A0A5K4EL79_SCHMA Loading...

Putative myosin heavy chain

AlphaFold DB (A0A3Q0KL77), UniProt , Accession A0A5K4EL79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 644 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	33.2	Very low	37.9	Very low	255 Å²	255	146.7 Å²	146.7	100%	1.256	77%	0.765	S	S	*	*				0	75.7	0	-72.3	-80.7	-168.9	0	0	107.5
2	G	38.3	Very low	38.3	Very low	67 Å²	67	141.1 Å²	141.1	69%	0.691	74%	0.744	S	S	*	*			trans	-143.2	96.1	179.6	0	0	0	0	0	106.7	V4	G2-V4 PolarHBondContact O-N 3.4Å
3	D	39	Very low	38	Very low	131 Å²	131	136.8 Å²	136.8	70%	0.701	74%	0.741	S	S	*	*			trans	34.4	77.6	160.4	-133.9	-11.9	0	0	0	118.4	G5	D3-G5 PolarHBondContact O-N 3.08Å
4	V	43.6	Very low	38.1	Very low	123 Å²	123	139 Å²	139	75%	0.745	74%	0.744	S	S	*	*			trans	-79.3	-0.2	167.2	-172.6	0	0	0	0	110.8	G2	G2-V4 PolarHBondContact O-N 3.4Å
5	G	37.9	Very low	38	Very low	51 Å²	51	135.4 Å²	135.4	53%	0.526	74%	0.741	S	S	.	*	S	Bend	trans	-72.4	-36	-174.3	0	0	0	0	0	114.5	D3	D3-G5 PolarHBondContact O-N 3.08Å
6	D	40.8	Very low	38	Very low	122 Å²	122	138.3 Å²	138.3	65%	0.652	75%	0.754	S	S	*	*	S	Bend	trans	-95.4	-6.5	-165.9	-101.6	11.3	0	0	0	115.6
7	F	36.9	Very low	38.1	Very low	200 Å²	200	132.4 Å²	132.4	88%	0.877	73%	0.733	S	S	*	*	S	Bend	trans	-99.7	-7.9	179.1	-89.3	-84	0	0	0	114.9	E9	F7-E9 PolarHBondContact O-N 2.79Å
8	L	36.6	Very low	38.1	Very low	138 Å²	138	135.8 Å²	135.8	72%	0.723	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-78.7	-3.8	174.4	-95.1	157.4	0	0	0	113.3	K10	L8-K10 VanDerWaalsContact C-N 3.33Å; L8-K10 PolarHBondContact O-N 2.86Å
9	E	37	Very low	38.2	Very low	158 Å²	158	133.6 Å²	133.6	74%	0.738	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-80.1	1.3	-171.3	-107.3	-167.5	173.2	0	0	116.3	F7	F7-E9 PolarHBondContact O-N 2.79Å
10	K	36.1	Very low	38.5	Very low	198 Å²	198	129.7 Å²	129.7	86%	0.861	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-140.3	41.3	-178.5	-61.2	-176.3	-174.8	173.2	0	114.8	L8	L8-K10 VanDerWaalsContact C-N 3.33Å; L8-K10 PolarHBondContact O-N 2.86Å
11	W	37.3	Very low	38.7	Very low	171 Å²	171	126.5 Å²	126.5	65%	0.648	70%	0.696	S	S	*	*	S	Bend	trans	-73	143.3	151	-150.8	-88.6	0	0	0	107.7	A13 Y92	W11-A13 PolarHBondContact O-N 2.93Å; W11-Y92 HydrophobicContact CZ2-CE1 4.46Å
12	P	42.9	Very low	39.3	Very low	79 Å²	79	121.3 Å²	121.3	51%	0.513	67%	0.666	S	S	.	*			trans	-58.1	106.2	-164.9	-21.1	31.5	0	0	0	111.4	H14 Y92	P12-H14 PolarHBondContact O-N 2.81Å; P12-H14 VanDerWaalsContact O-N 3.08Å; P12-Y92 WeakPolarHBondContact CD-OH 3.45Å; P12-Y92 WeakPolarHBondContact CG-OH 3.25Å
13	A	34.5	Very low	39.7	Very low	85 Å²	85	121 Å²	121	70%	0.702	65%	0.653	S	S	*	*			trans	-75.3	22	172.1	0	0	0	0	0	112.3	W11	W11-A13 PolarHBondContact O-N 2.93Å
14	H	38.9	Very low	40.2	Very low	168 Å²	168	117 Å²	117	78%	0.778	63%	0.632	S	S	*	*			trans	-128.5	83.4	177.1	-60.2	-50.5	0	0	0	109	P12 L16	P12-H14 PolarHBondContact O-N 2.81Å; P12-H14 VanDerWaalsContact O-N 3.08Å; H14-L16 PolarHBondContact O-N 3.37Å
15	A	36.6	Very low	40.6	Very low	85 Å²	85	114.1 Å²	114.1	70%	0.702	62%	0.621	S	S	*	*				77.8	10.9	76.8	0	0	0	0	0	115.7
16	L	38.9	Very low	41.5	Very low	181 Å²	181	113.9 Å²	113.9	95%	0.948	61%	0.611	S	S	*	*	S	Bend	trans	-112.2	62.8	165.2	-65.6	177.7	0	0	0	111.5	H14	H14-L16 PolarHBondContact O-N 3.37Å
17	G	39.3	Very low	42.3	Very low	38 Å²	38	112.6 Å²	112.6	39%	0.392	61%	0.607	S	S	.	*			trans	144.8	77.8	162.7	0	0	0	0	0	112.7	S19 V46	G17-S19 PolarHBondContact O-N 3.22Å; G17-V46 VanDerWaalsContact C-CG2 3.42Å
18	R	38.2	Very low	43.4	Very low	194 Å²	194	106.8 Å²	106.8	73%	0.732	59%	0.588	S	S	*	*			trans	-52.9	97.2	163.8	-64.6	167.7	173.1	-108.3	0.9	108.8	F20 N44 V46	R18-F20 VanDerWaalsContact C-N 3.34Å; R18-F20 HydrophobicContact CB-CD2 4.03Å; R18-F20 HydrophobicContact CB-CE2 3.59Å; R18-F20 HydrophobicContact CB-CZ 4.17Å; R18-F20 HydrophobicContact CG-CE2 4.4Å; R18-F20 PolarHBondContact O-N 2.95Å; R18-F20 VanDerWaalsContact O-N 3.17Å; R18-N44 PolarHBondContact O-OD1 2.87Å; R18-V46 WeakPolarHBondContact O-CG2 3.3Å
19	S	39.9	Very low	44.7	Very low	94 Å²	94	107.7 Å²	107.7	66%	0.657	59%	0.593	S	S	*	*			trans	-79.2	92.4	163.6	48	0	0	0	0	106.7	G17 A21 N44	G17-S19 PolarHBondContact O-N 3.22Å; S19-A21 PolarHBondContact O-N 3.17Å; S19-A21 VanDerWaalsContact O-N 3.15Å; S19-N44 WeakPolarHBondContact CA-OD1 3.49Å
20	F	44.1	Very low	45.7	Very low	56 Å²	56	107.8 Å²	107.8	25%	0.246	60%	0.599	C	S	.	*			trans	-59	121.1	168.5	-70	-87.8	0	0	0	106.4	R18 K22 I42 N44	R18-F20 VanDerWaalsContact C-N 3.34Å; R18-F20 HydrophobicContact CB-CD2 4.03Å; R18-F20 HydrophobicContact CB-CE2 3.59Å; R18-F20 HydrophobicContact CB-CZ 4.17Å; R18-F20 HydrophobicContact CG-CE2 4.4Å; R18-F20 PolarHBondContact O-N 2.95Å; R18-F20 VanDerWaalsContact O-N 3.17Å; F20-K22 PolarHBondContact O-N 3.3Å; F20-I42 HydrophobicContact CD1-CD1 4.28Å; F20-I42 HydrophobicContact CD1-CG2 4Å; F20-I42 HydrophobicContact CD2-CG2 3.54Å; F20-I42 HydrophobicContact CE1-CD1 3.95Å; F20-I42 HydrophobicContact CE1-CG2 3.88Å; F20-I42 HydrophobicContact CE2-CG2 3.4Å; F20-I42 VanDerWaalsContact CE2-CG2 3.4Å; F20-I42 HydrophobicContact CG-CG2 3.84Å; F20-I42 HydrophobicContact CZ-CD1 4.48Å; F20-I42 HydrophobicContact CZ-CG2 3.58Å; F20-N44 PolarHBondContact N-OD1 3.28Å; F20-N44 PolarHBondContact O-ND2 3.31Å
21	A	41.8	Very low	46.1	Very low	63 Å²	63	107.8 Å²	107.8	52%	0.521	59%	0.594	S	S	.	*			trans	-56.4	136.8	172.2	0	0	0	0	0	107.1	S19 S23	S19-A21 PolarHBondContact O-N 3.17Å; S19-A21 VanDerWaalsContact O-N 3.15Å; A21-S23 WeakPolarHBondContact CB-O 3.43Å; A21-S23 CarbonylContact O-C 3.47Å; A21-S23 PolarHBondContact O-N 2.89Å
22	K	47	Very low	46.5	Very low	145 Å²	145	106.2 Å²	106.2	63%	0.63	60%	0.597	S	S	*	*	S	Bend	trans	-54.3	-16.7	179	-73.7	-176.1	171.5	-176.6	0	113.2	F20 E37	F20-K22 PolarHBondContact O-N 3.3Å; K22-E37 PolarHBondContact O-N 3.06Å
23	S	45.3	Very low	47	Very low	61 Å²	61	105.6 Å²	105.6	43%	0.427	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.5	121.7	167.7	-39.7	0	0	0	0	111.4	A21 S34 L35	A21-S23 WeakPolarHBondContact CB-O 3.43Å; A21-S23 CarbonylContact O-C 3.47Å; A21-S23 PolarHBondContact O-N 2.89Å; S23-S34 VanDerWaalsContact CB-OG 3.29Å; S23-S34 WeakPolarHBondContact CB-OG 3.33Å; S23-L35 CarbonylContact C-O 3.54Å; S23-L35 WeakPolarHBondContact CA-O 3.37Å; S23-L35 WeakPolarHBondContact CB-O 3.29Å
24	N	51.2	Low	47.8	Very low	46 Å²	46	105.2 Å²	105.2	25%	0.246	58%	0.584	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.1	127.5	172	-67.9	-32.6	0	0	0	108.3	L35 T40	N24-L35 PolarHBondContact N-O 2.76Å; N24-L35 VanDerWaalsContact N-O 3.09Å; N24-L35 WeakPolarHBondContact O-CA 3.34Å; N24-L35 VanDerWaalsContact O-CB 3.24Å; N24-L35 WeakPolarHBondContact O-CB 3.47Å; N24-L35 PolarHBondContact O-N 3.09Å; N24-T40 HydrophobicContact CB-CG2 4.09Å; N24-T40 WeakPolarHBondContact ND2-CG2 3.41Å
25	A	51.8	Low	48.2	Very low	64 Å²	64	99.2 Å²	99.2	53%	0.529	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.8	129.5	171.7	0	0	0	0	0	110.1	L32 V33	A25-L32 HydrophobicContact CB-CD2 3.77Å; A25-L32 HydrophobicContact CB-CG 4.21Å; A25-V33 CarbonylContact C-O 3.6Å; A25-V33 VanDerWaalsContact CA-O 3.29Å; A25-V33 WeakPolarHBondContact CA-O 2.99Å
26	C	56.1	Low	49.1	Very low	46 Å²	46	98.6 Å²	98.6	31%	0.311	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.9	168.1	83.1	0	0	0	0	110.5	V28 V33 L35	C26-V28 WeakPolarHBondContact SG-CG2 3.01Å; C26-V33 PolarHBondContact N-O 3.24Å; C26-V33 PolarHBondContact O-N 2.97Å; C26-L35 HydrophobicContact CB-CD1 4.03Å
27	V	57	Low	49.6	Very low	95 Å²	95	94.6 Å²	94.6	58%	0.576	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	110.1	177.2	-179.8	0	0	0	0	108.1	R31 L32	V27-R31 WeakPolarHBondContact CA-O 3.46Å; V27-L32 HydrophobicContact CG2-CD1 4.11Å
28	V	61.6	Low	50.3	Low	77 Å²	77	98.9 Å²	98.9	47%	0.467	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.9	172.7	-174.1	0	0	0	0	107.4	C26 N30 R31	C26-V28 WeakPolarHBondContact SG-CG2 3.01Å; V28-N30 VanDerWaalsContact C-N 3.35Å; V28-N30 PolarHBondContact O-N 2.86Å; V28-R31 PolarHBondContact N-O 3.39Å; V28-R31 PolarHBondContact O-N 2.88Å
29	N	62.6	Low	50.9	Low	157 Å²	157	95.4 Å²	95.4	84%	0.84	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	50.5	-178.6	-64.3	-11.6	0	0	0	113.4	R31	N29-R31 PolarHBondContact O-N 3.29Å; N29-R31 VanDerWaalsContact O-N 3.12Å
30	N	58.7	Low	51.5	Low	160 Å²	160	92.3 Å²	92.3	86%	0.856	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	20.2	-178.4	-73.9	13.1	0	0	0	115.4	V28	V28-N30 VanDerWaalsContact C-N 3.35Å; V28-N30 PolarHBondContact O-N 2.86Å
31	R	43.5	Very low	51.7	Low	198 Å²	198	98.7 Å²	98.7	75%	0.747	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.4	168.3	-72.6	-174.8	176.5	175.5	-0.4	110.7	V27 V28 N29 V33	V27-R31 WeakPolarHBondContact CA-O 3.46Å; V28-R31 PolarHBondContact N-O 3.39Å; V28-R31 PolarHBondContact O-N 2.88Å; N29-R31 PolarHBondContact O-N 3.29Å; N29-R31 VanDerWaalsContact O-N 3.12Å; R31-V33 PolarHBondContact O-N 3.02Å
32	L	46.7	Very low	51.8	Low	138 Å²	138	99 Å²	99	72%	0.723	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	115.5	176	-145.7	112.2	0	0	0	108.5	A25 V27	A25-L32 HydrophobicContact CB-CD2 3.77Å; A25-L32 HydrophobicContact CB-CG 4.21Å; V27-L32 HydrophobicContact CG2-CD1 4.11Å
33	V	53.4	Low	51.7	Low	66 Å²	66	96.1 Å²	96.1	40%	0.4	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.3	178.9	-179.4	0	0	0	0	108.7	A25 C26 R31	A25-V33 CarbonylContact C-O 3.6Å; A25-V33 VanDerWaalsContact CA-O 3.29Å; A25-V33 WeakPolarHBondContact CA-O 2.99Å; C26-V33 PolarHBondContact N-O 3.24Å; C26-V33 PolarHBondContact O-N 2.97Å; R31-V33 PolarHBondContact O-N 3.02Å
34	S	51.2	Low	51.6	Low	77 Å²	77	96 Å²	96	54%	0.538	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	110.9	176.4	-170.4	0	0	0	0	109.4	S23	S23-S34 VanDerWaalsContact CB-OG 3.29Å; S23-S34 WeakPolarHBondContact CB-OG 3.33Å
35	L	48.2	Very low	51.4	Low	42 Å²	42	100.2 Å²	100.2	22%	0.22	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.9	178.6	-63.7	166	0	0	0	110	S23 N24 C26 E39 T40	S23-L35 CarbonylContact C-O 3.54Å; S23-L35 WeakPolarHBondContact CA-O 3.37Å; S23-L35 WeakPolarHBondContact CB-O 3.29Å; N24-L35 PolarHBondContact N-O 2.76Å; N24-L35 VanDerWaalsContact N-O 3.09Å; N24-L35 WeakPolarHBondContact O-CA 3.34Å; N24-L35 VanDerWaalsContact O-CB 3.24Å; N24-L35 WeakPolarHBondContact O-CB 3.47Å; N24-L35 PolarHBondContact O-N 3.09Å; C26-L35 HydrophobicContact CB-CD1 4.03Å; L35-E39 VanDerWaalsContact CA-OE2 3.26Å; L35-E39 WeakPolarHBondContact CA-OE2 3.34Å; L35-E39 HydrophobicContact CB-CB 4.43Å; L35-E39 HydrophobicContact CD2-CB 4.25Å; L35-E39 WeakPolarHBondContact CD2-OE2 3.26Å; L35-T40 HydrophobicContact CB-CG2 3.86Å; L35-T40 HydrophobicContact CD1-CG2 4.11Å
36	T	54.4	Low	51.3	Low	72 Å²	72	100.2 Å²	100.2	44%	0.442	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	164.5	178	57.1	0	0	0	0	112.4	V38 E39 T40	T36-V38 PolarHBondContact O-N 3.23Å; T36-E39 PolarHBondContact N-OE2 2.87Å; T36-E39 PolarHBondContact O-N 3.33Å; T36-T40 PolarHBondContact O-N 3.15Å
37	E	49.9	Very low	51.3	Low	98 Å²	98	103.2 Å²	103.2	46%	0.458	55%	0.553	S	S	.	*	H	α-helix	trans	-52.4	-29	179.4	-144.8	168.7	-154.7	0	0	113	K22	K22-E37 PolarHBondContact O-N 3.06Å
38	V	53.1	Low	51.3	Low	128 Å²	128	102.7 Å²	102.7	78%	0.776	54%	0.543	S	S	*	.	H	α-helix	trans	-69.9	-35.5	177.1	-173.8	0	0	0	0	112	T36	T36-V38 PolarHBondContact O-N 3.23Å
39	E	51.1	Low	51.7	Low	121 Å²	121	102.6 Å²	102.6	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-82	-31.4	-174.4	-67.7	172.5	141	0	0	112.5	L35 T36	L35-E39 VanDerWaalsContact CA-OE2 3.26Å; L35-E39 WeakPolarHBondContact CA-OE2 3.34Å; L35-E39 HydrophobicContact CB-CB 4.43Å; L35-E39 HydrophobicContact CD2-CB 4.25Å; L35-E39 WeakPolarHBondContact CD2-OE2 3.26Å; T36-E39 PolarHBondContact N-OE2 2.87Å; T36-E39 PolarHBondContact O-N 3.33Å
40	T	51.9	Low	52.4	Low	29 Å²	29	103.6 Å²	103.6	18%	0.178	54%	0.541	C	S	.	.	H	α-helix	trans	-85.7	-12.3	-173.2	56.6	0	0	0	0	113.9	N24 L35 T36 I42	N24-T40 HydrophobicContact CB-CG2 4.09Å; N24-T40 WeakPolarHBondContact ND2-CG2 3.41Å; L35-T40 HydrophobicContact CB-CG2 3.86Å; L35-T40 HydrophobicContact CD1-CG2 4.11Å; T36-T40 PolarHBondContact O-N 3.15Å; T40-I42 VanDerWaalsContact O-CG1 3.3Å; T40-I42 WeakPolarHBondContact O-CG1 3.24Å; T40-I42 PolarHBondContact O-N 2.74Å
41	K	48.2	Very low	53.3	Low	189 Å²	189	98.1 Å²	98.1	82%	0.822	51%	0.51	S	S	*	.			trans	47.7	17	178.2	-69	-173	178.6	-179.7	0	115.1	P43	K41-P43 VanDerWaalsContact O-CD 3.25Å; K41-P43 WeakPolarHBondContact O-CD 3.04Å
42	I	45.1	Very low	55	Low	69 Å²	69	90.8 Å²	90.8	35%	0.354	49%	0.485	S	S	.	.			trans	-102	103.7	178.7	-64.4	156.1	0	0	0	106.9	F20 T40 N44	F20-I42 HydrophobicContact CD1-CD1 4.28Å; F20-I42 HydrophobicContact CD1-CG2 4Å; F20-I42 HydrophobicContact CD2-CG2 3.54Å; F20-I42 HydrophobicContact CE1-CD1 3.95Å; F20-I42 HydrophobicContact CE1-CG2 3.88Å; F20-I42 HydrophobicContact CE2-CG2 3.4Å; F20-I42 VanDerWaalsContact CE2-CG2 3.4Å; F20-I42 HydrophobicContact CG-CG2 3.84Å; F20-I42 HydrophobicContact CZ-CD1 4.48Å; F20-I42 HydrophobicContact CZ-CG2 3.58Å; T40-I42 VanDerWaalsContact O-CG1 3.3Å; T40-I42 WeakPolarHBondContact O-CG1 3.24Å; T40-I42 PolarHBondContact O-N 2.74Å; I42-N44 PolarHBondContact O-N 3.12Å
43	P	44.2	Very low	56.6	Low	85 Å²	85	87.3 Å²	87.3	55%	0.552	47%	0.467	S	S	*	.			trans	-62.1	123.2	174.7	25.2	-32.8	0	0	0	108.8	K41 I45	K41-P43 VanDerWaalsContact O-CD 3.25Å; K41-P43 WeakPolarHBondContact O-CD 3.04Å; P43-I45 VanDerWaalsContact C-N 3.26Å; P43-I45 HydrophobicContact CB-CD1 4.27Å; P43-I45 HydrophobicContact CB-CG1 4.05Å; P43-I45 HydrophobicContact CG-CD1 3.77Å; P43-I45 HydrophobicContact CG-CG1 4.11Å; P43-I45 WeakPolarHBondContact O-CG1 3.48Å; P43-I45 PolarHBondContact O-N 3.06Å
44	N	44	Very low	58	Low	58 Å²	58	88.5 Å²	88.5	31%	0.31	47%	0.47	S	S	.	.			trans	-72.2	84.1	176.1	-156.6	6.7	0	0	0	108.7	R18 S19 F20 I42 V46	R18-N44 PolarHBondContact O-OD1 2.87Å; S19-N44 WeakPolarHBondContact CA-OD1 3.49Å; F20-N44 PolarHBondContact N-OD1 3.28Å; F20-N44 PolarHBondContact O-ND2 3.31Å; I42-N44 PolarHBondContact O-N 3.12Å; N44-V46 VanDerWaalsContact C-N 3.27Å; N44-V46 PolarHBondContact O-N 2.85Å
45	I	46.9	Very low	59.5	Low	135 Å²	135	85.2 Å²	85.2	69%	0.692	45%	0.447	S	S	*	.			trans	-76.4	-5.6	-166.8	-75.8	155.4	0	0	0	113.5	P43 P47	P43-I45 VanDerWaalsContact C-N 3.26Å; P43-I45 HydrophobicContact CB-CD1 4.27Å; P43-I45 HydrophobicContact CB-CG1 4.05Å; P43-I45 HydrophobicContact CG-CD1 3.77Å; P43-I45 HydrophobicContact CG-CG1 4.11Å; P43-I45 WeakPolarHBondContact O-CG1 3.48Å; P43-I45 PolarHBondContact O-N 3.06Å; I45-P47 WeakPolarHBondContact O-CD 3.03Å
46	V	50	Low	61.3	Low	64 Å²	64	87.8 Å²	87.8	39%	0.388	46%	0.458	S	S	.	.			trans	-69.7	107.3	-179.7	-169	0	0	0	0	108.9	G17 R18 N44 K48	G17-V46 VanDerWaalsContact C-CG2 3.42Å; R18-V46 WeakPolarHBondContact O-CG2 3.3Å; N44-V46 VanDerWaalsContact C-N 3.27Å; N44-V46 PolarHBondContact O-N 2.85Å; V46-K48 PolarHBondContact O-N 2.99Å
47	P	56	Low	62.7	Low	109 Å²	109	91.1 Å²	91.1	71%	0.708	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-63.9	129.6	-178.4	-13.8	30	0	0	0	107.4	I45	I45-P47 WeakPolarHBondContact O-CD 3.03Å
48	K	57.3	Low	64.4	Low	84 Å²	84	92.5 Å²	92.5	37%	0.365	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-51.9	128.4	171.8	-175.9	177.7	174.1	-160.2	0	108.7	V46 K50 L52 D53 E56	V46-K48 PolarHBondContact O-N 2.99Å; K48-K50 PolarHBondContact O-N 3.06Å; K48-L52 HydrophobicContact CG-CB 4.18Å; K48-L52 HydrophobicContact CG-CD1 4.42Å; K48-D53 WeakPolarHBondContact CD-OD1 3.33Å; K48-D53 WeakPolarHBondContact CE-OD1 3.32Å; K48-D53 IonicContact NZ-OD1 2.66Å; K48-D53 PolarHBondContact NZ-OD1 3.34Å; K48-E56 WeakPolarHBondContact CE-OE1 3.23Å; K48-E56 IonicContact NZ-OE1 2.68Å; K48-E56 PolarHBondContact NZ-OE1 3.32Å; K48-E56 IonicContact NZ-OE2 2.75Å; K48-E56 PolarHBondContact NZ-OE2 3.33Å
49	P	69.7	Low	65.9	Low	76 Å²	76	87.7 Å²	87.7	49%	0.494	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-55.8	130.8	178.9	-25.4	32.2	0	0	0	110.6	F51 L52	P49-F51 PolarHBondContact O-N 3.12Å; P49-L52 HydrophobicContact CB-CG 4.35Å; P49-L52 HydrophobicContact CG-CD1 4.32Å; P49-L52 HydrophobicContact CG-CG 4.47Å; P49-L52 PolarHBondContact O-N 3.43Å
50	K	76.8	Confident	67.5	Low	177 Å²	177	85.3 Å²	85.3	77%	0.77	44%	0.436	S	S	*	.	H	α-helix	trans	-51.8	-30.5	178.9	-67.4	-176.7	178.4	179.6	0	112.7	K48 D53 I54	K48-K50 PolarHBondContact O-N 3.06Å; K50-D53 PolarHBondContact O-N 3.46Å; K50-I54 VanDerWaalsContact O-CG1 3.32Å; K50-I54 WeakPolarHBondContact O-CG1 3.29Å; K50-I54 PolarHBondContact O-N 3.04Å
51	F	78	Confident	69.1	Low	46 Å²	46	88.2 Å²	88.2	20%	0.202	45%	0.45	C	S	.	.	H	α-helix	trans	-60.5	-42.5	174.3	168.3	-106.8	0	0	0	113.4	P49 D53 I54 L55 S84 F85 E88	P49-F51 PolarHBondContact O-N 3.12Å; F51-D53 VanDerWaalsContact C-N 3.3Å; F51-D53 PolarHBondContact O-N 3.24Å; F51-I54 WeakPolarHBondContact O-CB 3.36Å; F51-I54 PolarHBondContact O-N 2.88Å; F51-I54 VanDerWaalsContact O-N 3.11Å; F51-L55 HydrophobicContact CD1-CD1 4.14Å; F51-L55 HydrophobicContact CD1-CG 4.46Å; F51-L55 HydrophobicContact CD2-CG 4.34Å; F51-L55 HydrophobicContact CE1-CD1 3.26Å; F51-L55 HydrophobicContact CE1-CG 3.83Å; F51-L55 HydrophobicContact CE2-CD1 4.01Å; F51-L55 HydrophobicContact CE2-CD2 3.92Å; F51-L55 HydrophobicContact CE2-CG 3.68Å; F51-L55 HydrophobicContact CZ-CD1 3.19Å; F51-L55 HydrophobicContact CZ-CD2 3.78Å; F51-L55 HydrophobicContact CZ-CG 3.4Å; F51-L55 VanDerWaalsContact CZ-CG 3.4Å; F51-L55 PolarHBondContact O-N 3.24Å; F51-S84 WeakPolarHBondContact CZ-O 3.39Å; F51-F85 HydrophobicContact CE1-CD2 4.41Å; F51-E88 HydrophobicContact CD1-CB 4.02Å; F51-E88 HydrophobicContact CD1-CG 3.85Å; F51-E88 HydrophobicContact CD2-CG 3.55Å; F51-E88 HydrophobicContact CE1-CB 3.71Å; F51-E88 HydrophobicContact CE1-CG 3.56Å; F51-E88 HydrophobicContact CE2-CB 4.31Å; F51-E88 HydrophobicContact CE2-CG 3.25Å; F51-E88 HydrophobicContact CG-CB 4.42Å; F51-E88 HydrophobicContact CG-CG 3.82Å; F51-E88 HydrophobicContact CZ-CB 3.85Å; F51-E88 HydrophobicContact CZ-CG 3.23Å
52	L	77.7	Confident	70.7	Confident	44 Å²	44	80.5 Å²	80.5	23%	0.23	43%	0.425	C	S	.	.	H	α-helix	trans	-65.9	-35.3	177.5	-63.4	-174.4	0	0	0	111.5	K48 P49 I54 L55 E56 F85	K48-L52 HydrophobicContact CG-CB 4.18Å; K48-L52 HydrophobicContact CG-CD1 4.42Å; P49-L52 HydrophobicContact CB-CG 4.35Å; P49-L52 HydrophobicContact CG-CD1 4.32Å; P49-L52 HydrophobicContact CG-CG 4.47Å; P49-L52 PolarHBondContact O-N 3.43Å; L52-I54 VanDerWaalsContact C-N 3.31Å; L52-I54 PolarHBondContact O-N 3.33Å; L52-L55 HydrophobicContact CD2-CD1 4.26Å; L52-L55 PolarHBondContact O-N 3.39Å; L52-E56 WeakPolarHBondContact O-CB 3.5Å; L52-E56 WeakPolarHBondContact O-CG 3.35Å; L52-E56 PolarHBondContact O-N 3.41Å; L52-F85 HydrophobicContact CD2-CD2 3.68Å; L52-F85 HydrophobicContact CD2-CE2 3.77Å
53	D	80.4	Confident	72.5	Confident	64 Å²	64	79.3 Å²	79.3	34%	0.342	42%	0.419	S	S	.	.	H	α-helix	trans	-65	-36.3	172.2	-74.3	-25.7	0	0	0	112.1	K48 K50 F51 K57	K48-D53 WeakPolarHBondContact CD-OD1 3.33Å; K48-D53 WeakPolarHBondContact CE-OD1 3.32Å; K48-D53 IonicContact NZ-OD1 2.66Å; K48-D53 PolarHBondContact NZ-OD1 3.34Å; K50-D53 PolarHBondContact O-N 3.46Å; F51-D53 VanDerWaalsContact C-N 3.3Å; F51-D53 PolarHBondContact O-N 3.24Å; D53-K57 WeakPolarHBondContact O-CB 3.34Å; D53-K57 VanDerWaalsContact O-CG 3.23Å; D53-K57 WeakPolarHBondContact O-CG 3.14Å; D53-K57 PolarHBondContact O-N 2.86Å
54	I	84.4	Confident	74.4	Confident	92 Å²	92	82.5 Å²	82.5	47%	0.472	42%	0.424	S	S	.	.	H	α-helix	trans	-66.8	-43.9	174.3	-65.9	163.1	0	0	0	110.3	K50 F51 L52 K57 K58	K50-I54 VanDerWaalsContact O-CG1 3.32Å; K50-I54 WeakPolarHBondContact O-CG1 3.29Å; K50-I54 PolarHBondContact O-N 3.04Å; F51-I54 WeakPolarHBondContact O-CB 3.36Å; F51-I54 PolarHBondContact O-N 2.88Å; F51-I54 VanDerWaalsContact O-N 3.11Å; L52-I54 VanDerWaalsContact C-N 3.31Å; L52-I54 PolarHBondContact O-N 3.33Å; I54-K57 PolarHBondContact O-N 3.33Å; I54-K58 WeakPolarHBondContact O-CG 3.19Å; I54-K58 PolarHBondContact O-N 3.25Å
55	L	82.1	Confident	75.9	Confident	8 Å²	8	87 Å²	87	4%	0.042	45%	0.448	C	S	.	.	H	α-helix	trans	-62.5	-47.3	176.2	-77.6	-175.2	0	0	0	112.4	F51 L52 K57 K58 I59 S84 F85	F51-L55 HydrophobicContact CD1-CD1 4.14Å; F51-L55 HydrophobicContact CD1-CG 4.46Å; F51-L55 HydrophobicContact CD2-CG 4.34Å; F51-L55 HydrophobicContact CE1-CD1 3.26Å; F51-L55 HydrophobicContact CE1-CG 3.83Å; F51-L55 HydrophobicContact CE2-CD1 4.01Å; F51-L55 HydrophobicContact CE2-CD2 3.92Å; F51-L55 HydrophobicContact CE2-CG 3.68Å; F51-L55 HydrophobicContact CZ-CD1 3.19Å; F51-L55 HydrophobicContact CZ-CD2 3.78Å; F51-L55 HydrophobicContact CZ-CG 3.4Å; F51-L55 VanDerWaalsContact CZ-CG 3.4Å; F51-L55 PolarHBondContact O-N 3.24Å; L52-L55 HydrophobicContact CD2-CD1 4.26Å; L52-L55 PolarHBondContact O-N 3.39Å; L55-K57 VanDerWaalsContact C-N 3.3Å; L55-K57 PolarHBondContact O-N 3.34Å; L55-K58 CarbonylContact O-C 3.51Å; L55-K58 WeakPolarHBondContact O-CA 3.47Å; L55-K58 WeakPolarHBondContact O-CB 3.35Å; L55-K58 PolarHBondContact O-N 2.75Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 3.01Å; L55-S84 VanDerWaalsContact CD2-CB 3.47Å; L55-F85 HydrophobicContact CD1-CB 3.86Å; L55-F85 HydrophobicContact CD1-CD2 4.3Å
56	E	85.2	Confident	77.4	Confident	96 Å²	96	82.1 Å²	82.1	45%	0.449	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-40.6	177.5	-79.7	175.9	-154.1	0	0	111.4	K48 L52 K58 I59 C60	K48-E56 WeakPolarHBondContact CE-OE1 3.23Å; K48-E56 IonicContact NZ-OE1 2.68Å; K48-E56 PolarHBondContact NZ-OE1 3.32Å; K48-E56 IonicContact NZ-OE2 2.75Å; K48-E56 PolarHBondContact NZ-OE2 3.33Å; L52-E56 WeakPolarHBondContact O-CB 3.5Å; L52-E56 WeakPolarHBondContact O-CG 3.35Å; L52-E56 PolarHBondContact O-N 3.41Å; E56-K58 VanDerWaalsContact C-N 3.32Å; E56-K58 PolarHBondContact O-N 2.66Å; E56-I59 PolarHBondContact O-N 2.72Å; E56-C60 WeakPolarHBondContact O-CB 3.46Å; E56-C60 PolarHBondContact O-N 3.25Å; E56-C60 PolarHBondContact O-SG 3.32Å
57	K	84.9	Confident	78.4	Confident	142 Å²	142	89.5 Å²	89.5	62%	0.617	44%	0.444	S	S	*	.	H	α-helix	trans	-61.4	-40.1	172.2	-75.8	175.3	-177.3	178.7	0	111.9	D53 I54 L55 N61	D53-K57 WeakPolarHBondContact O-CB 3.34Å; D53-K57 VanDerWaalsContact O-CG 3.23Å; D53-K57 WeakPolarHBondContact O-CG 3.14Å; D53-K57 PolarHBondContact O-N 2.86Å; I54-K57 PolarHBondContact O-N 3.33Å; L55-K57 VanDerWaalsContact C-N 3.3Å; L55-K57 PolarHBondContact O-N 3.34Å; K57-N61 WeakPolarHBondContact O-CB 3.36Å; K57-N61 PolarHBondContact O-N 3Å; K57-N61 PolarHBondContact O-ND2 3.4Å
58	K	84.1	Confident	79	Confident	126 Å²	126	88.3 Å²	88.3	55%	0.548	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-46.2	173.5	-76.8	-179	176	-174.6	0	111.5	I54 L55 E56 N61 G62	I54-K58 WeakPolarHBondContact O-CG 3.19Å; I54-K58 PolarHBondContact O-N 3.25Å; L55-K58 CarbonylContact O-C 3.51Å; L55-K58 WeakPolarHBondContact O-CA 3.47Å; L55-K58 WeakPolarHBondContact O-CB 3.35Å; L55-K58 PolarHBondContact O-N 2.75Å; E56-K58 VanDerWaalsContact C-N 3.32Å; E56-K58 PolarHBondContact O-N 2.66Å; K58-N61 PolarHBondContact O-N 2.87Å; K58-G62 PolarHBondContact O-N 3.11Å
59	I	85.8	Confident	79.8	Confident	28 Å²	28	90.9 Å²	90.9	14%	0.144	46%	0.456	C	S	.	.	H	α-helix	trans	-61	-52.1	176.8	-66.4	167	0	0	0	110.1	L55 E56 N61 G62 L63 I77 Y78 A81	L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 3.01Å; E56-I59 PolarHBondContact O-N 2.72Å; I59-N61 VanDerWaalsContact C-N 3.31Å; I59-N61 PolarHBondContact O-N 3.49Å; I59-G62 PolarHBondContact O-N 3.43Å; I59-L63 HydrophobicContact CG2-CD1 3.65Å; I59-L63 HydrophobicContact CG2-CG 4.26Å; I59-L63 WeakPolarHBondContact O-CB 3.4Å; I59-L63 VanDerWaalsContact O-CG 3.3Å; I59-L63 WeakPolarHBondContact O-CG 3.46Å; I59-L63 PolarHBondContact O-N 2.85Å; I59-I77 HydrophobicContact CB-CG2 4.43Å; I59-I77 HydrophobicContact CG1-CG2 4.4Å; I59-I77 HydrophobicContact CG2-CG2 4.31Å; I59-Y78 HydrophobicContact CD1-CD1 4.41Å; I59-Y78 HydrophobicContact CD1-CE1 4.37Å; I59-Y78 HydrophobicContact CG2-CD1 4.45Å; I59-Y78 HydrophobicContact CG2-CE1 3.84Å; I59-A81 HydrophobicContact CD1-CB 3.63Å; I59-A81 HydrophobicContact CG1-CB 3.49Å; I59-A81 VanDerWaalsContact CG1-CB 3.49Å
60	C	84.9	Confident	80.3	Confident	71 Å²	71	90.6 Å²	90.6	48%	0.48	45%	0.45	S	S	.	.	H	α-helix	trans	-59.6	-41.7	178.8	-71.6	0	0	0	0	111.7	E56 L63 K64	E56-C60 WeakPolarHBondContact O-CB 3.46Å; E56-C60 PolarHBondContact O-N 3.25Å; E56-C60 PolarHBondContact O-SG 3.32Å; C60-L63 PolarHBondContact O-N 2.9Å; C60-K64 VanDerWaalsContact O-CG 3.28Å; C60-K64 WeakPolarHBondContact O-CG 3.43Å; C60-K64 PolarHBondContact O-N 2.82Å; C60-K64 VanDerWaalsContact O-N 3.09Å
61	N	84.9	Confident	80.6	Confident	90 Å²	90	92.1 Å²	92.1	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-68.8	-38.8	177.7	-73.1	-15.2	0	0	0	112.3	K57 K58 I59 K64	K57-N61 WeakPolarHBondContact O-CB 3.36Å; K57-N61 PolarHBondContact O-N 3Å; K57-N61 PolarHBondContact O-ND2 3.4Å; K58-N61 PolarHBondContact O-N 2.87Å; I59-N61 VanDerWaalsContact C-N 3.31Å; I59-N61 PolarHBondContact O-N 3.49Å; N61-K64 PolarHBondContact OD1-NZ 3.2Å
62	G	83	Confident	80.9	Confident	27 Å²	27	95.8 Å²	95.8	28%	0.278	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-42.8	173.5	0	0	0	0	0	112	K58 I59 K64 I66 I77	K58-G62 PolarHBondContact O-N 3.11Å; I59-G62 PolarHBondContact O-N 3.43Å; G62-K64 PolarHBondContact O-N 2.85Å; G62-I66 WeakPolarHBondContact O-CG1 3.18Å; G62-I77 WeakPolarHBondContact O-CD1 3.24Å
63	L	82.7	Confident	81.1	Confident	44 Å²	44	97.9 Å²	97.9	23%	0.23	48%	0.484	C	S	.	.	H	α-helix	trans	-73.8	-22.8	-177.7	-69.4	174.5	0	0	0	113.9	I59 C60 N65 I66 R74 I77 Y78	I59-L63 HydrophobicContact CG2-CD1 3.65Å; I59-L63 HydrophobicContact CG2-CG 4.26Å; I59-L63 WeakPolarHBondContact O-CB 3.4Å; I59-L63 VanDerWaalsContact O-CG 3.3Å; I59-L63 WeakPolarHBondContact O-CG 3.46Å; I59-L63 PolarHBondContact O-N 2.85Å; C60-L63 PolarHBondContact O-N 2.9Å; L63-N65 PolarHBondContact O-N 3.32Å; L63-I66 PolarHBondContact O-N 2.91Å; L63-R74 HydrophobicContact CD2-CB 4.43Å; L63-R74 HydrophobicContact CD2-CG 3.92Å; L63-I77 HydrophobicContact CD2-CD1 4.02Å; L63-I77 HydrophobicContact CG-CD1 4.33Å; L63-Y78 HydrophobicContact CD1-CE2 4.13Å; L63-Y78 HydrophobicContact CD2-CE2 4.4Å
64	K	82.8	Confident	81.4	Confident	151 Å²	151	99.7 Å²	99.7	66%	0.657	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-30.3	179.3	-85.3	169.7	-169.7	169.5	0	113.7	C60 N61 G62	C60-K64 VanDerWaalsContact O-CG 3.28Å; C60-K64 WeakPolarHBondContact O-CG 3.43Å; C60-K64 PolarHBondContact O-N 2.82Å; C60-K64 VanDerWaalsContact O-N 3.09Å; N61-K64 PolarHBondContact OD1-NZ 3.2Å; G62-K64 PolarHBondContact O-N 2.85Å
65	N	75.9	Confident	81.5	Confident	153 Å²	153	99.7 Å²	99.7	82%	0.818	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-1.5	-174	-68.2	-8.6	0	0	0	113.7	L63	L63-N65 PolarHBondContact O-N 3.32Å
66	I	78.2	Confident	81.7	Confident	33 Å²	33	103.1 Å²	103.1	17%	0.169	50%	0.498	C	S	.	.	S	Bend	trans	-102	134.7	-171.2	-60	-175.5	0	0	0	110.6	G62 L63 D70 L73 R74 I77	G62-I66 WeakPolarHBondContact O-CG1 3.18Å; L63-I66 PolarHBondContact O-N 2.91Å; I66-D70 HydrophobicContact CG2-CB 3.96Å; I66-L73 HydrophobicContact CD1-CB 3.95Å; I66-L73 HydrophobicContact CD1-CD2 3.73Å; I66-L73 HydrophobicContact CD1-CG 3.84Å; I66-L73 HydrophobicContact CG1-CD2 3.86Å; I66-L73 HydrophobicContact CG2-CB 4.27Å; I66-L73 HydrophobicContact CG2-CD2 4.31Å; I66-R74 HydrophobicContact CG2-CG 4.11Å; I66-I77 HydrophobicContact CD1-CD1 3.18Å; I66-I77 HydrophobicContact CD1-CG1 4.27Å; I66-I77 HydrophobicContact CG1-CD1 4.35Å
67	R	70.9	Confident	81.8	Confident	218 Å²	218	99.7 Å²	99.7	82%	0.823	48%	0.483	S	S	*	.			trans	-64.3	134	170.8	-68.4	-176.8	176	-170.4	-0.8	109	N69 D70	R67-N69 PolarHBondContact O-N 3.4Å; R67-D70 PolarHBondContact O-N 3.01Å
68	S	69.8	Low	82	Confident	85 Å²	85	98.4 Å²	98.4	59%	0.594	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-27.7	-173.9	52.6	0	0	0	0	115.6	R74	S68-R74 PolarHBondContact O-NH1 3.42Å; S68-R74 VanDerWaalsContact O-NH1 3.17Å
69	N	73.4	Confident	82.2	Confident	138 Å²	138	94.6 Å²	94.6	74%	0.738	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-11	-171.6	-58.2	-0.9	0	0	0	113.8	R67 R71	R67-N69 PolarHBondContact O-N 3.4Å; N69-R71 PolarHBondContact O-N 3.04Å
70	D	81.4	Confident	82.3	Confident	70 Å²	70	98 Å²	98	37%	0.374	47%	0.474	S	S	.	.			trans	-81.1	85.1	-178.4	-161.6	-22.2	0	0	0	110.6	I66 R67 D72 L73 R74	I66-D70 HydrophobicContact CG2-CB 3.96Å; R67-D70 PolarHBondContact O-N 3.01Å; D70-D72 VanDerWaalsContact C-N 3.3Å; D70-D72 PolarHBondContact O-N 2.85Å; D70-L73 HydrophobicContact CB-CB 4.28Å; D70-L73 PolarHBondContact OD1-N 3.34Å; D70-R74 VanDerWaalsContact O-CG 3.25Å; D70-R74 WeakPolarHBondContact O-CG 3.13Å; D70-R74 PolarHBondContact O-N 2.88Å
71	R	82	Confident	82.4	Confident	209 Å²	209	95.2 Å²	95.2	79%	0.789	46%	0.456	S	S	*	.	H	α-helix	trans	-66	-32.7	-173.8	-66.1	-120.6	-89.1	-153.3	-6.2	112.2	N69 F75	N69-R71 PolarHBondContact O-N 3.04Å; R71-F75 VanDerWaalsContact O-CB 3.28Å; R71-F75 WeakPolarHBondContact O-CB 3.5Å; R71-F75 PolarHBondContact O-N 2.97Å
72	D	83.5	Confident	82.6	Confident	123 Å²	123	94.7 Å²	94.7	66%	0.658	45%	0.45	S	S	*	.	H	α-helix	trans	-70.4	-47.3	-178.8	-73.4	-23	0	0	0	111.4	D70 R74 F75 Q76	D70-D72 VanDerWaalsContact C-N 3.3Å; D70-D72 PolarHBondContact O-N 2.85Å; D72-R74 VanDerWaalsContact C-N 3.31Å; D72-R74 PolarHBondContact O-N 3.46Å; D72-F75 WeakPolarHBondContact O-CB 3.46Å; D72-F75 PolarHBondContact O-N 2.88Å; D72-Q76 PolarHBondContact O-N 3.3Å
73	L	82.7	Confident	82.8	Confident	88 Å²	88	97.7 Å²	97.7	46%	0.461	46%	0.456	S	S	.	.	H	α-helix	trans	-67.1	-36.1	-179.5	-141.1	73.4	0	0	0	111.4	I66 D70 Q76 I77	I66-L73 HydrophobicContact CD1-CB 3.95Å; I66-L73 HydrophobicContact CD1-CD2 3.73Å; I66-L73 HydrophobicContact CD1-CG 3.84Å; I66-L73 HydrophobicContact CG1-CD2 3.86Å; I66-L73 HydrophobicContact CG2-CB 4.27Å; I66-L73 HydrophobicContact CG2-CD2 4.31Å; D70-L73 HydrophobicContact CB-CB 4.28Å; D70-L73 PolarHBondContact OD1-N 3.34Å; L73-Q76 PolarHBondContact O-N 3.12Å; L73-I77 PolarHBondContact O-N 3.41Å
74	R	86.1	Confident	83	Confident	102 Å²	102	97.6 Å²	97.6	39%	0.385	46%	0.459	S	S	.	.	H	α-helix	trans	-63.5	-48	170.9	-72.5	177	60	162.3	1.5	111.8	L63 I66 S68 D70 D72 Q76 I77 Y78	L63-R74 HydrophobicContact CD2-CB 4.43Å; L63-R74 HydrophobicContact CD2-CG 3.92Å; I66-R74 HydrophobicContact CG2-CG 4.11Å; S68-R74 PolarHBondContact O-NH1 3.42Å; S68-R74 VanDerWaalsContact O-NH1 3.17Å; D70-R74 VanDerWaalsContact O-CG 3.25Å; D70-R74 WeakPolarHBondContact O-CG 3.13Å; D70-R74 PolarHBondContact O-N 2.88Å; D72-R74 VanDerWaalsContact C-N 3.31Å; D72-R74 PolarHBondContact O-N 3.46Å; R74-Q76 VanDerWaalsContact C-N 3.26Å; R74-Q76 PolarHBondContact O-N 3.45Å; R74-I77 PolarHBondContact O-N 3.42Å; R74-Y78 VanDerWaalsContact O-CD2 3.25Å; R74-Y78 WeakPolarHBondContact O-CD2 3.27Å; R74-Y78 PolarHBondContact O-N 3.26Å
75	F	86.4	Confident	83.1	Confident	91 Å²	91	92.8 Å²	92.8	40%	0.399	44%	0.438	S	S	.	.	H	α-helix	trans	-57.1	-42.9	177.8	174.3	-103.6	0	0	0	111	R71 D72 I77 Y78 K79 L107	R71-F75 VanDerWaalsContact O-CB 3.28Å; R71-F75 WeakPolarHBondContact O-CB 3.5Å; R71-F75 PolarHBondContact O-N 2.97Å; D72-F75 WeakPolarHBondContact O-CB 3.46Å; D72-F75 PolarHBondContact O-N 2.88Å; F75-I77 PolarHBondContact O-N 3.22Å; F75-Y78 PolarHBondContact O-N 2.87Å; F75-K79 HydrophobicContact CE1-CD 3.95Å; F75-K79 HydrophobicContact CZ-CD 4.34Å; F75-K79 VanDerWaalsContact O-CB 3.28Å; F75-K79 WeakPolarHBondContact O-CB 3.31Å; F75-K79 PolarHBondContact O-N 2.85Å; F75-L107 HydrophobicContact CE1-CD2 4.16Å; F75-L107 HydrophobicContact CE2-CD2 3.57Å; F75-L107 HydrophobicContact CZ-CD2 3.32Å
76	Q	87.7	Confident	83.6	Confident	80 Å²	80	85.8 Å²	85.8	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-60.4	-43.1	178.3	-174.8	60.3	25.7	0	0	113.1	D72 L73 R74 Y78 K79 E80	D72-Q76 PolarHBondContact O-N 3.3Å; L73-Q76 PolarHBondContact O-N 3.12Å; R74-Q76 VanDerWaalsContact C-N 3.26Å; R74-Q76 PolarHBondContact O-N 3.45Å; Q76-Y78 PolarHBondContact O-N 2.8Å; Q76-K79 WeakPolarHBondContact O-CB 3.42Å; Q76-K79 PolarHBondContact O-N 2.86Å; Q76-E80 PolarHBondContact NE2-OE1 3.23Å; Q76-E80 WeakPolarHBondContact O-CG 3.33Å; Q76-E80 PolarHBondContact O-N 3.45Å
77	I	86.8	Confident	83.8	Confident	25 Å²	25	89.1 Å²	89.1	13%	0.128	42%	0.415	C	S	.	.	H	α-helix	trans	-61.5	-46.6	176.1	-70.3	168.2	0	0	0	111.4	I59 G62 L63 I66 L73 R74 F75 K79 E80 A81	I59-I77 HydrophobicContact CB-CG2 4.43Å; I59-I77 HydrophobicContact CG1-CG2 4.4Å; I59-I77 HydrophobicContact CG2-CG2 4.31Å; G62-I77 WeakPolarHBondContact O-CD1 3.24Å; L63-I77 HydrophobicContact CD2-CD1 4.02Å; L63-I77 HydrophobicContact CG-CD1 4.33Å; I66-I77 HydrophobicContact CD1-CD1 3.18Å; I66-I77 HydrophobicContact CD1-CG1 4.27Å; I66-I77 HydrophobicContact CG1-CD1 4.35Å; L73-I77 PolarHBondContact O-N 3.41Å; R74-I77 PolarHBondContact O-N 3.42Å; F75-I77 PolarHBondContact O-N 3.22Å; I77-K79 VanDerWaalsContact C-N 3.28Å; I77-K79 PolarHBondContact O-N 3.33Å; I77-E80 PolarHBondContact O-N 2.77Å; I77-A81 WeakPolarHBondContact O-CB 3.35Å; I77-A81 PolarHBondContact O-N 3.44Å
78	Y	89	Confident	84.3	Confident	114 Å²	114	83.3 Å²	83.3	45%	0.447	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-35.5	179.5	-79.1	-72.9	0	0	0	111.5	I59 L63 R74 F75 Q76 A81 F82	I59-Y78 HydrophobicContact CD1-CD1 4.41Å; I59-Y78 HydrophobicContact CD1-CE1 4.37Å; I59-Y78 HydrophobicContact CG2-CD1 4.45Å; I59-Y78 HydrophobicContact CG2-CE1 3.84Å; L63-Y78 HydrophobicContact CD1-CE2 4.13Å; L63-Y78 HydrophobicContact CD2-CE2 4.4Å; R74-Y78 VanDerWaalsContact O-CD2 3.25Å; R74-Y78 WeakPolarHBondContact O-CD2 3.27Å; R74-Y78 PolarHBondContact O-N 3.26Å; F75-Y78 PolarHBondContact O-N 2.87Å; Q76-Y78 PolarHBondContact O-N 2.8Å; Y78-A81 PolarHBondContact O-N 3.06Å; Y78-F82 WeakPolarHBondContact O-CB 3.35Å; Y78-F82 PolarHBondContact O-N 2.84Å
79	K	88.2	Confident	84.8	Confident	47 Å²	47	83.3 Å²	83.3	20%	0.204	39%	0.387	C	S	.	.	H	α-helix	trans	-61.6	-50.1	174.3	-178.1	174.7	165.1	153.5	0	111.9	F75 Q76 I77 A81 F82 Q83 Y100 E104	F75-K79 HydrophobicContact CE1-CD 3.95Å; F75-K79 HydrophobicContact CZ-CD 4.34Å; F75-K79 VanDerWaalsContact O-CB 3.28Å; F75-K79 WeakPolarHBondContact O-CB 3.31Å; F75-K79 PolarHBondContact O-N 2.85Å; Q76-K79 WeakPolarHBondContact O-CB 3.42Å; Q76-K79 PolarHBondContact O-N 2.86Å; I77-K79 VanDerWaalsContact C-N 3.28Å; I77-K79 PolarHBondContact O-N 3.33Å; K79-A81 VanDerWaalsContact C-N 3.32Å; K79-A81 PolarHBondContact O-N 2.96Å; K79-F82 PolarHBondContact O-N 3.39Å; K79-Q83 WeakPolarHBondContact O-CG 3.49Å; K79-Q83 PolarHBondContact O-N 3.43Å; K79-Y100 WeakPolarHBondContact CE-OH 2.86Å; K79-Y100 HydrophobicContact CG-CE2 4.32Å; K79-Y100 WeakPolarHBondContact CG-OH 3.47Å; K79-E104 WeakPolarHBondContact CD-OE1 3.5Å; K79-E104 VanDerWaalsContact CE-OE1 3.23Å; K79-E104 WeakPolarHBondContact CE-OE1 3.42Å; K79-E104 IonicContact NZ-OE1 2.72Å; K79-E104 PolarHBondContact NZ-OE1 3.35Å; K79-E104 IonicContact NZ-OE2 3.27Å; K79-E104 PolarHBondContact NZ-OE2 3.32Å
80	E	87.6	Confident	85.1	Confident	100 Å²	100	84.9 Å²	84.9	47%	0.467	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-38.4	176.9	-73.2	173.5	-166.4	0	0	112.3	Q76 I77 S84	Q76-E80 PolarHBondContact NE2-OE1 3.23Å; Q76-E80 WeakPolarHBondContact O-CG 3.33Å; Q76-E80 PolarHBondContact O-N 3.45Å; I77-E80 PolarHBondContact O-N 2.77Å; E80-S84 WeakPolarHBondContact O-CB 3.45Å; E80-S84 PolarHBondContact O-N 3.1Å; E80-S84 PolarHBondContact O-OG 3.29Å
81	A	88.2	Confident	85.1	Confident	12 Å²	12	87.1 Å²	87.1	10%	0.099	40%	0.404	C	S	.	.	H	α-helix	trans	-65.7	-39.9	175.1	0	0	0	0	0	111.9	I59 I77 Y78 K79 S84 F85	I59-A81 HydrophobicContact CD1-CB 3.63Å; I59-A81 HydrophobicContact CG1-CB 3.49Å; I59-A81 VanDerWaalsContact CG1-CB 3.49Å; I77-A81 WeakPolarHBondContact O-CB 3.35Å; I77-A81 PolarHBondContact O-N 3.44Å; Y78-A81 PolarHBondContact O-N 3.06Å; K79-A81 VanDerWaalsContact C-N 3.32Å; K79-A81 PolarHBondContact O-N 2.96Å; A81-S84 WeakPolarHBondContact O-CB 3.34Å; A81-S84 PolarHBondContact O-N 3.33Å; A81-F85 WeakPolarHBondContact O-CB 3.26Å; A81-F85 PolarHBondContact O-N 3.46Å
82	F	88.9	Confident	85	Confident	79 Å²	79	80.3 Å²	80.3	35%	0.346	38%	0.379	S	S	.	.	H	α-helix	trans	-70.8	-38.8	177.2	-168.7	-123	0	0	0	112.3	Y78 K79 S84 F85 I86 Y100	Y78-F82 WeakPolarHBondContact O-CB 3.35Å; Y78-F82 PolarHBondContact O-N 2.84Å; K79-F82 PolarHBondContact O-N 3.39Å; F82-S84 VanDerWaalsContact C-N 3.32Å; F82-S84 PolarHBondContact O-N 2.98Å; F82-F85 HydrophobicContact CD2-CB 4.47Å; F82-F85 HydrophobicContact CD2-CD1 4.07Å; F82-F85 AromaticContact CE2-CD1 3.95Å; F82-F85 HydrophobicContact CE2-CD1 3.95Å; F82-F85 HydrophobicContact CE2-CE1 4.34Å; F82-F85 CarbonylContact O-C 3.43Å; F82-F85 WeakPolarHBondContact O-CA 3.48Å; F82-F85 VanDerWaalsContact O-CB 3.31Å; F82-F85 WeakPolarHBondContact O-CB 3.5Å; F82-F85 PolarHBondContact O-N 3.43Å; F82-F85 VanDerWaalsContact O-N 3.12Å; F82-I86 HydrophobicContact CD1-CD1 3.75Å; F82-I86 HydrophobicContact CD1-CG1 4.43Å; F82-I86 HydrophobicContact CE1-CD1 3.62Å; F82-I86 HydrophobicContact CE1-CG1 4.27Å; F82-I86 HydrophobicContact CG-CD1 4.39Å; F82-I86 HydrophobicContact CZ-CD1 4.12Å; F82-I86 HydrophobicContact CZ-CG1 4.3Å; F82-I86 VanDerWaalsContact O-CG1 3.27Å; F82-I86 WeakPolarHBondContact O-CG1 3.22Å; F82-I86 PolarHBondContact O-N 2.96Å; F82-Y100 AromaticContact CD1-CD2 3.5Å; F82-Y100 HydrophobicContact CD1-CD2 3.5Å; F82-Y100 HydrophobicContact CD1-CE2 4.08Å; F82-Y100 HydrophobicContact CD1-CG 4.19Å; F82-Y100 AromaticContact CE1-CD2 3.72Å; F82-Y100 HydrophobicContact CE1-CD2 3.72Å; F82-Y100 HydrophobicContact CE1-CG 4.16Å
83	Q	87	Confident	85	Confident	90 Å²	90	79.8 Å²	79.8	42%	0.421	37%	0.367	S	S	.	.	H	α-helix	trans	-61.4	-42.6	171.8	-74.1	-174.4	-7	0	0	111.9	K79 F85 I86 H87 Y100	K79-Q83 WeakPolarHBondContact O-CG 3.49Å; K79-Q83 PolarHBondContact O-N 3.43Å; Q83-F85 VanDerWaalsContact C-N 3.29Å; Q83-F85 PolarHBondContact O-N 3.03Å; Q83-I86 PolarHBondContact O-N 3.42Å; Q83-H87 PolarHBondContact O-N 3.09Å; Q83-Y100 HydrophobicContact CG-CE1 3.9Å; Q83-Y100 PolarHBondContact NE2-OH 3.25Å
84	S	85.9	Confident	85.1	Confident	41 Å²	41	80.5 Å²	80.5	29%	0.287	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-41.2	173.5	-60.4	0	0	0	0	110.8	F51 L55 E80 A81 F82 H87 E88	F51-S84 WeakPolarHBondContact CZ-O 3.39Å; L55-S84 VanDerWaalsContact CD2-CB 3.47Å; E80-S84 WeakPolarHBondContact O-CB 3.45Å; E80-S84 PolarHBondContact O-N 3.1Å; E80-S84 PolarHBondContact O-OG 3.29Å; A81-S84 WeakPolarHBondContact O-CB 3.34Å; A81-S84 PolarHBondContact O-N 3.33Å; F82-S84 VanDerWaalsContact C-N 3.32Å; F82-S84 PolarHBondContact O-N 2.98Å; S84-H87 WeakPolarHBondContact O-CB 3.19Å; S84-H87 PolarHBondContact O-N 3.44Å; S84-E88 PolarHBondContact O-N 2.86Å
85	F	86.7	Confident	85.1	Confident	50 Å²	50	80.7 Å²	80.7	22%	0.219	38%	0.379	C	S	.	.	H	α-helix	trans	-59.9	-49.4	175.1	176.8	-91.8	0	0	0	111.9	F51 L52 L55 A81 F82 Q83 H87 E88 F89 L96	F51-F85 HydrophobicContact CE1-CD2 4.41Å; L52-F85 HydrophobicContact CD2-CD2 3.68Å; L52-F85 HydrophobicContact CD2-CE2 3.77Å; L55-F85 HydrophobicContact CD1-CB 3.86Å; L55-F85 HydrophobicContact CD1-CD2 4.3Å; A81-F85 WeakPolarHBondContact O-CB 3.26Å; A81-F85 PolarHBondContact O-N 3.46Å; F82-F85 HydrophobicContact CD2-CB 4.47Å; F82-F85 HydrophobicContact CD2-CD1 4.07Å; F82-F85 AromaticContact CE2-CD1 3.95Å; F82-F85 HydrophobicContact CE2-CD1 3.95Å; F82-F85 HydrophobicContact CE2-CE1 4.34Å; F82-F85 CarbonylContact O-C 3.43Å; F82-F85 WeakPolarHBondContact O-CA 3.48Å; F82-F85 VanDerWaalsContact O-CB 3.31Å; F82-F85 WeakPolarHBondContact O-CB 3.5Å; F82-F85 PolarHBondContact O-N 3.43Å; F82-F85 VanDerWaalsContact O-N 3.12Å; Q83-F85 VanDerWaalsContact C-N 3.29Å; Q83-F85 PolarHBondContact O-N 3.03Å; F85-H87 VanDerWaalsContact C-N 3.27Å; F85-H87 PolarHBondContact O-N 3.22Å; F85-E88 PolarHBondContact O-N 3.49Å; F85-F89 HydrophobicContact CD1-CD2 4.07Å; F85-F89 HydrophobicContact CD1-CE2 4.32Å; F85-F89 HydrophobicContact CD2-CD2 4.09Å; F85-F89 AromaticContact CD2-CE2 3.74Å; F85-F89 HydrophobicContact CD2-CE2 3.74Å; F85-F89 AromaticContact CE1-CD2 3.78Å; F85-F89 HydrophobicContact CE1-CD2 3.78Å; F85-F89 AromaticContact CE1-CE2 3.78Å; F85-F89 HydrophobicContact CE1-CE2 3.78Å; F85-F89 HydrophobicContact CE1-CG 4.36Å; F85-F89 HydrophobicContact CE1-CZ 4.33Å; F85-F89 AromaticContact CE2-CD2 3.83Å; F85-F89 HydrophobicContact CE2-CD2 3.83Å; F85-F89 AromaticContact CE2-CE2 3.13Å; F85-F89 HydrophobicContact CE2-CE2 3.13Å; F85-F89 AromaticContact CE2-CZ 3.8Å; F85-F89 HydrophobicContact CE2-CZ 3.8Å; F85-F89 HydrophobicContact CG-CD2 4.21Å; F85-F89 HydrophobicContact CG-CE2 4.3Å; F85-F89 AromaticContact CZ-CD2 3.65Å; F85-F89 HydrophobicContact CZ-CD2 3.65Å; F85-F89 HydrophobicContact CZ-CE1 4.34Å; F85-F89 AromaticContact CZ-CE2 3.14Å; F85-F89 HydrophobicContact CZ-CE2 3.14Å; F85-F89 HydrophobicContact CZ-CG 4.44Å; F85-F89 AromaticContact CZ-CZ 3.52Å; F85-F89 HydrophobicContact CZ-CZ 3.52Å; F85-F89 WeakPolarHBondContact O-CD2 3.33Å; F85-F89 PolarHBondContact O-N 3.48Å; F85-L96 HydrophobicContact CE1-CD1 4.13Å
