O-CD 3.38Å; F224-K228 WeakPolarHBondContact O-CG 3.42Å; F224-K228 PolarHBondContact O-N 2.65Å; K228-A232 VanDerWaalsContact O-CB 3.28Å; K228-A232 WeakPolarHBondContact O-CB 3.23Å; K228-A232 PolarHBondContact O-N 3.33Å; K228-L326 HydrophobicContact CB-CD1 4.42Å; K228-L326 HydrophobicContact CG-CD1 3.86Å; K228-L326 HydrophobicContact CG-CD2 4.47Å; K228-C330 WeakPolarHBondContact CE-SG 3.45Å; K228-C330 PolarHBondContact NZ-SG 3.09Å
229	C	91.4	Very high	93.3	Very high	83 Å²	83	56.2 Å²	56.2	56%	0.561	32%	0.323	S	S	*	.	H	α-helix	trans	-63	-48.5	178.8	-173.3	0	0	0	0	110.9	C225 E226 E227 L231 A232 V233	C225-C229 PolarHBondContact O-N 3.27Å; E226-C229 PolarHBondContact O-N 3.11Å; E227-C229 VanDerWaalsContact C-N 3.33Å; E227-C229 PolarHBondContact O-N 3.4Å; C229-L231 PolarHBondContact O-N 2.84Å; C229-A232 PolarHBondContact O-N 3.48Å; C229-V233 WeakPolarHBondContact O-CG2 3.22Å; C229-V233 PolarHBondContact O-N 2.89Å; C229-V233 VanDerWaalsContact O-N 3.07Å
230	T	93.9	Very high	93.9	Very high	68 Å²	68	60.3 Å²	60.3	42%	0.417	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-47.2	-179.4	-59.7	0	0	0	0	111.9	E226 E227 Y234	E226-T230 WeakPolarHBondContact O-CB 3.49Å; E226-T230 PolarHBondContact O-N 3.43Å; E226-T230 PolarHBondContact O-OG1 3.2Å; E227-T230 PolarHBondContact O-N 2.8Å; T230-Y234 VanDerWaalsContact O-CB 3.27Å; T230-Y234 WeakPolarHBondContact O-CB 3.28Å; T230-Y234 PolarHBondContact O-N 3.48Å
231	L	94.1	Very high	94.5	Very high	1 Å²	1	54 Å²	54	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-68.3	-35.8	178.5	-79.6	-179.9	0	0	0	112.5	E227 C229 Y234 H235 T319 A322 L326 L378 F381	E227-L231 HydrophobicContact CG-CD1 4.17Å; E227-L231 HydrophobicContact CG-CG 4.37Å; E227-L231 WeakPolarHBondContact O-CB 3.34Å; E227-L231 PolarHBondContact O-N 2.66Å; C229-L231 PolarHBondContact O-N 2.84Å; L231-Y234 HydrophobicContact CD2-CD1 4.46Å; L231-Y234 PolarHBondContact O-N 2.9Å; L231-H235 WeakPolarHBondContact O-CB 3.27Å; L231-H235 PolarHBondContact O-N 3.48Å; L231-T319 HydrophobicContact CD2-CG2 4.15Å; L231-A322 HydrophobicContact CD1-CB 4.01Å; L231-A322 HydrophobicContact CD2-CB 4.36Å; L231-L326 HydrophobicContact CB-CD1 4.39Å; L231-L326 HydrophobicContact CD1-CD1 3.57Å; L231-L326 HydrophobicContact CD1-CG 4.24Å; L231-L378 HydrophobicContact CD1-CD2 3.62Å; L231-F381 HydrophobicContact CD2-CD1 4.43Å; L231-F381 HydrophobicContact CD2-CE1 3.79Å
232	A	91.5	Very high	94.7	Very high	53 Å²	53	51.5 Å²	51.5	44%	0.438	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-47.6	176.1	0	0	0	0	0	111.7	K228 C229 H235 S236	K228-A232 VanDerWaalsContact O-CB 3.28Å; K228-A232 WeakPolarHBondContact O-CB 3.23Å; K228-A232 PolarHBondContact O-N 3.33Å; C229-A232 PolarHBondContact O-N 3.48Å; A232-H235 PolarHBondContact O-N 2.78Å; A232-S236 PolarHBondContact O-N 3.4Å; A232-S236 VanDerWaalsContact O-N 3.14Å
233	V	95.3	Very high	94.9	Very high	99 Å²	99	51.2 Å²	51.2	60%	0.6	30%	0.301	S	S	*	.	H	α-helix	trans	-62.9	-47.4	176.7	174.8	0	0	0	0	110.6	C229 H235 S236 A237	C229-V233 WeakPolarHBondContact O-CG2 3.22Å; C229-V233 PolarHBondContact O-N 2.89Å; C229-V233 VanDerWaalsContact O-N 3.07Å; V233-H235 PolarHBondContact O-N 2.84Å; V233-S236 PolarHBondContact O-N 2.96Å; V233-A237 WeakPolarHBondContact O-CB 3.29Å; V233-A237 PolarHBondContact O-N 3.3Å
234	Y	96.1	Very high	95	Very high	41 Å²	41	52.1 Å²	52.1	16%	0.161	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-43.1	179.3	177.4	-117.5	0	0	0	112.2	T230 L231 S236 A237 I238 T319 F381 R385 F389	T230-Y234 VanDerWaalsContact O-CB 3.27Å; T230-Y234 WeakPolarHBondContact O-CB 3.28Å; T230-Y234 PolarHBondContact O-N 3.48Å; L231-Y234 HydrophobicContact CD2-CD1 4.46Å; L231-Y234 PolarHBondContact O-N 2.9Å; Y234-S236 PolarHBondContact O-N 3.46Å; Y234-A237 PolarHBondContact O-N 3.44Å; Y234-I238 HydrophobicContact CE2-CB 4.29Å; Y234-I238 WeakPolarHBondContact O-CG2 3.36Å; Y234-I238 PolarHBondContact O-N 2.9Å; Y234-T319 HydrophobicContact CD1-CG2 3.64Å; Y234-T319 HydrophobicContact CE1-CG2 4.02Å; Y234-T319 WeakPolarHBondContact CE1-OG1 3.31Å; Y234-F381 HydrophobicContact CE1-CE1 4.48Å; Y234-F381 HydrophobicContact CE1-CZ 4.24Å; Y234-R385 VanDerWaalsContact CE1-CD 3.49Å; Y234-R385 VanDerWaalsContact OH-CD 3.22Å; Y234-R385 WeakPolarHBondContact OH-CD 3.5Å; Y234-F389 VanDerWaalsContact OH-CE2 3.23Å; Y234-F389 WeakPolarHBondContact OH-CE2 3.41Å
235	H	94.7	Very high	95	Very high	15 Å²	15	52.3 Å²	52.3	7%	0.069	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-40.5	179.2	-169.8	71.9	0	0	0	112.7	L231 A232 V233 I238 K239 A316 T319 R323	L231-H235 WeakPolarHBondContact O-CB 3.27Å; L231-H235 PolarHBondContact O-N 3.48Å; A232-H235 PolarHBondContact O-N 2.78Å; V233-H235 PolarHBondContact O-N 2.84Å; H235-I238 WeakPolarHBondContact O-CG2 3.12Å; H235-K239 WeakPolarHBondContact NE2-CE 3.19Å; H235-K239 PolarHBondContact NE2-NZ 3.01Å; H235-K239 WeakPolarHBondContact O-CB 3.47Å; H235-K239 WeakPolarHBondContact O-CG 3.47Å; H235-K239 PolarHBondContact O-N 3.12Å; H235-A316 PolarHBondContact CE1-O 3.32Å; H235-T319 HydrophobicContact CB-CG2 3.67Å; H235-T319 WeakPolarHBondContact ND1-CG2 3.47Å; H235-R323 PolarHBondContact CD2-NH1 2.75Å; H235-R323 PolarHBondContact NE2-NH1 3.12Å
236	S	95.6	Very high	95	Very high	64 Å²	64	52.3 Å²	52.3	45%	0.448	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-51.5	173.8	-165	0	0	0	0	110.4	A232 V233 Y234 I238 K239 D240	A232-S236 PolarHBondContact O-N 3.4Å; A232-S236 VanDerWaalsContact O-N 3.14Å; V233-S236 PolarHBondContact O-N 2.96Å; Y234-S236 PolarHBondContact O-N 3.46Å; S236-I238 VanDerWaalsContact C-N 3.33Å; S236-I238 PolarHBondContact O-N 3.41Å; S236-K239 PolarHBondContact O-N 2.95Å; S236-K239 VanDerWaalsContact O-N 3.17Å; S236-D240 VanDerWaalsContact O-CG 3.28Å; S236-D240 PolarHBondContact O-N 3.48Å
237	A	97.6	Very high	95.1	Very high	53 Å²	53	51.1 Å²	51.1	44%	0.438	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-42	-176.9	0	0	0	0	0	112.5	V233 Y234 D240 A241	V233-A237 WeakPolarHBondContact O-CB 3.29Å; V233-A237 PolarHBondContact O-N 3.3Å; Y234-A237 PolarHBondContact O-N 3.44Å; A237-D240 PolarHBondContact O-N 3.34Å; A237-A241 VanDerWaalsContact O-CB 3.24Å; A237-A241 WeakPolarHBondContact O-CB 3.36Å; A237-A241 PolarHBondContact O-N 3.36Å
238	I	97.1	Very high	95	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.036	33%	0.325	C	S	.	.	H	α-helix	trans	-71	-34	-179.9	-165.6	58.6	0	0	0	112.2	Y234 H235 S236 T242 F312 A316 F389	Y234-I238 HydrophobicContact CE2-CB 4.29Å; Y234-I238 WeakPolarHBondContact O-CG2 3.36Å; Y234-I238 PolarHBondContact O-N 2.9Å; H235-I238 WeakPolarHBondContact O-CG2 3.12Å; S236-I238 VanDerWaalsContact C-N 3.33Å; S236-I238 PolarHBondContact O-N 3.41Å; I238-T242 WeakPolarHBondContact O-CB 3.36Å; I238-T242 PolarHBondContact O-N 2.94Å; I238-T242 PolarHBondContact O-OG1 2.69Å; I238-F312 HydrophobicContact CD1-CB 4.11Å; I238-F312 HydrophobicContact CD1-CD1 3.61Å; I238-F312 HydrophobicContact CD1-CE1 4.28Å; I238-F312 HydrophobicContact CD1-CG 4.04Å; I238-A316 HydrophobicContact CG1-CB 4.43Å; I238-A316 HydrophobicContact CG2-CB 4.2Å; I238-F389 HydrophobicContact CD1-CE1 4.29Å; I238-F389 HydrophobicContact CD1-CZ 3.73Å
239	K	96.1	Very high	94.8	Very high	103 Å²	103	51.6 Å²	51.6	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-47.1	173.2	-81.7	-175.4	166.2	-170.9	0	111.3	H235 S236 A241 T242 V243 A316	H235-K239 WeakPolarHBondContact NE2-CE 3.19Å; H235-K239 PolarHBondContact NE2-NZ 3.01Å; H235-K239 WeakPolarHBondContact O-CB 3.47Å; H235-K239 WeakPolarHBondContact O-CG 3.47Å; H235-K239 PolarHBondContact O-N 3.12Å; S236-K239 PolarHBondContact O-N 2.95Å; S236-K239 VanDerWaalsContact O-N 3.17Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 3.11Å; K239-T242 WeakPolarHBondContact O-CB 3.38Å; K239-T242 PolarHBondContact O-N 3.46Å; K239-V243 WeakPolarHBondContact O-CG2 3.4Å; K239-V243 PolarHBondContact O-N 3.35Å; K239-A316 HydrophobicContact CG-CB 4.27Å
240	D	97.5	Very high	94.6	Very high	103 Å²	103	54.2 Å²	54.2	55%	0.551	32%	0.323	S	S	*	.	H	α-helix	trans	-63.1	-42.8	178.6	-63.4	-25.5	0	0	0	110.8	S236 A237 T242 V243 A244	S236-D240 VanDerWaalsContact O-CG 3.28Å; S236-D240 PolarHBondContact O-N 3.48Å; A237-D240 PolarHBondContact O-N 3.34Å; D240-T242 VanDerWaalsContact C-N 3.35Å; D240-T242 PolarHBondContact O-N 3.5Å; D240-V243 PolarHBondContact O-N 3.41Å; D240-A244 WeakPolarHBondContact O-CB 3.38Å; D240-A244 PolarHBondContact O-N 3.13Å
241	A	97.5	Very high	94.5	Very high	30 Å²	30	55 Å²	55	25%	0.248	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-39.6	174.6	0	0	0	0	0	112.5	A237 K239 A244 A245 F312	A237-A241 VanDerWaalsContact O-CB 3.24Å; A237-A241 WeakPolarHBondContact O-CB 3.36Å; A237-A241 PolarHBondContact O-N 3.36Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 3.11Å; A241-A244 PolarHBondContact O-N 3Å; A241-A245 WeakPolarHBondContact O-CB 3.3Å; A241-A245 PolarHBondContact O-N 2.88Å; A241-F312 HydrophobicContact CB-CD2 3.96Å; A241-F312 HydrophobicContact CB-CE2 3.8Å; A241-F312 HydrophobicContact CB-CG 4.46Å; A241-F312 HydrophobicContact CB-CZ 4.17Å; A241-F312 WeakPolarHBondContact O-CD2 3.19Å
242	T	96.7	Very high	94.3	Very high	13 Å²	13	58.1 Å²	58.1	8%	0.08	34%	0.342	C	S	.	.	H	α-helix	trans	-59.1	-49.2	175.2	-55.7	0	0	0	0	110.7	I238 K239 D240 A244 A245 D246 F312 R313	I238-T242 WeakPolarHBondContact O-CB 3.36Å; I238-T242 PolarHBondContact O-N 2.94Å; I238-T242 PolarHBondContact O-OG1 2.69Å; K239-T242 WeakPolarHBondContact O-CB 3.38Å; K239-T242 PolarHBondContact O-N 3.46Å; D240-T242 VanDerWaalsContact C-N 3.35Å; D240-T242 PolarHBondContact O-N 3.5Å; T242-A244 VanDerWaalsContact C-N 3.35Å; T242-A244 PolarHBondContact O-N 2.69Å; T242-A245 PolarHBondContact O-N 3.46Å; T242-D246 PolarHBondContact O-N 3.34Å; T242-F312 HydrophobicContact CG2-CB 4.37Å; T242-F312 WeakPolarHBondContact OG1-CB 3.32Å; T242-F312 PolarHBondContact OG1-O 3.16Å; T242-R313 HydrophobicContact CG2-CB 4.31Å; T242-R313 HydrophobicContact CG2-CG 3.46Å; T242-R313 VanDerWaalsContact CG2-CG 3.46Å
243	V	96.5	Very high	94	Very high	88 Å²	88	60.1 Å²	60.1	53%	0.533	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-44.6	178.5	173.6	0	0	0	0	111	K239 D240 A245 D246 L247	K239-V243 WeakPolarHBondContact O-CG2 3.4Å; K239-V243 PolarHBondContact O-N 3.35Å; D240-V243 PolarHBondContact O-N 3.41Å; V243-A245 PolarHBondContact O-N 2.92Å; V243-D246 PolarHBondContact O-N 2.96Å; V243-L247 HydrophobicContact CG1-CD1 4.04Å; V243-L247 HydrophobicContact CG1-CG 4.49Å; V243-L247 WeakPolarHBondContact O-CB 3.31Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.48Å; V243-L247 PolarHBondContact O-N 2.79Å
244	A	97.4	Very high	93.8	Very high	59 Å²	59	59 Å²	59	49%	0.488	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-42.2	178.3	0	0	0	0	0	112.3	D240 A241 T242 L247 A248	D240-A244 WeakPolarHBondContact O-CB 3.38Å; D240-A244 PolarHBondContact O-N 3.13Å; A241-A244 PolarHBondContact O-N 3Å; T242-A244 VanDerWaalsContact C-N 3.35Å; T242-A244 PolarHBondContact O-N 2.69Å; A244-L247 PolarHBondContact O-N 3.45Å; A244-A248 PolarHBondContact O-N 2.78Å
245	A	96	Very high	93.7	Very high	7 Å²	7	60.7 Å²	60.7	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-66.8	-41.9	177.8	0	0	0	0	0	112.3	A241 T242 V243 L247 A248 S249 L308 F312	A241-A245 WeakPolarHBondContact O-CB 3.3Å; A241-A245 PolarHBondContact O-N 2.88Å; T242-A245 PolarHBondContact O-N 3.46Å; V243-A245 PolarHBondContact O-N 2.92Å; A245-L247 VanDerWaalsContact C-N 3.33Å; A245-L247 PolarHBondContact O-N 2.68Å; A245-A248 PolarHBondContact O-N 3.49Å; A245-S249 PolarHBondContact O-N 3.2Å; A245-L308 HydrophobicContact CB-CD2 4.35Å; A245-L308 HydrophobicContact CB-CG 4.4Å; A245-F312 HydrophobicContact CB-CD2 3.63Å; A245-F312 HydrophobicContact CB-CE2 3.93Å
246	D	91.8	Very high	93.5	Very high	55 Å²	55	60.1 Å²	60.1	29%	0.294	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-39.8	175.4	-79.3	-23.2	0	0	0	111.6	T242 V243 S249 K250 R313	T242-D246 PolarHBondContact O-N 3.34Å; V243-D246 PolarHBondContact O-N 2.96Å; D246-S249 PolarHBondContact O-N 3.08Å; D246-K250 WeakPolarHBondContact O-CB 3.48Å; D246-K250 PolarHBondContact O-N 3.02Å; D246-R313 IonicContact OD1-CZ 3.38Å; D246-R313 IonicContact OD1-NH1 3.87Å; D246-R313 PolarHBondContact OD1-NH1 3.37Å; D246-R313 IonicContact OD1-NH2 3.09Å; D246-R313 IonicContact OD2-NH1 3.24Å
247	L	93.7	Very high	93.1	Very high	98 Å²	98	62 Å²	62	51%	0.513	35%	0.349	S	S	.	.	H	α-helix	trans	-64	-43.1	173.4	-73.3	172.4	0	0	0	112	V243 A244 A245 K250 C251	V243-L247 HydrophobicContact CG1-CD1 4.04Å; V243-L247 HydrophobicContact CG1-CG 4.49Å; V243-L247 WeakPolarHBondContact O-CB 3.31Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.48Å; V243-L247 PolarHBondContact O-N 2.79Å; A244-L247 PolarHBondContact O-N 3.45Å; A245-L247 VanDerWaalsContact C-N 3.33Å; A245-L247 PolarHBondContact O-N 2.68Å; L247-K250 PolarHBondContact O-N 3.42Å; L247-C251 WeakPolarHBondContact O-CB 3.32Å; L247-C251 PolarHBondContact O-N 3.48Å; L247-C251 PolarHBondContact O-SG 3.31Å
248	A	92.4	Very high	92.9	Very high	40 Å²	40	62.9 Å²	62.9	33%	0.331	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-46	176.4	0	0	0	0	0	111.7	A244 A245 K250 C251 R252	A244-A248 PolarHBondContact O-N 2.78Å; A245-A248 PolarHBondContact O-N 3.49Å; A248-K250 PolarHBondContact O-N 2.76Å; A248-C251 PolarHBondContact O-N 2.65Å; A248-R252 PolarHBondContact O-N 3.18Å
249	S	87.7	Confident	92.8	Very high	4 Å²	4	63.2 Å²	63.2	3%	0.028	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-45.6	174.3	-177.3	0	0	0	0	111.5	A245 D246 C251 R252 K253 S301	A245-S249 PolarHBondContact O-N 3.2Å; D246-S249 PolarHBondContact O-N 3.08Å; S249-C251 PolarHBondContact O-N 2.9Å; S249-R252 PolarHBondContact O-N 2.78Å; S249-K253 WeakPolarHBondContact O-CG 3.37Å; S249-K253 PolarHBondContact O-N 3.24Å; S249-S301 PolarHBondContact O-OG 2.87Å
250	K	87.6	Confident	92.5	Very high	138 Å²	138	60 Å²	60	60%	0.6	34%	0.339	S	S	*	.	H	α-helix	trans	-61.3	-42.3	176.3	-175.2	177.4	179	178.9	0	112.7	D246 L247 A248 K253 T254	D246-K250 WeakPolarHBondContact O-CB 3.48Å; D246-K250 PolarHBondContact O-N 3.02Å; L247-K250 PolarHBondContact O-N 3.42Å; A248-K250 PolarHBondContact O-N 2.76Å; K250-K253 PolarHBondContact O-N 2.85Å; K250-T254 WeakPolarHBondContact O-CB 3.39Å; K250-T254 PolarHBondContact O-N 3.34Å; K250-T254 PolarHBondContact O-OG1 3.09Å
251	C	92.2	Very high	92.2	Very high	85 Å²	85	61 Å²	61	57%	0.574	34%	0.34	S	S	*	.	H	α-helix	trans	-61.8	-41.9	176.4	-73.9	0	0	0	0	111.5	L247 A248 S249 T254 N255	L247-C251 WeakPolarHBondContact O-CB 3.32Å; L247-C251 PolarHBondContact O-N 3.48Å; L247-C251 PolarHBondContact O-SG 3.31Å; A248-C251 PolarHBondContact O-N 2.65Å; S249-C251 PolarHBondContact O-N 2.9Å; C251-T254 PolarHBondContact O-N 2.87Å; C251-N255 WeakPolarHBondContact O-CB 3.4Å; C251-N255 PolarHBondContact O-N 3.29Å
252	R	90.1	Very high	92	Very high	65 Å²	65	62.8 Å²	62.8	25%	0.245	34%	0.344	C	S	.	.	H	α-helix	trans	-66	-43.4	176.2	-68.8	-163.6	-169.5	90.5	-5.1	113	A248 S249 T254 N255 A256 L297 E304	A248-R252 PolarHBondContact O-N 3.18Å; S249-R252 PolarHBondContact O-N 2.78Å; R252-T254 VanDerWaalsContact C-N 3.28Å; R252-T254 PolarHBondContact O-N 3.11Å; R252-N255 PolarHBondContact O-N 3.46Å; R252-A256 WeakPolarHBondContact O-CB 3.36Å; R252-A256 PolarHBondContact O-N 3.32Å; R252-L297 HydrophobicContact CB-CD1 4.35Å; R252-L297 HydrophobicContact CG-CD1 4.31Å; R252-E304 IonicContact CZ-OE1 3.93Å; R252-E304 IonicContact CZ-OE2 2.78Å; R252-E304 IonicContact NE-OE1 3.05Å; R252-E304 PolarHBondContact NE-OE1 3.19Å; R252-E304 VanDerWaalsContact NE-OE1 3.1Å; R252-E304 IonicContact NE-OE2 3.99Å; R252-E304 IonicContact NH1-OE1 3.17Å; R252-E304 PolarHBondContact NH1-OE1 3.16Å; R252-E304 VanDerWaalsContact NH1-OE1 3.12Å; R252-E304 IonicContact NH1-OE2 3.94Å; R252-E304 PolarHBondContact NH1-OE2 3.12Å; R252-E304 IonicContact NH2-OE1 3.8Å; R252-E304 PolarHBondContact NH2-OE1 2.87Å; R252-E304 IonicContact NH2-OE2 2.74Å; R252-E304 PolarHBondContact NH2-OE2 2.95Å
253	K	85.2	Confident	91.8	Very high	95 Å²	95	62.8 Å²	62.8	41%	0.413	34%	0.344	S	S	.	.	H	α-helix	trans	-58.8	-42.4	174	-69.2	176.7	-174.2	179.2	0	111.2	S249 K250 A256 N257 D305	S249-K253 WeakPolarHBondContact O-CG 3.37Å; S249-K253 PolarHBondContact O-N 3.24Å; K250-K253 PolarHBondContact O-N 2.85Å; K253-A256 PolarHBondContact O-N 3.35Å; K253-N257 VanDerWaalsContact O-CG 3.31Å; K253-N257 PolarHBondContact O-N 3.15Å; K253-N257 PolarHBondContact O-ND2 3.17Å; K253-D305 IonicContact NZ-OD2 2.66Å
254	T	90.5	Very high	91.5	Very high	77 Å²	77	61.7 Å²	61.7	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-45.6	175.6	-54.9	0	0	0	0	111.3	K250 C251 R252 A256 N257 T258	K250-T254 WeakPolarHBondContact O-CB 3.39Å; K250-T254 PolarHBondContact O-N 3.34Å; K250-T254 PolarHBondContact O-OG1 3.09Å; C251-T254 PolarHBondContact O-N 2.87Å; R252-T254 VanDerWaalsContact C-N 3.28Å; R252-T254 PolarHBondContact O-N 3.11Å; T254-A256 PolarHBondContact O-N 3.47Å; T254-N257 WeakPolarHBondContact O-CB 3.26Å; T254-N257 PolarHBondContact O-N 3.21Å; T254-T258 PolarHBondContact O-N 3.17Å; T254-T258 PolarHBondContact O-OG1 2.85Å