86	I	85.8	Confident	85.1	Confident	6 Å²	6	77.9 Å²	77.9	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-59.6	-39.1	177.9	-65.3	167.4	0	0	0	111.4	F82 Q83 E88 F89 R93 L96 S97 Y100	F82-I86 HydrophobicContact CD1-CD1 3.75Å; F82-I86 HydrophobicContact CD1-CG1 4.43Å; F82-I86 HydrophobicContact CE1-CD1 3.62Å; F82-I86 HydrophobicContact CE1-CG1 4.27Å; F82-I86 HydrophobicContact CG-CD1 4.39Å; F82-I86 HydrophobicContact CZ-CD1 4.12Å; F82-I86 HydrophobicContact CZ-CG1 4.3Å; F82-I86 VanDerWaalsContact O-CG1 3.27Å; F82-I86 WeakPolarHBondContact O-CG1 3.22Å; F82-I86 PolarHBondContact O-N 2.96Å; Q83-I86 PolarHBondContact O-N 3.42Å; I86-E88 VanDerWaalsContact C-N 3.32Å; I86-E88 PolarHBondContact O-N 2.93Å; I86-F89 PolarHBondContact O-N 3.46Å; I86-R93 HydrophobicContact CG2-CG 4.05Å; I86-L96 HydrophobicContact CD1-CB 4.49Å; I86-L96 HydrophobicContact CG1-CB 3.95Å; I86-L96 HydrophobicContact CG2-CB 4.18Å; I86-S97 VanDerWaalsContact CG2-OG 3.24Å; I86-S97 WeakPolarHBondContact CG2-OG 3.31Å; I86-Y100 HydrophobicContact CD1-CD1 4.25Å; I86-Y100 HydrophobicContact CD1-CD2 4.45Å; I86-Y100 HydrophobicContact CD1-CG 3.85Å
87	H	82.5	Confident	85	Confident	103 Å²	103	76.1 Å²	76.1	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-38.5	-179.8	-170.6	83.4	0	0	0	112.9	Q83 S84 F85 R93	Q83-H87 PolarHBondContact O-N 3.09Å; S84-H87 WeakPolarHBondContact O-CB 3.19Å; S84-H87 PolarHBondContact O-N 3.44Å; F85-H87 VanDerWaalsContact C-N 3.27Å; F85-H87 PolarHBondContact O-N 3.22Å; H87-R93 PolarHBondContact ND1-NH2 3.48Å
88	E	81.5	Confident	85.1	Confident	97 Å²	97	79.5 Å²	79.5	45%	0.453	38%	0.383	S	S	.	.	H	α-helix	trans	-77.2	-25.9	177.7	-69.1	-60.3	153	0	0	113.6	F51 S84 F85 I86 K90	F51-E88 HydrophobicContact CD1-CB 4.02Å; F51-E88 HydrophobicContact CD1-CG 3.85Å; F51-E88 HydrophobicContact CD2-CG 3.55Å; F51-E88 HydrophobicContact CE1-CB 3.71Å; F51-E88 HydrophobicContact CE1-CG 3.56Å; F51-E88 HydrophobicContact CE2-CB 4.31Å; F51-E88 HydrophobicContact CE2-CG 3.25Å; F51-E88 HydrophobicContact CG-CB 4.42Å; F51-E88 HydrophobicContact CG-CG 3.82Å; F51-E88 HydrophobicContact CZ-CB 3.85Å; F51-E88 HydrophobicContact CZ-CG 3.23Å; S84-E88 PolarHBondContact O-N 2.86Å; F85-E88 PolarHBondContact O-N 3.49Å; I86-E88 VanDerWaalsContact C-N 3.32Å; I86-E88 PolarHBondContact O-N 2.93Å; E88-K90 PolarHBondContact O-N 2.87Å
89	F	80.9	Confident	85.2	Confident	84 Å²	84	77 Å²	77	37%	0.368	38%	0.377	S	S	.	.			trans	-77.8	61.5	179.6	-92.5	-97	0	0	0	112.8	F85 I86 T91 Y92 R93 L96	F85-F89 HydrophobicContact CD1-CD2 4.07Å; F85-F89 HydrophobicContact CD1-CE2 4.32Å; F85-F89 HydrophobicContact CD2-CD2 4.09Å; F85-F89 AromaticContact CD2-CE2 3.74Å; F85-F89 HydrophobicContact CD2-CE2 3.74Å; F85-F89 AromaticContact CE1-CD2 3.78Å; F85-F89 HydrophobicContact CE1-CD2 3.78Å; F85-F89 AromaticContact CE1-CE2 3.78Å; F85-F89 HydrophobicContact CE1-CE2 3.78Å; F85-F89 HydrophobicContact CE1-CG 4.36Å; F85-F89 HydrophobicContact CE1-CZ 4.33Å; F85-F89 AromaticContact CE2-CD2 3.83Å; F85-F89 HydrophobicContact CE2-CD2 3.83Å; F85-F89 AromaticContact CE2-CE2 3.13Å; F85-F89 HydrophobicContact CE2-CE2 3.13Å; F85-F89 AromaticContact CE2-CZ 3.8Å; F85-F89 HydrophobicContact CE2-CZ 3.8Å; F85-F89 HydrophobicContact CG-CD2 4.21Å; F85-F89 HydrophobicContact CG-CE2 4.3Å; F85-F89 AromaticContact CZ-CD2 3.65Å; F85-F89 HydrophobicContact CZ-CD2 3.65Å; F85-F89 HydrophobicContact CZ-CE1 4.34Å; F85-F89 AromaticContact CZ-CE2 3.14Å; F85-F89 HydrophobicContact CZ-CE2 3.14Å; F85-F89 HydrophobicContact CZ-CG 4.44Å; F85-F89 AromaticContact CZ-CZ 3.52Å; F85-F89 HydrophobicContact CZ-CZ 3.52Å; F85-F89 WeakPolarHBondContact O-CD2 3.33Å; F85-F89 PolarHBondContact O-N 3.48Å; I86-F89 PolarHBondContact O-N 3.46Å; F89-T91 VanDerWaalsContact C-N 3.27Å; F89-T91 PolarHBondContact O-N 3.37Å; F89-Y92 CarbonylContact O-C 3.13Å; F89-Y92 PolarHBondContact O-N 3.38Å; F89-Y92 VanDerWaalsContact O-N 3.12Å; F89-R93 WeakPolarHBondContact O-CA 3.35Å; F89-R93 WeakPolarHBondContact O-CB 3.43Å; F89-R93 PolarHBondContact O-N 3.4Å; F89-L96 HydrophobicContact CB-CD1 3.95Å; F89-L96 HydrophobicContact CD1-CD1 4.45Å; F89-L96 HydrophobicContact CG-CD1 4.21Å
90	K	78.6	Confident	85.3	Confident	172 Å²	172	76.3 Å²	76.3	75%	0.748	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-47.9	-42.1	-173.1	-62.9	-179.7	-175.6	178.1	0	114.7	E88	E88-K90 PolarHBondContact O-N 2.87Å
91	T	80.6	Confident	85.4	Confident	117 Å²	117	77.2 Å²	77.2	72%	0.718	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-69	-35.3	-175.6	-47.5	0	0	0	0	113.7	F89	F89-T91 VanDerWaalsContact C-N 3.27Å; F89-T91 PolarHBondContact O-N 3.37Å
92	Y	81.2	Confident	85.6	Confident	66 Å²	66	82.6 Å²	82.6	26%	0.259	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-116.4	15.5	-177.2	-58.1	-71.4	0	0	0	112.3	W11 P12 F89 T94 F95 L96	W11-Y92 HydrophobicContact CZ2-CE1 4.46Å; P12-Y92 WeakPolarHBondContact CD-OH 3.45Å; P12-Y92 WeakPolarHBondContact CG-OH 3.25Å; F89-Y92 CarbonylContact O-C 3.13Å; F89-Y92 PolarHBondContact O-N 3.38Å; F89-Y92 VanDerWaalsContact O-N 3.12Å; Y92-T94 VanDerWaalsContact C-N 3.31Å; Y92-T94 PolarHBondContact O-N 3.22Å; Y92-F95 PolarHBondContact O-N 3.22Å; Y92-L96 PolarHBondContact O-N 2.85Å
93	R	83.2	Confident	85.7	Confident	112 Å²	112	86.2 Å²	86.2	42%	0.423	41%	0.411	S	S	.	.	H	α-helix	trans	-57.3	-45.5	-173.2	-179.6	174.3	176.2	-169.5	-2.1	111.3	I86 H87 F89 S97	I86-R93 HydrophobicContact CG2-CG 4.05Å; H87-R93 PolarHBondContact ND1-NH2 3.48Å; F89-R93 WeakPolarHBondContact O-CA 3.35Å; F89-R93 WeakPolarHBondContact O-CB 3.43Å; F89-R93 PolarHBondContact O-N 3.4Å; R93-S97 WeakPolarHBondContact O-CB 3.07Å; R93-S97 PolarHBondContact O-N 3.46Å; R93-S97 PolarHBondContact O-OG 2.83Å; R93-S97 VanDerWaalsContact O-OG 3.04Å
94	T	84.8	Confident	85.9	Confident	103 Å²	103	84 Å²	84	63%	0.632	40%	0.401	S	S	*	.	H	α-helix	trans	-59.8	-53.9	177.8	50.2	0	0	0	0	110.7	Y92 L96 S97 D98	Y92-T94 VanDerWaalsContact C-N 3.31Å; Y92-T94 PolarHBondContact O-N 3.22Å; T94-L96 PolarHBondContact O-N 2.85Å; T94-S97 WeakPolarHBondContact O-CB 3.11Å; T94-S97 PolarHBondContact O-N 3.37Å; T94-D98 WeakPolarHBondContact O-CB 3.42Å; T94-D98 PolarHBondContact O-N 2.96Å
95	F	85.6	Confident	86.1	Confident	105 Å²	105	87 Å²	87	46%	0.461	41%	0.41	S	S	.	.	H	α-helix	trans	-57.5	-46.9	178.7	176.2	-107.6	0	0	0	113.7	Y92 D98 I99	Y92-F95 PolarHBondContact O-N 3.22Å; F95-D98 PolarHBondContact O-N 2.65Å; F95-I99 HydrophobicContact CD1-CD1 3.97Å; F95-I99 HydrophobicContact CD2-CD1 4.41Å; F95-I99 HydrophobicContact CE1-CD1 3.39Å; F95-I99 HydrophobicContact CE2-CD1 3.89Å; F95-I99 HydrophobicContact CE2-CG1 4.43Å; F95-I99 HydrophobicContact CG-CD1 4.46Å; F95-I99 HydrophobicContact CZ-CD1 3.37Å; F95-I99 HydrophobicContact CZ-CG1 4.36Å; F95-I99 WeakPolarHBondContact O-CG1 3.23Å; F95-I99 PolarHBondContact O-N 2.93Å
96	L	86.7	Confident	86.4	Confident	33 Å²	33	90.7 Å²	90.7	17%	0.173	42%	0.423	C	S	.	.	H	α-helix	trans	-69.9	-36.2	178.3	-68.8	174	0	0	0	112.1	F85 I86 F89 Y92 T94 D98 Y100	F85-L96 HydrophobicContact CE1-CD1 4.13Å; I86-L96 HydrophobicContact CD1-CB 4.49Å; I86-L96 HydrophobicContact CG1-CB 3.95Å; I86-L96 HydrophobicContact CG2-CB 4.18Å; F89-L96 HydrophobicContact CB-CD1 3.95Å; F89-L96 HydrophobicContact CD1-CD1 4.45Å; F89-L96 HydrophobicContact CG-CD1 4.21Å; Y92-L96 PolarHBondContact O-N 2.85Å; T94-L96 PolarHBondContact O-N 2.85Å; L96-D98 VanDerWaalsContact C-N 3.31Å; L96-Y100 WeakPolarHBondContact O-CB 3.3Å; L96-Y100 PolarHBondContact O-N 3.38Å
97	S	86.7	Confident	86.5	Confident	43 Å²	43	93.9 Å²	93.9	30%	0.301	44%	0.44	S	S	.	.	H	α-helix	trans	-62.3	-39.5	171.6	-77.9	0	0	0	0	111.6	I86 R93 T94 Y100 K101	I86-S97 VanDerWaalsContact CG2-OG 3.24Å; I86-S97 WeakPolarHBondContact CG2-OG 3.31Å; R93-S97 WeakPolarHBondContact O-CB 3.07Å; R93-S97 PolarHBondContact O-N 3.46Å; R93-S97 PolarHBondContact O-OG 2.83Å; R93-S97 VanDerWaalsContact O-OG 3.04Å; T94-S97 WeakPolarHBondContact O-CB 3.11Å; T94-S97 PolarHBondContact O-N 3.37Å; S97-Y100 PolarHBondContact O-N 3.21Å; S97-K101 VanDerWaalsContact O-CB 3.22Å; S97-K101 WeakPolarHBondContact O-CB 3.43Å; S97-K101 PolarHBondContact O-N 3.28Å
98	D	88.7	Confident	87	Confident	95 Å²	95	90.8 Å²	90.8	51%	0.508	44%	0.436	S	S	.	.	H	α-helix	trans	-66.1	-48.4	178.1	-65.2	-23.5	0	0	0	110.7	T94 F95 L96 Y100 K101 E102	T94-D98 WeakPolarHBondContact O-CB 3.42Å; T94-D98 PolarHBondContact O-N 2.96Å; F95-D98 PolarHBondContact O-N 2.65Å; L96-D98 VanDerWaalsContact C-N 3.31Å; D98-Y100 VanDerWaalsContact C-N 3.32Å; D98-Y100 PolarHBondContact O-N 3.44Å; D98-K101 WeakPolarHBondContact O-CB 3.28Å; D98-K101 PolarHBondContact O-N 3.24Å; D98-E102 WeakPolarHBondContact O-CG 3.25Å; D98-E102 PolarHBondContact O-N 3.18Å
99	I	89.5	Confident	87.5	Confident	62 Å²	62	91.5 Å²	91.5	32%	0.318	44%	0.438	S	S	.	.	H	α-helix	trans	-57.2	-47.5	173.9	-70.2	172.2	0	0	0	111	F95 K101 E102 Y103	F95-I99 HydrophobicContact CD1-CD1 3.97Å; F95-I99 HydrophobicContact CD2-CD1 4.41Å; F95-I99 HydrophobicContact CE1-CD1 3.39Å; F95-I99 HydrophobicContact CE2-CD1 3.89Å; F95-I99 HydrophobicContact CE2-CG1 4.43Å; F95-I99 HydrophobicContact CG-CD1 4.46Å; F95-I99 HydrophobicContact CZ-CD1 3.37Å; F95-I99 HydrophobicContact CZ-CG1 4.36Å; F95-I99 WeakPolarHBondContact O-CG1 3.23Å; F95-I99 PolarHBondContact O-N 2.93Å; I99-K101 VanDerWaalsContact C-N 3.31Å; I99-K101 PolarHBondContact O-N 3.39Å; I99-E102 PolarHBondContact O-N 2.76Å; I99-Y103 HydrophobicContact CG2-CD2 3.74Å; I99-Y103 HydrophobicContact CG2-CE2 3.68Å; I99-Y103 VanDerWaalsContact O-CD2 3.26Å; I99-Y103 WeakPolarHBondContact O-CD2 3.25Å; I99-Y103 PolarHBondContact O-N 2.92Å; I99-Y103 VanDerWaalsContact O-N 3.1Å
100	Y	90.9	Very high	87.9	Confident	33 Å²	33	93.7 Å²	93.7	13%	0.129	45%	0.445	C	S	.	.	H	α-helix	trans	-61.1	-42.5	179.8	173.8	-109.7	0	0	0	111.9	K79 F82 Q83 I86 L96 S97 D98 Y103 E104	K79-Y100 WeakPolarHBondContact CE-OH 2.86Å; K79-Y100 HydrophobicContact CG-CE2 4.32Å; K79-Y100 WeakPolarHBondContact CG-OH 3.47Å; F82-Y100 AromaticContact CD1-CD2 3.5Å; F82-Y100 HydrophobicContact CD1-CD2 3.5Å; F82-Y100 HydrophobicContact CD1-CE2 4.08Å; F82-Y100 HydrophobicContact CD1-CG 4.19Å; F82-Y100 AromaticContact CE1-CD2 3.72Å; F82-Y100 HydrophobicContact CE1-CD2 3.72Å; F82-Y100 HydrophobicContact CE1-CG 4.16Å; Q83-Y100 HydrophobicContact CG-CE1 3.9Å; Q83-Y100 PolarHBondContact NE2-OH 3.25Å; I86-Y100 HydrophobicContact CD1-CD1 4.25Å; I86-Y100 HydrophobicContact CD1-CD2 4.45Å; I86-Y100 HydrophobicContact CD1-CG 3.85Å; L96-Y100 WeakPolarHBondContact O-CB 3.3Å; L96-Y100 PolarHBondContact O-N 3.38Å; S97-Y100 PolarHBondContact O-N 3.21Å; D98-Y100 VanDerWaalsContact C-N 3.32Å; D98-Y100 PolarHBondContact O-N 3.44Å; Y100-Y103 PolarHBondContact O-N 2.85Å; Y100-E104 HydrophobicContact CD1-CG 4.35Å; Y100-E104 HydrophobicContact CD2-CG 4.13Å; Y100-E104 HydrophobicContact CE1-CG 3.84Å; Y100-E104 HydrophobicContact CE2-CG 3.56Å; Y100-E104 VanDerWaalsContact CE2-OE1 3.31Å; Y100-E104 WeakPolarHBondContact CE2-OE1 3.38Å; Y100-E104 HydrophobicContact CG-CG 4.48Å; Y100-E104 VanDerWaalsContact CZ-OE1 3.32Å; Y100-E104 WeakPolarHBondContact O-CB 3.46Å; Y100-E104 WeakPolarHBondContact O-CG 3.39Å; Y100-E104 PolarHBondContact O-N 3.3Å; Y100-E104 VanDerWaalsContact OH-CD 3.26Å; Y100-E104 WeakPolarHBondContact OH-CG 3.45Å; Y100-E104 PolarHBondContact OH-OE1 2.84Å
101	K	90.1	Very high	88.4	Confident	118 Å²	118	91.9 Å²	91.9	51%	0.513	44%	0.437	S	S	.	.	H	α-helix	trans	-61.3	-45.7	177.1	-178.5	-176.9	166.6	-169.2	0	111.2	S97 D98 I99 Y103 E104 E105	S97-K101 VanDerWaalsContact O-CB 3.22Å; S97-K101 WeakPolarHBondContact O-CB 3.43Å; S97-K101 PolarHBondContact O-N 3.28Å; D98-K101 WeakPolarHBondContact O-CB 3.28Å; D98-K101 PolarHBondContact O-N 3.24Å; I99-K101 VanDerWaalsContact C-N 3.31Å; I99-K101 PolarHBondContact O-N 3.39Å; K101-Y103 PolarHBondContact O-N 2.91Å; K101-E104 PolarHBondContact O-N 3.48Å; K101-E105 WeakPolarHBondContact CE-OE1 3.49Å; K101-E105 HydrophobicContact CG-CG 4.45Å; K101-E105 IonicContact NZ-OE1 2.72Å; K101-E105 WeakPolarHBondContact O-CB 3.23Å; K101-E105 WeakPolarHBondContact O-CG 3.21Å; K101-E105 PolarHBondContact O-N 2.79Å
102	E	92.5	Very high	88.8	Confident	125 Å²	125	88.4 Å²	88.4	58%	0.584	42%	0.42	S	S	*	.	H	α-helix	trans	-58.7	-46.1	176.2	-73.6	-66.1	149.1	0	0	112.1	D98 I99 E104 E105 Y106	D98-E102 WeakPolarHBondContact O-CG 3.25Å; D98-E102 PolarHBondContact O-N 3.18Å; I99-E102 PolarHBondContact O-N 2.76Å; E102-E104 PolarHBondContact O-N 3.13Å; E102-E105 PolarHBondContact O-N 3.17Å; E102-Y106 WeakPolarHBondContact O-CB 3.46Å; E102-Y106 PolarHBondContact O-N 3.48Å
103	Y	91.5	Very high	89.1	Confident	156 Å²	156	88.8 Å²	88.8	61%	0.612	42%	0.424	S	S	*	.	H	α-helix	trans	-64.7	-38.9	176.1	-81.6	-70.2	0	0	0	112.6	I99 Y100 K101 Y106 L107	I99-Y103 HydrophobicContact CG2-CD2 3.74Å; I99-Y103 HydrophobicContact CG2-CE2 3.68Å; I99-Y103 VanDerWaalsContact O-CD2 3.26Å; I99-Y103 WeakPolarHBondContact O-CD2 3.25Å; I99-Y103 PolarHBondContact O-N 2.92Å; I99-Y103 VanDerWaalsContact O-N 3.1Å; Y100-Y103 PolarHBondContact O-N 2.85Å; K101-Y103 PolarHBondContact O-N 2.91Å; Y103-Y106 PolarHBondContact O-N 3.29Å; Y103-L107 WeakPolarHBondContact O-CB 3.28Å; Y103-L107 VanDerWaalsContact O-CD1 3.23Å; Y103-L107 WeakPolarHBondContact O-CD1 3.41Å; Y103-L107 PolarHBondContact O-N 3.2Å
104	E	89.3	Confident	89.3	Confident	44 Å²	44	86.1 Å²	86.1	21%	0.206	43%	0.426	C	S	.	.	H	α-helix	trans	-67.8	-39.1	176.8	-76.2	-73	164.4	0	0	112.4	K79 Y100 K101 E102 Y106 L107 G108	K79-E104 WeakPolarHBondContact CD-OE1 3.5Å; K79-E104 VanDerWaalsContact CE-OE1 3.23Å; K79-E104 WeakPolarHBondContact CE-OE1 3.42Å; K79-E104 IonicContact NZ-OE1 2.72Å; K79-E104 PolarHBondContact NZ-OE1 3.35Å; K79-E104 IonicContact NZ-OE2 3.27Å; K79-E104 PolarHBondContact NZ-OE2 3.32Å; Y100-E104 HydrophobicContact CD1-CG 4.35Å; Y100-E104 HydrophobicContact CD2-CG 4.13Å; Y100-E104 HydrophobicContact CE1-CG 3.84Å; Y100-E104 HydrophobicContact CE2-CG 3.56Å; Y100-E104 VanDerWaalsContact CE2-OE1 3.31Å; Y100-E104 WeakPolarHBondContact CE2-OE1 3.38Å; Y100-E104 HydrophobicContact CG-CG 4.48Å; Y100-E104 VanDerWaalsContact CZ-OE1 3.32Å; Y100-E104 WeakPolarHBondContact O-CB 3.46Å; Y100-E104 WeakPolarHBondContact O-CG 3.39Å; Y100-E104 PolarHBondContact O-N 3.3Å; Y100-E104 VanDerWaalsContact OH-CD 3.26Å; Y100-E104 WeakPolarHBondContact OH-CG 3.45Å; Y100-E104 PolarHBondContact OH-OE1 2.84Å; K101-E104 PolarHBondContact O-N 3.48Å; E102-E104 PolarHBondContact O-N 3.13Å; E104-Y106 VanDerWaalsContact C-N 3.32Å; E104-L107 PolarHBondContact O-N 3Å; E104-G108 PolarHBondContact O-N 3.37Å
105	E	91.8	Very high	89.5	Confident	103 Å²	103	86.5 Å²	86.5	48%	0.481	42%	0.421	S	S	.	.	H	α-helix	trans	-62.5	-42.6	173.1	-75.6	-177.4	-175.4	0	0	110.5	K101 E102 G108 F109	K101-E105 WeakPolarHBondContact CE-OE1 3.49Å; K101-E105 HydrophobicContact CG-CG 4.45Å; K101-E105 IonicContact NZ-OE1 2.72Å; K101-E105 WeakPolarHBondContact O-CB 3.23Å; K101-E105 WeakPolarHBondContact O-CG 3.21Å; K101-E105 PolarHBondContact O-N 2.79Å; E102-E105 PolarHBondContact O-N 3.17Å; E105-G108 PolarHBondContact O-N 2.83Å; E105-F109 WeakPolarHBondContact O-CB 3.47Å; E105-F109 PolarHBondContact O-N 3.43Å
106	Y	92.2	Very high	89.5	Confident	127 Å²	127	87.4 Å²	87.4	50%	0.498	42%	0.424	S	S	.	.	H	α-helix	trans	-67.5	-41.8	177.2	-162.8	-113.5	0	0	0	113.2	E102 Y103 E104 G108 F109 Y110	E102-Y106 WeakPolarHBondContact O-CB 3.46Å; E102-Y106 PolarHBondContact O-N 3.48Å; Y103-Y106 PolarHBondContact O-N 3.29Å; E104-Y106 VanDerWaalsContact C-N 3.32Å; Y106-G108 VanDerWaalsContact C-N 3.33Å; Y106-F109 WeakPolarHBondContact O-CB 3.28Å; Y106-F109 PolarHBondContact O-N 3.21Å; Y106-Y110 HydrophobicContact CD1-CD2 4.2Å; Y106-Y110 HydrophobicContact CD1-CE2 4.03Å; Y106-Y110 HydrophobicContact CE1-CD2 4.05Å; Y106-Y110 AromaticContact CE1-CE2 3.42Å; Y106-Y110 HydrophobicContact CE1-CE2 3.42Å; Y106-Y110 VanDerWaalsContact CE1-CE2 3.42Å; Y106-Y110 HydrophobicContact CE2-CE2 4.12Å; Y106-Y110 AromaticContact CZ-CE2 3.45Å; Y106-Y110 VanDerWaalsContact CZ-CE2 3.45Å; Y106-Y110 WeakPolarHBondContact O-CD2 3.48Å; Y106-Y110 PolarHBondContact O-N 3.37Å; Y106-Y110 VanDerWaalsContact O-N 3.13Å; Y106-Y110 PolarHBondContact OH-OH 3.44Å
107	L	88.7	Confident	89.5	Confident	74 Å²	74	91.1 Å²	91.1	39%	0.387	44%	0.444	S	S	.	.	H	α-helix	trans	-65.6	-38.7	172.5	-96.9	74.2	0	0	0	111.4	F75 Y103 E104 F109 Y110 K111	F75-L107 HydrophobicContact CE1-CD2 4.16Å; F75-L107 HydrophobicContact CE2-CD2 3.57Å; F75-L107 HydrophobicContact CZ-CD2 3.32Å; Y103-L107 WeakPolarHBondContact O-CB 3.28Å; Y103-L107 VanDerWaalsContact O-CD1 3.23Å; Y103-L107 WeakPolarHBondContact O-CD1 3.41Å; Y103-L107 PolarHBondContact O-N 3.2Å; E104-L107 PolarHBondContact O-N 3Å; L107-F109 VanDerWaalsContact C-N 3.32Å; L107-Y110 PolarHBondContact O-N 2.82Å; L107-K111 WeakPolarHBondContact O-CB 3.34Å; L107-K111 PolarHBondContact O-N 3.37Å
108	G	91.3	Very high	89.5	Confident	37 Å²	37	95.2 Å²	95.2	38%	0.381	45%	0.452	S	S	.	.	H	α-helix	trans	-60	-43.2	174.1	0	0	0	0	0	111.7	E104 E105 Y106 K111 A112	E104-G108 PolarHBondContact O-N 3.37Å; E105-G108 PolarHBondContact O-N 2.83Å; Y106-G108 VanDerWaalsContact C-N 3.33Å; G108-K111 PolarHBondContact O-N 2.88Å; G108-A112 WeakPolarHBondContact O-CB 3.45Å; G108-A112 PolarHBondContact O-N 3.02Å
109	F	92.6	Very high	89.4	Confident	113 Å²	113	91.9 Å²	91.9	50%	0.496	44%	0.436	S	S	.	.	H	α-helix	trans	-57.8	-51.4	173.9	174	-95	0	0	0	111.8	E105 Y106 L107 K111 A112 E113	E105-F109 WeakPolarHBondContact O-CB 3.47Å; E105-F109 PolarHBondContact O-N 3.43Å; Y106-F109 WeakPolarHBondContact O-CB 3.28Å; Y106-F109 PolarHBondContact O-N 3.21Å; L107-F109 VanDerWaalsContact C-N 3.32Å; F109-K111 PolarHBondContact O-N 2.87Å; F109-A112 WeakPolarHBondContact O-CB 3.48Å; F109-A112 PolarHBondContact O-N 3.27Å; F109-E113 WeakPolarHBondContact O-CB 3.5Å; F109-E113 PolarHBondContact O-N 3.46Å
110	Y	89.3	Confident	89.3	Confident	130 Å²	130	93.3 Å²	93.3	51%	0.51	45%	0.447	S	S	.	.	H	α-helix	trans	-66.5	-36	178.2	-84.7	-69.2	0	0	0	113.6	Y106 L107 A112 E113 A114	Y106-Y110 HydrophobicContact CD1-CD2 4.2Å; Y106-Y110 HydrophobicContact CD1-CE2 4.03Å; Y106-Y110 HydrophobicContact CE1-CD2 4.05Å; Y106-Y110 AromaticContact CE1-CE2 3.42Å; Y106-Y110 HydrophobicContact CE1-CE2 3.42Å; Y106-Y110 VanDerWaalsContact CE1-CE2 3.42Å; Y106-Y110 HydrophobicContact CE2-CE2 4.12Å; Y106-Y110 AromaticContact CZ-CE2 3.45Å; Y106-Y110 VanDerWaalsContact CZ-CE2 3.45Å; Y106-Y110 WeakPolarHBondContact O-CD2 3.48Å; Y106-Y110 PolarHBondContact O-N 3.37Å; Y106-Y110 VanDerWaalsContact O-N 3.13Å; Y106-Y110 PolarHBondContact OH-OH 3.44Å; L107-Y110 PolarHBondContact O-N 2.82Å; Y110-A112 VanDerWaalsContact C-N 3.32Å; Y110-E113 PolarHBondContact O-N 3.31Å; Y110-A114 VanDerWaalsContact O-CB 3.32Å; Y110-A114 WeakPolarHBondContact O-CB 3.32Å; Y110-A114 PolarHBondContact O-N 2.89Å
111	K	88.7	Confident	89.1	Confident	134 Å²	134	96 Å²	96	58%	0.583	46%	0.46	S	S	*	.	H	α-helix	trans	-64.5	-41.3	175.4	-171	174.4	-176.2	173	0	110.8	L107 G108 F109 Q115	L107-K111 WeakPolarHBondContact O-CB 3.34Å; L107-K111 PolarHBondContact O-N 3.37Å; G108-K111 PolarHBondContact O-N 2.88Å; F109-K111 PolarHBondContact O-N 2.87Å; K111-Q115 WeakPolarHBondContact O-CB 3.44Å; K111-Q115 VanDerWaalsContact O-CG 3.3Å; K111-Q115 WeakPolarHBondContact O-CG 3.34Å; K111-Q115 PolarHBondContact O-N 3.08Å
112	A	88.6	Confident	89	Confident	44 Å²	44	92.8 Å²	92.8	36%	0.364	45%	0.447	S	S	.	.	H	α-helix	trans	-64.1	-42.8	173.7	0	0	0	0	0	111.2	G108 F109 Y110 Q115 K116	G108-A112 WeakPolarHBondContact O-CB 3.45Å; G108-A112 PolarHBondContact O-N 3.02Å; F109-A112 WeakPolarHBondContact O-CB 3.48Å; F109-A112 PolarHBondContact O-N 3.27Å; Y110-A112 VanDerWaalsContact C-N 3.32Å; A112-Q115 WeakPolarHBondContact O-CB 3.3Å; A112-Q115 PolarHBondContact O-N 3.07Å; A112-K116 WeakPolarHBondContact O-CG 3.47Å; A112-K116 PolarHBondContact O-N 2.72Å
113	E	89.3	Confident	88.8	Confident	73 Å²	73	91 Å²	91	34%	0.341	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-43.6	177.3	-159.6	60.5	-146.6	0	0	112.1	F109 Y110 Q115 K116 L117	F109-E113 WeakPolarHBondContact O-CB 3.5Å; F109-E113 PolarHBondContact O-N 3.46Å; Y110-E113 PolarHBondContact O-N 3.31Å; E113-Q115 VanDerWaalsContact C-N 3.28Å; E113-Q115 PolarHBondContact O-N 3.2Å; E113-K116 WeakPolarHBondContact O-CB 3.37Å; E113-K116 PolarHBondContact O-N 3.37Å; E113-K116 VanDerWaalsContact O-N 3.08Å; E113-K116 IonicContact OE1-NZ 3.27Å; E113-K116 IonicContact OE2-NZ 3.18Å; E113-K116 PolarHBondContact OE2-NZ 2.99Å; E113-L117 PolarHBondContact O-N 3.24Å
114	A	87	Confident	88.7	Confident	56 Å²	56	89.1 Å²	89.1	46%	0.463	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-34.1	174.5	0	0	0	0	0	112.3	Y110 K116 L117	Y110-A114 VanDerWaalsContact O-CB 3.32Å; Y110-A114 WeakPolarHBondContact O-CB 3.32Å; Y110-A114 PolarHBondContact O-N 2.89Å; A114-K116 VanDerWaalsContact C-N 3.34Å; A114-L117 PolarHBondContact O-N 3.35Å
115	Q	88	Confident	88.7	Confident	112 Å²	112	95.1 Å²	95.1	52%	0.523	46%	0.456	S	S	.	.	H	α-helix	trans	-66.4	-34.5	172.9	-78.7	178.9	-8	0	0	112.2	K111 A112 E113 L117 R118 P119	K111-Q115 WeakPolarHBondContact O-CB 3.44Å; K111-Q115 VanDerWaalsContact O-CG 3.3Å; K111-Q115 WeakPolarHBondContact O-CG 3.34Å; K111-Q115 PolarHBondContact O-N 3.08Å; A112-Q115 WeakPolarHBondContact O-CB 3.3Å; A112-Q115 PolarHBondContact O-N 3.07Å; E113-Q115 VanDerWaalsContact C-N 3.28Å; E113-Q115 PolarHBondContact O-N 3.2Å; Q115-L117 PolarHBondContact O-N 3.26Å; Q115-R118 PolarHBondContact O-N 3.33Å; Q115-P119 VanDerWaalsContact O-CD 3.25Å; Q115-P119 WeakPolarHBondContact O-CD 3.25Å
116	K	86.5	Confident	88.7	Confident	123 Å²	123	92 Å²	92	54%	0.535	44%	0.444	S	S	.	.	H	α-helix	trans	-65	-23.9	173.6	-64.3	173.1	-167.8	166.2	0	113.3	A112 E113 A114 P119	A112-K116 WeakPolarHBondContact O-CG 3.47Å; A112-K116 PolarHBondContact O-N 2.72Å; E113-K116 WeakPolarHBondContact O-CB 3.37Å; E113-K116 PolarHBondContact O-N 3.37Å; E113-K116 VanDerWaalsContact O-N 3.08Å; E113-K116 IonicContact OE1-NZ 3.27Å; E113-K116 IonicContact OE2-NZ 3.18Å; E113-K116 PolarHBondContact OE2-NZ 2.99Å; A114-K116 VanDerWaalsContact C-N 3.34Å; K116-P119 WeakPolarHBondContact O-CD 2.94Å
117	L	87.2	Confident	88.5	Confident	112 Å²	112	88.6 Å²	88.6	59%	0.586	43%	0.434	S	S	*	.	H	α-helix	trans	-78.4	-24.8	177.6	-65.9	174.8	0	0	0	113.5	E113 A114 Q115 V120 K121	E113-L117 PolarHBondContact O-N 3.24Å; A114-L117 PolarHBondContact O-N 3.35Å; Q115-L117 PolarHBondContact O-N 3.26Å; L117-V120 PolarHBondContact O-N 3.31Å; L117-K121 PolarHBondContact O-N 3.24Å; L117-K121 VanDerWaalsContact O-N 3.14Å
118	R	85	Confident	88.6	Confident	128 Å²	128	88 Å²	88	48%	0.483	44%	0.436	S	S	.	.	H	α-helix	trans	-57.7	-49.2	-179.1	-69.7	-174.4	177.8	-159.1	-1.6	112.9	Q115 V120 K121 E122	Q115-R118 PolarHBondContact O-N 3.33Å; R118-V120 VanDerWaalsContact C-N 3.31Å; R118-V120 PolarHBondContact O-N 3.24Å; R118-K121 PolarHBondContact O-N 2.83Å; R118-E122 PolarHBondContact O-N 2.94Å; R118-E122 VanDerWaalsContact O-N 3.13Å
119	P	88	Confident	88.7	Confident	25 Å²	25	91 Å²	91	16%	0.162	44%	0.44	C	S	.	.	H	α-helix	trans	-63.9	-35	179.1	-21.6	34.2	0	0	0	113	Q115 K116 K121 E122 Y123 I614	Q115-P119 VanDerWaalsContact O-CD 3.25Å; Q115-P119 WeakPolarHBondContact O-CD 3.25Å; K116-P119 WeakPolarHBondContact O-CD 2.94Å; P119-K121 VanDerWaalsContact C-N 3.33Å; P119-K121 PolarHBondContact O-N 3.49Å; P119-E122 PolarHBondContact O-N 3.1Å; P119-Y123 VanDerWaalsContact O-CB 3.3Å; P119-Y123 WeakPolarHBondContact O-CB 3.37Å; P119-Y123 PolarHBondContact O-N 2.95Å; P119-I614 HydrophobicContact CB-CB 4.42Å; P119-I614 HydrophobicContact CB-CD1 4.01Å; P119-I614 HydrophobicContact CB-CG2 4.21Å; P119-I614 HydrophobicContact CG-CD1 3.49Å; P119-I614 VanDerWaalsContact CG-CD1 3.49Å
120	V	87.2	Confident	88.6	Confident	92 Å²	92	91 Å²	91	56%	0.558	44%	0.442	S	S	*	.	H	α-helix	trans	-64.4	-41.2	178.7	179.7	0	0	0	0	110.6	L117 R118 Y123 L124	L117-V120 PolarHBondContact O-N 3.31Å; R118-V120 VanDerWaalsContact C-N 3.31Å; R118-V120 PolarHBondContact O-N 3.24Å; V120-Y123 PolarHBondContact O-N 3.11Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 PolarHBondContact O-N 3.27Å
121	K	86	Confident	88.7	Confident	91 Å²	91	87.8 Å²	87.8	40%	0.396	44%	0.437	S	S	.	.	H	α-helix	trans	-66.1	-40.4	176.4	-174.8	179.8	176.7	-177.2	0	112.4	L117 R118 P119 L124 W125 G606 E607	L117-K121 PolarHBondContact O-N 3.24Å; L117-K121 VanDerWaalsContact O-N 3.14Å; R118-K121 PolarHBondContact O-N 2.83Å; P119-K121 VanDerWaalsContact C-N 3.33Å; P119-K121 PolarHBondContact O-N 3.49Å; K121-L124 PolarHBondContact O-N 3.37Å; K121-W125 PolarHBondContact O-N 2.94Å; K121-G606 PolarHBondContact NZ-O 3.43Å; K121-E607 PolarHBondContact NZ-O 2.73Å; K121-E607 VanDerWaalsContact NZ-O 3.1Å
122	E	88.6	Confident	88.9	Confident	50 Å²	50	85.8 Å²	85.8	23%	0.234	43%	0.433	C	S	.	.	H	α-helix	trans	-65.2	-42.4	174.6	-69.8	173.9	165.7	0	0	111.2	R118 P119 L124 W125 T126 D610	R118-E122 PolarHBondContact O-N 2.94Å; R118-E122 VanDerWaalsContact O-N 3.13Å; P119-E122 PolarHBondContact O-N 3.1Å; E122-L124 PolarHBondContact O-N 2.84Å; E122-W125 WeakPolarHBondContact O-CB 3.39Å; E122-W125 PolarHBondContact O-N 3.34Å; E122-T126 PolarHBondContact O-N 3.18Å; E122-T126 PolarHBondContact O-OG1 3Å; E122-D610 PolarHBondContact OE1-N 2.84Å
123	Y	87.7	Confident	89.2	Confident	87 Å²	87	88.3 Å²	88.3	34%	0.341	44%	0.437	S	S	.	.	H	α-helix	trans	-59.9	-45.4	174.4	-179.2	-113.9	0	0	0	111.8	P119 V120 W125 T126 I127 L618	P119-Y123 VanDerWaalsContact O-CB 3.3Å; P119-Y123 WeakPolarHBondContact O-CB 3.37Å; P119-Y123 PolarHBondContact O-N 2.95Å; V120-Y123 PolarHBondContact O-N 3.11Å; Y123-W125 VanDerWaalsContact C-N 3.31Å; Y123-W125 PolarHBondContact O-N 3.18Å; Y123-T126 WeakPolarHBondContact CA-OG1 3.48Å; Y123-T126 PolarHBondContact O-N 3.14Å; Y123-T126 PolarHBondContact O-OG1 3.26Å; Y123-I127 HydrophobicContact CD1-CD1 3.61Å; Y123-I127 HydrophobicContact CD2-CD1 4.4Å; Y123-I127 HydrophobicContact CE1-CD1 3.17Å; Y123-I127 HydrophobicContact CE1-CG1 4.23Å; Y123-I127 HydrophobicContact CE2-CD1 4.02Å; Y123-I127 HydrophobicContact CE2-CG1 4.25Å; Y123-I127 HydrophobicContact CG-CD1 4.22Å; Y123-I127 WeakPolarHBondContact O-CG1 3.3Å; Y123-I127 PolarHBondContact O-N 3.49Å; Y123-L618 HydrophobicContact CE1-CD2 4.38Å; Y123-L618 HydrophobicContact CE2-CB 4.24Å
124	L	88.8	Confident	89.4	Confident	117 Å²	117	92.8 Å²	92.8	61%	0.613	45%	0.451	S	S	*	.	H	α-helix	trans	-59.7	-41.5	174.9	-177.5	64.5	0	0	0	111.9	V120 K121 E122 I127 S128	V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 PolarHBondContact O-N 3.27Å; K121-L124 PolarHBondContact O-N 3.37Å; E122-L124 PolarHBondContact O-N 2.84Å; L124-I127 PolarHBondContact O-N 3.35Å; L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 3.13Å
125	W	89.5	Confident	89.7	Confident	169 Å²	169	94.2 Å²	94.2	64%	0.64	45%	0.45	S	S	*	.	H	α-helix	trans	-63.8	-42.6	176	-176.8	78.3	0	0	0	111.9	K121 E122 Y123 S128 Q129	K121-W125 PolarHBondContact O-N 2.94Å; E122-W125 WeakPolarHBondContact O-CB 3.39Å; E122-W125 PolarHBondContact O-N 3.34Å; Y123-W125 VanDerWaalsContact C-N 3.31Å; Y123-W125 PolarHBondContact O-N 3.18Å; W125-S128 WeakPolarHBondContact O-CB 3.44Å; W125-S128 PolarHBondContact O-N 3.48Å; W125-Q129 VanDerWaalsContact CH2-OE1 3.26Å; W125-Q129 PolarHBondContact O-N 3.25Å
126	T	92.1	Very high	89.9	Confident	38 Å²	38	93.3 Å²	93.3	23%	0.233	45%	0.448	C	S	.	.	H	α-helix	trans	-65	-39.9	176.1	50.7	0	0	0	0	112.9	E122 Y123 S128 Q129 E130 Q615	E122-T126 PolarHBondContact O-N 3.18Å; E122-T126 PolarHBondContact O-OG1 3Å; Y123-T126 WeakPolarHBondContact CA-OG1 3.48Å; Y123-T126 PolarHBondContact O-N 3.14Å; Y123-T126 PolarHBondContact O-OG1 3.26Å; T126-S128 VanDerWaalsContact C-N 3.34Å; T126-Q129 PolarHBondContact O-N 3.24Å; T126-E130 WeakPolarHBondContact O-CB 3.48Å; T126-E130 PolarHBondContact O-N 3.25Å; T126-Q615 VanDerWaalsContact CG2-NE2 3.26Å; T126-Q615 PolarHBondContact OG1-NE2 3.25Å
127	I	88.7	Confident	90.2	Very high	56 Å²	56	93.4 Å²	93.4	29%	0.287	45%	0.449	S	S	.	.	H	α-helix	trans	-62.8	-44.4	173	-68	164.6	0	0	0	110	Y123 L124 Q129 E130 C131	Y123-I127 HydrophobicContact CD1-CD1 3.61Å; Y123-I127 HydrophobicContact CD2-CD1 4.4Å; Y123-I127 HydrophobicContact CE1-CD1 3.17Å; Y123-I127 HydrophobicContact CE1-CG1 4.23Å; Y123-I127 HydrophobicContact CE2-CD1 4.02Å; Y123-I127 HydrophobicContact CE2-CG1 4.25Å; Y123-I127 HydrophobicContact CG-CD1 4.22Å; Y123-I127 WeakPolarHBondContact O-CG1 3.3Å; Y123-I127 PolarHBondContact O-N 3.49Å; L124-I127 PolarHBondContact O-N 3.35Å; I127-Q129 VanDerWaalsContact C-N 3.28Å; I127-Q129 PolarHBondContact O-N 3.36Å; I127-E130 PolarHBondContact O-N 3.04Å; I127-C131 WeakPolarHBondContact O-CB 3.49Å; I127-C131 PolarHBondContact O-N 3.46Å; I127-C131 PolarHBondContact O-SG 2.91Å
128	S	90.8	Very high	90.4	Very high	61 Å²	61	92.3 Å²	92.3	43%	0.427	44%	0.443	S	S	.	.	H	α-helix	trans	-57.2	-44.5	176.9	-172	0	0	0	0	111.1	L124 W125 T126 C131 D132	L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 3.13Å; W125-S128 WeakPolarHBondContact O-CB 3.44Å; W125-S128 PolarHBondContact O-N 3.48Å; T126-S128 VanDerWaalsContact C-N 3.34Å; S128-C131 WeakPolarHBondContact O-CB 3.36Å; S128-C131 PolarHBondContact O-N 2.94Å; S128-D132 VanDerWaalsContact O-CG 3.29Å; S128-D132 PolarHBondContact O-N 3.21Å
129	Q	92.9	Very high	90.7	Very high	100 Å²	100	90.5 Å²	90.5	47%	0.467	44%	0.44	S	S	.	.	H	α-helix	trans	-65.3	-41	177.3	-172.2	-178.4	-0	0	0	112.1	W125 T126 I127 D132 E133	W125-Q129 VanDerWaalsContact CH2-OE1 3.26Å; W125-Q129 PolarHBondContact O-N 3.25Å; T126-Q129 PolarHBondContact O-N 3.24Å; I127-Q129 VanDerWaalsContact C-N 3.28Å; I127-Q129 PolarHBondContact O-N 3.36Å; Q129-D132 PolarHBondContact O-N 3.41Å; Q129-E133 WeakPolarHBondContact O-CB 3.43Å; Q129-E133 PolarHBondContact O-N 3.49Å
130	E	91.5	Very high	90.8	Very high	114 Å²	114	97.1 Å²	97.1	53%	0.533	47%	0.466	S	S	.	.	H	α-helix	trans	-64.7	-41.1	175.7	-170.2	-174	165.1	0	0	111.4	T126 I127 E133 R134	T126-E130 WeakPolarHBondContact O-CB 3.48Å; T126-E130 PolarHBondContact O-N 3.25Å; I127-E130 PolarHBondContact O-N 3.04Å; E130-E133 PolarHBondContact O-N 2.9Å; E130-R134 VanDerWaalsContact O-CB 3.31Å; E130-R134 WeakPolarHBondContact O-CB 3.38Å; E130-R134 PolarHBondContact O-N 2.9Å
131	C	90.6	Very high	90.8	Very high	62 Å²	62	100.4 Å²	100.4	42%	0.419	47%	0.468	S	S	.	.	H	α-helix	trans	-60.2	-46.7	172.9	-71.3	0	0	0	0	111.2	I127 S128 E133 R134 I135	I127-C131 WeakPolarHBondContact O-CB 3.49Å; I127-C131 PolarHBondContact O-N 3.46Å; I127-C131 PolarHBondContact O-SG 2.91Å; S128-C131 WeakPolarHBondContact O-CB 3.36Å; S128-C131 PolarHBondContact O-N 2.94Å; C131-E133 VanDerWaalsContact C-N 3.34Å; C131-E133 PolarHBondContact O-N 3.49Å; C131-R134 PolarHBondContact O-N 3.43Å; C131-I135 VanDerWaalsContact O-CG1 3.24Å; C131-I135 WeakPolarHBondContact O-CG1 3.44Å; C131-I135 PolarHBondContact O-N 3.2Å
132	D	94	Very high	90.9	Very high	92 Å²	92	101.3 Å²	101.3	49%	0.492	47%	0.474	S	S	.	.	H	α-helix	trans	-61.3	-42.4	176.7	-72.4	-28.1	0	0	0	111.6	S128 Q129 R134 I135 L136	S128-D132 VanDerWaalsContact O-CG 3.29Å; S128-D132 PolarHBondContact O-N 3.21Å; Q129-D132 PolarHBondContact O-N 3.41Å; D132-R134 VanDerWaalsContact C-N 3.35Å; D132-R134 PolarHBondContact O-N 2.75Å; D132-I135 PolarHBondContact O-N 3.01Å; D132-L136 WeakPolarHBondContact O-CB 3.44Å; D132-L136 WeakPolarHBondContact O-CG 3.31Å; D132-L136 PolarHBondContact O-N 2.94Å
133	E	93.5	Very high	91.1	Very high	96 Å²	96	107.1 Å²	107.1	45%	0.449	49%	0.494	S	S	.	.	H	α-helix	trans	-64.1	-40.9	175.8	-166	-171	156.5	0	0	111.5	Q129 E130 C131 L136 K137	Q129-E133 WeakPolarHBondContact O-CB 3.43Å; Q129-E133 PolarHBondContact O-N 3.49Å; E130-E133 PolarHBondContact O-N 2.9Å; C131-E133 VanDerWaalsContact C-N 3.34Å; C131-E133 PolarHBondContact O-N 3.49Å; E133-L136 PolarHBondContact O-N 3.33Å; E133-K137 WeakPolarHBondContact O-CG 3.38Å; E133-K137 PolarHBondContact O-N 3.4Å; E133-K137 WeakPolarHBondContact OE1-CE 3.45Å; E133-K137 IonicContact OE1-NZ 3.01Å; E133-K137 PolarHBondContact OE1-NZ 3.05Å
134	R	94.6	Very high	91.3	Very high	168 Å²	168	106.5 Å²	106.5	63%	0.634	50%	0.501	S	S	*	.	H	α-helix	trans	-65.3	-42	177.2	-165.1	171	-171.5	119.9	-0.6	111.3	E130 C131 D132 K137 L138	E130-R134 VanDerWaalsContact O-CB 3.31Å; E130-R134 WeakPolarHBondContact O-CB 3.38Å; E130-R134 PolarHBondContact O-N 2.9Å; C131-R134 PolarHBondContact O-N 3.43Å; D132-R134 VanDerWaalsContact C-N 3.35Å; D132-R134 PolarHBondContact O-N 2.75Å; R134-K137 PolarHBondContact O-N 3.04Å; R134-L138 WeakPolarHBondContact O-CG 3.47Å; R134-L138 PolarHBondContact O-N 3.41Å
135	I	92.9	Very high	91.2	Very high	85 Å²	85	105.6 Å²	105.6	44%	0.436	49%	0.493	S	S	.	.	H	α-helix	trans	-60.6	-46	173.5	-69.6	164.5	0	0	0	110.2	C131 D132 K137 L138 Q139	C131-I135 VanDerWaalsContact O-CG1 3.24Å; C131-I135 WeakPolarHBondContact O-CG1 3.44Å; C131-I135 PolarHBondContact O-N 3.2Å; D132-I135 PolarHBondContact O-N 3.01Å; I135-K137 PolarHBondContact O-N 2.97Å; I135-L138 PolarHBondContact O-N 3.38Å; I135-Q139 HydrophobicContact CG2-CG 4.44Å; I135-Q139 WeakPolarHBondContact O-CB 3.29Å; I135-Q139 WeakPolarHBondContact O-CG 3.48Å; I135-Q139 PolarHBondContact O-N 2.82Å
136	L	92.1	Very high	91.3	Very high	94 Å²	94	101.7 Å²	101.7	49%	0.492	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-39.6	177.5	-76.1	168.6	0	0	0	112.6	D132 E133 Q139 K140	D132-L136 WeakPolarHBondContact O-CB 3.44Å; D132-L136 WeakPolarHBondContact O-CG 3.31Å; D132-L136 PolarHBondContact O-N 2.94Å; E133-L136 PolarHBondContact O-N 3.33Å; L136-Q139 PolarHBondContact O-N 3.33Å; L136-K140 WeakPolarHBondContact O-CB 3.4Å; L136-K140 WeakPolarHBondContact O-CG 3.43Å; L136-K140 PolarHBondContact O-N 2.91Å
137	K	93	Very high	91.4	Very high	125 Å²	125	103.8 Å²	103.8	54%	0.543	49%	0.494	S	S	.	.	H	α-helix	trans	-63.4	-45.3	175.2	-76.8	173.5	-177.4	165.4	0	111.4	E133 R134 I135 K140 R141	E133-K137 WeakPolarHBondContact O-CG 3.38Å; E133-K137 PolarHBondContact O-N 3.4Å; E133-K137 WeakPolarHBondContact OE1-CE 3.45Å; E133-K137 IonicContact OE1-NZ 3.01Å; E133-K137 PolarHBondContact OE1-NZ 3.05Å; R134-K137 PolarHBondContact O-N 3.04Å; I135-K137 PolarHBondContact O-N 2.97Å; K137-K140 PolarHBondContact O-N 3.04Å; K137-R141 PolarHBondContact O-N 2.88Å
138	L	91.2	Very high	91.6	Very high	89 Å²	89	103.9 Å²	103.9	47%	0.466	50%	0.5	S	S	.	.	H	α-helix	trans	-60.5	-48.8	175.3	-72.7	171.2	0	0	0	111.1	R134 I135 K140 R141 E142	R134-L138 WeakPolarHBondContact O-CG 3.47Å; R134-L138 PolarHBondContact O-N 3.41Å; I135-L138 PolarHBondContact O-N 3.38Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.5Å; L138-R141 PolarHBondContact O-N 2.87Å; L138-R141 VanDerWaalsContact O-N 3.1Å; L138-E142 WeakPolarHBondContact O-CB 3.31Å; L138-E142 WeakPolarHBondContact O-CG 3.45Å; L138-E142 PolarHBondContact O-N 3.12Å
139	Q	91.4	Very high	91.7	Very high	90 Å²	90	105.9 Å²	105.9	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-57.8	-43.5	176.4	-73.4	-179.3	-2.6	0	0	112.3	I135 L136 R141 E142 R143	I135-Q139 HydrophobicContact CG2-CG 4.44Å; I135-Q139 WeakPolarHBondContact O-CB 3.29Å; I135-Q139 WeakPolarHBondContact O-CG 3.48Å; I135-Q139 PolarHBondContact O-N 2.82Å; L136-Q139 PolarHBondContact O-N 3.33Å; Q139-R141 VanDerWaalsContact C-N 3.31Å; Q139-R141 PolarHBondContact O-N 2.89Å; Q139-E142 PolarHBondContact O-N 2.91Å; Q139-R143 WeakPolarHBondContact O-CB 3.2Å; Q139-R143 WeakPolarHBondContact O-CG 3.36Å; Q139-R143 PolarHBondContact O-N 3.42Å
140	K	89.7	Confident	91.9	Very high	163 Å²	163	106.2 Å²	106.2	71%	0.709	51%	0.505	S	S	*	.	H	α-helix	trans	-62.2	-37.3	177.2	-79.2	178.8	-179.4	179.4	0	112.5	L136 K137 L138 P144	L136-K140 WeakPolarHBondContact O-CB 3.4Å; L136-K140 WeakPolarHBondContact O-CG 3.43Å; L136-K140 PolarHBondContact O-N 2.91Å; K137-K140 PolarHBondContact O-N 3.04Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.5Å; K140-P144 WeakPolarHBondContact O-CD 3.32Å
141	R	88.1	Confident	92.1	Very high	161 Å²	161	109.4 Å²	109.4	61%	0.608	51%	0.512	S	S	*	.	H	α-helix	trans	-71.3	-41.9	176.1	179.5	-178.2	155	63.5	24.2	112	K137 L138 Q139 P144 E145	K137-R141 PolarHBondContact O-N 2.88Å; L138-R141 PolarHBondContact O-N 2.87Å; L138-R141 VanDerWaalsContact O-N 3.1Å; Q139-R141 VanDerWaalsContact C-N 3.31Å; Q139-R141 PolarHBondContact O-N 2.89Å; R141-P144 VanDerWaalsContact O-CD 3.26Å; R141-P144 WeakPolarHBondContact O-CD 3.42Å; R141-P144 VanDerWaalsContact O-CG 3.29Å; R141-P144 WeakPolarHBondContact O-CG 3.49Å; R141-E145 IonicContact CZ-OE1 3.13Å; R141-E145 IonicContact NH1-OE1 3.35Å; R141-E145 IonicContact NH2-OE1 3.88Å; R141-E145 PolarHBondContact NH2-OE1 2.9Å
142	E	88.3	Confident	92.4	Very high	111 Å²	111	110.1 Å²	110.1	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-76.8	-31.1	-176.2	-70.4	174.4	173.8	0	0	113.2	L138 Q139 E145 L146	L138-E142 WeakPolarHBondContact O-CB 3.31Å; L138-E142 WeakPolarHBondContact O-CG 3.45Å; L138-E142 PolarHBondContact O-N 3.12Å; Q139-E142 PolarHBondContact O-N 2.91Å; E142-E145 PolarHBondContact O-N 2.89Å; E142-L146 WeakPolarHBondContact O-CB 3.3Å; E142-L146 PolarHBondContact O-N 3Å
143	R	92.3	Very high	92.4	Very high	171 Å²	171	109.4 Å²	109.4	65%	0.645	51%	0.505	S	S	*	.	H	α-helix	trans	-52.7	-50.5	179.3	-76.3	-133.6	-162.4	-173.2	4.6	114.6	Q139 L146 N147	Q139-R143 WeakPolarHBondContact O-CB 3.2Å; Q139-R143 WeakPolarHBondContact O-CG 3.36Å; Q139-R143 PolarHBondContact O-N 3.42Å; R143-L146 PolarHBondContact O-N 3.3Å; R143-N147 WeakPolarHBondContact O-CB 3.36Å; R143-N147 PolarHBondContact O-N 3.23Å; R143-N147 PolarHBondContact O-ND2 2.73Å
144	P	90.8	Very high	92.5	Very high	74 Å²	74	110 Å²	110	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-38.1	179.7	25.1	-34.9	0	0	0	112.5	K140 R141 N147 S148	K140-P144 WeakPolarHBondContact O-CD 3.32Å; R141-P144 VanDerWaalsContact O-CD 3.26Å; R141-P144 WeakPolarHBondContact O-CD 3.42Å; R141-P144 VanDerWaalsContact O-CG 3.29Å; R141-P144 WeakPolarHBondContact O-CG 3.49Å; P144-N147 PolarHBondContact O-N 2.88Å; P144-S148 PolarHBondContact O-N 3.13Å; P144-S148 PolarHBondContact O-OG 3Å
145	E	87.6	Confident	92.6	Very high	98 Å²	98	108.6 Å²	108.6	46%	0.458	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-43.6	175.7	-65	179.6	-176.4	0	0	111	R141 E142 N147 S148 L149	R141-E145 IonicContact CZ-OE1 3.13Å; R141-E145 IonicContact NH1-OE1 3.35Å; R141-E145 IonicContact NH2-OE1 3.88Å; R141-E145 PolarHBondContact NH2-OE1 2.9Å; E142-E145 PolarHBondContact O-N 2.89Å; E145-N147 VanDerWaalsContact C-N 3.31Å; E145-N147 PolarHBondContact O-N 2.93Å; E145-S148 PolarHBondContact O-N 2.78Å; E145-S148 PolarHBondContact O-OG 2.99Å; E145-L149 WeakPolarHBondContact O-CB 3.38Å; E145-L149 PolarHBondContact O-N 2.87Å
146	L	91.4	Very high	92.7	Very high	88 Å²	88	108.4 Å²	108.4	46%	0.461	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-38.1	174.7	-176.1	64.1	0	0	0	111.7	E142 R143 K150	E142-L146 WeakPolarHBondContact O-CB 3.3Å; E142-L146 PolarHBondContact O-N 3Å; R143-L146 PolarHBondContact O-N 3.3Å; L146-K150 HydrophobicContact CG-CD 4.3Å; L146-K150 WeakPolarHBondContact O-CB 3.42Å; L146-K150 WeakPolarHBondContact O-CG 3.37Å; L146-K150 PolarHBondContact O-N 2.9Å
147	N	93.6	Very high	93	Very high	81 Å²	81	112.2 Å²	112.2	43%	0.433	51%	0.512	S	S	.	.	H	α-helix	trans	-72.9	-37.4	178.9	-73.1	-18.4	0	0	0	112.6	R143 P144 E145 R151	R143-N147 WeakPolarHBondContact O-CB 3.36Å; R143-N147 PolarHBondContact O-N 3.23Å; R143-N147 PolarHBondContact O-ND2 2.73Å; P144-N147 PolarHBondContact O-N 2.88Å; E145-N147 VanDerWaalsContact C-N 3.31Å; E145-N147 PolarHBondContact O-N 2.93Å; N147-R151 WeakPolarHBondContact O-CG 3.43Å; N147-R151 PolarHBondContact O-N 2.88Å; N147-R151 VanDerWaalsContact O-N 3.08Å
148	S	93.9	Very high	93.1	Very high	58 Å²	58	112.9 Å²	112.9	41%	0.406	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-44.9	172.7	62	0	0	0	0	110.6	P144 E145 K150 R151 E152	P144-S148 PolarHBondContact O-N 3.13Å; P144-S148 PolarHBondContact O-OG 3Å; E145-S148 PolarHBondContact O-N 2.78Å; E145-S148 PolarHBondContact O-OG 2.99Å; S148-K150 PolarHBondContact O-N 3.36Å; S148-R151 PolarHBondContact O-N 3.47Å; S148-E152 PolarHBondContact O-N 2.71Å
149	L	93.2	Very high	93.4	Very high	104 Å²	104	112.3 Å²	112.3	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-63.6	-40.4	177.8	-167.9	62.7	0	0	0	112	E145 R151 E152 I153	E145-L149 WeakPolarHBondContact O-CB 3.38Å; E145-L149 PolarHBondContact O-N 2.87Å; L149-R151 PolarHBondContact O-N 3.34Å; L149-E152 PolarHBondContact O-N 3.34Å; L149-I153 HydrophobicContact CG-CD1 4.19Å; L149-I153 WeakPolarHBondContact O-CB 3.46Å; L149-I153 VanDerWaalsContact O-CG1 3.24Å; L149-I153 WeakPolarHBondContact O-CG1 3.25Å; L149-I153 PolarHBondContact O-N 3.1Å
150	K	96.2	Very high	93.4	Very high	106 Å²	106	111.5 Å²	111.5	46%	0.461	52%	0.515	S	S	.	.	H	α-helix	trans	-59.9	-42.8	172.7	-79.8	172.5	179.8	177.3	0	112.6	L146 S148 I153 I154	L146-K150 HydrophobicContact CG-CD 4.3Å; L146-K150 WeakPolarHBondContact O-CB 3.42Å; L146-K150 WeakPolarHBondContact O-CG 3.37Å; L146-K150 PolarHBondContact O-N 2.9Å; S148-K150 PolarHBondContact O-N 3.36Å; K150-I153 PolarHBondContact O-N 2.94Å; K150-I154 WeakPolarHBondContact O-CG1 3.27Å; K150-I154 PolarHBondContact O-N 2.82Å; K150-I154 VanDerWaalsContact O-N 3.09Å
151	R	96.2	Very high	93.6	Very high	182 Å²	182	107.2 Å²	107.2	69%	0.687	51%	0.505	S	S	*	.	H	α-helix	trans	-62.9	-43.3	176.5	-76	-174.5	-68.7	-177.6	1.4	111.5	N147 S148 L149 I154 R155	N147-R151 WeakPolarHBondContact O-CG 3.43Å; N147-R151 PolarHBondContact O-N 2.88Å; N147-R151 VanDerWaalsContact O-N 3.08Å; S148-R151 PolarHBondContact O-N 3.47Å; L149-R151 PolarHBondContact O-N 3.34Å; R151-I154 PolarHBondContact O-N 3.17Å; R151-R155 PolarHBondContact O-N 3.2Å
152	E	95.8	Very high	94	Very high	77 Å²	77	104 Å²	104	36%	0.36	50%	0.497	S	S	.	.	H	α-helix	trans	-67.2	-39	178	-170.1	58	-159.3	0	0	112.1	S148 L149 I154 R155 L156	S148-E152 PolarHBondContact O-N 2.71Å; L149-E152 PolarHBondContact O-N 3.34Å; E152-I154 VanDerWaalsContact C-N 3.29Å; E152-I154 PolarHBondContact O-N 2.92Å; E152-R155 PolarHBondContact O-N 3.45Å; E152-R155 IonicContact OE1-CZ 3.13Å; E152-R155 IonicContact OE1-NE 3.86Å; E152-R155 PolarHBondContact OE1-NE 3.1Å; E152-R155 VanDerWaalsContact OE1-NE 3.13Å; E152-R155 IonicContact OE1-NH2 3.95Å; E152-R155 WeakPolarHBondContact OE2-CD 3.45Å; E152-R155 IonicContact OE2-NE 3.92Å; E152-R155 PolarHBondContact OE2-NE 3Å; E152-L156 HydrophobicContact CG-CD1 4.05Å; E152-L156 HydrophobicContact CG-CG 4.29Å; E152-L156 WeakPolarHBondContact O-CB 3.33Å; E152-L156 WeakPolarHBondContact O-CG 3.29Å; E152-L156 PolarHBondContact O-N 3.45Å
153	I	93.9	Very high	94.4	Very high	77 Å²	77	103.5 Å²	103.5	40%	0.395	50%	0.498	S	S	.	.	H	α-helix	trans	-58.6	-42.1	173.9	-72	165.8	0	0	0	111.1	L149 K150 R157	L149-I153 HydrophobicContact CG-CD1 4.19Å; L149-I153 WeakPolarHBondContact O-CB 3.46Å; L149-I153 VanDerWaalsContact O-CG1 3.24Å; L149-I153 WeakPolarHBondContact O-CG1 3.25Å; L149-I153 PolarHBondContact O-N 3.1Å; K150-I153 PolarHBondContact O-N 2.94Å; I153-R157 WeakPolarHBondContact O-CB 3.34Å; I153-R157 WeakPolarHBondContact O-CG 3.45Å; I153-R157 PolarHBondContact O-N 2.9Å
154	I	96.1	Very high	94.5	Very high	107 Å²	107	101.9 Å²	101.9	55%	0.549	50%	0.495	S	S	.	.	H	α-helix	trans	-65.2	-48.1	176.6	-67.6	164.7	0	0	0	110.2	K150 R151 E152 L156 R157 E158	K150-I154 WeakPolarHBondContact O-CG1 3.27Å; K150-I154 PolarHBondContact O-N 2.82Å; K150-I154 VanDerWaalsContact O-N 3.09Å; R151-I154 PolarHBondContact O-N 3.17Å; E152-I154 VanDerWaalsContact C-N 3.29Å; E152-I154 PolarHBondContact O-N 2.92Å; I154-L156 PolarHBondContact O-N 3.4Å; I154-R157 WeakPolarHBondContact O-CB 3.37Å; I154-R157 PolarHBondContact O-N 3.3Å; I154-R157 VanDerWaalsContact O-N 3.14Å; I154-E158 PolarHBondContact O-N 2.96Å
155	R	97	Very high	94.7	Very high	139 Å²	139	104.8 Å²	104.8	53%	0.525	50%	0.503	S	S	.	.	H	α-helix	trans	-56.3	-46.6	178.5	-165.8	-168.8	96.8	84.5	-1	112.4	R151 E152 E158 L159	R151-R155 PolarHBondContact O-N 3.2Å; E152-R155 PolarHBondContact O-N 3.45Å; E152-R155 IonicContact OE1-CZ 3.13Å; E152-R155 IonicContact OE1-NE 3.86Å; E152-R155 PolarHBondContact OE1-NE 3.1Å; E152-R155 VanDerWaalsContact OE1-NE 3.13Å; E152-R155 IonicContact OE1-NH2 3.95Å; E152-R155 WeakPolarHBondContact OE2-CD 3.45Å; E152-R155 IonicContact OE2-NE 3.92Å; E152-R155 PolarHBondContact OE2-NE 3Å; R155-E158 PolarHBondContact O-N 3.47Å; R155-L159 WeakPolarHBondContact O-CB 3.37Å; R155-L159 PolarHBondContact O-N 2.8Å
156	L	95.9	Very high	95.1	Very high	81 Å²	81	103.6 Å²	103.6	42%	0.424	50%	0.499	S	S	.	.	H	α-helix	trans	-67.1	-37	178.5	-70.9	173.7	0	0	0	112	E152 I154 L159 V160	E152-L156 HydrophobicContact CG-CD1 4.05Å; E152-L156 HydrophobicContact CG-CG 4.29Å; E152-L156 WeakPolarHBondContact O-CB 3.33Å; E152-L156 WeakPolarHBondContact O-CG 3.29Å; E152-L156 PolarHBondContact O-N 3.45Å; I154-L156 PolarHBondContact O-N 3.4Å; L156-L159 PolarHBondContact O-N 2.85Å; L156-V160 WeakPolarHBondContact O-CB 3.22Å; L156-V160 VanDerWaalsContact O-CG2 3.23Å; L156-V160 WeakPolarHBondContact O-CG2 3.37Å; L156-V160 PolarHBondContact O-N 3.19Å
157	R	97	Very high	95.2	Very high	175 Å²	175	105.2 Å²	105.2	66%	0.66	50%	0.503	S	S	*	.	H	α-helix	trans	-64.8	-40.6	175.1	-77.7	171.5	179.3	-97.8	-0.4	112.1	I153 I154 V160 S161	I153-R157 WeakPolarHBondContact O-CB 3.34Å; I153-R157 WeakPolarHBondContact O-CG 3.45Å; I153-R157 PolarHBondContact O-N 2.9Å; I154-R157 WeakPolarHBondContact O-CB 3.37Å; I154-R157 PolarHBondContact O-N 3.3Å; I154-R157 VanDerWaalsContact O-N 3.14Å; R157-V160 PolarHBondContact O-N 3.37Å; R157-S161 WeakPolarHBondContact O-CB 3.32Å; R157-S161 PolarHBondContact O-N 3.33Å; R157-S161 PolarHBondContact O-OG 3.35Å
158	E	96.3	Very high	95.2	Very high	138 Å²	138	105.3 Å²	105.3	65%	0.645	51%	0.506	S	S	*	.	H	α-helix	trans	-66.1	-45.7	176.5	-170	158.4	-159.6	0	0	110.9	I154 R155 V160 S161 Q162	I154-E158 PolarHBondContact O-N 2.96Å; R155-E158 PolarHBondContact O-N 3.47Å; E158-V160 PolarHBondContact O-N 2.92Å; E158-S161 WeakPolarHBondContact O-CB 3.27Å; E158-S161 PolarHBondContact O-N 3.36Å; E158-Q162 PolarHBondContact O-N 3.26Å
159	L	96.6	Very high	95.2	Very high	78 Å²	78	103.8 Å²	103.8	41%	0.408	50%	0.5	S	S	.	.	H	α-helix	trans	-59.3	-44.1	174.4	-178.5	62.6	0	0	0	112.7	R155 L156 S161 Q162 L163	R155-L159 WeakPolarHBondContact O-CB 3.37Å; R155-L159 PolarHBondContact O-N 2.8Å; L156-L159 PolarHBondContact O-N 2.85Å; L159-S161 VanDerWaalsContact C-N 3.26Å; L159-S161 PolarHBondContact O-N 2.84Å; L159-Q162 PolarHBondContact O-N 2.88Å; L159-L163 HydrophobicContact CD1-CD1 4.37Å; L159-L163 HydrophobicContact CD1-CG 4.4Å; L159-L163 HydrophobicContact CG-CD1 4.22Å; L159-L163 WeakPolarHBondContact O-CG 3.28Å; L159-L163 PolarHBondContact O-N 3.39Å
160	V	92.4	Very high	95.3	Very high	73 Å²	73	103.9 Å²	103.9	44%	0.442	50%	0.5	S	S	.	.	H	α-helix	trans	-63.8	-34	176	167.2	0	0	0	0	111.4	L156 R157 E158 K164	L156-V160 WeakPolarHBondContact O-CB 3.22Å; L156-V160 VanDerWaalsContact O-CG2 3.23Å; L156-V160 WeakPolarHBondContact O-CG2 3.37Å; L156-V160 PolarHBondContact O-N 3.19Å; R157-V160 PolarHBondContact O-N 3.37Å; E158-V160 PolarHBondContact O-N 2.92Å; V160-K164 HydrophobicContact CG1-CD 4.25Å; V160-K164 WeakPolarHBondContact O-CB 3.24Å; V160-K164 VanDerWaalsContact O-CG 3.23Å; V160-K164 WeakPolarHBondContact O-CG 3.33Å; V160-K164 PolarHBondContact O-N 2.75Å; V160-K164 VanDerWaalsContact O-N 3.16Å
161	S	93.7	Very high	95.2	Very high	72 Å²	72	103.8 Å²	103.8	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-70.6	-44.9	177.4	-56.4	0	0	0	0	110.9	R157 E158 L159 K164 E165	R157-S161 WeakPolarHBondContact O-CB 3.32Å; R157-S161 PolarHBondContact O-N 3.33Å; R157-S161 PolarHBondContact O-OG 3.35Å; E158-S161 WeakPolarHBondContact O-CB 3.27Å; E158-S161 PolarHBondContact O-N 3.36Å; L159-S161 VanDerWaalsContact C-N 3.26Å; L159-S161 PolarHBondContact O-N 2.84Å; S161-K164 WeakPolarHBondContact O-CB 3.37Å; S161-K164 PolarHBondContact O-N 2.74Å; S161-E165 PolarHBondContact O-N 2.74Å
162	Q	96	Very high	95.1	Very high	94 Å²	94	98.6 Å²	98.6	44%	0.439	49%	0.49	S	S	.	.	H	α-helix	trans	-58.3	-50.2	174.9	-173.6	62.5	47.1	0	0	111.7	E158 L159 K164 E165 D166	E158-Q162 PolarHBondContact O-N 3.26Å; L159-Q162 PolarHBondContact O-N 2.88Å; Q162-K164 PolarHBondContact O-N 3.44Å; Q162-E165 WeakPolarHBondContact O-CB 3.47Å; Q162-E165 PolarHBondContact O-N 3.39Å; Q162-D166 PolarHBondContact NE2-OD1 3.25Å; Q162-D166 VanDerWaalsContact O-CG 3.3Å; Q162-D166 PolarHBondContact O-N 2.86Å
163	L	95.9	Very high	95.1	Very high	101 Å²	101	100 Å²	100	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-30	179.6	-71.9	174.2	0	0	0	112.9	L159 K167	L159-L163 HydrophobicContact CD1-CD1 4.37Å; L159-L163 HydrophobicContact CD1-CG 4.4Å; L159-L163 HydrophobicContact CG-CD1 4.22Å; L159-L163 WeakPolarHBondContact O-CG 3.28Å; L159-L163 PolarHBondContact O-N 3.39Å; L163-K167 VanDerWaalsContact O-CB 3.26Å; L163-K167 WeakPolarHBondContact O-CB 3.45Å; L163-K167 PolarHBondContact O-N 2.81Å
164	K	95.6	Very high	95.1	Very high	136 Å²	136	100.6 Å²	100.6	59%	0.591	50%	0.503	S	S	*	.	H	α-helix	trans	-70.7	-40.8	173.4	-78.6	174.2	178.7	-176.4	0	111.7	V160 S161 Q162 K167 V168	V160-K164 HydrophobicContact CG1-CD 4.25Å; V160-K164 WeakPolarHBondContact O-CB 3.24Å; V160-K164 VanDerWaalsContact O-CG 3.23Å; V160-K164 WeakPolarHBondContact O-CG 3.33Å; V160-K164 PolarHBondContact O-N 2.75Å; V160-K164 VanDerWaalsContact O-N 3.16Å; S161-K164 WeakPolarHBondContact O-CB 3.37Å; S161-K164 PolarHBondContact O-N 2.74Å; Q162-K164 PolarHBondContact O-N 3.44Å; K164-K167 PolarHBondContact O-N 3.38Å; K164-V168 WeakPolarHBondContact O-CG2 3.3Å; K164-V168 PolarHBondContact O-N 3.08Å
165	E	94.7	Very high	95.1	Very high	136 Å²	136	100.9 Å²	100.9	64%	0.636	50%	0.502	S	S	*	.	H	α-helix	trans	-64.8	-46.3	175.5	-174	170.9	-176.1	0	0	111.1	S161 Q162 K167 V168 G169	S161-E165 PolarHBondContact O-N 2.74Å; Q162-E165 WeakPolarHBondContact O-CB 3.47Å; Q162-E165 PolarHBondContact O-N 3.39Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.26Å; E165-V168 PolarHBondContact O-N 3.4Å; E165-V168 VanDerWaalsContact O-N 3.15Å; E165-G169 PolarHBondContact O-N 2.87Å
166	D	95.4	Very high	95.1	Very high	73 Å²	73	100.5 Å²	100.5	39%	0.39	51%	0.506	S	S	.	.	H	α-helix	trans	-59.7	-41.7	176	-64.4	-14.5	0	0	0	111.5	Q162 G169 L170	Q162-D166 PolarHBondContact NE2-OD1 3.25Å; Q162-D166 VanDerWaalsContact O-CG 3.3Å; Q162-D166 PolarHBondContact O-N 2.86Å; D166-G169 PolarHBondContact O-N 3.32Å; D166-L170 WeakPolarHBondContact O-CB 3.36Å; D166-L170 WeakPolarHBondContact O-CG 3.02Å; D166-L170 PolarHBondContact O-N 3.23Å
167	K	94.3	Very high	95.1	Very high	122 Å²	122	102 Å²	102	53%	0.53	51%	0.514	S	S	.	.	H	α-helix	trans	-59.3	-49.1	174.8	177.6	-175.4	167.7	-177.2	0	111.1	L163 K164 E165 G169 L170 E171	L163-K167 VanDerWaalsContact O-CB 3.26Å; L163-K167 WeakPolarHBondContact O-CB 3.45Å; L163-K167 PolarHBondContact O-N 2.81Å; K164-K167 PolarHBondContact O-N 3.38Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.26Å; K167-G169 VanDerWaalsContact C-N 3.32Å; K167-G169 PolarHBondContact O-N 2.83Å; K167-L170 PolarHBondContact O-N 3.07Å; K167-E171 WeakPolarHBondContact CE-OE1 3.49Å; K167-E171 HydrophobicContact CG-CG 4.47Å; K167-E171 IonicContact NZ-OE1 2.84Å; K167-E171 WeakPolarHBondContact O-CB 3.26Å; K167-E171 VanDerWaalsContact O-CG 3.32Å; K167-E171 WeakPolarHBondContact O-CG 3.42Å; K167-E171 PolarHBondContact O-N 3.38Å
168	V	94.1	Very high	95	Very high	83 Å²	83	96.2 Å²	96.2	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-62.4	-42.9	177.8	171.6	0	0	0	0	110.2	K164 E165 L170 E171 T172	K164-V168 WeakPolarHBondContact O-CG2 3.3Å; K164-V168 PolarHBondContact O-N 3.08Å; E165-V168 PolarHBondContact O-N 3.4Å; E165-V168 VanDerWaalsContact O-N 3.15Å; V168-L170 PolarHBondContact O-N 2.82Å; V168-E171 PolarHBondContact O-N 3.21Å; V168-T172 HydrophobicContact CG1-CG2 4.41Å; V168-T172 VanDerWaalsContact O-CG2 3.27Å; V168-T172 WeakPolarHBondContact O-CG2 3.46Å; V168-T172 PolarHBondContact O-N 3.45Å
169	G	92.7	Very high	95	Very high	26 Å²	26	93.4 Å²	93.4	27%	0.268	49%	0.485	S	S	.	.	H	α-helix	trans	-56.7	-48.8	175	0	0	0	0	0	112.5	E165 D166 K167 T172 Q173	E165-G169 PolarHBondContact O-N 2.87Å; D166-G169 PolarHBondContact O-N 3.32Å; K167-G169 VanDerWaalsContact C-N 3.32Å; K167-G169 PolarHBondContact O-N 2.83Å; G169-T172 PolarHBondContact O-N 2.85Å; G169-T172 PolarHBondContact O-OG1 3.43Å; G169-Q173 WeakPolarHBondContact O-CG 3.46Å; G169-Q173 PolarHBondContact O-N 3.22Å
170	L	94.9	Very high	95	Very high	106 Å²	106	92.8 Å²	92.8	56%	0.555	49%	0.488	S	S	*	.	H	α-helix	trans	-64.4	-42.1	176.1	-75.4	167.7	0	0	0	112.4	D166 K167 V168 T172 Q173 V174	D166-L170 WeakPolarHBondContact O-CB 3.36Å; D166-L170 WeakPolarHBondContact O-CG 3.02Å; D166-L170 PolarHBondContact O-N 3.23Å; K167-L170 PolarHBondContact O-N 3.07Å; V168-L170 PolarHBondContact O-N 2.82Å; L170-T172 VanDerWaalsContact C-N 3.31Å; L170-T172 PolarHBondContact O-N 3.5Å; L170-Q173 PolarHBondContact O-N 3.42Å; L170-V174 VanDerWaalsContact O-CG2 3.31Å; L170-V174 WeakPolarHBondContact O-CG2 3.36Å; L170-V174 PolarHBondContact O-N 3.16Å
171	E	95.8	Very high	95.1	Very high	104 Å²	104	94.1 Å²	94.1	49%	0.486	49%	0.491	S	S	.	.	H	α-helix	trans	-59.4	-42.2	175.1	-76.1	174.6	164.9	0	0	111.1	K167 V168 V174 E175	K167-E171 WeakPolarHBondContact CE-OE1 3.49Å; K167-E171 HydrophobicContact CG-CG 4.47Å; K167-E171 IonicContact NZ-OE1 2.84Å; K167-E171 WeakPolarHBondContact O-CB 3.26Å; K167-E171 VanDerWaalsContact O-CG 3.32Å; K167-E171 WeakPolarHBondContact O-CG 3.42Å; K167-E171 PolarHBondContact O-N 3.38Å; V168-E171 PolarHBondContact O-N 3.21Å; E171-V174 PolarHBondContact O-N 3.4Å; E171-E175 PolarHBondContact O-N 2.87Å
172	T	93.1	Very high	95.2	Very high	72 Å²	72	95.4 Å²	95.4	44%	0.442	49%	0.488	S	S	.	.	H	α-helix	trans	-65.2	-39	175.5	65.2	0	0	0	0	112.8	V168 G169 L170 E175 Q176	V168-T172 HydrophobicContact CG1-CG2 4.41Å; V168-T172 VanDerWaalsContact O-CG2 3.27Å; V168-T172 WeakPolarHBondContact O-CG2 3.46Å; V168-T172 PolarHBondContact O-N 3.45Å; G169-T172 PolarHBondContact O-N 2.85Å; G169-T172 PolarHBondContact O-OG1 3.43Å; L170-T172 VanDerWaalsContact C-N 3.31Å; L170-T172 PolarHBondContact O-N 3.5Å; T172-E175 PolarHBondContact O-N 3.4Å; T172-Q176 WeakPolarHBondContact O-CB 3.42Å; T172-Q176 VanDerWaalsContact O-CG 3.28Å; T172-Q176 WeakPolarHBondContact O-CG 3.45Å; T172-Q176 PolarHBondContact O-N 3.29Å
173	Q	96	Very high	95.2	Very high	108 Å²	108	95.3 Å²	95.3	51%	0.505	49%	0.487	S	S	.	.	H	α-helix	trans	-66.3	-41.6	175.6	-71.5	178.4	25	0	0	111.6	G169 L170 E175 Q176 L177	G169-Q173 WeakPolarHBondContact O-CG 3.46Å; G169-Q173 PolarHBondContact O-N 3.22Å; L170-Q173 PolarHBondContact O-N 3.42Å; Q173-E175 VanDerWaalsContact C-N 3.32Å; Q173-E175 PolarHBondContact O-N 3.43Å; Q173-Q176 PolarHBondContact O-N 3.4Å; Q173-L177 WeakPolarHBondContact O-CB 3.24Å; Q173-L177 WeakPolarHBondContact O-CG 3.45Å; Q173-L177 PolarHBondContact O-N 3.23Å
174	V	94.8	Very high	95.1	Very high	88 Å²	88	94.3 Å²	94.3	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175.5	169.6	0	0	0	0	110.5	L170 E171 L177 T178	L170-V174 VanDerWaalsContact O-CG2 3.31Å; L170-V174 WeakPolarHBondContact O-CG2 3.36Å; L170-V174 PolarHBondContact O-N 3.16Å; E171-V174 PolarHBondContact O-N 3.4Å; V174-L177 PolarHBondContact O-N 2.72Å; V174-T178 WeakPolarHBondContact O-CB 3.35Å; V174-T178 PolarHBondContact O-N 2.96Å; V174-T178 PolarHBondContact O-OG1 3.44Å
175	E	95.7	Very high	95	Very high	113 Å²	113	93.8 Å²	93.8	53%	0.528	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-44.9	175.9	-171.5	60.5	-145.3	0	0	111.3	E171 T172 Q173 T178 Q179	E171-E175 PolarHBondContact O-N 2.87Å; T172-E175 PolarHBondContact O-N 3.4Å; Q173-E175 VanDerWaalsContact C-N 3.32Å; Q173-E175 PolarHBondContact O-N 3.43Å; E175-T178 PolarHBondContact O-N 3.27Å; E175-Q179 VanDerWaalsContact O-CB 3.31Å; E175-Q179 WeakPolarHBondContact O-CB 3.31Å; E175-Q179 PolarHBondContact O-N 2.94Å
176	Q	95.8	Very high	95.1	Very high	132 Å²	132	91.1 Å²	91.1	62%	0.617	47%	0.469	S	S	*	.	H	α-helix	trans	-61.8	-45.1	177	-75.1	175.2	2.1	0	0	112.6	T172 Q173 Q179 S180	T172-Q176 WeakPolarHBondContact O-CB 3.42Å; T172-Q176 VanDerWaalsContact O-CG 3.28Å; T172-Q176 WeakPolarHBondContact O-CG 3.45Å; T172-Q176 PolarHBondContact O-N 3.29Å; Q173-Q176 PolarHBondContact O-N 3.4Å; Q176-Q179 PolarHBondContact O-N 3.24Å; Q176-S180 WeakPolarHBondContact O-CB 3.28Å; Q176-S180 PolarHBondContact O-N 3.39Å
177	L	96.7	Very high	95.1	Very high	111 Å²	111	93 Å²	93	58%	0.581	47%	0.474	S	S	*	.	H	α-helix	trans	-65.7	-41.2	176.9	-72.6	174	0	0	0	111.2	Q173 V174 Q179 S180 I181	Q173-L177 WeakPolarHBondContact O-CB 3.24Å; Q173-L177 WeakPolarHBondContact O-CG 3.45Å; Q173-L177 PolarHBondContact O-N 3.23Å; V174-L177 PolarHBondContact O-N 2.72Å; L177-Q179 VanDerWaalsContact C-N 3.32Å; L177-Q179 PolarHBondContact O-N 2.98Å; L177-S180 PolarHBondContact O-N 3.31Å; L177-I181 WeakPolarHBondContact O-CB 3.42Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.36Å; L177-I181 PolarHBondContact O-N 3.48Å
178	T	95.4	Very high	95.1	Very high	55 Å²	55	92.9 Å²	92.9	34%	0.337	47%	0.474	S	S	.	.	H	α-helix	trans	-61.9	-42.1	176	-60.3	0	0	0	0	111	V174 E175 K182	V174-T178 WeakPolarHBondContact O-CB 3.35Å; V174-T178 PolarHBondContact O-N 2.96Å; V174-T178 PolarHBondContact O-OG1 3.44Å; E175-T178 PolarHBondContact O-N 3.27Å; T178-K182 WeakPolarHBondContact O-CG 3.46Å; T178-K182 PolarHBondContact O-N 3.31Å
179	Q	96.1	Very high	95.1	Very high	79 Å²	79	96.6 Å²	96.6	37%	0.369	48%	0.479	S	S	.	.	H	α-helix	trans	-66.6	-44.6	176.3	-177.9	57.4	24.7	0	0	111.9	E175 Q176 L177 I181 K182 E183	E175-Q179 VanDerWaalsContact O-CB 3.31Å; E175-Q179 WeakPolarHBondContact O-CB 3.31Å; E175-Q179 PolarHBondContact O-N 2.94Å; Q176-Q179 PolarHBondContact O-N 3.24Å; L177-Q179 VanDerWaalsContact C-N 3.32Å; L177-Q179 PolarHBondContact O-N 2.98Å; Q179-I181 VanDerWaalsContact C-N 3.33Å; Q179-I181 PolarHBondContact O-N 3.35Å; Q179-K182 WeakPolarHBondContact O-CB 3.5Å; Q179-K182 PolarHBondContact O-N 2.77Å; Q179-K182 VanDerWaalsContact O-N 3.17Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.39Å; Q179-E183 PolarHBondContact NE2-OE1 2.8Å; Q179-E183 WeakPolarHBondContact O-CG 3.08Å; Q179-E183 PolarHBondContact O-N 3.29Å
180	S	96.2	Very high	95.1	Very high	65 Å²	65	102.5 Å²	102.5	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-59.5	-42.4	175.3	-178	0	0	0	0	112	Q176 L177 K182 E183 E184	Q176-S180 WeakPolarHBondContact O-CB 3.28Å; Q176-S180 PolarHBondContact O-N 3.39Å; L177-S180 PolarHBondContact O-N 3.31Å; S180-K182 PolarHBondContact O-N 3.43Å; S180-E183 PolarHBondContact O-N 3.42Å; S180-E184 WeakPolarHBondContact O-CB 3.45Å; S180-E184 PolarHBondContact O-N 3.39Å
181	I	95.1	Very high	95.1	Very high	100 Å²	100	101.7 Å²	101.7	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-63	-42.2	175.2	-71.8	167	0	0	0	111.2	L177 Q179 E184 H185	L177-I181 WeakPolarHBondContact O-CB 3.42Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.36Å; L177-I181 PolarHBondContact O-N 3.48Å; Q179-I181 VanDerWaalsContact C-N 3.33Å; Q179-I181 PolarHBondContact O-N 3.35Å; I181-E184 PolarHBondContact O-N 2.91Å; I181-H185 VanDerWaalsContact CG2-CD2 3.49Å; I181-H185 WeakPolarHBondContact CG2-CD2 3.46Å; I181-H185 WeakPolarHBondContact O-CB 3.46Å; I181-H185 PolarHBondContact O-CD2 2.86Å; I181-H185 PolarHBondContact O-N 3.38Å
182	K	95.5	Very high	95	Very high	100 Å²	100	99.5 Å²	99.5	44%	0.435	49%	0.487	S	S	.	.	H	α-helix	trans	-61.7	-46.6	175.4	-72.7	168.5	-175.6	165.4	0	111.7	T178 Q179 S180 E184 H185 D186	T178-K182 WeakPolarHBondContact O-CG 3.46Å; T178-K182 PolarHBondContact O-N 3.31Å; Q179-K182 WeakPolarHBondContact O-CB 3.5Å; Q179-K182 PolarHBondContact O-N 2.77Å; Q179-K182 VanDerWaalsContact O-N 3.17Å; S180-K182 PolarHBondContact O-N 3.43Å; K182-E184 VanDerWaalsContact C-N 3.3Å; K182-E184 PolarHBondContact O-N 3.31Å; K182-H185 WeakPolarHBondContact O-CB 3.35Å; K182-H185 PolarHBondContact O-N 3.49Å; K182-D186 PolarHBondContact O-N 3.49Å
183	E	95.6	Very high	95	Very high	91 Å²	91	99 Å²	99	43%	0.425	48%	0.481	S	S	.	.	H	α-helix	trans	-61.3	-40.8	177.7	-73.1	171.9	-165.7	0	0	111.7	Q179 S180 D186 K187	Q179-E183 WeakPolarHBondContact CG-OE1 3.39Å; Q179-E183 PolarHBondContact NE2-OE1 2.8Å; Q179-E183 WeakPolarHBondContact O-CG 3.08Å; Q179-E183 PolarHBondContact O-N 3.29Å; S180-E183 PolarHBondContact O-N 3.42Å; E183-D186 PolarHBondContact O-N 3.21Å; E183-K187 WeakPolarHBondContact O-CG 3.32Å; E183-K187 PolarHBondContact O-N 3.18Å
184	E	94.2	Very high	94.9	Very high	80 Å²	80	96 Å²	96	37%	0.374	48%	0.476	S	S	.	.	H	α-helix	trans	-67	-42	176.8	-158.8	61.2	-160.3	0	0	111.3	S180 I181 K182 D186 K187 F188	S180-E184 WeakPolarHBondContact O-CB 3.45Å; S180-E184 PolarHBondContact O-N 3.39Å; I181-E184 PolarHBondContact O-N 2.91Å; K182-E184 VanDerWaalsContact C-N 3.3Å; K182-E184 PolarHBondContact O-N 3.31Å; E184-D186 VanDerWaalsContact C-N 3.33Å; E184-D186 PolarHBondContact O-N 3.47Å; E184-K187 PolarHBondContact O-N 2.89Å; E184-K187 IonicContact OE2-NZ 3.25Å; E184-K187 PolarHBondContact OE2-NZ 3.42Å; E184-F188 HydrophobicContact CG-CD2 4.06Å; E184-F188 HydrophobicContact CG-CE2 3.9Å; E184-F188 VanDerWaalsContact O-CD2 3.25Å; E184-F188 WeakPolarHBondContact O-CD2 3.14Å; E184-F188 PolarHBondContact O-N 3.06Å
185	H	93.6	Very high	94.9	Very high	125 Å²	125	97.3 Å²	97.3	58%	0.579	47%	0.474	S	S	*	.	H	α-helix	trans	-59.3	-41.3	172.1	-79.7	-53.9	0	0	0	112.8	I181 K182 F188 R189	I181-H185 VanDerWaalsContact CG2-CD2 3.49Å; I181-H185 WeakPolarHBondContact CG2-CD2 3.46Å; I181-H185 WeakPolarHBondContact O-CB 3.46Å; I181-H185 PolarHBondContact O-CD2 2.86Å; I181-H185 PolarHBondContact O-N 3.38Å; K182-H185 WeakPolarHBondContact O-CB 3.35Å; K182-H185 PolarHBondContact O-N 3.49Å; H185-F188 PolarHBondContact O-N 3.32Å; H185-R189 WeakPolarHBondContact O-CB 3.35Å; H185-R189 PolarHBondContact O-N 3.29Å
186	D	95.8	Very high	94.8	Very high	81 Å²	81	99.8 Å²	99.8	43%	0.433	48%	0.478	S	S	.	.	H	α-helix	trans	-65	-43.3	176.3	-76.9	-19.9	0	0	0	111.3	K182 E183 E184 R189 Y190	K182-D186 PolarHBondContact O-N 3.49Å; E183-D186 PolarHBondContact O-N 3.21Å; E184-D186 VanDerWaalsContact C-N 3.33Å; E184-D186 PolarHBondContact O-N 3.47Å; D186-R189 WeakPolarHBondContact O-CB 3.38Å; D186-R189 PolarHBondContact O-N 3.12Å; D186-Y190 HydrophobicContact CB-CD2 4.49Å; D186-Y190 HydrophobicContact CB-CE2 4.06Å; D186-Y190 WeakPolarHBondContact O-CD2 3.29Å; D186-Y190 PolarHBondContact O-N 2.88Å
187	K	95	Very high	94.7	Very high	113 Å²	113	98.7 Å²	98.7	49%	0.491	48%	0.476	S	S	.	.	H	α-helix	trans	-59	-48.1	173.6	-71	175.1	-154.1	157.1	0	112.1	E183 E184 R189 Y190 E191	E183-K187 WeakPolarHBondContact O-CG 3.32Å; E183-K187 PolarHBondContact O-N 3.18Å; E184-K187 PolarHBondContact O-N 2.89Å; E184-K187 IonicContact OE2-NZ 3.25Å; E184-K187 PolarHBondContact OE2-NZ 3.42Å; K187-R189 PolarHBondContact O-N 3.39Å; K187-Y190 PolarHBondContact O-N 3.22Å; K187-E191 WeakPolarHBondContact O-CB 3.22Å; K187-E191 PolarHBondContact O-N 2.65Å
188	F	94.2	Very high	94.5	Very high	119 Å²	119	98.6 Å²	98.6	52%	0.522	48%	0.476	S	S	.	.	H	α-helix	trans	-58.6	-38.3	176.2	-89.9	-71.8	0	0	0	111.8	E184 H185 E191 A192	E184-F188 HydrophobicContact CG-CD2 4.06Å; E184-F188 HydrophobicContact CG-CE2 3.9Å; E184-F188 VanDerWaalsContact O-CD2 3.25Å; E184-F188 WeakPolarHBondContact O-CD2 3.14Å; E184-F188 PolarHBondContact O-N 3.06Å; H185-F188 PolarHBondContact O-N 3.32Å; F188-E191 PolarHBondContact O-N 3.44Å; F188-A192 WeakPolarHBondContact O-CB 3.48Å; F188-A192 PolarHBondContact O-N 3.35Å
189	R	94.4	Very high	94.3	Very high	160 Å²	160	100.6 Å²	100.6	60%	0.604	48%	0.484	S	S	*	.	H	α-helix	trans	-65.3	-48	175.7	-169.7	-172.6	126.2	154.4	-1.1	111.6	H185 D186 K187 E191 A192 D193	H185-R189 WeakPolarHBondContact O-CB 3.35Å; H185-R189 PolarHBondContact O-N 3.29Å; D186-R189 WeakPolarHBondContact O-CB 3.38Å; D186-R189 PolarHBondContact O-N 3.12Å; K187-R189 PolarHBondContact O-N 3.39Å; R189-E191 VanDerWaalsContact C-N 3.3Å; R189-E191 PolarHBondContact O-N 3.05Å; R189-A192 PolarHBondContact O-N 2.91Å; R189-D193 PolarHBondContact O-N 3.36Å
190	Y	93.6	Very high	94.1	Very high	150 Å²	150	100 Å²	100	59%	0.588	49%	0.488	S	S	*	.	H	α-helix	trans	-61.7	-38.9	176.4	-67.3	-54.2	0	0	0	112.1	D186 K187 D193 A194	D186-Y190 HydrophobicContact CB-CD2 4.49Å; D186-Y190 HydrophobicContact CB-CE2 4.06Å; D186-Y190 WeakPolarHBondContact O-CD2 3.29Å; D186-Y190 PolarHBondContact O-N 2.88Å; K187-Y190 PolarHBondContact O-N 3.22Å; Y190-D193 PolarHBondContact O-N 3.38Å; Y190-A194 WeakPolarHBondContact O-CB 3.28Å; Y190-A194 PolarHBondContact O-N 2.96Å
191	E	94.9	Very high	94	Very high	90 Å²	90	102.4 Å²	102.4	42%	0.421	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-43	176.3	-169.7	-172.1	158	0	0	111.6	K187 F188 R189 A194 K195	K187-E191 WeakPolarHBondContact O-CB 3.22Å; K187-E191 PolarHBondContact O-N 2.65Å; F188-E191 PolarHBondContact O-N 3.44Å; R189-E191 VanDerWaalsContact C-N 3.3Å; R189-E191 PolarHBondContact O-N 3.05Å; E191-A194 PolarHBondContact O-N 3.4Å; E191-K195 HydrophobicContact CG-CD 4.28Å; E191-K195 WeakPolarHBondContact O-CB 3.46Å; E191-K195 VanDerWaalsContact O-CG 3.31Å; E191-K195 WeakPolarHBondContact O-CG 3.29Å; E191-K195 PolarHBondContact O-N 2.84Å; E191-K195 WeakPolarHBondContact OE1-CE 3.5Å; E191-K195 IonicContact OE1-NZ 3.87Å; E191-K195 PolarHBondContact OE1-NZ 3.3Å
192	A	92.4	Very high	93.8	Very high	57 Å²	57	101.8 Å²	101.8	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-62.6	-42.2	175.3	0	0	0	0	0	111.8	F188 R189 K195 R196	F188-A192 WeakPolarHBondContact O-CB 3.48Å; F188-A192 PolarHBondContact O-N 3.35Å; R189-A192 PolarHBondContact O-N 2.91Å; A192-K195 PolarHBondContact O-N 2.7Å; A192-R196 WeakPolarHBondContact O-CB 3.23Å; A192-R196 PolarHBondContact O-N 3.13Å
193	D	93.4	Very high	93.4	Very high	61 Å²	61	101.3 Å²	101.3	33%	0.326	49%	0.491	S	S	.	.	H	α-helix	trans	-63.7	-44.6	175.3	-80.1	-30.2	0	0	0	111.7	R189 Y190 K195 R196 L197	R189-D193 PolarHBondContact O-N 3.36Å; Y190-D193 PolarHBondContact O-N 3.38Å; D193-K195 PolarHBondContact O-N 2.91Å; D193-R196 WeakPolarHBondContact O-CB 3.29Å; D193-R196 PolarHBondContact O-N 3.22Å; D193-L197 WeakPolarHBondContact O-CG 3.45Å; D193-L197 PolarHBondContact O-N 2.78Å
194	A	95.5	Very high	93.3	Very high	47 Å²	47	98.9 Å²	98.9	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-62.2	-42.7	176.1	0	0	0	0	0	112.1	Y190 E191 R196 L197 L198	Y190-A194 WeakPolarHBondContact O-CB 3.28Å; Y190-A194 PolarHBondContact O-N 2.96Å; E191-A194 PolarHBondContact O-N 3.4Å; A194-R196 VanDerWaalsContact C-N 3.34Å; A194-R196 PolarHBondContact O-N 3.38Å; A194-L197 PolarHBondContact O-N 3.42Å; A194-L198 WeakPolarHBondContact O-CG 3.24Å; A194-L198 PolarHBondContact O-N 3.02Å
195	K	93.6	Very high	93	Very high	114 Å²	114	100.6 Å²	100.6	50%	0.496	50%	0.496	S	S	.	.	H	α-helix	trans	-61.5	-41.4	174.2	-77.2	171.1	171.7	170.1	0	111.7	E191 A192 D193 L197 L198 I199	E191-K195 HydrophobicContact CG-CD 4.28Å; E191-K195 WeakPolarHBondContact O-CB 3.46Å; E191-K195 VanDerWaalsContact O-CG 3.31Å; E191-K195 WeakPolarHBondContact O-CG 3.29Å; E191-K195 PolarHBondContact O-N 2.84Å; E191-K195 WeakPolarHBondContact OE1-CE 3.5Å; E191-K195 IonicContact OE1-NZ 3.87Å; E191-K195 PolarHBondContact OE1-NZ 3.3Å; A192-K195 PolarHBondContact O-N 2.7Å; D193-K195 PolarHBondContact O-N 2.91Å; K195-L197 VanDerWaalsContact C-N 3.34Å; K195-L197 PolarHBondContact O-N 2.68Å; K195-L198 PolarHBondContact O-N 2.92Å; K195-I199 WeakPolarHBondContact O-CB 3.42Å; K195-I199 WeakPolarHBondContact O-CD1 3.34Å; K195-I199 WeakPolarHBondContact O-CG1 3.38Å; K195-I199 PolarHBondContact O-N 2.97Å
196	R	94.5	Very high	92.7	Very high	165 Å²	165	102.4 Å²	102.4	62%	0.623	50%	0.498	S	S	*	.	H	α-helix	trans	-62.1	-41.4	176.5	-171.1	175.1	68.7	96.1	-0.1	111.8	A192 D193 A194 I199 S200	A192-R196 WeakPolarHBondContact O-CB 3.23Å; A192-R196 PolarHBondContact O-N 3.13Å; D193-R196 WeakPolarHBondContact O-CB 3.29Å; D193-R196 PolarHBondContact O-N 3.22Å; A194-R196 VanDerWaalsContact C-N 3.34Å; A194-R196 PolarHBondContact O-N 3.38Å; R196-I199 PolarHBondContact O-N 2.98Å; R196-S200 PolarHBondContact O-N 3.47Å; R196-S200 PolarHBondContact O-OG 3.31Å
197	L	92.6	Very high	92.2	Very high	109 Å²	109	104.1 Å²	104.1	57%	0.571	50%	0.504	S	S	*	.	H	α-helix	trans	-64.7	-45.8	175.4	-70	172.4	0	0	0	112	D193 A194 K195 I199 S200 E201	D193-L197 WeakPolarHBondContact O-CG 3.45Å; D193-L197 PolarHBondContact O-N 2.78Å; A194-L197 PolarHBondContact O-N 3.42Å; K195-L197 VanDerWaalsContact C-N 3.34Å; K195-L197 PolarHBondContact O-N 2.68Å; L197-I199 VanDerWaalsContact C-N 3.32Å; L197-I199 PolarHBondContact O-N 3.44Å; L197-S200 WeakPolarHBondContact CA-OG 3.42Å; L197-S200 PolarHBondContact O-N 3.21Å; L197-S200 VanDerWaalsContact O-N 3.16Å; L197-S200 PolarHBondContact O-OG 2.84Å; L197-E201 PolarHBondContact O-N 3.22Å
198	L	92.4	Very high	91.8	Very high	109 Å²	109	104.3 Å²	104.3	57%	0.571	51%	0.507	S	S	*	.	H	α-helix	trans	-62.6	-38.5	176.2	-71.9	172.7	0	0	0	112.3	A194 K195 S200 E201 I202	A194-L198 WeakPolarHBondContact O-CG 3.24Å; A194-L198 PolarHBondContact O-N 3.02Å; K195-L198 PolarHBondContact O-N 2.92Å; L198-S200 VanDerWaalsContact C-N 3.34Å; L198-E201 PolarHBondContact O-N 2.9Å; L198-I202 WeakPolarHBondContact O-CB 3.3Å; L198-I202 VanDerWaalsContact O-CG1 3.26Å; L198-I202 WeakPolarHBondContact O-CG1 3.46Å; L198-I202 PolarHBondContact O-N 3.27Å
199	I	91.8	Very high	91.2	Very high	98 Å²	98	104.9 Å²	104.9	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-42.3	174.3	-70.7	164.3	0	0	0	110.6	K195 R196 L197 E201 I202 N203	K195-I199 WeakPolarHBondContact O-CB 3.42Å; K195-I199 WeakPolarHBondContact O-CD1 3.34Å; K195-I199 WeakPolarHBondContact O-CG1 3.38Å; K195-I199 PolarHBondContact O-N 2.97Å; R196-I199 PolarHBondContact O-N 2.98Å; L197-I199 VanDerWaalsContact C-N 3.32Å; L197-I199 PolarHBondContact O-N 3.44Å; I199-E201 VanDerWaalsContact C-N 3.35Å; I199-I202 PolarHBondContact O-N 2.87Å; I199-N203 WeakPolarHBondContact O-CB 3.44Å; I199-N203 PolarHBondContact O-N 2.91Å; I199-N203 PolarHBondContact O-ND2 3.25Å
200	S	91.8	Very high	90.6	Very high	65 Å²	65	102.3 Å²	102.3	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-63.7	-39.4	175.6	56.8	0	0	0	0	112.8	R196 L197 L198 N203 A204	R196-S200 PolarHBondContact O-N 3.47Å; R196-S200 PolarHBondContact O-OG 3.31Å; L197-S200 WeakPolarHBondContact CA-OG 3.42Å; L197-S200 PolarHBondContact O-N 3.21Å; L197-S200 VanDerWaalsContact O-N 3.16Å; L197-S200 PolarHBondContact O-OG 2.84Å; L198-S200 VanDerWaalsContact C-N 3.34Å; S200-N203 PolarHBondContact O-N 2.83Å; S200-A204 WeakPolarHBondContact O-CB 3.5Å; S200-A204 PolarHBondContact O-N 3.46Å
201	E	93.8	Very high	90	Very high	116 Å²	116	101.1 Å²	101.1	54%	0.542	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-44.3	177	-170.7	62.2	-155	0	0	111.7	L197 L198 I199 N203 A204 M205	L197-E201 PolarHBondContact O-N 3.22Å; L198-E201 PolarHBondContact O-N 2.9Å; I199-E201 VanDerWaalsContact C-N 3.35Å; E201-N203 VanDerWaalsContact C-N 3.28Å; E201-N203 PolarHBondContact O-N 3.01Å; E201-A204 PolarHBondContact O-N 3.37Å; E201-M205 WeakPolarHBondContact O-CB 3.33Å; E201-M205 WeakPolarHBondContact O-CG 3.44Å; E201-M205 PolarHBondContact O-N 3.41Å
202	I	90.7	Very high	89.2	Confident	88 Å²	88	99.8 Å²	99.8	45%	0.451	51%	0.509	S	S	.	.	H	α-helix	trans	-59.5	-42.3	175.1	-70.8	166.3	0	0	0	110.5	L198 I199 M205 R206	L198-I202 WeakPolarHBondContact O-CB 3.3Å; L198-I202 VanDerWaalsContact O-CG1 3.26Å; L198-I202 WeakPolarHBondContact O-CG1 3.46Å; L198-I202 PolarHBondContact O-N 3.27Å; I199-I202 PolarHBondContact O-N 2.87Å; I202-M205 PolarHBondContact O-N 2.95Å; I202-R206 HydrophobicContact CG2-CG 4.49Å; I202-R206 WeakPolarHBondContact O-CB 3.44Å; I202-R206 VanDerWaalsContact O-CG 3.25Å; I202-R206 WeakPolarHBondContact O-CG 3.47Å; I202-R206 PolarHBondContact O-N 3.4Å
203	N	88.5	Confident	88.2	Confident	89 Å²	89	101 Å²	101	48%	0.476	50%	0.504	S	S	.	.	H	α-helix	trans	-66.6	-39.4	177.8	-70.7	-19	0	0	0	111.8	I199 S200 E201 R206 M207	I199-N203 WeakPolarHBondContact O-CB 3.44Å; I199-N203 PolarHBondContact O-N 2.91Å; I199-N203 PolarHBondContact O-ND2 3.25Å; S200-N203 PolarHBondContact O-N 2.83Å; E201-N203 VanDerWaalsContact C-N 3.28Å; E201-N203 PolarHBondContact O-N 3.01Å; N203-R206 PolarHBondContact O-N 2.87Å; N203-M207 VanDerWaalsContact O-CG 3.31Å; N203-M207 WeakPolarHBondContact O-CG 3.36Å; N203-M207 PolarHBondContact O-N 2.94Å
204	A	92.6	Very high	87	Confident	41 Å²	41	100 Å²	100	34%	0.339	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-44	175	0	0	0	0	0	112.1	S200 E201 R206 M207 Q208	S200-A204 WeakPolarHBondContact O-CB 3.5Å; S200-A204 PolarHBondContact O-N 3.46Å; E201-A204 PolarHBondContact O-N 3.37Å; A204-R206 VanDerWaalsContact C-N 3.35Å; A204-R206 PolarHBondContact O-N 3.38Å; A204-M207 WeakPolarHBondContact O-CB 3.25Å; A204-M207 PolarHBondContact O-N 3.47Å; A204-Q208 PolarHBondContact O-N 2.84Å
205	M	87.8	Confident	85.4	Confident	115 Å²	115	101.6 Å²	101.6	57%	0.567	51%	0.514	S	S	*	.	H	α-helix	trans	-64.2	-38.3	175.4	-72	-124.3	-62.3	0	0	112.3	E201 I202 Q208 F209	E201-M205 WeakPolarHBondContact O-CB 3.33Å; E201-M205 WeakPolarHBondContact O-CG 3.44Å; E201-M205 PolarHBondContact O-N 3.41Å; I202-M205 PolarHBondContact O-N 2.95Å; M205-Q208 PolarHBondContact O-N 3.1Å; M205-F209 VanDerWaalsContact O-CB 3.29Å; M205-F209 WeakPolarHBondContact O-CB 3.38Å; M205-F209 PolarHBondContact O-N 3.24Å
206	R	87.8	Confident	83.6	Confident	163 Å²	163	98.9 Å²	98.9	62%	0.615	51%	0.509	S	S	*	.	H	α-helix	trans	-62	-44.2	173.1	-77.2	172.9	-179.7	-112.6	1.7	111.2	I202 N203 A204 F209 D210	I202-R206 HydrophobicContact CG2-CG 4.49Å; I202-R206 WeakPolarHBondContact O-CB 3.44Å; I202-R206 VanDerWaalsContact O-CG 3.25Å; I202-R206 WeakPolarHBondContact O-CG 3.47Å; I202-R206 PolarHBondContact O-N 3.4Å; N203-R206 PolarHBondContact O-N 2.87Å; A204-R206 VanDerWaalsContact C-N 3.35Å; A204-R206 PolarHBondContact O-N 3.38Å; R206-F209 PolarHBondContact O-N 2.83Å; R206-D210 WeakPolarHBondContact O-CB 3.38Å; R206-D210 VanDerWaalsContact O-CG 3.26Å; R206-D210 PolarHBondContact O-N 3.35Å
207	M	85.3	Confident	81.7	Confident	117 Å²	117	97.5 Å²	97.5	58%	0.576	51%	0.508	S	S	*	.	H	α-helix	trans	-59.4	-47.8	174.3	-70.9	-123.9	63	0	0	112	N203 A204 F209 D210 E211	N203-M207 VanDerWaalsContact O-CG 3.31Å; N203-M207 WeakPolarHBondContact O-CG 3.36Å; N203-M207 PolarHBondContact O-N 2.94Å; A204-M207 WeakPolarHBondContact O-CB 3.25Å; A204-M207 PolarHBondContact O-N 3.47Å; M207-F209 VanDerWaalsContact C-N 3.34Å; M207-F209 PolarHBondContact O-N 3.4Å; M207-D210 PolarHBondContact O-N 3.49Å; M207-E211 WeakPolarHBondContact O-CG 3.2Å; M207-E211 PolarHBondContact O-N 3.44Å
208	Q	87.3	Confident	79.9	Confident	118 Å²	118	99.4 Å²	99.4	55%	0.551	51%	0.513	S	S	*	.	H	α-helix	trans	-64.3	-37.8	177.1	-72.5	-174.8	12.8	0	0	112.7	A204 M205 E211 S212	A204-Q208 PolarHBondContact O-N 2.84Å; M205-Q208 PolarHBondContact O-N 3.1Å; Q208-E211 PolarHBondContact O-N 3.29Å; Q208-S212 VanDerWaalsContact O-CB 3.3Å; Q208-S212 WeakPolarHBondContact O-CB 3.43Å; Q208-S212 PolarHBondContact O-N 3.07Å; Q208-S212 PolarHBondContact O-OG 3.31Å
209	F	81.4	Confident	77.8	Confident	131 Å²	131	100.3 Å²	100.3	58%	0.575	52%	0.518	S	S	*	.	H	α-helix	trans	-65.7	-44.9	176.9	-175.6	-92.6	0	0	0	110.8	M205 R206 M207 E211 S212 E213	M205-F209 VanDerWaalsContact O-CB 3.29Å; M205-F209 WeakPolarHBondContact O-CB 3.38Å; M205-F209 PolarHBondContact O-N 3.24Å; R206-F209 PolarHBondContact O-N 2.83Å; M207-F209 VanDerWaalsContact C-N 3.34Å; M207-F209 PolarHBondContact O-N 3.4Å; F209-E211 VanDerWaalsContact C-N 3.28Å; F209-E211 PolarHBondContact O-N 2.88Å; F209-S212 PolarHBondContact O-N 2.92Å; F209-S212 VanDerWaalsContact O-N 3.16Å; F209-E213 HydrophobicContact CE1-CB 4.31Å; F209-E213 HydrophobicContact CE1-CG 4.36Å; F209-E213 VanDerWaalsContact O-CB 3.31Å; F209-E213 WeakPolarHBondContact O-CB 3.45Å; F209-E213 PolarHBondContact O-N 2.84Å
210	D	81.7	Confident	75.5	Confident	106 Å²	106	103.6 Å²	103.6	57%	0.567	53%	0.532	S	S	*	.	H	α-helix	trans	-60.8	-39	176.3	-70.7	-15.9	0	0	0	111.1	R206 M207 G214	R206-D210 WeakPolarHBondContact O-CB 3.38Å; R206-D210 VanDerWaalsContact O-CG 3.26Å; R206-D210 PolarHBondContact O-N 3.35Å; M207-D210 PolarHBondContact O-N 3.49Å; D210-G214 PolarHBondContact O-N 3.49Å; D210-G214 VanDerWaalsContact O-N 3.17Å
211	E	80.9	Confident	72.9	Confident	125 Å²	125	105.1 Å²	105.1	58%	0.584	54%	0.542	S	S	*	.	H	α-helix	trans	-63.8	-47	172	-71.7	171.7	-174.2	0	0	112.2	M207 Q208 F209 G214 V215	M207-E211 WeakPolarHBondContact O-CG 3.2Å; M207-E211 PolarHBondContact O-N 3.44Å; Q208-E211 PolarHBondContact O-N 3.29Å; F209-E211 VanDerWaalsContact C-N 3.28Å; F209-E211 PolarHBondContact O-N 2.88Å; E211-G214 PolarHBondContact O-N 3.15Å; E211-V215 WeakPolarHBondContact O-CG2 3.23Å; E211-V215 PolarHBondContact O-N 3.27Å; E211-V215 VanDerWaalsContact O-N 3.08Å
212	S	76.6	Confident	70.2	Confident	62 Å²	62	107.6 Å²	107.6	43%	0.434	55%	0.551	S	S	.	*	H	α-helix	trans	-67.5	-38.4	-178.1	-56.1	0	0	0	0	112.7	Q208 F209 G214 V215 S216	Q208-S212 VanDerWaalsContact O-CB 3.3Å; Q208-S212 WeakPolarHBondContact O-CB 3.43Å; Q208-S212 PolarHBondContact O-N 3.07Å; Q208-S212 PolarHBondContact O-OG 3.31Å; F209-S212 PolarHBondContact O-N 2.92Å; F209-S212 VanDerWaalsContact O-N 3.16Å; S212-G214 VanDerWaalsContact C-N 3.3Å; S212-V215 PolarHBondContact O-N 3.17Å; S212-S216 VanDerWaalsContact O-CB 3.29Å; S212-S216 WeakPolarHBondContact O-CB 3.15Å; S212-S216 PolarHBondContact O-N 3.48Å; S212-S216 PolarHBondContact O-OG 2.81Å
213	E	73	Confident	67.5	Low	81 Å²	81	110.5 Å²	110.5	38%	0.379	57%	0.573	S	S	.	*	H	α-helix	trans	-67.2	-37.2	176.6	-153.6	-143.4	-179	0	0	109.6	F209 S216 K217	F209-E213 HydrophobicContact CE1-CB 4.31Å; F209-E213 HydrophobicContact CE1-CG 4.36Å; F209-E213 VanDerWaalsContact O-CB 3.31Å; F209-E213 WeakPolarHBondContact O-CB 3.45Å; F209-E213 PolarHBondContact O-N 2.84Å; E213-S216 PolarHBondContact O-N 3.42Å; E213-K217 VanDerWaalsContact CD-CE 3.48Å; E213-K217 WeakPolarHBondContact O-CB 3.37Å; E213-K217 VanDerWaalsContact O-CG 3.28Å; E213-K217 WeakPolarHBondContact O-CG 3.4Å; E213-K217 PolarHBondContact O-N 2.89Å; E213-K217 WeakPolarHBondContact OE1-CE 3.3Å; E213-K217 IonicContact OE1-NZ 3.78Å; E213-K217 PolarHBondContact OE1-NZ 3.33Å; E213-K217 IonicContact OE2-NZ 2.81Å; E213-K217 PolarHBondContact OE2-NZ 3.5Å
214	G	66.9	Low	64.6	Low	42 Å²	42	112.6 Å²	112.6	43%	0.433	58%	0.584	S	S	.	*	H	α-helix	trans	-56.5	-46.1	168.4	0	0	0	0	0	113	D210 E211 S212 Q218	D210-G214 PolarHBondContact O-N 3.49Å; D210-G214 VanDerWaalsContact O-N 3.17Å; E211-G214 PolarHBondContact O-N 3.15Å; S212-G214 VanDerWaalsContact C-N 3.3Å; G214-Q218 PolarHBondContact O-N 3.48Å
215	V	62.6	Low	61.7	Low	79 Å²	79	121 Å²	121	48%	0.479	61%	0.608	S	S	.	*	H	α-helix	trans	-71.1	-40.6	178	177.5	0	0	0	0	112.2	E211 S212 Q218 L219	E211-V215 WeakPolarHBondContact O-CG2 3.23Å; E211-V215 PolarHBondContact O-N 3.27Å; E211-V215 VanDerWaalsContact O-N 3.08Å; S212-V215 PolarHBondContact O-N 3.17Å; V215-Q218 CarbonylContact O-C 3.58Å; V215-Q218 WeakPolarHBondContact O-CA 3.18Å; V215-Q218 WeakPolarHBondContact O-CB 3.44Å; V215-Q218 PolarHBondContact O-N 3.31Å; V215-L219 HydrophobicContact CG1-CD1 4.21Å; V215-L219 PolarHBondContact O-N 3.37Å
216	S	56.4	Low	59.2	Low	58 Å²	58	124.2 Å²	124.2	41%	0.406	62%	0.621	S	S	.	*	H	α-helix	trans	-67.9	-38	-178.1	-62.9	0	0	0	0	111.6	S212 E213 Q218 L219 Q220	S212-S216 VanDerWaalsContact O-CB 3.29Å; S212-S216 WeakPolarHBondContact O-CB 3.15Å; S212-S216 PolarHBondContact O-N 3.48Å; S212-S216 PolarHBondContact O-OG 2.81Å; E213-S216 PolarHBondContact O-N 3.42Å; S216-Q218 PolarHBondContact O-N 3.45Å; S216-L219 PolarHBondContact O-N 2.72Å; S216-Q220 WeakPolarHBondContact O-CG 3.39Å; S216-Q220 PolarHBondContact O-N 2.74Å
217	K	54.7	Low	56.7	Low	136 Å²	136	123.2 Å²	123.2	59%	0.591	63%	0.628	S	S	*	*	H	α-helix	trans	-59.6	-26.6	169.1	-76.9	171.5	178.8	160.7	0	111.9	E213	E213-K217 VanDerWaalsContact CD-CE 3.48Å; E213-K217 WeakPolarHBondContact O-CB 3.37Å; E213-K217 VanDerWaalsContact O-CG 3.28Å; E213-K217 WeakPolarHBondContact O-CG 3.4Å; E213-K217 PolarHBondContact O-N 2.89Å; E213-K217 WeakPolarHBondContact OE1-CE 3.3Å; E213-K217 IonicContact OE1-NZ 3.78Å; E213-K217 PolarHBondContact OE1-NZ 3.33Å; E213-K217 IonicContact OE2-NZ 2.81Å; E213-K217 PolarHBondContact OE2-NZ 3.5Å
218	Q	53.4	Low	54.9	Low	148 Å²	148	121.8 Å²	121.8	69%	0.692	62%	0.622	S	S	*	*	H	α-helix	trans	-81.2	-40.3	175.5	-139.3	164.6	15.9	0	0	112.7	G214 V215 S216 S221	G214-Q218 PolarHBondContact O-N 3.48Å; V215-Q218 CarbonylContact O-C 3.58Å; V215-Q218 WeakPolarHBondContact O-CA 3.18Å; V215-Q218 WeakPolarHBondContact O-CB 3.44Å; V215-Q218 PolarHBondContact O-N 3.31Å; S216-Q218 PolarHBondContact O-N 3.45Å; Q218-S221 PolarHBondContact O-OG 3.29Å
219	L	48.6	Very low	53.4	Low	128 Å²	128	121.1 Å²	121.1	67%	0.67	63%	0.629	S	S	*	*	H	α-helix	trans	-78.3	-30	-175.9	-113.7	83.3	0	0	0	114.4	V215 S216 S221 K222	V215-L219 HydrophobicContact CG1-CD1 4.21Å; V215-L219 PolarHBondContact O-N 3.37Å; S216-L219 PolarHBondContact O-N 2.72Å; L219-S221 PolarHBondContact O-N 3.48Å; L219-K222 PolarHBondContact O-N 3.37Å
220	Q	43.4	Very low	52.6	Low	168 Å²	168	118.6 Å²	118.6	79%	0.785	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-4.2	-179.5	-78	-179.2	2.7	0	0	114.1	S216 K222	S216-Q220 WeakPolarHBondContact O-CG 3.39Å; S216-Q220 PolarHBondContact O-N 2.74Å; Q220-K222 VanDerWaalsContact C-N 3.28Å; Q220-K222 PolarHBondContact O-N 2.88Å
221	S	37.8	Very low	51.8	Low	96 Å²	96	117.9 Å²	117.9	67%	0.671	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-9.8	173.4	63.6	0	0	0	0	114.7	Q218 L219	Q218-S221 PolarHBondContact O-OG 3.29Å; L219-S221 PolarHBondContact O-N 3.48Å
222	K	36.4	Very low	51	Low	168 Å²	168	118.5 Å²	118.5	73%	0.73	63%	0.626	S	S	*	*	S	Bend	trans	-144.8	108.7	-179.6	-72.7	177.8	179.5	172.6	0	111.4	L219 Q220	L219-K222 PolarHBondContact O-N 3.37Å; Q220-K222 VanDerWaalsContact C-N 3.28Å; Q220-K222 PolarHBondContact O-N 2.88Å
223	T	34.9	Very low	51	Low	149 Å²	149	122.5 Å²	122.5	91%	0.914	64%	0.636	S	S	*	*			trans	170.2	107.1	131.2	42	0	0	0	0	109.8
224	N	28.3	Very low	51.1	Low	134 Å²	134	122.4 Å²	122.4	72%	0.717	64%	0.637	S	S	*	*			trans	-104.2	126.7	177.4	-113.8	-23.2	0	0	0	108.4
225	R	30.1	Very low	51.7	Low	218 Å²	218	122.6 Å²	122.6	82%	0.823	63%	0.634	S	S	*	*			trans	68.4	137.9	130.9	-61.2	176.2	-173	-162.2	-3.7	121.1
226	Q	36.2	Very low	52.6	Low	181 Å²	181	123.1 Å²	123.1	85%	0.846	63%	0.634	S	S	*	*			trans	99.4	96.1	155	-72.1	176.6	-30.1	0	0	118.5	D228	Q226-D228 PolarHBondContact O-N 3.35Å
227	D	35.4	Very low	54.1	Low	143 Å²	143	126.5 Å²	126.5	77%	0.765	64%	0.643	S	S	*	*			trans	17.2	66.9	137.7	-53.9	-12.7	0	0	0	117.7