255	N	93.6	Very high	91.2	Very high	76 Å²	76	61.6 Å²	61.6	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-43.3	176.4	-173.6	27.4	0	0	0	111.9	C251 R252 N257 T258 L259 L297	C251-N255 WeakPolarHBondContact O-CB 3.4Å; C251-N255 PolarHBondContact O-N 3.29Å; R252-N255 PolarHBondContact O-N 3.46Å; N255-N257 VanDerWaalsContact C-N 3.3Å; N255-N257 PolarHBondContact O-N 3.32Å; N255-T258 PolarHBondContact O-N 3Å; N255-L259 WeakPolarHBondContact O-CG 3.39Å; N255-L259 PolarHBondContact O-N 3.34Å; N255-L297 HydrophobicContact CB-CD2 3.94Å; N255-L297 WeakPolarHBondContact ND2-CD2 3.48Å
256	A	90.4	Very high	91.1	Very high	3 Å²	3	62.7 Å²	62.7	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-60	-39.3	174.8	0	0	0	0	0	112.4	R252 K253 T254 L259 L260 R294 L297 V298	R252-A256 WeakPolarHBondContact O-CB 3.36Å; R252-A256 PolarHBondContact O-N 3.32Å; K253-A256 PolarHBondContact O-N 3.35Å; T254-A256 PolarHBondContact O-N 3.47Å; A256-L259 PolarHBondContact O-N 2.97Å; A256-L260 PolarHBondContact O-N 2.89Å; A256-R294 HydrophobicContact CB-CG 4.19Å; A256-R294 VanDerWaalsContact O-CD 3.25Å; A256-R294 WeakPolarHBondContact O-CD 3.34Å; A256-R294 WeakPolarHBondContact O-CG 3.49Å; A256-L297 HydrophobicContact CB-CD2 4.04Å; A256-L297 HydrophobicContact CB-CG 4.39Å; A256-V298 HydrophobicContact CB-CG2 3.69Å
257	N	87.3	Confident	90.9	Very high	102 Å²	102	62.1 Å²	62.1	55%	0.545	34%	0.339	S	S	.	.	H	α-helix	trans	-66.7	-40.5	174.7	-70.9	-20.1	0	0	0	112	K253 T254 N255 L259 L260 Q261	K253-N257 VanDerWaalsContact O-CG 3.31Å; K253-N257 PolarHBondContact O-N 3.15Å; K253-N257 PolarHBondContact O-ND2 3.17Å; T254-N257 WeakPolarHBondContact O-CB 3.26Å; T254-N257 PolarHBondContact O-N 3.21Å; N255-N257 VanDerWaalsContact C-N 3.3Å; N255-N257 PolarHBondContact O-N 3.32Å; N257-L259 VanDerWaalsContact C-N 3.33Å; N257-L259 PolarHBondContact O-N 2.93Å; N257-L260 WeakPolarHBondContact O-CB 3.35Å; N257-L260 PolarHBondContact O-N 3.49Å; N257-Q261 WeakPolarHBondContact O-CG 3.17Å; N257-Q261 PolarHBondContact O-N 3.21Å; N257-Q261 VanDerWaalsContact O-N 3.13Å
258	T	94.1	Very high	90.6	Very high	73 Å²	73	64.1 Å²	64.1	45%	0.448	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-41.5	174.8	-55.5	0	0	0	0	111.4	T254 N255 L260 Q261 I262	T254-T258 PolarHBondContact O-N 3.17Å; T254-T258 PolarHBondContact O-OG1 2.85Å; N255-T258 PolarHBondContact O-N 3Å; T258-L260 VanDerWaalsContact C-N 3.3Å; T258-L260 PolarHBondContact O-N 2.6Å; T258-Q261 WeakPolarHBondContact O-CB 3.07Å; T258-Q261 PolarHBondContact O-N 2.91Å; T258-Q261 VanDerWaalsContact O-N 3.13Å; T258-I262 PolarHBondContact O-N 3.39Å; T258-I262 VanDerWaalsContact O-N 3.1Å
259	L	94.5	Very high	90.4	Very high	13 Å²	13	68 Å²	68	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-62.9	-35.8	175.1	-68.1	172.1	0	0	0	112.4	N255 A256 N257 Q261 I262 E263 F290 F293 R294 L297	N255-L259 WeakPolarHBondContact O-CG 3.39Å; N255-L259 PolarHBondContact O-N 3.34Å; A256-L259 PolarHBondContact O-N 2.97Å; N257-L259 VanDerWaalsContact C-N 3.33Å; N257-L259 PolarHBondContact O-N 2.93Å; L259-Q261 VanDerWaalsContact C-N 3.33Å; L259-I262 HydrophobicContact CD2-CD1 4.49Å; L259-I262 PolarHBondContact O-N 3.32Å; L259-E263 WeakPolarHBondContact O-CB 3.46Å; L259-E263 PolarHBondContact O-N 3.47Å; L259-F290 HydrophobicContact CD2-CD1 3.76Å; L259-F290 HydrophobicContact CD2-CE1 4.09Å; L259-F293 HydrophobicContact CD1-CD1 3.64Å; L259-F293 HydrophobicContact CD1-CE1 4.01Å; L259-R294 HydrophobicContact CB-CB 4.2Å; L259-R294 HydrophobicContact CB-CG 4.42Å; L259-L297 HydrophobicContact CD1-CD2 3.88Å
260	L	89.9	Confident	90.3	Very high	37 Å²	37	70.4 Å²	70.4	19%	0.194	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-41.8	172.5	179.5	61	0	0	0	111.4	A256 N257 T258 I262 E263 L264	A256-L260 PolarHBondContact O-N 2.89Å; N257-L260 WeakPolarHBondContact O-CB 3.35Å; N257-L260 PolarHBondContact O-N 3.49Å; T258-L260 VanDerWaalsContact C-N 3.3Å; T258-L260 PolarHBondContact O-N 2.6Å; L260-I262 VanDerWaalsContact C-N 3.31Å; L260-I262 PolarHBondContact O-N 2.85Å; L260-E263 WeakPolarHBondContact CD1-OE2 3.23Å; L260-E263 WeakPolarHBondContact O-CB 3.06Å; L260-E263 PolarHBondContact O-N 2.81Å; L260-L264 HydrophobicContact CD1-CD1 4.2Å; L260-L264 HydrophobicContact CD1-CG 4.16Å; L260-L264 HydrophobicContact CG-CD1 4.05Å; L260-L264 HydrophobicContact CG-CG 4.42Å; L260-L264 WeakPolarHBondContact O-CB 2.92Å; L260-L264 VanDerWaalsContact O-CG 3.29Å; L260-L264 WeakPolarHBondContact O-CG 3.3Å; L260-L264 PolarHBondContact O-N 2.62Å
261	Q	91.1	Very high	90	Very high	122 Å²	122	67.3 Å²	67.3	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-64.1	-38.6	177.5	-61.3	-55.1	-44.1	0	0	111.8	N257 T258 L259 A265	N257-Q261 WeakPolarHBondContact O-CG 3.17Å; N257-Q261 PolarHBondContact O-N 3.21Å; N257-Q261 VanDerWaalsContact O-N 3.13Å; T258-Q261 WeakPolarHBondContact O-CB 3.07Å; T258-Q261 PolarHBondContact O-N 2.91Å; T258-Q261 VanDerWaalsContact O-N 3.13Å; L259-Q261 VanDerWaalsContact C-N 3.33Å; Q261-A265 VanDerWaalsContact O-CB 3.3Å; Q261-A265 WeakPolarHBondContact O-CB 3.31Å; Q261-A265 PolarHBondContact O-N 3.02Å
262	I	94.2	Very high	89.2	Confident	68 Å²	68	72.9 Å²	72.9	35%	0.349	39%	0.385	S	S	.	.	H	α-helix	trans	-64.3	-47.7	174.2	-64.7	170	0	0	0	110.7	T258 L259 L260 L264 A265 L266 F290	T258-I262 PolarHBondContact O-N 3.39Å; T258-I262 VanDerWaalsContact O-N 3.1Å; L259-I262 HydrophobicContact CD2-CD1 4.49Å; L259-I262 PolarHBondContact O-N 3.32Å; L260-I262 VanDerWaalsContact C-N 3.31Å; L260-I262 PolarHBondContact O-N 2.85Å; I262-L264 VanDerWaalsContact C-N 3.35Å; I262-L264 PolarHBondContact O-N 2.95Å; I262-A265 PolarHBondContact O-N 3.44Å; I262-L266 HydrophobicContact CG2-CD1 3.83Å; I262-L266 HydrophobicContact CG2-CG 4.35Å; I262-L266 WeakPolarHBondContact O-CB 3.32Å; I262-L266 WeakPolarHBondContact O-CG 3.41Å; I262-L266 PolarHBondContact O-N 2.94Å; I262-F290 HydrophobicContact CG2-CD2 3.68Å; I262-F290 HydrophobicContact CG2-CE2 3.73Å; I262-F290 HydrophobicContact CG2-CG 4.15Å; I262-F290 HydrophobicContact CG2-CZ 4.22Å
263	E	92.5	Very high	88.5	Confident	13 Å²	13	77.9 Å²	77.9	6%	0.061	41%	0.411	C	S	.	.	H	α-helix	trans	-53.4	-50.1	176	176.7	-160	154.4	0	0	111.3	L259 L260 L266 S267 F290 E291 R294	L259-E263 WeakPolarHBondContact O-CB 3.46Å; L259-E263 PolarHBondContact O-N 3.47Å; L260-E263 WeakPolarHBondContact CD1-OE2 3.23Å; L260-E263 WeakPolarHBondContact O-CB 3.06Å; L260-E263 PolarHBondContact O-N 2.81Å; E263-L266 PolarHBondContact O-N 3.42Å; E263-S267 WeakPolarHBondContact O-CB 3.36Å; E263-S267 PolarHBondContact O-N 3.28Å; E263-S267 PolarHBondContact O-OG 3.44Å; E263-F290 HydrophobicContact CB-CB 4.41Å; E263-E291 HydrophobicContact CG-CB 4.02Å; E263-E291 WeakPolarHBondContact OE1-CG 3.21Å; E263-R294 IonicContact OE2-CZ 2.6Å; E263-R294 IonicContact OE2-NE 2.85Å; E263-R294 PolarHBondContact OE2-NE 3.15Å; E263-R294 IonicContact OE2-NH2 3.97Å
264	L	88.9	Confident	87.3	Confident	65 Å²	65	79.1 Å²	79.1	34%	0.34	43%	0.431	S	S	.	.	H	α-helix	trans	-65.9	-43.8	-179.6	-69.1	173.4	0	0	0	111.9	L260 I262 L266 S267 N268	L260-L264 HydrophobicContact CD1-CD1 4.2Å; L260-L264 HydrophobicContact CD1-CG 4.16Å; L260-L264 HydrophobicContact CG-CD1 4.05Å; L260-L264 HydrophobicContact CG-CG 4.42Å; L260-L264 WeakPolarHBondContact O-CB 2.92Å; L260-L264 VanDerWaalsContact O-CG 3.29Å; L260-L264 WeakPolarHBondContact O-CG 3.3Å; L260-L264 PolarHBondContact O-N 2.62Å; I262-L264 VanDerWaalsContact C-N 3.35Å; I262-L264 PolarHBondContact O-N 2.95Å; L264-L266 PolarHBondContact O-N 3.22Å; L264-S267 PolarHBondContact O-N 3.14Å; L264-N268 VanDerWaalsContact O-CG 3.27Å; L264-N268 PolarHBondContact O-N 2.5Å; L264-N268 PolarHBondContact O-ND2 3.28Å
265	A	92.2	Very high	86.1	Confident	58 Å²	58	81.8 Å²	81.8	48%	0.479	44%	0.442	S	S	.	.	H	α-helix	trans	-61	-43.6	177.4	0	0	0	0	0	111.9	Q261 I262 N268	Q261-A265 VanDerWaalsContact O-CB 3.3Å; Q261-A265 WeakPolarHBondContact O-CB 3.31Å; Q261-A265 PolarHBondContact O-N 3.02Å; I262-A265 PolarHBondContact O-N 3.44Å; A265-N268 PolarHBondContact O-N 2.81Å
266	L	92.4	Very high	85.2	Confident	30 Å²	30	84.8 Å²	84.8	16%	0.157	46%	0.456	C	S	.	.	H	α-helix	trans	-67.4	-41.4	176.4	-70.5	171.6	0	0	0	112	I262 E263 L264 N268 L269 T283 L286 F290	I262-L266 HydrophobicContact CG2-CD1 3.83Å; I262-L266 HydrophobicContact CG2-CG 4.35Å; I262-L266 WeakPolarHBondContact O-CB 3.32Å; I262-L266 WeakPolarHBondContact O-CG 3.41Å; I262-L266 PolarHBondContact O-N 2.94Å; E263-L266 PolarHBondContact O-N 3.42Å; L264-L266 PolarHBondContact O-N 3.22Å; L266-N268 PolarHBondContact O-N 3.47Å; L266-L269 WeakPolarHBondContact O-CB 3.4Å; L266-L269 PolarHBondContact O-N 2.92Å; L266-T283 HydrophobicContact CB-CG2 4.32Å; L266-T283 HydrophobicContact CD2-CG2 4.34Å; L266-T283 VanDerWaalsContact O-CG2 3.25Å; L266-T283 WeakPolarHBondContact O-CG2 3.45Å; L266-L286 HydrophobicContact CD1-CB 3.89Å; L266-F290 HydrophobicContact CD1-CD2 3.61Å; L266-F290 HydrophobicContact CD1-CE2 3.84Å
267	S	88.4	Confident	84.9	Confident	43 Å²	43	87.6 Å²	87.6	30%	0.301	47%	0.473	S	S	.	.	H	α-helix	trans	-62.2	-34.5	179.4	-59	0	0	0	0	112.1	E263 L264 L269 I270 S287	E263-S267 WeakPolarHBondContact O-CB 3.36Å; E263-S267 PolarHBondContact O-N 3.28Å; E263-S267 PolarHBondContact O-OG 3.44Å; L264-S267 PolarHBondContact O-N 3.14Å; S267-L269 PolarHBondContact O-N 3.04Å; S267-I270 WeakPolarHBondContact O-CB 3.48Å; S267-I270 PolarHBondContact O-N 2.87Å; S267-S287 PolarHBondContact OG-OG 2.97Å
268	N	88.1	Confident	84.9	Confident	140 Å²	140	84.4 Å²	84.4	75%	0.749	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.9	175.5	-71.5	-26.1	0	0	0	114	L264 A265 L266	L264-N268 VanDerWaalsContact O-CG 3.27Å; L264-N268 PolarHBondContact O-N 2.5Å; L264-N268 PolarHBondContact O-ND2 3.28Å; A265-N268 PolarHBondContact O-N 2.81Å; L266-N268 PolarHBondContact O-N 3.47Å
269	L	87.9	Confident	84.6	Confident	122 Å²	122	87.7 Å²	87.7	64%	0.639	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-13.5	174.8	-63.4	175.2	0	0	0	112.7	L266 S267 P271 T283	L266-L269 WeakPolarHBondContact O-CB 3.4Å; L266-L269 PolarHBondContact O-N 2.92Å; S267-L269 PolarHBondContact O-N 3.04Å; L269-P271 VanDerWaalsContact O-CD 3.27Å; L269-P271 WeakPolarHBondContact O-CD 3.2Å; L269-T283 HydrophobicContact CB-CG2 4Å
270	I	85.5	Confident	84.3	Confident	53 Å²	53	87.9 Å²	87.9	27%	0.272	47%	0.471	S	S	.	.	S	Bend	trans	-75.9	116.5	-179.3	-57.4	171.6	0	0	0	108.5	S267 K272 T283	S267-I270 WeakPolarHBondContact O-CB 3.48Å; S267-I270 PolarHBondContact O-N 2.87Å; I270-K272 PolarHBondContact O-N 3.24Å; I270-T283 HydrophobicContact CG1-CG2 3.83Å
271	P	81	Confident	84.3	Confident	73 Å²	73	89.6 Å²	89.6	47%	0.474	48%	0.481	S	S	.	.			trans	-59.4	135.8	178.8	-22	33.6	0	0	0	111.1	L269 E273 T280	L269-P271 VanDerWaalsContact O-CD 3.27Å; L269-P271 WeakPolarHBondContact O-CD 3.2Å; P271-E273 VanDerWaalsContact C-N 3.26Å; P271-E273 PolarHBondContact O-N 3.29Å; P271-T280 HydrophobicContact CG-CG2 3.63Å
272	K	76.3	Confident	84.4	Confident	203 Å²	203	86.2 Å²	86.2	88%	0.883	47%	0.466	S	S	*	.	S	Bend	trans	-72.3	-22.3	175.6	-65.1	-176.4	179.5	179.7	0	112.7	I270	I270-K272 PolarHBondContact O-N 3.24Å
273	E	73.8	Confident	84.3	Confident	169 Å²	169	83.8 Å²	83.8	79%	0.79	45%	0.454	S	S	*	.	S	Bend	trans	-113.5	128	-171.6	-71.2	149.2	-166.5	0	0	110.3	P271 N275	P271-E273 VanDerWaalsContact C-N 3.26Å; P271-E273 PolarHBondContact O-N 3.29Å; E273-N275 PolarHBondContact O-N 3.47Å
274	C	60.1	Low	84.3	Confident	122 Å²	122	85.2 Å²	85.2	82%	0.824	46%	0.464	S	S	*	.			trans	-72.2	73.4	-152	-65.8	0	0	0	0	117.9
275	N	66.5	Low	84.6	Confident	133 Å²	133	82.4 Å²	82.4	71%	0.711	45%	0.45	S	S	*	.			trans	-111.7	98.2	152.9	-78.5	-18.8	0	0	0	109.7	E273 T277	E273-N275 PolarHBondContact O-N 3.47Å; N275-T277 PolarHBondContact O-N 2.93Å
276	I	73.4	Confident	84.7	Confident	138 Å²	138	82.6 Å²	82.6	71%	0.708	44%	0.442	S	S	*	.			trans	-65.3	104.1	171.1	-58.1	174	0	0	0	107.3	T280 D281	I276-T280 WeakPolarHBondContact CA-OG1 3.2Å; I276-D281 VanDerWaalsContact CG2-OD1 3.26Å; I276-D281 WeakPolarHBondContact CG2-OD1 3.21Å
277	T	85.6	Confident	84.8	Confident	62 Å²	62	81.5 Å²	81.5	38%	0.38	44%	0.437	S	S	.	.			trans	-103.7	162.2	167.9	66.4	0	0	0	0	109.6	N275 E279 T280 D281	N275-T277 PolarHBondContact O-N 2.93Å; T277-E279 PolarHBondContact O-N 3.39Å; T277-T280 PolarHBondContact N-OG1 3.48Å; T277-T280 PolarHBondContact O-N 3.44Å; T277-T280 PolarHBondContact O-OG1 2.94Å; T277-T280 WeakPolarHBondContact OG1-CG2 3.38Å; T277-T280 PolarHBondContact OG1-N 2.91Å; T277-T280 PolarHBondContact OG1-OG1 3.27Å; T277-D281 PolarHBondContact O-N 3.02Å
278	S	86.6	Confident	85.1	Confident	35 Å²	35	82.5 Å²	82.5	25%	0.245	44%	0.439	C	S	.	.	H	α-helix	trans	-55.8	-32.9	172.1	53	0	0	0	0	112.7	L282 N422 P424	S278-L282 WeakPolarHBondContact O-CB 3.43Å; S278-L282 PolarHBondContact O-N 2.67Å; S278-N422 WeakPolarHBondContact CB-O 3.48Å; S278-P424 WeakPolarHBondContact OG-CD 3.31Å
279	E	88	Confident	85.5	Confident	143 Å²	143	77.8 Å²	77.8	67%	0.668	41%	0.412	S	S	*	.	H	α-helix	trans	-66.3	-43.9	174.2	-174.7	-179.7	172.8	0	0	111.9	T277 L282 T283	T277-E279 PolarHBondContact O-N 3.39Å; E279-L282 PolarHBondContact O-N 2.92Å; E279-T283 WeakPolarHBondContact O-CB 3.32Å; E279-T283 PolarHBondContact O-N 3.36Å; E279-T283 PolarHBondContact O-OG1 3.21Å
280	T	89	Confident	85.9	Confident	17 Å²	17	74.1 Å²	74.1	10%	0.104	39%	0.391	C	S	.	.	H	α-helix	trans	-66.7	-37.6	176.3	57.5	0	0	0	0	112.3	P271 I276 T277 T284	P271-T280 HydrophobicContact CG-CG2 3.63Å; I276-T280 WeakPolarHBondContact CA-OG1 3.2Å; T277-T280 PolarHBondContact N-OG1 3.48Å; T277-T280 PolarHBondContact O-N 3.44Å; T277-T280 PolarHBondContact O-OG1 2.94Å; T277-T280 WeakPolarHBondContact OG1-CG2 3.38Å; T277-T280 PolarHBondContact OG1-N 2.91Å; T277-T280 PolarHBondContact OG1-OG1 3.27Å; T280-T284 WeakPolarHBondContact O-CB 3.5Å; T280-T284 PolarHBondContact O-N 3.4Å; T280-T284 PolarHBondContact O-OG1 3.49Å
281	D	89.6	Confident	86.3	Confident	73 Å²	73	73.4 Å²	73.4	39%	0.39	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-43.3	175.7	-78.8	-22.8	0	0	0	111.3	I276 T277 L285 I421	I276-D281 VanDerWaalsContact CG2-OD1 3.26Å; I276-D281 WeakPolarHBondContact CG2-OD1 3.21Å; T277-D281 PolarHBondContact O-N 3.02Å; D281-L285 VanDerWaalsContact O-CB 3.3Å; D281-L285 WeakPolarHBondContact O-CB 3.39Å; D281-L285 PolarHBondContact O-N 2.88Å; D281-I421 HydrophobicContact CB-CD1 4.29Å; D281-I421 HydrophobicContact CB-CG1 4.47Å; D281-I421 HydrophobicContact CB-CG2 4.47Å
282	L	92.1	Very high	87	Confident	51 Å²	51	72 Å²	72	27%	0.267	38%	0.378	S	S	.	.	H	α-helix	trans	-63.5	-48.9	177.6	179.2	61.4	0	0	0	111.3	S278 E279 T284 L285 L286 L418 I421	S278-L282 WeakPolarHBondContact O-CB 3.43Å; S278-L282 PolarHBondContact O-N 2.67Å; E279-L282 PolarHBondContact O-N 2.92Å; L282-T284 VanDerWaalsContact C-N 3.33Å; L282-T284 PolarHBondContact O-N 3Å; L282-L285 PolarHBondContact O-N 2.94Å; L282-L286 HydrophobicContact CD1-CD1 4.25Å; L282-L286 HydrophobicContact CD1-CG 4.31Å; L282-L286 HydrophobicContact CG-CD1 4.21Å; L282-L286 WeakPolarHBondContact O-CG 3.49Å; L282-L286 PolarHBondContact O-N 2.85Å; L282-L418 HydrophobicContact CD1-CD1 3.38Å; L282-I421 HydrophobicContact CB-CD1 4.18Å; L282-I421 HydrophobicContact CD1-CD1 4.23Å
283	T	92.5	Very high	88	Confident	16 Å²	16	64.4 Å²	64.4	10%	0.098	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-42.7	179.9	-56.2	0	0	0	0	111	L266 L269 I270 E279 L286 S287	L266-T283 HydrophobicContact CB-CG2 4.32Å; L266-T283 HydrophobicContact CD2-CG2 4.34Å; L266-T283 VanDerWaalsContact O-CG2 3.25Å; L266-T283 WeakPolarHBondContact O-CG2 3.45Å; L269-T283 HydrophobicContact CB-CG2 4Å; I270-T283 HydrophobicContact CG1-CG2 3.83Å; E279-T283 WeakPolarHBondContact O-CB 3.32Å; E279-T283 PolarHBondContact O-N 3.36Å; E279-T283 PolarHBondContact O-OG1 3.21Å; T283-L286 PolarHBondContact O-N 3.27Å; T283-S287 WeakPolarHBondContact O-CB 3.32Å; T283-S287 PolarHBondContact O-N 3.3Å
284	T	92.3	Very high	88.9	Confident	43 Å²	43	57.1 Å²	57.1	26%	0.264	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-42.4	175.8	-59.2	0	0	0	0	111.6	T280 L282 N288	T280-T284 WeakPolarHBondContact O-CB 3.5Å; T280-T284 PolarHBondContact O-N 3.4Å; T280-T284 PolarHBondContact O-OG1 3.49Å; L282-T284 VanDerWaalsContact C-N 3.33Å; L282-T284 PolarHBondContact O-N 3Å; T284-N288 WeakPolarHBondContact CG2-ND2 3.35Å; T284-N288 WeakPolarHBondContact O-CB 3.21Å; T284-N288 VanDerWaalsContact O-CG 3.27Å; T284-N288 PolarHBondContact O-N 3.36Å; T284-N288 VanDerWaalsContact O-N 3.09Å; T284-N288 PolarHBondContact O-ND2 2.85Å