228	D	46.5	Very low	55.6	Low	86 Å²	86	126.1 Å²	126.1	46%	0.46	64%	0.644	S	S	.	*			trans	-93	147.8	170.7	-173.7	-29	0	0	0	108.9	Q226 V230 L231	Q226-D228 PolarHBondContact O-N 3.35Å; D228-V230 HydrophobicContact CB-CB 4.08Å; D228-V230 CarbonylContact O-C 3.57Å; D228-V230 PolarHBondContact O-N 3.08Å; D228-V230 WeakPolarHBondContact OD1-CG2 3.43Å; D228-V230 PolarHBondContact OD1-N 2.85Å; D228-L231 WeakPolarHBondContact O-CA 3.38Å; D228-L231 WeakPolarHBondContact O-CB 3.5Å; D228-L231 PolarHBondContact O-N 3.01Å
229	P	56.4	Low	57.1	Low	105 Å²	105	122 Å²	122	68%	0.682	63%	0.634	S	S	*	*	H	α-helix	trans	-45.5	-23.5	162.5	12.5	-27.6	0	0	0	114.5	L231 L232 K233	P229-L231 VanDerWaalsContact C-N 3.3Å; P229-L231 PolarHBondContact O-N 2.93Å; P229-L232 PolarHBondContact O-N 3.22Å; P229-L232 VanDerWaalsContact O-N 3.17Å; P229-K233 PolarHBondContact O-N 3.48Å
230	V	64.9	Low	59.1	Low	78 Å²	78	124 Å²	124	47%	0.473	63%	0.633	S	S	.	*	H	α-helix	trans	-56.2	-40.4	165.4	176.9	0	0	0	0	112.1	D228 L232 K233 I234	D228-V230 HydrophobicContact CB-CB 4.08Å; D228-V230 CarbonylContact O-C 3.57Å; D228-V230 PolarHBondContact O-N 3.08Å; D228-V230 WeakPolarHBondContact OD1-CG2 3.43Å; D228-V230 PolarHBondContact OD1-N 2.85Å; V230-L232 VanDerWaalsContact C-N 3.32Å; V230-L232 PolarHBondContact O-N 2.88Å; V230-K233 PolarHBondContact O-N 3.3Å; V230-I234 HydrophobicContact CG1-CD1 3.74Å; V230-I234 HydrophobicContact CG1-CG1 4.28Å; V230-I234 WeakPolarHBondContact O-CB 3.29Å; V230-I234 WeakPolarHBondContact O-CG1 3.46Å; V230-I234 PolarHBondContact O-N 3.05Å
231	L	64.1	Low	61.4	Low	90 Å²	90	123.6 Å²	123.6	47%	0.471	63%	0.629	S	S	.	*	H	α-helix	trans	-61.8	-36.2	174.1	-157.8	83.6	0	0	0	112.3	D228 P229 I234 A235	D228-L231 WeakPolarHBondContact O-CA 3.38Å; D228-L231 WeakPolarHBondContact O-CB 3.5Å; D228-L231 PolarHBondContact O-N 3.01Å; P229-L231 VanDerWaalsContact C-N 3.3Å; P229-L231 PolarHBondContact O-N 2.93Å; L231-I234 CarbonylContact O-C 3.6Å; L231-I234 PolarHBondContact O-N 3.33Å; L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.43Å; L231-A235 PolarHBondContact O-N 2.92Å
232	L	65.2	Low	63.8	Low	138 Å²	138	121.9 Å²	121.9	72%	0.723	62%	0.62	S	S	*	*	H	α-helix	trans	-71.7	-37.3	177.2	-147.4	81.7	0	0	0	111.3	P229 V230 A235 L236	P229-L232 PolarHBondContact O-N 3.22Å; P229-L232 VanDerWaalsContact O-N 3.17Å; V230-L232 VanDerWaalsContact C-N 3.32Å; V230-L232 PolarHBondContact O-N 2.88Å; L232-A235 PolarHBondContact O-N 3.25Å; L232-L236 WeakPolarHBondContact O-CB 3.32Å; L232-L236 PolarHBondContact O-N 2.82Å
233	K	77.1	Confident	66.4	Low	147 Å²	147	119.1 Å²	119.1	64%	0.639	61%	0.61	S	S	*	*	H	α-helix	trans	-65.1	-42.6	171.4	-167.4	176.2	-179.7	-177	0	111	P229 V230 L236 E237	P229-K233 PolarHBondContact O-N 3.48Å; V230-K233 PolarHBondContact O-N 3.3Å; K233-L236 PolarHBondContact O-N 2.96Å; K233-E237 VanDerWaalsContact O-CB 3.26Å; K233-E237 WeakPolarHBondContact O-CB 3.4Å; K233-E237 PolarHBondContact O-N 3.01Å
234	I	74.9	Confident	69.1	Low	79 Å²	79	115.4 Å²	115.4	41%	0.405	59%	0.591	S	S	.	*	H	α-helix	trans	-60.6	-45.8	172.7	-69.8	164.6	0	0	0	110.1	V230 L231 L236 E237 Q238	V230-I234 HydrophobicContact CG1-CD1 3.74Å; V230-I234 HydrophobicContact CG1-CG1 4.28Å; V230-I234 WeakPolarHBondContact O-CB 3.29Å; V230-I234 WeakPolarHBondContact O-CG1 3.46Å; V230-I234 PolarHBondContact O-N 3.05Å; L231-I234 CarbonylContact O-C 3.6Å; L231-I234 PolarHBondContact O-N 3.33Å; I234-L236 PolarHBondContact O-N 3.44Å; I234-E237 CarbonylContact O-C 3.58Å; I234-E237 PolarHBondContact O-N 3Å; I234-Q238 WeakPolarHBondContact O-CB 3.28Å; I234-Q238 PolarHBondContact O-N 3.32Å
235	A	79.1	Confident	72.1	Confident	46 Å²	46	111.7 Å²	111.7	38%	0.38	58%	0.578	S	S	.	*	H	α-helix	trans	-64.4	-40.2	179.5	0	0	0	0	0	111.7	L231 L232 Q238 A239	L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.43Å; L231-A235 PolarHBondContact O-N 2.92Å; L232-A235 PolarHBondContact O-N 3.25Å; A235-Q238 CarbonylContact O-C 3.57Å; A235-Q238 WeakPolarHBondContact O-CB 3.49Å; A235-Q238 PolarHBondContact O-N 3.35Å; A235-A239 VanDerWaalsContact O-CB 3.32Å; A235-A239 WeakPolarHBondContact O-CB 3.33Å; A235-A239 PolarHBondContact O-N 3.42Å
236	L	81.9	Confident	74.9	Confident	90 Å²	90	104.3 Å²	104.3	47%	0.471	56%	0.56	S	S	.	*	H	α-helix	trans	-66	-39.8	174.1	-176.4	142.7	0	0	0	111.6	L232 K233 I234 A239 R240	L232-L236 WeakPolarHBondContact O-CB 3.32Å; L232-L236 PolarHBondContact O-N 2.82Å; K233-L236 PolarHBondContact O-N 2.96Å; I234-L236 PolarHBondContact O-N 3.44Å; L236-A239 PolarHBondContact O-N 3.5Å; L236-R240 WeakPolarHBondContact O-CB 3.23Å; L236-R240 WeakPolarHBondContact O-CG 3.27Å; L236-R240 PolarHBondContact O-N 3.37Å
237	E	87.7	Confident	77.6	Confident	129 Å²	129	100.7 Å²	100.7	60%	0.603	54%	0.543	S	S	*	.	H	α-helix	trans	-68.3	-36.3	174.6	-164.7	154.4	-172	0	0	111.6	K233 I234 R240 K241	K233-E237 VanDerWaalsContact O-CB 3.26Å; K233-E237 WeakPolarHBondContact O-CB 3.4Å; K233-E237 PolarHBondContact O-N 3.01Å; I234-E237 CarbonylContact O-C 3.58Å; I234-E237 PolarHBondContact O-N 3Å; E237-R240 PolarHBondContact O-N 3.11Å; E237-K241 VanDerWaalsContact O-CB 3.25Å; E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 PolarHBondContact O-N 2.92Å
238	Q	86.2	Confident	80.3	Confident	128 Å²	128	100.6 Å²	100.6	60%	0.598	54%	0.536	S	S	*	.	H	α-helix	trans	-66.1	-41.5	171.4	-118.9	165.7	-6.7	0	0	111.6	I234 A235 K241 A242	I234-Q238 WeakPolarHBondContact O-CB 3.28Å; I234-Q238 PolarHBondContact O-N 3.32Å; A235-Q238 CarbonylContact O-C 3.57Å; A235-Q238 WeakPolarHBondContact O-CB 3.49Å; A235-Q238 PolarHBondContact O-N 3.35Å; Q238-K241 PolarHBondContact O-N 3.24Å; Q238-A242 WeakPolarHBondContact O-CB 3.28Å; Q238-A242 PolarHBondContact O-N 3.14Å
239	A	85	Confident	82.5	Confident	60 Å²	60	102 Å²	102	50%	0.496	54%	0.54	S	S	.	.	H	α-helix	trans	-65.5	-43.1	176.3	0	0	0	0	0	111.1	A235 L236 K241 A242 Q243	A235-A239 VanDerWaalsContact O-CB 3.32Å; A235-A239 WeakPolarHBondContact O-CB 3.33Å; A235-A239 PolarHBondContact O-N 3.42Å; L236-A239 PolarHBondContact O-N 3.5Å; A239-K241 VanDerWaalsContact C-N 3.33Å; A239-K241 PolarHBondContact O-N 3.41Å; A239-A242 PolarHBondContact O-N 2.81Å; A239-Q243 WeakPolarHBondContact O-CB 3.4Å; A239-Q243 PolarHBondContact O-N 3.18Å
240	R	90.3	Very high	84	Confident	170 Å²	170	100.2 Å²	100.2	64%	0.642	53%	0.527	S	S	*	.	H	α-helix	trans	-63.1	-39.1	172.6	-76.7	179.1	172.6	171.2	-1.4	112.2	L236 E237 Q243 S244	L236-R240 WeakPolarHBondContact O-CB 3.23Å; L236-R240 WeakPolarHBondContact O-CG 3.27Å; L236-R240 PolarHBondContact O-N 3.37Å; E237-R240 PolarHBondContact O-N 3.11Å; R240-Q243 PolarHBondContact O-N 3.47Å; R240-S244 WeakPolarHBondContact O-CB 3.09Å; R240-S244 PolarHBondContact O-N 2.94Å
241	K	90.2	Very high	85.1	Confident	160 Å²	160	100.8 Å²	100.8	70%	0.696	53%	0.53	S	S	*	.	H	α-helix	trans	-66.6	-41.6	175.6	-171.2	174.5	-178.9	177.5	0	111.6	E237 Q238 A239 S244 A245	E237-K241 VanDerWaalsContact O-CB 3.25Å; E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 PolarHBondContact O-N 2.92Å; Q238-K241 PolarHBondContact O-N 3.24Å; A239-K241 VanDerWaalsContact C-N 3.33Å; A239-K241 PolarHBondContact O-N 3.41Å; K241-S244 PolarHBondContact O-N 3.29Å; K241-A245 WeakPolarHBondContact O-CB 3.37Å; K241-A245 PolarHBondContact O-N 3.19Å
242	A	90.2	Very high	86.3	Confident	60 Å²	60	100.6 Å²	100.6	50%	0.496	53%	0.527	S	S	.	.	H	α-helix	trans	-64.9	-40.6	174.6	0	0	0	0	0	111.5	Q238 A239 A245 S246	Q238-A242 WeakPolarHBondContact O-CB 3.28Å; Q238-A242 PolarHBondContact O-N 3.14Å; A239-A242 PolarHBondContact O-N 2.81Å; A242-A245 PolarHBondContact O-N 3.47Å; A242-S246 WeakPolarHBondContact O-CB 3.39Å; A242-S246 PolarHBondContact O-N 2.78Å
243	Q	90.2	Very high	87.3	Confident	110 Å²	110	97.1 Å²	97.1	51%	0.514	51%	0.509	S	S	.	.	H	α-helix	trans	-61.5	-49.1	172.9	-178.1	-176.8	-10	0	0	111.1	A239 R240 A245 S246 E247	A239-Q243 WeakPolarHBondContact O-CB 3.4Å; A239-Q243 PolarHBondContact O-N 3.18Å; R240-Q243 PolarHBondContact O-N 3.47Å; Q243-A245 VanDerWaalsContact C-N 3.29Å; Q243-A245 PolarHBondContact O-N 2.71Å; Q243-S246 WeakPolarHBondContact O-CB 3.42Å; Q243-S246 PolarHBondContact O-N 2.85Å; Q243-S246 VanDerWaalsContact O-N 3.17Å; Q243-E247 HydrophobicContact CG-CG 4.46Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.46Å; Q243-E247 PolarHBondContact NE2-OE1 3.25Å; Q243-E247 WeakPolarHBondContact O-CB 3.17Å; Q243-E247 WeakPolarHBondContact O-CG 3Å; Q243-E247 PolarHBondContact O-N 2.72Å
244	S	91.3	Very high	87.7	Confident	72 Å²	72	96.7 Å²	96.7	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-36.7	178	-179.3	0	0	0	0	112.3	R240 K241 E247 F248	R240-S244 WeakPolarHBondContact O-CB 3.09Å; R240-S244 PolarHBondContact O-N 2.94Å; K241-S244 PolarHBondContact O-N 3.29Å; S244-E247 PolarHBondContact O-N 2.92Å; S244-F248 VanDerWaalsContact O-CB 3.29Å; S244-F248 WeakPolarHBondContact O-CB 3.26Å; S244-F248 PolarHBondContact O-N 3.32Å
245	A	91.1	Very high	88	Confident	56 Å²	56	95.9 Å²	95.9	46%	0.463	51%	0.512	S	S	.	.	H	α-helix	trans	-66.1	-42.1	173.9	0	0	0	0	0	112	K241 A242 Q243 F248 E249	K241-A245 WeakPolarHBondContact O-CB 3.37Å; K241-A245 PolarHBondContact O-N 3.19Å; A242-A245 PolarHBondContact O-N 3.47Å; Q243-A245 VanDerWaalsContact C-N 3.29Å; Q243-A245 PolarHBondContact O-N 2.71Å; A245-F248 WeakPolarHBondContact O-CB 3.35Å; A245-F248 PolarHBondContact O-N 2.68Å; A245-E249 WeakPolarHBondContact O-CB 3.44Å; A245-E249 PolarHBondContact O-N 3.4Å
246	S	89	Confident	88.2	Confident	63 Å²	63	98.7 Å²	98.7	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-42.6	174	147.5	0	0	0	0	112	A242 Q243 F248 E249 V250	A242-S246 WeakPolarHBondContact O-CB 3.39Å; A242-S246 PolarHBondContact O-N 2.78Å; Q243-S246 WeakPolarHBondContact O-CB 3.42Å; Q243-S246 PolarHBondContact O-N 2.85Å; Q243-S246 VanDerWaalsContact O-N 3.17Å; S246-F248 VanDerWaalsContact C-N 3.32Å; S246-E249 PolarHBondContact O-N 3.09Å; S246-V250 VanDerWaalsContact O-CG2 3.3Å; S246-V250 WeakPolarHBondContact O-CG2 3.34Å; S246-V250 PolarHBondContact O-N 3.45Å
247	E	93	Very high	87.8	Confident	104 Å²	104	102.1 Å²	102.1	49%	0.486	53%	0.526	S	S	.	.	H	α-helix	trans	-64.4	-40.8	176.2	-74.6	172.8	-173.9	0	0	110.7	Q243 S244 V250 V251	Q243-E247 HydrophobicContact CG-CG 4.46Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.46Å; Q243-E247 PolarHBondContact NE2-OE1 3.25Å; Q243-E247 WeakPolarHBondContact O-CB 3.17Å; Q243-E247 WeakPolarHBondContact O-CG 3Å; Q243-E247 PolarHBondContact O-N 2.72Å; S244-E247 PolarHBondContact O-N 2.92Å; E247-V250 PolarHBondContact O-N 3.13Å; E247-V251 WeakPolarHBondContact O-CG2 3.5Å; E247-V251 PolarHBondContact O-N 2.76Å
248	F	92.1	Very high	87.4	Confident	141 Å²	141	101.4 Å²	101.4	62%	0.618	53%	0.53	S	S	*	.	H	α-helix	trans	-61.9	-45.7	173.6	-178.6	-94.3	0	0	0	111.7	S244 A245 S246 V250 V251 Q252	S244-F248 VanDerWaalsContact O-CB 3.29Å; S244-F248 WeakPolarHBondContact O-CB 3.26Å; S244-F248 PolarHBondContact O-N 3.32Å; A245-F248 WeakPolarHBondContact O-CB 3.35Å; A245-F248 PolarHBondContact O-N 2.68Å; S246-F248 VanDerWaalsContact C-N 3.32Å; F248-V250 VanDerWaalsContact C-N 3.32Å; F248-V250 PolarHBondContact O-N 3.12Å; F248-V251 PolarHBondContact O-N 2.98Å; F248-V251 VanDerWaalsContact O-N 3.17Å; F248-Q252 WeakPolarHBondContact O-CB 3.12Å; F248-Q252 PolarHBondContact O-N 2.95Å
249	E	92.6	Very high	86.8	Confident	116 Å²	116	102.2 Å²	102.2	54%	0.542	54%	0.538	S	S	.	.	H	α-helix	trans	-61	-40.7	175.9	-172.3	178.9	-173.8	0	0	111.3	A245 S246 V251 Q252 L253	A245-E249 WeakPolarHBondContact O-CB 3.44Å; A245-E249 PolarHBondContact O-N 3.4Å; S246-E249 PolarHBondContact O-N 3.09Å; E249-V251 PolarHBondContact O-N 3.24Å; E249-Q252 PolarHBondContact O-N 3.26Å; E249-L253 HydrophobicContact CG-CD1 4.25Å; E249-L253 HydrophobicContact CG-CG 4.5Å; E249-L253 WeakPolarHBondContact O-CB 3.43Å; E249-L253 VanDerWaalsContact O-CG 3.27Å; E249-L253 WeakPolarHBondContact O-CG 3.4Å; E249-L253 PolarHBondContact O-N 3.45Å
250	V	89.1	Confident	86.7	Confident	67 Å²	67	103.4 Å²	103.4	41%	0.406	54%	0.539	S	S	.	.	H	α-helix	trans	-65.2	-39.4	174.9	170.3	0	0	0	0	111.6	S246 E247 F248 K254	S246-V250 VanDerWaalsContact O-CG2 3.3Å; S246-V250 WeakPolarHBondContact O-CG2 3.34Å; S246-V250 PolarHBondContact O-N 3.45Å; E247-V250 PolarHBondContact O-N 3.13Å; F248-V250 VanDerWaalsContact C-N 3.32Å; F248-V250 PolarHBondContact O-N 3.12Å; V250-K254 HydrophobicContact CG1-CD 4.24Å; V250-K254 WeakPolarHBondContact O-CB 3.32Å; V250-K254 VanDerWaalsContact O-CG 3.23Å; V250-K254 WeakPolarHBondContact O-CG 3.37Å; V250-K254 PolarHBondContact O-N 3.49Å
251	V	87.9	Confident	86.2	Confident	90 Å²	90	100 Å²	100	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-66.8	-42	175.2	169.7	0	0	0	0	110.9	E247 F248 E249 K254 A255	E247-V251 WeakPolarHBondContact O-CG2 3.5Å; E247-V251 PolarHBondContact O-N 2.76Å; F248-V251 PolarHBondContact O-N 2.98Å; F248-V251 VanDerWaalsContact O-N 3.17Å; E249-V251 PolarHBondContact O-N 3.24Å; V251-K254 PolarHBondContact O-N 3.13Å; V251-A255 WeakPolarHBondContact O-CB 3.13Å; V251-A255 PolarHBondContact O-N 3.33Å
252	Q	87.4	Confident	85.9	Confident	87 Å²	87	96 Å²	96	41%	0.407	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-50.3	175.8	-179.8	177.9	-5.4	0	0	110.8	F248 E249 K254 A255 E256	F248-Q252 WeakPolarHBondContact O-CB 3.12Å; F248-Q252 PolarHBondContact O-N 2.95Å; E249-Q252 PolarHBondContact O-N 3.26Å; Q252-K254 VanDerWaalsContact C-N 3.29Å; Q252-K254 PolarHBondContact O-N 2.92Å; Q252-A255 WeakPolarHBondContact O-CB 3.4Å; Q252-A255 PolarHBondContact O-N 3.15Å; Q252-A255 VanDerWaalsContact O-N 3.07Å; Q252-E256 HydrophobicContact CG-CG 4.47Å; Q252-E256 VanDerWaalsContact CG-OE1 3.31Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.49Å; Q252-E256 PolarHBondContact NE2-OE1 3.08Å; Q252-E256 WeakPolarHBondContact O-CB 3.26Å; Q252-E256 WeakPolarHBondContact O-CG 3.37Å; Q252-E256 PolarHBondContact O-N 2.92Å
253	L	87.1	Confident	85.6	Confident	64 Å²	64	101.5 Å²	101.5	34%	0.335	54%	0.535	S	S	.	.	H	α-helix	trans	-58.3	-42.9	174.9	-74.3	173.4	0	0	0	110.6	E249 A255 E256 Y257	E249-L253 HydrophobicContact CG-CD1 4.25Å; E249-L253 HydrophobicContact CG-CG 4.5Å; E249-L253 WeakPolarHBondContact O-CB 3.43Å; E249-L253 VanDerWaalsContact O-CG 3.27Å; E249-L253 WeakPolarHBondContact O-CG 3.4Å; E249-L253 PolarHBondContact O-N 3.45Å; L253-A255 PolarHBondContact O-N 3.18Å; L253-E256 PolarHBondContact O-N 2.9Å; L253-Y257 HydrophobicContact CB-CD2 4.06Å; L253-Y257 HydrophobicContact CB-CE2 4.15Å; L253-Y257 HydrophobicContact CD2-CE2 3.98Å; L253-Y257 WeakPolarHBondContact O-CB 3.48Å; L253-Y257 WeakPolarHBondContact O-CD2 3.4Å; L253-Y257 PolarHBondContact O-N 2.98Å
254	K	84.9	Confident	85.6	Confident	138 Å²	138	100.8 Å²	100.8	60%	0.6	54%	0.542	S	S	*	.	H	α-helix	trans	-60.1	-44.7	174.2	-78.9	173.8	-179.4	179.6	0	111.8	V250 V251 Q252 Y257 V258	V250-K254 HydrophobicContact CG1-CD 4.24Å; V250-K254 WeakPolarHBondContact O-CB 3.32Å; V250-K254 VanDerWaalsContact O-CG 3.23Å; V250-K254 WeakPolarHBondContact O-CG 3.37Å; V250-K254 PolarHBondContact O-N 3.49Å; V251-K254 PolarHBondContact O-N 3.13Å; Q252-K254 VanDerWaalsContact C-N 3.29Å; Q252-K254 PolarHBondContact O-N 2.92Å; K254-Y257 PolarHBondContact O-N 3.04Å; K254-V258 WeakPolarHBondContact O-CG2 3.39Å; K254-V258 PolarHBondContact O-N 3.25Å
255	A	82.6	Confident	85.5	Confident	63 Å²	63	105.6 Å²	105.6	52%	0.521	55%	0.549	S	S	.	.	H	α-helix	trans	-64.3	-40.4	178.6	0	0	0	0	0	112.1	V251 Q252 L253	V251-A255 WeakPolarHBondContact O-CB 3.13Å; V251-A255 PolarHBondContact O-N 3.33Å; Q252-A255 WeakPolarHBondContact O-CB 3.4Å; Q252-A255 PolarHBondContact O-N 3.15Å; Q252-A255 VanDerWaalsContact O-N 3.07Å; L253-A255 PolarHBondContact O-N 3.18Å
256	E	82.2	Confident	85.4	Confident	104 Å²	104	109 Å²	109	49%	0.486	55%	0.55	S	S	.	*	H	α-helix	trans	-68.3	-41.2	174.3	-69.9	174.7	-168	0	0	111.3	Q252 L253 V258 N259	Q252-E256 HydrophobicContact CG-CG 4.47Å; Q252-E256 VanDerWaalsContact CG-OE1 3.31Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.49Å; Q252-E256 PolarHBondContact NE2-OE1 3.08Å; Q252-E256 WeakPolarHBondContact O-CB 3.26Å; Q252-E256 WeakPolarHBondContact O-CG 3.37Å; Q252-E256 PolarHBondContact O-N 2.92Å; L253-E256 PolarHBondContact O-N 2.9Å; E256-V258 VanDerWaalsContact C-N 3.35Å; E256-V258 PolarHBondContact O-N 2.9Å; E256-N259 PolarHBondContact O-N 2.77Å
257	Y	74.1	Confident	85.5	Confident	163 Å²	163	109.9 Å²	109.9	64%	0.639	55%	0.55	S	S	*	*	H	α-helix	trans	-72.9	-20	-179.3	-81.3	-63.3	0	0	0	114.2	L253 K254 N259 V260	L253-Y257 HydrophobicContact CB-CD2 4.06Å; L253-Y257 HydrophobicContact CB-CE2 4.15Å; L253-Y257 HydrophobicContact CD2-CE2 3.98Å; L253-Y257 WeakPolarHBondContact O-CB 3.48Å; L253-Y257 WeakPolarHBondContact O-CD2 3.4Å; L253-Y257 PolarHBondContact O-N 2.98Å; K254-Y257 PolarHBondContact O-N 3.04Å; Y257-N259 PolarHBondContact O-N 2.87Å; Y257-V260 HydrophobicContact CD1-CG2 3.58Å; Y257-V260 HydrophobicContact CE1-CG2 4.34Å; Y257-V260 HydrophobicContact CG-CG2 4.4Å
258	V	79	Confident	85.6	Confident	114 Å²	114	107.5 Å²	107.5	69%	0.691	55%	0.549	S	S	*	.	H	α-helix	trans	-61.7	-34.1	176.4	162.7	0	0	0	0	111.6	K254 E256	K254-V258 WeakPolarHBondContact O-CG2 3.39Å; K254-V258 PolarHBondContact O-N 3.25Å; E256-V258 VanDerWaalsContact C-N 3.35Å; E256-V258 PolarHBondContact O-N 2.9Å
259	N	74.6	Confident	85.6	Confident	145 Å²	145	105.6 Å²	105.6	78%	0.775	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	4.2	-172.7	-71.9	-21.5	0	0	0	114.5	E256 Y257	E256-N259 PolarHBondContact O-N 2.77Å; Y257-N259 PolarHBondContact O-N 2.87Å
260	V	81.2	Confident	85.7	Confident	84 Å²	84	106.6 Å²	106.6	51%	0.509	54%	0.543	S	S	.	.			trans	-104.4	141.2	179.5	-62.3	0	0	0	0	111.4	Y257	Y257-V260 HydrophobicContact CD1-CG2 3.58Å; Y257-V260 HydrophobicContact CE1-CG2 4.34Å; Y257-V260 HydrophobicContact CG-CG2 4.4Å
261	M	80.4	Confident	86	Confident	99 Å²	99	108.8 Å²	108.8	49%	0.488	55%	0.549	S	S	.	.			trans	-84.6	142.7	175	-69.1	-149.7	-45.3	0	0	111.7	K263 L269	M261-K263 PolarHBondContact O-N 3.45Å; M261-L269 HydrophobicContact CE-CD1 3.44Å; M261-L269 VanDerWaalsContact CE-CD1 3.44Å; M261-L269 HydrophobicContact SD-CD1 4.03Å
262	P	83.7	Confident	86.3	Confident	76 Å²	76	106.8 Å²	106.8	49%	0.494	54%	0.542	S	S	.	.			trans	-55.5	136.1	169.7	-24.6	33.7	0	0	0	111.5	S264 R265 Y266	P262-S264 VanDerWaalsContact C-N 3.26Å; P262-S264 PolarHBondContact O-N 2.83Å; P262-R265 PolarHBondContact O-N 3.14Å; P262-Y266 PolarHBondContact O-N 3.3Å
263	K	85.1	Confident	86.6	Confident	176 Å²	176	107.8 Å²	107.8	77%	0.765	55%	0.55	S	S	*	.	H	α-helix	trans	-50.8	-43.9	-179.9	-66.4	-173.9	179.5	-172	0	112.6	M261 R265 Y266 D267	M261-K263 PolarHBondContact O-N 3.45Å; K263-R265 VanDerWaalsContact C-N 3.31Å; K263-R265 PolarHBondContact O-N 2.83Å; K263-Y266 CarbonylContact O-C 3.53Å; K263-Y266 WeakPolarHBondContact O-CA 3.11Å; K263-Y266 WeakPolarHBondContact O-CB 3.27Å; K263-Y266 PolarHBondContact O-N 3.45Å; K263-D267 WeakPolarHBondContact O-CB 3.22Å; K263-D267 PolarHBondContact O-N 3.25Å
264	S	89.3	Confident	87	Confident	95 Å²	95	107 Å²	107	66%	0.664	55%	0.546	S	S	*	.	H	α-helix	trans	-58	-37.1	176.3	171	0	0	0	0	114.1	P262 A268	P262-S264 VanDerWaalsContact C-N 3.26Å; P262-S264 PolarHBondContact O-N 2.83Å; S264-A268 WeakPolarHBondContact O-CB 3.37Å; S264-A268 PolarHBondContact O-N 3.08Å
265	R	88.6	Confident	87.6	Confident	172 Å²	172	106.9 Å²	106.9	65%	0.649	55%	0.546	S	S	*	.	H	α-helix	trans	-73.4	-38.6	174.1	-77.1	-171.2	176.4	175.9	-0.6	111.6	P262 K263 A268 L269	P262-R265 PolarHBondContact O-N 3.14Å; K263-R265 VanDerWaalsContact C-N 3.31Å; K263-R265 PolarHBondContact O-N 2.83Å; R265-A268 PolarHBondContact O-N 3.35Å; R265-L269 WeakPolarHBondContact O-CB 3.12Å; R265-L269 WeakPolarHBondContact O-CG 3.36Å; R265-L269 PolarHBondContact O-N 3.01Å
266	Y	89	Confident	88.2	Confident	127 Å²	127	108.4 Å²	108.4	50%	0.498	55%	0.548	S	S	.	.	H	α-helix	trans	-60.6	-48	174.1	174.7	-91.2	0	0	0	111	P262 K263 A268 L269 W270	P262-Y266 PolarHBondContact O-N 3.3Å; K263-Y266 CarbonylContact O-C 3.53Å; K263-Y266 WeakPolarHBondContact O-CA 3.11Å; K263-Y266 WeakPolarHBondContact O-CB 3.27Å; K263-Y266 PolarHBondContact O-N 3.45Å; Y266-A268 PolarHBondContact O-N 3.21Å; Y266-L269 PolarHBondContact O-N 2.87Å; Y266-W270 HydrophobicContact CE1-CB 4.48Å; Y266-W270 WeakPolarHBondContact O-CB 3.21Å; Y266-W270 PolarHBondContact O-N 3.48Å
267	D	92.3	Very high	88.8	Confident	82 Å²	82	109.5 Å²	109.5	44%	0.439	55%	0.551	S	S	.	*	H	α-helix	trans	-62	-44.4	178.9	-60.8	-27.7	0	0	0	110.6	K263 L269 W270 E271	K263-D267 WeakPolarHBondContact O-CB 3.22Å; K263-D267 PolarHBondContact O-N 3.25Å; D267-L269 PolarHBondContact O-N 3.34Å; D267-W270 PolarHBondContact O-N 2.72Å; D267-E271 WeakPolarHBondContact O-CB 3.49Å; D267-E271 WeakPolarHBondContact O-CG 3.31Å; D267-E271 PolarHBondContact O-N 3.06Å
268	A	93.8	Very high	89.9	Confident	55 Å²	55	106.3 Å²	106.3	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-41.7	175.2	0	0	0	0	0	113	S264 R265 Y266 A272	S264-A268 WeakPolarHBondContact O-CB 3.37Å; S264-A268 PolarHBondContact O-N 3.08Å; R265-A268 PolarHBondContact O-N 3.35Å; Y266-A268 PolarHBondContact O-N 3.21Å; A268-A272 WeakPolarHBondContact O-CB 3.37Å; A268-A272 PolarHBondContact O-N 3.42Å
269	L	93.7	Very high	90.7	Very high	101 Å²	101	105.5 Å²	105.5	53%	0.529	54%	0.537	S	S	.	.	H	α-helix	trans	-68.8	-35.9	175.7	-79.6	167.2	0	0	0	111.8	M261 R265 Y266 D267 A272 N273	M261-L269 HydrophobicContact CE-CD1 3.44Å; M261-L269 VanDerWaalsContact CE-CD1 3.44Å; M261-L269 HydrophobicContact SD-CD1 4.03Å; R265-L269 WeakPolarHBondContact O-CB 3.12Å; R265-L269 WeakPolarHBondContact O-CG 3.36Å; R265-L269 PolarHBondContact O-N 3.01Å; Y266-L269 PolarHBondContact O-N 2.87Å; D267-L269 PolarHBondContact O-N 3.34Å; L269-A272 PolarHBondContact O-N 3.18Å; L269-N273 VanDerWaalsContact O-CB 3.23Å; L269-N273 WeakPolarHBondContact O-CB 3.38Å; L269-N273 PolarHBondContact O-N 3.34Å
270	W	93.7	Very high	91.7	Very high	137 Å²	137	106 Å²	106	52%	0.519	53%	0.529	S	S	.	.	H	α-helix	trans	-67.3	-44.4	177	-173.4	87	0	0	0	111.2	Y266 D267 N273 N274	Y266-W270 HydrophobicContact CE1-CB 4.48Å; Y266-W270 WeakPolarHBondContact O-CB 3.21Å; Y266-W270 PolarHBondContact O-N 3.48Å; D267-W270 PolarHBondContact O-N 2.72Å; W270-N273 PolarHBondContact O-N 3.28Å; W270-N274 WeakPolarHBondContact CH2-ND2 3.43Å; W270-N274 WeakPolarHBondContact CZ2-ND2 3.47Å; W270-N274 WeakPolarHBondContact CZ3-ND2 3.37Å; W270-N274 WeakPolarHBondContact O-CB 3.39Å; W270-N274 PolarHBondContact O-N 3.11Å
271	E	94.8	Very high	92.4	Very high	113 Å²	113	105.2 Å²	105.2	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-61.4	-44.4	172.3	-75.3	179.5	-172.4	0	0	112.1	D267 N274 K275	D267-E271 WeakPolarHBondContact O-CB 3.49Å; D267-E271 WeakPolarHBondContact O-CG 3.31Å; D267-E271 PolarHBondContact O-N 3.06Å; E271-N274 PolarHBondContact O-N 3.02Å; E271-K275 WeakPolarHBondContact O-CG 3.44Å; E271-K275 PolarHBondContact O-N 3.39Å
272	A	95.4	Very high	93.1	Very high	47 Å²	47	105.5 Å²	105.5	39%	0.388	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-43.2	176.4	0	0	0	0	0	111.6	A268 L269 N274 K275 V276	A268-A272 WeakPolarHBondContact O-CB 3.37Å; A268-A272 PolarHBondContact O-N 3.42Å; L269-A272 PolarHBondContact O-N 3.18Å; A272-N274 VanDerWaalsContact C-N 3.35Å; A272-N274 PolarHBondContact O-N 3.34Å; A272-K275 PolarHBondContact O-N 2.89Å; A272-V276 WeakPolarHBondContact O-CG2 3.49Å; A272-V276 PolarHBondContact O-N 3.04Å
273	N	93.9	Very high	93.7	Very high	108 Å²	108	107.1 Å²	107.1	58%	0.578	52%	0.523	S	S	*	.	H	α-helix	trans	-64.5	-39.5	177.3	-165.6	29.1	0	0	0	111.7	L269 W270 V276 K277	L269-N273 VanDerWaalsContact O-CB 3.23Å; L269-N273 WeakPolarHBondContact O-CB 3.38Å; L269-N273 PolarHBondContact O-N 3.34Å; W270-N273 PolarHBondContact O-N 3.28Å; N273-V276 PolarHBondContact O-N 3.26Å; N273-K277 WeakPolarHBondContact O-CB 3.36Å; N273-K277 PolarHBondContact O-N 3.45Å
274	N	95.5	Very high	94.2	Very high	49 Å²	49	101.6 Å²	101.6	26%	0.262	50%	0.502	S	S	.	.	H	α-helix	trans	-65.6	-38	174.5	-77.7	-17	0	0	0	112.7	W270 E271 A272 K277 N278	W270-N274 WeakPolarHBondContact CH2-ND2 3.43Å; W270-N274 WeakPolarHBondContact CZ2-ND2 3.47Å; W270-N274 WeakPolarHBondContact CZ3-ND2 3.37Å; W270-N274 WeakPolarHBondContact O-CB 3.39Å; W270-N274 PolarHBondContact O-N 3.11Å; E271-N274 PolarHBondContact O-N 3.02Å; A272-N274 VanDerWaalsContact C-N 3.35Å; A272-N274 PolarHBondContact O-N 3.34Å; N274-K277 PolarHBondContact O-N 3.21Å; N274-N278 WeakPolarHBondContact O-CB 3.37Å; N274-N278 PolarHBondContact O-N 2.88Å; N274-N278 PolarHBondContact O-ND2 3.35Å
275	K	95.9	Very high	94.5	Very high	135 Å²	135	103.4 Å²	103.4	59%	0.587	50%	0.497	S	S	*	.	H	α-helix	trans	-61.7	-50.1	173.2	-73.8	176.5	-175.4	176.3	0	111.3	E271 A272 K277 N278 D279	E271-K275 WeakPolarHBondContact O-CG 3.44Å; E271-K275 PolarHBondContact O-N 3.39Å; A272-K275 PolarHBondContact O-N 2.89Å; K275-K277 VanDerWaalsContact C-N 3.27Å; K275-K277 PolarHBondContact O-N 2.94Å; K275-N278 PolarHBondContact O-N 3.44Å; K275-D279 PolarHBondContact O-N 3.21Å
276	V	95.3	Very high	94.9	Very high	95 Å²	95	99.3 Å²	99.3	58%	0.576	49%	0.485	S	S	*	.	H	α-helix	trans	-58.8	-40.7	177.4	172.3	0	0	0	0	111.2	A272 N273 D279 Y280	A272-V276 WeakPolarHBondContact O-CG2 3.49Å; A272-V276 PolarHBondContact O-N 3.04Å; N273-V276 PolarHBondContact O-N 3.26Å; V276-D279 PolarHBondContact O-N 2.92Å; V276-Y280 WeakPolarHBondContact O-CB 3.27Å; V276-Y280 PolarHBondContact O-N 3.05Å
277	K	96.6	Very high	95.1	Very high	126 Å²	126	98.3 Å²	98.3	55%	0.548	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-46.5	176.4	-173.2	175.5	-179.4	178.1	0	112.2	N273 N274 K275 D279 Y280 D281	N273-K277 WeakPolarHBondContact O-CB 3.36Å; N273-K277 PolarHBondContact O-N 3.45Å; N274-K277 PolarHBondContact O-N 3.21Å; K275-K277 VanDerWaalsContact C-N 3.27Å; K275-K277 PolarHBondContact O-N 2.94Å; K277-D279 VanDerWaalsContact C-N 3.34Å; K277-D279 PolarHBondContact O-N 3.37Å; K277-Y280 WeakPolarHBondContact O-CB 3.48Å; K277-Y280 PolarHBondContact O-N 3.1Å; K277-D281 VanDerWaalsContact O-CG 3.31Å; K277-D281 PolarHBondContact O-N 2.94Å
278	N	96.4	Very high	95.2	Very high	97 Å²	97	99.6 Å²	99.6	52%	0.519	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-39.7	177.3	-69.1	-18.9	0	0	0	112.1	N274 K275 Y280 D281 M282	N274-N278 WeakPolarHBondContact O-CB 3.37Å; N274-N278 PolarHBondContact O-N 2.88Å; N274-N278 PolarHBondContact O-ND2 3.35Å; K275-N278 PolarHBondContact O-N 3.44Å; N278-Y280 VanDerWaalsContact C-N 3.35Å; N278-D281 PolarHBondContact O-N 2.99Å; N278-M282 WeakPolarHBondContact O-CB 3.4Å; N278-M282 PolarHBondContact O-N 3.39Å
279	D	96.3	Very high	95.3	Very high	97 Å²	97	103.3 Å²	103.3	52%	0.519	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-42.2	175.6	-71.3	-13.3	0	0	0	110.8	K275 V276 K277 M282 K283	K275-D279 PolarHBondContact O-N 3.21Å; V276-D279 PolarHBondContact O-N 2.92Å; K277-D279 VanDerWaalsContact C-N 3.34Å; K277-D279 PolarHBondContact O-N 3.37Å; D279-M282 WeakPolarHBondContact O-CB 3.48Å; D279-M282 PolarHBondContact O-N 3.46Å; D279-K283 WeakPolarHBondContact O-CG 3.35Å; D279-K283 PolarHBondContact O-N 2.91Å
280	Y	94.4	Very high	95.4	Very high	154 Å²	154	103.2 Å²	103.2	60%	0.604	50%	0.5	S	S	*	.	H	α-helix	trans	-61.8	-46.6	175.2	-175.6	-102.2	0	0	0	111.8	V276 K277 N278 M282 K283 I284	V276-Y280 WeakPolarHBondContact O-CB 3.27Å; V276-Y280 PolarHBondContact O-N 3.05Å; K277-Y280 WeakPolarHBondContact O-CB 3.48Å; K277-Y280 PolarHBondContact O-N 3.1Å; N278-Y280 VanDerWaalsContact C-N 3.35Å; Y280-M282 VanDerWaalsContact C-N 3.29Å; Y280-M282 PolarHBondContact O-N 3.33Å; Y280-K283 PolarHBondContact O-N 3.06Å; Y280-I284 HydrophobicContact CD1-CD1 3.62Å; Y280-I284 HydrophobicContact CD1-CG1 4.44Å; Y280-I284 HydrophobicContact CE1-CD1 3.25Å; Y280-I284 HydrophobicContact CE1-CG1 4.16Å; Y280-I284 WeakPolarHBondContact O-CG1 3.38Å; Y280-I284 PolarHBondContact O-N 2.9Å
281	D	96	Very high	95.5	Very high	69 Å²	69	101.1 Å²	101.1	37%	0.369	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-35.9	176.5	-69.7	-17	0	0	0	111.8	K277 N278 I284 K285	K277-D281 VanDerWaalsContact O-CG 3.31Å; K277-D281 PolarHBondContact O-N 2.94Å; N278-D281 PolarHBondContact O-N 2.99Å; D281-I284 PolarHBondContact O-N 2.82Å; D281-K285 WeakPolarHBondContact O-CG 3.38Å; D281-K285 PolarHBondContact O-N 3.34Å
282	M	95.8	Very high	95.5	Very high	104 Å²	104	102.3 Å²	102.3	51%	0.512	50%	0.504	S	S	.	.	H	α-helix	trans	-66.2	-42.6	174.1	-167.1	-177.8	-56	0	0	111.5	N278 D279 Y280 I284 K285 E286	N278-M282 WeakPolarHBondContact O-CB 3.4Å; N278-M282 PolarHBondContact O-N 3.39Å; D279-M282 WeakPolarHBondContact O-CB 3.48Å; D279-M282 PolarHBondContact O-N 3.46Å; Y280-M282 VanDerWaalsContact C-N 3.29Å; Y280-M282 PolarHBondContact O-N 3.33Å; M282-I284 VanDerWaalsContact C-N 3.34Å; M282-I284 PolarHBondContact O-N 3.25Å; M282-K285 PolarHBondContact O-N 3.06Å; M282-E286 PolarHBondContact O-N 3.18Å
283	K	96.1	Very high	95.5	Very high	111 Å²	111	103 Å²	103	48%	0.483	51%	0.506	S	S	.	.	H	α-helix	trans	-68.4	-30	176.2	-68.4	-51.9	178.6	-160	0	113.8	D279 Y280 E286 N287	D279-K283 WeakPolarHBondContact O-CG 3.35Å; D279-K283 PolarHBondContact O-N 2.91Å; Y280-K283 PolarHBondContact O-N 3.06Å; K283-E286 VanDerWaalsContact CD-OE2 3.27Å; K283-E286 WeakPolarHBondContact CD-OE2 3.47Å; K283-E286 IonicContact NZ-OE1 2.73Å; K283-E286 PolarHBondContact NZ-OE1 3.36Å; K283-E286 IonicContact NZ-OE2 2.62Å; K283-E286 PolarHBondContact NZ-OE2 2.9Å; K283-N287 WeakPolarHBondContact O-CB 3.42Å; K283-N287 PolarHBondContact O-N 2.74Å; K283-N287 VanDerWaalsContact O-N 3.13Å; K283-N287 PolarHBondContact O-ND2 2.92Å; K283-N287 VanDerWaalsContact O-ND2 3.08Å
284	I	96	Very high	95.6	Very high	60 Å²	60	101.8 Å²	101.8	31%	0.308	50%	0.499	S	S	.	.	H	α-helix	trans	-62.3	-50.6	169.9	-72.6	168.2	0	0	0	109.9	Y280 D281 M282 E286 N287 E288	Y280-I284 HydrophobicContact CD1-CD1 3.62Å; Y280-I284 HydrophobicContact CD1-CG1 4.44Å; Y280-I284 HydrophobicContact CE1-CD1 3.25Å; Y280-I284 HydrophobicContact CE1-CG1 4.16Å; Y280-I284 WeakPolarHBondContact O-CG1 3.38Å; Y280-I284 PolarHBondContact O-N 2.9Å; D281-I284 PolarHBondContact O-N 2.82Å; M282-I284 VanDerWaalsContact C-N 3.34Å; M282-I284 PolarHBondContact O-N 3.25Å; I284-E286 PolarHBondContact O-N 3.16Å; I284-N287 WeakPolarHBondContact O-CB 3.1Å; I284-N287 PolarHBondContact O-N 2.83Å; I284-N287 VanDerWaalsContact O-N 3.12Å; I284-E288 HydrophobicContact CG2-CG 4.42Å; I284-E288 WeakPolarHBondContact O-CG 3.42Å; I284-E288 PolarHBondContact O-N 3.08Å
285	K	96	Very high	95.6	Very high	132 Å²	132	103.2 Å²	103.2	57%	0.574	50%	0.504	S	S	*	.	H	α-helix	trans	-60.6	-44.5	179.7	-71	179	-179.1	-179.3	0	113	D281 M282 N287 E288 E289	D281-K285 WeakPolarHBondContact O-CG 3.38Å; D281-K285 PolarHBondContact O-N 3.34Å; M282-K285 PolarHBondContact O-N 3.06Å; K285-N287 VanDerWaalsContact C-N 3.28Å; K285-N287 PolarHBondContact O-N 2.95Å; K285-E288 PolarHBondContact O-N 2.65Å; K285-E289 WeakPolarHBondContact O-CG 3.46Å; K285-E289 PolarHBondContact O-N 3.03Å
286	E	95.6	Very high	95.6	Very high	86 Å²	86	103 Å²	103	40%	0.402	50%	0.504	S	S	.	.	H	α-helix	trans	-58.7	-39.4	175.2	-73.8	177.5	-165.4	0	0	112	M282 K283 I284 L290	M282-E286 PolarHBondContact O-N 3.18Å; K283-E286 VanDerWaalsContact CD-OE2 3.27Å; K283-E286 WeakPolarHBondContact CD-OE2 3.47Å; K283-E286 IonicContact NZ-OE1 2.73Å; K283-E286 PolarHBondContact NZ-OE1 3.36Å; K283-E286 IonicContact NZ-OE2 2.62Å; K283-E286 PolarHBondContact NZ-OE2 2.9Å; I284-E286 PolarHBondContact O-N 3.16Å; E286-L290 WeakPolarHBondContact O-CB 3.01Å; E286-L290 PolarHBondContact O-N 3.12Å
287	N	93.2	Very high	95.6	Very high	106 Å²	106	103.7 Å²	103.7	57%	0.567	50%	0.503	S	S	*	.	H	α-helix	trans	-69.6	-37	176.5	-84.9	-46.7	0	0	0	112.6	K283 I284 K285 L290 N291	K283-N287 WeakPolarHBondContact O-CB 3.42Å; K283-N287 PolarHBondContact O-N 2.74Å; K283-N287 VanDerWaalsContact O-N 3.13Å; K283-N287 PolarHBondContact O-ND2 2.92Å; K283-N287 VanDerWaalsContact O-ND2 3.08Å; I284-N287 WeakPolarHBondContact O-CB 3.1Å; I284-N287 PolarHBondContact O-N 2.83Å; I284-N287 VanDerWaalsContact O-N 3.12Å; K285-N287 VanDerWaalsContact C-N 3.28Å; K285-N287 PolarHBondContact O-N 2.95Å; N287-L290 PolarHBondContact O-N 3.09Å; N287-N291 VanDerWaalsContact O-CB 3.3Å; N287-N291 WeakPolarHBondContact O-CB 3.41Å; N287-N291 PolarHBondContact O-N 3.5Å
288	E	95.8	Very high	95.6	Very high	110 Å²	110	102.5 Å²	102.5	51%	0.514	50%	0.498	S	S	.	.	H	α-helix	trans	-61.8	-48.9	174.3	-71.8	171.8	168.5	0	0	110.7	I284 K285 L290 N291 E292	I284-E288 HydrophobicContact CG2-CG 4.42Å; I284-E288 WeakPolarHBondContact O-CG 3.42Å; I284-E288 PolarHBondContact O-N 3.08Å; K285-E288 PolarHBondContact O-N 2.65Å; E288-L290 VanDerWaalsContact C-N 3.34Å; E288-L290 PolarHBondContact O-N 2.9Å; E288-N291 PolarHBondContact O-N 2.92Å; E288-E292 WeakPolarHBondContact O-CG 3.39Å; E288-E292 PolarHBondContact O-N 3.23Å
289	E	95.5	Very high	95.6	Very high	132 Å²	132	102.4 Å²	102.4	62%	0.617	50%	0.498	S	S	*	.	H	α-helix	trans	-59.5	-43	175.8	-70.3	175.8	-175.6	0	0	112.1	K285 E292 S293	K285-E289 WeakPolarHBondContact O-CG 3.46Å; K285-E289 PolarHBondContact O-N 3.03Å; E289-E292 PolarHBondContact O-N 3.13Å; E289-S293 PolarHBondContact O-N 2.76Å
290	L	95.1	Very high	95.6	Very high	99 Å²	99	102.1 Å²	102.1	52%	0.518	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-41.9	177	-174.4	63.8	0	0	0	111.2	E286 N287 E288 S293 L294	E286-L290 WeakPolarHBondContact O-CB 3.01Å; E286-L290 PolarHBondContact O-N 3.12Å; N287-L290 PolarHBondContact O-N 3.09Å; E288-L290 VanDerWaalsContact C-N 3.34Å; E288-L290 PolarHBondContact O-N 2.9Å; L290-S293 PolarHBondContact O-N 3.47Å; L290-S293 PolarHBondContact O-OG 3.29Å; L290-L294 WeakPolarHBondContact O-CG 3.38Å; L290-L294 PolarHBondContact O-N 2.97Å
291	N	95.3	Very high	95.7	Very high	93 Å²	93	99.9 Å²	99.9	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-40.3	177.9	-170.8	59.8	0	0	0	112	N287 E288 S293 L294 E295	N287-N291 VanDerWaalsContact O-CB 3.3Å; N287-N291 WeakPolarHBondContact O-CB 3.41Å; N287-N291 PolarHBondContact O-N 3.5Å; E288-N291 PolarHBondContact O-N 2.92Å; N291-S293 VanDerWaalsContact C-N 3.34Å; N291-S293 PolarHBondContact O-N 3.05Å; N291-L294 PolarHBondContact O-N 2.79Å; N291-E295 PolarHBondContact O-N 2.94Å
292	E	95.9	Very high	95.7	Very high	139 Å²	139	100.1 Å²	100.1	65%	0.65	49%	0.493	S	S	*	.	H	α-helix	trans	-60.4	-43	172.3	-72.6	-178.2	178	0	0	111.8	E288 E289 L294 E295 F296	E288-E292 WeakPolarHBondContact O-CG 3.39Å; E288-E292 PolarHBondContact O-N 3.23Å; E289-E292 PolarHBondContact O-N 3.13Å; E292-L294 VanDerWaalsContact C-N 3.33Å; E292-L294 PolarHBondContact O-N 3.45Å; E292-E295 PolarHBondContact O-N 2.94Å; E292-F296 WeakPolarHBondContact O-CB 3.37Å; E292-F296 PolarHBondContact O-N 3.08Å
293	S	95.4	Very high	95.7	Very high	60 Å²	60	99.4 Å²	99.4	42%	0.42	49%	0.488	S	S	.	.	H	α-helix	trans	-64.1	-37.2	176.7	81.4	0	0	0	0	112.6	E289 L290 N291 F296 L297	E289-S293 PolarHBondContact O-N 2.76Å; L290-S293 PolarHBondContact O-N 3.47Å; L290-S293 PolarHBondContact O-OG 3.29Å; N291-S293 VanDerWaalsContact C-N 3.34Å; N291-S293 PolarHBondContact O-N 3.05Å; S293-F296 PolarHBondContact O-N 3.4Å; S293-L297 WeakPolarHBondContact O-CB 3.43Å; S293-L297 PolarHBondContact O-N 3.42Å
294	L	95.4	Very high	95.7	Very high	84 Å²	84	98.3 Å²	98.3	44%	0.44	49%	0.49	S	S	.	.	H	α-helix	trans	-67.5	-44.3	176	-77.2	174.4	0	0	0	111.5	L290 N291 E292 F296 L297 K298	L290-L294 WeakPolarHBondContact O-CG 3.38Å; L290-L294 PolarHBondContact O-N 2.97Å; N291-L294 PolarHBondContact O-N 2.79Å; E292-L294 VanDerWaalsContact C-N 3.33Å; E292-L294 PolarHBondContact O-N 3.45Å; L294-F296 VanDerWaalsContact C-N 3.33Å; L294-L297 PolarHBondContact O-N 2.81Å; L294-K298 VanDerWaalsContact O-CG 3.31Å; L294-K298 WeakPolarHBondContact O-CG 3.44Å; L294-K298 PolarHBondContact O-N 2.82Å
295	E	95.5	Very high	95.7	Very high	78 Å²	78	98.5 Å²	98.5	36%	0.364	49%	0.491	S	S	.	.	H	α-helix	trans	-63.6	-39.8	175.7	-76.1	-56.4	127.4	0	0	111.8	N291 E292 L297 K298 N299	N291-E295 PolarHBondContact O-N 2.94Å; E292-E295 PolarHBondContact O-N 2.94Å; E295-L297 PolarHBondContact O-N 3.35Å; E295-K298 PolarHBondContact O-N 3.19Å; E295-K298 WeakPolarHBondContact OE1-CD 3.29Å; E295-K298 IonicContact OE1-NZ 3.44Å; E295-K298 PolarHBondContact OE1-NZ 3.49Å; E295-N299 WeakPolarHBondContact O-CB 3.47Å; E295-N299 VanDerWaalsContact O-CG 3.28Å; E295-N299 PolarHBondContact O-N 3.36Å; E295-N299 PolarHBondContact O-ND2 3.45Å
296	F	96.4	Very high	95.7	Very high	132 Å²	132	97.8 Å²	97.8	58%	0.579	49%	0.488	S	S	*	.	H	α-helix	trans	-59.7	-46.2	173.1	178.8	-113.2	0	0	0	112.1	E292 S293 L294 N299 Q300	E292-F296 WeakPolarHBondContact O-CB 3.37Å; E292-F296 PolarHBondContact O-N 3.08Å; S293-F296 PolarHBondContact O-N 3.4Å; L294-F296 VanDerWaalsContact C-N 3.33Å; F296-N299 PolarHBondContact O-N 2.84Å; F296-Q300 PolarHBondContact O-N 2.84Å
297	L	95.8	Very high	95.7	Very high	108 Å²	108	98.9 Å²	98.9	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-67	-38.4	179.1	-164.2	68.9	0	0	0	112.3	S293 L294 E295 N299 Q300 L301	S293-L297 WeakPolarHBondContact O-CB 3.43Å; S293-L297 PolarHBondContact O-N 3.42Å; L294-L297 PolarHBondContact O-N 2.81Å; E295-L297 PolarHBondContact O-N 3.35Å; L297-N299 VanDerWaalsContact C-N 3.33Å; L297-N299 PolarHBondContact O-N 2.8Å; L297-Q300 PolarHBondContact O-N 2.76Å; L297-L301 PolarHBondContact O-N 2.89Å
298	K	96.4	Very high	95.8	Very high	101 Å²	101	100 Å²	100	44%	0.439	49%	0.489	S	S	.	.	H	α-helix	trans	-60.8	-42.3	172.4	-74.1	174.3	-168.4	169.8	0	111.6	L294 E295 L301 N302	L294-K298 VanDerWaalsContact O-CG 3.31Å; L294-K298 WeakPolarHBondContact O-CG 3.44Å; L294-K298 PolarHBondContact O-N 2.82Å; E295-K298 PolarHBondContact O-N 3.19Å; E295-K298 WeakPolarHBondContact OE1-CD 3.29Å; E295-K298 IonicContact OE1-NZ 3.44Å; E295-K298 PolarHBondContact OE1-NZ 3.49Å; K298-L301 PolarHBondContact O-N 2.91Å; K298-N302 WeakPolarHBondContact O-CB 3.35Å; K298-N302 VanDerWaalsContact O-CG 3.28Å; K298-N302 PolarHBondContact O-N 2.93Å; K298-N302 PolarHBondContact O-ND2 3.3Å
299	N	95.9	Very high	95.7	Very high	96 Å²	96	98 Å²	98	51%	0.513	48%	0.482	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176.9	-74.5	-31.1	0	0	0	111.9	E295 F296 L297 N302 E303	E295-N299 WeakPolarHBondContact O-CB 3.47Å; E295-N299 VanDerWaalsContact O-CG 3.28Å; E295-N299 PolarHBondContact O-N 3.36Å; E295-N299 PolarHBondContact O-ND2 3.45Å; F296-N299 PolarHBondContact O-N 2.84Å; L297-N299 VanDerWaalsContact C-N 3.33Å; L297-N299 PolarHBondContact O-N 2.8Å; N299-N302 PolarHBondContact O-N 3.22Å; N299-E303 PolarHBondContact O-N 3Å
300	Q	96.9	Very high	95.7	Very high	91 Å²	91	97.6 Å²	97.6	43%	0.425	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-44.3	172.7	-70.4	-170.7	23	0	0	112.4	F296 L297 N302 E303 V304	F296-Q300 PolarHBondContact O-N 2.84Å; L297-Q300 PolarHBondContact O-N 2.76Å; Q300-N302 VanDerWaalsContact C-N 3.32Å; Q300-N302 PolarHBondContact O-N 2.66Å; Q300-E303 PolarHBondContact O-N 3.42Å; Q300-V304 WeakPolarHBondContact O-CG2 3.42Å; Q300-V304 PolarHBondContact O-N 3.02Å
301	L	96.1	Very high	95.6	Very high	106 Å²	106	95.7 Å²	95.7	56%	0.555	48%	0.475	S	S	*	.	H	α-helix	trans	-59.7	-44.8	177.6	-179.6	65.4	0	0	0	111.2	L297 K298 E303 V304 M305	L297-L301 PolarHBondContact O-N 2.89Å; K298-L301 PolarHBondContact O-N 2.91Å; L301-E303 VanDerWaalsContact C-N 3.3Å; L301-E303 PolarHBondContact O-N 3.44Å; L301-V304 PolarHBondContact O-N 3.2Å; L301-M305 WeakPolarHBondContact O-CG 3.3Å; L301-M305 PolarHBondContact O-N 2.82Å
302	N	95.8	Very high	95.5	Very high	75 Å²	75	96 Å²	96	40%	0.401	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-39.4	176.5	-73.4	-26.5	0	0	0	112	K298 N299 Q300 M305 K306	K298-N302 WeakPolarHBondContact O-CB 3.35Å; K298-N302 VanDerWaalsContact O-CG 3.28Å; K298-N302 PolarHBondContact O-N 2.93Å; K298-N302 PolarHBondContact O-ND2 3.3Å; N299-N302 PolarHBondContact O-N 3.22Å; Q300-N302 VanDerWaalsContact C-N 3.32Å; Q300-N302 PolarHBondContact O-N 2.66Å; N302-M305 PolarHBondContact O-N 2.9Å; N302-M305 WeakPolarHBondContact OD1-CE 3.46Å; N302-K306 WeakPolarHBondContact O-CG 3.39Å; N302-K306 PolarHBondContact O-N 3.41Å
303	E	96.3	Very high	95.3	Very high	89 Å²	89	92.7 Å²	92.7	42%	0.416	46%	0.462	S	S	.	.	H	α-helix	trans	-68.2	-44.1	177.1	-170.6	56.1	-152.7	0	0	112.2	N299 Q300 L301 M305 K306 Q307	N299-E303 PolarHBondContact O-N 3Å; Q300-E303 PolarHBondContact O-N 3.42Å; L301-E303 VanDerWaalsContact C-N 3.3Å; L301-E303 PolarHBondContact O-N 3.44Å; E303-M305 VanDerWaalsContact C-N 3.3Å; E303-M305 PolarHBondContact O-N 3.28Å; E303-K306 WeakPolarHBondContact O-CB 3.32Å; E303-K306 PolarHBondContact O-N 3.44Å; E303-K306 VanDerWaalsContact O-N 3.16Å; E303-K306 IonicContact OE2-NZ 2.76Å; E303-Q307 WeakPolarHBondContact O-CG 3.48Å; E303-Q307 PolarHBondContact O-N 3.41Å
304	V	95.8	Very high	95.1	Very high	87 Å²	87	93.1 Å²	93.1	53%	0.527	46%	0.463	S	S	.	.	H	α-helix	trans	-62.2	-38.7	175.2	172.6	0	0	0	0	111.3	Q300 L301 Q307 R308	Q300-V304 WeakPolarHBondContact O-CG2 3.42Å; Q300-V304 PolarHBondContact O-N 3.02Å; L301-V304 PolarHBondContact O-N 3.2Å; V304-Q307 PolarHBondContact O-N 3.2Å; V304-R308 PolarHBondContact O-N 2.97Å
305	M	95.3	Very high	94.6	Very high	65 Å²	65	92.6 Å²	92.6	32%	0.32	46%	0.463	S	S	.	.	H	α-helix	trans	-62.3	-43.7	173.8	-74.1	-166	-58.5	0	0	111.9	L301 N302 E303 Q307 R308 D309	L301-M305 WeakPolarHBondContact O-CG 3.3Å; L301-M305 PolarHBondContact O-N 2.82Å; N302-M305 PolarHBondContact O-N 2.9Å; N302-M305 WeakPolarHBondContact OD1-CE 3.46Å; E303-M305 VanDerWaalsContact C-N 3.3Å; E303-M305 PolarHBondContact O-N 3.28Å; M305-Q307 VanDerWaalsContact C-N 3.34Å; M305-Q307 PolarHBondContact O-N 3.17Å; M305-R308 WeakPolarHBondContact O-CB 3.4Å; M305-R308 PolarHBondContact O-N 2.88Å; M305-D309 PolarHBondContact O-N 2.68Å