285	L	94.5	Very high	90.4	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-46.9	176.2	175.9	62.7	0	0	0	111.5	D281 L282 N288 F289 R417 L418 I421	D281-L285 VanDerWaalsContact O-CB 3.3Å; D281-L285 WeakPolarHBondContact O-CB 3.39Å; D281-L285 PolarHBondContact O-N 2.88Å; L282-L285 PolarHBondContact O-N 2.94Å; L285-N288 PolarHBondContact O-N 3Å; L285-F289 WeakPolarHBondContact O-CB 3.03Å; L285-F289 PolarHBondContact O-N 2.79Å; L285-R417 HydrophobicContact CD1-CB 3.79Å; L285-R417 HydrophobicContact CD2-CB 4.01Å; L285-L418 HydrophobicContact CD2-CB 3.84Å; L285-L418 HydrophobicContact CD2-CD1 4.05Å; L285-I421 HydrophobicContact CB-CD1 4.35Å; L285-I421 HydrophobicContact CD2-CD1 3.78Å
286	L	95	Very high	91.7	Very high	61 Å²	61	50.8 Å²	50.8	32%	0.319	26%	0.263	S	S	.	.	H	α-helix	trans	-64.9	-44.9	-179.9	-70	175.5	0	0	0	111.8	L266 L282 T283 N288 F289 F290	L266-L286 HydrophobicContact CD1-CB 3.89Å; L282-L286 HydrophobicContact CD1-CD1 4.25Å; L282-L286 HydrophobicContact CD1-CG 4.31Å; L282-L286 HydrophobicContact CG-CD1 4.21Å; L282-L286 WeakPolarHBondContact O-CG 3.49Å; L282-L286 PolarHBondContact O-N 2.85Å; T283-L286 PolarHBondContact O-N 3.27Å; L286-N288 PolarHBondContact O-N 2.85Å; L286-F289 WeakPolarHBondContact O-CB 3.33Å; L286-F289 PolarHBondContact O-N 3.01Å; L286-F290 HydrophobicContact CB-CE2 4.39Å; L286-F290 WeakPolarHBondContact O-CD2 3.19Å; L286-F290 PolarHBondContact O-N 2.85Å
287	S	94.5	Very high	92.7	Very high	8 Å²	8	44.8 Å²	44.8	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-57.1	-50.8	176.3	177.4	0	0	0	0	111.4	S267 T283 F289 F290 E291	S267-S287 PolarHBondContact OG-OG 2.97Å; T283-S287 WeakPolarHBondContact O-CB 3.32Å; T283-S287 PolarHBondContact O-N 3.3Å; S287-F289 VanDerWaalsContact C-N 3.31Å; S287-F289 PolarHBondContact O-N 2.83Å; S287-F290 PolarHBondContact O-N 3.49Å; S287-E291 PolarHBondContact O-N 2.73Å
288	N	94.3	Very high	92.9	Very high	63 Å²	63	44.7 Å²	44.7	34%	0.337	23%	0.232	S	C	.	.	H	α-helix	trans	-61.5	-37.4	178.1	-74.1	-47.3	0	0	0	113.2	T284 L285 L286 S292	T284-N288 WeakPolarHBondContact CG2-ND2 3.35Å; T284-N288 WeakPolarHBondContact O-CB 3.21Å; T284-N288 VanDerWaalsContact O-CG 3.27Å; T284-N288 PolarHBondContact O-N 3.36Å; T284-N288 VanDerWaalsContact O-N 3.09Å; T284-N288 PolarHBondContact O-ND2 2.85Å; L285-N288 PolarHBondContact O-N 3Å; L286-N288 PolarHBondContact O-N 2.85Å; N288-S292 WeakPolarHBondContact O-CB 3.41Å; N288-S292 PolarHBondContact O-N 3.02Å; N288-S292 VanDerWaalsContact O-N 3.07Å; N288-S292 PolarHBondContact O-OG 2.81Å
289	F	96.9	Very high	93.1	Very high	42 Å²	42	48 Å²	48	18%	0.184	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-49.7	175.2	169.2	-100.5	0	0	0	110.8	L285 L286 S287 S292 F293 L410 I411 S414	L285-F289 WeakPolarHBondContact O-CB 3.03Å; L285-F289 PolarHBondContact O-N 2.79Å; L286-F289 WeakPolarHBondContact O-CB 3.33Å; L286-F289 PolarHBondContact O-N 3.01Å; S287-F289 VanDerWaalsContact C-N 3.31Å; S287-F289 PolarHBondContact O-N 2.83Å; F289-S292 PolarHBondContact O-N 2.83Å; F289-F293 HydrophobicContact CE1-CB 4.49Å; F289-F293 HydrophobicContact CZ-CB 4.35Å; F289-F293 HydrophobicContact CZ-CD2 4.34Å; F289-F293 HydrophobicContact CZ-CG 4.35Å; F289-F293 VanDerWaalsContact O-CB 3.28Å; F289-F293 WeakPolarHBondContact O-CB 3.47Å; F289-F293 PolarHBondContact O-N 3.1Å; F289-L410 HydrophobicContact CD2-CD1 4.28Å; F289-L410 HydrophobicContact CD2-CD2 4.21Å; F289-L410 HydrophobicContact CD2-CG 3.95Å; F289-L410 HydrophobicContact CE2-CD2 4.15Å; F289-L410 HydrophobicContact CE2-CG 4Å; F289-I411 HydrophobicContact CE2-CG1 3.99Å; F289-I411 HydrophobicContact CZ-CG1 4.3Å; F289-S414 WeakPolarHBondContact CD2-OG 3.4Å
290	F	96.4	Very high	93.3	Very high	45 Å²	45	41.8 Å²	41.8	20%	0.197	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-38.3	-179.2	-72.9	-58.4	0	0	0	112.6	L259 I262 E263 L266 L286 S287 S292 F293 R294	L259-F290 HydrophobicContact CD2-CD1 3.76Å; L259-F290 HydrophobicContact CD2-CE1 4.09Å; I262-F290 HydrophobicContact CG2-CD2 3.68Å; I262-F290 HydrophobicContact CG2-CE2 3.73Å; I262-F290 HydrophobicContact CG2-CG 4.15Å; I262-F290 HydrophobicContact CG2-CZ 4.22Å; E263-F290 HydrophobicContact CB-CB 4.41Å; L266-F290 HydrophobicContact CD1-CD2 3.61Å; L266-F290 HydrophobicContact CD1-CE2 3.84Å; L286-F290 HydrophobicContact CB-CE2 4.39Å; L286-F290 WeakPolarHBondContact O-CD2 3.19Å; L286-F290 PolarHBondContact O-N 2.85Å; S287-F290 PolarHBondContact O-N 3.49Å; F290-S292 PolarHBondContact O-N 2.88Å; F290-F293 PolarHBondContact O-N 3Å; F290-R294 WeakPolarHBondContact O-CB 3.46Å; F290-R294 PolarHBondContact O-N 3.47Å
291	E	94.1	Very high	93.4	Very high	38 Å²	38	41 Å²	41	18%	0.178	21%	0.206	C	C	.	.	H	α-helix	trans	-59.2	-48.2	172.8	-172.5	-172.8	-175	0	0	110.9	K137 E263 S287 R294 K295	K137-E291 IonicContact NZ-OE1 3.53Å; K137-E291 PolarHBondContact NZ-OE1 2.77Å; E263-E291 HydrophobicContact CG-CB 4.02Å; E263-E291 WeakPolarHBondContact OE1-CG 3.21Å; S287-E291 PolarHBondContact O-N 2.73Å; E291-R294 PolarHBondContact O-N 3.47Å; E291-K295 WeakPolarHBondContact O-CG 3.46Å; E291-K295 PolarHBondContact O-N 3.32Å; E291-K295 VanDerWaalsContact O-N 3.08Å; E291-K295 VanDerWaalsContact OE1-CE 3.29Å; E291-K295 WeakPolarHBondContact OE1-CE 3.25Å; E291-K295 IonicContact OE1-NZ 3.97Å; E291-K295 PolarHBondContact OE1-NZ 3.19Å; E291-K295 IonicContact OE2-NZ 3.29Å
292	S	95.7	Very high	93.4	Very high	44 Å²	44	40.4 Å²	40.4	31%	0.308	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-42.8	-178.8	-60.8	0	0	0	0	111.9	N288 F289 F290 K295 I296	N288-S292 WeakPolarHBondContact O-CB 3.41Å; N288-S292 PolarHBondContact O-N 3.02Å; N288-S292 VanDerWaalsContact O-N 3.07Å; N288-S292 PolarHBondContact O-OG 2.81Å; F289-S292 PolarHBondContact O-N 2.83Å; F290-S292 PolarHBondContact O-N 2.88Å; S292-K295 PolarHBondContact O-N 3Å; S292-I296 WeakPolarHBondContact O-CG1 3.46Å; S292-I296 PolarHBondContact O-N 2.93Å
293	F	96.2	Very high	93.3	Very high	43 Å²	43	39.6 Å²	39.6	19%	0.189	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-41.3	179.5	-171.5	-106.6	0	0	0	111.1	L259 F289 F290 K295 I296 L297 Q407 L410	L259-F293 HydrophobicContact CD1-CD1 3.64Å; L259-F293 HydrophobicContact CD1-CE1 4.01Å; F289-F293 HydrophobicContact CE1-CB 4.49Å; F289-F293 HydrophobicContact CZ-CB 4.35Å; F289-F293 HydrophobicContact CZ-CD2 4.34Å; F289-F293 HydrophobicContact CZ-CG 4.35Å; F289-F293 VanDerWaalsContact O-CB 3.28Å; F289-F293 WeakPolarHBondContact O-CB 3.47Å; F289-F293 PolarHBondContact O-N 3.1Å; F290-F293 PolarHBondContact O-N 3Å; F293-K295 PolarHBondContact O-N 3.49Å; F293-I296 PolarHBondContact O-N 3.5Å; F293-L297 PolarHBondContact O-N 3.37Å; F293-Q407 HydrophobicContact CE2-CG 4.16Å; F293-L410 HydrophobicContact CB-CD2 3.87Å; F293-L410 HydrophobicContact CD2-CD2 4.28Å
294	R	94.2	Very high	93.3	Very high	16 Å²	16	39.5 Å²	39.5	6%	0.06	20%	0.201	C	C	.	.	H	α-helix	trans	-57.5	-47.3	173	-177.7	-176.7	68.6	82.1	-3.4	111.7	E141 A256 L259 E263 F290 E291 I296 L297 V298	E141-R294 IonicContact OE1-NH1 3.22Å; E141-R294 IonicContact OE1-NH2 3.73Å; A256-R294 HydrophobicContact CB-CG 4.19Å; A256-R294 VanDerWaalsContact O-CD 3.25Å; A256-R294 WeakPolarHBondContact O-CD 3.34Å; A256-R294 WeakPolarHBondContact O-CG 3.49Å; L259-R294 HydrophobicContact CB-CB 4.2Å; L259-R294 HydrophobicContact CB-CG 4.42Å; E263-R294 IonicContact OE2-CZ 2.6Å; E263-R294 IonicContact OE2-NE 2.85Å; E263-R294 PolarHBondContact OE2-NE 3.15Å; E263-R294 IonicContact OE2-NH2 3.97Å; F290-R294 WeakPolarHBondContact O-CB 3.46Å; F290-R294 PolarHBondContact O-N 3.47Å; E291-R294 PolarHBondContact O-N 3.47Å; R294-I296 VanDerWaalsContact C-N 3.29Å; R294-I296 PolarHBondContact O-N 3.42Å; R294-L297 PolarHBondContact O-N 3.25Å; R294-L297 VanDerWaalsContact O-N 3.12Å; R294-V298 HydrophobicContact CG-CG2 4.37Å; R294-V298 WeakPolarHBondContact O-CG2 3.35Å; R294-V298 PolarHBondContact O-N 3.35Å
295	K	92.2	Very high	93.2	Very high	105 Å²	105	38.9 Å²	38.9	46%	0.457	20%	0.196	S	C	.	.	H	α-helix	trans	-57.5	-41	177.5	-73	169.4	-175.8	164.9	0	111.9	E291 S292 F293 R299	E291-K295 WeakPolarHBondContact O-CG 3.46Å; E291-K295 PolarHBondContact O-N 3.32Å; E291-K295 VanDerWaalsContact O-N 3.08Å; E291-K295 VanDerWaalsContact OE1-CE 3.29Å; E291-K295 WeakPolarHBondContact OE1-CE 3.25Å; E291-K295 IonicContact OE1-NZ 3.97Å; E291-K295 PolarHBondContact OE1-NZ 3.19Å; E291-K295 IonicContact OE2-NZ 3.29Å; S292-K295 PolarHBondContact O-N 3Å; F293-K295 PolarHBondContact O-N 3.49Å; K295-R299 PolarHBondContact O-N 2.95Å
296	I	93.6	Very high	93	Very high	16 Å²	16	41.1 Å²	41.1	8%	0.082	21%	0.208	C	C	.	.	H	α-helix	trans	-65.4	-44.8	175.6	-61.8	166.8	0	0	0	110.8	S292 F293 R294 R299 L300 Q407 L410	S292-I296 WeakPolarHBondContact O-CG1 3.46Å; S292-I296 PolarHBondContact O-N 2.93Å; F293-I296 PolarHBondContact O-N 3.5Å; R294-I296 VanDerWaalsContact C-N 3.29Å; R294-I296 PolarHBondContact O-N 3.42Å; I296-R299 PolarHBondContact O-N 2.93Å; I296-L300 WeakPolarHBondContact O-CB 3.44Å; I296-L300 PolarHBondContact O-N 2.88Å; I296-Q407 HydrophobicContact CB-CG 4.45Å; I296-Q407 HydrophobicContact CD1-CG 4.31Å; I296-Q407 HydrophobicContact CG2-CG 3.57Å; I296-L410 HydrophobicContact CD1-CB 4.29Å; I296-L410 HydrophobicContact CD1-CD2 3.79Å
297	L	92.9	Very high	92.9	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-39.9	-179.4	-176.2	63.8	0	0	0	112.8	R252 N255 A256 L259 F293 R294 R299 L300 S301	R252-L297 HydrophobicContact CB-CD1 4.35Å; R252-L297 HydrophobicContact CG-CD1 4.31Å; N255-L297 HydrophobicContact CB-CD2 3.94Å; N255-L297 WeakPolarHBondContact ND2-CD2 3.48Å; A256-L297 HydrophobicContact CB-CD2 4.04Å; A256-L297 HydrophobicContact CB-CG 4.39Å; L259-L297 HydrophobicContact CD1-CD2 3.88Å; F293-L297 PolarHBondContact O-N 3.37Å; R294-L297 PolarHBondContact O-N 3.25Å; R294-L297 VanDerWaalsContact O-N 3.12Å; L297-R299 VanDerWaalsContact C-N 3.34Å; L297-L300 HydrophobicContact CD1-CD2 4.36Å; L297-L300 PolarHBondContact O-N 3.37Å; L297-S301 WeakPolarHBondContact O-CB 3.48Å; L297-S301 PolarHBondContact O-N 3.5Å
298	V	89.9	Confident	92.9	Very high	60 Å²	60	40.6 Å²	40.6	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-43.4	175.1	171.2	0	0	0	0	110.7	A256 R294 S301 S302	A256-V298 HydrophobicContact CB-CG2 3.69Å; R294-V298 HydrophobicContact CG-CG2 4.37Å; R294-V298 WeakPolarHBondContact O-CG2 3.35Å; R294-V298 PolarHBondContact O-N 3.35Å; V298-S301 PolarHBondContact O-N 2.96Å; V298-S302 WeakPolarHBondContact O-CB 3.39Å; V298-S302 PolarHBondContact O-N 3.07Å; V298-S302 PolarHBondContact O-OG 2.96Å
299	R	90.6	Very high	92.9	Very high	104 Å²	104	37.8 Å²	37.8	39%	0.392	19%	0.189	S	C	.	.	H	α-helix	trans	-65	-46.4	177.6	-170.5	175.5	60.9	-149.1	2.5	111.7	K295 I296 L297 S301 S302 D303 H403	K295-R299 PolarHBondContact O-N 2.95Å; I296-R299 PolarHBondContact O-N 2.93Å; L297-R299 VanDerWaalsContact C-N 3.34Å; R299-S301 VanDerWaalsContact C-N 3.35Å; R299-S301 PolarHBondContact O-N 2.83Å; R299-S302 PolarHBondContact O-N 3.23Å; R299-S302 VanDerWaalsContact O-N 3.14Å; R299-D303 PolarHBondContact O-N 2.99Å; R299-H403 PolarHBondContact NE-CE1 2.81Å; R299-H403 VanDerWaalsContact NE-CE1 3.26Å; R299-H403 PolarHBondContact NE-ND1 3.11Å
300	L	92	Very high	92.7	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.073	18%	0.181	C	C	.	.	H	α-helix	trans	-54	-52	173.7	173.7	63.3	0	0	0	110.9	I296 L297 S302 D303 E304 E400 H403	I296-L300 WeakPolarHBondContact O-CB 3.44Å; I296-L300 PolarHBondContact O-N 2.88Å; L297-L300 HydrophobicContact CD1-CD2 4.36Å; L297-L300 PolarHBondContact O-N 3.37Å; L300-S302 VanDerWaalsContact C-N 3.25Å; L300-S302 PolarHBondContact O-N 3.32Å; L300-D303 PolarHBondContact O-N 3.05Å; L300-E304 HydrophobicContact CD1-CG 4.16Å; L300-E304 VanDerWaalsContact CD1-OE1 3.22Å; L300-E304 WeakPolarHBondContact CD1-OE1 3.07Å; L300-E304 VanDerWaalsContact CG-OE1 3.27Å; L300-E304 WeakPolarHBondContact CG-OE1 3.43Å; L300-E304 WeakPolarHBondContact O-CB 3.5Å; L300-E304 WeakPolarHBondContact O-CG 3.39Å; L300-E304 PolarHBondContact O-N 3.1Å; L300-E400 WeakPolarHBondContact CD1-OE1 3.45Å; L300-E400 WeakPolarHBondContact CD1-OE2 3.42Å; L300-H403 HydrophobicContact CB-CB 4.46Å; L300-H403 HydrophobicContact CD1-CB 4.12Å; L300-H403 VanDerWaalsContact CD1-CD2 3.47Å; L300-H403 WeakPolarHBondContact CD1-CD2 3.3Å
301	S	91.4	Very high	92.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-59	-35.4	178.3	-172.4	0	0	0	0	113.5	S249 L297 V298 R299 D305	S249-S301 PolarHBondContact O-OG 2.87Å; L297-S301 WeakPolarHBondContact O-CB 3.48Å; L297-S301 PolarHBondContact O-N 3.5Å; V298-S301 PolarHBondContact O-N 2.96Å; R299-S301 VanDerWaalsContact C-N 3.35Å; R299-S301 PolarHBondContact O-N 2.83Å; S301-D305 WeakPolarHBondContact O-CB 3.48Å; S301-D305 PolarHBondContact O-N 3.31Å; S301-D305 VanDerWaalsContact O-N 3.09Å
302	S	89.2	Confident	92.7	Very high	60 Å²	60	33.6 Å²	33.6	42%	0.42	17%	0.171	S	C	.	.	H	α-helix	trans	-74.1	-42.8	-179.4	-56	0	0	0	0	111.4	V298 R299 L300 E304 D305 L306	V298-S302 WeakPolarHBondContact O-CB 3.39Å; V298-S302 PolarHBondContact O-N 3.07Å; V298-S302 PolarHBondContact O-OG 2.96Å; R299-S302 PolarHBondContact O-N 3.23Å; R299-S302 VanDerWaalsContact O-N 3.14Å; L300-S302 VanDerWaalsContact C-N 3.25Å; L300-S302 PolarHBondContact O-N 3.32Å; S302-E304 VanDerWaalsContact C-N 3.33Å; S302-D305 PolarHBondContact O-N 2.83Å; S302-L306 VanDerWaalsContact O-CB 3.31Å; S302-L306 WeakPolarHBondContact O-CB 3.38Å; S302-L306 PolarHBondContact O-N 3.45Å
303	D	91.3	Very high	92.6	Very high	34 Å²	34	34.7 Å²	34.7	18%	0.182	17%	0.168	C	C	.	.	H	α-helix	trans	-66	-37.3	178	-76.8	-19.3	0	0	0	111.6	R299 L300 L306 K307 L399 H403	R299-D303 PolarHBondContact O-N 2.99Å; L300-D303 PolarHBondContact O-N 3.05Å; D303-L306 PolarHBondContact O-N 3.01Å; D303-K307 WeakPolarHBondContact O-CB 3.43Å; D303-K307 WeakPolarHBondContact O-CG 3.41Å; D303-K307 PolarHBondContact O-N 2.86Å; D303-L399 HydrophobicContact CB-CB 4.5Å; D303-L399 HydrophobicContact CB-CD1 3.96Å; D303-H403 IonicContact OD2-CE1 3.82Å; D303-H403 PolarHBondContact OD2-CE1 2.82Å; D303-H403 IonicContact OD2-NE2 2.81Å; D303-H403 PolarHBondContact OD2-NE2 3.04Å
304	E	92.4	Very high	92.4	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-43	173.8	-74.2	-170.5	-119.9	0	0	113.2	R252 L300 S302 L306 K307 L308 S309 L396 E400	R252-E304 IonicContact CZ-OE1 3.93Å; R252-E304 IonicContact CZ-OE2 2.78Å; R252-E304 IonicContact NE-OE1 3.05Å; R252-E304 PolarHBondContact NE-OE1 3.19Å; R252-E304 VanDerWaalsContact NE-OE1 3.1Å; R252-E304 IonicContact NE-OE2 3.99Å; R252-E304 IonicContact NH1-OE1 3.17Å; R252-E304 PolarHBondContact NH1-OE1 3.16Å; R252-E304 VanDerWaalsContact NH1-OE1 3.12Å; R252-E304 IonicContact NH1-OE2 3.94Å; R252-E304 PolarHBondContact NH1-OE2 3.12Å; R252-E304 IonicContact NH2-OE1 3.8Å; R252-E304 PolarHBondContact NH2-OE1 2.87Å; R252-E304 IonicContact NH2-OE2 2.74Å; R252-E304 PolarHBondContact NH2-OE2 2.95Å; L300-E304 HydrophobicContact CD1-CG 4.16Å; L300-E304 VanDerWaalsContact CD1-OE1 3.22Å; L300-E304 WeakPolarHBondContact CD1-OE1 3.07Å; L300-E304 VanDerWaalsContact CG-OE1 3.27Å; L300-E304 WeakPolarHBondContact CG-OE1 3.43Å; L300-E304 WeakPolarHBondContact O-CB 3.5Å; L300-E304 WeakPolarHBondContact O-CG 3.39Å; L300-E304 PolarHBondContact O-N 3.1Å; S302-E304 VanDerWaalsContact C-N 3.33Å; E304-L306 PolarHBondContact O-N 3.46Å; E304-K307 PolarHBondContact O-N 3.44Å; E304-L308 WeakPolarHBondContact O-CA 2.79Å; E304-L308 WeakPolarHBondContact O-CB 3.48Å; E304-L308 PolarHBondContact O-N 3.04Å; E304-S309 PolarHBondContact O-N 3.33Å; E304-L396 HydrophobicContact CG-CD1 3.85Å; E304-E400 WeakPolarHBondContact CG-OE1 3.4Å
305	D	90.8	Very high	92.4	Very high	30 Å²	30	32.5 Å²	32.5	16%	0.16	16%	0.158	C	C	.	.	I	π-helix	trans	-59.4	-41.7	174.5	-168.5	38.8	0	0	0	110.4	K253 S301 S302 S309 D310 R313	K253-D305 IonicContact NZ-OD2 2.66Å; S301-D305 WeakPolarHBondContact O-CB 3.48Å; S301-D305 PolarHBondContact O-N 3.31Å; S301-D305 VanDerWaalsContact O-N 3.09Å; S302-D305 PolarHBondContact O-N 2.83Å; D305-S309 WeakPolarHBondContact O-CB 3.4Å; D305-S309 PolarHBondContact O-N 3.5Å; D305-S309 WeakPolarHBondContact OD1-CB 3.42Å; D305-D310 PolarHBondContact O-N 3.41Å; D305-R313 IonicContact OD1-CZ 3.72Å; D305-R313 IonicContact OD1-NH1 2.88Å; D305-R313 IonicContact OD1-NH2 3.91Å; D305-R313 PolarHBondContact OD1-NH2 3.38Å; D305-R313 IonicContact OD2-NH2 3.58Å
306	L	89.9	Confident	92.5	Very high	54 Å²	54	28.1 Å²	28.1	28%	0.283	14%	0.141	S	C	.	.	I	π-helix	trans	-67.2	-48.4	178	-176.5	66.6	0	0	0	112.2	S23 S302 D303 E304 D310	S23-L306 WeakPolarHBondContact CB-O 3.23Å; S23-L306 VanDerWaalsContact OG-CD1 3.23Å; S23-L306 WeakPolarHBondContact OG-CD1 3.31Å; S23-L306 PolarHBondContact OG-O 3.36Å; S302-L306 VanDerWaalsContact O-CB 3.31Å; S302-L306 WeakPolarHBondContact O-CB 3.38Å; S302-L306 PolarHBondContact O-N 3.45Å; D303-L306 PolarHBondContact O-N 3.01Å; E304-L306 PolarHBondContact O-N 3.46Å; L306-D310 WeakPolarHBondContact O-CB 3.46Å
307	K	92.7	Very high	92.5	Very high	23 Å²	23	31.4 Å²	31.4	10%	0.1	16%	0.159	C	C	.	.	I	π-helix	trans	-91.4	-28.1	-171.8	-63.9	-63.8	-179.9	169.1	0	114.3	D303 E304 T311 D395 L396 L399	D303-K307 WeakPolarHBondContact O-CB 3.43Å; D303-K307 WeakPolarHBondContact O-CG 3.41Å; D303-K307 PolarHBondContact O-N 2.86Å; E304-K307 PolarHBondContact O-N 3.44Å; K307-T311 WeakPolarHBondContact O-CB 3.35Å; K307-T311 PolarHBondContact O-OG1 2.84Å; K307-D395 HydrophobicContact CD-CB 3.95Å; K307-D395 HydrophobicContact CG-CB 4.46Å; K307-D395 IonicContact NZ-OD2 3.49Å; K307-D395 PolarHBondContact NZ-OD2 3.26Å; K307-L396 HydrophobicContact CB-CB 3.94Å; K307-L396 HydrophobicContact CB-CD1 4.29Å; K307-L399 HydrophobicContact CG-CD1 3.96Å
308	L	94.7	Very high	92.6	Very high	36 Å²	36	30.9 Å²	30.9	19%	0.188	16%	0.156	C	C	.	.	I	π-helix	trans	-104.3	-62.7	-178.4	-166.9	64.9	0	0	0	111.8	A245 E304 D310 T311 F312 L393 L396	A245-L308 HydrophobicContact CB-CD2 4.35Å; A245-L308 HydrophobicContact CB-CG 4.4Å; E304-L308 WeakPolarHBondContact O-CA 2.79Å; E304-L308 WeakPolarHBondContact O-CB 3.48Å; E304-L308 PolarHBondContact O-N 3.04Å; L308-D310 PolarHBondContact O-N 2.69Å; L308-T311 WeakPolarHBondContact O-CB 3.45Å; L308-T311 PolarHBondContact O-N 3.15Å; L308-F312 HydrophobicContact CD1-CD2 4.47Å; L308-F312 HydrophobicContact CD1-CE1 3.84Å; L308-F312 HydrophobicContact CD1-CE2 3.73Å; L308-F312 HydrophobicContact CD1-CZ 3.38Å; L308-F312 HydrophobicContact CD2-CE2 4.29Å; L308-F312 HydrophobicContact CG-CD2 4.23Å; L308-F312 HydrophobicContact CG-CE2 3.74Å; L308-F312 HydrophobicContact CG-CZ 3.95Å; L308-F312 WeakPolarHBondContact O-CG 3.41Å; L308-F312 PolarHBondContact O-N 3.37Å; L308-L393 HydrophobicContact CD1-CD2 3.97Å; L308-L396 HydrophobicContact CB-CD2 3.99Å; L308-L396 HydrophobicContact CD1-CD2 3.99Å; L308-L396 HydrophobicContact CD2-CD2 4.38Å; L308-L396 HydrophobicContact CG-CD2 4.35Å
309	S	94.3	Very high	92.8	Very high	3 Å²	3	28 Å²	28	2%	0.021	14%	0.138	C	C	.	.	I	π-helix	trans	-63.8	-41.3	-172.7	-54.9	0	0	0	0	112.1	E304 D305 F312 R313	E304-S309 PolarHBondContact O-N 3.33Å; D305-S309 WeakPolarHBondContact O-CB 3.4Å; D305-S309 PolarHBondContact O-N 3.5Å; D305-S309 WeakPolarHBondContact OD1-CB 3.42Å; S309-F312 PolarHBondContact O-N 2.93Å; S309-R313 WeakPolarHBondContact O-CB 3.22Å; S309-R313 WeakPolarHBondContact O-CG 3.27Å; S309-R313 PolarHBondContact O-N 3.06Å
310	D	91.8	Very high	92.9	Very high	2 Å²	2	24 Å²	24	1%	0.011	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-39.8	176.4	-75.8	-13.1	0	0	0	113.1	F24 K152 D305 L306 L308 F312 R313 Y314	F24-D310 HydrophobicContact CE1-CB 4.14Å; F24-D310 HydrophobicContact CZ-CB 4.13Å; K152-D310 WeakPolarHBondContact CE-OD1 3.1Å; K152-D310 WeakPolarHBondContact CE-OD2 3.43Å; K152-D310 IonicContact NZ-OD1 2.68Å; K152-D310 PolarHBondContact NZ-OD1 2.97Å; K152-D310 IonicContact NZ-OD2 3.15Å; K152-D310 PolarHBondContact NZ-OD2 3.45Å; D305-D310 PolarHBondContact O-N 3.41Å; L306-D310 WeakPolarHBondContact O-CB 3.46Å; L308-D310 PolarHBondContact O-N 2.69Å; D310-F312 VanDerWaalsContact C-N 3.31Å; D310-F312 PolarHBondContact O-N 2.63Å; D310-R313 PolarHBondContact O-N 3.44Å; D310-R313 IonicContact OD1-CZ 3.28Å; D310-R313 VanDerWaalsContact OD1-CZ 3.29Å; D310-R313 IonicContact OD1-NE 2.97Å; D310-R313 PolarHBondContact OD1-NE 2.99Å; D310-R313 IonicContact OD1-NH2 3.83Å; D310-R313 PolarHBondContact OD1-NH2 3.42Å; D310-Y314 VanDerWaalsContact O-CB 3.3Å; D310-Y314 WeakPolarHBondContact O-CB 3.5Å; D310-Y314 PolarHBondContact O-N 2.86Å
311	T	93.9	Very high	93	Very high	2 Å²	2	24 Å²	24	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-46.9	173.5	-61.7	0	0	0	0	110.1	K307 L308 Y315 Y388 F389 N392	K307-T311 WeakPolarHBondContact O-CB 3.35Å; K307-T311 PolarHBondContact O-OG1 2.84Å; L308-T311 WeakPolarHBondContact O-CB 3.45Å; L308-T311 PolarHBondContact O-N 3.15Å; T311-Y315 WeakPolarHBondContact O-CD2 3.36Å; T311-Y315 PolarHBondContact O-N 3.47Å; T311-Y315 VanDerWaalsContact O-N 3.11Å; T311-Y388 HydrophobicContact CG2-CD1 3.92Å; T311-Y388 HydrophobicContact CG2-CE1 3.63Å; T311-F389 HydrophobicContact CG2-CD1 3.65Å; T311-F389 HydrophobicContact CG2-CE1 3.48Å; T311-F389 VanDerWaalsContact CG2-CE1 3.48Å; T311-F389 HydrophobicContact CG2-CG 4.27Å; T311-F389 HydrophobicContact CG2-CZ 3.96Å; T311-N392 HydrophobicContact CG2-CB 4.47Å; T311-N392 WeakPolarHBondContact OG1-CB 3.45Å; T311-N392 PolarHBondContact OG1-ND2 3.33Å
312	F	96.4	Very high	93.2	Very high	34 Å²	34	24 Å²	24	15%	0.149	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-48.3	178.7	-68.3	-12.6	0	0	0	112.3	I238 A241 T242 A245 L308 S309 D310 Y314 Y315 A316 F389	I238-F312 HydrophobicContact CD1-CB 4.11Å; I238-F312 HydrophobicContact CD1-CD1 3.61Å; I238-F312 HydrophobicContact CD1-CE1 4.28Å; I238-F312 HydrophobicContact CD1-CG 4.04Å; A241-F312 HydrophobicContact CB-CD2 3.96Å; A241-F312 HydrophobicContact CB-CE2 3.8Å; A241-F312 HydrophobicContact CB-CG 4.46Å; A241-F312 HydrophobicContact CB-CZ 4.17Å; A241-F312 WeakPolarHBondContact O-CD2 3.19Å; T242-F312 HydrophobicContact CG2-CB 4.37Å; T242-F312 WeakPolarHBondContact OG1-CB 3.32Å; T242-F312 PolarHBondContact OG1-O 3.16Å; A245-F312 HydrophobicContact CB-CD2 3.63Å; A245-F312 HydrophobicContact CB-CE2 3.93Å; L308-F312 HydrophobicContact CD1-CD2 4.47Å; L308-F312 HydrophobicContact CD1-CE1 3.84Å; L308-F312 HydrophobicContact CD1-CE2 3.73Å; L308-F312 HydrophobicContact CD1-CZ 3.38Å; L308-F312 HydrophobicContact CD2-CE2 4.29Å; L308-F312 HydrophobicContact CG-CD2 4.23Å; L308-F312 HydrophobicContact CG-CE2 3.74Å; L308-F312 HydrophobicContact CG-CZ 3.95Å; L308-F312 WeakPolarHBondContact O-CG 3.41Å; L308-F312 PolarHBondContact O-N 3.37Å; S309-F312 PolarHBondContact O-N 2.93Å; D310-F312 VanDerWaalsContact C-N 3.31Å; D310-F312 PolarHBondContact O-N 2.63Å; F312-Y314 VanDerWaalsContact C-N 3.35Å; F312-Y314 PolarHBondContact O-N 2.96Å; F312-Y315 PolarHBondContact O-N 3.38Å; F312-A316 WeakPolarHBondContact O-CB 3.24Å; F312-A316 PolarHBondContact O-N 2.83Å; F312-F389 AromaticContact CD1-CE1 3.68Å; F312-F389 HydrophobicContact CD1-CE1 3.68Å; F312-F389 HydrophobicContact CD1-CZ 4.24Å; F312-F389 AromaticContact CE1-CE1 3.7Å; F312-F389 HydrophobicContact CE1-CE1 3.7Å
313	R	93.5	Very high	93.4	Very high	67 Å²	67	23.3 Å²	23.3	25%	0.253	12%	0.119	S	C	.	.	H	α-helix	trans	-55.9	-48.6	176.2	-81.5	-173.8	-77.2	-118.3	-5.4	111.9	T242 D246 D305 S309 D310 Y315 A316 I317	T242-R313 HydrophobicContact CG2-CB 4.31Å; T242-R313 HydrophobicContact CG2-CG 3.46Å; T242-R313 VanDerWaalsContact CG2-CG 3.46Å; D246-R313 IonicContact OD1-CZ 3.38Å; D246-R313 IonicContact OD1-NH1 3.87Å; D246-R313 PolarHBondContact OD1-NH1 3.37Å; D246-R313 IonicContact OD1-NH2 3.09Å; D246-R313 IonicContact OD2-NH1 3.24Å; D305-R313 IonicContact OD1-CZ 3.72Å; D305-R313 IonicContact OD1-NH1 2.88Å; D305-R313 IonicContact OD1-NH2 3.91Å; D305-R313 PolarHBondContact OD1-NH2 3.38Å; D305-R313 IonicContact OD2-NH2 3.58Å; S309-R313 WeakPolarHBondContact O-CB 3.22Å; S309-R313 WeakPolarHBondContact O-CG 3.27Å; S309-R313 PolarHBondContact O-N 3.06Å; D310-R313 PolarHBondContact O-N 3.44Å; D310-R313 IonicContact OD1-CZ 3.28Å; D310-R313 VanDerWaalsContact OD1-CZ 3.29Å; D310-R313 IonicContact OD1-NE 2.97Å; D310-R313 PolarHBondContact OD1-NE 2.99Å; D310-R313 IonicContact OD1-NH2 3.83Å; D310-R313 PolarHBondContact OD1-NH2 3.42Å; R313-Y315 PolarHBondContact O-N 2.85Å; R313-A316 PolarHBondContact O-N 3.14Å; R313-I317 WeakPolarHBondContact O-CG1 3.46Å; R313-I317 PolarHBondContact O-N 2.88Å
314	Y	93.2	Very high	93.4	Very high	12 Å²	12	23.6 Å²	23.6	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-50.2	179.9	176.4	-88	0	0	0	110.7	F24 P25 V159 R163 D310 F312 A316 I317 D318	F24-Y314 HydrophobicContact CD1-CD2 4.25Å; P25-Y314 HydrophobicContact CG-CD1 4.09Å; P25-Y314 HydrophobicContact CG-CE1 3.59Å; P25-Y314 HydrophobicContact CG-CE2 4.25Å; V159-Y314 HydrophobicContact CG1-CE2 3.85Å; R163-Y314 WeakPolarHBondContact CD-OH 3.43Å; R163-Y314 PolarHBondContact NH1-OH 3.39Å; D310-Y314 VanDerWaalsContact O-CB 3.3Å; D310-Y314 WeakPolarHBondContact O-CB 3.5Å; D310-Y314 PolarHBondContact O-N 2.86Å; F312-Y314 VanDerWaalsContact C-N 3.35Å; F312-Y314 PolarHBondContact O-N 2.96Å; Y314-A316 PolarHBondContact O-N 3.21Å; Y314-I317 PolarHBondContact O-N 3.19Å; Y314-D318 HydrophobicContact CD1-CB 4.48Å; Y314-D318 HydrophobicContact CE1-CB 4.11Å; Y314-D318 WeakPolarHBondContact O-CB 3.48Å; Y314-D318 PolarHBondContact O-N 3.34Å
315	Y	94.9	Very high	93.5	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-73.3	-23.9	-179.5	-85.3	-79.3	0	0	0	114.2	T311 F312 R313 I317 D318 T319 F381 R384 R385 Y388 F389	T311-Y315 WeakPolarHBondContact O-CD2 3.36Å; T311-Y315 PolarHBondContact O-N 3.47Å; T311-Y315 VanDerWaalsContact O-N 3.11Å; F312-Y315 PolarHBondContact O-N 3.38Å; R313-Y315 PolarHBondContact O-N 2.85Å; Y315-I317 VanDerWaalsContact C-N 3.26Å; Y315-I317 PolarHBondContact O-N 3.47Å; Y315-D318 HydrophobicContact CD1-CB 4.4Å; Y315-T319 WeakPolarHBondContact O-CB 3.43Å; Y315-T319 PolarHBondContact O-N 3.25Å; Y315-T319 PolarHBondContact O-OG1 3.09Å; Y315-F381 HydrophobicContact CD1-CE2 4.29Å; Y315-F381 HydrophobicContact CD1-CZ 4.43Å; Y315-F381 HydrophobicContact CE1-CE2 4.23Å; Y315-R384 PolarHBondContact OH-O 3.42Å; Y315-R385 HydrophobicContact CD1-CB 4.13Å; Y315-R385 HydrophobicContact CD1-CG 3.8Å; Y315-R385 HydrophobicContact CE1-CB 3.49Å; Y315-R385 VanDerWaalsContact CE1-CB 3.49Å; Y315-R385 HydrophobicContact CE1-CG 3.66Å; Y315-R385 WeakPolarHBondContact OH-CA 3.27Å; Y315-R385 PolarHBondContact OH-N 2.93Å; Y315-Y388 AromaticContact CD2-CD1 3.87Å; Y315-Y388 HydrophobicContact CD2-CD1 3.87Å; Y315-Y388 HydrophobicContact CD2-CE1 4.01Å; Y315-Y388 AromaticContact CE2-CD1 3.12Å; Y315-Y388 HydrophobicContact CE2-CD1 3.12Å; Y315-Y388 AromaticContact CE2-CE1 3.54Å; Y315-Y388 HydrophobicContact CE2-CE1 3.54Å; Y315-Y388 AromaticContact CE2-CG 3.89Å; Y315-Y388 HydrophobicContact CE2-CG 3.89Å; Y315-F389 HydrophobicContact CD1-CE2 4.07Å; Y315-F389 HydrophobicContact CD2-CD2 4.22Å; Y315-F389 AromaticContact CD2-CE2 3.5Å; Y315-F389 HydrophobicContact CD2-CE2 3.5Å; Y315-F389 VanDerWaalsContact CD2-CE2 3.5Å; Y315-F389 AromaticContact CD2-CZ 3.95Å; Y315-F389 HydrophobicContact CD2-CZ 3.95Å; Y315-F389 HydrophobicContact CE2-CD2 4.48Å; Y315-F389 HydrophobicContact CE2-CE2 4.17Å; Y315-F389 HydrophobicContact CG-CD2 4.45Å; Y315-F389 AromaticContact CG-CE2 3.47Å; Y315-F389 HydrophobicContact CG-CE2 3.47Å; Y315-F389 VanDerWaalsContact CG-CE2 3.47Å; Y315-F389 AromaticContact CG-CZ 3.98Å; Y315-F389 HydrophobicContact CG-CZ 3.98Å
316	A	94.3	Very high	93.7	Very high	12 Å²	12	21.6 Å²	21.6	10%	0.099	11%	0.111	C	C	.	.	H	α-helix	trans	-64.2	-34.2	171.4	0	0	0	0	0	112	H235 I238 K239 F312 R313 Y314	H235-A316 PolarHBondContact CE1-O 3.32Å; I238-A316 HydrophobicContact CG1-CB 4.43Å; I238-A316 HydrophobicContact CG2-CB 4.2Å; K239-A316 HydrophobicContact CG-CB 4.27Å; F312-A316 WeakPolarHBondContact O-CB 3.24Å; F312-A316 PolarHBondContact O-N 2.83Å; R313-A316 PolarHBondContact O-N 3.14Å; Y314-A316 PolarHBondContact O-N 3.21Å
317	I	92.7	Very high	93.8	Very high	86 Å²	86	20.4 Å²	20.4	44%	0.441	10%	0.103	S	C	.	.	H	α-helix	trans	-84.2	-42.7	177	-49.7	165.1	0	0	0	110.4	P106 R313 Y314 Y315 T319 G320 A321	P106-I317 HydrophobicContact CB-CB 4.15Å; P106-I317 HydrophobicContact CB-CG2 3.41Å; P106-I317 VanDerWaalsContact CB-CG2 3.41Å; P106-I317 HydrophobicContact CG-CG2 4.28Å; R313-I317 WeakPolarHBondContact O-CG1 3.46Å; R313-I317 PolarHBondContact O-N 2.88Å; Y314-I317 PolarHBondContact O-N 3.19Å; Y315-I317 VanDerWaalsContact C-N 3.26Å; Y315-I317 PolarHBondContact O-N 3.47Å; I317-T319 VanDerWaalsContact C-N 3.32Å; I317-T319 PolarHBondContact O-N 2.94Å; I317-G320 VanDerWaalsContact O-CA 3.29Å; I317-G320 WeakPolarHBondContact O-CA 3.25Å; I317-G320 PolarHBondContact O-N 3.42Å; I317-A321 PolarHBondContact O-N 2.97Å; I317-A321 VanDerWaalsContact O-N 3.12Å
318	D	94.1	Very high	93.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.4	-36.4	179	-160	35	0	0	0	112.3	P106 R163 Y314 Y315 G320 A321 A322 F381	P106-D318 HydrophobicContact CG-CB 4.43Å; R163-D318 IonicContact CZ-OD1 3.12Å; R163-D318 VanDerWaalsContact NH1-CG 3.35Å; R163-D318 IonicContact NH1-OD1 3.75Å; R163-D318 PolarHBondContact NH1-OD1 3.45Å; R163-D318 IonicContact NH1-OD2 3.33Å; R163-D318 IonicContact NH2-OD1 3.1Å; R163-D318 PolarHBondContact NH2-OD1 3Å; R163-D318 VanDerWaalsContact NH2-OD1 3.15Å; Y314-D318 HydrophobicContact CD1-CB 4.48Å; Y314-D318 HydrophobicContact CE1-CB 4.11Å; Y314-D318 WeakPolarHBondContact O-CB 3.48Å; Y314-D318 PolarHBondContact O-N 3.34Å; Y315-D318 HydrophobicContact CD1-CB 4.4Å; D318-G320 VanDerWaalsContact C-N 3.25Å; D318-G320 PolarHBondContact O-N 2.85Å; D318-A321 WeakPolarHBondContact O-CB 3.47Å; D318-A321 PolarHBondContact O-N 2.89Å; D318-A321 VanDerWaalsContact O-N 3.14Å; D318-A322 PolarHBondContact O-N 3.46Å; D318-F381 HydrophobicContact CB-CE2 4.31Å; D318-F381 WeakPolarHBondContact OD2-CE2 3.38Å
319	T	94.9	Very high	93.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-31.5	171.2	-52.1	0	0	0	0	111.7	L231 Y234 H235 Y315 I317 A321 A322 R323	L231-T319 HydrophobicContact CD2-CG2 4.15Å; Y234-T319 HydrophobicContact CD1-CG2 3.64Å; Y234-T319 HydrophobicContact CE1-CG2 4.02Å; Y234-T319 WeakPolarHBondContact CE1-OG1 3.31Å; H235-T319 HydrophobicContact CB-CG2 3.67Å; H235-T319 WeakPolarHBondContact ND1-CG2 3.47Å; Y315-T319 WeakPolarHBondContact O-CB 3.43Å; Y315-T319 PolarHBondContact O-N 3.25Å; Y315-T319 PolarHBondContact O-OG1 3.09Å; I317-T319 VanDerWaalsContact C-N 3.32Å; I317-T319 PolarHBondContact O-N 2.94Å; T319-A321 VanDerWaalsContact C-N 3.35Å; T319-A322 PolarHBondContact O-N 2.98Å; T319-R323 WeakPolarHBondContact O-CG 3.41Å; T319-R323 PolarHBondContact O-N 3.47Å
320	G	92.4	Very high	93.7	Very high	20 Å²	20	19.4 Å²	19.4	21%	0.206	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-44.1	170.2	0	0	0	0	0	112	I317 D318 A322 R323 D324	I317-G320 VanDerWaalsContact O-CA 3.29Å; I317-G320 WeakPolarHBondContact O-CA 3.25Å; I317-G320 PolarHBondContact O-N 3.42Å; D318-G320 VanDerWaalsContact C-N 3.25Å; D318-G320 PolarHBondContact O-N 2.85Å; G320-A322 VanDerWaalsContact C-N 3.34Å; G320-A322 PolarHBondContact O-N 3.34Å; G320-R323 PolarHBondContact O-N 2.8Å; G320-D324 PolarHBondContact O-N 3.1Å
321	A	94	Very high	93.8	Very high	14 Å²	14	23.2 Å²	23.2	12%	0.116	11%	0.11	C	C	.	.	H	α-helix	trans	-64.2	-37.2	175.7	0	0	0	0	0	112.6	I103 V104 I317 D318 T319 D324 L325	I103-A321 HydrophobicContact CG2-CB 3.76Å; V104-A321 WeakPolarHBondContact O-CB 3.17Å; I317-A321 PolarHBondContact O-N 2.97Å; I317-A321 VanDerWaalsContact O-N 3.12Å; D318-A321 WeakPolarHBondContact O-CB 3.47Å; D318-A321 PolarHBondContact O-N 2.89Å; D318-A321 VanDerWaalsContact O-N 3.14Å; T319-A321 VanDerWaalsContact C-N 3.35Å; A321-D324 WeakPolarHBondContact O-CB 3.25Å; A321-D324 PolarHBondContact O-N 2.98Å; A321-L325 PolarHBondContact O-N 3.05Å; A321-L325 VanDerWaalsContact O-N 3.11Å
322	A	95.9	Very high	93.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-40.2	172.9	0	0	0	0	0	112.6	I103 L231 D318 T319 G320 L325 L326 L378 F381	I103-A322 HydrophobicContact CD1-CB 3.76Å; I103-A322 HydrophobicContact CG1-CB 4.46Å; L231-A322 HydrophobicContact CD1-CB 4.01Å; L231-A322 HydrophobicContact CD2-CB 4.36Å; D318-A322 PolarHBondContact O-N 3.46Å; T319-A322 PolarHBondContact O-N 2.98Å; G320-A322 VanDerWaalsContact C-N 3.34Å; G320-A322 PolarHBondContact O-N 3.34Å; A322-L325 WeakPolarHBondContact O-CB 3.36Å; A322-L325 PolarHBondContact O-N 3.47Å; A322-L326 PolarHBondContact O-N 3.24Å; A322-L378 HydrophobicContact CB-CD2 4.36Å; A322-F381 HydrophobicContact CB-CD1 4.45Å; A322-F381 HydrophobicContact CB-CE1 4.33Å; A322-F381 HydrophobicContact CB-CE2 4.41Å; A322-F381 HydrophobicContact CB-CZ 4.3Å
323	R	93.5	Very high	93.7	Very high	46 Å²	46	22.3 Å²	22.3	17%	0.174	11%	0.107	C	C	.	.	H	α-helix	trans	-66.4	-37.8	173.9	-72.5	-178.5	59.4	-146.4	-11.7	112.4	E210 H235 T319 G320 L325 L326 Y327	E210-R323 IonicContact OE1-CZ 2.66Å; E210-R323 IonicContact OE1-NE 2.87Å; E210-R323 PolarHBondContact OE1-NE 3.42Å; E210-R323 IonicContact OE1-NH1 3.95Å; E210-R323 IonicContact OE1-NH2 2.59Å; E210-R323 PolarHBondContact OE1-NH2 2.7Å; H235-R323 PolarHBondContact CD2-NH1 2.75Å; H235-R323 PolarHBondContact NE2-NH1 3.12Å; T319-R323 WeakPolarHBondContact O-CG 3.41Å; T319-R323 PolarHBondContact O-N 3.47Å; G320-R323 PolarHBondContact O-N 2.8Å; R323-L325 VanDerWaalsContact C-N 3.28Å; R323-L325 PolarHBondContact O-N 3.11Å; R323-L326 WeakPolarHBondContact O-CB 3.44Å; R323-L326 PolarHBondContact O-N 2.66Å; R323-L326 VanDerWaalsContact O-N 3.13Å; R323-Y327 PolarHBondContact O-N 2.59Å
324	D	91.8	Very high	93.6	Very high	40 Å²	40	19.3 Å²	19.3	21%	0.214	10%	0.096	C	C	.	.	H	α-helix	trans	-61.8	-34.6	174.5	-91.2	-15.5	0	0	0	112.7	K206 G320 A321 R328	K206-D324 VanDerWaalsContact CE-OD1 3.24Å; K206-D324 WeakPolarHBondContact CE-OD1 3.44Å; K206-D324 IonicContact NZ-OD1 2.72Å; K206-D324 PolarHBondContact NZ-OD1 3.22Å; K206-D324 IonicContact NZ-OD2 3.44Å; K206-D324 PolarHBondContact NZ-OD2 3.19Å; G320-D324 PolarHBondContact O-N 3.1Å; A321-D324 WeakPolarHBondContact O-CB 3.25Å; A321-D324 PolarHBondContact O-N 2.98Å; D324-R328 WeakPolarHBondContact O-CG 3.33Å; D324-R328 PolarHBondContact O-N 3.44Å; D324-R328 PolarHBondContact O-NE 3.38Å