306	K	95.8	Very high	94.1	Very high	117 Å²	117	92.2 Å²	92.2	51%	0.509	46%	0.461	S	S	.	.	H	α-helix	trans	-60.8	-43.2	174.9	-72.4	174.1	-173.5	172.3	0	111.8	N302 E303 D309 Q310	N302-K306 WeakPolarHBondContact O-CG 3.39Å; N302-K306 PolarHBondContact O-N 3.41Å; E303-K306 WeakPolarHBondContact O-CB 3.32Å; E303-K306 PolarHBondContact O-N 3.44Å; E303-K306 VanDerWaalsContact O-N 3.16Å; E303-K306 IonicContact OE2-NZ 2.76Å; K306-D309 PolarHBondContact O-N 3.27Å; K306-Q310 WeakPolarHBondContact O-CB 3.38Å; K306-Q310 VanDerWaalsContact O-CG 3.24Å; K306-Q310 WeakPolarHBondContact O-CG 3.2Å; K306-Q310 PolarHBondContact O-N 2.89Å
307	Q	96.6	Very high	93.4	Very high	108 Å²	108	91.1 Å²	91.1	51%	0.505	46%	0.458	S	S	.	.	H	α-helix	trans	-62.3	-42.5	177	-71	179.9	3.7	0	0	111.9	E303 V304 M305 Q310 S311	E303-Q307 WeakPolarHBondContact O-CG 3.48Å; E303-Q307 PolarHBondContact O-N 3.41Å; V304-Q307 PolarHBondContact O-N 3.2Å; M305-Q307 VanDerWaalsContact C-N 3.34Å; M305-Q307 PolarHBondContact O-N 3.17Å; Q307-Q310 PolarHBondContact O-N 3.36Å; Q307-S311 WeakPolarHBondContact O-CB 3.36Å; Q307-S311 PolarHBondContact O-N 2.87Å; Q307-S311 PolarHBondContact O-OG 3.38Å
308	R	94.5	Very high	92.6	Very high	130 Å²	130	90.9 Å²	90.9	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-57.3	-51.6	172.9	179.1	-158.4	65.4	-155.3	-5.3	110.5	V304 M305 Q310 S311 E312	V304-R308 PolarHBondContact O-N 2.97Å; M305-R308 WeakPolarHBondContact O-CB 3.4Å; M305-R308 PolarHBondContact O-N 2.88Å; R308-Q310 VanDerWaalsContact C-N 3.31Å; R308-Q310 PolarHBondContact O-N 3.46Å; R308-S311 PolarHBondContact O-N 3.01Å; R308-S311 VanDerWaalsContact O-N 3.1Å; R308-S311 PolarHBondContact O-OG 3.25Å; R308-E312 PolarHBondContact O-N 3.01Å
309	D	94.7	Very high	91.8	Very high	69 Å²	69	92.8 Å²	92.8	37%	0.369	47%	0.467	S	S	.	.	H	α-helix	trans	-65.5	-36.8	-175.8	-62.6	-12.7	0	0	0	111.7	M305 K306 E312 T313	M305-D309 PolarHBondContact O-N 2.68Å; K306-D309 PolarHBondContact O-N 3.27Å; D309-E312 PolarHBondContact O-N 3.15Å; D309-T313 WeakPolarHBondContact O-CB 3.34Å; D309-T313 PolarHBondContact O-N 3.33Å; D309-T313 PolarHBondContact O-OG1 3.03Å
310	Q	95.4	Very high	90.8	Very high	122 Å²	122	97.7 Å²	97.7	57%	0.57	48%	0.478	S	S	*	.	H	α-helix	trans	-62	-47.2	170.8	-73.9	173.2	5.4	0	0	111.3	K306 Q307 R308 E312 T313 T314	K306-Q310 WeakPolarHBondContact O-CB 3.38Å; K306-Q310 VanDerWaalsContact O-CG 3.24Å; K306-Q310 WeakPolarHBondContact O-CG 3.2Å; K306-Q310 PolarHBondContact O-N 2.89Å; Q307-Q310 PolarHBondContact O-N 3.36Å; R308-Q310 VanDerWaalsContact C-N 3.31Å; R308-Q310 PolarHBondContact O-N 3.46Å; Q310-E312 VanDerWaalsContact C-N 3.31Å; Q310-E312 PolarHBondContact O-N 3.5Å; Q310-T313 WeakPolarHBondContact O-CB 3.37Å; Q310-T313 PolarHBondContact O-N 3.16Å; Q310-T314 WeakPolarHBondContact O-CG2 3.17Å; Q310-T314 PolarHBondContact O-N 3.45Å; Q310-T314 PolarHBondContact O-OG1 3.45Å
311	S	91.9	Very high	89.5	Confident	59 Å²	59	98.7 Å²	98.7	41%	0.413	49%	0.49	S	S	.	.	H	α-helix	trans	-64.2	-35.3	178.1	73.2	0	0	0	0	112.7	Q307 R308 T314 V315	Q307-S311 WeakPolarHBondContact O-CB 3.36Å; Q307-S311 PolarHBondContact O-N 2.87Å; Q307-S311 PolarHBondContact O-OG 3.38Å; R308-S311 PolarHBondContact O-N 3.01Å; R308-S311 VanDerWaalsContact O-N 3.1Å; R308-S311 PolarHBondContact O-OG 3.25Å; S311-T314 WeakPolarHBondContact CA-OG1 3.34Å; S311-T314 PolarHBondContact O-N 2.85Å; S311-T314 PolarHBondContact O-OG1 3.26Å; S311-V315 WeakPolarHBondContact O-CB 3.26Å; S311-V315 WeakPolarHBondContact O-CG2 3.29Å; S311-V315 PolarHBondContact O-N 3.31Å
312	E	94.8	Very high	87.5	Confident	101 Å²	101	97 Å²	97	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-67.4	-43	174.2	-174	176.9	173.9	0	0	110.4	R308 D309 Q310 T314 V315 Q316	R308-E312 PolarHBondContact O-N 3.01Å; D309-E312 PolarHBondContact O-N 3.15Å; Q310-E312 VanDerWaalsContact C-N 3.31Å; Q310-E312 PolarHBondContact O-N 3.5Å; E312-T314 PolarHBondContact O-N 3.48Å; E312-V315 PolarHBondContact O-N 2.95Å; E312-Q316 WeakPolarHBondContact O-CB 3.38Å; E312-Q316 VanDerWaalsContact O-CG 3.3Å; E312-Q316 WeakPolarHBondContact O-CG 3.35Å; E312-Q316 PolarHBondContact O-N 3.49Å; E312-Q316 PolarHBondContact OE1-NE2 2.92Å
313	T	91.1	Very high	85.8	Confident	68 Å²	68	99.4 Å²	99.4	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-61.8	-43.1	176.3	-55.4	0	0	0	0	111.3	D309 Q310 Q316 Q317	D309-T313 WeakPolarHBondContact O-CB 3.34Å; D309-T313 PolarHBondContact O-N 3.33Å; D309-T313 PolarHBondContact O-OG1 3.03Å; Q310-T313 WeakPolarHBondContact O-CB 3.37Å; Q310-T313 PolarHBondContact O-N 3.16Å; T313-Q316 PolarHBondContact O-N 3.39Å; T313-Q317 WeakPolarHBondContact O-CB 3.44Å; T313-Q317 VanDerWaalsContact O-CG 3.26Å; T313-Q317 WeakPolarHBondContact O-CG 3.48Å; T313-Q317 PolarHBondContact O-N 3.42Å
314	T	89.9	Confident	84.3	Confident	70 Å²	70	100.8 Å²	100.8	43%	0.429	52%	0.521	S	S	.	.	H	α-helix	trans	-66.2	-40	176.3	58.9	0	0	0	0	111.4	Q310 S311 E312 Q317 L318	Q310-T314 WeakPolarHBondContact O-CG2 3.17Å; Q310-T314 PolarHBondContact O-N 3.45Å; Q310-T314 PolarHBondContact O-OG1 3.45Å; S311-T314 WeakPolarHBondContact CA-OG1 3.34Å; S311-T314 PolarHBondContact O-N 2.85Å; S311-T314 PolarHBondContact O-OG1 3.26Å; E312-T314 PolarHBondContact O-N 3.48Å; T314-Q317 PolarHBondContact O-N 3.42Å; T314-L318 VanDerWaalsContact O-CB 3.3Å; T314-L318 WeakPolarHBondContact O-CB 3.31Å; T314-L318 WeakPolarHBondContact O-CG 3.5Å; T314-L318 PolarHBondContact O-N 2.55Å
315	V	86.3	Confident	83.2	Confident	72 Å²	72	104.5 Å²	104.5	44%	0.436	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-43.7	174.1	168.4	0	0	0	0	111.4	S311 E312 L318 Q319	S311-V315 WeakPolarHBondContact O-CB 3.26Å; S311-V315 WeakPolarHBondContact O-CG2 3.29Å; S311-V315 PolarHBondContact O-N 3.31Å; E312-V315 PolarHBondContact O-N 2.95Å; V315-L318 PolarHBondContact O-N 2.82Å; V315-Q319 HydrophobicContact CG1-CG 4.48Å; V315-Q319 WeakPolarHBondContact O-CB 3.42Å; V315-Q319 VanDerWaalsContact O-CG 3.31Å; V315-Q319 WeakPolarHBondContact O-CG 3.1Å; V315-Q319 PolarHBondContact O-N 2.97Å
316	Q	85	Confident	82.2	Confident	71 Å²	71	104.1 Å²	104.1	33%	0.332	53%	0.528	S	S	.	.	H	α-helix	trans	-65.4	-41.2	176.9	-71.8	178.8	16	0	0	111.9	E312 T313 Q319 R320	E312-Q316 WeakPolarHBondContact O-CB 3.38Å; E312-Q316 VanDerWaalsContact O-CG 3.3Å; E312-Q316 WeakPolarHBondContact O-CG 3.35Å; E312-Q316 PolarHBondContact O-N 3.49Å; E312-Q316 PolarHBondContact OE1-NE2 2.92Å; T313-Q316 PolarHBondContact O-N 3.39Å; Q316-Q319 PolarHBondContact O-N 2.99Å; Q316-R320 WeakPolarHBondContact O-CG 3.1Å; Q316-R320 PolarHBondContact O-N 3.28Å
317	Q	81.2	Confident	81.6	Confident	108 Å²	108	104.9 Å²	104.9	51%	0.505	53%	0.534	S	S	.	.	H	α-helix	trans	-62	-48.7	174.2	-75.7	174.6	-4	0	0	110.7	T313 T314 Q319 R320 V321	T313-Q317 WeakPolarHBondContact O-CB 3.44Å; T313-Q317 VanDerWaalsContact O-CG 3.26Å; T313-Q317 WeakPolarHBondContact O-CG 3.48Å; T313-Q317 PolarHBondContact O-N 3.42Å; T314-Q317 PolarHBondContact O-N 3.42Å; Q317-Q319 VanDerWaalsContact C-N 3.31Å; Q317-Q319 PolarHBondContact O-N 3.33Å; Q317-R320 PolarHBondContact O-N 2.95Å; Q317-R320 VanDerWaalsContact O-N 3.13Å; Q317-V321 WeakPolarHBondContact O-CG2 3.16Å; Q317-V321 PolarHBondContact O-N 2.81Å
318	L	79.6	Confident	81	Confident	104 Å²	104	100.9 Å²	100.9	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-57.5	-43.5	175.1	-74.1	172.3	0	0	0	110.9	T314 V315 R320 V321 S322	T314-L318 VanDerWaalsContact O-CB 3.3Å; T314-L318 WeakPolarHBondContact O-CB 3.31Å; T314-L318 WeakPolarHBondContact O-CG 3.5Å; T314-L318 PolarHBondContact O-N 2.55Å; V315-L318 PolarHBondContact O-N 2.82Å; L318-R320 VanDerWaalsContact C-N 3.34Å; L318-R320 PolarHBondContact O-N 3.15Å; L318-V321 PolarHBondContact O-N 2.92Å; L318-S322 WeakPolarHBondContact O-CA 3.42Å; L318-S322 WeakPolarHBondContact O-CB 3.34Å; L318-S322 PolarHBondContact O-N 3.22Å; L318-S322 PolarHBondContact O-OG 3.2Å
319	Q	78.5	Confident	80.4	Confident	140 Å²	140	97 Å²	97	65%	0.654	51%	0.507	S	S	*	.	H	α-helix	trans	-63.1	-36.7	176.3	-78.2	176.9	-11.5	0	0	113.1	V315 Q316 Q317	V315-Q319 HydrophobicContact CG1-CG 4.48Å; V315-Q319 WeakPolarHBondContact O-CB 3.42Å; V315-Q319 VanDerWaalsContact O-CG 3.31Å; V315-Q319 WeakPolarHBondContact O-CG 3.1Å; V315-Q319 PolarHBondContact O-N 2.97Å; Q316-Q319 PolarHBondContact O-N 2.99Å; Q317-Q319 VanDerWaalsContact C-N 3.31Å; Q317-Q319 PolarHBondContact O-N 3.33Å
320	R	74.9	Confident	79.8	Confident	200 Å²	200	99.4 Å²	99.4	76%	0.755	52%	0.516	S	S	*	.	H	α-helix	trans	-71.4	-39.3	177.8	-73.8	176.4	-178.5	159.6	4.4	113	Q316 Q317 L318	Q316-R320 WeakPolarHBondContact O-CG 3.1Å; Q316-R320 PolarHBondContact O-N 3.28Å; Q317-R320 PolarHBondContact O-N 2.95Å; Q317-R320 VanDerWaalsContact O-N 3.13Å; L318-R320 VanDerWaalsContact C-N 3.34Å; L318-R320 PolarHBondContact O-N 3.15Å
321	V	70.2	Confident	79.1	Confident	112 Å²	112	95.2 Å²	95.2	68%	0.679	50%	0.499	S	S	*	.	H	α-helix	trans	-90.3	-15.1	-179.2	-54.9	0	0	0	0	113	Q317 L318 T323	Q317-V321 WeakPolarHBondContact O-CG2 3.16Å; Q317-V321 PolarHBondContact O-N 2.81Å; L318-V321 PolarHBondContact O-N 2.92Å; V321-T323 PolarHBondContact O-N 3.01Å
322	S	54.7	Low	78.5	Confident	69 Å²	69	92.4 Å²	92.4	48%	0.483	48%	0.479	S	S	.	.			trans	-67.4	107.2	177.3	-73.6	0	0	0	0	108.9	L318	L318-S322 WeakPolarHBondContact O-CA 3.42Å; L318-S322 WeakPolarHBondContact O-CB 3.34Å; L318-S322 PolarHBondContact O-N 3.22Å; L318-S322 PolarHBondContact O-OG 3.2Å
323	T	60.3	Low	77.8	Confident	127 Å²	127	94.1 Å²	94.1	78%	0.779	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-55.8	121.8	152.5	36.7	0	0	0	0	107.6	V321 R325	V321-T323 PolarHBondContact O-N 3.01Å; T323-R325 PolarHBondContact O-N 3.3Å
324	P	64.2	Low	77.1	Confident	117 Å²	117	99.8 Å²	99.8	76%	0.76	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-52.4	131.5	176.7	19.9	-30	0	0	0	108.4
325	R	71.8	Confident	76.2	Confident	165 Å²	165	98.1 Å²	98.1	62%	0.623	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-55.5	127.7	-178.8	-169.8	174.2	-177	-176.5	-7	107.7	T323 E327 S351	T323-R325 PolarHBondContact O-N 3.3Å; R325-E327 PolarHBondContact O-N 2.93Å; R325-S351 VanDerWaalsContact NE-CB 3.31Å; R325-S351 PolarHBondContact NE-OG 3.4Å; R325-S351 VanDerWaalsContact NH2-CB 3.29Å
326	P	75.4	Confident	75.1	Confident	57 Å²	57	99.3 Å²	99.3	37%	0.37	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-55.1	137.8	-180	-25.9	33.3	0	0	0	110.6	W328 V331	P326-W328 VanDerWaalsContact C-N 3.26Å; P326-W328 HydrophobicContact CB-CD2 4.48Å; P326-W328 HydrophobicContact CB-CZ2 4.42Å; P326-W328 HydrophobicContact CG-CH2 4.44Å; P326-W328 HydrophobicContact CG-CZ2 4.27Å; P326-W328 PolarHBondContact O-N 3.23Å; P326-V331 HydrophobicContact CB-CG2 4.46Å
327	E	82.6	Confident	74.3	Confident	133 Å²	133	97.8 Å²	97.8	62%	0.621	50%	0.501	S	S	*	.			trans	-67.4	89.2	169.8	-76.3	-61.1	147.6	0	0	108.6	R325 S329 E330 V331	R325-E327 PolarHBondContact O-N 2.93Å; E327-S329 PolarHBondContact O-N 2.81Å; E327-E330 HydrophobicContact CB-CB 4.25Å; E327-E330 HydrophobicContact CB-CG 4.22Å; E327-E330 WeakPolarHBondContact O-CB 3.35Å; E327-E330 PolarHBondContact O-N 3.17Å; E327-V331 PolarHBondContact O-N 3.45Å
328	W	84.5	Confident	74.1	Confident	24 Å²	24	94 Å²	94	9%	0.091	49%	0.49	C	S	.	.	H	α-helix	trans	-57.4	-25.3	-173.5	-70.7	117.2	0	0	0	113.3	P326 V331 G332 W342 S351 K354 M355 L358	P326-W328 VanDerWaalsContact C-N 3.26Å; P326-W328 HydrophobicContact CB-CD2 4.48Å; P326-W328 HydrophobicContact CB-CZ2 4.42Å; P326-W328 HydrophobicContact CG-CH2 4.44Å; P326-W328 HydrophobicContact CG-CZ2 4.27Å; P326-W328 PolarHBondContact O-N 3.23Å; W328-V331 HydrophobicContact CE3-CB 4.24Å; W328-V331 HydrophobicContact CE3-CG1 4.42Å; W328-V331 HydrophobicContact CE3-CG2 4.16Å; W328-V331 HydrophobicContact CZ3-CG1 4.43Å; W328-V331 HydrophobicContact CZ3-CG2 4.45Å; W328-G332 PolarHBondContact O-N 3.18Å; W328-G332 VanDerWaalsContact O-N 3.11Å; W328-W342 HydrophobicContact CD2-CZ2 4.33Å; W328-W342 HydrophobicContact CE3-CH2 4.15Å; W328-W342 AromaticContact CE3-CZ2 3.49Å; W328-W342 HydrophobicContact CE3-CZ2 3.49Å; W328-W342 VanDerWaalsContact CE3-CZ2 3.49Å; W328-W342 HydrophobicContact CZ3-CH2 4.13Å; W328-W342 AromaticContact CZ3-CZ2 3.93Å; W328-W342 HydrophobicContact CZ3-CZ2 3.93Å; W328-W342 PolarHBondContact O-NE1 2.96Å; W328-S351 WeakPolarHBondContact CZ2-O 3.28Å; W328-S351 PolarHBondContact NE1-OG 2.85Å; W328-K354 HydrophobicContact CB-CD 4.39Å; W328-K354 HydrophobicContact CD2-CB 4.05Å; W328-K354 HydrophobicContact CD2-CD 3.96Å; W328-K354 HydrophobicContact CE3-CB 4.08Å; W328-K354 HydrophobicContact CG-CD 3.88Å; W328-K354 HydrophobicContact CH2-CB 3.81Å; W328-K354 HydrophobicContact CZ2-CB 3.83Å; W328-K354 HydrophobicContact CZ3-CB 3.95Å; W328-M355 HydrophobicContact CH2-CB 4.12Å; W328-M355 HydrophobicContact CH2-CG 3.51Å; W328-M355 HydrophobicContact CH2-SD 3.58Å; W328-M355 VanDerWaalsContact CH2-SD 3.58Å; W328-M355 HydrophobicContact CZ2-CG 3.89Å; W328-M355 HydrophobicContact CZ2-SD 4.37Å; W328-M355 HydrophobicContact CZ3-SD 4.4Å; W328-L358 HydrophobicContact CZ3-CD2 4.46Å
329	S	82.2	Confident	74.1	Confident	50 Å²	50	91.3 Å²	91.3	35%	0.35	48%	0.476	S	S	.	.	H	α-helix	trans	-70.1	-30.6	173.6	-57.8	0	0	0	0	113.2	E327 R333 L339	E327-S329 PolarHBondContact O-N 2.81Å; S329-R333 WeakPolarHBondContact O-CG 3.47Å; S329-R333 PolarHBondContact O-N 2.96Å; S329-R333 PolarHBondContact O-NH1 3.15Å; S329-L339 WeakPolarHBondContact O-CD1 3.38Å
330	E	82.4	Confident	74.2	Confident	118 Å²	118	89.4 Å²	89.4	55%	0.551	48%	0.475	S	S	*	.	H	α-helix	trans	-75	-42.4	173.8	-75.7	-171.5	168.3	0	0	111.9	E327 G332 R333 K334	E327-E330 HydrophobicContact CB-CB 4.25Å; E327-E330 HydrophobicContact CB-CG 4.22Å; E327-E330 WeakPolarHBondContact O-CB 3.35Å; E327-E330 PolarHBondContact O-N 3.17Å; E330-G332 VanDerWaalsContact C-N 3.32Å; E330-G332 PolarHBondContact O-N 2.6Å; E330-R333 WeakPolarHBondContact O-CB 3.32Å; E330-R333 PolarHBondContact O-N 2.85Å; E330-R333 VanDerWaalsContact O-N 3.12Å; E330-K334 PolarHBondContact O-N 3.41Å
331	V	80.4	Confident	74.5	Confident	35 Å²	35	85.5 Å²	85.5	21%	0.212	46%	0.46	C	S	.	.	H	α-helix	trans	-56.9	-48.7	176.2	179.4	0	0	0	0	110.3	P326 E327 W328 R333 K334 L335 W342 L358	P326-V331 HydrophobicContact CB-CG2 4.46Å; E327-V331 PolarHBondContact O-N 3.45Å; W328-V331 HydrophobicContact CE3-CB 4.24Å; W328-V331 HydrophobicContact CE3-CG1 4.42Å; W328-V331 HydrophobicContact CE3-CG2 4.16Å; W328-V331 HydrophobicContact CZ3-CG1 4.43Å; W328-V331 HydrophobicContact CZ3-CG2 4.45Å; V331-R333 VanDerWaalsContact C-N 3.28Å; V331-R333 PolarHBondContact O-N 2.92Å; V331-K334 PolarHBondContact O-N 3.29Å; V331-L335 HydrophobicContact CG1-CD1 4.42Å; V331-L335 PolarHBondContact O-N 3.03Å; V331-W342 HydrophobicContact CG1-CH2 4.4Å; V331-W342 HydrophobicContact CG1-CZ2 4.45Å; V331-L358 HydrophobicContact CG1-CD1 3.78Å; V331-L358 HydrophobicContact CG1-CD2 3.9Å; V331-L358 HydrophobicContact CG1-CG 4.43Å
332	G	78.9	Confident	75.2	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-61	-32.3	177.6	0	0	0	0	0	114.2	W328 E330 K334 G338 L339	W328-G332 PolarHBondContact O-N 3.18Å; W328-G332 VanDerWaalsContact O-N 3.11Å; E330-G332 VanDerWaalsContact C-N 3.32Å; E330-G332 PolarHBondContact O-N 2.6Å; G332-K334 VanDerWaalsContact C-N 3.28Å; G332-K334 PolarHBondContact O-N 2.94Å; G332-G338 CarbonylContact O-C 3.55Å; G332-L339 PolarHBondContact O-N 3.47Å
333	R	79.1	Confident	76.6	Confident	137 Å²	137	81.1 Å²	81.1	52%	0.517	43%	0.427	S	S	.	.	H	α-helix	trans	-67.8	-26.5	175.4	-80.1	-173	-73.6	-94.4	8.6	113.1	S329 E330 V331 L339	S329-R333 WeakPolarHBondContact O-CG 3.47Å; S329-R333 PolarHBondContact O-N 2.96Å; S329-R333 PolarHBondContact O-NH1 3.15Å; E330-R333 WeakPolarHBondContact O-CB 3.32Å; E330-R333 PolarHBondContact O-N 2.85Å; E330-R333 VanDerWaalsContact O-N 3.12Å; V331-R333 VanDerWaalsContact C-N 3.28Å; V331-R333 PolarHBondContact O-N 2.92Å; R333-L339 HydrophobicContact CG-CB 3.92Å; R333-L339 HydrophobicContact CG-CD2 4.16Å; R333-L339 HydrophobicContact CG-CG 4.46Å
334	K	76.9	Confident	77.9	Confident	187 Å²	187	82.3 Å²	82.3	81%	0.813	42%	0.423	S	S	*	.	H	α-helix	trans	-91.1	-16.1	-176	-65.1	-69	-175.3	176.4	0	113.6	E330 V331 G332	E330-K334 PolarHBondContact O-N 3.41Å; V331-K334 PolarHBondContact O-N 3.29Å; G332-K334 VanDerWaalsContact C-N 3.28Å; G332-K334 PolarHBondContact O-N 2.94Å
335	L	72.2	Confident	78.7	Confident	35 Å²	35	80 Å²	80	18%	0.183	40%	0.403	C	S	.	.	S	Bend	trans	-81.5	148.4	-179.6	-73.2	171.5	0	0	0	112.8	V331 G337 G338 W342 L358	V331-L335 HydrophobicContact CG1-CD1 4.42Å; V331-L335 PolarHBondContact O-N 3.03Å; L335-G337 PolarHBondContact O-N 2.83Å; L335-G338 PolarHBondContact O-N 3.45Å; L335-W342 HydrophobicContact CD1-CD2 4.33Å; L335-W342 HydrophobicContact CD1-CE3 3.41Å; L335-W342 VanDerWaalsContact CD1-CE3 3.41Å; L335-W342 HydrophobicContact CD1-CZ3 3.51Å; L335-L358 HydrophobicContact CD1-CD1 3.79Å; L335-L358 HydrophobicContact CD2-CD1 3.87Å; L335-L358 HydrophobicContact CG-CD1 4.22Å
336	P	61.6	Low	79.4	Confident	96 Å²	96	72.2 Å²	72.2	62%	0.623	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	94	175	26.1	-30.6	0	0	0	110.2
337	G	67.9	Low	79.7	Confident	39 Å²	39	73.5 Å²	73.5	40%	0.402	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	151.6	-20.3	-170.6	0	0	0	0	0	112.3	L335 R341	L335-G337 PolarHBondContact O-N 2.83Å; G337-R341 VanDerWaalsContact O-CB 3.3Å; G337-R341 WeakPolarHBondContact O-CB 3.35Å
338	G	78.9	Confident	79.6	Confident	28 Å²	28	72.5 Å²	72.5	29%	0.289	40%	0.396	S	S	.	.	H	α-helix	trans	71.1	174.8	177.5	0	0	0	0	0	113.5	G332 L335 T340 W342	G332-G338 CarbonylContact O-C 3.55Å; L335-G338 PolarHBondContact O-N 3.45Å; G338-T340 VanDerWaalsContact C-N 3.27Å; G338-T340 PolarHBondContact O-N 3.26Å; G338-W342 PolarHBondContact O-N 3.5Å
339	L	77.9	Confident	79.8	Confident	48 Å²	48	73.8 Å²	73.8	25%	0.251	40%	0.404	S	S	.	.	H	α-helix	trans	-62.6	-32.4	-175.1	-178.9	59.1	0	0	0	113	S329 G332 R333 L343	S329-L339 WeakPolarHBondContact O-CD1 3.38Å; G332-L339 PolarHBondContact O-N 3.47Å; R333-L339 HydrophobicContact CG-CB 3.92Å; R333-L339 HydrophobicContact CG-CD2 4.16Å; R333-L339 HydrophobicContact CG-CG 4.46Å; L339-L343 HydrophobicContact CD1-CD1 3.93Å; L339-L343 HydrophobicContact CD1-CG 3.91Å; L339-L343 HydrophobicContact CD2-CD1 4.41Å; L339-L343 HydrophobicContact CG-CD1 3.79Å; L339-L343 HydrophobicContact CG-CG 4.22Å; L339-L343 WeakPolarHBondContact O-CB 3.48Å; L339-L343 VanDerWaalsContact O-CG 3.25Å; L339-L343 WeakPolarHBondContact O-CG 3.12Å; L339-L343 PolarHBondContact O-N 3.39Å
340	T	82.1	Confident	79.9	Confident	101 Å²	101	74 Å²	74	62%	0.62	41%	0.405	S	S	*	.	H	α-helix	trans	-64.7	-53.6	-178.5	43.9	0	0	0	0	111.6	G338 W342 L343 E344	G338-T340 VanDerWaalsContact C-N 3.27Å; G338-T340 PolarHBondContact O-N 3.26Å; T340-W342 VanDerWaalsContact C-N 3.32Å; T340-W342 PolarHBondContact O-N 3.38Å; T340-L343 PolarHBondContact O-N 3.41Å; T340-E344 WeakPolarHBondContact O-CG 3.48Å; T340-E344 PolarHBondContact O-N 3.3Å
341	R	81.3	Confident	79.9	Confident	117 Å²	117	69.8 Å²	69.8	44%	0.442	39%	0.389	S	S	.	.	H	α-helix	trans	-61.5	-41.7	177.6	-174.9	179.2	170	-174.1	-2.5	111.8	G337 L343 E344 E345	G337-R341 VanDerWaalsContact O-CB 3.3Å; G337-R341 WeakPolarHBondContact O-CB 3.35Å; R341-L343 PolarHBondContact O-N 2.95Å; R341-E344 PolarHBondContact O-N 2.86Å; R341-E345 HydrophobicContact CG-CG 4.38Å; R341-E345 IonicContact CZ-OE1 3.18Å; R341-E345 IonicContact NE-OE1 3.99Å; R341-E345 PolarHBondContact NE-OE1 3.02Å; R341-E345 IonicContact NE-OE2 2.65Å; R341-E345 IonicContact NH2-OE1 2.72Å; R341-E345 PolarHBondContact NH2-OE1 2.86Å; R341-E345 VanDerWaalsContact NH2-OE1 3.14Å; R341-E345 WeakPolarHBondContact O-CB 3.3Å; R341-E345 WeakPolarHBondContact O-CG 3.44Å; R341-E345 PolarHBondContact O-N 3.22Å
342	W	84.6	Confident	79.9	Confident	6 Å²	6	74.6 Å²	74.6	2%	0.023	41%	0.409	C	S	.	.	H	α-helix	trans	-60.3	-43.9	175.4	173.9	-98	0	0	0	112.4	W328 V331 L335 G338 T340 T346 K354 F357 L358	W328-W342 HydrophobicContact CD2-CZ2 4.33Å; W328-W342 HydrophobicContact CE3-CH2 4.15Å; W328-W342 AromaticContact CE3-CZ2 3.49Å; W328-W342 HydrophobicContact CE3-CZ2 3.49Å; W328-W342 VanDerWaalsContact CE3-CZ2 3.49Å; W328-W342 HydrophobicContact CZ3-CH2 4.13Å; W328-W342 AromaticContact CZ3-CZ2 3.93Å; W328-W342 HydrophobicContact CZ3-CZ2 3.93Å; W328-W342 PolarHBondContact O-NE1 2.96Å; V331-W342 HydrophobicContact CG1-CH2 4.4Å; V331-W342 HydrophobicContact CG1-CZ2 4.45Å; L335-W342 HydrophobicContact CD1-CD2 4.33Å; L335-W342 HydrophobicContact CD1-CE3 3.41Å; L335-W342 VanDerWaalsContact CD1-CE3 3.41Å; L335-W342 HydrophobicContact CD1-CZ3 3.51Å; G338-W342 PolarHBondContact O-N 3.5Å; T340-W342 VanDerWaalsContact C-N 3.32Å; T340-W342 PolarHBondContact O-N 3.38Å; W342-T346 HydrophobicContact CD2-CG2 3.76Å; W342-T346 HydrophobicContact CE3-CG2 3.88Å; W342-T346 HydrophobicContact CG-CG2 4.41Å; W342-T346 HydrophobicContact CH2-CG2 3.92Å; W342-T346 HydrophobicContact CZ2-CG2 3.78Å; W342-T346 HydrophobicContact CZ3-CG2 3.98Å; W342-T346 WeakPolarHBondContact O-CB 3.19Å; W342-T346 VanDerWaalsContact O-CG2 3.27Å; W342-T346 WeakPolarHBondContact O-CG2 3.3Å; W342-T346 PolarHBondContact O-N 3.26Å; W342-T346 PolarHBondContact O-OG1 3.42Å; W342-K354 HydrophobicContact CH2-CB 4.37Å; W342-K354 HydrophobicContact CZ2-CB 4.17Å; W342-K354 HydrophobicContact CZ2-CD 4.35Å; W342-K354 HydrophobicContact CZ2-CG 4.43Å; W342-F357 HydrophobicContact CE3-CD1 4.26Å; W342-F357 HydrophobicContact CE3-CE1 4.29Å; W342-F357 HydrophobicContact CH2-CD1 4.33Å; W342-F357 AromaticContact CZ3-CD1 3.66Å; W342-F357 HydrophobicContact CZ3-CD1 3.66Å; W342-F357 HydrophobicContact CZ3-CE1 4.1Å; W342-L358 HydrophobicContact CH2-CB 4.2Å; W342-L358 HydrophobicContact CZ3-CB 4.48Å
343	L	84.6	Confident	80.3	Confident	84 Å²	84	79.1 Å²	79.1	44%	0.44	43%	0.43	S	S	.	.	H	α-helix	trans	-68.1	-37.9	178	-74.7	172.2	0	0	0	111.8	L339 T340 R341 A347	L339-L343 HydrophobicContact CD1-CD1 3.93Å; L339-L343 HydrophobicContact CD1-CG 3.91Å; L339-L343 HydrophobicContact CD2-CD1 4.41Å; L339-L343 HydrophobicContact CG-CD1 3.79Å; L339-L343 HydrophobicContact CG-CG 4.22Å; L339-L343 WeakPolarHBondContact O-CB 3.48Å; L339-L343 VanDerWaalsContact O-CG 3.25Å; L339-L343 WeakPolarHBondContact O-CG 3.12Å; L339-L343 PolarHBondContact O-N 3.39Å; T340-L343 PolarHBondContact O-N 3.41Å; R341-L343 PolarHBondContact O-N 2.95Å; L343-A347 WeakPolarHBondContact O-CA 3.49Å; L343-A347 WeakPolarHBondContact O-CB 3.4Å; L343-A347 PolarHBondContact O-N 3.3Å
344	E	85.8	Confident	80.6	Confident	151 Å²	151	73.8 Å²	73.8	71%	0.706	41%	0.411	S	S	*	.	H	α-helix	trans	-63.1	-47.8	175.5	-73.3	169.1	-171.2	0	0	111.9	T340 R341	T340-E344 WeakPolarHBondContact O-CG 3.48Å; T340-E344 PolarHBondContact O-N 3.3Å; R341-E344 PolarHBondContact O-N 2.86Å
345	E	82.8	Confident	80.9	Confident	70 Å²	70	68.8 Å²	68.8	33%	0.327	39%	0.391	S	S	.	.	H	α-helix	trans	-72.3	-33.3	-179.6	-70	173.9	171.4	0	0	111.9	R341 F357	R341-E345 HydrophobicContact CG-CG 4.38Å; R341-E345 IonicContact CZ-OE1 3.18Å; R341-E345 IonicContact NE-OE1 3.99Å; R341-E345 PolarHBondContact NE-OE1 3.02Å; R341-E345 IonicContact NE-OE2 2.65Å; R341-E345 IonicContact NH2-OE1 2.72Å; R341-E345 PolarHBondContact NH2-OE1 2.86Å; R341-E345 VanDerWaalsContact NH2-OE1 3.14Å; R341-E345 WeakPolarHBondContact O-CB 3.3Å; R341-E345 WeakPolarHBondContact O-CG 3.44Å; R341-E345 PolarHBondContact O-N 3.22Å; E345-F357 HydrophobicContact CB-CE1 4.35Å; E345-F357 HydrophobicContact CB-CZ 4.23Å; E345-F357 WeakPolarHBondContact OE2-CE1 3.45Å; E345-F357 WeakPolarHBondContact OE2-CZ 3.21Å
346	T	84.5	Confident	81.4	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-102.9	4.3	-174.6	73.7	0	0	0	0	115.5	W342 S348 M349 K354 F357	W342-T346 HydrophobicContact CD2-CG2 3.76Å; W342-T346 HydrophobicContact CE3-CG2 3.88Å; W342-T346 HydrophobicContact CG-CG2 4.41Å; W342-T346 HydrophobicContact CH2-CG2 3.92Å; W342-T346 HydrophobicContact CZ2-CG2 3.78Å; W342-T346 HydrophobicContact CZ3-CG2 3.98Å; W342-T346 WeakPolarHBondContact O-CB 3.19Å; W342-T346 VanDerWaalsContact O-CG2 3.27Å; W342-T346 WeakPolarHBondContact O-CG2 3.3Å; W342-T346 PolarHBondContact O-N 3.26Å; W342-T346 PolarHBondContact O-OG1 3.42Å; T346-S348 VanDerWaalsContact C-N 3.26Å; T346-S348 PolarHBondContact O-N 2.88Å; T346-M349 HydrophobicContact CG2-SD 4.08Å; T346-M349 PolarHBondContact O-N 3.37Å; T346-M349 VanDerWaalsContact O-N 3.15Å; T346-K354 HydrophobicContact CG2-CD 4.47Å; T346-K354 HydrophobicContact CG2-CG 4.09Å; T346-K354 WeakPolarHBondContact O-CE 3.37Å; T346-K354 PolarHBondContact O-NZ 3.26Å; T346-K354 PolarHBondContact OG1-NZ 3.42Å; T346-K354 VanDerWaalsContact OG1-NZ 3.08Å; T346-F357 HydrophobicContact CG2-CD1 4.12Å
347	A	81.8	Confident	82.4	Confident	84 Å²	84	69.8 Å²	69.8	69%	0.694	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-39	-176.8	0	0	0	0	0	113	L343	L343-A347 WeakPolarHBondContact O-CA 3.49Å; L343-A347 WeakPolarHBondContact O-CB 3.4Å; L343-A347 PolarHBondContact O-N 3.3Å
348	S	81.6	Confident	83.1	Confident	113 Å²	113	69.1 Å²	69.1	79%	0.79	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	2.9	-178.5	55.2	0	0	0	0	114.3	T346	T346-S348 VanDerWaalsContact C-N 3.26Å; T346-S348 PolarHBondContact O-N 2.88Å
349	M	88.2	Confident	83	Confident	51 Å²	51	70.6 Å²	70.6	25%	0.251	38%	0.376	S	S	.	.			trans	-98.5	138.6	-170.6	-59.3	-179.1	85.3	0	0	112.8	T346 E353 K354 F357	T346-M349 HydrophobicContact CG2-SD 4.08Å; T346-M349 PolarHBondContact O-N 3.37Å; T346-M349 VanDerWaalsContact O-N 3.15Å; M349-E353 VanDerWaalsContact CA-OE2 3.28Å; M349-E353 WeakPolarHBondContact CA-OE2 3.37Å; M349-E353 HydrophobicContact CB-CB 3.91Å; M349-E353 HydrophobicContact CE-CB 3.83Å; M349-E353 WeakPolarHBondContact CE-O 3.26Å; M349-E353 HydrophobicContact CG-CB 4.49Å; M349-K354 HydrophobicContact CB-CG 3.87Å; M349-K354 WeakPolarHBondContact O-CE 3.35Å; M349-F357 HydrophobicContact CE-CB 3.79Å; M349-F357 HydrophobicContact CE-CD2 4.43Å; M349-F357 HydrophobicContact CE-CG 4.29Å; M349-F357 HydrophobicContact SD-CB 4.35Å; M349-F357 HydrophobicContact SD-CG 4.43Å
350	S	85.3	Confident	83	Confident	54 Å²	54	73.1 Å²	73.1	38%	0.378	39%	0.39	S	S	.	.			trans	-66	165	169.8	81.8	0	0	0	0	111.7	Q352 E353 K354	S350-Q352 PolarHBondContact O-N 2.9Å; S350-Q352 PolarHBondContact OG-N 3.46Å; S350-E353 PolarHBondContact N-OE2 2.88Å; S350-E353 PolarHBondContact O-N 3.21Å; S350-E353 WeakPolarHBondContact OG-CG 3.47Å; S350-E353 PolarHBondContact OG-N 2.92Å; S350-K354 WeakPolarHBondContact O-CG 3.25Å; S350-K354 PolarHBondContact O-N 2.85Å
351	S	81	Confident	82.5	Confident	29 Å²	29	71.3 Å²	71.3	20%	0.203	37%	0.374	C	S	.	.	H	α-helix	trans	-55.6	-38.6	177.4	-150.1	0	0	0	0	112.9	R325 W328 M355	R325-S351 VanDerWaalsContact NE-CB 3.31Å; R325-S351 PolarHBondContact NE-OG 3.4Å; R325-S351 VanDerWaalsContact NH2-CB 3.29Å; W328-S351 WeakPolarHBondContact CZ2-O 3.28Å; W328-S351 PolarHBondContact NE1-OG 2.85Å; S351-M355 PolarHBondContact O-N 3.02Å; S351-M355 VanDerWaalsContact O-N 3.07Å
352	Q	80.7	Confident	81.8	Confident	136 Å²	136	69.9 Å²	69.9	64%	0.636	38%	0.375	S	S	*	.	H	α-helix	trans	-72	-41.2	-178.1	-175.2	175.6	-4.9	0	0	110.3	S350 K354 M355 H356	S350-Q352 PolarHBondContact O-N 2.9Å; S350-Q352 PolarHBondContact OG-N 3.46Å; Q352-K354 VanDerWaalsContact C-N 3.34Å; Q352-K354 PolarHBondContact O-N 3.23Å; Q352-M355 WeakPolarHBondContact O-CB 3.49Å; Q352-M355 PolarHBondContact O-N 2.99Å; Q352-H356 PolarHBondContact O-CD2 3.07Å; Q352-H356 PolarHBondContact O-N 3.45Å
353	E	87.2	Confident	80.6	Confident	95 Å²	95	72.6 Å²	72.6	44%	0.444	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-39.9	174.1	-70.9	163.3	-172.8	0	0	111.5	M349 S350 M355 H356 F357	M349-E353 VanDerWaalsContact CA-OE2 3.28Å; M349-E353 WeakPolarHBondContact CA-OE2 3.37Å; M349-E353 HydrophobicContact CB-CB 3.91Å; M349-E353 HydrophobicContact CE-CB 3.83Å; M349-E353 WeakPolarHBondContact CE-O 3.26Å; M349-E353 HydrophobicContact CG-CB 4.49Å; S350-E353 PolarHBondContact N-OE2 2.88Å; S350-E353 PolarHBondContact O-N 3.21Å; S350-E353 WeakPolarHBondContact OG-CG 3.47Å; S350-E353 PolarHBondContact OG-N 2.92Å; E353-M355 VanDerWaalsContact C-N 3.34Å; E353-M355 PolarHBondContact O-N 3.43Å; E353-H356 PolarHBondContact O-N 3.45Å; E353-F357 WeakPolarHBondContact O-CB 3.46Å; E353-F357 PolarHBondContact O-N 3.48Å
354	K	86.3	Confident	79.3	Confident	26 Å²	26	72.3 Å²	72.3	11%	0.113	40%	0.402	C	S	.	.	H	α-helix	trans	-61.2	-40	172.8	-68.7	-174.1	-166.7	-137.4	0	112.6	W328 W342 T346 M349 S350 Q352 F357 L358	W328-K354 HydrophobicContact CB-CD 4.39Å; W328-K354 HydrophobicContact CD2-CB 4.05Å; W328-K354 HydrophobicContact CD2-CD 3.96Å; W328-K354 HydrophobicContact CE3-CB 4.08Å; W328-K354 HydrophobicContact CG-CD 3.88Å; W328-K354 HydrophobicContact CH2-CB 3.81Å; W328-K354 HydrophobicContact CZ2-CB 3.83Å; W328-K354 HydrophobicContact CZ3-CB 3.95Å; W342-K354 HydrophobicContact CH2-CB 4.37Å; W342-K354 HydrophobicContact CZ2-CB 4.17Å; W342-K354 HydrophobicContact CZ2-CD 4.35Å; W342-K354 HydrophobicContact CZ2-CG 4.43Å; T346-K354 HydrophobicContact CG2-CD 4.47Å; T346-K354 HydrophobicContact CG2-CG 4.09Å; T346-K354 WeakPolarHBondContact O-CE 3.37Å; T346-K354 PolarHBondContact O-NZ 3.26Å; T346-K354 PolarHBondContact OG1-NZ 3.42Å; T346-K354 VanDerWaalsContact OG1-NZ 3.08Å; M349-K354 HydrophobicContact CB-CG 3.87Å; M349-K354 WeakPolarHBondContact O-CE 3.35Å; S350-K354 WeakPolarHBondContact O-CG 3.25Å; S350-K354 PolarHBondContact O-N 2.85Å; Q352-K354 VanDerWaalsContact C-N 3.34Å; Q352-K354 PolarHBondContact O-N 3.23Å; K354-F357 PolarHBondContact O-N 2.97Å; K354-L358 WeakPolarHBondContact O-CB 3.48Å; K354-L358 PolarHBondContact O-N 3.15Å
355	M	82.9	Confident	77.6	Confident	81 Å²	81	71 Å²	71	40%	0.399	40%	0.396	S	S	.	.	H	α-helix	trans	-60.6	-49.5	172.4	-91.4	-55.4	-64.8	0	0	111.1	W328 S351 Q352 E353 F357 L358 V359	W328-M355 HydrophobicContact CH2-CB 4.12Å; W328-M355 HydrophobicContact CH2-CG 3.51Å; W328-M355 HydrophobicContact CH2-SD 3.58Å; W328-M355 VanDerWaalsContact CH2-SD 3.58Å; W328-M355 HydrophobicContact CZ2-CG 3.89Å; W328-M355 HydrophobicContact CZ2-SD 4.37Å; W328-M355 HydrophobicContact CZ3-SD 4.4Å; S351-M355 PolarHBondContact O-N 3.02Å; S351-M355 VanDerWaalsContact O-N 3.07Å; Q352-M355 WeakPolarHBondContact O-CB 3.49Å; Q352-M355 PolarHBondContact O-N 2.99Å; E353-M355 VanDerWaalsContact C-N 3.34Å; E353-M355 PolarHBondContact O-N 3.43Å; M355-F357 VanDerWaalsContact C-N 3.31Å; M355-F357 PolarHBondContact O-N 2.95Å; M355-L358 WeakPolarHBondContact O-CB 3.29Å; M355-L358 PolarHBondContact O-N 2.91Å; M355-V359 HydrophobicContact CE-CG2 4.33Å; M355-V359 VanDerWaalsContact O-CG2 3.31Å; M355-V359 WeakPolarHBondContact O-CG2 3.28Å; M355-V359 PolarHBondContact O-N 3.31Å
356	H	82.2	Confident	75.6	Confident	108 Å²	108	69.5 Å²	69.5	50%	0.5	39%	0.393	S	S	.	.	H	α-helix	trans	-62.3	-39.1	178.8	-75.1	-65.7	0	0	0	112.3	Q352 E353 V359 N360	Q352-H356 PolarHBondContact O-CD2 3.07Å; Q352-H356 PolarHBondContact O-N 3.45Å; E353-H356 PolarHBondContact O-N 3.45Å; H356-V359 PolarHBondContact O-N 2.8Å; H356-N360 WeakPolarHBondContact O-CB 3.47Å; H356-N360 VanDerWaalsContact O-CG 3.26Å; H356-N360 PolarHBondContact O-N 3.16Å
357	F	83.2	Confident	73.5	Confident	45 Å²	45	73.8 Å²	73.8	20%	0.197	43%	0.429	C	S	.	.	H	α-helix	trans	-62.9	-45.8	174.9	-174.4	-105.5	0	0	0	112	W342 E345 T346 M349 E353 K354 M355 V359 N360 Q361	W342-F357 HydrophobicContact CE3-CD1 4.26Å; W342-F357 HydrophobicContact CE3-CE1 4.29Å; W342-F357 HydrophobicContact CH2-CD1 4.33Å; W342-F357 AromaticContact CZ3-CD1 3.66Å; W342-F357 HydrophobicContact CZ3-CD1 3.66Å; W342-F357 HydrophobicContact CZ3-CE1 4.1Å; E345-F357 HydrophobicContact CB-CE1 4.35Å; E345-F357 HydrophobicContact CB-CZ 4.23Å; E345-F357 WeakPolarHBondContact OE2-CE1 3.45Å; E345-F357 WeakPolarHBondContact OE2-CZ 3.21Å; T346-F357 HydrophobicContact CG2-CD1 4.12Å; M349-F357 HydrophobicContact CE-CB 3.79Å; M349-F357 HydrophobicContact CE-CD2 4.43Å; M349-F357 HydrophobicContact CE-CG 4.29Å; M349-F357 HydrophobicContact SD-CB 4.35Å; M349-F357 HydrophobicContact SD-CG 4.43Å; E353-F357 WeakPolarHBondContact O-CB 3.46Å; E353-F357 PolarHBondContact O-N 3.48Å; K354-F357 PolarHBondContact O-N 2.97Å; M355-F357 VanDerWaalsContact C-N 3.31Å; M355-F357 PolarHBondContact O-N 2.95Å; F357-V359 PolarHBondContact O-N 3.35Å; F357-N360 PolarHBondContact O-N 2.92Å; F357-Q361 HydrophobicContact CD1-CG 4.4Å; F357-Q361 HydrophobicContact CE1-CG 4.05Å; F357-Q361 HydrophobicContact CZ-CG 4.18Å; F357-Q361 WeakPolarHBondContact O-CG 3.46Å; F357-Q361 PolarHBondContact O-N 3.32Å
358	L	81.7	Confident	71.5	Confident	25 Å²	25	78.2 Å²	78.2	13%	0.131	44%	0.435	C	S	.	.	H	α-helix	trans	-59.2	-47	174.2	177.3	69.3	0	0	0	111.4	W328 V331 L335 W342 K354 M355 N360 Q361 L362	W328-L358 HydrophobicContact CZ3-CD2 4.46Å; V331-L358 HydrophobicContact CG1-CD1 3.78Å; V331-L358 HydrophobicContact CG1-CD2 3.9Å; V331-L358 HydrophobicContact CG1-CG 4.43Å; L335-L358 HydrophobicContact CD1-CD1 3.79Å; L335-L358 HydrophobicContact CD2-CD1 3.87Å; L335-L358 HydrophobicContact CG-CD1 4.22Å; W342-L358 HydrophobicContact CH2-CB 4.2Å; W342-L358 HydrophobicContact CZ3-CB 4.48Å; K354-L358 WeakPolarHBondContact O-CB 3.48Å; K354-L358 PolarHBondContact O-N 3.15Å; M355-L358 WeakPolarHBondContact O-CB 3.29Å; M355-L358 PolarHBondContact O-N 2.91Å; L358-N360 VanDerWaalsContact C-N 3.33Å; L358-N360 PolarHBondContact O-N 2.71Å; L358-Q361 WeakPolarHBondContact O-CB 3.32Å; L358-Q361 PolarHBondContact O-N 2.96Å; L358-L362 HydrophobicContact CD1-CD1 4.32Å; L358-L362 HydrophobicContact CD1-CG 4.41Å; L358-L362 HydrophobicContact CG-CD1 4.07Å; L358-L362 WeakPolarHBondContact O-CG 3.44Å; L358-L362 PolarHBondContact O-N 3.03Å
359	V	78	Confident	69.5	Low	58 Å²	58	79.1 Å²	79.1	35%	0.352	43%	0.431	S	S	.	.	H	α-helix	trans	-59.9	-45.5	178	171.1	0	0	0	0	110	M355 H356 F357 Q361 L362 T363	M355-V359 HydrophobicContact CE-CG2 4.33Å; M355-V359 VanDerWaalsContact O-CG2 3.31Å; M355-V359 WeakPolarHBondContact O-CG2 3.28Å; M355-V359 PolarHBondContact O-N 3.31Å; H356-V359 PolarHBondContact O-N 2.8Å; F357-V359 PolarHBondContact O-N 3.35Å; V359-Q361 VanDerWaalsContact C-N 3.3Å; V359-Q361 PolarHBondContact O-N 3.38Å; V359-L362 CarbonylContact O-C 3.59Å; V359-L362 PolarHBondContact O-N 3.09Å; V359-L362 VanDerWaalsContact O-N 3.16Å; V359-T363 HydrophobicContact CG1-CG2 3.96Å; V359-T363 WeakPolarHBondContact O-CB 2.97Å; V359-T363 WeakPolarHBondContact O-CG2 3.24Å; V359-T363 PolarHBondContact O-N 3.29Å; V359-T363 PolarHBondContact O-OG1 2.8Å
360	N	77.5	Confident	67.4	Low	102 Å²	102	84 Å²	84	55%	0.545	46%	0.456	S	S	.	.	H	α-helix	trans	-62.8	-35.1	177.2	-72.6	-9.9	0	0	0	112.8	H356 F357 L358 T363 A364	H356-N360 WeakPolarHBondContact O-CB 3.47Å; H356-N360 VanDerWaalsContact O-CG 3.26Å; H356-N360 PolarHBondContact O-N 3.16Å; F357-N360 PolarHBondContact O-N 2.92Å; L358-N360 VanDerWaalsContact C-N 3.33Å; L358-N360 PolarHBondContact O-N 2.71Å; N360-T363 WeakPolarHBondContact CA-OG1 3.34Å; N360-T363 PolarHBondContact O-OG1 3.02Å; N360-A364 WeakPolarHBondContact O-CB 3.5Å; N360-A364 PolarHBondContact O-N 3.46Å
361	Q	72	Confident	65.5	Low	63 Å²	63	90.2 Å²	90.2	29%	0.294	48%	0.479	S	S	.	.	H	α-helix	trans	-67.4	-41.4	173.6	-71.9	-67.8	-12.5	0	0	111.8	F357 L358 V359 Q365	F357-Q361 HydrophobicContact CD1-CG 4.4Å; F357-Q361 HydrophobicContact CE1-CG 4.05Å; F357-Q361 HydrophobicContact CZ-CG 4.18Å; F357-Q361 WeakPolarHBondContact O-CG 3.46Å; F357-Q361 PolarHBondContact O-N 3.32Å; L358-Q361 WeakPolarHBondContact O-CB 3.32Å; L358-Q361 PolarHBondContact O-N 2.96Å; V359-Q361 VanDerWaalsContact C-N 3.3Å; V359-Q361 PolarHBondContact O-N 3.38Å; Q361-Q365 WeakPolarHBondContact O-CG 3.35Å; Q361-Q365 PolarHBondContact O-N 2.88Å
362	L	65.6	Low	64.3	Low	86 Å²	86	93 Å²	93	45%	0.45	49%	0.488	S	S	.	.	H	α-helix	trans	-70.7	-39.5	177.4	-67.9	174	0	0	0	111.7	L358 V359 Q365 S366	L358-L362 HydrophobicContact CD1-CD1 4.32Å; L358-L362 HydrophobicContact CD1-CG 4.41Å; L358-L362 HydrophobicContact CG-CD1 4.07Å; L358-L362 WeakPolarHBondContact O-CG 3.44Å; L358-L362 PolarHBondContact O-N 3.03Å; V359-L362 CarbonylContact O-C 3.59Å; V359-L362 PolarHBondContact O-N 3.09Å; V359-L362 VanDerWaalsContact O-N 3.16Å; L362-Q365 CarbonylContact O-C 3.6Å; L362-Q365 WeakPolarHBondContact O-CB 3.34Å; L362-Q365 PolarHBondContact O-N 2.9Å; L362-S366 VanDerWaalsContact O-CB 3.26Å; L362-S366 WeakPolarHBondContact O-CB 3.41Å; L362-S366 PolarHBondContact O-N 2.64Å
363	T	60.4	Low	63.5	Low	64 Å²	64	90.3 Å²	90.3	39%	0.393	48%	0.478	S	S	.	.	H	α-helix	trans	-77.8	-31	-179.4	56.9	0	0	0	0	112.9	V359 N360 Q365 S366 A367	V359-T363 HydrophobicContact CG1-CG2 3.96Å; V359-T363 WeakPolarHBondContact O-CB 2.97Å; V359-T363 WeakPolarHBondContact O-CG2 3.24Å; V359-T363 PolarHBondContact O-N 3.29Å; V359-T363 PolarHBondContact O-OG1 2.8Å; N360-T363 WeakPolarHBondContact CA-OG1 3.34Å; N360-T363 PolarHBondContact O-OG1 3.02Å; T363-Q365 PolarHBondContact O-N 3.12Å; T363-S366 WeakPolarHBondContact CA-OG 3.3Å; T363-S366 CarbonylContact O-C 3.55Å; T363-S366 PolarHBondContact O-N 3.42Å; T363-A367 PolarHBondContact O-N 2.94Å
364	A	55.9	Low	62.3	Low	77 Å²	77	86.1 Å²	86.1	64%	0.636	46%	0.459	S	S	*	.	H	α-helix	trans	-62.3	-30.2	167.8	0	0	0	0	0	111.5	N360	N360-A364 WeakPolarHBondContact O-CB 3.5Å; N360-A364 PolarHBondContact O-N 3.46Å
365	Q	50.2	Low	61.3	Low	124 Å²	124	87.2 Å²	87.2	58%	0.579	47%	0.466	S	S	*	.	H	α-helix	trans	-81.5	-27.5	170	-68.9	179	6.3	0	0	112.7	Q361 L362 T363	Q361-Q365 WeakPolarHBondContact O-CG 3.35Å; Q361-Q365 PolarHBondContact O-N 2.88Å; L362-Q365 CarbonylContact O-C 3.6Å; L362-Q365 WeakPolarHBondContact O-CB 3.34Å; L362-Q365 PolarHBondContact O-N 2.9Å; T363-Q365 PolarHBondContact O-N 3.12Å
366	S	42	Very low	60.5	Low	39 Å²	39	88 Å²	88	27%	0.273	47%	0.468	S	S	.	.	H	α-helix	trans	-96.9	10.1	-175.7	95.2	0	0	0	0	114.6	L362 T363 E368 N369	L362-S366 VanDerWaalsContact O-CB 3.26Å; L362-S366 WeakPolarHBondContact O-CB 3.41Å; L362-S366 PolarHBondContact O-N 2.64Å; T363-S366 WeakPolarHBondContact CA-OG 3.3Å; T363-S366 CarbonylContact O-C 3.55Å; T363-S366 PolarHBondContact O-N 3.42Å; S366-E368 PolarHBondContact O-N 2.87Å; S366-N369 WeakPolarHBondContact CB-ND2 3.42Å; S366-N369 VanDerWaalsContact O-CB 3.32Å; S366-N369 WeakPolarHBondContact O-CB 3.31Å; S366-N369 PolarHBondContact O-N 3.21Å
367	A	39.7	Very low	59.7	Low	90 Å²	90	84.2 Å²	84.2	74%	0.744	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-0	174.2	0	0	0	0	0	113.1	T363	T363-A367 PolarHBondContact O-N 2.94Å
368	E	40.9	Very low	58.9	Low	177 Å²	177	82.6 Å²	82.6	83%	0.827	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	13	167.4	-63.4	-175	175.1	0	0	113.6	S366 I370	S366-E368 PolarHBondContact O-N 2.87Å; E368-I370 PolarHBondContact O-N 2.92Å
369	N	39.7	Very low	58.1	Low	131 Å²	131	89.8 Å²	89.8	70%	0.701	47%	0.473	S	S	*	.			trans	-76.6	96.3	174.9	-77.3	-10.9	0	0	0	111.3	S366 E371	S366-N369 WeakPolarHBondContact CB-ND2 3.42Å; S366-N369 VanDerWaalsContact O-CB 3.32Å; S366-N369 WeakPolarHBondContact O-CB 3.31Å; S366-N369 PolarHBondContact O-N 3.21Å; N369-E371 PolarHBondContact O-N 3.41Å
370	I	44	Very low	57.5	Low	153 Å²	153	93.8 Å²	93.8	79%	0.785	49%	0.488	S	S	*	.			trans	-50.7	122.3	173.3	-61.4	156.7	0	0	0	110.5	E368 F372	E368-I370 PolarHBondContact O-N 2.92Å; I370-F372 PolarHBondContact O-N 3.46Å
371	E	45.4	Very low	56.7	Low	185 Å²	185	94.9 Å²	94.9	86%	0.864	49%	0.49	S	S	*	.			trans	-57.6	115.1	170.3	-159.2	170.8	-157.6	0	0	108.5	N369 N373	N369-E371 PolarHBondContact O-N 3.41Å; E371-N373 PolarHBondContact O-N 3.29Å
372	F	54.3	Low	56.2	Low	87 Å²	87	92.6 Å²	92.6	38%	0.382	48%	0.48	S	S	.	.			trans	-64.6	105.5	-176	177.5	-98.3	0	0	0	110.3	I370 L374 Y377 E489 I492	I370-F372 PolarHBondContact O-N 3.46Å; F372-L374 HydrophobicContact CE1-CB 4.25Å; F372-L374 HydrophobicContact CE1-CD1 4.02Å; F372-L374 HydrophobicContact CZ-CD1 4.39Å; F372-L374 PolarHBondContact O-N 3.45Å; F372-Y377 HydrophobicContact CZ-CG 4.3Å; F372-E489 HydrophobicContact CD1-CG 4.09Å; F372-E489 HydrophobicContact CE1-CG 4Å; F372-I492 HydrophobicContact CE1-CG2 4.4Å; F372-I492 HydrophobicContact CE2-CG2 4.22Å; F372-I492 HydrophobicContact CZ-CB 4.36Å; F372-I492 HydrophobicContact CZ-CD1 4.36Å; F372-I492 HydrophobicContact CZ-CG2 3.64Å
373	N	63.7	Low	56.2	Low	80 Å²	80	96.6 Å²	96.6	43%	0.428	50%	0.502	S	S	.	.			trans	-91.9	99.8	-179	-169.5	-16.7	0	0	0	110.6	E371 N375 E376 Y377	E371-N373 PolarHBondContact O-N 3.29Å; N373-N375 PolarHBondContact O-N 3.47Å; N373-N375 WeakPolarHBondContact OD1-CB 3.03Å; N373-N375 PolarHBondContact OD1-N 3.36Å; N373-N375 VanDerWaalsContact OD1-N 3.15Å; N373-E376 HydrophobicContact CB-CB 4.04Å; N373-E376 WeakPolarHBondContact O-CB 3.38Å; N373-E376 PolarHBondContact O-N 3Å; N373-Y377 PolarHBondContact O-N 3.49Å