325	L	94.5	Very high	93.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.2	-47.9	170	171	163.5	0	0	0	111.6	G101 I103 A321 A322 R323 Y327 R328 R329 A374 E377 L378	G101-L325 VanDerWaalsContact O-CD1 3.31Å; G101-L325 WeakPolarHBondContact O-CD1 3.4Å; I103-L325 HydrophobicContact CD1-CD1 4.35Å; I103-L325 HydrophobicContact CG1-CB 4.26Å; I103-L325 HydrophobicContact CG1-CD1 3.5Å; A321-L325 PolarHBondContact O-N 3.05Å; A321-L325 VanDerWaalsContact O-N 3.11Å; A322-L325 WeakPolarHBondContact O-CB 3.36Å; A322-L325 PolarHBondContact O-N 3.47Å; R323-L325 VanDerWaalsContact C-N 3.28Å; R323-L325 PolarHBondContact O-N 3.11Å; L325-Y327 PolarHBondContact O-N 3.42Å; L325-R328 PolarHBondContact O-N 2.94Å; L325-R329 PolarHBondContact O-N 3.42Å; L325-A374 HydrophobicContact CD1-CB 4.28Å; L325-A374 HydrophobicContact CD2-CB 3.5Å; L325-A374 VanDerWaalsContact CD2-CB 3.5Å; L325-A374 HydrophobicContact CG-CB 4.13Å; L325-E377 HydrophobicContact CD1-CB 4.17Å; L325-E377 HydrophobicContact CD1-CG 4.19Å; L325-L378 HydrophobicContact CD2-CD1 3.82Å; L325-L378 HydrophobicContact CD2-CD2 4.35Å; L325-L378 HydrophobicContact CD2-CG 4.07Å
326	L	94.3	Very high	93.7	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-39	176.9	-72.9	-179.8	0	0	0	111.8	L214 F224 K228 L231 A322 R323 R329 C330 L378	L214-L326 HydrophobicContact CD2-CB 3.88Å; F224-L326 HydrophobicContact CD1-CD2 3.84Å; F224-L326 HydrophobicContact CE1-CD2 4.41Å; K228-L326 HydrophobicContact CB-CD1 4.42Å; K228-L326 HydrophobicContact CG-CD1 3.86Å; K228-L326 HydrophobicContact CG-CD2 4.47Å; L231-L326 HydrophobicContact CB-CD1 4.39Å; L231-L326 HydrophobicContact CD1-CD1 3.57Å; L231-L326 HydrophobicContact CD1-CG 4.24Å; A322-L326 PolarHBondContact O-N 3.24Å; R323-L326 WeakPolarHBondContact O-CB 3.44Å; R323-L326 PolarHBondContact O-N 2.66Å; R323-L326 VanDerWaalsContact O-N 3.13Å; L326-R329 PolarHBondContact O-N 2.89Å; L326-C330 PolarHBondContact O-N 3.07Å; L326-C330 PolarHBondContact O-SG 2.99Å; L326-L378 HydrophobicContact CD2-CD1 3.8Å
327	Y	91.8	Very high	93.8	Very high	28 Å²	28	26.7 Å²	26.7	11%	0.11	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-49	175.7	167.9	-109.8	0	0	0	112.3	K206 D209 E210 W213 R323 L325 R329 C330 R331	K206-Y327 HydrophobicContact CG-CE1 4.12Å; D209-Y327 PolarHBondContact OD2-OH 3.48Å; E210-Y327 HydrophobicContact CB-CD2 3.93Å; E210-Y327 HydrophobicContact CB-CE2 4.29Å; E210-Y327 HydrophobicContact CB-CG 4.21Å; E210-Y327 HydrophobicContact CG-CD2 4.12Å; E210-Y327 HydrophobicContact CG-CG 4.07Å; W213-Y327 HydrophobicContact CB-CD2 4.37Å; W213-Y327 HydrophobicContact CB-CE2 4.37Å; W213-Y327 AromaticContact CD1-CE2 3.89Å; W213-Y327 HydrophobicContact CG-CE2 4.41Å; R323-Y327 PolarHBondContact O-N 2.59Å; L325-Y327 PolarHBondContact O-N 3.42Å; Y327-R329 VanDerWaalsContact C-N 3.27Å; Y327-R329 PolarHBondContact O-N 3.34Å; Y327-C330 WeakPolarHBondContact O-CB 3.48Å; Y327-C330 PolarHBondContact O-N 2.82Å; Y327-C330 VanDerWaalsContact O-N 3.08Å; Y327-R331 HydrophobicContact CD2-CG 4.16Å; Y327-R331 HydrophobicContact CE1-CG 4.24Å; Y327-R331 HydrophobicContact CE2-CG 3.64Å; Y327-R331 WeakPolarHBondContact O-CG 3.33Å; Y327-R331 PolarHBondContact O-N 2.9Å
328	R	92.7	Very high	93.9	Very high	40 Å²	40	25.2 Å²	25.2	15%	0.151	12%	0.124	C	C	.	.	H	α-helix	trans	-58	-40.7	176.1	-75.9	177.7	-70.2	158.8	8.4	111.7	Y99 A100 L102 D324 L325 R331 A332	Y99-R328 PolarHBondContact O-NH1 3.09Å; A100-R328 VanDerWaalsContact CA-NH1 3.35Å; A100-R328 VanDerWaalsContact O-CZ 3.25Å; A100-R328 PolarHBondContact O-NE 3.37Å; A100-R328 PolarHBondContact O-NH1 2.71Å; L102-R328 PolarHBondContact O-NH2 3.19Å; D324-R328 WeakPolarHBondContact O-CG 3.33Å; D324-R328 PolarHBondContact O-N 3.44Å; D324-R328 PolarHBondContact O-NE 3.38Å; L325-R328 PolarHBondContact O-N 2.94Å; R328-R331 PolarHBondContact O-N 3.43Å; R328-A332 PolarHBondContact O-N 3.49Å
329	R	95	Very high	94.1	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-43.9	173	-173.8	-178.4	165.1	-83	0.6	112.6	D219 F224 L325 L326 Y327 R331 A332 L333 F367 I370 S371	D219-R329 IonicContact OD1-CZ 2.92Å; D219-R329 IonicContact OD1-NH1 3.97Å; D219-R329 IonicContact OD1-NH2 2.66Å; D219-R329 PolarHBondContact OD1-NH2 3.47Å; D219-R329 IonicContact OD2-CZ 2.84Å; D219-R329 IonicContact OD2-NH1 3.62Å; D219-R329 PolarHBondContact OD2-NH1 3.33Å; D219-R329 IonicContact OD2-NH2 3.98Å; F224-R329 VanDerWaalsContact CE2-CZ 3.48Å; F224-R329 VanDerWaalsContact CE2-NE 3.25Å; F224-R329 VanDerWaalsContact CZ-NE 3.31Å; L325-R329 PolarHBondContact O-N 3.42Å; L326-R329 PolarHBondContact O-N 2.89Å; Y327-R329 VanDerWaalsContact C-N 3.27Å; Y327-R329 PolarHBondContact O-N 3.34Å; R329-R331 VanDerWaalsContact C-N 3.31Å; R329-R331 PolarHBondContact O-N 3.28Å; R329-A332 PolarHBondContact O-N 3.43Å; R329-L333 PolarHBondContact O-N 3.37Å; R329-F367 HydrophobicContact CG-CD2 4.45Å; R329-F367 HydrophobicContact CG-CE2 4.06Å; R329-I370 HydrophobicContact CB-CG2 3.79Å; R329-I370 HydrophobicContact CG-CG2 4.08Å; R329-S371 PolarHBondContact NE-OG 2.9Å
330	C	93.3	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.8	-39.7	177.7	-68.7	0	0	0	0	112.3	Q217 K228 L326 Y327 L333 A334	Q217-C330 HydrophobicContact CB-CB 4.49Å; Q217-C330 HydrophobicContact CG-CB 4.47Å; K228-C330 WeakPolarHBondContact CE-SG 3.45Å; K228-C330 PolarHBondContact NZ-SG 3.09Å; L326-C330 PolarHBondContact O-N 3.07Å; L326-C330 PolarHBondContact O-SG 2.99Å; Y327-C330 WeakPolarHBondContact O-CB 3.48Å; Y327-C330 PolarHBondContact O-N 2.82Å; Y327-C330 VanDerWaalsContact O-N 3.08Å; C330-L333 WeakPolarHBondContact O-CB 3.43Å; C330-L333 PolarHBondContact O-N 3.06Å; C330-A334 PolarHBondContact O-N 3.16Å
331	R	91.9	Very high	94.4	Very high	83 Å²	83	33.2 Å²	33.2	31%	0.313	16%	0.155	S	C	.	.	H	α-helix	trans	-62.2	-46.7	173.8	-71.2	-67.4	-58.1	-148.5	4.1	111.1	D209 Y327 R328 R329 L333 A334 D335	D209-R331 IonicContact OD1-NH1 2.82Å; D209-R331 IonicContact OD2-CZ 3.21Å; D209-R331 IonicContact OD2-NH1 3.13Å; D209-R331 PolarHBondContact OD2-NH1 3.02Å; Y327-R331 HydrophobicContact CD2-CG 4.16Å; Y327-R331 HydrophobicContact CE1-CG 4.24Å; Y327-R331 HydrophobicContact CE2-CG 3.64Å; Y327-R331 WeakPolarHBondContact O-CG 3.33Å; Y327-R331 PolarHBondContact O-N 2.9Å; R328-R331 PolarHBondContact O-N 3.43Å; R329-R331 VanDerWaalsContact C-N 3.31Å; R329-R331 PolarHBondContact O-N 3.28Å; R331-L333 VanDerWaalsContact C-N 3.28Å; R331-L333 PolarHBondContact O-N 3.44Å; R331-A334 PolarHBondContact O-N 2.96Å; R331-A334 VanDerWaalsContact O-N 3.12Å; R331-D335 VanDerWaalsContact O-CG 3.22Å; R331-D335 PolarHBondContact O-N 3.43Å
332	A	93.9	Very high	94.5	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-37.3	176.1	0	0	0	0	0	112.7	R328 R329 Y336 F367 I370	R328-A332 PolarHBondContact O-N 3.49Å; R329-A332 PolarHBondContact O-N 3.43Å; A332-Y336 WeakPolarHBondContact O-CB 3.29Å; A332-Y336 PolarHBondContact O-N 3.15Å; A332-F367 HydrophobicContact CB-CB 4.3Å; A332-F367 HydrophobicContact CB-CD2 4.29Å; A332-I370 HydrophobicContact CB-CD1 3.79Å
333	L	94.8	Very high	94.6	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-46.6	172.9	178.7	57.7	0	0	0	111.8	Q217 D219 R329 C330 R331 D335 Y336 E337 F367	Q217-L333 HydrophobicContact CG-CD2 4.04Å; Q217-L333 HydrophobicContact CG-CG 4.49Å; D219-L333 HydrophobicContact CB-CD2 4.42Å; R329-L333 PolarHBondContact O-N 3.37Å; C330-L333 WeakPolarHBondContact O-CB 3.43Å; C330-L333 PolarHBondContact O-N 3.06Å; R331-L333 VanDerWaalsContact C-N 3.28Å; R331-L333 PolarHBondContact O-N 3.44Å; L333-D335 VanDerWaalsContact C-N 3.32Å; L333-D335 PolarHBondContact O-N 2.87Å; L333-Y336 HydrophobicContact CD1-CD1 4.45Å; L333-Y336 WeakPolarHBondContact O-CB 3.38Å; L333-Y336 PolarHBondContact O-N 2.78Å; L333-E337 HydrophobicContact CD1-CG 4.37Å; L333-E337 WeakPolarHBondContact O-CG 3.45Å; L333-E337 PolarHBondContact O-N 3.1Å; L333-F367 HydrophobicContact CB-CD2 3.86Å; L333-F367 HydrophobicContact CB-CE2 3.63Å; L333-F367 HydrophobicContact CB-CZ 4.28Å; L333-F367 HydrophobicContact CD1-CD2 4.46Å; L333-F367 HydrophobicContact CD1-CE1 4.06Å; L333-F367 HydrophobicContact CD1-CE2 4.01Å; L333-F367 HydrophobicContact CD1-CZ 3.78Å; L333-F367 HydrophobicContact CG-CE2 4.25Å; L333-F367 HydrophobicContact CG-CZ 4.42Å
334	A	92.4	Very high	94.8	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.033	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-37.1	179.1	0	0	0	0	0	112.5	W213 C330 R331 T338	W213-A334 HydrophobicContact CE3-CB 4.04Å; W213-A334 HydrophobicContact CH2-CB 3.92Å; W213-A334 HydrophobicContact CZ3-CB 3.45Å; W213-A334 VanDerWaalsContact CZ3-CB 3.45Å; C330-A334 PolarHBondContact O-N 3.16Å; R331-A334 PolarHBondContact O-N 2.96Å; R331-A334 VanDerWaalsContact O-N 3.12Å; A334-T338 WeakPolarHBondContact O-CB 3.24Å; A334-T338 PolarHBondContact O-N 3.25Å; A334-T338 PolarHBondContact O-OG1 2.94Å
335	D	93.8	Very high	95	Very high	74 Å²	74	42.8 Å²	42.8	40%	0.396	20%	0.202	S	C	.	.	H	α-helix	trans	-64.3	-44.5	174.5	-66.8	-24.3	0	0	0	110.3	R331 L333 T338 A339	R331-D335 VanDerWaalsContact O-CG 3.22Å; R331-D335 PolarHBondContact O-N 3.43Å; L333-D335 VanDerWaalsContact C-N 3.32Å; L333-D335 PolarHBondContact O-N 2.87Å; D335-T338 PolarHBondContact O-N 2.91Å; D335-A339 WeakPolarHBondContact O-CB 3.44Å; D335-A339 PolarHBondContact O-N 2.75Å
336	Y	96.4	Very high	95.1	Very high	48 Å²	48	43.4 Å²	43.4	19%	0.188	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-45.8	174.9	173.3	-124	0	0	0	112.9	A332 L333 T338 A339 N340 Q360 A363 N364 F367	A332-Y336 WeakPolarHBondContact O-CB 3.29Å; A332-Y336 PolarHBondContact O-N 3.15Å; L333-Y336 HydrophobicContact CD1-CD1 4.45Å; L333-Y336 WeakPolarHBondContact O-CB 3.38Å; L333-Y336 PolarHBondContact O-N 2.78Å; Y336-T338 VanDerWaalsContact C-N 3.28Å; Y336-T338 PolarHBondContact O-N 3.14Å; Y336-A339 PolarHBondContact O-N 2.74Å; Y336-N340 VanDerWaalsContact CZ-ND2 3.32Å; Y336-N340 PolarHBondContact O-N 3.31Å; Y336-N340 PolarHBondContact O-ND2 3.1Å; Y336-Q360 HydrophobicContact CE2-CG 4.15Å; Y336-Q360 VanDerWaalsContact CE2-NE2 3.29Å; Y336-Q360 PolarHBondContact OH-NE2 3.34Å; Y336-A363 HydrophobicContact CD2-CB 4.35Å; Y336-N364 HydrophobicContact CD2-CB 3.72Å; Y336-N364 HydrophobicContact CE2-CB 3.4Å; Y336-N364 VanDerWaalsContact CE2-CB 3.4Å; Y336-F367 HydrophobicContact CD1-CD1 4.39Å
337	E	94.9	Very high	95.2	Very high	58 Å²	58	49 Å²	49	27%	0.271	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-36.6	175.2	-72.5	177.5	164.3	0	0	112.5	Q217 L333 N340 R341	Q217-E337 PolarHBondContact NE2-OE2 2.99Å; L333-E337 HydrophobicContact CD1-CG 4.37Å; L333-E337 WeakPolarHBondContact O-CG 3.45Å; L333-E337 PolarHBondContact O-N 3.1Å; E337-N340 PolarHBondContact O-N 2.79Å; E337-R341 WeakPolarHBondContact O-CG 3.38Å; E337-R341 PolarHBondContact O-N 3.13Å; E337-R341 VanDerWaalsContact O-N 3.09Å
338	T	95.7	Very high	95.5	Very high	54 Å²	54	51.8 Å²	51.8	33%	0.331	26%	0.257	S	S	.	.	H	α-helix	trans	-67.3	-41.5	175.2	-61	0	0	0	0	111.2	A334 D335 Y336 N340 R341 N342	A334-T338 WeakPolarHBondContact O-CB 3.24Å; A334-T338 PolarHBondContact O-N 3.25Å; A334-T338 PolarHBondContact O-OG1 2.94Å; D335-T338 PolarHBondContact O-N 2.91Å; Y336-T338 VanDerWaalsContact C-N 3.28Å; Y336-T338 PolarHBondContact O-N 3.14Å; T338-N340 VanDerWaalsContact C-N 3.35Å; T338-R341 PolarHBondContact O-N 3.42Å; T338-R341 PolarHBondContact OG1-NH2 3.39Å; T338-N342 VanDerWaalsContact O-CG 3.25Å; T338-N342 PolarHBondContact O-N 3.29Å; T338-N342 PolarHBondContact O-ND2 3.22Å
339	A	97.3	Very high	95.6	Very high	14 Å²	14	59.1 Å²	59.1	12%	0.116	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-40	174.3	0	0	0	0	0	112	D335 Y336 N342 L343 Q360 A363	D335-A339 WeakPolarHBondContact O-CB 3.44Å; D335-A339 PolarHBondContact O-N 2.75Å; Y336-A339 PolarHBondContact O-N 2.74Å; A339-N342 PolarHBondContact O-N 3.13Å; A339-L343 WeakPolarHBondContact O-CB 3.45Å; A339-L343 PolarHBondContact O-N 3.03Å; A339-Q360 HydrophobicContact CB-CB 4.06Å; A339-Q360 HydrophobicContact CB-CG 4.33Å; A339-A363 HydrophobicContact CB-CB 4.11Å
340	N	97.1	Very high	95.6	Very high	45 Å²	45	67.3 Å²	67.3	24%	0.241	33%	0.325	C	S	.	.	H	α-helix	trans	-57.2	-50.9	172.4	-76.1	-33.5	0	0	0	112	Y336 E337 T338 N342 L343 D344 Q360	Y336-N340 VanDerWaalsContact CZ-ND2 3.32Å; Y336-N340 PolarHBondContact O-N 3.31Å; Y336-N340 PolarHBondContact O-ND2 3.1Å; E337-N340 PolarHBondContact O-N 2.79Å; T338-N340 VanDerWaalsContact C-N 3.35Å; N340-N342 VanDerWaalsContact C-N 3.25Å; N340-N342 PolarHBondContact O-N 3.42Å; N340-L343 WeakPolarHBondContact O-CB 3.49Å; N340-L343 PolarHBondContact O-N 3.49Å; N340-D344 PolarHBondContact O-N 3.42Å; N340-Q360 WeakPolarHBondContact OD1-CG 3.23Å; N340-Q360 PolarHBondContact OD1-NE2 3.04Å
341	R	97	Very high	95.6	Very high	130 Å²	130	73.7 Å²	73.7	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-34.8	177.8	-70.3	-176.8	-68.7	-121.4	0.1	112.7	E337 T338 K345	E337-R341 WeakPolarHBondContact O-CG 3.38Å; E337-R341 PolarHBondContact O-N 3.13Å; E337-R341 VanDerWaalsContact O-N 3.09Å; T338-R341 PolarHBondContact O-N 3.42Å; T338-R341 PolarHBondContact OG1-NH2 3.39Å; R341-K345 WeakPolarHBondContact O-CG 3.48Å; R341-K345 PolarHBondContact O-N 2.93Å
342	N	97	Very high	95.7	Very high	81 Å²	81	74.7 Å²	74.7	43%	0.433	36%	0.364	S	S	.	.	H	α-helix	trans	-72.1	-39.2	178.3	-71.1	-18.1	0	0	0	111.5	T338 A339 N340 K345 A346	T338-N342 VanDerWaalsContact O-CG 3.25Å; T338-N342 PolarHBondContact O-N 3.29Å; T338-N342 PolarHBondContact O-ND2 3.22Å; A339-N342 PolarHBondContact O-N 3.13Å; N340-N342 VanDerWaalsContact C-N 3.25Å; N340-N342 PolarHBondContact O-N 3.42Å; N342-K345 PolarHBondContact O-N 3.17Å; N342-A346 WeakPolarHBondContact O-CB 3.35Å; N342-A346 PolarHBondContact O-N 2.89Å
343	L	97.4	Very high	95.8	Very high	6 Å²	6	76.7 Å²	76.7	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-61.3	-43.5	172.8	178.7	56.2	0	0	0	111.8	A339 N340 K345 A346 R347 V353 A356 E357 Q360	A339-L343 WeakPolarHBondContact O-CB 3.45Å; A339-L343 PolarHBondContact O-N 3.03Å; N340-L343 WeakPolarHBondContact O-CB 3.49Å; N340-L343 PolarHBondContact O-N 3.49Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.37Å; L343-A346 PolarHBondContact O-N 2.89Å; L343-R347 HydrophobicContact CD1-CG 4.19Å; L343-R347 WeakPolarHBondContact O-CB 3.38Å; L343-R347 WeakPolarHBondContact O-CG 3.48Å; L343-R347 PolarHBondContact O-N 3.46Å; L343-V353 HydrophobicContact CD1-CG1 4.49Å; L343-A356 HydrophobicContact CB-CB 4.35Å; L343-A356 HydrophobicContact CD1-CB 3.98Å; L343-E357 HydrophobicContact CD1-CB 3.95Å; L343-Q360 HydrophobicContact CD2-CB 4.07Å; L343-Q360 HydrophobicContact CD2-CG 4.03Å
344	D	97.1	Very high	95.9	Very high	97 Å²	97	81.5 Å²	81.5	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-60.5	-41.4	176.1	-68.4	-27.3	0	0	0	112.1	N340 R347 A348	N340-D344 PolarHBondContact O-N 3.42Å; D344-R347 PolarHBondContact O-N 3.45Å; D344-A348 WeakPolarHBondContact O-CB 3.49Å; D344-A348 PolarHBondContact O-N 2.89Å
345	K	97.2	Very high	96.1	Very high	116 Å²	116	86 Å²	86	50%	0.504	43%	0.425	S	S	.	.	H	α-helix	trans	-66.3	-41	175.5	-71	169.9	-174.1	172.2	0	112.3	R341 N342 L343 A348 R349	R341-K345 WeakPolarHBondContact O-CG 3.48Å; R341-K345 PolarHBondContact O-N 2.93Å; N342-K345 PolarHBondContact O-N 3.17Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.37Å; K345-A348 PolarHBondContact O-N 3.06Å; K345-R349 WeakPolarHBondContact O-CB 3.25Å; K345-R349 VanDerWaalsContact O-CG 3.29Å; K345-R349 WeakPolarHBondContact O-CG 3.44Å; K345-R349 PolarHBondContact O-N 3.4Å
346	A	96.3	Very high	96.2	Very high	13 Å²	13	83.3 Å²	83.3	11%	0.107	41%	0.413	C	S	.	.	H	α-helix	trans	-63.1	-45.4	177.3	0	0	0	0	0	110.7	N342 L343 R349 M350 K351 A356	N342-A346 WeakPolarHBondContact O-CB 3.35Å; N342-A346 PolarHBondContact O-N 2.89Å; L343-A346 PolarHBondContact O-N 2.89Å; A346-R349 CarbonylContact O-C 3.59Å; A346-R349 PolarHBondContact O-N 3.45Å; A346-M350 PolarHBondContact O-N 3.14Å; A346-K351 WeakPolarHBondContact CA-O 3.33Å; A346-K351 WeakPolarHBondContact CB-O 3.42Å; A346-K351 PolarHBondContact O-N 3.02Å; A346-K351 VanDerWaalsContact O-N 3.16Å; A346-A356 HydrophobicContact CB-CB 3.69Å
347	R	96.9	Very high	96.3	Very high	120 Å²	120	84.1 Å²	84.1	45%	0.453	42%	0.419	S	S	.	.	H	α-helix	trans	-59.8	-46.7	174	-73.4	173.9	174.2	169.9	-1.9	111.8	L343 D344 R349 M350 V353 E357	L343-R347 HydrophobicContact CD1-CG 4.19Å; L343-R347 WeakPolarHBondContact O-CB 3.38Å; L343-R347 WeakPolarHBondContact O-CG 3.48Å; L343-R347 PolarHBondContact O-N 3.46Å; D344-R347 PolarHBondContact O-N 3.45Å; R347-R349 VanDerWaalsContact C-N 3.27Å; R347-R349 PolarHBondContact O-N 2.87Å; R347-M350 PolarHBondContact O-N 3.35Å; R347-M350 VanDerWaalsContact O-N 3.16Å; R347-V353 HydrophobicContact CG-CG1 3.95Å; R347-E357 IonicContact NH2-OE1 3.94Å; R347-E357 PolarHBondContact NH2-OE1 3.34Å; R347-E357 VanDerWaalsContact NH2-OE1 3.13Å
348	A	96.8	Very high	96.4	Very high	86 Å²	86	85.6 Å²	85.6	71%	0.711	43%	0.429	S	S	*	.	H	α-helix	trans	-63.5	-30.4	177.9	0	0	0	0	0	113.5	D344 K345	D344-A348 WeakPolarHBondContact O-CB 3.49Å; D344-A348 PolarHBondContact O-N 2.89Å; K345-A348 PolarHBondContact O-N 3.06Å
349	R	95.9	Very high	96.5	Very high	195 Å²	195	85.6 Å²	85.6	74%	0.736	43%	0.434	S	S	*	.	H	α-helix	trans	-92	-5.7	177.7	-67.4	174.5	-179.2	-170.5	-1.2	113.6	K345 A346 R347 K351	K345-R349 WeakPolarHBondContact O-CB 3.25Å; K345-R349 VanDerWaalsContact O-CG 3.29Å; K345-R349 WeakPolarHBondContact O-CG 3.44Å; K345-R349 PolarHBondContact O-N 3.4Å; A346-R349 CarbonylContact O-C 3.59Å; A346-R349 PolarHBondContact O-N 3.45Å; R347-R349 VanDerWaalsContact C-N 3.27Å; R347-R349 PolarHBondContact O-N 2.87Å; R349-K351 HydrophobicContact CB-CB 4.33Å; R349-K351 PolarHBondContact O-N 3.08Å; R349-K351 VanDerWaalsContact O-N 3.15Å
350	M	93.5	Very high	96.5	Very high	172 Å²	172	86.3 Å²	86.3	85%	0.847	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	34.5	-172	-57.3	-179.6	177.8	0	0	113	A346 R347	A346-M350 PolarHBondContact O-N 3.14Å; R347-M350 PolarHBondContact O-N 3.35Å; R347-M350 VanDerWaalsContact O-N 3.16Å
351	K	95	Very high	96.6	Very high	135 Å²	135	86.9 Å²	86.9	59%	0.587	44%	0.44	S	S	*	.	S	Bend	trans	-134	137.5	-175	-165.4	-167.5	172.1	-174.9	0	109.9	A346 R349 V353	A346-K351 WeakPolarHBondContact CA-O 3.33Å; A346-K351 WeakPolarHBondContact CB-O 3.42Å; A346-K351 PolarHBondContact O-N 3.02Å; A346-K351 VanDerWaalsContact O-N 3.16Å; R349-K351 HydrophobicContact CB-CB 4.33Å; R349-K351 PolarHBondContact O-N 3.08Å; R349-K351 VanDerWaalsContact O-N 3.15Å; K351-V353 PolarHBondContact O-N 3.28Å; K351-V353 VanDerWaalsContact O-N 3.12Å
352	D	94.3	Very high	96.6	Very high	103 Å²	103	83.3 Å²	83.3	55%	0.551	44%	0.439	S	S	*	.	S	Bend	trans	55.8	28	176.1	-49.5	-40.3	0	0	0	113.4	Q354 T355 A356	D352-Q354 PolarHBondContact O-N 3.11Å; D352-T355 PolarHBondContact O-N 2.97Å; D352-A356 PolarHBondContact O-N 3.12Å; D352-A356 VanDerWaalsContact O-N 3.09Å
353	V	95.7	Very high	96.7	Very high	44 Å²	44	80.3 Å²	80.3	27%	0.267	43%	0.425	S	S	.	.	H	α-helix	trans	-61.1	-47.9	-173.6	-178.7	0	0	0	0	111.4	L343 R347 K351 T355 A356 E357	L343-V353 HydrophobicContact CD1-CG1 4.49Å; R347-V353 HydrophobicContact CG-CG1 3.95Å; K351-V353 PolarHBondContact O-N 3.28Å; K351-V353 VanDerWaalsContact O-N 3.12Å; V353-T355 PolarHBondContact O-N 2.92Å; V353-A356 PolarHBondContact O-N 2.96Å; V353-E357 WeakPolarHBondContact O-CB 3.27Å; V353-E357 PolarHBondContact O-N 3.4Å
354	Q	95.7	Very high	96.7	Very high	116 Å²	116	81.4 Å²	81.4	54%	0.542	43%	0.431	S	S	.	.	H	α-helix	trans	-59.7	-47.3	-179.2	-172	62.3	50.2	0	0	111.5	D352 A356 E357 D358	D352-Q354 PolarHBondContact O-N 3.11Å; Q354-A356 VanDerWaalsContact C-N 3.31Å; Q354-A356 PolarHBondContact O-N 3.25Å; Q354-E357 WeakPolarHBondContact O-CB 3.37Å; Q354-E357 PolarHBondContact O-N 3Å; Q354-E357 VanDerWaalsContact O-N 3.1Å; Q354-D358 PolarHBondContact NE2-OD1 2.9Å; Q354-D358 PolarHBondContact O-N 2.98Å
355	T	96.5	Very high	96.7	Very high	98 Å²	98	82.7 Å²	82.7	60%	0.601	43%	0.434	S	S	*	.	H	α-helix	trans	-61.7	-39.3	178.8	-52.8	0	0	0	0	112.2	D352 V353 E357 A359	D352-T355 PolarHBondContact O-N 2.97Å; V353-T355 PolarHBondContact O-N 2.92Å; T355-E357 VanDerWaalsContact C-N 3.33Å; T355-A359 WeakPolarHBondContact O-CB 3.35Å; T355-A359 PolarHBondContact O-N 3.35Å; T355-A359 VanDerWaalsContact O-N 3.13Å
356	A	96.8	Very high	96.7	Very high	18 Å²	18	81.4 Å²	81.4	15%	0.149	43%	0.426	C	S	.	.	H	α-helix	trans	-69	-32.7	176	0	0	0	0	0	112.4	L343 A346 D352 V353 Q354 Q360	L343-A356 HydrophobicContact CB-CB 4.35Å; L343-A356 HydrophobicContact CD1-CB 3.98Å; A346-A356 HydrophobicContact CB-CB 3.69Å; D352-A356 PolarHBondContact O-N 3.12Å; D352-A356 VanDerWaalsContact O-N 3.09Å; V353-A356 PolarHBondContact O-N 2.96Å; Q354-A356 VanDerWaalsContact C-N 3.31Å; Q354-A356 PolarHBondContact O-N 3.25Å; A356-Q360 WeakPolarHBondContact O-CB 3.47Å; A356-Q360 PolarHBondContact O-N 3.1Å
357	E	97.5	Very high	96.7	Very high	66 Å²	66	82.1 Å²	82.1	31%	0.308	43%	0.426	S	S	.	.	H	α-helix	trans	-71.2	-43.3	177.4	-172.2	155.9	-128.7	0	0	111.7	L343 R347 V353 Q354 T355 A359 Q360 T361	L343-E357 HydrophobicContact CD1-CB 3.95Å; R347-E357 IonicContact NH2-OE1 3.94Å; R347-E357 PolarHBondContact NH2-OE1 3.34Å; R347-E357 VanDerWaalsContact NH2-OE1 3.13Å; V353-E357 WeakPolarHBondContact O-CB 3.27Å; V353-E357 PolarHBondContact O-N 3.4Å; Q354-E357 WeakPolarHBondContact O-CB 3.37Å; Q354-E357 PolarHBondContact O-N 3Å; Q354-E357 VanDerWaalsContact O-N 3.1Å; T355-E357 VanDerWaalsContact C-N 3.33Å; E357-A359 VanDerWaalsContact C-N 3.35Å; E357-A359 PolarHBondContact O-N 3.44Å; E357-Q360 PolarHBondContact O-N 2.89Å; E357-T361 WeakPolarHBondContact O-CB 3.33Å; E357-T361 PolarHBondContact O-N 2.9Å; E357-T361 PolarHBondContact O-OG1 3.2Å
358	D	98	Very high	96.7	Very high	89 Å²	89	81.6 Å²	81.6	48%	0.476	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-43.8	174.5	-60	-21.5	0	0	0	110.8	Q354 T361 A362	Q354-D358 PolarHBondContact NE2-OD1 2.9Å; Q354-D358 PolarHBondContact O-N 2.98Å; D358-T361 PolarHBondContact O-N 3.26Å; D358-A362 WeakPolarHBondContact O-CB 3.35Å; D358-A362 PolarHBondContact O-N 3.49Å
359	A	97.7	Very high	96.7	Very high	54 Å²	54	81 Å²	81	45%	0.446	42%	0.418	S	S	.	.	H	α-helix	trans	-65.6	-39.7	178.1	0	0	0	0	0	112.8	T355 E357 A363	T355-A359 WeakPolarHBondContact O-CB 3.35Å; T355-A359 PolarHBondContact O-N 3.35Å; T355-A359 VanDerWaalsContact O-N 3.13Å; E357-A359 VanDerWaalsContact C-N 3.35Å; E357-A359 PolarHBondContact O-N 3.44Å; A359-A363 WeakPolarHBondContact O-CB 3.49Å; A359-A363 PolarHBondContact O-N 3.26Å
360	Q	98.2	Very high	96.8	Very high	29 Å²	29	72.1 Å²	72.1	14%	0.136	39%	0.385	C	S	.	.	H	α-helix	trans	-65.5	-41.4	174.8	-174.9	-84.7	1.7	0	0	111.4	Y336 A339 N340 L343 A356 E357 A363 N364	Y336-Q360 HydrophobicContact CE2-CG 4.15Å; Y336-Q360 VanDerWaalsContact CE2-NE2 3.29Å; Y336-Q360 PolarHBondContact OH-NE2 3.34Å; A339-Q360 HydrophobicContact CB-CB 4.06Å; A339-Q360 HydrophobicContact CB-CG 4.33Å; N340-Q360 WeakPolarHBondContact OD1-CG 3.23Å; N340-Q360 PolarHBondContact OD1-NE2 3.04Å; L343-Q360 HydrophobicContact CD2-CB 4.07Å; L343-Q360 HydrophobicContact CD2-CG 4.03Å; A356-Q360 WeakPolarHBondContact O-CB 3.47Å; A356-Q360 PolarHBondContact O-N 3.1Å; E357-Q360 PolarHBondContact O-N 2.89Å; Q360-A363 PolarHBondContact O-N 3.46Å; Q360-N364 WeakPolarHBondContact O-CB 3.43Å; Q360-N364 PolarHBondContact O-N 3.49Å
361	T	98.1	Very high	97	Very high	56 Å²	56	64.6 Å²	64.6	34%	0.344	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-48.9	178.6	-58.4	0	0	0	0	110.4	E357 D358 A363 N364 E365	E357-T361 WeakPolarHBondContact O-CB 3.33Å; E357-T361 PolarHBondContact O-N 2.9Å; E357-T361 PolarHBondContact O-OG1 3.2Å; D358-T361 PolarHBondContact O-N 3.26Å; T361-A363 PolarHBondContact O-N 3.46Å; T361-N364 WeakPolarHBondContact O-CB 3.37Å; T361-N364 PolarHBondContact O-N 3.02Å; T361-E365 WeakPolarHBondContact O-CG 3.42Å; T361-E365 PolarHBondContact O-N 3.16Å
362	A	97.9	Very high	97.1	Very high	56 Å²	56	64.9 Å²	64.9	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-42.2	177.1	0	0	0	0	0	112.8	D358 N364 R366	D358-A362 WeakPolarHBondContact O-CB 3.35Å; D358-A362 PolarHBondContact O-N 3.49Å; A362-N364 VanDerWaalsContact C-N 3.35Å; A362-N364 PolarHBondContact O-N 3.02Å; A362-R366 WeakPolarHBondContact O-CB 3.3Å; A362-R366 PolarHBondContact O-N 3.44Å
363	A	97.5	Very high	97.2	Very high	17 Å²	17	61.5 Å²	61.5	14%	0.14	34%	0.337	C	S	.	.	H	α-helix	trans	-65.7	-37.4	177	0	0	0	0	0	112.3	Y336 A339 A359 Q360 T361 F367	Y336-A363 HydrophobicContact CD2-CB 4.35Å; A339-A363 HydrophobicContact CB-CB 4.11Å; A359-A363 WeakPolarHBondContact O-CB 3.49Å; A359-A363 PolarHBondContact O-N 3.26Å; Q360-A363 PolarHBondContact O-N 3.46Å; T361-A363 PolarHBondContact O-N 3.46Å; A363-F367 WeakPolarHBondContact O-CB 3.49Å; A363-F367 PolarHBondContact O-N 3.05Å
364	N	97.8	Very high	97.3	Very high	30 Å²	30	59.4 Å²	59.4	16%	0.16	32%	0.324	C	S	.	.	H	α-helix	trans	-64.8	-49	175.9	-168.5	22.3	0	0	0	111.9	Y336 Q360 T361 A362 R366 F367 K368	Y336-N364 HydrophobicContact CD2-CB 3.72Å; Y336-N364 HydrophobicContact CE2-CB 3.4Å; Y336-N364 VanDerWaalsContact CE2-CB 3.4Å; Q360-N364 WeakPolarHBondContact O-CB 3.43Å; Q360-N364 PolarHBondContact O-N 3.49Å; T361-N364 WeakPolarHBondContact O-CB 3.37Å; T361-N364 PolarHBondContact O-N 3.02Å; A362-N364 VanDerWaalsContact C-N 3.35Å; A362-N364 PolarHBondContact O-N 3.02Å; N364-R366 VanDerWaalsContact C-N 3.34Å; N364-R366 PolarHBondContact O-N 2.99Å; N364-F367 PolarHBondContact O-N 3.06Å; N364-K368 WeakPolarHBondContact O-CB 3.46Å; N364-K368 WeakPolarHBondContact O-CG 3.47Å; N364-K368 PolarHBondContact O-N 3.32Å; N364-K368 WeakPolarHBondContact OD1-CE 3.47Å
365	E	97.7	Very high	97.4	Very high	124 Å²	124	58.2 Å²	58.2	58%	0.579	32%	0.318	S	S	*	.	H	α-helix	trans	-60.1	-45.2	179.3	-73.3	176.7	174.5	0	0	111.3	T361 K368 S369	T361-E365 WeakPolarHBondContact O-CG 3.42Å; T361-E365 PolarHBondContact O-N 3.16Å; E365-K368 PolarHBondContact O-N 3.46Å; E365-S369 WeakPolarHBondContact O-CB 3.47Å; E365-S369 PolarHBondContact O-N 3.5Å
366	R	96.9	Very high	97.4	Very high	88 Å²	88	59.3 Å²	59.3	33%	0.332	32%	0.319	S	S	.	.	H	α-helix	trans	-56.6	-51.4	173.2	178.4	-167.5	176.7	78.2	6.3	111.9	D97 A362 N364 K368 S369 I370	D97-R366 IonicContact OD1-CZ 3.87Å; D97-R366 IonicContact OD1-NH1 2.61Å; D97-R366 PolarHBondContact OD1-NH1 3.24Å; D97-R366 IonicContact OD1-NH2 3.14Å; D97-R366 PolarHBondContact OD1-NH2 3.46Å; D97-R366 IonicContact OD2-CZ 3.9Å; D97-R366 IonicContact OD2-NH1 3.9Å; D97-R366 PolarHBondContact OD2-NH1 3.32Å; D97-R366 IonicContact OD2-NH2 3.65Å; A362-R366 WeakPolarHBondContact O-CB 3.3Å; A362-R366 PolarHBondContact O-N 3.44Å; N364-R366 VanDerWaalsContact C-N 3.34Å; N364-R366 PolarHBondContact O-N 2.99Å; R366-K368 VanDerWaalsContact C-N 3.33Å; R366-K368 PolarHBondContact O-N 2.71Å; R366-S369 PolarHBondContact O-N 2.76Å; R366-I370 HydrophobicContact CG-CD1 3.92Å; R366-I370 WeakPolarHBondContact O-CG1 3.29Å; R366-I370 PolarHBondContact O-N 3.36Å
367	F	96.8	Very high	97.4	Very high	28 Å²	28	59.1 Å²	59.1	12%	0.123	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-41.4	180	167.9	-111.5	0	0	0	112.1	R329 A332 L333 Y336 A363 N364 S371	R329-F367 HydrophobicContact CG-CD2 4.45Å; R329-F367 HydrophobicContact CG-CE2 4.06Å; A332-F367 HydrophobicContact CB-CB 4.3Å; A332-F367 HydrophobicContact CB-CD2 4.29Å; L333-F367 HydrophobicContact CB-CD2 3.86Å; L333-F367 HydrophobicContact CB-CE2 3.63Å; L333-F367 HydrophobicContact CB-CZ 4.28Å; L333-F367 HydrophobicContact CD1-CD2 4.46Å; L333-F367 HydrophobicContact CD1-CE1 4.06Å; L333-F367 HydrophobicContact CD1-CE2 4.01Å; L333-F367 HydrophobicContact CD1-CZ 3.78Å; L333-F367 HydrophobicContact CG-CE2 4.25Å; L333-F367 HydrophobicContact CG-CZ 4.42Å; Y336-F367 HydrophobicContact CD1-CD1 4.39Å; A363-F367 WeakPolarHBondContact O-CB 3.49Å; A363-F367 PolarHBondContact O-N 3.05Å; N364-F367 PolarHBondContact O-N 3.06Å; F367-S371 WeakPolarHBondContact CE2-OG 3.09Å; F367-S371 WeakPolarHBondContact O-CB 3.49Å; F367-S371 PolarHBondContact O-N 2.93Å; F367-S371 PolarHBondContact O-OG 2.88Å
368	K	97.1	Very high	97.4	Very high	110 Å²	110	56 Å²	56	48%	0.478	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-50.1	176.1	-74.7	177.4	177.8	179.5	0	111.9	N364 E365 R366 I370 S371 E372	N364-K368 WeakPolarHBondContact O-CB 3.46Å; N364-K368 WeakPolarHBondContact O-CG 3.47Å; N364-K368 PolarHBondContact O-N 3.32Å; N364-K368 WeakPolarHBondContact OD1-CE 3.47Å; E365-K368 PolarHBondContact O-N 3.46Å; R366-K368 VanDerWaalsContact C-N 3.33Å; R366-K368 PolarHBondContact O-N 2.71Å; K368-I370 VanDerWaalsContact C-N 3.35Å; K368-I370 PolarHBondContact O-N 3.48Å; K368-S371 WeakPolarHBondContact O-CB 3.45Å; K368-S371 PolarHBondContact O-N 3.32Å; K368-E372 WeakPolarHBondContact O-CG 3.3Å; K368-E372 PolarHBondContact O-N 3.48Å
369	S	97.2	Very high	97.4	Very high	73 Å²	73	55.8 Å²	55.8	51%	0.51	30%	0.297	S	S	.	.	H	α-helix	trans	-58.3	-45	179.2	177.5	0	0	0	0	112.3	E365 R366 S371 E372 S373	E365-S369 WeakPolarHBondContact O-CB 3.47Å; E365-S369 PolarHBondContact O-N 3.5Å; R366-S369 PolarHBondContact O-N 2.76Å; S369-S371 VanDerWaalsContact C-N 3.34Å; S369-S371 PolarHBondContact O-N 2.97Å; S369-E372 PolarHBondContact O-N 3.48Å; S369-S373 PolarHBondContact O-N 3.45Å; S369-S373 PolarHBondContact O-OG 3.17Å
370	I	97.1	Very high	97.2	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-41.6	175	-67.8	170.3	0	0	0	110.6	A100 R329 A332 R366 K368 S373 A374	A100-I370 HydrophobicContact CB-CD1 3.61Å; A100-I370 HydrophobicContact CB-CG1 3.83Å; R329-I370 HydrophobicContact CB-CG2 3.79Å; R329-I370 HydrophobicContact CG-CG2 4.08Å; A332-I370 HydrophobicContact CB-CD1 3.79Å; R366-I370 HydrophobicContact CG-CD1 3.92Å; R366-I370 WeakPolarHBondContact O-CG1 3.29Å; R366-I370 PolarHBondContact O-N 3.36Å; K368-I370 VanDerWaalsContact C-N 3.35Å; K368-I370 PolarHBondContact O-N 3.48Å; I370-S373 PolarHBondContact O-OG 2.93Å; I370-A374 WeakPolarHBondContact O-CA 3.33Å; I370-A374 WeakPolarHBondContact O-CB 3.41Å; I370-A374 PolarHBondContact O-N 3.45Å
371	S	97.5	Very high	97.1	Very high	15 Å²	15	55.3 Å²	55.3	11%	0.105	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-41.4	-179.2	-62	0	0	0	0	112.8	F224 R329 F367 K368 S369 K375	F224-S371 WeakPolarHBondContact CZ-O 3.18Å; R329-S371 PolarHBondContact NE-OG 2.9Å; F367-S371 WeakPolarHBondContact CE2-OG 3.09Å; F367-S371 WeakPolarHBondContact O-CB 3.49Å; F367-S371 PolarHBondContact O-N 2.93Å; F367-S371 PolarHBondContact O-OG 2.88Å; K368-S371 WeakPolarHBondContact O-CB 3.45Å; K368-S371 PolarHBondContact O-N 3.32Å; S369-S371 VanDerWaalsContact C-N 3.34Å; S369-S371 PolarHBondContact O-N 2.97Å; S371-K375 PolarHBondContact O-N 3.43Å; S371-K375 VanDerWaalsContact O-N 3.09Å
372	E	97	Very high	97	Very high	140 Å²	140	55.2 Å²	55.2	65%	0.654	28%	0.282	S	S	*	.	H	α-helix	trans	-64.2	-50.8	178.6	-73.3	174.9	-177.1	0	0	111.5	K368 S369 K375 L376	K368-E372 WeakPolarHBondContact O-CG 3.3Å; K368-E372 PolarHBondContact O-N 3.48Å; S369-E372 PolarHBondContact O-N 3.48Å; E372-K375 PolarHBondContact O-N 3.19Å; E372-L376 PolarHBondContact O-N 3.47Å
373	S	97.3	Very high	96.9	Very high	32 Å²	32	57.1 Å²	57.1	22%	0.224	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-41.3	176.9	48.9	0	0	0	0	112.3	G101 S369 I370 K375 L376 E377	G101-S373 WeakPolarHBondContact CA-OG 3.49Å; G101-S373 CarbonylContact O-C 3.6Å; G101-S373 VanDerWaalsContact O-C 3.32Å; S369-S373 PolarHBondContact O-N 3.45Å; S369-S373 PolarHBondContact O-OG 3.17Å; I370-S373 PolarHBondContact O-OG 2.93Å; S373-K375 VanDerWaalsContact C-N 3.31Å; S373-K375 PolarHBondContact O-N 3.46Å; S373-L376 PolarHBondContact O-N 3.12Å; S373-E377 WeakPolarHBondContact O-CB 3.28Å; S373-E377 PolarHBondContact O-N 2.96Å
374	A	97.7	Very high	96.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-41.1	177.9	0	0	0	0	0	112.8	G101 F224 L325 I370 E377 L378	G101-A374 WeakPolarHBondContact O-CA 3.42Å; G101-A374 PolarHBondContact O-N 2.83Å; F224-A374 HydrophobicContact CE1-CB 3.93Å; F224-A374 HydrophobicContact CZ-CB 4.14Å; L325-A374 HydrophobicContact CD1-CB 4.28Å; L325-A374 HydrophobicContact CD2-CB 3.5Å; L325-A374 VanDerWaalsContact CD2-CB 3.5Å; L325-A374 HydrophobicContact CG-CB 4.13Å; I370-A374 WeakPolarHBondContact O-CA 3.33Å; I370-A374 WeakPolarHBondContact O-CB 3.41Å; I370-A374 PolarHBondContact O-N 3.45Å; A374-E377 PolarHBondContact O-N 3.28Å; A374-L378 VanDerWaalsContact O-CB 3.31Å; A374-L378 WeakPolarHBondContact O-CB 3.39Å; A374-L378 VanDerWaalsContact O-CD1 3.29Å; A374-L378 WeakPolarHBondContact O-CD1 3.33Å; A374-L378 WeakPolarHBondContact O-CG 3.3Å; A374-L378 PolarHBondContact O-N 3.35Å
375	K	97.5	Very high	96.6	Very high	92 Å²	92	58.6 Å²	58.6	40%	0.4	29%	0.288	S	S	.	.	H	α-helix	trans	-62.2	-48.3	179.8	-175.1	171.8	-176.3	-179.6	0	111.4	F223 F224 S371 E372 S373 E377 L378 E379	F223-K375 HydrophobicContact CD1-CD 4.49Å; F223-K375 HydrophobicContact CD1-CG 4.24Å; F223-K375 HydrophobicContact CE1-CB 4.15Å; F223-K375 HydrophobicContact CE1-CD 4.5Å; F223-K375 HydrophobicContact CE1-CG 3.78Å; F223-K375 HydrophobicContact CE2-CG 4.24Å; F223-K375 HydrophobicContact CZ-CB 4.49Å; F223-K375 HydrophobicContact CZ-CG 3.78Å; F224-K375 HydrophobicContact CZ-CB 4.29Å; S371-K375 PolarHBondContact O-N 3.43Å; S371-K375 VanDerWaalsContact O-N 3.09Å; E372-K375 PolarHBondContact O-N 3.19Å; S373-K375 VanDerWaalsContact C-N 3.31Å; S373-K375 PolarHBondContact O-N 3.46Å; K375-E377 VanDerWaalsContact C-N 3.34Å; K375-E377 PolarHBondContact O-N 3.22Å; K375-L378 PolarHBondContact O-N 3.19Å; K375-E379 WeakPolarHBondContact O-CG 3.38Å; K375-E379 PolarHBondContact O-N 3.33Å; K375-E379 VanDerWaalsContact O-N 3.08Å
376	L	96.7	Very high	96.5	Very high	121 Å²	121	57.7 Å²	57.7	63%	0.634	29%	0.286	S	S	*	.	H	α-helix	trans	-61.3	-44.3	178.1	-64.8	174.5	0	0	0	111.5	E372 S373 E379 D380	E372-L376 PolarHBondContact O-N 3.47Å; S373-L376 PolarHBondContact O-N 3.12Å; L376-E379 PolarHBondContact O-N 3.26Å; L376-D380 PolarHBondContact O-N 3.32Å