374	L	63.5	Low	56.8	Low	8 Å²	8	96.7 Å²	96.7	4%	0.042	50%	0.497	C	S	.	.	H	α-helix	trans	-58.4	-30.1	179.4	-175.4	63.8	0	0	0	112.8	F372 E376 Y377 I378 Y485 Y488 E489 I492	F372-L374 HydrophobicContact CE1-CB 4.25Å; F372-L374 HydrophobicContact CE1-CD1 4.02Å; F372-L374 HydrophobicContact CZ-CD1 4.39Å; F372-L374 PolarHBondContact O-N 3.45Å; L374-E376 VanDerWaalsContact C-N 3.29Å; L374-E376 PolarHBondContact O-N 2.87Å; L374-Y377 HydrophobicContact CD1-CD1 4.38Å; L374-Y377 PolarHBondContact O-N 3.34Å; L374-I378 HydrophobicContact CG-CD1 4.04Å; L374-I378 HydrophobicContact CG-CG1 4.48Å; L374-I378 WeakPolarHBondContact O-CG1 3.36Å; L374-I378 PolarHBondContact O-N 2.85Å; L374-Y485 HydrophobicContact CD2-CD1 3.49Å; L374-Y485 VanDerWaalsContact CD2-CD1 3.49Å; L374-Y485 HydrophobicContact CD2-CE1 4.24Å; L374-Y485 HydrophobicContact CD2-CG 4.23Å; L374-Y485 WeakPolarHBondContact CD2-O 3.48Å; L374-Y485 HydrophobicContact CG-CD1 4.28Å; L374-Y488 HydrophobicContact CD1-CD1 3.98Å; L374-Y488 HydrophobicContact CD1-CE1 4.38Å; L374-Y488 HydrophobicContact CD2-CD1 4.42Å; L374-E489 HydrophobicContact CD2-CB 3.91Å; L374-E489 HydrophobicContact CD2-CG 4.49Å; L374-I492 HydrophobicContact CD1-CD1 3.32Å
375	N	64.9	Low	57.6	Low	48 Å²	48	95.7 Å²	95.7	26%	0.257	48%	0.482	S	S	.	.	H	α-helix	trans	-69.6	-28.2	178.1	-67.3	-40.8	0	0	0	112.8	N373 K379 Y485	N373-N375 PolarHBondContact O-N 3.47Å; N373-N375 WeakPolarHBondContact OD1-CB 3.03Å; N373-N375 PolarHBondContact OD1-N 3.36Å; N373-N375 VanDerWaalsContact OD1-N 3.15Å; N375-K379 VanDerWaalsContact O-CG 3.32Å; N375-K379 WeakPolarHBondContact O-CG 3.35Å; N375-K379 PolarHBondContact O-N 2.84Å; N375-Y485 WeakPolarHBondContact OD1-CE1 3.48Å
376	E	65.4	Low	59	Low	97 Å²	97	89.8 Å²	89.8	45%	0.453	46%	0.455	S	S	.	.	H	α-helix	trans	-74.8	-45.1	174.2	-165.8	167.9	-164	0	0	109.9	N373 L374 I378 K379 E380	N373-E376 HydrophobicContact CB-CB 4.04Å; N373-E376 WeakPolarHBondContact O-CB 3.38Å; N373-E376 PolarHBondContact O-N 3Å; L374-E376 VanDerWaalsContact C-N 3.29Å; L374-E376 PolarHBondContact O-N 2.87Å; E376-I378 PolarHBondContact O-N 3.38Å; E376-K379 PolarHBondContact O-N 3.37Å; E376-E380 HydrophobicContact CG-CG 4.37Å; E376-E380 PolarHBondContact O-N 3.39Å
377	Y	66	Low	60.7	Low	30 Å²	30	89.1 Å²	89.1	12%	0.118	45%	0.451	C	S	.	.	H	α-helix	trans	-55.2	-46.5	174.5	-174.4	-101.3	0	0	0	112.8	F372 N373 L374 K379 E381 L382 I492 R504	F372-Y377 HydrophobicContact CZ-CG 4.3Å; N373-Y377 PolarHBondContact O-N 3.49Å; L374-Y377 HydrophobicContact CD1-CD1 4.38Å; L374-Y377 PolarHBondContact O-N 3.34Å; Y377-K379 VanDerWaalsContact C-N 3.28Å; Y377-K379 PolarHBondContact O-N 2.96Å; Y377-E381 HydrophobicContact CD2-CB 4Å; Y377-E381 HydrophobicContact CD2-CG 3.84Å; Y377-E381 HydrophobicContact CE2-CB 3.66Å; Y377-E381 HydrophobicContact CE2-CG 3.58Å; Y377-E381 WeakPolarHBondContact O-CB 3.49Å; Y377-E381 PolarHBondContact O-N 2.94Å; Y377-L382 HydrophobicContact CD1-CD1 4.14Å; Y377-L382 HydrophobicContact CE1-CD1 3.86Å; Y377-L382 HydrophobicContact CE1-CG 4.46Å; Y377-I492 HydrophobicContact CD1-CD1 3.44Å; Y377-I492 VanDerWaalsContact CD1-CD1 3.44Å; Y377-I492 HydrophobicContact CD1-CG1 4.37Å; Y377-I492 HydrophobicContact CE1-CD1 3.49Å; Y377-I492 VanDerWaalsContact CE1-CD1 3.49Å; Y377-I492 HydrophobicContact CE1-CG1 3.97Å; Y377-I492 HydrophobicContact CG-CD1 4.32Å; Y377-R504 PolarHBondContact OH-NH2 2.97Å
378	I	66.1	Low	62.7	Low	11 Å²	11	85 Å²	85	6%	0.056	42%	0.416	C	S	.	.	H	α-helix	trans	-64.8	-31.3	179	-66.6	167.9	0	0	0	112.2	L374 E376 L382 V385 L389 Y485 Y488	L374-I378 HydrophobicContact CG-CD1 4.04Å; L374-I378 HydrophobicContact CG-CG1 4.48Å; L374-I378 WeakPolarHBondContact O-CG1 3.36Å; L374-I378 PolarHBondContact O-N 2.85Å; E376-I378 PolarHBondContact O-N 3.38Å; I378-L382 HydrophobicContact CG1-CD1 4.33Å; I378-V385 HydrophobicContact CG2-CG1 4.35Å; I378-V385 HydrophobicContact CG2-CG2 3.79Å; I378-L389 HydrophobicContact CD1-CD1 4.23Å; I378-Y485 HydrophobicContact CD1-CE1 3.81Å; I378-Y488 HydrophobicContact CG1-CE1 4.37Å
379	K	65.7	Low	64.5	Low	175 Å²	175	76.6 Å²	76.6	76%	0.761	38%	0.377	S	S	*	.	H	α-helix	trans	-82.1	-36.6	-179.6	-74.8	176.5	-177.5	177.2	0	113.3	N375 E376 Y377	N375-K379 VanDerWaalsContact O-CG 3.32Å; N375-K379 WeakPolarHBondContact O-CG 3.35Å; N375-K379 PolarHBondContact O-N 2.84Å; E376-K379 PolarHBondContact O-N 3.37Å; Y377-K379 VanDerWaalsContact C-N 3.28Å; Y377-K379 PolarHBondContact O-N 2.96Å
380	E	64	Low	66.1	Low	143 Å²	143	75.8 Å²	75.8	67%	0.668	37%	0.367	S	S	*	.	H	α-helix	trans	-92.7	-41	-172.4	-64.9	-167.4	156.4	0	0	113.3	E376	E376-E380 HydrophobicContact CG-CG 4.37Å; E376-E380 PolarHBondContact O-N 3.39Å
381	E	62.2	Low	67.1	Low	124 Å²	124	71 Å²	71	58%	0.579	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-26.2	-171.4	-76.9	-101.7	146.7	0	0	113.4	Y377	Y377-E381 HydrophobicContact CD2-CB 4Å; Y377-E381 HydrophobicContact CD2-CG 3.84Å; Y377-E381 HydrophobicContact CE2-CB 3.66Å; Y377-E381 HydrophobicContact CE2-CG 3.58Å; Y377-E381 WeakPolarHBondContact O-CB 3.49Å; Y377-E381 PolarHBondContact O-N 2.94Å
382	L	61.6	Low	67.8	Low	15 Å²	15	67.6 Å²	67.6	8%	0.079	34%	0.337	C	S	.	.			trans	-107.3	112.9	-176.1	-73.1	158	0	0	0	111.4	Y377 I378 F384 Y488 E508	Y377-L382 HydrophobicContact CD1-CD1 4.14Å; Y377-L382 HydrophobicContact CE1-CD1 3.86Å; Y377-L382 HydrophobicContact CE1-CG 4.46Å; I378-L382 HydrophobicContact CG1-CD1 4.33Å; L382-F384 PolarHBondContact O-N 3.48Å; L382-F384 VanDerWaalsContact O-N 3.08Å; L382-Y488 HydrophobicContact CD1-CE1 3.97Å; L382-Y488 WeakPolarHBondContact CD1-OH 3.37Å; L382-E508 HydrophobicContact CD2-CB 4.23Å; L382-E508 HydrophobicContact CD2-CG 3.83Å
383	N	65.7	Low	67.8	Low	171 Å²	171	70 Å²	70	91%	0.914	35%	0.349	S	S	*	.	S	Bend	trans	-65.4	-9.6	174.8	-68.8	-26.3	0	0	0	113.7
384	F	73.1	Confident	67.2	Low	66 Å²	66	71.3 Å²	71.3	29%	0.289	37%	0.371	S	S	.	.	S	Bend	trans	-144.1	148	176.5	73.8	-84.9	0	0	0	110.9	L382 P386 I507 N509	L382-F384 PolarHBondContact O-N 3.48Å; L382-F384 VanDerWaalsContact O-N 3.08Å; F384-P386 HydrophobicContact CE2-CG 4.08Å; F384-I507 VanDerWaalsContact CZ-O 3.23Å; F384-I507 WeakPolarHBondContact CZ-O 3.41Å; F384-N509 HydrophobicContact CE1-CB 4.13Å; F384-N509 HydrophobicContact CZ-CB 4.11Å; F384-N509 WeakPolarHBondContact CZ-ND2 3.39Å
385	V	72.2	Confident	66.6	Low	55 Å²	55	77 Å²	77	33%	0.333	40%	0.401	S	S	.	.			trans	-91.7	121.3	171.2	-174.6	0	0	0	0	108.5	I378 L389 K390	I378-V385 HydrophobicContact CG2-CG1 4.35Å; I378-V385 HydrophobicContact CG2-CG2 3.79Å; V385-L389 HydrophobicContact CG1-CB 4.02Å; V385-K390 HydrophobicContact CB-CG 4.29Å; V385-K390 HydrophobicContact CG1-CG 4Å; V385-K390 WeakPolarHBondContact O-CE 3.39Å
386	P	78.1	Confident	66.3	Low	0 Å²	0	80.4 Å²	80.4	0%	0	42%	0.424	C	S	.	.			trans	-53.3	141.6	173.3	-27.6	34.4	0	0	0	112.1	F384 F388 L389 K390 I507	F384-P386 HydrophobicContact CE2-CG 4.08Å; P386-F388 HydrophobicContact CB-CD1 3.56Å; P386-F388 HydrophobicContact CB-CE1 3.31Å; P386-F388 HydrophobicContact CB-CZ 4.31Å; P386-F388 HydrophobicContact CG-CE1 4.11Å; P386-F388 PolarHBondContact O-N 2.96Å; P386-F388 VanDerWaalsContact O-N 3.15Å; P386-L389 HydrophobicContact CB-CD1 4.27Å; P386-L389 HydrophobicContact CB-CG 4.45Å; P386-L389 HydrophobicContact CG-CD1 4.05Å; P386-L389 PolarHBondContact O-N 3.16Å; P386-K390 PolarHBondContact O-N 3.28Å; P386-I507 HydrophobicContact CB-CG2 4.15Å; P386-I507 HydrophobicContact CG-CG2 3.77Å
387	S	78.7	Confident	66.1	Low	26 Å²	26	76.4 Å²	76.4	18%	0.182	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.9	-170	-64.2	0	0	0	0	113.5	L389 K390 D463 Y467	S387-L389 VanDerWaalsContact C-N 3.28Å; S387-L389 PolarHBondContact O-N 3.07Å; S387-K390 PolarHBondContact O-N 2.65Å; S387-K390 PolarHBondContact OG-NZ 3.48Å; S387-D463 WeakPolarHBondContact CB-OD2 3.24Å; S387-D463 PolarHBondContact N-OD1 2.96Å; S387-D463 PolarHBondContact N-OD2 2.86Å; S387-D463 PolarHBondContact OG-OD2 3.38Å; S387-Y467 VanDerWaalsContact O-CD2 3.26Å; S387-Y467 WeakPolarHBondContact O-CD2 3.41Å
388	F	81.4	Confident	66.1	Low	4 Å²	4	79.9 Å²	79.9	2%	0.018	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.1	174.7	79.5	-80.9	0	0	0	114.4	P386 L466 F470 A484 Y488 I507	P386-F388 HydrophobicContact CB-CD1 3.56Å; P386-F388 HydrophobicContact CB-CE1 3.31Å; P386-F388 HydrophobicContact CB-CZ 4.31Å; P386-F388 HydrophobicContact CG-CE1 4.11Å; P386-F388 PolarHBondContact O-N 2.96Å; P386-F388 VanDerWaalsContact O-N 3.15Å; F388-L466 HydrophobicContact CD1-CD2 3.51Å; F388-L466 HydrophobicContact CD1-CG 4.04Å; F388-L466 HydrophobicContact CE1-CD2 3.52Å; F388-L466 HydrophobicContact CE1-CG 4.47Å; F388-L466 HydrophobicContact CG-CD2 4.09Å; F388-L466 HydrophobicContact CG-CG 4.19Å; F388-L466 HydrophobicContact CZ-CD2 4.14Å; F388-F470 HydrophobicContact CB-CD2 4.08Å; F388-F470 AromaticContact CD2-CD2 3.83Å; F388-F470 HydrophobicContact CD2-CD2 3.83Å; F388-F470 AromaticContact CD2-CE2 3.72Å; F388-F470 HydrophobicContact CD2-CE2 3.72Å; F388-F470 HydrophobicContact CD2-CZ 4.35Å; F388-F470 HydrophobicContact CE2-CE2 4.13Å; F388-F470 HydrophobicContact CG-CD2 4.18Å; F388-F470 HydrophobicContact CG-CE2 4.36Å; F388-A484 HydrophobicContact CD2-CB 3.71Å; F388-A484 HydrophobicContact CE2-CB 4.05Å; F388-Y488 HydrophobicContact CZ-CD2 4.18Å; F388-Y488 HydrophobicContact CZ-CG 4.48Å; F388-I507 HydrophobicContact CE1-CD1 4.4Å; F388-I507 HydrophobicContact CE1-CG2 3.85Å; F388-I507 HydrophobicContact CZ-CD1 4.36Å; F388-I507 HydrophobicContact CZ-CG2 4.35Å
389	L	77.9	Confident	66.3	Low	0 Å²	0	80.8 Å²	80.8	0%	0	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-11.3	175.3	-63.7	175	0	0	0	113.1	I378 V385 P386 S387 T391 A484 Y485 Y488	I378-L389 HydrophobicContact CD1-CD1 4.23Å; V385-L389 HydrophobicContact CG1-CB 4.02Å; P386-L389 HydrophobicContact CB-CD1 4.27Å; P386-L389 HydrophobicContact CB-CG 4.45Å; P386-L389 HydrophobicContact CG-CD1 4.05Å; P386-L389 PolarHBondContact O-N 3.16Å; S387-L389 VanDerWaalsContact C-N 3.28Å; S387-L389 PolarHBondContact O-N 3.07Å; L389-T391 PolarHBondContact O-N 3.08Å; L389-A484 HydrophobicContact CD2-CB 3.96Å; L389-Y485 HydrophobicContact CB-CE2 4.19Å; L389-Y485 HydrophobicContact CD2-CD2 3.72Å; L389-Y485 HydrophobicContact CD2-CE2 3.96Å; L389-Y485 HydrophobicContact CD2-CG 4.2Å; L389-Y485 WeakPolarHBondContact O-CE2 3.41Å; L389-Y488 HydrophobicContact CD1-CD1 3.59Å; L389-Y488 HydrophobicContact CD1-CD2 4.41Å; L389-Y488 HydrophobicContact CD1-CE1 4.09Å; L389-Y488 HydrophobicContact CD1-CG 3.79Å
390	K	75.2	Confident	66.7	Low	114 Å²	114	77.4 Å²	77.4	50%	0.496	42%	0.42	S	S	.	.			trans	-65.6	124.4	178.6	-68	175.6	-170.3	158.3	0	110.1	V385 P386 S387	V385-K390 HydrophobicContact CB-CG 4.29Å; V385-K390 HydrophobicContact CG1-CG 4Å; V385-K390 WeakPolarHBondContact O-CE 3.39Å; P386-K390 PolarHBondContact O-N 3.28Å; S387-K390 PolarHBondContact O-N 2.65Å; S387-K390 PolarHBondContact OG-NZ 3.48Å
391	T	64.9	Low	67.4	Low	53 Å²	53	76.2 Å²	76.2	33%	0.325	42%	0.424	S	S	.	.			trans	-100.2	147.1	172.4	62.5	0	0	0	0	110.8	L389 E393 T397 I481 Y485	L389-T391 PolarHBondContact O-N 3.08Å; T391-E393 WeakPolarHBondContact CB-O 3.4Å; T391-E393 PolarHBondContact OG1-O 3.17Å; T391-E393 VanDerWaalsContact OG1-O 3.07Å; T391-T397 HydrophobicContact CG2-CG2 3.84Å; T391-I481 HydrophobicContact CG2-CB 4.41Å; T391-I481 HydrophobicContact CG2-CD1 3.69Å; T391-I481 HydrophobicContact CG2-CG1 4.09Å; T391-I481 HydrophobicContact CG2-CG2 3.47Å; T391-I481 VanDerWaalsContact CG2-CG2 3.47Å; T391-Y485 HydrophobicContact CG2-CE2 4.46Å
392	T	59.3	Low	68.2	Low	112 Å²	112	71.3 Å²	71.3	69%	0.687	40%	0.402	S	S	*	.	S	Bend	trans	-81.7	-29.6	168.4	38	0	0	0	0	112.1
393	E	54.7	Low	69.1	Low	138 Å²	138	77.1 Å²	77.1	65%	0.645	43%	0.428	S	S	*	.	S	Bend	trans	-109	131.1	-179.5	-69.4	178.1	172.8	0	0	110.1	T391 D395	T391-E393 WeakPolarHBondContact CB-O 3.4Å; T391-E393 PolarHBondContact OG1-O 3.17Å; T391-E393 VanDerWaalsContact OG1-O 3.07Å; E393-D395 PolarHBondContact O-N 3.42Å; E393-D395 VanDerWaalsContact O-N 3.1Å
394	A	50.6	Low	69.7	Low	107 Å²	107	72 Å²	72	88%	0.884	40%	0.401	S	S	*	.			trans	-82.6	31.6	-173.8	0	0	0	0	0	113.2
395	D	51.3	Low	70.1	Confident	128 Å²	128	78 Å²	78	68%	0.684	42%	0.421	S	S	*	.	S	Bend	trans	-81.3	150.2	176	-100.5	-6.8	0	0	0	111.1	E393 T397	E393-D395 PolarHBondContact O-N 3.42Å; E393-D395 VanDerWaalsContact O-N 3.1Å; D395-T397 PolarHBondContact O-N 3.09Å
396	V	58.3	Low	70.6	Confident	120 Å²	120	79 Å²	79	73%	0.727	43%	0.425	S	S	*	.			trans	-59.7	102.3	178.1	179.7	0	0	0	0	108.7	V398	V396-V398 PolarHBondContact O-N 3.44Å
397	T	61.5	Low	70.9	Confident	13 Å²	13	79 Å²	79	8%	0.08	43%	0.425	C	S	.	.			trans	-73.3	112.9	178.6	48	0	0	0	0	109.7	T391 D395 I481 Y485	T391-T397 HydrophobicContact CG2-CG2 3.84Å; D395-T397 PolarHBondContact O-N 3.09Å; T397-I481 HydrophobicContact CG2-CG2 3.57Å; T397-Y485 HydrophobicContact CG2-CE2 4.33Å; T397-Y485 WeakPolarHBondContact OG1-CE1 3.32Å
398	V	66.2	Low	71.1	Confident	102 Å²	102	79.4 Å²	79.4	62%	0.618	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-83.9	119	174	-177.1	0	0	0	0	108.9	V396 R400 E482	V396-V398 PolarHBondContact O-N 3.44Å; V398-R400 PolarHBondContact O-N 3.32Å; V398-E482 WeakPolarHBondContact O-CG 3.37Å
399	S	70.1	Confident	71.1	Confident	30 Å²	30	83.8 Å²	83.8	21%	0.21	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-60.9	128.9	173.5	-60.5	0	0	0	0	111	E489	S399-E489 WeakPolarHBondContact CB-OE2 3.42Å; S399-E489 PolarHBondContact OG-OE2 2.9Å
400	R	74.1	Confident	71.6	Confident	105 Å²	105	85 Å²	85	40%	0.396	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-79.1	133.8	168.1	-77.9	176.2	-172.2	-77.6	-7.3	109.7	V398 I402 E482 W483 G486	V398-R400 PolarHBondContact O-N 3.32Å; R400-I402 PolarHBondContact O-N 2.97Å; R400-E482 HydrophobicContact CG-CB 4Å; R400-E482 IonicContact CZ-OE2 3.98Å; R400-E482 PolarHBondContact N-O 3.28Å; R400-E482 VanDerWaalsContact N-O 3.12Å; R400-E482 IonicContact NE-OE2 2.98Å; R400-E482 PolarHBondContact NE-OE2 3.38Å; R400-E482 IonicContact NH2-OE2 2.66Å; R400-E482 PolarHBondContact NH2-OE2 2.93Å; R400-W483 HydrophobicContact CB-CD2 4.24Å; R400-W483 HydrophobicContact CB-CE3 4.19Å; R400-W483 HydrophobicContact CB-CZ3 4.43Å; R400-G486 VanDerWaalsContact O-CA 3.28Å; R400-G486 WeakPolarHBondContact O-CA 3.43Å
401	P	78.3	Confident	72.1	Confident	118 Å²	118	79.8 Å²	79.8	77%	0.766	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-65.3	129.7	178.9	26.8	-33.5	0	0	0	110.3
402	I	78.8	Confident	73.1	Confident	21 Å²	21	82.7 Å²	82.7	11%	0.108	44%	0.441	C	S	.	.			trans	-116.6	132.1	175.2	-66.6	178.3	0	0	0	108.4	R400 D406 C407 W483 F487	R400-I402 PolarHBondContact O-N 2.97Å; I402-D406 HydrophobicContact CG2-CB 4.07Å; I402-C407 HydrophobicContact CG2-CB 3.9Å; I402-W483 HydrophobicContact CD1-CE3 3.7Å; I402-W483 HydrophobicContact CD1-CZ3 4.25Å; I402-W483 WeakPolarHBondContact CD1-O 3.31Å; I402-W483 HydrophobicContact CG1-CE3 3.51Å; I402-W483 HydrophobicContact CG1-CZ3 3.56Å; I402-F487 HydrophobicContact CD1-CB 3.69Å
403	H	80.8	Confident	74.5	Confident	136 Å²	136	80.9 Å²	80.9	63%	0.63	43%	0.425	S	S	*	.			trans	-74.9	150.2	173.5	-56	98.1	0	0	0	110.8	R405 D406 C407	H403-R405 PolarHBondContact O-N 2.87Å; H403-R405 VanDerWaalsContact O-N 3.16Å; H403-D406 IonicContact CG-OD2 2.71Å; H403-D406 IonicContact ND1-OD2 3.58Å; H403-D406 PolarHBondContact ND1-OD2 3.42Å; H403-D406 PolarHBondContact O-N 3.36Å; H403-C407 PolarHBondContact O-N 3.43Å
404	L	78.8	Confident	76.2	Confident	64 Å²	64	74.3 Å²	74.3	34%	0.335	39%	0.394	S	S	.	.	H	α-helix	trans	-52.4	-41	177.7	177.9	57.3	0	0	0	112.5	D406 C407 L408 M490 E494 L500	L404-D406 PolarHBondContact O-N 2.99Å; L404-C407 PolarHBondContact O-N 2.98Å; L404-L408 HydrophobicContact CD1-CD1 4.36Å; L404-L408 HydrophobicContact CD1-CG 4.36Å; L404-L408 HydrophobicContact CG-CD1 4.31Å; L404-L408 WeakPolarHBondContact O-CG 3.36Å; L404-L408 PolarHBondContact O-N 3.26Å; L404-M490 HydrophobicContact CB-CE 3.73Å; L404-M490 HydrophobicContact CD1-CE 4.42Å; L404-E494 HydrophobicContact CD1-CG 4.02Å; L404-L500 HydrophobicContact CD1-CD1 3.68Å
405	R	80	Confident	78.1	Confident	192 Å²	192	70.1 Å²	70.1	73%	0.725	36%	0.356	S	S	*	.	H	α-helix	trans	-58.9	-46.9	176.1	-176.6	-178.6	-176.1	-179.8	1.3	112	H403 L408 L409	H403-R405 PolarHBondContact O-N 2.87Å; H403-R405 VanDerWaalsContact O-N 3.16Å; R405-L408 PolarHBondContact O-N 2.99Å; R405-L409 HydrophobicContact CG-CD1 4.34Å; R405-L409 WeakPolarHBondContact O-CG 3.42Å; R405-L409 PolarHBondContact O-N 3.38Å
406	D	83.5	Confident	79.8	Confident	75 Å²	75	68.7 Å²	68.7	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-70.5	-37	-177.5	-58.7	-29.3	0	0	0	110.6	I402 H403 L404 L408 L409 L410	I402-D406 HydrophobicContact CG2-CB 4.07Å; H403-D406 IonicContact CG-OD2 2.71Å; H403-D406 IonicContact ND1-OD2 3.58Å; H403-D406 PolarHBondContact ND1-OD2 3.42Å; H403-D406 PolarHBondContact O-N 3.36Å; L404-D406 PolarHBondContact O-N 2.99Å; D406-L408 PolarHBondContact O-N 3.36Å; D406-L409 PolarHBondContact O-N 2.81Å; D406-L410 WeakPolarHBondContact O-CB 3.48Å; D406-L410 PolarHBondContact O-N 2.57Å
407	C	85.3	Confident	81.3	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-42.4	172.3	-175.3	0	0	0	0	111.9	I402 H403 L404 L410 T411 F487 M490	I402-C407 HydrophobicContact CG2-CB 3.9Å; H403-C407 PolarHBondContact O-N 3.43Å; L404-C407 PolarHBondContact O-N 2.98Å; C407-L410 PolarHBondContact O-N 2.75Å; C407-T411 WeakPolarHBondContact O-CB 3.47Å; C407-T411 PolarHBondContact O-N 3.43Å; C407-T411 PolarHBondContact O-OG1 3.49Å; C407-F487 HydrophobicContact CB-CD2 4.46Å; C407-F487 HydrophobicContact CB-CE2 4.48Å; C407-F487 WeakPolarHBondContact SG-CE2 3.48Å; C407-M490 HydrophobicContact CB-CG 4.09Å
408	L	81.4	Confident	82.6	Confident	35 Å²	35	64.7 Å²	64.7	18%	0.183	32%	0.318	C	S	.	.	H	α-helix	trans	-67.7	-41.3	176	-75.6	172	0	0	0	112.9	L404 R405 D406 T411 H412 N497 L500 F569	L404-L408 HydrophobicContact CD1-CD1 4.36Å; L404-L408 HydrophobicContact CD1-CG 4.36Å; L404-L408 HydrophobicContact CG-CD1 4.31Å; L404-L408 WeakPolarHBondContact O-CG 3.36Å; L404-L408 PolarHBondContact O-N 3.26Å; R405-L408 PolarHBondContact O-N 2.99Å; D406-L408 PolarHBondContact O-N 3.36Å; L408-T411 PolarHBondContact O-N 3.13Å; L408-H412 WeakPolarHBondContact O-CB 3.21Å; L408-H412 PolarHBondContact O-N 3.21Å; L408-N497 WeakPolarHBondContact CD2-ND2 3.32Å; L408-L500 HydrophobicContact CD2-CD1 4.33Å; L408-L500 HydrophobicContact CD2-CD2 3.83Å; L408-L500 HydrophobicContact CD2-CG 3.91Å; L408-L500 HydrophobicContact CG-CD2 4.49Å; L408-F569 HydrophobicContact CD1-CD1 4.4Å
409	L	82.4	Confident	83.6	Confident	97 Å²	97	63.2 Å²	63.2	51%	0.508	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-42.9	175.3	-71.2	173.6	0	0	0	111.2	R405 D406 H412 E413	R405-L409 HydrophobicContact CG-CD1 4.34Å; R405-L409 WeakPolarHBondContact O-CG 3.42Å; R405-L409 PolarHBondContact O-N 3.38Å; D406-L409 PolarHBondContact O-N 2.81Å; L409-H412 PolarHBondContact O-N 3.23Å; L409-E413 WeakPolarHBondContact O-CG 3.41Å; L409-E413 PolarHBondContact O-N 3.13Å
410	L	87.2	Confident	84.3	Confident	25 Å²	25	66.5 Å²	66.5	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-44.6	176.4	-170.9	61.5	0	0	0	111.1	D406 C407 H412 E413 I414 F469 F470 I473 F487	D406-L410 WeakPolarHBondContact O-CB 3.48Å; D406-L410 PolarHBondContact O-N 2.57Å; C407-L410 PolarHBondContact O-N 2.75Å; L410-H412 VanDerWaalsContact C-N 3.32Å; L410-H412 PolarHBondContact O-N 3.18Å; L410-E413 PolarHBondContact O-N 2.78Å; L410-I414 HydrophobicContact CG-CD1 4.26Å; L410-I414 VanDerWaalsContact O-CG1 3.25Å; L410-I414 WeakPolarHBondContact O-CG1 3.4Å; L410-I414 PolarHBondContact O-N 3.47Å; L410-F469 HydrophobicContact CD1-CE1 3.75Å; L410-F469 HydrophobicContact CD1-CZ 4Å; L410-F469 HydrophobicContact CG-CE1 4.47Å; L410-F470 HydrophobicContact CD2-CE1 4.2Å; L410-F470 HydrophobicContact CD2-CZ 4.12Å; L410-I473 HydrophobicContact CD1-CD1 3.94Å; L410-F487 HydrophobicContact CB-CE2 4.19Å; L410-F487 HydrophobicContact CD2-CB 4.48Å; L410-F487 HydrophobicContact CD2-CD2 3.64Å; L410-F487 HydrophobicContact CD2-CE2 3.91Å; L410-F487 HydrophobicContact CD2-CG 3.99Å; L410-F487 HydrophobicContact CD2-CZ 4.48Å; L410-F487 HydrophobicContact CG-CD2 4.44Å; L410-F487 HydrophobicContact CG-CE2 4.22Å
411	T	87.2	Confident	84.7	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-57.9	-43.9	174.5	-60.7	0	0	0	0	111.7	C407 L408 I414 W415 L500 L503	C407-T411 WeakPolarHBondContact O-CB 3.47Å; C407-T411 PolarHBondContact O-N 3.43Å; C407-T411 PolarHBondContact O-OG1 3.49Å; L408-T411 PolarHBondContact O-N 3.13Å; T411-I414 PolarHBondContact O-N 3.4Å; T411-W415 PolarHBondContact O-N 3.37Å; T411-W415 VanDerWaalsContact O-N 3.16Å; T411-L500 HydrophobicContact CG2-CD2 4.35Å; T411-L500 VanDerWaalsContact OG1-CD2 3.29Å; T411-L500 WeakPolarHBondContact OG1-CD2 3.49Å; T411-L503 HydrophobicContact CG2-CB 4.39Å; T411-L503 HydrophobicContact CG2-CD2 3.84Å
412	H	85.7	Confident	84.9	Confident	114 Å²	114	60.3 Å²	60.3	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-62.3	-44.7	175.9	179.9	70.3	0	0	0	112.2	L408 L409 L410 W415 K416	L408-H412 WeakPolarHBondContact O-CB 3.21Å; L408-H412 PolarHBondContact O-N 3.21Å; L409-H412 PolarHBondContact O-N 3.23Å; L410-H412 VanDerWaalsContact C-N 3.32Å; L410-H412 PolarHBondContact O-N 3.18Å; H412-W415 PolarHBondContact O-N 3.32Å; H412-K416 VanDerWaalsContact O-CB 3.3Å; H412-K416 WeakPolarHBondContact O-CB 3.21Å; H412-K416 PolarHBondContact O-N 3.04Å
413	E	88.7	Confident	84.9	Confident	74 Å²	74	62.5 Å²	62.5	35%	0.346	30%	0.295	S	S	.	.	H	α-helix	trans	-68.3	-33.7	179.1	-70.9	-61.2	137.5	0	0	112.4	L409 L410 K416 T417 F469	L409-E413 WeakPolarHBondContact O-CG 3.41Å; L409-E413 PolarHBondContact O-N 3.13Å; L410-E413 PolarHBondContact O-N 2.78Å; E413-K416 PolarHBondContact O-N 3.49Å; E413-K416 IonicContact OE1-NZ 2.71Å; E413-K416 PolarHBondContact OE1-NZ 2.87Å; E413-K416 IonicContact OE2-NZ 2.78Å; E413-K416 PolarHBondContact OE2-NZ 3.1Å; E413-T417 WeakPolarHBondContact O-CB 3.48Å; E413-T417 PolarHBondContact O-N 3.09Å; E413-T417 PolarHBondContact O-OG1 2.96Å; E413-F469 HydrophobicContact CB-CZ 4.35Å
414	I	90.4	Very high	84.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57	-52.4	170.5	-71.8	165.2	0	0	0	110	L410 T411 K416 T417 R418 F462 F465 L466 F469 F487 L503	L410-I414 HydrophobicContact CG-CD1 4.26Å; L410-I414 VanDerWaalsContact O-CG1 3.25Å; L410-I414 WeakPolarHBondContact O-CG1 3.4Å; L410-I414 PolarHBondContact O-N 3.47Å; T411-I414 PolarHBondContact O-N 3.4Å; I414-K416 PolarHBondContact O-N 3Å; I414-T417 PolarHBondContact O-N 3.12Å; I414-T417 PolarHBondContact O-OG1 2.88Å; I414-R418 WeakPolarHBondContact O-CB 3.3Å; I414-R418 PolarHBondContact O-N 2.89Å; I414-F462 HydrophobicContact CG2-CZ 4.32Å; I414-F465 HydrophobicContact CG2-CE1 4Å; I414-F465 WeakPolarHBondContact O-CZ 3.26Å; I414-L466 HydrophobicContact CD1-CD1 3.82Å; I414-L466 HydrophobicContact CG1-CD1 4.13Å; I414-L466 HydrophobicContact CG2-CD1 4.02Å; I414-F469 HydrophobicContact CB-CE1 4.42Å; I414-F469 HydrophobicContact CB-CZ 4.34Å; I414-F469 HydrophobicContact CD1-CE1 4.04Å; I414-F469 HydrophobicContact CG1-CD1 3.74Å; I414-F469 HydrophobicContact CG1-CE1 3.22Å; I414-F469 HydrophobicContact CG1-CE2 4.26Å; I414-F469 HydrophobicContact CG1-CG 4.42Å; I414-F469 HydrophobicContact CG1-CZ 3.5Å; I414-F469 VanDerWaalsContact CG1-CZ 3.5Å; I414-F487 HydrophobicContact CD1-CE1 4.03Å; I414-F487 HydrophobicContact CD1-CZ 3.85Å; I414-L503 HydrophobicContact CD1-CD2 4.22Å
415	W	90	Very high	84.3	Confident	20 Å²	20	57.7 Å²	57.7	8%	0.076	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-40.6	-178.6	-71.9	123.5	0	0	0	112.7	T411 H412 R418 K419 F462 L503 I506 E513 H516 W517	T411-W415 PolarHBondContact O-N 3.37Å; T411-W415 VanDerWaalsContact O-N 3.16Å; H412-W415 PolarHBondContact O-N 3.32Å; W415-R418 PolarHBondContact O-N 3.33Å; W415-K419 WeakPolarHBondContact O-CB 3.22Å; W415-K419 PolarHBondContact O-N 3.39Å; W415-F462 HydrophobicContact CE3-CE2 4.44Å; W415-F462 HydrophobicContact CH2-CD2 4.5Å; W415-F462 AromaticContact CH2-CE2 3.64Å; W415-F462 HydrophobicContact CH2-CE2 3.64Å; W415-F462 AromaticContact CH2-CZ 3.83Å; W415-F462 HydrophobicContact CH2-CZ 3.83Å; W415-F462 HydrophobicContact CZ2-CE2 4.5Å; W415-F462 HydrophobicContact CZ2-CZ 4.32Å; W415-F462 HydrophobicContact CZ3-CD2 4.4Å; W415-F462 AromaticContact CZ3-CE2 3.62Å; W415-F462 HydrophobicContact CZ3-CE2 3.62Å; W415-F462 HydrophobicContact CZ3-CZ 4.24Å; W415-L503 HydrophobicContact CH2-CD1 4.46Å; W415-L503 HydrophobicContact CZ2-CB 4.46Å; W415-L503 HydrophobicContact CZ2-CD1 3.75Å; W415-I506 HydrophobicContact CH2-CD1 3.46Å; W415-I506 VanDerWaalsContact CH2-CD1 3.46Å; W415-I506 HydrophobicContact CZ2-CD1 3.71Å; W415-E513 HydrophobicContact CH2-CG 4.4Å; W415-E513 HydrophobicContact CZ3-CG 4.11Å; W415-H516 AromaticContact CD1-CE1 3.81Å; W415-H516 AromaticContact CD2-CD2 3.59Å; W415-H516 AromaticContact CD2-CE1 3.5Å; W415-H516 VanDerWaalsContact CD2-CE1 3.5Å; W415-H516 AromaticContact CD2-ND1 4Å; W415-H516 AromaticContact CD2-NE2 3.21Å; W415-H516 AromaticContact CE2-CE1 3.58Å; W415-H516 AromaticContact CE2-CG 3.99Å; W415-H516 AromaticContact CE2-ND1 3.73Å; W415-H516 AromaticContact CE2-NE2 3.78Å; W415-H516 AromaticContact CE3-CD2 3.24Å; W415-H516 AromaticContact CE3-CG 3.91Å; W415-H516 AromaticContact CE3-NE2 3.33Å; W415-H516 VanDerWaalsContact CE3-NE2 3.33Å; W415-H516 AromaticContact CG-CE1 3.69Å; W415-H516 AromaticContact CG-NE2 3.5Å; W415-H516 HydrophobicContact CH2-CB 4Å; W415-H516 AromaticContact CH2-CD2 3.93Å; W415-H516 AromaticContact CH2-CG 3.78Å; W415-H516 HydrophobicContact CZ2-CB 4.34Å; W415-H516 AromaticContact CZ2-CG 3.87Å; W415-H516 AromaticContact CZ2-ND1 3.89Å; W415-H516 HydrophobicContact CZ3-CB 4.23Å; W415-H516 AromaticContact CZ3-CD2 3.44Å; W415-H516 VanDerWaalsContact CZ3-CD2 3.44Å; W415-H516 WeakPolarHBondContact CZ3-CD2 3.33Å; W415-H516 AromaticContact CZ3-CG 3.78Å; W415-H516 AromaticContact NE1-CE1 3.73Å; W415-W517 HydrophobicContact CE3-CH2 4.29Å; W415-W517 HydrophobicContact CE3-CZ2 4.08Å; W415-W517 HydrophobicContact CZ3-CZ2 4.29Å
416	K	88	Confident	83.6	Confident	97 Å²	97	54.4 Å²	54.4	42%	0.422	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-44.7	177	-176.9	-178.9	171.3	-166.9	0	112.3	H412 E413 I414 K419 N420	H412-K416 VanDerWaalsContact O-CB 3.3Å; H412-K416 WeakPolarHBondContact O-CB 3.21Å; H412-K416 PolarHBondContact O-N 3.04Å; E413-K416 PolarHBondContact O-N 3.49Å; E413-K416 IonicContact OE1-NZ 2.71Å; E413-K416 PolarHBondContact OE1-NZ 2.87Å; E413-K416 IonicContact OE2-NZ 2.78Å; E413-K416 PolarHBondContact OE2-NZ 3.1Å; I414-K416 PolarHBondContact O-N 3Å; K416-K419 PolarHBondContact O-N 3.05Å; K416-N420 VanDerWaalsContact O-CG 3.28Å; K416-N420 PolarHBondContact O-N 3.1Å; K416-N420 VanDerWaalsContact O-N 3.16Å; K416-N420 PolarHBondContact O-ND2 3.34Å
417	T	88.5	Confident	82.6	Confident	41 Å²	41	56.6 Å²	56.6	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-67.8	-37.9	175.5	42.2	0	0	0	0	111.9	E413 I414 N420 E421 F469	E413-T417 WeakPolarHBondContact O-CB 3.48Å; E413-T417 PolarHBondContact O-N 3.09Å; E413-T417 PolarHBondContact O-OG1 2.96Å; I414-T417 PolarHBondContact O-N 3.12Å; I414-T417 PolarHBondContact O-OG1 2.88Å; T417-N420 PolarHBondContact O-N 3.24Å; T417-E421 PolarHBondContact O-N 3.12Å; T417-F469 HydrophobicContact CG2-CD2 4.33Å; T417-F469 HydrophobicContact CG2-CE2 4.05Å; T417-F469 VanDerWaalsContact OG1-CD2 3.3Å; T417-F469 WeakPolarHBondContact OG1-CD2 3.31Å; T417-F469 WeakPolarHBondContact OG1-CE2 3.39Å
418	R	88.5	Confident	81.4	Confident	8 Å²	8	62.2 Å²	62.2	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-40.9	174.7	-173	58.7	172	178.4	-9.3	112.3	I414 W415 E421 K422 K460 F465 E513 W517	I414-R418 WeakPolarHBondContact O-CB 3.3Å; I414-R418 PolarHBondContact O-N 2.89Å; W415-R418 PolarHBondContact O-N 3.33Å; R418-E421 IonicContact NH1-OE2 3.14Å; R418-E421 PolarHBondContact NH1-OE2 3.07Å; R418-E421 PolarHBondContact O-N 3.41Å; R418-K422 PolarHBondContact O-N 3.22Å; R418-K460 PolarHBondContact NH1-O 2.93Å; R418-K460 PolarHBondContact NH2-O 2.67Å; R418-F465 HydrophobicContact CB-CD1 4.3Å; R418-F465 HydrophobicContact CB-CE1 3.64Å; R418-F465 HydrophobicContact CB-CE2 4.17Å; R418-F465 HydrophobicContact CB-CZ 3.57Å; R418-F465 HydrophobicContact CG-CD1 4.35Å; R418-F465 HydrophobicContact CG-CE1 4.18Å; R418-F465 HydrophobicContact CG-CZ 4.4Å; R418-F465 VanDerWaalsContact N-CZ 3.35Å; R418-F465 VanDerWaalsContact NH1-CB 3.3Å; R418-E513 IonicContact CZ-OE1 3.24Å; R418-E513 IonicContact CZ-OE2 3.08Å; R418-E513 IonicContact NE-OE1 3.1Å; R418-E513 PolarHBondContact NE-OE1 2.92Å; R418-E513 VanDerWaalsContact NE-OE1 3.13Å; R418-E513 IonicContact NE-OE2 2.71Å; R418-E513 PolarHBondContact NE-OE2 3.39Å; R418-E513 IonicContact NH2-OE1 3.82Å; R418-E513 IonicContact NH2-OE2 2.68Å; R418-E513 PolarHBondContact NH2-OE2 3.27Å; R418-W517 HydrophobicContact CB-CZ2 4.28Å; R418-W517 HydrophobicContact CG-CZ2 3.83Å
419	K	86.9	Confident	80.2	Confident	71 Å²	71	62.9 Å²	62.9	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-48.2	176.4	-163.4	171.3	-169.7	128.9	0	111.1	W415 K416 E421 K422 D423 W517 E520	W415-K419 WeakPolarHBondContact O-CB 3.22Å; W415-K419 PolarHBondContact O-N 3.39Å; K416-K419 PolarHBondContact O-N 3.05Å; K419-E421 VanDerWaalsContact C-N 3.34Å; K419-E421 PolarHBondContact O-N 3.44Å; K419-K422 PolarHBondContact O-N 3.3Å; K419-D423 PolarHBondContact O-N 2.96Å; K419-W517 HydrophobicContact CB-CH2 3.65Å; K419-W517 HydrophobicContact CB-CZ3 3.94Å; K419-W517 HydrophobicContact CD-CZ3 4Å; K419-W517 HydrophobicContact CG-CH2 4.06Å; K419-W517 HydrophobicContact CG-CZ3 3.84Å; K419-E520 IonicContact NZ-OE1 2.78Å; K419-E520 PolarHBondContact NZ-OE1 3.07Å; K419-E520 IonicContact NZ-OE2 2.96Å; K419-E520 PolarHBondContact NZ-OE2 3.43Å
420	N	85.7	Confident	78.8	Confident	100 Å²	100	62 Å²	62	54%	0.535	31%	0.308	S	S	.	.	H	α-helix	trans	-60.6	-40.6	177.1	-67.7	-20.3	0	0	0	112.3	K416 T417 S424	K416-N420 VanDerWaalsContact O-CG 3.28Å; K416-N420 PolarHBondContact O-N 3.1Å; K416-N420 VanDerWaalsContact O-N 3.16Å; K416-N420 PolarHBondContact O-ND2 3.34Å; T417-N420 PolarHBondContact O-N 3.24Å; N420-S424 WeakPolarHBondContact O-CB 3.4Å; N420-S424 PolarHBondContact O-N 3.38Å
421	E	83.4	Confident	77.3	Confident	41 Å²	41	61.9 Å²	61.9	19%	0.192	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-47.9	174.7	-170.4	-178.1	-153.4	0	0	110.9	T417 R418 K419 D423 S424 V425 K460 F465	T417-E421 PolarHBondContact O-N 3.12Å; R418-E421 IonicContact NH1-OE2 3.14Å; R418-E421 PolarHBondContact NH1-OE2 3.07Å; R418-E421 PolarHBondContact O-N 3.41Å; K419-E421 VanDerWaalsContact C-N 3.34Å; K419-E421 PolarHBondContact O-N 3.44Å; E421-D423 PolarHBondContact O-N 2.95Å; E421-S424 PolarHBondContact O-N 3.27Å; E421-S424 PolarHBondContact O-OG 2.91Å; E421-V425 WeakPolarHBondContact O-CG2 3.23Å; E421-V425 PolarHBondContact O-N 3.28Å; E421-K460 WeakPolarHBondContact OE1-CD 3.38Å; E421-K460 IonicContact OE1-NZ 3.47Å; E421-K460 PolarHBondContact OE1-NZ 3.42Å; E421-F465 WeakPolarHBondContact OE2-CD2 3.42Å
422	K	80.8	Confident	75.9	Confident	52 Å²	52	66.5 Å²	66.5	23%	0.226	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-42.5	178	-89.1	-176.3	155.4	171.2	0	112.9	R418 K419 V425 K426 E513 W517	R418-K422 PolarHBondContact O-N 3.22Å; K419-K422 PolarHBondContact O-N 3.3Å; K422-V425 PolarHBondContact O-N 3.05Å; K422-K426 WeakPolarHBondContact O-CG 3.36Å; K422-K426 PolarHBondContact O-N 2.86Å; K422-E513 VanDerWaalsContact CE-OE1 3.3Å; K422-E513 WeakPolarHBondContact CE-OE1 3.41Å; K422-E513 IonicContact NZ-OE1 3.47Å; K422-E513 PolarHBondContact NZ-OE1 3.17Å; K422-E513 IonicContact NZ-OE2 2.68Å; K422-W517 HydrophobicContact CD-CZ2 4.16Å; K422-W517 VanDerWaalsContact NZ-CD1 3.29Å
423	D	78.9	Confident	74.2	Confident	66 Å²	66	70 Å²	70	35%	0.353	34%	0.342	S	S	.	.	H	α-helix	trans	-70	-36	179	-69.3	-21.8	0	0	0	111.5	K419 E421 V425 K426 E427	K419-D423 PolarHBondContact O-N 2.96Å; E421-D423 PolarHBondContact O-N 2.95Å; D423-V425 VanDerWaalsContact C-N 3.32Å; D423-V425 PolarHBondContact O-N 3.14Å; D423-K426 PolarHBondContact O-N 3.2Å; D423-K426 IonicContact OD1-NZ 3.83Å; D423-K426 PolarHBondContact OD1-NZ 2.84Å; D423-E427 WeakPolarHBondContact O-CB 3.32Å; D423-E427 WeakPolarHBondContact O-CG 3.31Å; D423-E427 PolarHBondContact O-N 3.26Å
424	S	76.5	Confident	72.6	Confident	51 Å²	51	75.2 Å²	75.2	36%	0.357	36%	0.359	S	S	.	.	H	α-helix	trans	-61	-40.8	171.5	80.7	0	0	0	0	111.8	N420 E421 E427 H428	N420-S424 WeakPolarHBondContact O-CB 3.4Å; N420-S424 PolarHBondContact O-N 3.38Å; E421-S424 PolarHBondContact O-N 3.27Å; E421-S424 PolarHBondContact O-OG 2.91Å; S424-E427 PolarHBondContact O-N 3.47Å; S424-H428 WeakPolarHBondContact O-CB 3.44Å; S424-H428 PolarHBondContact O-N 3.45Å; S424-H428 PolarHBondContact O-ND1 3.36Å
425	V	71	Confident	71	Confident	49 Å²	49	82.9 Å²	82.9	30%	0.297	39%	0.388	S	S	.	.	H	α-helix	trans	-68.2	-39	177.8	174.1	0	0	0	0	111.6	E421 K422 D423 H428 S429	E421-V425 WeakPolarHBondContact O-CG2 3.23Å; E421-V425 PolarHBondContact O-N 3.28Å; K422-V425 PolarHBondContact O-N 3.05Å; D423-V425 VanDerWaalsContact C-N 3.32Å; D423-V425 PolarHBondContact O-N 3.14Å; V425-H428 PolarHBondContact O-N 2.84Å; V425-S429 WeakPolarHBondContact O-CB 3.45Å; V425-S429 PolarHBondContact O-N 3.37Å; V425-S429 PolarHBondContact O-OG 2.88Å
426	K	66.4	Low	69.3	Low	122 Å²	122	85 Å²	85	53%	0.53	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-46.6	173.8	-71.9	173.1	-172.4	166.2	0	111.2	K422 D423 S429 I430	K422-K426 WeakPolarHBondContact O-CG 3.36Å; K422-K426 PolarHBondContact O-N 2.86Å; D423-K426 PolarHBondContact O-N 3.2Å; D423-K426 IonicContact OD1-NZ 3.83Å; D423-K426 PolarHBondContact OD1-NZ 2.84Å; K426-S429 PolarHBondContact O-N 2.93Å; K426-I430 WeakPolarHBondContact O-CB 3.47Å; K426-I430 VanDerWaalsContact O-CG1 3.27Å; K426-I430 WeakPolarHBondContact O-CG1 3.46Å; K426-I430 PolarHBondContact O-N 3.38Å
427	E	61.4	Low	67.7	Low	121 Å²	121	85.4 Å²	85.4	57%	0.565	41%	0.412	S	S	*	.	H	α-helix	trans	-63	-41.5	176.9	-78.2	-62.3	154.1	0	0	112.2	D423 S424 S429 I430 G431	D423-E427 WeakPolarHBondContact O-CB 3.32Å; D423-E427 WeakPolarHBondContact O-CG 3.31Å; D423-E427 PolarHBondContact O-N 3.26Å; S424-E427 PolarHBondContact O-N 3.47Å; E427-S429 VanDerWaalsContact C-N 3.33Å; E427-S429 PolarHBondContact O-N 3.44Å; E427-I430 PolarHBondContact O-N 2.93Å; E427-G431 PolarHBondContact O-N 2.81Å
428	H	59.7	Low	66.1	Low	119 Å²	119	85.8 Å²	85.8	55%	0.551	42%	0.419	S	S	*	.	H	α-helix	trans	-62.6	-40.6	173.9	-78.8	77.2	0	0	0	111.7	S424 V425 Q432	S424-H428 WeakPolarHBondContact O-CB 3.44Å; S424-H428 PolarHBondContact O-N 3.45Å; S424-H428 PolarHBondContact O-ND1 3.36Å; V425-H428 PolarHBondContact O-N 2.84Å; H428-Q432 WeakPolarHBondContact O-CB 3.49Å; H428-Q432 WeakPolarHBondContact O-CG 3.47Å; H428-Q432 PolarHBondContact O-N 2.87Å
429	S	56.6	Low	64.5	Low	48 Å²	48	88.8 Å²	88.8	34%	0.336	44%	0.441	S	S	.	.	H	α-helix	trans	-68.7	-43.2	178.3	-59.8	0	0	0	0	112.1	V425 K426 E427 Q432 R433	V425-S429 WeakPolarHBondContact O-CB 3.45Å; V425-S429 PolarHBondContact O-N 3.37Å; V425-S429 PolarHBondContact O-OG 2.88Å; K426-S429 PolarHBondContact O-N 2.93Å; E427-S429 VanDerWaalsContact C-N 3.33Å; E427-S429 PolarHBondContact O-N 3.44Å; S429-Q432 PolarHBondContact O-N 3.48Å; S429-R433 PolarHBondContact O-N 3.5Å
430	I	52.7	Low	62.9	Low	80 Å²	80	94.8 Å²	94.8	41%	0.41	46%	0.462	S	S	.	.	H	α-helix	trans	-65.1	-43.3	175	-67.4	163.7	0	0	0	110.2	K426 E427 Q432 R433 R434	K426-I430 WeakPolarHBondContact O-CB 3.47Å; K426-I430 VanDerWaalsContact O-CG1 3.27Å; K426-I430 WeakPolarHBondContact O-CG1 3.46Å; K426-I430 PolarHBondContact O-N 3.38Å; E427-I430 PolarHBondContact O-N 2.93Å; I430-Q432 PolarHBondContact O-N 2.89Å; I430-R433 PolarHBondContact O-N 3.26Å; I430-R434 WeakPolarHBondContact O-CB 3.43Å; I430-R434 WeakPolarHBondContact O-CG 3.44Å; I430-R434 PolarHBondContact O-N 2.94Å
431	G	56.5	Low	61.2	Low	22 Å²	22	100.6 Å²	100.6	23%	0.227	48%	0.476	C	S	.	.	H	α-helix	trans	-63.4	-37.2	175.5	0	0	0	0	0	112.9	E427 R435	E427-G431 PolarHBondContact O-N 2.81Å; G431-R435 WeakPolarHBondContact O-CB 3.4Å; G431-R435 WeakPolarHBondContact O-CG 3.4Å; G431-R435 PolarHBondContact O-N 3.41Å; G431-R435 PolarHBondContact O-NE 3.44Å
432	Q	56.6	Low	59.9	Low	100 Å²	100	105.1 Å²	105.1	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-67.8	-39	171.3	-80.4	-175.6	-1.5	0	0	111.9	H428 S429 I430 R435 S436	H428-Q432 WeakPolarHBondContact O-CB 3.49Å; H428-Q432 WeakPolarHBondContact O-CG 3.47Å; H428-Q432 PolarHBondContact O-N 2.87Å; S429-Q432 PolarHBondContact O-N 3.48Å; I430-Q432 PolarHBondContact O-N 2.89Å; Q432-R435 PolarHBondContact O-N 3.47Å; Q432-S436 WeakPolarHBondContact O-CB 3.33Å; Q432-S436 PolarHBondContact O-N 2.68Å; Q432-S436 PolarHBondContact O-OG 2.71Å
433	R	51.3	Low	58.6	Low	188 Å²	188	106.2 Å²	106.2	71%	0.709	52%	0.515	S	S	*	.	H	α-helix	trans	-66.6	-41	175.5	-142.2	179.4	-153.8	-179.6	6.9	111.7	S429 I430 S436 L437	S429-R433 PolarHBondContact O-N 3.5Å; I430-R433 PolarHBondContact O-N 3.26Å; R433-S436 PolarHBondContact O-N 3.44Å; R433-S436 PolarHBondContact O-OG 3.02Å; R433-S436 VanDerWaalsContact O-OG 3.08Å; R433-L437 WeakPolarHBondContact O-CB 3.43Å; R433-L437 WeakPolarHBondContact O-CG 3.4Å; R433-L437 PolarHBondContact O-N 2.99Å
434	R	55.5	Low	57.3	Low	184 Å²	184	111.8 Å²	111.8	69%	0.694	54%	0.539	S	S	*	.	H	α-helix	trans	-62.2	-43.7	172.6	-76.9	179.2	165.5	174.8	-3.1	111.3	I430 A438	I430-R434 WeakPolarHBondContact O-CB 3.43Å; I430-R434 WeakPolarHBondContact O-CG 3.44Å; I430-R434 PolarHBondContact O-N 2.94Å; R434-A438 WeakPolarHBondContact O-CB 3.47Å; R434-A438 PolarHBondContact O-N 2.9Å
435	R	55.6	Low	55.8	Low	160 Å²	160	114.7 Å²	114.7	60%	0.604	56%	0.555	S	S	*	*	H	α-helix	trans	-66.3	-40.4	174.6	-80.4	-175.3	-80.2	178	-7.5	112.8	G431 Q432 A438 S439	G431-R435 WeakPolarHBondContact O-CB 3.4Å; G431-R435 WeakPolarHBondContact O-CG 3.4Å; G431-R435 PolarHBondContact O-N 3.41Å; G431-R435 PolarHBondContact O-NE 3.44Å; Q432-R435 PolarHBondContact O-N 3.47Å; R435-A438 PolarHBondContact O-N 3.41Å; R435-S439 WeakPolarHBondContact O-CB 3.47Å; R435-S439 PolarHBondContact O-N 3.5Å; R435-S439 PolarHBondContact O-OG 2.76Å
436	S	55.8	Low	54.1	Low	65 Å²	65	121.2 Å²	121.2	46%	0.455	58%	0.579	S	S	.	*	H	α-helix	trans	-70.6	-35.7	179.1	74.6	0	0	0	0	112.1	Q432 R433 S439 R440	Q432-S436 WeakPolarHBondContact O-CB 3.33Å; Q432-S436 PolarHBondContact O-N 2.68Å; Q432-S436 PolarHBondContact O-OG 2.71Å; R433-S436 PolarHBondContact O-N 3.44Å; R433-S436 PolarHBondContact O-OG 3.02Å; R433-S436 VanDerWaalsContact O-OG 3.08Å; S436-S439 PolarHBondContact O-N 3.47Å; S436-R440 VanDerWaalsContact O-CB 3.23Å; S436-R440 WeakPolarHBondContact O-CB 3.23Å; S436-R440 PolarHBondContact O-N 3.07Å
437	L	54.1	Low	52.8	Low	106 Å²	106	121.3 Å²	121.3	56%	0.555	59%	0.592	S	S	*	*	H	α-helix	trans	-65.7	-39.4	170.5	-70.3	171.4	0	0	0	111.6	R433 R441	R433-L437 WeakPolarHBondContact O-CB 3.43Å; R433-L437 WeakPolarHBondContact O-CG 3.4Å; R433-L437 PolarHBondContact O-N 2.99Å; L437-R441 PolarHBondContact O-N 3Å; L437-R441 VanDerWaalsContact O-N 3.13Å
438	A	54.5	Low	51.5	Low	48 Å²	48	123.6 Å²	123.6	40%	0.397	60%	0.603	S	S	.	*	H	α-helix	trans	-65.9	-45	173.4	0	0	0	0	0	112	R434 R435 R441 L442	R434-A438 WeakPolarHBondContact O-CB 3.47Å; R434-A438 PolarHBondContact O-N 2.9Å; R435-A438 PolarHBondContact O-N 3.41Å; A438-R441 WeakPolarHBondContact O-CB 3.37Å; A438-R441 PolarHBondContact O-N 3.41Å; A438-L442 PolarHBondContact O-N 2.97Å; A438-L442 VanDerWaalsContact O-N 3.12Å
439	S	54.1	Low	50.1	Low	71 Å²	71	126.1 Å²	126.1	50%	0.497	62%	0.62	S	S	.	*	H	α-helix	trans	-65.4	-37.9	176.5	-63.4	0	0	0	0	112	R435 S436 R441 L442 S443	R435-S439 WeakPolarHBondContact O-CB 3.47Å; R435-S439 PolarHBondContact O-N 3.5Å; R435-S439 PolarHBondContact O-OG 2.76Å; S436-S439 PolarHBondContact O-N 3.47Å; S439-R441 VanDerWaalsContact C-N 3.3Å; S439-R441 PolarHBondContact O-N 2.9Å; S439-L442 CarbonylContact O-C 3.53Å; S439-L442 PolarHBondContact O-N 3.39Å; S439-L442 VanDerWaalsContact O-N 3.09Å; S439-S443 VanDerWaalsContact O-CB 3.31Å; S439-S443 WeakPolarHBondContact O-CB 3.49Å; S439-S443 PolarHBondContact O-N 3.13Å; S439-S443 PolarHBondContact O-OG 3.35Å; S439-S443 VanDerWaalsContact O-OG 3.05Å
440	R	53.3	Low	49	Very low	197 Å²	197	132.5 Å²	132.5	74%	0.743	64%	0.641	S	S	*	*	H	α-helix	trans	-66.3	-32	175.3	-171.8	-179.8	-116	-161.8	-0.8	112	S436 L442	S436-R440 VanDerWaalsContact O-CB 3.23Å; S436-R440 WeakPolarHBondContact O-CB 3.23Å; S436-R440 PolarHBondContact O-N 3.07Å; R440-L442 VanDerWaalsContact C-N 3.33Å
441	R	51.2	Low	47.8	Very low	223 Å²	223	134.3 Å²	134.3	84%	0.842	66%	0.661	S	S	*	*	H	α-helix	trans	-69.8	-29.2	171	-79.5	-178.6	170.9	177.4	-2.4	112.6	L437 A438 S439	L437-R441 PolarHBondContact O-N 3Å; L437-R441 VanDerWaalsContact O-N 3.13Å; A438-R441 WeakPolarHBondContact O-CB 3.37Å; A438-R441 PolarHBondContact O-N 3.41Å; S439-R441 VanDerWaalsContact C-N 3.3Å; S439-R441 PolarHBondContact O-N 2.9Å
442	L	55.3	Low	46.6	Very low	136 Å²	136	137.9 Å²	137.9	71%	0.712	68%	0.683	S	S	*	*	H	α-helix	trans	-92.8	-23.2	-178.7	-73.1	161.1	0	0	0	114	A438 S439 R440 Q444	A438-L442 PolarHBondContact O-N 2.97Å; A438-L442 VanDerWaalsContact O-N 3.12Å; S439-L442 CarbonylContact O-C 3.53Å; S439-L442 PolarHBondContact O-N 3.39Å; S439-L442 VanDerWaalsContact O-N 3.09Å; R440-L442 VanDerWaalsContact C-N 3.33Å; L442-Q444 PolarHBondContact O-N 2.77Å