377	E	97.4	Very high	96.3	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.065	30%	0.301	C	S	.	.	H	α-helix	trans	-70	-36.1	-177	-168.9	64.9	-155.7	0	0	112.5	I103 H167 L325 S373 A374 K375 D380 F381 R384	I103-E377 HydrophobicContact CB-CG 3.68Å; I103-E377 HydrophobicContact CD1-CG 3.78Å; I103-E377 HydrophobicContact CG1-CB 4.5Å; I103-E377 HydrophobicContact CG1-CG 3.46Å; I103-E377 VanDerWaalsContact CG1-CG 3.46Å; H167-E377 IonicContact CD2-OE2 3.94Å; H167-E377 IonicContact NE2-OE2 3.43Å; H167-E377 PolarHBondContact NE2-OE2 3.46Å; L325-E377 HydrophobicContact CD1-CB 4.17Å; L325-E377 HydrophobicContact CD1-CG 4.19Å; S373-E377 WeakPolarHBondContact O-CB 3.28Å; S373-E377 PolarHBondContact O-N 2.96Å; A374-E377 PolarHBondContact O-N 3.28Å; K375-E377 VanDerWaalsContact C-N 3.34Å; K375-E377 PolarHBondContact O-N 3.22Å; E377-D380 PolarHBondContact O-N 2.7Å; E377-F381 VanDerWaalsContact O-CB 3.27Å; E377-F381 WeakPolarHBondContact O-CB 3.32Å; E377-F381 PolarHBondContact O-N 3.4Å; E377-R384 IonicContact OE1-NH2 3.42Å; E377-R384 PolarHBondContact OE1-NH2 3.08Å
378	L	97.4	Very high	96	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.4	-36.6	174.9	-72	163.5	0	0	0	111.8	I103 F223 F224 E227 L231 A322 L325 L326 A374 K375 K382	I103-L378 HydrophobicContact CD1-CD2 4.4Å; F223-L378 HydrophobicContact CE1-CD1 4.27Å; F223-L378 HydrophobicContact CZ-CB 4.44Å; F224-L378 HydrophobicContact CD1-CD1 4.42Å; F224-L378 HydrophobicContact CE1-CD1 4.02Å; E227-L378 HydrophobicContact CG-CD1 4.06Å; E227-L378 HydrophobicContact CG-CD2 4.31Å; L231-L378 HydrophobicContact CD1-CD2 3.62Å; A322-L378 HydrophobicContact CB-CD2 4.36Å; L325-L378 HydrophobicContact CD2-CD1 3.82Å; L325-L378 HydrophobicContact CD2-CD2 4.35Å; L325-L378 HydrophobicContact CD2-CG 4.07Å; L326-L378 HydrophobicContact CD2-CD1 3.8Å; A374-L378 VanDerWaalsContact O-CB 3.31Å; A374-L378 WeakPolarHBondContact O-CB 3.39Å; A374-L378 VanDerWaalsContact O-CD1 3.29Å; A374-L378 WeakPolarHBondContact O-CD1 3.33Å; A374-L378 WeakPolarHBondContact O-CG 3.3Å; A374-L378 PolarHBondContact O-N 3.35Å; K375-L378 PolarHBondContact O-N 3.19Å; L378-K382 WeakPolarHBondContact O-CG 3.5Å; L378-K382 PolarHBondContact O-N 3.13Å
379	E	96.4	Very high	95.9	Very high	84 Å²	84	56.1 Å²	56.1	39%	0.393	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-46.9	172.9	-74	175.1	-178.7	0	0	111.4	K375 L376 F381 K382 V383	K375-E379 WeakPolarHBondContact O-CG 3.38Å; K375-E379 PolarHBondContact O-N 3.33Å; K375-E379 VanDerWaalsContact O-N 3.08Å; L376-E379 PolarHBondContact O-N 3.26Å; E379-F381 PolarHBondContact O-N 3.02Å; E379-K382 WeakPolarHBondContact O-CB 3.31Å; E379-K382 PolarHBondContact O-N 3.1Å; E379-V383 PolarHBondContact O-N 3.05Å
380	D	95.2	Very high	95.9	Very high	73 Å²	73	58.7 Å²	58.7	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-40.7	176.4	-178	73.3	0	0	0	112	L376 E377 K382 V383 R384	L376-D380 PolarHBondContact O-N 3.32Å; E377-D380 PolarHBondContact O-N 2.7Å; D380-K382 VanDerWaalsContact C-N 3.29Å; D380-K382 PolarHBondContact O-N 3.08Å; D380-V383 PolarHBondContact O-N 2.93Å; D380-V383 VanDerWaalsContact O-N 3.12Å; D380-R384 WeakPolarHBondContact O-CB 3.35Å; D380-R384 PolarHBondContact O-N 3.09Å; D380-R384 IonicContact OD2-CZ 2.72Å; D380-R384 IonicContact OD2-NE 3.53Å; D380-R384 PolarHBondContact OD2-NE 3.04Å; D380-R384 IonicContact OD2-NH2 2.66Å; D380-R384 PolarHBondContact OD2-NH2 2.94Å
381	F	95.8	Very high	95.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-53.7	-45.1	173.5	170.3	-100.3	0	0	0	112	I103 L231 Y234 Y315 D318 A322 E377 E379 V383 R384 R385	I103-F381 HydrophobicContact CD1-CB 3.75Å; I103-F381 HydrophobicContact CD1-CD2 4.21Å; I103-F381 HydrophobicContact CD1-CG 4.06Å; L231-F381 HydrophobicContact CD2-CD1 4.43Å; L231-F381 HydrophobicContact CD2-CE1 3.79Å; Y234-F381 HydrophobicContact CE1-CE1 4.48Å; Y234-F381 HydrophobicContact CE1-CZ 4.24Å; Y315-F381 HydrophobicContact CD1-CE2 4.29Å; Y315-F381 HydrophobicContact CD1-CZ 4.43Å; Y315-F381 HydrophobicContact CE1-CE2 4.23Å; D318-F381 HydrophobicContact CB-CE2 4.31Å; D318-F381 WeakPolarHBondContact OD2-CE2 3.38Å; A322-F381 HydrophobicContact CB-CD1 4.45Å; A322-F381 HydrophobicContact CB-CE1 4.33Å; A322-F381 HydrophobicContact CB-CE2 4.41Å; A322-F381 HydrophobicContact CB-CZ 4.3Å; E377-F381 VanDerWaalsContact O-CB 3.27Å; E377-F381 WeakPolarHBondContact O-CB 3.32Å; E377-F381 PolarHBondContact O-N 3.4Å; E379-F381 PolarHBondContact O-N 3.02Å; F381-V383 PolarHBondContact O-N 2.87Å; F381-R384 PolarHBondContact O-N 3.28Å; F381-R385 WeakPolarHBondContact O-CB 3.49Å; F381-R385 PolarHBondContact O-N 2.91Å
382	K	95.3	Very high	95.7	Very high	55 Å²	55	61.8 Å²	61.8	24%	0.239	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-45.1	177.1	-71	170.3	-174.6	176.8	0	111.6	E227 L378 E379 D380 R385 I386	E227-K382 WeakPolarHBondContact OE1-CE 3.29Å; E227-K382 IonicContact OE1-NZ 2.75Å; E227-K382 WeakPolarHBondContact OE2-CE 3.46Å; E227-K382 IonicContact OE2-NZ 2.91Å; E227-K382 PolarHBondContact OE2-NZ 3.37Å; L378-K382 WeakPolarHBondContact O-CG 3.5Å; L378-K382 PolarHBondContact O-N 3.13Å; E379-K382 WeakPolarHBondContact O-CB 3.31Å; E379-K382 PolarHBondContact O-N 3.1Å; D380-K382 VanDerWaalsContact C-N 3.29Å; D380-K382 PolarHBondContact O-N 3.08Å; K382-R385 PolarHBondContact O-N 3.23Å; K382-I386 VanDerWaalsContact O-CG1 3.28Å; K382-I386 WeakPolarHBondContact O-CG1 3.44Å; K382-I386 PolarHBondContact O-N 3.07Å
383	V	95.6	Very high	95.7	Very high	96 Å²	96	59 Å²	59	58%	0.582	29%	0.285	S	S	*	.	H	α-helix	trans	-64.6	-49.6	179.8	175.5	0	0	0	0	110.6	E379 D380 F381 R385 I386 K387	E379-V383 PolarHBondContact O-N 3.05Å; D380-V383 PolarHBondContact O-N 2.93Å; D380-V383 VanDerWaalsContact O-N 3.12Å; F381-V383 PolarHBondContact O-N 2.87Å; V383-R385 VanDerWaalsContact C-N 3.33Å; V383-R385 PolarHBondContact O-N 2.87Å; V383-I386 PolarHBondContact O-N 3.22Å; V383-K387 WeakPolarHBondContact O-CB 3.38Å; V383-K387 PolarHBondContact O-N 2.88Å
384	R	93.5	Very high	95.7	Very high	38 Å²	38	60.3 Å²	60.3	14%	0.143	29%	0.292	C	S	.	.	H	α-helix	trans	-53.7	-51.2	175.9	-113.5	-176.8	-60.3	-173.6	7.5	111.2	Y315 E377 D380 F381 K387 Y388	Y315-R384 PolarHBondContact OH-O 3.42Å; E377-R384 IonicContact OE1-NH2 3.42Å; E377-R384 PolarHBondContact OE1-NH2 3.08Å; D380-R384 WeakPolarHBondContact O-CB 3.35Å; D380-R384 PolarHBondContact O-N 3.09Å; D380-R384 IonicContact OD2-CZ 2.72Å; D380-R384 IonicContact OD2-NE 3.53Å; D380-R384 PolarHBondContact OD2-NE 3.04Å; D380-R384 IonicContact OD2-NH2 2.66Å; D380-R384 PolarHBondContact OD2-NH2 2.94Å; F381-R384 PolarHBondContact O-N 3.28Å; R384-K387 PolarHBondContact O-N 3.42Å; R384-Y388 VanDerWaalsContact O-CB 3.31Å; R384-Y388 WeakPolarHBondContact O-CB 3.42Å; R384-Y388 PolarHBondContact O-N 3.49Å
385	R	94.6	Very high	95.6	Very high	39 Å²	39	62.2 Å²	62.2	15%	0.147	30%	0.302	C	S	.	.	H	α-helix	trans	-53.3	-57.8	177.9	179.6	-173.3	63.6	179	1.7	111.5	Y234 Y315 F381 K382 V383 K387 Y388 F389	Y234-R385 VanDerWaalsContact CE1-CD 3.49Å; Y234-R385 VanDerWaalsContact OH-CD 3.22Å; Y234-R385 WeakPolarHBondContact OH-CD 3.5Å; Y315-R385 HydrophobicContact CD1-CB 4.13Å; Y315-R385 HydrophobicContact CD1-CG 3.8Å; Y315-R385 HydrophobicContact CE1-CB 3.49Å; Y315-R385 VanDerWaalsContact CE1-CB 3.49Å; Y315-R385 HydrophobicContact CE1-CG 3.66Å; Y315-R385 WeakPolarHBondContact OH-CA 3.27Å; Y315-R385 PolarHBondContact OH-N 2.93Å; F381-R385 WeakPolarHBondContact O-CB 3.49Å; F381-R385 PolarHBondContact O-N 2.91Å; K382-R385 PolarHBondContact O-N 3.23Å; V383-R385 VanDerWaalsContact C-N 3.33Å; V383-R385 PolarHBondContact O-N 2.87Å; R385-K387 VanDerWaalsContact C-N 3.35Å; R385-K387 PolarHBondContact O-N 3.05Å; R385-Y388 PolarHBondContact O-N 3.01Å; R385-F389 HydrophobicContact CG-CD2 3.61Å; R385-F389 HydrophobicContact CG-CE2 3.7Å; R385-F389 VanDerWaalsContact O-CD2 3.29Å; R385-F389 WeakPolarHBondContact O-CD2 3.5Å; R385-F389 PolarHBondContact O-N 3.2Å
386	I	95.6	Very high	95.6	Very high	106 Å²	106	58.8 Å²	58.8	54%	0.544	29%	0.288	S	S	.	.	H	α-helix	trans	-59.8	-47.3	-175.8	-68.7	166.3	0	0	0	110.7	K382 V383 Y388 F389 H390	K382-I386 VanDerWaalsContact O-CG1 3.28Å; K382-I386 WeakPolarHBondContact O-CG1 3.44Å; K382-I386 PolarHBondContact O-N 3.07Å; V383-I386 PolarHBondContact O-N 3.22Å; I386-Y388 VanDerWaalsContact C-N 3.26Å; I386-Y388 PolarHBondContact O-N 3.13Å; I386-F389 PolarHBondContact O-N 2.71Å; I386-H390 WeakPolarHBondContact O-CB 3.29Å; I386-H390 PolarHBondContact O-N 3.2Å
387	K	94.5	Very high	95.6	Very high	149 Å²	149	55.7 Å²	55.7	65%	0.648	28%	0.28	S	S	*	.	H	α-helix	trans	-56.6	-43	179.5	-178.9	179.4	179.7	-179.4	0	111.8	V383 R384 R385 K391	V383-K387 WeakPolarHBondContact O-CB 3.38Å; V383-K387 PolarHBondContact O-N 2.88Å; R384-K387 PolarHBondContact O-N 3.42Å; R385-K387 VanDerWaalsContact C-N 3.35Å; R385-K387 PolarHBondContact O-N 3.05Å; K387-K391 PolarHBondContact O-N 2.73Å; K387-K391 VanDerWaalsContact O-N 3.11Å
388	Y	90.5	Very high	95.7	Very high	12 Å²	12	61.1 Å²	61.1	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-74.6	-46.4	-176.2	-179.3	-100	0	0	0	113.1	S23 F24 P25 T311 Y315 R384 R385 I386 H390 K391 N392	S23-Y388 WeakPolarHBondContact O-CE2 3.25Å; S23-Y388 PolarHBondContact O-OH 3.43Å; F24-Y388 WeakPolarHBondContact CA-OH 3.34Å; F24-Y388 PolarHBondContact N-OH 3.39Å; P25-Y388 VanDerWaalsContact CA-CD2 3.42Å; P25-Y388 HydrophobicContact CB-CD2 3.68Å; P25-Y388 HydrophobicContact CB-CE2 3.83Å; P25-Y388 HydrophobicContact CB-CG 4.34Å; P25-Y388 VanDerWaalsContact CD-CE2 3.46Å; P25-Y388 VanDerWaalsContact CD-CZ 3.45Å; P25-Y388 HydrophobicContact CG-CD1 4.38Å; P25-Y388 HydrophobicContact CG-CD2 3.65Å; P25-Y388 HydrophobicContact CG-CE1 4.15Å; P25-Y388 HydrophobicContact CG-CE2 3.55Å; P25-Y388 HydrophobicContact CG-CG 4.02Å; T311-Y388 HydrophobicContact CG2-CD1 3.92Å; T311-Y388 HydrophobicContact CG2-CE1 3.63Å; Y315-Y388 AromaticContact CD2-CD1 3.87Å; Y315-Y388 HydrophobicContact CD2-CD1 3.87Å; Y315-Y388 HydrophobicContact CD2-CE1 4.01Å; Y315-Y388 AromaticContact CE2-CD1 3.12Å; Y315-Y388 HydrophobicContact CE2-CD1 3.12Å; Y315-Y388 AromaticContact CE2-CE1 3.54Å; Y315-Y388 HydrophobicContact CE2-CE1 3.54Å; Y315-Y388 AromaticContact CE2-CG 3.89Å; Y315-Y388 HydrophobicContact CE2-CG 3.89Å; R384-Y388 VanDerWaalsContact O-CB 3.31Å; R384-Y388 WeakPolarHBondContact O-CB 3.42Å; R384-Y388 PolarHBondContact O-N 3.49Å; R385-Y388 PolarHBondContact O-N 3.01Å; I386-Y388 VanDerWaalsContact C-N 3.26Å; I386-Y388 PolarHBondContact O-N 3.13Å; Y388-H390 VanDerWaalsContact C-N 3.28Å; Y388-H390 PolarHBondContact O-N 2.76Å; Y388-K391 PolarHBondContact O-N 3.42Å; Y388-N392 VanDerWaalsContact CE1-ND2 3.3Å; Y388-N392 WeakPolarHBondContact CE1-ND2 3.5Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.44Å; Y388-N392 PolarHBondContact O-N 2.96Å; Y388-N392 PolarHBondContact OH-ND2 3Å; Y388-N392 VanDerWaalsContact OH-ND2 3.14Å
389	F	95.2	Very high	95.6	Very high	31 Å²	31	62.9 Å²	62.9	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-55.7	-46.6	172.2	-89.5	-76.4	0	0	0	111.2	Y234 I238 T311 F312 Y315 R385 I386 K391 N392 L393	Y234-F389 VanDerWaalsContact OH-CE2 3.23Å; Y234-F389 WeakPolarHBondContact OH-CE2 3.41Å; I238-F389 HydrophobicContact CD1-CE1 4.29Å; I238-F389 HydrophobicContact CD1-CZ 3.73Å; T311-F389 HydrophobicContact CG2-CD1 3.65Å; T311-F389 HydrophobicContact CG2-CE1 3.48Å; T311-F389 VanDerWaalsContact CG2-CE1 3.48Å; T311-F389 HydrophobicContact CG2-CG 4.27Å; T311-F389 HydrophobicContact CG2-CZ 3.96Å; F312-F389 AromaticContact CD1-CE1 3.68Å; F312-F389 HydrophobicContact CD1-CE1 3.68Å; F312-F389 HydrophobicContact CD1-CZ 4.24Å; F312-F389 AromaticContact CE1-CE1 3.7Å; F312-F389 HydrophobicContact CE1-CE1 3.7Å; Y315-F389 HydrophobicContact CD1-CE2 4.07Å; Y315-F389 HydrophobicContact CD2-CD2 4.22Å; Y315-F389 AromaticContact CD2-CE2 3.5Å; Y315-F389 HydrophobicContact CD2-CE2 3.5Å; Y315-F389 VanDerWaalsContact CD2-CE2 3.5Å; Y315-F389 AromaticContact CD2-CZ 3.95Å; Y315-F389 HydrophobicContact CD2-CZ 3.95Å; Y315-F389 HydrophobicContact CE2-CD2 4.48Å; Y315-F389 HydrophobicContact CE2-CE2 4.17Å; Y315-F389 HydrophobicContact CG-CD2 4.45Å; Y315-F389 AromaticContact CG-CE2 3.47Å; Y315-F389 HydrophobicContact CG-CE2 3.47Å; Y315-F389 VanDerWaalsContact CG-CE2 3.47Å; Y315-F389 AromaticContact CG-CZ 3.98Å; Y315-F389 HydrophobicContact CG-CZ 3.98Å; R385-F389 HydrophobicContact CG-CD2 3.61Å; R385-F389 HydrophobicContact CG-CE2 3.7Å; R385-F389 VanDerWaalsContact O-CD2 3.29Å; R385-F389 WeakPolarHBondContact O-CD2 3.5Å; R385-F389 PolarHBondContact O-N 3.2Å; I386-F389 PolarHBondContact O-N 2.71Å; F389-K391 PolarHBondContact O-N 3.34Å; F389-N392 PolarHBondContact O-N 3.03Å; F389-L393 VanDerWaalsContact O-CB 3.31Å; F389-L393 WeakPolarHBondContact O-CB 3.37Å; F389-L393 WeakPolarHBondContact O-CG 3.48Å; F389-L393 PolarHBondContact O-N 3.33Å
390	H	96.5	Very high	95.6	Very high	127 Å²	127	62 Å²	62	59%	0.588	31%	0.31	S	S	*	.	H	α-helix	trans	-55.6	-52.1	177.9	177.1	-88.6	0	0	0	111.5	I386 Y388 N392 L393 V394	I386-H390 WeakPolarHBondContact O-CB 3.29Å; I386-H390 PolarHBondContact O-N 3.2Å; Y388-H390 VanDerWaalsContact C-N 3.28Å; Y388-H390 PolarHBondContact O-N 2.76Å; H390-N392 PolarHBondContact O-N 3.09Å; H390-L393 PolarHBondContact O-N 3.07Å; H390-V394 VanDerWaalsContact O-CG2 3.27Å; H390-V394 WeakPolarHBondContact O-CG2 3.4Å; H390-V394 PolarHBondContact O-N 2.91Å
391	K	95.5	Very high	95.7	Very high	87 Å²	87	62.2 Å²	62.2	38%	0.378	31%	0.314	S	S	.	.	H	α-helix	trans	-56.7	-51.8	178.6	177.2	174.4	174.5	170.8	0	111.9	K387 Y388 F389 L393 V394 D395	K387-K391 PolarHBondContact O-N 2.73Å; K387-K391 VanDerWaalsContact O-N 3.11Å; Y388-K391 PolarHBondContact O-N 3.42Å; F389-K391 PolarHBondContact O-N 3.34Å; K391-L393 PolarHBondContact O-N 2.9Å; K391-V394 PolarHBondContact O-N 2.95Å; K391-D395 PolarHBondContact O-N 3.49Å
392	N	94.5	Very high	95.8	Very high	1 Å²	1	68 Å²	68	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-71.1	-31.7	-174.4	-80.1	-25.3	0	0	0	113.7	S23 T311 Y388 F389 H390 L396	S23-N392 PolarHBondContact O-ND2 3.19Å; S23-N392 PolarHBondContact O-OD1 2.88Å; T311-N392 HydrophobicContact CG2-CB 4.47Å; T311-N392 WeakPolarHBondContact OG1-CB 3.45Å; T311-N392 PolarHBondContact OG1-ND2 3.33Å; Y388-N392 VanDerWaalsContact CE1-ND2 3.3Å; Y388-N392 WeakPolarHBondContact CE1-ND2 3.5Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.44Å; Y388-N392 PolarHBondContact O-N 2.96Å; Y388-N392 PolarHBondContact OH-ND2 3Å; Y388-N392 VanDerWaalsContact OH-ND2 3.14Å; F389-N392 PolarHBondContact O-N 3.03Å; H390-N392 PolarHBondContact O-N 3.09Å; N392-L396 WeakPolarHBondContact O-CB 3.46Å; N392-L396 PolarHBondContact O-N 3.48Å
393	L	96.4	Very high	95.9	Very high	81 Å²	81	65.4 Å²	65.4	42%	0.424	33%	0.328	S	S	.	.	H	α-helix	trans	-71.7	-34.9	175.1	-68.4	175.7	0	0	0	112.1	L308 F389 H390 K391 L396 A397	L308-L393 HydrophobicContact CD1-CD2 3.97Å; F389-L393 VanDerWaalsContact O-CB 3.31Å; F389-L393 WeakPolarHBondContact O-CB 3.37Å; F389-L393 WeakPolarHBondContact O-CG 3.48Å; F389-L393 PolarHBondContact O-N 3.33Å; H390-L393 PolarHBondContact O-N 3.07Å; K391-L393 PolarHBondContact O-N 2.9Å; L393-L396 HydrophobicContact CD2-CD2 4.38Å; L393-A397 WeakPolarHBondContact O-CB 3.35Å; L393-A397 PolarHBondContact O-N 3.26Å
394	V	98	Very high	95.9	Very high	60 Å²	60	63 Å²	63	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-52.6	171.2	170.1	0	0	0	0	110.2	H390 K391 L396 A397 E398	H390-V394 VanDerWaalsContact O-CG2 3.27Å; H390-V394 WeakPolarHBondContact O-CG2 3.4Å; H390-V394 PolarHBondContact O-N 2.91Å; K391-V394 PolarHBondContact O-N 2.95Å; V394-L396 VanDerWaalsContact C-N 3.25Å; V394-L396 PolarHBondContact O-N 3.25Å; V394-A397 PolarHBondContact O-N 2.95Å; V394-A397 VanDerWaalsContact O-N 3.11Å; V394-E398 WeakPolarHBondContact O-CG 3.3Å; V394-E398 PolarHBondContact O-N 2.81Å
395	D	96.6	Very high	96.2	Very high	41 Å²	41	67.6 Å²	67.6	22%	0.219	34%	0.339	C	S	.	.	H	α-helix	trans	-55.7	-42.8	177.5	-71.8	1.1	0	0	0	111.3	K307 K391 E398 L399	K307-D395 HydrophobicContact CD-CB 3.95Å; K307-D395 HydrophobicContact CG-CB 4.46Å; K307-D395 IonicContact NZ-OD2 3.49Å; K307-D395 PolarHBondContact NZ-OD2 3.26Å; K391-D395 PolarHBondContact O-N 3.49Å; D395-E398 PolarHBondContact O-N 3.38Å; D395-L399 VanDerWaalsContact O-CG 3.27Å; D395-L399 WeakPolarHBondContact O-CG 3.35Å; D395-L399 PolarHBondContact O-N 2.96Å
396	L	95.9	Very high	96.3	Very high	20 Å²	20	67.6 Å²	67.6	11%	0.105	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-49.1	176.9	175.5	61.2	0	0	0	111.5	E304 K307 L308 N392 L393 V394 E398 L399 E400	E304-L396 HydrophobicContact CG-CD1 3.85Å; K307-L396 HydrophobicContact CB-CB 3.94Å; K307-L396 HydrophobicContact CB-CD1 4.29Å; L308-L396 HydrophobicContact CB-CD2 3.99Å; L308-L396 HydrophobicContact CD1-CD2 3.99Å; L308-L396 HydrophobicContact CD2-CD2 4.38Å; L308-L396 HydrophobicContact CG-CD2 4.35Å; N392-L396 WeakPolarHBondContact O-CB 3.46Å; N392-L396 PolarHBondContact O-N 3.48Å; L393-L396 HydrophobicContact CD2-CD2 4.38Å; V394-L396 VanDerWaalsContact C-N 3.25Å; V394-L396 PolarHBondContact O-N 3.25Å; L396-E398 VanDerWaalsContact C-N 3.28Å; L396-E398 PolarHBondContact O-N 3.09Å; L396-L399 PolarHBondContact O-N 2.75Å; L396-L399 VanDerWaalsContact O-N 3.14Å; L396-E400 HydrophobicContact CD1-CG 4.19Å; L396-E400 HydrophobicContact CG-CG 4.4Å; L396-E400 WeakPolarHBondContact O-CG 3.46Å; L396-E400 PolarHBondContact O-N 2.97Å
397	A	98	Very high	96.4	Very high	55 Å²	55	64.7 Å²	64.7	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-39.1	179.7	0	0	0	0	0	112.1	L393 V394 E400 V401	L393-A397 WeakPolarHBondContact O-CB 3.35Å; L393-A397 PolarHBondContact O-N 3.26Å; V394-A397 PolarHBondContact O-N 2.95Å; V394-A397 VanDerWaalsContact O-N 3.11Å; A397-E400 PolarHBondContact O-N 3.34Å; A397-V401 WeakPolarHBondContact O-CG2 3.29Å; A397-V401 PolarHBondContact O-N 2.93Å; A397-V401 VanDerWaalsContact O-N 3.08Å
398	E	98.2	Very high	96.6	Very high	129 Å²	129	61.6 Å²	61.6	60%	0.603	32%	0.319	S	S	*	.	H	α-helix	trans	-64	-41.1	175.3	-69	-178.4	168.3	0	0	112.2	V394 D395 L396 V401 K402	V394-E398 WeakPolarHBondContact O-CG 3.3Å; V394-E398 PolarHBondContact O-N 2.81Å; D395-E398 PolarHBondContact O-N 3.38Å; L396-E398 VanDerWaalsContact C-N 3.28Å; L396-E398 PolarHBondContact O-N 3.09Å; E398-V401 PolarHBondContact O-N 3.41Å; E398-K402 PolarHBondContact O-N 2.93Å; E398-K402 VanDerWaalsContact O-N 3.09Å
399	L	96.5	Very high	96.9	Very high	36 Å²	36	66.2 Å²	66.2	19%	0.188	34%	0.341	C	S	.	.	H	α-helix	trans	-66.6	-43.3	176.3	-69.3	166.9	0	0	0	111.6	D303 K307 D395 L396 V401 K402 H403	D303-L399 HydrophobicContact CB-CB 4.5Å; D303-L399 HydrophobicContact CB-CD1 3.96Å; K307-L399 HydrophobicContact CG-CD1 3.96Å; D395-L399 VanDerWaalsContact O-CG 3.27Å; D395-L399 WeakPolarHBondContact O-CG 3.35Å; D395-L399 PolarHBondContact O-N 2.96Å; L396-L399 PolarHBondContact O-N 2.75Å; L396-L399 VanDerWaalsContact O-N 3.14Å; L399-V401 VanDerWaalsContact C-N 3.34Å; L399-V401 PolarHBondContact O-N 3.03Å; L399-K402 WeakPolarHBondContact O-CB 3.27Å; L399-K402 PolarHBondContact O-N 3.3Å; L399-K402 VanDerWaalsContact O-N 3.1Å; L399-H403 PolarHBondContact O-CD2 2.7Å; L399-H403 PolarHBondContact O-N 3.35Å
400	E	96	Very high	97.1	Very high	65 Å²	65	66 Å²	66	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-56.4	-47	175	-73.6	-66.3	170.1	0	0	111.6	L300 E304 L396 A397 K402 H403 A404	L300-E400 WeakPolarHBondContact CD1-OE1 3.45Å; L300-E400 WeakPolarHBondContact CD1-OE2 3.42Å; E304-E400 WeakPolarHBondContact CG-OE1 3.4Å; L396-E400 HydrophobicContact CD1-CG 4.19Å; L396-E400 HydrophobicContact CG-CG 4.4Å; L396-E400 WeakPolarHBondContact O-CG 3.46Å; L396-E400 PolarHBondContact O-N 2.97Å; A397-E400 PolarHBondContact O-N 3.34Å; E400-K402 VanDerWaalsContact C-N 3.31Å; E400-K402 PolarHBondContact O-N 2.92Å; E400-H403 PolarHBondContact O-N 3.44Å; E400-A404 WeakPolarHBondContact O-CB 3.38Å; E400-A404 PolarHBondContact O-N 3.17Å
401	V	98.2	Very high	97.1	Very high	78 Å²	78	63.8 Å²	63.8	47%	0.473	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-42.3	175.8	170.2	0	0	0	0	111.2	A397 E398 L399 K405	A397-V401 WeakPolarHBondContact O-CG2 3.29Å; A397-V401 PolarHBondContact O-N 2.93Å; A397-V401 VanDerWaalsContact O-N 3.08Å; E398-V401 PolarHBondContact O-N 3.41Å; L399-V401 VanDerWaalsContact C-N 3.34Å; L399-V401 PolarHBondContact O-N 3.03Å; V401-K405 HydrophobicContact CG1-CD 4.22Å; V401-K405 VanDerWaalsContact O-CG 3.32Å; V401-K405 WeakPolarHBondContact O-CG 3.29Å; V401-K405 PolarHBondContact O-N 2.88Å
402	K	97.8	Very high	97.3	Very high	121 Å²	121	64.8 Å²	64.8	53%	0.526	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-42.6	178.4	-177.4	-177.5	178	-178.5	0	112.1	E398 L399 E400 S406	E398-K402 PolarHBondContact O-N 2.93Å; E398-K402 VanDerWaalsContact O-N 3.09Å; L399-K402 WeakPolarHBondContact O-CB 3.27Å; L399-K402 PolarHBondContact O-N 3.3Å; L399-K402 VanDerWaalsContact O-N 3.1Å; E400-K402 VanDerWaalsContact C-N 3.31Å; E400-K402 PolarHBondContact O-N 2.92Å; K402-S406 PolarHBondContact O-N 3.44Å; K402-S406 VanDerWaalsContact O-N 3.13Å; K402-S406 PolarHBondContact O-OG 3.07Å
403	H	95.7	Very high	97.4	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-68.4	-44.5	178.1	-64	-43.5	0	0	0	111.4	R299 L300 D303 L399 E400 K405 S406 Q407	R299-H403 PolarHBondContact NE-CE1 2.81Å; R299-H403 VanDerWaalsContact NE-CE1 3.26Å; R299-H403 PolarHBondContact NE-ND1 3.11Å; L300-H403 HydrophobicContact CB-CB 4.46Å; L300-H403 HydrophobicContact CD1-CB 4.12Å; L300-H403 VanDerWaalsContact CD1-CD2 3.47Å; L300-H403 WeakPolarHBondContact CD1-CD2 3.3Å; D303-H403 IonicContact OD2-CE1 3.82Å; D303-H403 PolarHBondContact OD2-CE1 2.82Å; D303-H403 IonicContact OD2-NE2 2.81Å; D303-H403 PolarHBondContact OD2-NE2 3.04Å; L399-H403 PolarHBondContact O-CD2 2.7Å; L399-H403 PolarHBondContact O-N 3.35Å; E400-H403 PolarHBondContact O-N 3.44Å; H403-K405 VanDerWaalsContact C-N 3.35Å; H403-K405 PolarHBondContact O-N 2.86Å; H403-S406 WeakPolarHBondContact O-CB 3.43Å; H403-S406 PolarHBondContact O-N 3.17Å; H403-S406 VanDerWaalsContact O-N 3.08Å; H403-Q407 WeakPolarHBondContact O-CG 3.4Å; H403-Q407 PolarHBondContact O-N 3.22Å
404	A	97.4	Very high	97.4	Very high	45 Å²	45	64.5 Å²	64.5	37%	0.372	34%	0.342	S	S	.	.	H	α-helix	trans	-57.7	-45.2	176.2	0	0	0	0	0	112	E400 S406 Q407 I408	E400-A404 WeakPolarHBondContact O-CB 3.38Å; E400-A404 PolarHBondContact O-N 3.17Å; A404-S406 VanDerWaalsContact C-N 3.33Å; A404-S406 PolarHBondContact O-N 3.25Å; A404-Q407 PolarHBondContact O-N 3.39Å; A404-I408 VanDerWaalsContact O-CG1 3.3Å; A404-I408 WeakPolarHBondContact O-CG1 3.21Å; A404-I408 PolarHBondContact O-N 2.93Å
405	K	98.3	Very high	97.4	Very high	135 Å²	135	65.8 Å²	65.8	59%	0.587	35%	0.346	S	S	*	.	H	α-helix	trans	-58.1	-44.5	173.8	-75.4	174.1	179.6	177.1	0	112	V401 H403 Q407 I408 E409	V401-K405 HydrophobicContact CG1-CD 4.22Å; V401-K405 VanDerWaalsContact O-CG 3.32Å; V401-K405 WeakPolarHBondContact O-CG 3.29Å; V401-K405 PolarHBondContact O-N 2.88Å; H403-K405 VanDerWaalsContact C-N 3.35Å; H403-K405 PolarHBondContact O-N 2.86Å; K405-Q407 VanDerWaalsContact C-N 3.33Å; K405-Q407 PolarHBondContact O-N 2.91Å; K405-I408 PolarHBondContact O-N 3.21Å; K405-E409 WeakPolarHBondContact O-CG 3.3Å; K405-E409 PolarHBondContact O-N 2.86Å
406	S	97.6	Very high	97.4	Very high	39 Å²	39	68 Å²	68	27%	0.273	36%	0.361	S	S	.	.	H	α-helix	trans	-61.7	-41.2	178	-55.4	0	0	0	0	111.9	K402 H403 A404 L410	K402-S406 PolarHBondContact O-N 3.44Å; K402-S406 VanDerWaalsContact O-N 3.13Å; K402-S406 PolarHBondContact O-OG 3.07Å; H403-S406 WeakPolarHBondContact O-CB 3.43Å; H403-S406 PolarHBondContact O-N 3.17Å; H403-S406 VanDerWaalsContact O-N 3.08Å; A404-S406 VanDerWaalsContact C-N 3.33Å; A404-S406 PolarHBondContact O-N 3.25Å; S406-L410 WeakPolarHBondContact O-CB 3.45Å; S406-L410 PolarHBondContact O-N 2.71Å; S406-L410 VanDerWaalsContact O-N 3.09Å
407	Q	96.9	Very high	97.4	Very high	46 Å²	46	73.1 Å²	73.1	22%	0.215	38%	0.379	C	S	.	.	H	α-helix	trans	-66	-44.6	177.2	-66.7	179.7	16.9	0	0	111.7	F293 I296 H403 A404 K405 E409 L410 I411	F293-Q407 HydrophobicContact CE2-CG 4.16Å; I296-Q407 HydrophobicContact CB-CG 4.45Å; I296-Q407 HydrophobicContact CD1-CG 4.31Å; I296-Q407 HydrophobicContact CG2-CG 3.57Å; H403-Q407 WeakPolarHBondContact O-CG 3.4Å; H403-Q407 PolarHBondContact O-N 3.22Å; A404-Q407 PolarHBondContact O-N 3.39Å; K405-Q407 VanDerWaalsContact C-N 3.33Å; K405-Q407 PolarHBondContact O-N 2.91Å; Q407-E409 VanDerWaalsContact C-N 3.34Å; Q407-E409 PolarHBondContact O-N 3.45Å; Q407-L410 PolarHBondContact O-N 3.28Å; Q407-I411 VanDerWaalsContact O-CG1 3.29Å; Q407-I411 WeakPolarHBondContact O-CG1 3.44Å; Q407-I411 PolarHBondContact O-N 3.08Å
408	I	98.3	Very high	97.2	Very high	84 Å²	84	74 Å²	74	43%	0.431	38%	0.376	S	S	.	.	H	α-helix	trans	-59	-46.8	178.9	-71.2	165.9	0	0	0	110.7	A404 K405 I411 K412	A404-I408 VanDerWaalsContact O-CG1 3.3Å; A404-I408 WeakPolarHBondContact O-CG1 3.21Å; A404-I408 PolarHBondContact O-N 2.93Å; K405-I408 PolarHBondContact O-N 3.21Å; I408-I411 PolarHBondContact O-N 3.37Å; I408-K412 HydrophobicContact CG2-CD 4.03Å; I408-K412 VanDerWaalsContact CG2-CE 3.47Å; I408-K412 HydrophobicContact CG2-CG 4.42Å; I408-K412 WeakPolarHBondContact O-CB 3.33Å; I408-K412 WeakPolarHBondContact O-CG 3.38Å; I408-K412 PolarHBondContact O-N 2.98Å
409	E	98.2	Very high	97	Very high	109 Å²	109	75.5 Å²	75.5	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-67.8	-36.7	-179.8	-67.1	-53.3	123.8	0	0	112.4	K405 Q407 K412 S413	K405-E409 WeakPolarHBondContact O-CG 3.3Å; K405-E409 PolarHBondContact O-N 2.86Å; Q407-E409 VanDerWaalsContact C-N 3.34Å; Q407-E409 PolarHBondContact O-N 3.45Å; E409-K412 IonicContact OE1-NZ 2.62Å; E409-K412 PolarHBondContact OE1-NZ 3.14Å; E409-S413 WeakPolarHBondContact O-CB 3.48Å; E409-S413 PolarHBondContact O-N 3.36Å; E409-S413 PolarHBondContact O-OG 3.28Å
410	L	98	Very high	96.8	Very high	25 Å²	25	80.4 Å²	80.4	13%	0.131	41%	0.406	C	S	.	.	H	α-helix	trans	-62.1	-45.7	172.5	176.4	62.5	0	0	0	111.8	F289 F293 I296 S406 Q407 S413 S414	F289-L410 HydrophobicContact CD2-CD1 4.28Å; F289-L410 HydrophobicContact CD2-CD2 4.21Å; F289-L410 HydrophobicContact CD2-CG 3.95Å; F289-L410 HydrophobicContact CE2-CD2 4.15Å; F289-L410 HydrophobicContact CE2-CG 4Å; F293-L410 HydrophobicContact CB-CD2 3.87Å; F293-L410 HydrophobicContact CD2-CD2 4.28Å; I296-L410 HydrophobicContact CD1-CB 4.29Å; I296-L410 HydrophobicContact CD1-CD2 3.79Å; S406-L410 WeakPolarHBondContact O-CB 3.45Å; S406-L410 PolarHBondContact O-N 2.71Å; S406-L410 VanDerWaalsContact O-N 3.09Å; Q407-L410 PolarHBondContact O-N 3.28Å; L410-S413 PolarHBondContact O-OG 3.49Å; L410-S414 VanDerWaalsContact O-CB 3.3Å; L410-S414 WeakPolarHBondContact O-CB 3.37Å; L410-S414 PolarHBondContact O-N 3.5Å; L410-S414 PolarHBondContact O-OG 3.39Å
411	I	98	Very high	96.5	Very high	82 Å²	82	78.6 Å²	78.6	42%	0.421	40%	0.398	S	S	.	.	H	α-helix	trans	-66.3	-45.4	-179.5	-68.1	166.1	0	0	0	110.5	F289 Q407 I408 S414 L415	F289-I411 HydrophobicContact CE2-CG1 3.99Å; F289-I411 HydrophobicContact CZ-CG1 4.3Å; Q407-I411 VanDerWaalsContact O-CG1 3.29Å; Q407-I411 WeakPolarHBondContact O-CG1 3.44Å; Q407-I411 PolarHBondContact O-N 3.08Å; I408-I411 PolarHBondContact O-N 3.37Å; I411-S414 PolarHBondContact O-N 3.37Å; I411-L415 VanDerWaalsContact O-CB 3.29Å; I411-L415 WeakPolarHBondContact O-CB 3.42Å; I411-L415 PolarHBondContact O-N 2.83Å
412	K	98.1	Very high	95.9	Very high	108 Å²	108	81.5 Å²	81.5	47%	0.47	41%	0.411	S	S	.	.	H	α-helix	trans	-60.8	-47.5	178.2	-76.2	176.2	-176.1	167.2	0	112.4	I408 E409 S414 L415 T416	I408-K412 HydrophobicContact CG2-CD 4.03Å; I408-K412 VanDerWaalsContact CG2-CE 3.47Å; I408-K412 HydrophobicContact CG2-CG 4.42Å; I408-K412 WeakPolarHBondContact O-CB 3.33Å; I408-K412 WeakPolarHBondContact O-CG 3.38Å; I408-K412 PolarHBondContact O-N 2.98Å; E409-K412 IonicContact OE1-NZ 2.62Å; E409-K412 PolarHBondContact OE1-NZ 3.14Å; K412-S414 VanDerWaalsContact C-N 3.34Å; K412-S414 PolarHBondContact O-N 3.01Å; K412-L415 PolarHBondContact O-N 3.47Å; K412-T416 PolarHBondContact O-N 3.44Å; K412-T416 PolarHBondContact O-OG1 3Å; K412-T416 VanDerWaalsContact O-OG1 3.11Å
413	S	97.3	Very high	95	Very high	60 Å²	60	80.7 Å²	80.7	42%	0.42	41%	0.412	S	S	.	.	H	α-helix	trans	-63.8	-41.2	179.5	55.9	0	0	0	0	111.7	E409 L410 T416 R417	E409-S413 WeakPolarHBondContact O-CB 3.48Å; E409-S413 PolarHBondContact O-N 3.36Å; E409-S413 PolarHBondContact O-OG 3.28Å; L410-S413 PolarHBondContact O-OG 3.49Å; S413-T416 PolarHBondContact O-N 3.38Å; S413-R417 WeakPolarHBondContact O-CG 3.26Å; S413-R417 PolarHBondContact O-N 3.29Å; S413-R417 VanDerWaalsContact O-N 3.08Å
414	S	96.9	Very high	94	Very high	16 Å²	16	85.2 Å²	85.2	11%	0.112	44%	0.441	C	S	.	.	H	α-helix	trans	-66.6	-40.2	176.7	-55.9	0	0	0	0	112.1	F289 L410 I411 K412 T416 R417 L418	F289-S414 WeakPolarHBondContact CD2-OG 3.4Å; L410-S414 VanDerWaalsContact O-CB 3.3Å; L410-S414 WeakPolarHBondContact O-CB 3.37Å; L410-S414 PolarHBondContact O-N 3.5Å; L410-S414 PolarHBondContact O-OG 3.39Å; I411-S414 PolarHBondContact O-N 3.37Å; K412-S414 VanDerWaalsContact C-N 3.34Å; K412-S414 PolarHBondContact O-N 3.01Å; S414-T416 PolarHBondContact O-N 3.37Å; S414-R417 PolarHBondContact O-N 3.11Å; S414-L418 WeakPolarHBondContact O-CB 3.44Å; S414-L418 PolarHBondContact O-N 3.02Å
415	L	96.8	Very high	92.5	Very high	86 Å²	86	93.2 Å²	93.2	45%	0.45	49%	0.485	S	S	.	.	H	α-helix	trans	-61.7	-42.5	174.7	178.2	62.2	0	0	0	111.9	I411 K412 L418 K419	I411-L415 VanDerWaalsContact O-CB 3.29Å; I411-L415 WeakPolarHBondContact O-CB 3.42Å; I411-L415 PolarHBondContact O-N 2.83Å; K412-L415 PolarHBondContact O-N 3.47Å; L415-L418 PolarHBondContact O-N 3.01Å; L415-K419 WeakPolarHBondContact O-CG 3.18Å; L415-K419 PolarHBondContact O-N 2.96Å; L415-K419 VanDerWaalsContact O-N 3.14Å
416	T	97.1	Very high	92.2	Very high	87 Å²	87	91.2 Å²	91.2	53%	0.534	48%	0.48	S	S	.	.	H	α-helix	trans	-61.6	-44.9	175.7	-61.1	0	0	0	0	111.1	K412 S413 S414 K419 L420	K412-T416 PolarHBondContact O-N 3.44Å; K412-T416 PolarHBondContact O-OG1 3Å; K412-T416 VanDerWaalsContact O-OG1 3.11Å; S413-T416 PolarHBondContact O-N 3.38Å; S414-T416 PolarHBondContact O-N 3.37Å; T416-K419 PolarHBondContact O-N 2.81Å; T416-L420 WeakPolarHBondContact O-CG 3.5Å
417	R	95.1	Very high	91.9	Very high	128 Å²	128	93.9 Å²	93.9	48%	0.483	49%	0.491	S	S	.	.	H	α-helix	trans	-63.8	-41.1	176.6	-70.2	175.9	67.8	-168.5	-0.1	112.2	L285 S413 S414 K419 L420	L285-R417 HydrophobicContact CD1-CB 3.79Å; L285-R417 HydrophobicContact CD2-CB 4.01Å; S413-R417 WeakPolarHBondContact O-CG 3.26Å; S413-R417 PolarHBondContact O-N 3.29Å; S413-R417 VanDerWaalsContact O-N 3.08Å; S414-R417 PolarHBondContact O-N 3.11Å; R417-K419 VanDerWaalsContact C-N 3.28Å; R417-K419 PolarHBondContact O-N 2.7Å; R417-L420 WeakPolarHBondContact O-CB 3.33Å; R417-L420 PolarHBondContact O-N 3.27Å
418	L	94	Very high	91.6	Very high	75 Å²	75	96.6 Å²	96.6	39%	0.393	51%	0.506	S	S	.	.	H	α-helix	trans	-59.8	-39.9	178.8	-175	63.1	0	0	0	111.7	L282 L285 S414 L415 L420 I421	L282-L418 HydrophobicContact CD1-CD1 3.38Å; L285-L418 HydrophobicContact CD2-CB 3.84Å; L285-L418 HydrophobicContact CD2-CD1 4.05Å; S414-L418 WeakPolarHBondContact O-CB 3.44Å; S414-L418 PolarHBondContact O-N 3.02Å; L415-L418 PolarHBondContact O-N 3.01Å; L418-L420 PolarHBondContact O-N 3.44Å; L418-I421 HydrophobicContact CD1-CD1 4.39Å; L418-I421 PolarHBondContact O-N 3.01Å
419	K	94.1	Very high	91.2	Very high	159 Å²	159	97.3 Å²	97.3	69%	0.691	51%	0.51	S	S	*	.	H	α-helix	trans	-66.5	-19.4	177	-72.4	177.5	177.6	-176.8	0	114.2	L415 T416 R417	L415-K419 WeakPolarHBondContact O-CG 3.18Å; L415-K419 PolarHBondContact O-N 2.96Å; L415-K419 VanDerWaalsContact O-N 3.14Å; T416-K419 PolarHBondContact O-N 2.81Å; R417-K419 VanDerWaalsContact C-N 3.28Å; R417-K419 PolarHBondContact O-N 2.7Å
420	L	92.6	Very high	90.8	Very high	140 Å²	140	96.6 Å²	96.6	73%	0.733	51%	0.51	S	S	*	.	H	α-helix	trans	-88.9	-12.8	179.4	-64.6	173.2	0	0	0	112.7	T416 R417 L418 N422	T416-L420 WeakPolarHBondContact O-CG 3.5Å; R417-L420 WeakPolarHBondContact O-CB 3.33Å; R417-L420 PolarHBondContact O-N 3.27Å; L418-L420 PolarHBondContact O-N 3.44Å; L420-N422 PolarHBondContact O-N 3.22Å
421	I	90.4	Very high	90.3	Very high	27 Å²	27	101.3 Å²	101.3	14%	0.138	54%	0.536	C	S	.	.			trans	-74	112.3	177.9	-58.9	179.5	0	0	0	108.3	D281 L282 L285 L418 I423	D281-I421 HydrophobicContact CB-CD1 4.29Å; D281-I421 HydrophobicContact CB-CG1 4.47Å; D281-I421 HydrophobicContact CB-CG2 4.47Å; L282-I421 HydrophobicContact CB-CD1 4.18Å; L282-I421 HydrophobicContact CD1-CD1 4.23Å; L285-I421 HydrophobicContact CB-CD1 4.35Å; L285-I421 HydrophobicContact CD2-CD1 3.78Å; L418-I421 HydrophobicContact CD1-CD1 4.39Å; L418-I421 PolarHBondContact O-N 3.01Å; I421-I423 HydrophobicContact CG2-CG1 4.22Å; I421-I423 PolarHBondContact O-N 3.06Å
422	N	84.6	Confident	89.8	Confident	138 Å²	138	102.7 Å²	102.7	74%	0.738	54%	0.544	S	S	*	.			trans	-79.2	104.7	176.3	-172	18.1	0	0	0	109.6	S278 L420 P424	S278-N422 WeakPolarHBondContact CB-O 3.48Å; L420-N422 PolarHBondContact O-N 3.22Å; N422-P424 WeakPolarHBondContact O-CD 3.49Å
423	I	80.2	Confident	89.1	Confident	105 Å²	105	102.3 Å²	102.3	54%	0.538	55%	0.55	S	S	.	.			trans	-90.3	110.6	175.5	-57	174.5	0	0	0	107.2	I421 V425	I421-I423 HydrophobicContact CG2-CG1 4.22Å; I421-I423 PolarHBondContact O-N 3.06Å; I423-V425 PolarHBondContact O-N 3.23Å
424	P	74.3	Confident	88.4	Confident	96 Å²	96	105.8 Å²	105.8	62%	0.623	56%	0.56	S	S	*	*			trans	-61.2	124.2	172.1	24.2	-28.8	0	0	0	108.6	S278 N422	S278-P424 WeakPolarHBondContact OG-CD 3.31Å; N422-P424 WeakPolarHBondContact O-CD 3.49Å
425	V	65.2	Low	87.7	Confident	213 Å²	213	114 Å²	114	100%	1.291	60%	0.601	S	S	*	*			trans	-75	0	178.2	179.7	0	0	0	0	110.7	I423	I423-V425 PolarHBondContact O-N 3.23Å

Retrieved 425 of 425 residues in 776 ms (Link to these results)

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