443	S	52.9	Low	45.4	Very low	74 Å²	74	139.8 Å²	139.8	52%	0.517	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.4	15.1	-174.3	69.2	0	0	0	0	115.1	S439 T445	S439-S443 VanDerWaalsContact O-CB 3.31Å; S439-S443 WeakPolarHBondContact O-CB 3.49Å; S439-S443 PolarHBondContact O-N 3.13Å; S439-S443 PolarHBondContact O-OG 3.35Å; S439-S443 VanDerWaalsContact O-OG 3.05Å; S443-T445 PolarHBondContact O-N 2.94Å
444	Q	51.6	Low	44.7	Very low	183 Å²	183	138.2 Å²	138.2	86%	0.855	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	0.4	161.5	-78.8	-167.5	-16.3	0	0	113.1	L442	L442-Q444 PolarHBondContact O-N 2.77Å
445	T	45.9	Very low	43.5	Very low	112 Å²	112	131.8 Å²	131.8	69%	0.687	70%	0.696	S	S	*	*	S	Bend	trans	-126.3	118.9	167.1	59.4	0	0	0	0	110.3	S443	S443-T445 PolarHBondContact O-N 2.94Å
446	K	34.8	Very low	42.8	Very low	186 Å²	186	129 Å²	129	81%	0.809	70%	0.699	S	S	*	*			trans	84.3	120.8	170	-100.3	175.4	177.9	175.2	0	119
447	P	38.8	Very low	42.2	Very low	124 Å²	124	130.5 Å²	130.5	81%	0.805	70%	0.702	S	S	*	*			trans	-82.4	125.9	168.5	32	-28.9	0	0	0	110.7
448	Q	35.6	Very low	41.8	Very low	170 Å²	170	130.9 Å²	130.9	79%	0.794	71%	0.708	S	S	*	*			trans	-130.1	115.3	166	-81.3	-80	-46.4	0	0	108.5	K450	Q448-K450 PolarHBondContact O-N 3.28Å
449	L	30.4	Very low	41.9	Very low	172 Å²	172	132.2 Å²	132.2	90%	0.901	72%	0.715	S	S	*	*			trans	-75	103.9	175	-174	80.6	0	0	0	108.8
450	K	31.9	Very low	42.7	Very low	181 Å²	181	133.2 Å²	133.2	79%	0.787	71%	0.71	S	S	*	*			trans	-142.8	107.1	156.9	-74.2	-166.9	179.9	178.5	0	109.2	Q448 S452	Q448-K450 PolarHBondContact O-N 3.28Å; K450-S452 VanDerWaalsContact C-N 3.34Å; K450-S452 PolarHBondContact O-N 3.46Å
451	S	28.8	Very low	44	Very low	118 Å²	118	126.9 Å²	126.9	83%	0.825	70%	0.696	S	S	*	*			trans	-62.7	89.6	166	50.8	0	0	0	0	109.5
452	S	31.1	Very low	45.6	Very low	98 Å²	98	117.2 Å²	117.2	69%	0.685	66%	0.66	S	S	*	*			trans	-87.3	108.8	158.5	54.2	0	0	0	0	107	K450 I454	K450-S452 VanDerWaalsContact C-N 3.34Å; K450-S452 PolarHBondContact O-N 3.46Å; S452-I454 PolarHBondContact O-N 3.28Å
453	T	31.7	Very low	47	Very low	140 Å²	140	112.7 Å²	112.7	86%	0.859	64%	0.637	S	S	*	*			trans	-36.9	100.1	167.9	-49.5	0	0	0	0	110	G455	T453-G455 PolarHBondContact O-N 3.1Å
454	I	35.3	Very low	48.6	Very low	154 Å²	154	113.6 Å²	113.6	79%	0.79	63%	0.633	S	S	*	*			trans	-73.8	89.8	168	-59.8	172.1	0	0	0	103.7	S452 P456	S452-I454 PolarHBondContact O-N 3.28Å; I454-P456 WeakPolarHBondContact O-CD 3.19Å
455	G	31.6	Very low	50.4	Low	49 Å²	49	105.6 Å²	105.6	51%	0.505	60%	0.595	S	S	.	*			trans	-53.9	121	161.4	0	0	0	0	0	106	T453 N457	T453-G455 PolarHBondContact O-N 3.1Å; G455-N457 PolarHBondContact O-N 3.42Å
456	P	39.7	Very low	52.4	Low	102 Å²	102	100.3 Å²	100.3	66%	0.662	56%	0.563	S	S	*	*			trans	-54.9	132.4	176.1	19.2	-25.1	0	0	0	106.4	I454 V458	I454-P456 WeakPolarHBondContact O-CD 3.19Å; P456-V458 HydrophobicContact CB-CG2 3.91Å; P456-V458 HydrophobicContact CG-CG2 3.79Å; P456-V458 PolarHBondContact O-N 2.89Å
457	N	43.4	Very low	54.9	Low	97 Å²	97	94.9 Å²	94.9	52%	0.519	54%	0.538	S	S	.	.			trans	-62.8	71.9	167.9	-84.9	-28.3	0	0	0	107.4	G455 S459	G455-N457 PolarHBondContact O-N 3.42Å; N457-S459 PolarHBondContact O-N 2.88Å
458	V	46.1	Very low	57.2	Low	113 Å²	113	91.8 Å²	91.8	69%	0.685	51%	0.514	S	S	*	.			trans	-73.6	108	173.2	-177	0	0	0	0	103.9	P456 K460	P456-V458 HydrophobicContact CB-CG2 3.91Å; P456-V458 HydrophobicContact CG-CG2 3.79Å; P456-V458 PolarHBondContact O-N 2.89Å; V458-K460 PolarHBondContact O-N 3.4Å
459	S	57.2	Low	59.7	Low	77 Å²	77	84.1 Å²	84.1	54%	0.538	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-50.5	124.6	168.3	-61.2	0	0	0	0	108	N457 S461	N457-S459 PolarHBondContact O-N 2.88Å; S459-S461 PolarHBondContact O-N 3.45Å
460	K	69.7	Low	62.4	Low	91 Å²	91	76 Å²	76	40%	0.396	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-53.4	139.6	177.1	-59.4	180	-163.2	147.4	0	109.3	R418 E421 V458	R418-K460 PolarHBondContact NH1-O 2.93Å; R418-K460 PolarHBondContact NH2-O 2.67Å; E421-K460 WeakPolarHBondContact OE1-CD 3.38Å; E421-K460 IonicContact OE1-NZ 3.47Å; E421-K460 PolarHBondContact OE1-NZ 3.42Å; V458-K460 PolarHBondContact O-N 3.4Å
461	S	81.8	Confident	65	Low	64 Å²	64	72.5 Å²	72.5	45%	0.448	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-59.3	155.3	176.8	73.5	0	0	0	0	110.3	S459 D463 E464 F465	S459-S461 PolarHBondContact O-N 3.45Å; S461-D463 PolarHBondContact O-N 3.06Å; S461-E464 PolarHBondContact O-N 3.02Å; S461-E464 WeakPolarHBondContact OG-CB 3.43Å; S461-E464 PolarHBondContact OG-N 3.47Å; S461-E464 VanDerWaalsContact OG-N 3.15Å; S461-F465 PolarHBondContact O-N 3.44Å
462	F	84.8	Confident	67.8	Low	20 Å²	20	74.6 Å²	74.6	9%	0.088	42%	0.418	C	S	.	.	H	α-helix	trans	-59.4	-39.8	177.9	-176.8	-101.8	0	0	0	111.6	I414 W415 E464 F465 L466 L503 I506 I507 E513	I414-F462 HydrophobicContact CG2-CZ 4.32Å; W415-F462 HydrophobicContact CE3-CE2 4.44Å; W415-F462 HydrophobicContact CH2-CD2 4.5Å; W415-F462 AromaticContact CH2-CE2 3.64Å; W415-F462 HydrophobicContact CH2-CE2 3.64Å; W415-F462 AromaticContact CH2-CZ 3.83Å; W415-F462 HydrophobicContact CH2-CZ 3.83Å; W415-F462 HydrophobicContact CZ2-CE2 4.5Å; W415-F462 HydrophobicContact CZ2-CZ 4.32Å; W415-F462 HydrophobicContact CZ3-CD2 4.4Å; W415-F462 AromaticContact CZ3-CE2 3.62Å; W415-F462 HydrophobicContact CZ3-CE2 3.62Å; W415-F462 HydrophobicContact CZ3-CZ 4.24Å; F462-E464 PolarHBondContact O-N 3.04Å; F462-F465 HydrophobicContact CD2-CD1 4.36Å; F462-F465 HydrophobicContact CE2-CD1 4.3Å; F462-F465 WeakPolarHBondContact O-CB 3.37Å; F462-F465 PolarHBondContact O-N 3.38Å; F462-L466 HydrophobicContact CE1-CD2 4.29Å; F462-L466 WeakPolarHBondContact O-CB 3.27Å; F462-L466 PolarHBondContact O-N 3.16Å; F462-L503 HydrophobicContact CE1-CD1 3.95Å; F462-L503 HydrophobicContact CZ-CD1 3.58Å; F462-I506 HydrophobicContact CD1-CG2 3.59Å; F462-I506 HydrophobicContact CE1-CG2 3.76Å; F462-I506 HydrophobicContact CG-CG2 3.99Å; F462-I506 HydrophobicContact CZ-CG2 4.29Å; F462-I507 HydrophobicContact CE1-CG1 4.02Å; F462-E513 HydrophobicContact CD2-CG 3.97Å
463	D	85.1	Confident	70.3	Confident	41 Å²	41	73.7 Å²	73.7	22%	0.219	40%	0.404	C	S	.	.	H	α-helix	trans	-62	-41.6	176.6	-174.7	50.7	0	0	0	112.6	S387 S461 L466 Y467	S387-D463 WeakPolarHBondContact CB-OD2 3.24Å; S387-D463 PolarHBondContact N-OD1 2.96Å; S387-D463 PolarHBondContact N-OD2 2.86Å; S387-D463 PolarHBondContact OG-OD2 3.38Å; S461-D463 PolarHBondContact O-N 3.06Å; D463-L466 PolarHBondContact O-N 3.23Å; D463-Y467 WeakPolarHBondContact O-CB 3.46Å; D463-Y467 PolarHBondContact O-N 3.21Å
464	E	86.2	Confident	72.8	Confident	93 Å²	93	69.3 Å²	69.3	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-67.6	-38.3	175.7	-171.2	-174.2	173.9	0	0	111.8	S461 F462 N468	S461-E464 PolarHBondContact O-N 3.02Å; S461-E464 WeakPolarHBondContact OG-CB 3.43Å; S461-E464 PolarHBondContact OG-N 3.47Å; S461-E464 VanDerWaalsContact OG-N 3.15Å; F462-E464 PolarHBondContact O-N 3.04Å; E464-N468 WeakPolarHBondContact O-CB 2.81Å; E464-N468 PolarHBondContact O-N 3.16Å; E464-N468 VanDerWaalsContact O-N 3.09Å; E464-N468 PolarHBondContact O-ND2 3.34Å
465	F	89	Confident	74.7	Confident	15 Å²	15	65.4 Å²	65.4	7%	0.066	37%	0.37	C	S	.	.	H	α-helix	trans	-62.5	-48.1	172.9	161.4	-96.7	0	0	0	111.5	I414 R418 E421 S461 F462 Y467 N468 F469	I414-F465 HydrophobicContact CG2-CE1 4Å; I414-F465 WeakPolarHBondContact O-CZ 3.26Å; R418-F465 HydrophobicContact CB-CD1 4.3Å; R418-F465 HydrophobicContact CB-CE1 3.64Å; R418-F465 HydrophobicContact CB-CE2 4.17Å; R418-F465 HydrophobicContact CB-CZ 3.57Å; R418-F465 HydrophobicContact CG-CD1 4.35Å; R418-F465 HydrophobicContact CG-CE1 4.18Å; R418-F465 HydrophobicContact CG-CZ 4.4Å; R418-F465 VanDerWaalsContact N-CZ 3.35Å; R418-F465 VanDerWaalsContact NH1-CB 3.3Å; E421-F465 WeakPolarHBondContact OE2-CD2 3.42Å; S461-F465 PolarHBondContact O-N 3.44Å; F462-F465 HydrophobicContact CD2-CD1 4.36Å; F462-F465 HydrophobicContact CE2-CD1 4.3Å; F462-F465 WeakPolarHBondContact O-CB 3.37Å; F462-F465 PolarHBondContact O-N 3.38Å; F465-Y467 VanDerWaalsContact C-N 3.32Å; F465-Y467 PolarHBondContact O-N 2.91Å; F465-N468 CarbonylContact O-C 3.56Å; F465-N468 PolarHBondContact O-N 3.42Å; F465-N468 VanDerWaalsContact O-N 3.12Å; F465-F469 HydrophobicContact CZ-CB 4.41Å; F465-F469 HydrophobicContact CZ-CD2 4.36Å; F465-F469 WeakPolarHBondContact O-CB 3.45Å; F465-F469 PolarHBondContact O-N 2.94Å
466	L	87.3	Confident	77	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-63	-41.5	-178.1	-168.3	63	0	0	0	110.9	F388 I414 F462 D463 N468 F469 F470 I507	F388-L466 HydrophobicContact CD1-CD2 3.51Å; F388-L466 HydrophobicContact CD1-CG 4.04Å; F388-L466 HydrophobicContact CE1-CD2 3.52Å; F388-L466 HydrophobicContact CE1-CG 4.47Å; F388-L466 HydrophobicContact CG-CD2 4.09Å; F388-L466 HydrophobicContact CG-CG 4.19Å; F388-L466 HydrophobicContact CZ-CD2 4.14Å; I414-L466 HydrophobicContact CD1-CD1 3.82Å; I414-L466 HydrophobicContact CG1-CD1 4.13Å; I414-L466 HydrophobicContact CG2-CD1 4.02Å; F462-L466 HydrophobicContact CE1-CD2 4.29Å; F462-L466 WeakPolarHBondContact O-CB 3.27Å; F462-L466 PolarHBondContact O-N 3.16Å; D463-L466 PolarHBondContact O-N 3.23Å; L466-N468 PolarHBondContact O-N 2.9Å; L466-F469 WeakPolarHBondContact O-CB 3.48Å; L466-F469 PolarHBondContact O-N 3.4Å; L466-F470 HydrophobicContact CD1-CD2 4.12Å; L466-F470 HydrophobicContact CD1-CE2 3.82Å; L466-F470 HydrophobicContact CG-CD2 4.1Å; L466-F470 HydrophobicContact CG-CE2 4.04Å; L466-F470 WeakPolarHBondContact O-CD2 3.26Å; L466-F470 PolarHBondContact O-N 3.35Å; L466-I507 HydrophobicContact CD2-CD1 3.78Å; L466-I507 HydrophobicContact CD2-CG1 3.82Å
467	Y	87	Confident	78.9	Confident	72 Å²	72	67.2 Å²	67.2	28%	0.282	36%	0.358	S	S	.	.	H	α-helix	trans	-56.4	-48.2	171.6	175.4	-101.1	0	0	0	112.3	S387 D463 F465 F470 K471	S387-Y467 VanDerWaalsContact O-CD2 3.26Å; S387-Y467 WeakPolarHBondContact O-CD2 3.41Å; D463-Y467 WeakPolarHBondContact O-CB 3.46Å; D463-Y467 PolarHBondContact O-N 3.21Å; F465-Y467 VanDerWaalsContact C-N 3.32Å; F465-Y467 PolarHBondContact O-N 2.91Å; Y467-F470 PolarHBondContact O-N 2.89Å; Y467-K471 HydrophobicContact CE1-CD 4.31Å; Y467-K471 WeakPolarHBondContact O-CB 3.49Å; Y467-K471 PolarHBondContact O-N 3.47Å
468	N	86.9	Confident	80.6	Confident	59 Å²	59	66.3 Å²	66.3	32%	0.316	35%	0.351	S	S	.	.	H	α-helix	trans	-67.7	-35.1	179	-73.7	-45.8	0	0	0	112.6	E464 F465 L466 K471 Q472	E464-N468 WeakPolarHBondContact O-CB 2.81Å; E464-N468 PolarHBondContact O-N 3.16Å; E464-N468 VanDerWaalsContact O-N 3.09Å; E464-N468 PolarHBondContact O-ND2 3.34Å; F465-N468 CarbonylContact O-C 3.56Å; F465-N468 PolarHBondContact O-N 3.42Å; F465-N468 VanDerWaalsContact O-N 3.12Å; L466-N468 PolarHBondContact O-N 2.9Å; N468-K471 PolarHBondContact O-N 3.49Å; N468-Q472 WeakPolarHBondContact O-CB 3.43Å; N468-Q472 PolarHBondContact O-N 2.82Å
469	F	89	Confident	82.3	Confident	10 Å²	10	63.8 Å²	63.8	4%	0.044	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-50.2	175.6	175.2	-94.3	0	0	0	111.2	L410 E413 I414 T417 F465 L466 K471 Q472 I473	L410-F469 HydrophobicContact CD1-CE1 3.75Å; L410-F469 HydrophobicContact CD1-CZ 4Å; L410-F469 HydrophobicContact CG-CE1 4.47Å; E413-F469 HydrophobicContact CB-CZ 4.35Å; I414-F469 HydrophobicContact CB-CE1 4.42Å; I414-F469 HydrophobicContact CB-CZ 4.34Å; I414-F469 HydrophobicContact CD1-CE1 4.04Å; I414-F469 HydrophobicContact CG1-CD1 3.74Å; I414-F469 HydrophobicContact CG1-CE1 3.22Å; I414-F469 HydrophobicContact CG1-CE2 4.26Å; I414-F469 HydrophobicContact CG1-CG 4.42Å; I414-F469 HydrophobicContact CG1-CZ 3.5Å; I414-F469 VanDerWaalsContact CG1-CZ 3.5Å; T417-F469 HydrophobicContact CG2-CD2 4.33Å; T417-F469 HydrophobicContact CG2-CE2 4.05Å; T417-F469 VanDerWaalsContact OG1-CD2 3.3Å; T417-F469 WeakPolarHBondContact OG1-CD2 3.31Å; T417-F469 WeakPolarHBondContact OG1-CE2 3.39Å; F465-F469 HydrophobicContact CZ-CB 4.41Å; F465-F469 HydrophobicContact CZ-CD2 4.36Å; F465-F469 WeakPolarHBondContact O-CB 3.45Å; F465-F469 PolarHBondContact O-N 2.94Å; L466-F469 WeakPolarHBondContact O-CB 3.48Å; L466-F469 PolarHBondContact O-N 3.4Å; F469-K471 VanDerWaalsContact C-N 3.29Å; F469-K471 PolarHBondContact O-N 3.31Å; F469-Q472 WeakPolarHBondContact O-CB 3.32Å; F469-Q472 PolarHBondContact O-N 3.05Å; F469-Q472 VanDerWaalsContact O-N 3.12Å; F469-I473 HydrophobicContact CD1-CD1 3.88Å; F469-I473 HydrophobicContact CD2-CD1 4.37Å; F469-I473 HydrophobicContact CE1-CD1 3.24Å; F469-I473 HydrophobicContact CE1-CG1 4.41Å; F469-I473 HydrophobicContact CE2-CD1 3.81Å; F469-I473 HydrophobicContact CG-CD1 4.41Å; F469-I473 HydrophobicContact CZ-CD1 3.23Å; F469-I473 HydrophobicContact CZ-CG1 4.4Å; F469-I473 PolarHBondContact O-N 2.92Å
470	F	86.8	Confident	83.5	Confident	1 Å²	1	60.9 Å²	60.9	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-35	175.7	-86.4	-79.9	0	0	0	112.3	F388 L410 L466 Y467 Q472 I473 Y474 R480 A484 F487	F388-F470 HydrophobicContact CB-CD2 4.08Å; F388-F470 AromaticContact CD2-CD2 3.83Å; F388-F470 HydrophobicContact CD2-CD2 3.83Å; F388-F470 AromaticContact CD2-CE2 3.72Å; F388-F470 HydrophobicContact CD2-CE2 3.72Å; F388-F470 HydrophobicContact CD2-CZ 4.35Å; F388-F470 HydrophobicContact CE2-CE2 4.13Å; F388-F470 HydrophobicContact CG-CD2 4.18Å; F388-F470 HydrophobicContact CG-CE2 4.36Å; L410-F470 HydrophobicContact CD2-CE1 4.2Å; L410-F470 HydrophobicContact CD2-CZ 4.12Å; L466-F470 HydrophobicContact CD1-CD2 4.12Å; L466-F470 HydrophobicContact CD1-CE2 3.82Å; L466-F470 HydrophobicContact CG-CD2 4.1Å; L466-F470 HydrophobicContact CG-CE2 4.04Å; L466-F470 WeakPolarHBondContact O-CD2 3.26Å; L466-F470 PolarHBondContact O-N 3.35Å; Y467-F470 PolarHBondContact O-N 2.89Å; F470-Q472 VanDerWaalsContact C-N 3.33Å; F470-I473 PolarHBondContact O-N 3.15Å; F470-Y474 AromaticContact CD1-CD2 3.87Å; F470-Y474 HydrophobicContact CD1-CD2 3.87Å; F470-Y474 AromaticContact CD1-CE2 3.86Å; F470-Y474 HydrophobicContact CD1-CE2 3.86Å; F470-Y474 HydrophobicContact CE1-CE2 4.1Å; F470-Y474 PolarHBondContact O-N 3.28Å; F470-R480 HydrophobicContact CB-CG 3.95Å; F470-R480 WeakPolarHBondContact O-CD 3.44Å; F470-A484 HydrophobicContact CD1-CB 4.25Å; F470-A484 HydrophobicContact CE1-CB 4.2Å; F470-F487 HydrophobicContact CE2-CD1 4.42Å; F470-F487 HydrophobicContact CZ-CB 4.45Å; F470-F487 AromaticContact CZ-CD1 3.8Å; F470-F487 HydrophobicContact CZ-CD1 3.8Å; F470-F487 HydrophobicContact CZ-CE1 4.33Å; F470-F487 HydrophobicContact CZ-CG 4.25Å
471	K	86.4	Confident	84.1	Confident	107 Å²	107	56.8 Å²	56.8	47%	0.465	29%	0.293	S	S	.	.	H	α-helix	trans	-67.7	-31.4	174.3	-172.4	171.3	-176.6	174.2	0	113.1	Y467 N468 F469	Y467-K471 HydrophobicContact CE1-CD 4.31Å; Y467-K471 WeakPolarHBondContact O-CB 3.49Å; Y467-K471 PolarHBondContact O-N 3.47Å; N468-K471 PolarHBondContact O-N 3.49Å; F469-K471 VanDerWaalsContact C-N 3.29Å; F469-K471 PolarHBondContact O-N 3.31Å
472	Q	87	Confident	84.1	Confident	163 Å²	163	55 Å²	55	76%	0.762	28%	0.277	S	S	*	.	H	α-helix	trans	-75.2	-38.9	176.2	-176.7	177.1	-16.1	0	0	111.9	N468 F469 F470	N468-Q472 WeakPolarHBondContact O-CB 3.43Å; N468-Q472 PolarHBondContact O-N 2.82Å; F469-Q472 WeakPolarHBondContact O-CB 3.32Å; F469-Q472 PolarHBondContact O-N 3.05Å; F469-Q472 VanDerWaalsContact O-N 3.12Å; F470-Q472 VanDerWaalsContact C-N 3.33Å
473	I	85.4	Confident	84.1	Confident	78 Å²	78	57.8 Å²	57.8	40%	0.4	29%	0.287	S	S	.	.	H	α-helix	trans	-75.5	-45.7	178.5	-65	180	0	0	0	111.2	L410 F469 F470	L410-I473 HydrophobicContact CD1-CD1 3.94Å; F469-I473 HydrophobicContact CD1-CD1 3.88Å; F469-I473 HydrophobicContact CD2-CD1 4.37Å; F469-I473 HydrophobicContact CE1-CD1 3.24Å; F469-I473 HydrophobicContact CE1-CG1 4.41Å; F469-I473 HydrophobicContact CE2-CD1 3.81Å; F469-I473 HydrophobicContact CG-CD1 4.41Å; F469-I473 HydrophobicContact CZ-CD1 3.23Å; F469-I473 HydrophobicContact CZ-CG1 4.4Å; F469-I473 PolarHBondContact O-N 2.92Å; F470-I473 PolarHBondContact O-N 3.15Å
474	Y	83	Confident	84.2	Confident	49 Å²	49	55.8 Å²	55.8	19%	0.192	28%	0.277	C	S	.	.			trans	-116	100.8	-176.2	-55	-76	0	0	0	109.6	F470 I479 R480 W483	F470-Y474 AromaticContact CD1-CD2 3.87Å; F470-Y474 HydrophobicContact CD1-CD2 3.87Å; F470-Y474 AromaticContact CD1-CE2 3.86Å; F470-Y474 HydrophobicContact CD1-CE2 3.86Å; F470-Y474 HydrophobicContact CE1-CE2 4.1Å; F470-Y474 PolarHBondContact O-N 3.28Å; Y474-I479 HydrophobicContact CD1-CG2 4.18Å; Y474-R480 HydrophobicContact CD2-CG 4.49Å; Y474-R480 HydrophobicContact CG-CB 4.39Å; Y474-W483 AromaticContact CD1-CD1 3.82Å; Y474-W483 HydrophobicContact CD1-CG 4.48Å; Y474-W483 HydrophobicContact CE1-CB 4.23Å; Y474-W483 AromaticContact CE1-CD1 3.36Å; Y474-W483 HydrophobicContact CE1-CD2 4.36Å; Y474-W483 AromaticContact CE1-CG 3.76Å; Y474-W483 HydrophobicContact CE1-CG 3.76Å; Y474-W483 AromaticContact CE1-NE1 3.78Å; Y474-W483 HydrophobicContact CE2-CB 3.95Å; Y474-W483 HydrophobicContact CE2-CG 4.35Å; Y474-W483 AromaticContact CZ-CD1 3.79Å; Y474-W483 AromaticContact CZ-CG 3.68Å
475	G	75.2	Confident	84.1	Confident	71 Å²	71	52.2 Å²	52.2	73%	0.732	26%	0.259	S	S	*	.			trans	-68.9	-32.9	179.5	0	0	0	0	0	113.6
476	I	81	Confident	83.8	Confident	109 Å²	109	51.7 Å²	51.7	56%	0.559	26%	0.258	S	S	*	.	S	Bend	trans	-83.6	123.4	179	-61.4	165.7	0	0	0	109.1	Q478 I479 R480	I476-Q478 PolarHBondContact O-N 2.87Å; I476-I479 HydrophobicContact CB-CB 4.26Å; I476-I479 HydrophobicContact CB-CD1 4.1Å; I476-I479 HydrophobicContact CB-CG1 4.31Å; I476-I479 HydrophobicContact CD1-CD1 3.74Å; I476-I479 HydrophobicContact CG2-CB 4.34Å; I476-I479 HydrophobicContact CG2-CD1 4.09Å; I476-I479 HydrophobicContact CG2-CG1 4.04Å; I476-I479 PolarHBondContact O-N 3.35Å; I476-R480 VanDerWaalsContact O-CB 3.32Å; I476-R480 WeakPolarHBondContact O-CB 3.45Å; I476-R480 PolarHBondContact O-N 3.47Å
477	E	78.8	Confident	83.8	Confident	80 Å²	80	51.6 Å²	51.6	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-57.6	-49.5	-175.8	174.4	148.7	-127.6	0	0	113.5	I479 R480 I481	E477-I479 PolarHBondContact O-N 3.37Å; E477-R480 VanDerWaalsContact CG-NH2 3.31Å; E477-R480 WeakPolarHBondContact O-CB 3.41Å; E477-R480 PolarHBondContact O-N 3.02Å; E477-R480 IonicContact OE1-NH2 2.72Å; E477-R480 PolarHBondContact OE1-NH2 2.71Å; E477-R480 VanDerWaalsContact OE1-NH2 3.1Å; E477-I481 HydrophobicContact CG-CD1 3.7Å; E477-I481 WeakPolarHBondContact O-CD1 3.41Å; E477-I481 WeakPolarHBondContact O-CG1 3.44Å; E477-I481 PolarHBondContact O-N 2.84Å
478	Q	79.1	Confident	83.8	Confident	78 Å²	78	48.2 Å²	48.2	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-48.1	-179.3	-172.7	60.4	23	0	0	112.2	I476 R480 I481 E482	I476-Q478 PolarHBondContact O-N 2.87Å; Q478-R480 VanDerWaalsContact C-N 3.33Å; Q478-R480 PolarHBondContact O-N 2.91Å; Q478-I481 PolarHBondContact O-N 3.32Å; Q478-E482 PolarHBondContact NE2-OE1 2.9Å; Q478-E482 VanDerWaalsContact O-CG 3.31Å; Q478-E482 WeakPolarHBondContact O-CG 3.3Å; Q478-E482 PolarHBondContact O-N 3.27Å
479	I	81.2	Confident	83.6	Confident	61 Å²	61	46.9 Å²	46.9	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-64.6	-40.9	179.7	-64.4	175.6	0	0	0	110.5	Y474 I476 E477 I481 E482 W483	Y474-I479 HydrophobicContact CD1-CG2 4.18Å; I476-I479 HydrophobicContact CB-CB 4.26Å; I476-I479 HydrophobicContact CB-CD1 4.1Å; I476-I479 HydrophobicContact CB-CG1 4.31Å; I476-I479 HydrophobicContact CD1-CD1 3.74Å; I476-I479 HydrophobicContact CG2-CB 4.34Å; I476-I479 HydrophobicContact CG2-CD1 4.09Å; I476-I479 HydrophobicContact CG2-CG1 4.04Å; I476-I479 PolarHBondContact O-N 3.35Å; E477-I479 PolarHBondContact O-N 3.37Å; I479-I481 VanDerWaalsContact C-N 3.33Å; I479-I481 PolarHBondContact O-N 3.5Å; I479-E482 PolarHBondContact O-N 2.94Å; I479-W483 VanDerWaalsContact CG2-CD1 3.49Å; I479-W483 PolarHBondContact O-N 3.33Å
480	R	83.4	Confident	83.3	Confident	16 Å²	16	47.8 Å²	47.8	6%	0.06	24%	0.241	C	C	.	.	H	α-helix	trans	-56.3	-48	176.4	179.3	178.7	61.2	-136	1.6	111.3	F470 Y474 I476 E477 Q478 A484	F470-R480 HydrophobicContact CB-CG 3.95Å; F470-R480 WeakPolarHBondContact O-CD 3.44Å; Y474-R480 HydrophobicContact CD2-CG 4.49Å; Y474-R480 HydrophobicContact CG-CB 4.39Å; I476-R480 VanDerWaalsContact O-CB 3.32Å; I476-R480 WeakPolarHBondContact O-CB 3.45Å; I476-R480 PolarHBondContact O-N 3.47Å; E477-R480 VanDerWaalsContact CG-NH2 3.31Å; E477-R480 WeakPolarHBondContact O-CB 3.41Å; E477-R480 PolarHBondContact O-N 3.02Å; E477-R480 IonicContact OE1-NH2 2.72Å; E477-R480 PolarHBondContact OE1-NH2 2.71Å; E477-R480 VanDerWaalsContact OE1-NH2 3.1Å; Q478-R480 VanDerWaalsContact C-N 3.33Å; Q478-R480 PolarHBondContact O-N 2.91Å; R480-A484 WeakPolarHBondContact O-CB 3.21Å; R480-A484 PolarHBondContact O-N 3.03Å
481	I	81.2	Confident	83.3	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-47.9	-179	-68.7	158.9	0	0	0	110	T391 T397 E477 Q478 I479 W483 A484 Y485	T391-I481 HydrophobicContact CG2-CB 4.41Å; T391-I481 HydrophobicContact CG2-CD1 3.69Å; T391-I481 HydrophobicContact CG2-CG1 4.09Å; T391-I481 HydrophobicContact CG2-CG2 3.47Å; T391-I481 VanDerWaalsContact CG2-CG2 3.47Å; T397-I481 HydrophobicContact CG2-CG2 3.57Å; E477-I481 HydrophobicContact CG-CD1 3.7Å; E477-I481 WeakPolarHBondContact O-CD1 3.41Å; E477-I481 WeakPolarHBondContact O-CG1 3.44Å; E477-I481 PolarHBondContact O-N 2.84Å; Q478-I481 PolarHBondContact O-N 3.32Å; I479-I481 VanDerWaalsContact C-N 3.33Å; I479-I481 PolarHBondContact O-N 3.5Å; I481-W483 VanDerWaalsContact C-N 3.33Å; I481-W483 PolarHBondContact O-N 3.29Å; I481-A484 WeakPolarHBondContact O-CB 3.31Å; I481-A484 PolarHBondContact O-N 3.21Å; I481-A484 VanDerWaalsContact O-N 3.09Å; I481-Y485 HydrophobicContact CG2-CD2 3.66Å; I481-Y485 HydrophobicContact CG2-CE2 3.73Å; I481-Y485 WeakPolarHBondContact O-CD2 3.28Å; I481-Y485 PolarHBondContact O-N 3.43Å
482	E	82.2	Confident	83.1	Confident	25 Å²	25	43.7 Å²	43.7	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-37.9	-178.8	-67.8	169.9	177.5	0	0	113.1	V398 R400 Q478 I479 G486	V398-E482 WeakPolarHBondContact O-CG 3.37Å; R400-E482 HydrophobicContact CG-CB 4Å; R400-E482 IonicContact CZ-OE2 3.98Å; R400-E482 PolarHBondContact N-O 3.28Å; R400-E482 VanDerWaalsContact N-O 3.12Å; R400-E482 IonicContact NE-OE2 2.98Å; R400-E482 PolarHBondContact NE-OE2 3.38Å; R400-E482 IonicContact NH2-OE2 2.66Å; R400-E482 PolarHBondContact NH2-OE2 2.93Å; Q478-E482 PolarHBondContact NE2-OE1 2.9Å; Q478-E482 VanDerWaalsContact O-CG 3.31Å; Q478-E482 WeakPolarHBondContact O-CG 3.3Å; Q478-E482 PolarHBondContact O-N 3.27Å; I479-E482 PolarHBondContact O-N 2.94Å; E482-G486 PolarHBondContact O-N 3.3Å
483	W	85.8	Confident	82.8	Confident	79 Å²	79	41.4 Å²	41.4	30%	0.299	21%	0.212	S	C	.	.	H	α-helix	trans	-72.6	-37.7	172	-76.6	110.8	0	0	0	112.4	R400 I402 Y474 I479 I481 G486 F487	R400-W483 HydrophobicContact CB-CD2 4.24Å; R400-W483 HydrophobicContact CB-CE3 4.19Å; R400-W483 HydrophobicContact CB-CZ3 4.43Å; I402-W483 HydrophobicContact CD1-CE3 3.7Å; I402-W483 HydrophobicContact CD1-CZ3 4.25Å; I402-W483 WeakPolarHBondContact CD1-O 3.31Å; I402-W483 HydrophobicContact CG1-CE3 3.51Å; I402-W483 HydrophobicContact CG1-CZ3 3.56Å; Y474-W483 AromaticContact CD1-CD1 3.82Å; Y474-W483 HydrophobicContact CD1-CG 4.48Å; Y474-W483 HydrophobicContact CE1-CB 4.23Å; Y474-W483 AromaticContact CE1-CD1 3.36Å; Y474-W483 HydrophobicContact CE1-CD2 4.36Å; Y474-W483 AromaticContact CE1-CG 3.76Å; Y474-W483 HydrophobicContact CE1-CG 3.76Å; Y474-W483 AromaticContact CE1-NE1 3.78Å; Y474-W483 HydrophobicContact CE2-CB 3.95Å; Y474-W483 HydrophobicContact CE2-CG 4.35Å; Y474-W483 AromaticContact CZ-CD1 3.79Å; Y474-W483 AromaticContact CZ-CG 3.68Å; I479-W483 VanDerWaalsContact CG2-CD1 3.49Å; I479-W483 PolarHBondContact O-N 3.33Å; I481-W483 VanDerWaalsContact C-N 3.33Å; I481-W483 PolarHBondContact O-N 3.29Å; W483-G486 PolarHBondContact O-N 3.19Å; W483-F487 VanDerWaalsContact O-CB 3.29Å; W483-F487 WeakPolarHBondContact O-CB 3.47Å; W483-F487 PolarHBondContact O-N 3.03Å
484	A	85.6	Confident	82.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-42.8	176	0	0	0	0	0	111.9	F388 L389 F470 R480 I481 F487 Y488	F388-A484 HydrophobicContact CD2-CB 3.71Å; F388-A484 HydrophobicContact CE2-CB 4.05Å; L389-A484 HydrophobicContact CD2-CB 3.96Å; F470-A484 HydrophobicContact CD1-CB 4.25Å; F470-A484 HydrophobicContact CE1-CB 4.2Å; R480-A484 WeakPolarHBondContact O-CB 3.21Å; R480-A484 PolarHBondContact O-N 3.03Å; I481-A484 WeakPolarHBondContact O-CB 3.31Å; I481-A484 PolarHBondContact O-N 3.21Å; I481-A484 VanDerWaalsContact O-N 3.09Å; A484-F487 PolarHBondContact O-N 3.03Å; A484-Y488 WeakPolarHBondContact O-CB 3.27Å; A484-Y488 PolarHBondContact O-N 2.86Å
485	Y	84.4	Confident	81.9	Confident	17 Å²	17	41.9 Å²	41.9	7%	0.067	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-47.9	173.8	-90.7	-102.9	0	0	0	111.4	L374 N375 I378 L389 T391 T397 I481 F487 Y488 E489	L374-Y485 HydrophobicContact CD2-CD1 3.49Å; L374-Y485 VanDerWaalsContact CD2-CD1 3.49Å; L374-Y485 HydrophobicContact CD2-CE1 4.24Å; L374-Y485 HydrophobicContact CD2-CG 4.23Å; L374-Y485 WeakPolarHBondContact CD2-O 3.48Å; L374-Y485 HydrophobicContact CG-CD1 4.28Å; N375-Y485 WeakPolarHBondContact OD1-CE1 3.48Å; I378-Y485 HydrophobicContact CD1-CE1 3.81Å; L389-Y485 HydrophobicContact CB-CE2 4.19Å; L389-Y485 HydrophobicContact CD2-CD2 3.72Å; L389-Y485 HydrophobicContact CD2-CE2 3.96Å; L389-Y485 HydrophobicContact CD2-CG 4.2Å; L389-Y485 WeakPolarHBondContact O-CE2 3.41Å; T391-Y485 HydrophobicContact CG2-CE2 4.46Å; T397-Y485 HydrophobicContact CG2-CE2 4.33Å; T397-Y485 WeakPolarHBondContact OG1-CE1 3.32Å; I481-Y485 HydrophobicContact CG2-CD2 3.66Å; I481-Y485 HydrophobicContact CG2-CE2 3.73Å; I481-Y485 WeakPolarHBondContact O-CD2 3.28Å; I481-Y485 PolarHBondContact O-N 3.43Å; Y485-F487 PolarHBondContact O-N 3.37Å; Y485-Y488 PolarHBondContact O-N 2.7Å; Y485-E489 VanDerWaalsContact O-CB 3.3Å; Y485-E489 WeakPolarHBondContact O-CB 3.33Å; Y485-E489 PolarHBondContact O-N 2.95Å
486	G	83.6	Confident	81.7	Confident	4 Å²	4	44 Å²	44	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-57.8	-36.8	174.9	0	0	0	0	0	113.5	R400 E482 W483 M490	R400-G486 VanDerWaalsContact O-CA 3.28Å; R400-G486 WeakPolarHBondContact O-CA 3.43Å; E482-G486 PolarHBondContact O-N 3.3Å; W483-G486 PolarHBondContact O-N 3.19Å; G486-M490 PolarHBondContact O-N 3.27Å
487	F	87.7	Confident	81.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.2	-47.3	176.9	177.5	-110.5	0	0	0	111.4	I402 C407 L410 I414 F470 W483 A484 Y485 M490 L491 L503	I402-F487 HydrophobicContact CD1-CB 3.69Å; C407-F487 HydrophobicContact CB-CD2 4.46Å; C407-F487 HydrophobicContact CB-CE2 4.48Å; C407-F487 WeakPolarHBondContact SG-CE2 3.48Å; L410-F487 HydrophobicContact CB-CE2 4.19Å; L410-F487 HydrophobicContact CD2-CB 4.48Å; L410-F487 HydrophobicContact CD2-CD2 3.64Å; L410-F487 HydrophobicContact CD2-CE2 3.91Å; L410-F487 HydrophobicContact CD2-CG 3.99Å; L410-F487 HydrophobicContact CD2-CZ 4.48Å; L410-F487 HydrophobicContact CG-CD2 4.44Å; L410-F487 HydrophobicContact CG-CE2 4.22Å; I414-F487 HydrophobicContact CD1-CE1 4.03Å; I414-F487 HydrophobicContact CD1-CZ 3.85Å; F470-F487 HydrophobicContact CE2-CD1 4.42Å; F470-F487 HydrophobicContact CZ-CB 4.45Å; F470-F487 AromaticContact CZ-CD1 3.8Å; F470-F487 HydrophobicContact CZ-CD1 3.8Å; F470-F487 HydrophobicContact CZ-CE1 4.33Å; F470-F487 HydrophobicContact CZ-CG 4.25Å; W483-F487 VanDerWaalsContact O-CB 3.29Å; W483-F487 WeakPolarHBondContact O-CB 3.47Å; W483-F487 PolarHBondContact O-N 3.03Å; A484-F487 PolarHBondContact O-N 3.03Å; Y485-F487 PolarHBondContact O-N 3.37Å; F487-M490 WeakPolarHBondContact O-CB 3.49Å; F487-M490 PolarHBondContact O-N 3.48Å; F487-L491 HydrophobicContact CD1-CD1 4.04Å; F487-L491 HydrophobicContact CE1-CD1 3.6Å; F487-L491 HydrophobicContact CE1-CG 4.23Å; F487-L491 HydrophobicContact CE2-CD2 4.5Å; F487-L491 HydrophobicContact CZ-CD1 4Å; F487-L491 HydrophobicContact CZ-CD2 4.23Å; F487-L491 HydrophobicContact CZ-CG 4.26Å; F487-L491 WeakPolarHBondContact O-CG 3.44Å; F487-L491 PolarHBondContact O-N 3.48Å; F487-L503 HydrophobicContact CE1-CD2 3.96Å; F487-L503 HydrophobicContact CZ-CD2 3.58Å
488	Y	86.4	Confident	81.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.5	-37.3	179.9	-167.6	-116.3	0	0	0	112.3	L374 I378 L382 F388 L389 A484 Y485 M490 L491 I492 I507 E508	L374-Y488 HydrophobicContact CD1-CD1 3.98Å; L374-Y488 HydrophobicContact CD1-CE1 4.38Å; L374-Y488 HydrophobicContact CD2-CD1 4.42Å; I378-Y488 HydrophobicContact CG1-CE1 4.37Å; L382-Y488 HydrophobicContact CD1-CE1 3.97Å; L382-Y488 WeakPolarHBondContact CD1-OH 3.37Å; F388-Y488 HydrophobicContact CZ-CD2 4.18Å; F388-Y488 HydrophobicContact CZ-CG 4.48Å; L389-Y488 HydrophobicContact CD1-CD1 3.59Å; L389-Y488 HydrophobicContact CD1-CD2 4.41Å; L389-Y488 HydrophobicContact CD1-CE1 4.09Å; L389-Y488 HydrophobicContact CD1-CG 3.79Å; A484-Y488 WeakPolarHBondContact O-CB 3.27Å; A484-Y488 PolarHBondContact O-N 2.86Å; Y485-Y488 PolarHBondContact O-N 2.7Å; Y488-M490 VanDerWaalsContact C-N 3.28Å; Y488-M490 PolarHBondContact O-N 3.18Å; Y488-L491 HydrophobicContact CD2-CD1 4.16Å; Y488-L491 WeakPolarHBondContact O-CB 3.34Å; Y488-L491 PolarHBondContact O-N 3.45Å; Y488-I492 HydrophobicContact CD1-CD1 3.79Å; Y488-I492 HydrophobicContact CE1-CD1 3.55Å; Y488-I492 HydrophobicContact CE1-CG1 4.38Å; Y488-I492 HydrophobicContact CG-CD1 4.48Å; Y488-I492 WeakPolarHBondContact O-CG1 3.44Å; Y488-I492 PolarHBondContact O-N 2.9Å; Y488-I492 VanDerWaalsContact O-N 3.11Å; Y488-I507 HydrophobicContact CD2-CG2 4.47Å; Y488-I507 HydrophobicContact CE2-CG2 3.96Å; Y488-E508 PolarHBondContact OH-OE1 3.37Å; Y488-E508 VanDerWaalsContact OH-OE1 3.06Å
489	E	83.3	Confident	81.5	Confident	32 Å²	32	35.5 Å²	35.5	15%	0.15	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-42	172.5	-164.2	178.8	149.2	0	0	111.4	F372 L374 S399 Y485 I492 K493	F372-E489 HydrophobicContact CD1-CG 4.09Å; F372-E489 HydrophobicContact CE1-CG 4Å; L374-E489 HydrophobicContact CD2-CB 3.91Å; L374-E489 HydrophobicContact CD2-CG 4.49Å; S399-E489 WeakPolarHBondContact CB-OE2 3.42Å; S399-E489 PolarHBondContact OG-OE2 2.9Å; Y485-E489 VanDerWaalsContact O-CB 3.3Å; Y485-E489 WeakPolarHBondContact O-CB 3.33Å; Y485-E489 PolarHBondContact O-N 2.95Å; E489-I492 PolarHBondContact O-N 2.96Å; E489-K493 HydrophobicContact CG-CD 4.34Å; E489-K493 WeakPolarHBondContact O-CG 3.45Å; E489-K493 PolarHBondContact O-N 3.37Å; E489-K493 WeakPolarHBondContact OE1-CE 3.33Å; E489-K493 IonicContact OE1-NZ 2.81Å; E489-K493 PolarHBondContact OE1-NZ 3.26Å
490	M	83	Confident	81.6	Confident	28 Å²	28	32.6 Å²	32.6	14%	0.138	16%	0.156	C	C	.	.	H	α-helix	trans	-66.8	-39.7	176.6	-162.9	64.8	163.4	0	0	112.2	L404 C407 G486 F487 Y488 I492 K493 E494	L404-M490 HydrophobicContact CB-CE 3.73Å; L404-M490 HydrophobicContact CD1-CE 4.42Å; C407-M490 HydrophobicContact CB-CG 4.09Å; G486-M490 PolarHBondContact O-N 3.27Å; F487-M490 WeakPolarHBondContact O-CB 3.49Å; F487-M490 PolarHBondContact O-N 3.48Å; Y488-M490 VanDerWaalsContact C-N 3.28Å; Y488-M490 PolarHBondContact O-N 3.18Å; M490-I492 PolarHBondContact O-N 2.69Å; M490-K493 PolarHBondContact O-N 2.92Å; M490-E494 HydrophobicContact CE-CG 3.8Å; M490-E494 HydrophobicContact CG-CG 4.12Å; M490-E494 WeakPolarHBondContact O-CB 3.49Å; M490-E494 PolarHBondContact O-N 3.48Å; M490-E494 HydrophobicContact SD-CG 3.92Å
491	L	84.9	Confident	81.6	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-31.3	174.5	-69.9	179.6	0	0	0	112.5	F487 Y488 L500 L503 R504 I507	F487-L491 HydrophobicContact CD1-CD1 4.04Å; F487-L491 HydrophobicContact CE1-CD1 3.6Å; F487-L491 HydrophobicContact CE1-CG 4.23Å; F487-L491 HydrophobicContact CE2-CD2 4.5Å; F487-L491 HydrophobicContact CZ-CD1 4Å; F487-L491 HydrophobicContact CZ-CD2 4.23Å; F487-L491 HydrophobicContact CZ-CG 4.26Å; F487-L491 WeakPolarHBondContact O-CG 3.44Å; F487-L491 PolarHBondContact O-N 3.48Å; Y488-L491 HydrophobicContact CD2-CD1 4.16Å; Y488-L491 WeakPolarHBondContact O-CB 3.34Å; Y488-L491 PolarHBondContact O-N 3.45Å; L491-L500 HydrophobicContact CD2-CB 3.78Å; L491-L500 HydrophobicContact CD2-CD2 3.8Å; L491-L500 HydrophobicContact CD2-CG 4.27Å; L491-L503 HydrophobicContact CD1-CD2 4.26Å; L491-L503 HydrophobicContact CD1-CG 4.43Å; L491-L503 HydrophobicContact CD2-CD2 4.37Å; L491-R504 HydrophobicContact CB-CB 4.33Å; L491-R504 WeakPolarHBondContact O-CD 3.4Å; L491-I507 HydrophobicContact CD1-CD1 3.82Å
492	I	82.8	Confident	81.7	Confident	21 Å²	21	34 Å²	34	11%	0.108	17%	0.165	C	C	.	.	H	α-helix	trans	-80.8	-42.8	177.4	-64.4	158.2	0	0	0	111.2	F372 L374 Y377 Y488 E489 M490	F372-I492 HydrophobicContact CE1-CG2 4.4Å; F372-I492 HydrophobicContact CE2-CG2 4.22Å; F372-I492 HydrophobicContact CZ-CB 4.36Å; F372-I492 HydrophobicContact CZ-CD1 4.36Å; F372-I492 HydrophobicContact CZ-CG2 3.64Å; L374-I492 HydrophobicContact CD1-CD1 3.32Å; Y377-I492 HydrophobicContact CD1-CD1 3.44Å; Y377-I492 VanDerWaalsContact CD1-CD1 3.44Å; Y377-I492 HydrophobicContact CD1-CG1 4.37Å; Y377-I492 HydrophobicContact CE1-CD1 3.49Å; Y377-I492 VanDerWaalsContact CE1-CD1 3.49Å; Y377-I492 HydrophobicContact CE1-CG1 3.97Å; Y377-I492 HydrophobicContact CG-CD1 4.32Å; Y488-I492 HydrophobicContact CD1-CD1 3.79Å; Y488-I492 HydrophobicContact CE1-CD1 3.55Å; Y488-I492 HydrophobicContact CE1-CG1 4.38Å; Y488-I492 HydrophobicContact CG-CD1 4.48Å; Y488-I492 WeakPolarHBondContact O-CG1 3.44Å; Y488-I492 PolarHBondContact O-N 2.9Å; Y488-I492 VanDerWaalsContact O-N 3.11Å; E489-I492 PolarHBondContact O-N 2.96Å; M490-I492 PolarHBondContact O-N 2.69Å
493	K	81.6	Confident	82	Confident	114 Å²	114	32.8 Å²	32.8	50%	0.496	16%	0.159	S	C	.	.	H	α-helix	trans	-66.6	-38.4	-179.7	-73.8	179.8	-178.8	175.3	0	112.6	E489 M490 T495	E489-K493 HydrophobicContact CG-CD 4.34Å; E489-K493 WeakPolarHBondContact O-CG 3.45Å; E489-K493 PolarHBondContact O-N 3.37Å; E489-K493 WeakPolarHBondContact OE1-CE 3.33Å; E489-K493 IonicContact OE1-NZ 2.81Å; E489-K493 PolarHBondContact OE1-NZ 3.26Å; M490-K493 PolarHBondContact O-N 2.92Å; K493-T495 PolarHBondContact O-N 2.98Å
494	E	77.6	Confident	82.1	Confident	53 Å²	53	30.9 Å²	30.9	25%	0.248	15%	0.152	C	C	.	.			trans	-93.5	86.7	-173.8	-68.9	-71.5	170.7	0	0	112.2	L404 M490 L500	L404-E494 HydrophobicContact CD1-CG 4.02Å; M490-E494 HydrophobicContact CE-CG 3.8Å; M490-E494 HydrophobicContact CG-CG 4.12Å; M490-E494 WeakPolarHBondContact O-CB 3.49Å; M490-E494 PolarHBondContact O-N 3.48Å; M490-E494 HydrophobicContact SD-CG 3.92Å; E494-L500 HydrophobicContact CB-CD1 3.98Å
495	T	72	Confident	82.1	Confident	85 Å²	85	32.8 Å²	32.8	52%	0.521	16%	0.161	S	C	.	.			trans	-83.3	-18.7	179.6	52.6	0	0	0	0	114.1	K493	K493-T495 PolarHBondContact O-N 2.98Å
496	N	69.8	Low	82.2	Confident	116 Å²	116	32.2 Å²	32.2	62%	0.62	16%	0.159	S	C	*	.	S	Bend	trans	-76.5	-26.7	-173.2	-68.4	-35.3	0	0	0	113.4	S570 Q571	N496-S570 VanDerWaalsContact O-CA 3.24Å; N496-S570 WeakPolarHBondContact O-CA 3.31Å; N496-Q571 PolarHBondContact O-N 3.17Å; N496-Q571 VanDerWaalsContact O-N 3.08Å
497	N	74.7	Confident	82.3	Confident	11 Å²	11	32.4 Å²	32.4	6%	0.059	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-88.7	117.8	-174.3	-166.2	-64.6	0	0	0	111.4	L408 K499 L500 N501 F569	L408-N497 WeakPolarHBondContact CD2-ND2 3.32Å; N497-K499 VanDerWaalsContact C-N 3.32Å; N497-K499 PolarHBondContact O-N 2.93Å; N497-K499 WeakPolarHBondContact OD1-CB 3.44Å; N497-K499 PolarHBondContact OD1-N 2.87Å; N497-K499 VanDerWaalsContact OD1-N 3.08Å; N497-L500 HydrophobicContact CB-CB 4.18Å; N497-L500 HydrophobicContact CB-CD1 4.02Å; N497-L500 HydrophobicContact CB-CG 3.98Å; N497-L500 PolarHBondContact O-N 3.49Å; N497-L500 PolarHBondContact OD1-N 3Å; N497-N501 WeakPolarHBondContact O-CB 3.36Å; N497-N501 PolarHBondContact O-N 2.93Å; N497-F569 VanDerWaalsContact CA-O 3.26Å; N497-F569 WeakPolarHBondContact CA-O 3.45Å; N497-F569 PolarHBondContact ND2-O 3.5Å; N497-F569 PolarHBondContact OD1-O 2.84Å
498	Y	78.1	Confident	82.1	Confident	21 Å²	21	32.8 Å²	32.8	8%	0.082	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-35.9	-174.6	88.1	-91	0	0	0	112.3	L500 N501 E502 L519 I568 F569 L574	Y498-L500 VanDerWaalsContact C-N 3.34Å; Y498-L500 PolarHBondContact O-N 2.68Å; Y498-N501 PolarHBondContact O-N 3.48Å; Y498-E502 WeakPolarHBondContact O-CB 3.5Å; Y498-E502 PolarHBondContact O-N 3.38Å; Y498-L519 HydrophobicContact CD2-CD2 4.35Å; Y498-L519 HydrophobicContact CE2-CD2 3.96Å; Y498-I568 HydrophobicContact CD1-CG2 3.82Å; Y498-I568 HydrophobicContact CE1-CB 3.87Å; Y498-I568 HydrophobicContact CE1-CG2 3.4Å; Y498-I568 VanDerWaalsContact CE1-CG2 3.4Å; Y498-I568 VanDerWaalsContact CE1-O 3.29Å; Y498-I568 WeakPolarHBondContact CE1-O 3.5Å; Y498-F569 PolarHBondContact N-O 3.32Å; Y498-L574 HydrophobicContact CD2-CD2 4.42Å; Y498-L574 HydrophobicContact CG-CD2 4.5Å
499	K	81.9	Confident	82	Confident	56 Å²	56	38.6 Å²	38.6	24%	0.243	19%	0.192	C	C	.	.	H	α-helix	trans	-66	-39	-178.5	-62.2	176	-179	164.7	0	111.2	N497 L503 L566 I568	N497-K499 VanDerWaalsContact C-N 3.32Å; N497-K499 PolarHBondContact O-N 2.93Å; N497-K499 WeakPolarHBondContact OD1-CB 3.44Å; N497-K499 PolarHBondContact OD1-N 2.87Å; N497-K499 VanDerWaalsContact OD1-N 3.08Å; K499-L503 PolarHBondContact O-N 3.08Å; K499-L503 VanDerWaalsContact O-N 3.15Å; K499-L566 PolarHBondContact NZ-O 3.36Å; K499-I568 WeakPolarHBondContact CE-O 3.47Å; K499-I568 PolarHBondContact NZ-O 3.34Å
500	L	84.2	Confident	82.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71.3	-44.5	176.6	-61	-173.6	0	0	0	111	L404 L408 T411 L491 E494 N497 Y498 E502 L503 R504	L404-L500 HydrophobicContact CD1-CD1 3.68Å; L408-L500 HydrophobicContact CD2-CD1 4.33Å; L408-L500 HydrophobicContact CD2-CD2 3.83Å; L408-L500 HydrophobicContact CD2-CG 3.91Å; L408-L500 HydrophobicContact CG-CD2 4.49Å; T411-L500 HydrophobicContact CG2-CD2 4.35Å; T411-L500 VanDerWaalsContact OG1-CD2 3.29Å; T411-L500 WeakPolarHBondContact OG1-CD2 3.49Å; L491-L500 HydrophobicContact CD2-CB 3.78Å; L491-L500 HydrophobicContact CD2-CD2 3.8Å; L491-L500 HydrophobicContact CD2-CG 4.27Å; E494-L500 HydrophobicContact CB-CD1 3.98Å; N497-L500 HydrophobicContact CB-CB 4.18Å; N497-L500 HydrophobicContact CB-CD1 4.02Å; N497-L500 HydrophobicContact CB-CG 3.98Å; N497-L500 PolarHBondContact O-N 3.49Å; N497-L500 PolarHBondContact OD1-N 3Å; Y498-L500 VanDerWaalsContact C-N 3.34Å; Y498-L500 PolarHBondContact O-N 2.68Å; L500-E502 VanDerWaalsContact C-N 3.33Å; L500-E502 PolarHBondContact O-N 2.92Å; L500-L503 PolarHBondContact O-N 3.13Å; L500-R504 WeakPolarHBondContact O-CB 3.41Å; L500-R504 PolarHBondContact O-N 3.3Å
501	N	83.5	Confident	82	Confident	32 Å²	32	44 Å²	44	17%	0.171	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-40.8	177.7	-168.6	23.7	0	0	0	111.7	N497 Y498 R504 M505 Q571	N497-N501 WeakPolarHBondContact O-CB 3.36Å; N497-N501 PolarHBondContact O-N 2.93Å; Y498-N501 PolarHBondContact O-N 3.48Å; N501-R504 WeakPolarHBondContact O-CB 3.49Å; N501-R504 PolarHBondContact O-N 2.85Å; N501-M505 VanDerWaalsContact O-CG 3.28Å; N501-M505 WeakPolarHBondContact O-CG 3.34Å; N501-M505 PolarHBondContact O-N 3.18Å; N501-Q571 PolarHBondContact ND2-NE2 3.42Å
502	E	83.8	Confident	82	Confident	18 Å²	18	49.7 Å²	49.7	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-51	174.7	-171	-170.2	166.3	0	0	111.5	Y498 L500 R504 M505 I506 M511 H516	Y498-E502 WeakPolarHBondContact O-CB 3.5Å; Y498-E502 PolarHBondContact O-N 3.38Å; L500-E502 VanDerWaalsContact C-N 3.33Å; L500-E502 PolarHBondContact O-N 2.92Å; E502-R504 VanDerWaalsContact C-N 3.33Å; E502-R504 PolarHBondContact O-N 3.4Å; E502-M505 PolarHBondContact O-N 3.42Å; E502-I506 HydrophobicContact CG-CD1 4.45Å; E502-I506 WeakPolarHBondContact O-CG1 3.34Å; E502-I506 PolarHBondContact O-N 3.19Å; E502-I506 VanDerWaalsContact O-N 3.1Å; E502-M511 HydrophobicContact CB-CE 4.34Å; E502-M511 HydrophobicContact CG-CE 3.31Å; E502-H516 WeakPolarHBondContact OE1-CA 3.03Å; E502-H516 WeakPolarHBondContact OE1-CB 3.06Å; E502-H516 IonicContact OE1-CE1 2.72Å; E502-H516 IonicContact OE1-CG 3.73Å; E502-H516 VanDerWaalsContact OE1-CG 3.27Å; E502-H516 IonicContact OE1-ND1 3.8Å; E502-H516 PolarHBondContact OE1-ND1 3.48Å; E502-H516 IonicContact OE2-ND1 3.48Å
503	L	88.3	Confident	82.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.6	-43	176.1	177.2	62.8	0	0	0	111.6	T411 I414 W415 F462 F487 L491 K499 L500 M505 I506 I507	T411-L503 HydrophobicContact CG2-CB 4.39Å; T411-L503 HydrophobicContact CG2-CD2 3.84Å; I414-L503 HydrophobicContact CD1-CD2 4.22Å; W415-L503 HydrophobicContact CH2-CD1 4.46Å; W415-L503 HydrophobicContact CZ2-CB 4.46Å; W415-L503 HydrophobicContact CZ2-CD1 3.75Å; F462-L503 HydrophobicContact CE1-CD1 3.95Å; F462-L503 HydrophobicContact CZ-CD1 3.58Å; F487-L503 HydrophobicContact CE1-CD2 3.96Å; F487-L503 HydrophobicContact CZ-CD2 3.58Å; L491-L503 HydrophobicContact CD1-CD2 4.26Å; L491-L503 HydrophobicContact CD1-CG 4.43Å; L491-L503 HydrophobicContact CD2-CD2 4.37Å; K499-L503 PolarHBondContact O-N 3.08Å; K499-L503 VanDerWaalsContact O-N 3.15Å; L500-L503 PolarHBondContact O-N 3.13Å; L503-M505 PolarHBondContact O-N 2.94Å; L503-I506 PolarHBondContact O-N 2.66Å; L503-I507 HydrophobicContact CD1-CD1 4.03Å; L503-I507 HydrophobicContact CD1-CG1 4.2Å; L503-I507 HydrophobicContact CD2-CD1 4.39Å; L503-I507 HydrophobicContact CG-CD1 3.83Å; L503-I507 HydrophobicContact CG-CG1 4.4Å; L503-I507 WeakPolarHBondContact O-CG1 3.49Å; L503-I507 PolarHBondContact O-N 3.42Å
504	R	86.9	Confident	82.2	Confident	39 Å²	39	51.7 Å²	51.7	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-57.7	-49.4	176.2	-179.9	-177	163.3	-122	-1.9	111.1	Y377 L491 L500 N501 E502 I506 I507 E508	Y377-R504 PolarHBondContact OH-NH2 2.97Å; L491-R504 HydrophobicContact CB-CB 4.33Å; L491-R504 WeakPolarHBondContact O-CD 3.4Å; L500-R504 WeakPolarHBondContact O-CB 3.41Å; L500-R504 PolarHBondContact O-N 3.3Å; N501-R504 WeakPolarHBondContact O-CB 3.49Å; N501-R504 PolarHBondContact O-N 2.85Å; E502-R504 VanDerWaalsContact C-N 3.33Å; E502-R504 PolarHBondContact O-N 3.4Å; R504-I506 VanDerWaalsContact C-N 3.26Å; R504-I506 PolarHBondContact O-N 2.98Å; R504-I507 PolarHBondContact O-N 2.92Å; R504-E508 HydrophobicContact CG-CG 4.29Å; R504-E508 WeakPolarHBondContact CG-OE1 3.43Å; R504-E508 IonicContact CZ-OE1 3.73Å; R504-E508 VanDerWaalsContact CZ-OE1 3.27Å; R504-E508 IonicContact CZ-OE2 2.8Å; R504-E508 IonicContact NE-OE1 3.43Å; R504-E508 PolarHBondContact NE-OE1 2.99Å; R504-E508 IonicContact NE-OE2 3.92Å; R504-E508 IonicContact NH2-OE1 3.9Å; R504-E508 PolarHBondContact NH2-OE1 3.46Å; R504-E508 IonicContact NH2-OE2 3.48Å; R504-E508 PolarHBondContact NH2-OE2 3.06Å; R504-E508 WeakPolarHBondContact O-CB 3.48Å; R504-E508 VanDerWaalsContact O-CG 3.28Å; R504-E508 WeakPolarHBondContact O-CG 3.24Å; R504-E508 PolarHBondContact O-N 3.45Å
505	M	85.2	Confident	82.4	Confident	39 Å²	39	52 Å²	52	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-34	179.2	-67.8	-62.8	93.6	0	0	112.6	N501 E502 L503 E508 N509 K510 M511	N501-M505 VanDerWaalsContact O-CG 3.28Å; N501-M505 WeakPolarHBondContact O-CG 3.34Å; N501-M505 PolarHBondContact O-N 3.18Å; E502-M505 PolarHBondContact O-N 3.42Å; L503-M505 PolarHBondContact O-N 2.94Å; M505-E508 VanDerWaalsContact CE-OE2 3.23Å; M505-E508 WeakPolarHBondContact CE-OE2 3.34Å; M505-N509 PolarHBondContact O-N 3.35Å; M505-K510 HydrophobicContact CB-CB 4.35Å; M505-K510 HydrophobicContact CE-CD 3.86Å; M505-K510 WeakPolarHBondContact O-CA 3.23Å; M505-K510 PolarHBondContact O-N 3.12Å; M505-K510 HydrophobicContact SD-CB 3.93Å; M505-K510 HydrophobicContact SD-CD 3.65Å; M505-K510 HydrophobicContact SD-CG 4.44Å; M505-M511 HydrophobicContact CB-CB 3.83Å; M505-M511 PolarHBondContact O-N 2.89Å; M505-M511 VanDerWaalsContact O-N 3.07Å
506	I	86.4	Confident	83	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-71.1	-43.7	174.9	-63.6	168.5	0	0	0	111.2	W415 F462 E502 L503 R504 E508 N509 M511 E513 H516	W415-I506 HydrophobicContact CH2-CD1 3.46Å; W415-I506 VanDerWaalsContact CH2-CD1 3.46Å; W415-I506 HydrophobicContact CZ2-CD1 3.71Å; F462-I506 HydrophobicContact CD1-CG2 3.59Å; F462-I506 HydrophobicContact CE1-CG2 3.76Å; F462-I506 HydrophobicContact CG-CG2 3.99Å; F462-I506 HydrophobicContact CZ-CG2 4.29Å; E502-I506 HydrophobicContact CG-CD1 4.45Å; E502-I506 WeakPolarHBondContact O-CG1 3.34Å; E502-I506 PolarHBondContact O-N 3.19Å; E502-I506 VanDerWaalsContact O-N 3.1Å; L503-I506 PolarHBondContact O-N 2.66Å; R504-I506 VanDerWaalsContact C-N 3.26Å; R504-I506 PolarHBondContact O-N 2.98Å; I506-E508 VanDerWaalsContact C-N 3.28Å; I506-E508 PolarHBondContact O-N 2.97Å; I506-N509 PolarHBondContact O-N 3.17Å; I506-N509 VanDerWaalsContact O-N 3.09Å; I506-M511 WeakPolarHBondContact CA-O 3.41Å; I506-M511 HydrophobicContact CD1-CE 3.51Å; I506-M511 HydrophobicContact CG1-CB 4.23Å; I506-M511 HydrophobicContact CG1-CE 3.39Å; I506-E513 HydrophobicContact CG2-CB 4.5Å; I506-H516 HydrophobicContact CD1-CB 3.9Å
507	I	86	Confident	83.7	Confident	8 Å²	8	45 Å²	45	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-39.9	176.7	-69.9	170.1	0	0	0	111	F384 P386 F388 F462 L466 Y488 L491 L503 R504 N509	F384-I507 VanDerWaalsContact CZ-O 3.23Å; F384-I507 WeakPolarHBondContact CZ-O 3.41Å; P386-I507 HydrophobicContact CB-CG2 4.15Å; P386-I507 HydrophobicContact CG-CG2 3.77Å; F388-I507 HydrophobicContact CE1-CD1 4.4Å; F388-I507 HydrophobicContact CE1-CG2 3.85Å; F388-I507 HydrophobicContact CZ-CD1 4.36Å; F388-I507 HydrophobicContact CZ-CG2 4.35Å; F462-I507 HydrophobicContact CE1-CG1 4.02Å; L466-I507 HydrophobicContact CD2-CD1 3.78Å; L466-I507 HydrophobicContact CD2-CG1 3.82Å; Y488-I507 HydrophobicContact CD2-CG2 4.47Å; Y488-I507 HydrophobicContact CE2-CG2 3.96Å; L491-I507 HydrophobicContact CD1-CD1 3.82Å; L503-I507 HydrophobicContact CD1-CD1 4.03Å; L503-I507 HydrophobicContact CD1-CG1 4.2Å; L503-I507 HydrophobicContact CD2-CD1 4.39Å; L503-I507 HydrophobicContact CG-CD1 3.83Å; L503-I507 HydrophobicContact CG-CG1 4.4Å; L503-I507 WeakPolarHBondContact O-CG1 3.49Å; L503-I507 PolarHBondContact O-N 3.42Å; R504-I507 PolarHBondContact O-N 2.92Å; I507-N509 PolarHBondContact O-N 2.85Å
508	E	84.8	Confident	83.9	Confident	8 Å²	8	51 Å²	51	4%	0.037	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	4.6	178.9	-64	-177.6	-178.6	0	0	113.3	L382 Y488 R504 M505 I506 K510	L382-E508 HydrophobicContact CD2-CB 4.23Å; L382-E508 HydrophobicContact CD2-CG 3.83Å; Y488-E508 PolarHBondContact OH-OE1 3.37Å; Y488-E508 VanDerWaalsContact OH-OE1 3.06Å; R504-E508 HydrophobicContact CG-CG 4.29Å; R504-E508 WeakPolarHBondContact CG-OE1 3.43Å; R504-E508 IonicContact CZ-OE1 3.73Å; R504-E508 VanDerWaalsContact CZ-OE1 3.27Å; R504-E508 IonicContact CZ-OE2 2.8Å; R504-E508 IonicContact NE-OE1 3.43Å; R504-E508 PolarHBondContact NE-OE1 2.99Å; R504-E508 IonicContact NE-OE2 3.92Å; R504-E508 IonicContact NH2-OE1 3.9Å; R504-E508 PolarHBondContact NH2-OE1 3.46Å; R504-E508 IonicContact NH2-OE2 3.48Å; R504-E508 PolarHBondContact NH2-OE2 3.06Å; R504-E508 WeakPolarHBondContact O-CB 3.48Å; R504-E508 VanDerWaalsContact O-CG 3.28Å; R504-E508 WeakPolarHBondContact O-CG 3.24Å; R504-E508 PolarHBondContact O-N 3.45Å; M505-E508 VanDerWaalsContact CE-OE2 3.23Å; M505-E508 WeakPolarHBondContact CE-OE2 3.34Å; I506-E508 VanDerWaalsContact C-N 3.28Å; I506-E508 PolarHBondContact O-N 2.97Å; E508-K510 HydrophobicContact CB-CD 4.13Å; E508-K510 HydrophobicContact CB-CG 4.1Å; E508-K510 PolarHBondContact O-N 3.35Å; E508-K510 VanDerWaalsContact O-N 3.15Å; E508-K510 WeakPolarHBondContact OE2-CD 3.43Å; E508-K510 VanDerWaalsContact OE2-CE 3.29Å; E508-K510 WeakPolarHBondContact OE2-CE 2.97Å; E508-K510 IonicContact OE2-NZ 2.65Å; E508-K510 PolarHBondContact OE2-NZ 3.43Å
509	N	83.4	Confident	83.7	Confident	122 Å²	122	51.9 Å²	51.9	65%	0.652	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	27.4	-173.2	-72.4	-33.4	0	0	0	113.6	F384 M505 I506 I507	F384-N509 HydrophobicContact CE1-CB 4.13Å; F384-N509 HydrophobicContact CZ-CB 4.11Å; F384-N509 WeakPolarHBondContact CZ-ND2 3.39Å; M505-N509 PolarHBondContact O-N 3.35Å; I506-N509 PolarHBondContact O-N 3.17Å; I506-N509 VanDerWaalsContact O-N 3.09Å; I507-N509 PolarHBondContact O-N 2.85Å
510	K	84.8	Confident	83.6	Confident	122 Å²	122	52.1 Å²	52.1	53%	0.53	26%	0.255	S	S	.	.	S	Bend	trans	-87.7	-19.3	173.6	-69.8	176.6	-179.8	163.7	0	112.4	M505 E508	M505-K510 HydrophobicContact CB-CB 4.35Å; M505-K510 HydrophobicContact CE-CD 3.86Å; M505-K510 WeakPolarHBondContact O-CA 3.23Å; M505-K510 PolarHBondContact O-N 3.12Å; M505-K510 HydrophobicContact SD-CB 3.93Å; M505-K510 HydrophobicContact SD-CD 3.65Å; M505-K510 HydrophobicContact SD-CG 4.44Å; E508-K510 HydrophobicContact CB-CD 4.13Å; E508-K510 HydrophobicContact CB-CG 4.1Å; E508-K510 PolarHBondContact O-N 3.35Å; E508-K510 VanDerWaalsContact O-N 3.15Å; E508-K510 WeakPolarHBondContact OE2-CD 3.43Å; E508-K510 VanDerWaalsContact OE2-CE 3.29Å; E508-K510 WeakPolarHBondContact OE2-CE 2.97Å; E508-K510 IonicContact OE2-NZ 2.65Å; E508-K510 PolarHBondContact OE2-NZ 3.43Å
511	M	81.6	Confident	83.3	Confident	51 Å²	51	55.6 Å²	55.6	25%	0.251	28%	0.279	S	S	.	.	S	Bend	trans	-138.2	137.8	178.4	-166.9	179.3	72	0	0	110.7	E502 M505 I506 C515	E502-M511 HydrophobicContact CB-CE 4.34Å; E502-M511 HydrophobicContact CG-CE 3.31Å; M505-M511 HydrophobicContact CB-CB 3.83Å; M505-M511 PolarHBondContact O-N 2.89Å; M505-M511 VanDerWaalsContact O-N 3.07Å; I506-M511 WeakPolarHBondContact CA-O 3.41Å; I506-M511 HydrophobicContact CD1-CE 3.51Å; I506-M511 HydrophobicContact CG1-CB 4.23Å; I506-M511 HydrophobicContact CG1-CE 3.39Å; M511-C515 HydrophobicContact CE-CB 4.13Å; M511-C515 HydrophobicContact CG-CB 3.71Å; M511-C515 HydrophobicContact SD-CB 3.78Å
512	D	84.6	Confident	82.6	Confident	123 Å²	123	58.6 Å²	58.6	66%	0.658	29%	0.289	S	S	*	.			trans	-70.8	145.1	176.3	-78.1	-38.7	0	0	0	111.9	E514 C515	D512-E514 PolarHBondContact O-N 3.26Å; D512-E514 VanDerWaalsContact O-N 3.13Å; D512-C515 VanDerWaalsContact O-CB 3.28Å; D512-C515 WeakPolarHBondContact O-CB 3.18Å; D512-C515 PolarHBondContact O-N 3.5Å
513	E	85.5	Confident	81.9	Confident	25 Å²	25	59.3 Å²	59.3	12%	0.117	29%	0.292	C	S	.	.	H	α-helix	trans	-57.9	-27.6	175.1	-162.9	-161	134	0	0	111.7	W415 R418 K422 F462 I506 C515 H516 W517	W415-E513 HydrophobicContact CH2-CG 4.4Å; W415-E513 HydrophobicContact CZ3-CG 4.11Å; R418-E513 IonicContact CZ-OE1 3.24Å; R418-E513 IonicContact CZ-OE2 3.08Å; R418-E513 IonicContact NE-OE1 3.1Å; R418-E513 PolarHBondContact NE-OE1 2.92Å; R418-E513 VanDerWaalsContact NE-OE1 3.13Å; R418-E513 IonicContact NE-OE2 2.71Å; R418-E513 PolarHBondContact NE-OE2 3.39Å; R418-E513 IonicContact NH2-OE1 3.82Å; R418-E513 IonicContact NH2-OE2 2.68Å; R418-E513 PolarHBondContact NH2-OE2 3.27Å; K422-E513 VanDerWaalsContact CE-OE1 3.3Å; K422-E513 WeakPolarHBondContact CE-OE1 3.41Å; K422-E513 IonicContact NZ-OE1 3.47Å; K422-E513 PolarHBondContact NZ-OE1 3.17Å; K422-E513 IonicContact NZ-OE2 2.68Å; F462-E513 HydrophobicContact CD2-CG 3.97Å; I506-E513 HydrophobicContact CG2-CB 4.5Å; E513-C515 VanDerWaalsContact C-N 3.26Å; E513-C515 PolarHBondContact O-N 2.89Å; E513-H516 WeakPolarHBondContact O-CB 3.25Å; E513-H516 PolarHBondContact O-N 3.43Å; E513-W517 PolarHBondContact OE1-NE1 3Å
514	E	83.8	Confident	81.2	Confident	152 Å²	152	63.6 Å²	63.6	71%	0.71	32%	0.315	S	S	*	.	H	α-helix	trans	-63.4	-30.3	176.9	-62.8	-167	162.2	0	0	112.9	D512 H516 W517 H518	D512-E514 PolarHBondContact O-N 3.26Å; D512-E514 VanDerWaalsContact O-N 3.13Å; E514-H516 VanDerWaalsContact C-N 3.28Å; E514-H516 PolarHBondContact O-N 3.2Å; E514-W517 PolarHBondContact O-N 3.44Å; E514-H518 WeakPolarHBondContact O-CB 3.38Å; E514-H518 PolarHBondContact O-N 2.91Å
515	C	80.6	Confident	80.3	Confident	58 Å²	58	67 Å²	67	39%	0.392	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-38	175.4	-64.1	0	0	0	0	111.5	M511 D512 E513 H518 L519	M511-C515 HydrophobicContact CE-CB 4.13Å; M511-C515 HydrophobicContact CG-CB 3.71Å; M511-C515 HydrophobicContact SD-CB 3.78Å; D512-C515 VanDerWaalsContact O-CB 3.28Å; D512-C515 WeakPolarHBondContact O-CB 3.18Å; D512-C515 PolarHBondContact O-N 3.5Å; E513-C515 VanDerWaalsContact C-N 3.26Å; E513-C515 PolarHBondContact O-N 2.89Å; C515-H518 PolarHBondContact O-N 3.31Å; C515-L519 WeakPolarHBondContact O-CB 3.47Å; C515-L519 PolarHBondContact O-N 3.34Å
516	H	84.2	Confident	79.2	Confident	18 Å²	18	65.8 Å²	65.8	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-49.6	175.8	174.7	71.7	0	0	0	112	W415 E502 I506 E513 E514 H518 L519 E520	W415-H516 AromaticContact CD1-CE1 3.81Å; W415-H516 AromaticContact CD2-CD2 3.59Å; W415-H516 AromaticContact CD2-CE1 3.5Å; W415-H516 VanDerWaalsContact CD2-CE1 3.5Å; W415-H516 AromaticContact CD2-ND1 4Å; W415-H516 AromaticContact CD2-NE2 3.21Å; W415-H516 AromaticContact CE2-CE1 3.58Å; W415-H516 AromaticContact CE2-CG 3.99Å; W415-H516 AromaticContact CE2-ND1 3.73Å; W415-H516 AromaticContact CE2-NE2 3.78Å; W415-H516 AromaticContact CE3-CD2 3.24Å; W415-H516 AromaticContact CE3-CG 3.91Å; W415-H516 AromaticContact CE3-NE2 3.33Å; W415-H516 VanDerWaalsContact CE3-NE2 3.33Å; W415-H516 AromaticContact CG-CE1 3.69Å; W415-H516 AromaticContact CG-NE2 3.5Å; W415-H516 HydrophobicContact CH2-CB 4Å; W415-H516 AromaticContact CH2-CD2 3.93Å; W415-H516 AromaticContact CH2-CG 3.78Å; W415-H516 HydrophobicContact CZ2-CB 4.34Å; W415-H516 AromaticContact CZ2-CG 3.87Å; W415-H516 AromaticContact CZ2-ND1 3.89Å; W415-H516 HydrophobicContact CZ3-CB 4.23Å; W415-H516 AromaticContact CZ3-CD2 3.44Å; W415-H516 VanDerWaalsContact CZ3-CD2 3.44Å; W415-H516 WeakPolarHBondContact CZ3-CD2 3.33Å; W415-H516 AromaticContact CZ3-CG 3.78Å; W415-H516 AromaticContact NE1-CE1 3.73Å; E502-H516 WeakPolarHBondContact OE1-CA 3.03Å; E502-H516 WeakPolarHBondContact OE1-CB 3.06Å; E502-H516 IonicContact OE1-CE1 2.72Å; E502-H516 IonicContact OE1-CG 3.73Å; E502-H516 VanDerWaalsContact OE1-CG 3.27Å; E502-H516 IonicContact OE1-ND1 3.8Å; E502-H516 PolarHBondContact OE1-ND1 3.48Å; E502-H516 IonicContact OE2-ND1 3.48Å; I506-H516 HydrophobicContact CD1-CB 3.9Å; E513-H516 WeakPolarHBondContact O-CB 3.25Å; E513-H516 PolarHBondContact O-N 3.43Å; E514-H516 VanDerWaalsContact C-N 3.28Å; E514-H516 PolarHBondContact O-N 3.2Å; H516-H518 VanDerWaalsContact C-N 3.26Å; H516-H518 PolarHBondContact O-N 3.11Å; H516-L519 PolarHBondContact O-N 2.9Å; H516-E520 WeakPolarHBondContact O-CB 3.36Å; H516-E520 PolarHBondContact O-N 3.42Å
517	W	84.9	Confident	78.3	Confident	37 Å²	37	69.1 Å²	69.1	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-65.5	-33.4	179.6	-60	109.2	0	0	0	112.1	W415 R418 K419 K422 E513 E514 E520 S521	W415-W517 HydrophobicContact CE3-CH2 4.29Å; W415-W517 HydrophobicContact CE3-CZ2 4.08Å; W415-W517 HydrophobicContact CZ3-CZ2 4.29Å; R418-W517 HydrophobicContact CB-CZ2 4.28Å; R418-W517 HydrophobicContact CG-CZ2 3.83Å; K419-W517 HydrophobicContact CB-CH2 3.65Å; K419-W517 HydrophobicContact CB-CZ3 3.94Å; K419-W517 HydrophobicContact CD-CZ3 4Å; K419-W517 HydrophobicContact CG-CH2 4.06Å; K419-W517 HydrophobicContact CG-CZ3 3.84Å; K422-W517 HydrophobicContact CD-CZ2 4.16Å; K422-W517 VanDerWaalsContact NZ-CD1 3.29Å; E513-W517 PolarHBondContact OE1-NE1 3Å; E514-W517 PolarHBondContact O-N 3.44Å; W517-E520 WeakPolarHBondContact CZ3-OE2 3.35Å; W517-S521 VanDerWaalsContact O-CB 3.26Å; W517-S521 WeakPolarHBondContact O-CB 3.34Å; W517-S521 PolarHBondContact O-N 2.93Å; W517-S521 PolarHBondContact O-OG 3.25Å
518	H	78.5	Confident	77.4	Confident	137 Å²	137	73.9 Å²	73.9	63%	0.634	36%	0.361	S	S	*	.	H	α-helix	trans	-65.4	-47.8	173.3	-172.3	67	0	0	0	111.2	E514 C515 H516 S521 W522	E514-H518 WeakPolarHBondContact O-CB 3.38Å; E514-H518 PolarHBondContact O-N 2.91Å; C515-H518 PolarHBondContact O-N 3.31Å; H516-H518 VanDerWaalsContact C-N 3.26Å; H516-H518 PolarHBondContact O-N 3.11Å; H518-S521 PolarHBondContact O-N 2.9Å; H518-W522 VanDerWaalsContact O-CB 3.29Å; H518-W522 WeakPolarHBondContact O-CB 3.31Å; H518-W522 PolarHBondContact O-N 2.91Å
519	L	74.2	Confident	76.4	Confident	39 Å²	39	77.8 Å²	77.8	20%	0.204	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-45.8	177.1	-177.9	65.1	0	0	0	111.7	Y498 C515 H516 S521 W522 I523	Y498-L519 HydrophobicContact CD2-CD2 4.35Å; Y498-L519 HydrophobicContact CE2-CD2 3.96Å; C515-L519 WeakPolarHBondContact O-CB 3.47Å; C515-L519 PolarHBondContact O-N 3.34Å; H516-L519 PolarHBondContact O-N 2.9Å; L519-S521 VanDerWaalsContact C-N 3.34Å; L519-S521 PolarHBondContact O-N 3.39Å; L519-W522 HydrophobicContact CD1-CE3 4.48Å; L519-W522 PolarHBondContact O-N 3.49Å; L519-I523 HydrophobicContact CD1-CD1 4.3Å; L519-I523 HydrophobicContact CD1-CG1 4.49Å; L519-I523 HydrophobicContact CG-CD1 4.03Å; L519-I523 VanDerWaalsContact O-CG1 3.31Å; L519-I523 WeakPolarHBondContact O-CG1 3.44Å; L519-I523 PolarHBondContact O-N 3.33Å
520	E	79.5	Confident	75.2	Confident	61 Å²	61	74.6 Å²	74.6	29%	0.285	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-44.4	177	-166.1	-164.8	-171.7	0	0	111.1	K419 H516 W517 W522 I523 L524	K419-E520 IonicContact NZ-OE1 2.78Å; K419-E520 PolarHBondContact NZ-OE1 3.07Å; K419-E520 IonicContact NZ-OE2 2.96Å; K419-E520 PolarHBondContact NZ-OE2 3.43Å; H516-E520 WeakPolarHBondContact O-CB 3.36Å; H516-E520 PolarHBondContact O-N 3.42Å; W517-E520 WeakPolarHBondContact CZ3-OE2 3.35Å; E520-W522 VanDerWaalsContact C-N 3.31Å; E520-W522 PolarHBondContact O-N 2.89Å; E520-I523 PolarHBondContact O-N 3.42Å; E520-L524 PolarHBondContact O-N 3.4Å
521	S	77.9	Confident	74.2	Confident	73 Å²	73	71.9 Å²	71.9	51%	0.51	35%	0.352	S	S	.	.	H	α-helix	trans	-64.5	-37.7	176.6	-59.3	0	0	0	0	111.7	W517 H518 L519 L524 F525	W517-S521 VanDerWaalsContact O-CB 3.26Å; W517-S521 WeakPolarHBondContact O-CB 3.34Å; W517-S521 PolarHBondContact O-N 2.93Å; W517-S521 PolarHBondContact O-OG 3.25Å; H518-S521 PolarHBondContact O-N 2.9Å; L519-S521 VanDerWaalsContact C-N 3.34Å; L519-S521 PolarHBondContact O-N 3.39Å; S521-L524 PolarHBondContact O-N 2.94Å; S521-F525 WeakPolarHBondContact O-CB 3.4Å; S521-F525 PolarHBondContact O-N 3.35Å
522	W	68.8	Low	73.4	Confident	96 Å²	96	73 Å²	73	36%	0.364	36%	0.362	S	S	.	.	H	α-helix	trans	-68.9	-42.5	178.5	-167.2	69.7	0	0	0	111.8	H518 L519 E520 L524 F525 I526 N578	H518-W522 VanDerWaalsContact O-CB 3.29Å; H518-W522 WeakPolarHBondContact O-CB 3.31Å; H518-W522 PolarHBondContact O-N 2.91Å; L519-W522 HydrophobicContact CD1-CE3 4.48Å; L519-W522 PolarHBondContact O-N 3.49Å; E520-W522 VanDerWaalsContact C-N 3.31Å; E520-W522 PolarHBondContact O-N 2.89Å; W522-L524 VanDerWaalsContact C-N 3.29Å; W522-L524 PolarHBondContact O-N 2.84Å; W522-F525 PolarHBondContact O-N 2.89Å; W522-I526 HydrophobicContact CD2-CD1 3.61Å; W522-I526 HydrophobicContact CD2-CG1 4.37Å; W522-I526 HydrophobicContact CE3-CD1 3.44Å; W522-I526 VanDerWaalsContact CE3-CD1 3.44Å; W522-I526 HydrophobicContact CG-CD1 4.46Å; W522-I526 HydrophobicContact CH2-CD1 3.54Å; W522-I526 HydrophobicContact CZ2-CD1 3.71Å; W522-I526 HydrophobicContact CZ3-CD1 3.39Å; W522-I526 WeakPolarHBondContact O-CG1 3.21Å; W522-I526 PolarHBondContact O-N 3.47Å; W522-N578 WeakPolarHBondContact CH2-OD1 3.33Å
523	I	71	Confident	72	Confident	32 Å²	32	74 Å²	74	16%	0.164	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-41.3	172.3	-68.2	167.7	0	0	0	110.4	L519 E520 I526 K527	L519-I523 HydrophobicContact CD1-CD1 4.3Å; L519-I523 HydrophobicContact CD1-CG1 4.49Å; L519-I523 HydrophobicContact CG-CD1 4.03Å; L519-I523 VanDerWaalsContact O-CG1 3.31Å; L519-I523 WeakPolarHBondContact O-CG1 3.44Å; L519-I523 PolarHBondContact O-N 3.33Å; E520-I523 PolarHBondContact O-N 3.42Å; I523-I526 PolarHBondContact O-N 3.36Å; I523-K527 WeakPolarHBondContact O-CB 3.48Å; I523-K527 PolarHBondContact O-N 3Å
524	L	73	Confident	70.7	Confident	91 Å²	91	73.8 Å²	73.8	48%	0.476	36%	0.361	S	S	.	.	H	α-helix	trans	-64.5	-42.6	176	-139	98.4	0	0	0	111.7	E520 S521 W522 K527 E528	E520-L524 PolarHBondContact O-N 3.4Å; S521-L524 PolarHBondContact O-N 2.94Å; W522-L524 VanDerWaalsContact C-N 3.29Å; W522-L524 PolarHBondContact O-N 2.84Å; L524-K527 WeakPolarHBondContact O-CB 3.44Å; L524-K527 PolarHBondContact O-N 3.26Å; L524-E528 WeakPolarHBondContact O-CG 3.34Å; L524-E528 PolarHBondContact O-N 2.89Å
525	F	67.3	Low	69.7	Low	109 Å²	109	70.6 Å²	70.6	48%	0.478	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-45.8	177	176.2	-99.3	0	0	0	111.6	S521 W522 K527 E528 Q529	S521-F525 WeakPolarHBondContact O-CB 3.4Å; S521-F525 PolarHBondContact O-N 3.35Å; W522-F525 PolarHBondContact O-N 2.89Å; F525-K527 VanDerWaalsContact C-N 3.28Å; F525-K527 PolarHBondContact O-N 3.18Å; F525-E528 PolarHBondContact O-N 2.94Å; F525-E528 VanDerWaalsContact O-N 3.16Å; F525-Q529 HydrophobicContact CD1-CG 4.06Å; F525-Q529 HydrophobicContact CD2-CG 4.41Å; F525-Q529 HydrophobicContact CE1-CG 3.58Å; F525-Q529 HydrophobicContact CE2-CG 3.99Å; F525-Q529 HydrophobicContact CG-CG 4.45Å; F525-Q529 HydrophobicContact CZ-CG 3.55Å; F525-Q529 WeakPolarHBondContact O-CG 3.45Å; F525-Q529 PolarHBondContact O-N 2.88Å
526	I	63.3	Low	68.6	Low	15 Å²	15	70.6 Å²	70.6	8%	0.077	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-44.3	174.6	-70	167.4	0	0	0	110.2	W522 I523 E528 Q529 M530 I581	W522-I526 HydrophobicContact CD2-CD1 3.61Å; W522-I526 HydrophobicContact CD2-CG1 4.37Å; W522-I526 HydrophobicContact CE3-CD1 3.44Å; W522-I526 VanDerWaalsContact CE3-CD1 3.44Å; W522-I526 HydrophobicContact CG-CD1 4.46Å; W522-I526 HydrophobicContact CH2-CD1 3.54Å; W522-I526 HydrophobicContact CZ2-CD1 3.71Å; W522-I526 HydrophobicContact CZ3-CD1 3.39Å; W522-I526 WeakPolarHBondContact O-CG1 3.21Å; W522-I526 PolarHBondContact O-N 3.47Å; I523-I526 PolarHBondContact O-N 3.36Å; I526-E528 VanDerWaalsContact C-N 3.32Å; I526-E528 PolarHBondContact O-N 2.84Å; I526-Q529 PolarHBondContact O-N 3.33Å; I526-M530 HydrophobicContact CG2-CG 4.21Å; I526-M530 WeakPolarHBondContact O-CB 3.21Å; I526-M530 VanDerWaalsContact O-CG 3.27Å; I526-M530 WeakPolarHBondContact O-CG 3.36Å; I526-M530 PolarHBondContact O-N 3.43Å; I526-I581 HydrophobicContact CD1-CD1 3.87Å; I526-I581 HydrophobicContact CG1-CD1 4.38Å; I526-I581 HydrophobicContact CG2-CD1 3.82Å
527	K	66.9	Low	67	Low	74 Å²	74	72.5 Å²	72.5	32%	0.322	37%	0.365	S	S	.	.	H	α-helix	trans	-57.6	-45.8	176.3	-176.2	-174.8	173.3	-173.3	0	111.2	I523 L524 F525 L531 L565	I523-K527 WeakPolarHBondContact O-CB 3.48Å; I523-K527 PolarHBondContact O-N 3Å; L524-K527 WeakPolarHBondContact O-CB 3.44Å; L524-K527 PolarHBondContact O-N 3.26Å; F525-K527 VanDerWaalsContact C-N 3.28Å; F525-K527 PolarHBondContact O-N 3.18Å; K527-L531 HydrophobicContact CG-CD1 4.2Å; K527-L531 WeakPolarHBondContact O-CB 3.49Å; K527-L531 VanDerWaalsContact O-CG 3.24Å; K527-L531 WeakPolarHBondContact O-CG 3.43Å; K527-L531 PolarHBondContact O-N 2.92Å; K527-L565 HydrophobicContact CB-CD1 3.86Å; K527-L565 HydrophobicContact CG-CD1 4.01Å
528	E	67.8	Low	65.3	Low	108 Å²	108	75.7 Å²	75.7	51%	0.505	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-46	177	-73.3	-179.9	173.7	0	0	112.1	L524 F525 I526 M530 L531 T532	L524-E528 WeakPolarHBondContact O-CG 3.34Å; L524-E528 PolarHBondContact O-N 2.89Å; F525-E528 PolarHBondContact O-N 2.94Å; F525-E528 VanDerWaalsContact O-N 3.16Å; I526-E528 VanDerWaalsContact C-N 3.32Å; I526-E528 PolarHBondContact O-N 2.84Å; E528-M530 PolarHBondContact O-N 2.97Å; E528-L531 PolarHBondContact O-N 3.36Å; E528-T532 WeakPolarHBondContact O-CG2 3.17Å; E528-T532 PolarHBondContact O-N 3.21Å; E528-T532 PolarHBondContact O-OG1 2.84Å
529	Q	62.2	Low	63.8	Low	91 Å²	91	76.2 Å²	76.2	43%	0.425	39%	0.392	S	S	.	.	H	α-helix	trans	-60	-45.3	177.5	-69.5	-56.2	-47	0	0	111.6	F525 I526 L531 T532 F533	F525-Q529 HydrophobicContact CD1-CG 4.06Å; F525-Q529 HydrophobicContact CD2-CG 4.41Å; F525-Q529 HydrophobicContact CE1-CG 3.58Å; F525-Q529 HydrophobicContact CE2-CG 3.99Å; F525-Q529 HydrophobicContact CG-CG 4.45Å; F525-Q529 HydrophobicContact CZ-CG 3.55Å; F525-Q529 WeakPolarHBondContact O-CG 3.45Å; F525-Q529 PolarHBondContact O-N 2.88Å; I526-Q529 PolarHBondContact O-N 3.33Å; Q529-L531 VanDerWaalsContact C-N 3.35Å; Q529-L531 PolarHBondContact O-N 3.18Å; Q529-T532 WeakPolarHBondContact CA-OG1 3.31Å; Q529-T532 PolarHBondContact O-N 2.96Å; Q529-T532 PolarHBondContact O-OG1 3.26Å; Q529-F533 WeakPolarHBondContact O-CB 3.4Å; Q529-F533 PolarHBondContact O-N 3.36Å
530	M	58.4	Low	62.3	Low	55 Å²	55	78 Å²	78	27%	0.271	41%	0.408	S	S	.	.	H	α-helix	trans	-63.1	-40.3	176.9	-72.2	-71.3	154.5	0	0	112	I526 E528 F533 I534 I581	I526-M530 HydrophobicContact CG2-CG 4.21Å; I526-M530 WeakPolarHBondContact O-CB 3.21Å; I526-M530 VanDerWaalsContact O-CG 3.27Å; I526-M530 WeakPolarHBondContact O-CG 3.36Å; I526-M530 PolarHBondContact O-N 3.43Å; E528-M530 PolarHBondContact O-N 2.97Å; M530-F533 PolarHBondContact O-N 2.89Å; M530-I534 WeakPolarHBondContact O-CD1 3.48Å; M530-I534 VanDerWaalsContact O-CG1 3.25Å; M530-I534 WeakPolarHBondContact O-CG1 3.43Å; M530-I534 PolarHBondContact O-N 3.49Å; M530-I534 VanDerWaalsContact O-N 3.08Å; M530-I581 HydrophobicContact CE-CG1 4.31Å
531	L	64.3	Low	60.3	Low	64 Å²	64	80.5 Å²	80.5	34%	0.335	43%	0.432	S	S	.	.	H	α-helix	trans	-62.3	-44.7	173.5	-74.5	167.9	0	0	0	111.6	K527 E528 Q529 I534 D535 K558	K527-L531 HydrophobicContact CG-CD1 4.2Å; K527-L531 WeakPolarHBondContact O-CB 3.49Å; K527-L531 VanDerWaalsContact O-CG 3.24Å; K527-L531 WeakPolarHBondContact O-CG 3.43Å; K527-L531 PolarHBondContact O-N 2.92Å; E528-L531 PolarHBondContact O-N 3.36Å; Q529-L531 VanDerWaalsContact C-N 3.35Å; Q529-L531 PolarHBondContact O-N 3.18Å; L531-I534 PolarHBondContact O-N 3.23Å; L531-D535 PolarHBondContact O-N 2.9Å; L531-K558 HydrophobicContact CD2-CD 4.13Å; L531-K558 HydrophobicContact CD2-CG 4.12Å
532	T	64.9	Low	58.5	Low	75 Å²	75	82.4 Å²	82.4	46%	0.46	44%	0.44	S	S	.	.	H	α-helix	trans	-66.6	-35.9	177.3	61.6	0	0	0	0	112.9	E528 Q529 D535 S536	E528-T532 WeakPolarHBondContact O-CG2 3.17Å; E528-T532 PolarHBondContact O-N 3.21Å; E528-T532 PolarHBondContact O-OG1 2.84Å; Q529-T532 WeakPolarHBondContact CA-OG1 3.31Å; Q529-T532 PolarHBondContact O-N 2.96Å; Q529-T532 PolarHBondContact O-OG1 3.26Å; T532-D535 PolarHBondContact O-N 3.48Å; T532-S536 VanDerWaalsContact O-CB 3.3Å; T532-S536 WeakPolarHBondContact O-CB 3.33Å; T532-S536 PolarHBondContact O-N 3.47Å; T532-S536 PolarHBondContact O-OG 2.76Å
533	F	56	Low	57.1	Low	143 Å²	143	85.7 Å²	85.7	63%	0.627	46%	0.463	S	S	*	.	H	α-helix	trans	-61.9	-46.8	175.5	-179.4	-99.5	0	0	0	110.7	Q529 M530 D535 S536 S537	Q529-F533 WeakPolarHBondContact O-CB 3.4Å; Q529-F533 PolarHBondContact O-N 3.36Å; M530-F533 PolarHBondContact O-N 2.89Å; F533-D535 VanDerWaalsContact C-N 3.29Å; F533-D535 PolarHBondContact O-N 2.97Å; F533-S536 PolarHBondContact O-N 3.5Å; F533-S536 PolarHBondContact O-OG 3.45Å; F533-S537 PolarHBondContact O-N 2.85Å
534	I	57.1	Low	55.3	Low	21 Å²	21	91.4 Å²	91.4	11%	0.108	49%	0.491	C	S	.	.	H	α-helix	trans	-58.5	-42.8	175.5	-65.9	164.4	0	0	0	110.7	M530 L531 S537 K554 K558 L561	M530-I534 WeakPolarHBondContact O-CD1 3.48Å; M530-I534 VanDerWaalsContact O-CG1 3.25Å; M530-I534 WeakPolarHBondContact O-CG1 3.43Å; M530-I534 PolarHBondContact O-N 3.49Å; M530-I534 VanDerWaalsContact O-N 3.08Å; L531-I534 PolarHBondContact O-N 3.23Å; I534-S537 PolarHBondContact O-OG 2.93Å; I534-K554 HydrophobicContact CG2-CG 4.38Å; I534-K558 HydrophobicContact CD1-CG 3.89Å; I534-K558 HydrophobicContact CG2-CD 4.46Å; I534-K558 HydrophobicContact CG2-CG 4.17Å; I534-L561 HydrophobicContact CD1-CD1 3.79Å
535	D	62.3	Low	53.7	Low	85 Å²	85	91.9 Å²	91.9	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-70.6	-36.9	179.3	-68.8	-22.5	0	0	0	112.6	L531 T532 F533 S537 N538 K558	L531-D535 PolarHBondContact O-N 2.9Å; T532-D535 PolarHBondContact O-N 3.48Å; F533-D535 VanDerWaalsContact C-N 3.29Å; F533-D535 PolarHBondContact O-N 2.97Å; D535-S537 VanDerWaalsContact C-N 3.31Å; D535-S537 PolarHBondContact O-N 3.27Å; D535-N538 PolarHBondContact O-N 3.41Å; D535-K558 WeakPolarHBondContact OD1-CE 3.49Å; D535-K558 IonicContact OD1-NZ 3.77Å; D535-K558 PolarHBondContact OD1-NZ 3.36Å; D535-K558 IonicContact OD2-NZ 2.6Å
536	S	57.5	Low	52.5	Low	59 Å²	59	93.7 Å²	93.7	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-70.8	-21	-178.6	72.8	0	0	0	0	114.4	T532 F533 N538 N539	T532-S536 VanDerWaalsContact O-CB 3.3Å; T532-S536 WeakPolarHBondContact O-CB 3.33Å; T532-S536 PolarHBondContact O-N 3.47Å; T532-S536 PolarHBondContact O-OG 2.76Å; F533-S536 PolarHBondContact O-N 3.5Å; F533-S536 PolarHBondContact O-OG 3.45Å; S536-N538 PolarHBondContact O-N 3.06Å; S536-N539 PolarHBondContact O-N 3.28Å
537	S	51.8	Low	51.7	Low	58 Å²	58	97 Å²	97	41%	0.406	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-14.7	174.7	70.2	0	0	0	0	113.8	F533 I534 D535 S540	F533-S537 PolarHBondContact O-N 2.85Å; I534-S537 PolarHBondContact O-OG 2.93Å; D535-S537 VanDerWaalsContact C-N 3.31Å; D535-S537 PolarHBondContact O-N 3.27Å; S537-S540 PolarHBondContact O-OG 2.88Å
538	N	48.5	Very low	51	Low	103 Å²	103	101.3 Å²	101.3	55%	0.551	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-24.5	170.4	-80.4	-12.3	0	0	0	114.5	D535 S536 K554	D535-N538 PolarHBondContact O-N 3.41Å; S536-N538 PolarHBondContact O-N 3.06Å; N538-K554 PolarHBondContact ND2-NZ 3.5Å; N538-K554 PolarHBondContact OD1-NZ 3.43Å
539	N	47.3	Very low	50.2	Low	149 Å²	149	100.7 Å²	100.7	80%	0.797	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-14.3	-176.3	-76.7	-13.4	0	0	0	113.3	S536 S541	S536-N539 PolarHBondContact O-N 3.28Å; N539-S541 VanDerWaalsContact C-N 3.34Å; N539-S541 PolarHBondContact O-N 3.38Å
540	S	41.8	Very low	49.5	Very low	76 Å²	76	98.7 Å²	98.7	53%	0.531	56%	0.558	S	S	.	*	S	Bend	trans	-68.6	98.1	165.2	46.4	0	0	0	0	108.5	S537 V542	S537-S540 PolarHBondContact O-OG 2.88Å; S540-V542 PolarHBondContact O-N 3.48Å
541	S	37.4	Very low	49.3	Very low	114 Å²	114	101 Å²	101	80%	0.797	57%	0.568	S	S	*	*			trans	-48.9	21.2	177.2	57	0	0	0	0	118.2	N539 I543	N539-S541 VanDerWaalsContact C-N 3.34Å; N539-S541 PolarHBondContact O-N 3.38Å; S541-I543 PolarHBondContact O-N 2.89Å
542	V	41.1	Very low	48.8	Very low	112 Å²	112	103.6 Å²	103.6	68%	0.679	58%	0.578	S	S	*	*			trans	-76.2	99.3	167.1	-172.3	0	0	0	0	107.1	S540 M544	S540-V542 PolarHBondContact O-N 3.48Å; V542-M544 HydrophobicContact CG1-CG 4.22Å; V542-M544 PolarHBondContact O-N 2.92Å
543	I	38.4	Very low	48.1	Very low	166 Å²	166	105.3 Å²	105.3	85%	0.851	58%	0.581	S	S	*	*			trans	-46	87.8	168.3	-58.4	159.2	0	0	0	108.7	S541	S541-I543 PolarHBondContact O-N 2.89Å
544	M	34.4	Very low	47.8	Very low	152 Å²	152	99.7 Å²	99.7	75%	0.749	56%	0.557	S	S	*	*			trans	-113.3	125.9	164.8	-73.9	-66.1	-97.3	0	0	106.3	V542 T546	V542-M544 HydrophobicContact CG1-CG 4.22Å; V542-M544 PolarHBondContact O-N 2.92Å; M544-T546 PolarHBondContact O-N 2.99Å
545	P	38.5	Very low	47.9	Very low	101 Å²	101	102.8 Å²	102.8	66%	0.656	58%	0.577	S	S	*	*			trans	-56.5	128.6	-174.4	-19.1	29	0	0	0	109.7	T547	P545-T547 PolarHBondContact O-N 3.34Å
546	T	43.2	Very low	47.6	Very low	146 Å²	146	103.9 Å²	103.9	90%	0.896	58%	0.581	S	S	*	*			trans	-54.7	82.7	169.2	49.8	0	0	0	0	109.2	M544	M544-T546 PolarHBondContact O-N 2.99Å
547	T	46.5	Very low	47.4	Very low	84 Å²	84	105.8 Å²	105.8	52%	0.515	59%	0.586	S	S	.	*			trans	-91.1	134.9	170.6	49.2	0	0	0	0	106.9	P545 N549 S550	P545-T547 PolarHBondContact O-N 3.34Å; T547-N549 PolarHBondContact O-N 3.5Å; T547-S550 WeakPolarHBondContact O-CB 3.23Å; T547-S550 PolarHBondContact O-N 3.37Å
548	E	52.6	Low	47.7	Very low	166 Å²	166	106.2 Å²	106.2	78%	0.776	58%	0.581	S	S	*	*	H	α-helix	trans	-49	-25.9	176.6	-65.7	176.1	158.4	0	0	112.5	S550 E551 Q552	E548-S550 VanDerWaalsContact C-N 3.35Å; E548-S550 PolarHBondContact O-N 3.43Å; E548-E551 PolarHBondContact O-N 2.91Å; E548-Q552 WeakPolarHBondContact O-CG 3.44Å; E548-Q552 PolarHBondContact O-N 3.43Å; E548-Q552 VanDerWaalsContact O-N 3.12Å
549	N	51	Low	48.1	Very low	94 Å²	94	106.6 Å²	106.6	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-63.2	-34.5	176.5	-151	3.3	0	0	0	113.3	T547 Q553	T547-N549 PolarHBondContact O-N 3.5Å; N549-Q553 WeakPolarHBondContact O-CB 3.48Å; N549-Q553 WeakPolarHBondContact O-CG 3.34Å; N549-Q553 PolarHBondContact O-N 3.02Å
550	S	46.1	Very low	48.5	Very low	49 Å²	49	103.2 Å²	103.2	34%	0.343	56%	0.564	S	S	.	*	H	α-helix	trans	-68	-41.9	177.7	-179.4	0	0	0	0	111.7	T547 E548 Q553 K554	T547-S550 WeakPolarHBondContact O-CB 3.23Å; T547-S550 PolarHBondContact O-N 3.37Å; E548-S550 VanDerWaalsContact C-N 3.35Å; E548-S550 PolarHBondContact O-N 3.43Å; S550-Q553 PolarHBondContact O-N 3.03Å; S550-K554 WeakPolarHBondContact O-CG 3.2Å; S550-K554 PolarHBondContact O-N 3.47Å
551	E	54.2	Low	49.2	Very low	103 Å²	103	101.8 Å²	101.8	48%	0.481	55%	0.55	S	S	.	*	H	α-helix	trans	-68.3	-39.4	177.2	-72.3	-60.1	134	0	0	111.7	E548 K554 V555	E548-E551 PolarHBondContact O-N 2.91Å; E551-K554 WeakPolarHBondContact O-CB 3.02Å; E551-K554 PolarHBondContact O-N 3.02Å; E551-K554 IonicContact OE1-NZ 2.85Å; E551-K554 PolarHBondContact OE1-NZ 3.25Å; E551-V555 WeakPolarHBondContact O-CG2 3.46Å; E551-V555 PolarHBondContact O-N 3.43Å
552	Q	54.6	Low	50.1	Low	119 Å²	119	100.2 Å²	100.2	56%	0.556	53%	0.53	S	S	*	.	H	α-helix	trans	-62.2	-44.9	172.5	-72.6	-179.1	-5.9	0	0	111.9	E548 K554 V555 I556	E548-Q552 WeakPolarHBondContact O-CG 3.44Å; E548-Q552 PolarHBondContact O-N 3.43Å; E548-Q552 VanDerWaalsContact O-N 3.12Å; Q552-K554 VanDerWaalsContact C-N 3.28Å; Q552-K554 PolarHBondContact O-N 3.23Å; Q552-V555 PolarHBondContact O-N 2.94Å; Q552-I556 VanDerWaalsContact O-CG1 3.27Å; Q552-I556 WeakPolarHBondContact O-CG1 3.5Å; Q552-I556 PolarHBondContact O-N 3.19Å
553	Q	48.9	Very low	50.8	Low	111 Å²	111	99.4 Å²	99.4	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-59.2	-39.1	174.8	-77	175.3	-3.7	0	0	111.7	N549 S550 I556 L557	N549-Q553 WeakPolarHBondContact O-CB 3.48Å; N549-Q553 WeakPolarHBondContact O-CG 3.34Å; N549-Q553 PolarHBondContact O-N 3.02Å; S550-Q553 PolarHBondContact O-N 3.03Å; Q553-I556 PolarHBondContact O-N 2.75Å; Q553-L557 WeakPolarHBondContact O-CB 3.46Å; Q553-L557 PolarHBondContact O-N 3.28Å
554	K	50.2	Low	51.8	Low	25 Å²	25	93.9 Å²	93.9	11%	0.109	50%	0.498	C	S	.	.	H	α-helix	trans	-64.4	-44.7	174.7	-74.2	175.1	-171.8	174.1	0	112.9	I534 N538 S550 E551 Q552 I556 L557 K558	I534-K554 HydrophobicContact CG2-CG 4.38Å; N538-K554 PolarHBondContact ND2-NZ 3.5Å; N538-K554 PolarHBondContact OD1-NZ 3.43Å; S550-K554 WeakPolarHBondContact O-CG 3.2Å; S550-K554 PolarHBondContact O-N 3.47Å; E551-K554 WeakPolarHBondContact O-CB 3.02Å; E551-K554 PolarHBondContact O-N 3.02Å; E551-K554 IonicContact OE1-NZ 2.85Å; E551-K554 PolarHBondContact OE1-NZ 3.25Å; Q552-K554 VanDerWaalsContact C-N 3.28Å; Q552-K554 PolarHBondContact O-N 3.23Å; K554-I556 VanDerWaalsContact C-N 3.28Å; K554-I556 PolarHBondContact O-N 2.96Å; K554-L557 PolarHBondContact O-N 3.48Å; K554-K558 WeakPolarHBondContact O-CB 3.26Å; K554-K558 WeakPolarHBondContact O-CG 3.29Å; K554-K558 PolarHBondContact O-N 3.47Å
555	V	60.7	Low	53	Low	87 Å²	87	87.5 Å²	87.5	53%	0.527	47%	0.467	S	S	.	.	H	α-helix	trans	-59.7	-44.7	177	172.4	0	0	0	0	109.8	E551 Q552 K558 Q559	E551-V555 WeakPolarHBondContact O-CG2 3.46Å; E551-V555 PolarHBondContact O-N 3.43Å; Q552-V555 PolarHBondContact O-N 2.94Å; V555-K558 PolarHBondContact O-N 3.07Å; V555-Q559 VanDerWaalsContact O-CB 3.29Å; V555-Q559 WeakPolarHBondContact O-CB 3.5Å; V555-Q559 PolarHBondContact O-N 3.35Å
556	I	55.1	Low	53.7	Low	107 Å²	107	87.3 Å²	87.3	55%	0.549	46%	0.46	S	S	.	.	H	α-helix	trans	-60.8	-50	175.7	-64.8	164.3	0	0	0	110	Q552 Q553 K554 K558 Q559 T560	Q552-I556 VanDerWaalsContact O-CG1 3.27Å; Q552-I556 WeakPolarHBondContact O-CG1 3.5Å; Q552-I556 PolarHBondContact O-N 3.19Å; Q553-I556 PolarHBondContact O-N 2.75Å; K554-I556 VanDerWaalsContact C-N 3.28Å; K554-I556 PolarHBondContact O-N 2.96Å; I556-K558 PolarHBondContact O-N 3.31Å; I556-Q559 PolarHBondContact O-N 2.78Å; I556-Q559 VanDerWaalsContact O-N 3.13Å; I556-T560 WeakPolarHBondContact O-CB 3.21Å; I556-T560 PolarHBondContact O-N 2.62Å; I556-T560 PolarHBondContact O-OG1 2.88Å
557	L	52.8	Low	54.4	Low	99 Å²	99	84.2 Å²	84.2	52%	0.518	44%	0.438	S	S	.	.	H	α-helix	trans	-60.6	-43.8	-179.2	-124.4	148.1	0	0	0	112.4	Q553 K554 Q559 T560 L561	Q553-L557 WeakPolarHBondContact O-CB 3.46Å; Q553-L557 PolarHBondContact O-N 3.28Å; K554-L557 PolarHBondContact O-N 3.48Å; L557-Q559 VanDerWaalsContact C-N 3.33Å; L557-Q559 PolarHBondContact O-N 3.34Å; L557-T560 PolarHBondContact O-N 2.85Å; L557-L561 HydrophobicContact CD2-CD1 3.88Å; L557-L561 WeakPolarHBondContact O-CB 3.49Å; L557-L561 PolarHBondContact O-N 2.74Å
558	K	57.8	Low	55	Low	67 Å²	67	80.4 Å²	80.4	29%	0.291	41%	0.414	S	S	.	.	H	α-helix	trans	-61.2	-42.5	174.9	-75.4	-175.6	178.9	-173.9	0	111.2	L531 I534 D535 K554 V555 I556 H562	L531-K558 HydrophobicContact CD2-CD 4.13Å; L531-K558 HydrophobicContact CD2-CG 4.12Å; I534-K558 HydrophobicContact CD1-CG 3.89Å; I534-K558 HydrophobicContact CG2-CD 4.46Å; I534-K558 HydrophobicContact CG2-CG 4.17Å; D535-K558 WeakPolarHBondContact OD1-CE 3.49Å; D535-K558 IonicContact OD1-NZ 3.77Å; D535-K558 PolarHBondContact OD1-NZ 3.36Å; D535-K558 IonicContact OD2-NZ 2.6Å; K554-K558 WeakPolarHBondContact O-CB 3.26Å; K554-K558 WeakPolarHBondContact O-CG 3.29Å; K554-K558 PolarHBondContact O-N 3.47Å; V555-K558 PolarHBondContact O-N 3.07Å; I556-K558 PolarHBondContact O-N 3.31Å; K558-H562 VanDerWaalsContact O-CB 3.28Å; K558-H562 WeakPolarHBondContact O-CB 3.48Å; K558-H562 PolarHBondContact O-N 2.88Å
559	Q	57.1	Low	54.9	Low	112 Å²	112	77 Å²	77	52%	0.523	40%	0.397	S	S	.	.	H	α-helix	trans	-70.5	-43.3	-179.8	-168.3	143.6	-3.5	0	0	111.8	V555 I556 L557 L561 H562 E563	V555-Q559 VanDerWaalsContact O-CB 3.29Å; V555-Q559 WeakPolarHBondContact O-CB 3.5Å; V555-Q559 PolarHBondContact O-N 3.35Å; I556-Q559 PolarHBondContact O-N 2.78Å; I556-Q559 VanDerWaalsContact O-N 3.13Å; L557-Q559 VanDerWaalsContact C-N 3.33Å; L557-Q559 PolarHBondContact O-N 3.34Å; Q559-L561 PolarHBondContact O-N 3.36Å; Q559-H562 WeakPolarHBondContact O-CB 3.32Å; Q559-H562 PolarHBondContact O-N 2.66Å; Q559-E563 WeakPolarHBondContact O-CB 3.37Å; Q559-E563 WeakPolarHBondContact O-CG 3.38Å; Q559-E563 PolarHBondContact O-N 2.79Å
560	T	56.6	Low	55.2	Low	78 Å²	78	73.8 Å²	73.8	48%	0.479	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-41	175.3	-52	0	0	0	0	111.7	I556 L557 E563 A564	I556-T560 WeakPolarHBondContact O-CB 3.21Å; I556-T560 PolarHBondContact O-N 2.62Å; I556-T560 PolarHBondContact O-OG1 2.88Å; L557-T560 PolarHBondContact O-N 2.85Å; T560-E563 PolarHBondContact O-N 3.35Å; T560-A564 VanDerWaalsContact O-CB 3.29Å; T560-A564 WeakPolarHBondContact O-CB 3.41Å; T560-A564 PolarHBondContact O-N 3.42Å
561	L	55.9	Low	55.7	Low	45 Å²	45	75.9 Å²	75.9	24%	0.236	39%	0.387	C	S	.	.	H	α-helix	trans	-65.8	-41.4	173.5	-94.8	158.9	0	0	0	112.1	I534 L557 Q559 E563 A564 L565	I534-L561 HydrophobicContact CD1-CD1 3.79Å; L557-L561 HydrophobicContact CD2-CD1 3.88Å; L557-L561 WeakPolarHBondContact O-CB 3.49Å; L557-L561 PolarHBondContact O-N 2.74Å; Q559-L561 PolarHBondContact O-N 3.36Å; L561-E563 VanDerWaalsContact C-N 3.33Å; L561-E563 PolarHBondContact O-N 2.82Å; L561-A564 PolarHBondContact O-N 2.97Å; L561-L565 WeakPolarHBondContact O-CB 3.27Å; L561-L565 WeakPolarHBondContact O-CG 3.38Å; L561-L565 PolarHBondContact O-N 3.3Å
562	H	56.6	Low	56	Low	81 Å²	81	73.3 Å²	73.3	38%	0.375	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-45	176.2	-175	42.6	0	0	0	111.3	K558 Q559 L566	K558-H562 VanDerWaalsContact O-CB 3.28Å; K558-H562 WeakPolarHBondContact O-CB 3.48Å; K558-H562 PolarHBondContact O-N 2.88Å; Q559-H562 WeakPolarHBondContact O-CB 3.32Å; Q559-H562 PolarHBondContact O-N 2.66Å; H562-L566 WeakPolarHBondContact CE1-CD1 3.35Å; H562-L566 WeakPolarHBondContact NE2-CD1 3.45Å; H562-L566 WeakPolarHBondContact O-CB 3.37Å; H562-L566 WeakPolarHBondContact O-CD1 3.44Å; H562-L566 WeakPolarHBondContact O-CG 3.48Å; H562-L566 PolarHBondContact O-N 3.44Å
563	E	56.3	Low	56.3	Low	96 Å²	96	69.3 Å²	69.3	45%	0.449	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-44.7	175.2	-75.2	175.9	-170.7	0	0	111.6	Q559 T560 L561 L565 L566 N567	Q559-E563 WeakPolarHBondContact O-CB 3.37Å; Q559-E563 WeakPolarHBondContact O-CG 3.38Å; Q559-E563 PolarHBondContact O-N 2.79Å; T560-E563 PolarHBondContact O-N 3.35Å; L561-E563 VanDerWaalsContact C-N 3.33Å; L561-E563 PolarHBondContact O-N 2.82Å; E563-L565 PolarHBondContact O-N 2.89Å; E563-L566 PolarHBondContact O-N 2.94Å; E563-N567 WeakPolarHBondContact O-CB 3.25Å; E563-N567 PolarHBondContact O-N 3.16Å; E563-N567 PolarHBondContact O-ND2 3.05Å; E563-N567 VanDerWaalsContact O-ND2 3.14Å
564	A	59.8	Low	56.8	Low	50 Å²	50	65.4 Å²	65.4	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-42.7	178.7	0	0	0	0	0	112.6	T560 L561 N567 I568	T560-A564 VanDerWaalsContact O-CB 3.29Å; T560-A564 WeakPolarHBondContact O-CB 3.41Å; T560-A564 PolarHBondContact O-N 3.42Å; L561-A564 PolarHBondContact O-N 2.97Å; A564-N567 CarbonylContact O-C 3.55Å; A564-N567 PolarHBondContact O-N 3.45Å; A564-I568 WeakPolarHBondContact O-CG1 3.4Å; A564-I568 PolarHBondContact O-N 2.89Å
565	L	58	Low	57.4	Low	18 Å²	18	67.8 Å²	67.8	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-69.8	-35.7	177.5	-72.4	172	0	0	0	112.6	K527 L561 E563 N567 I568 L577	K527-L565 HydrophobicContact CB-CD1 3.86Å; K527-L565 HydrophobicContact CG-CD1 4.01Å; L561-L565 WeakPolarHBondContact O-CB 3.27Å; L561-L565 WeakPolarHBondContact O-CG 3.38Å; L561-L565 PolarHBondContact O-N 3.3Å; E563-L565 PolarHBondContact O-N 2.89Å; L565-N567 VanDerWaalsContact C-N 3.32Å; L565-I568 HydrophobicContact CD2-CD1 4.23Å; L565-L577 HydrophobicContact CD2-CD1 4.21Å; L565-L577 HydrophobicContact CD2-CD2 3.69Å
566	L	54.3	Low	57.3	Low	96 Å²	96	63.6 Å²	63.6	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-68	-35.2	172.6	-79	165.5	0	0	0	111.7	K499 H562 E563	K499-L566 PolarHBondContact NZ-O 3.36Å; H562-L566 WeakPolarHBondContact CE1-CD1 3.35Å; H562-L566 WeakPolarHBondContact NE2-CD1 3.45Å; H562-L566 WeakPolarHBondContact O-CB 3.37Å; H562-L566 WeakPolarHBondContact O-CD1 3.44Å; H562-L566 WeakPolarHBondContact O-CG 3.48Å; H562-L566 PolarHBondContact O-N 3.44Å; E563-L566 PolarHBondContact O-N 2.94Å
567	N	57.2	Low	57.5	Low	81 Å²	81	59.8 Å²	59.8	43%	0.433	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	15.4	-175.1	-67.1	-25	0	0	0	114.3	E563 A564 L565 F569	E563-N567 WeakPolarHBondContact O-CB 3.25Å; E563-N567 PolarHBondContact O-N 3.16Å; E563-N567 PolarHBondContact O-ND2 3.05Å; E563-N567 VanDerWaalsContact O-ND2 3.14Å; A564-N567 CarbonylContact O-C 3.55Å; A564-N567 PolarHBondContact O-N 3.45Å; L565-N567 VanDerWaalsContact C-N 3.32Å; N567-F569 VanDerWaalsContact C-N 3.33Å; N567-F569 VanDerWaalsContact CA-CE2 3.46Å; N567-F569 HydrophobicContact CB-CD2 4.05Å; N567-F569 HydrophobicContact CB-CE2 3.58Å; N567-F569 HydrophobicContact CB-CZ 4.39Å; N567-F569 WeakPolarHBondContact O-CD2 3.37Å; N567-F569 PolarHBondContact O-N 2.91Å; N567-F569 WeakPolarHBondContact OD1-CE2 3.3Å
568	I	58.3	Low	57.9	Low	4 Å²	4	57.7 Å²	57.7	2%	0.021	30%	0.297	C	S	.	.			trans	-64.1	104.8	162.7	-49.9	173.2	0	0	0	105.3	Y498 K499 A564 L565 D573 L574 L577	Y498-I568 HydrophobicContact CD1-CG2 3.82Å; Y498-I568 HydrophobicContact CE1-CB 3.87Å; Y498-I568 HydrophobicContact CE1-CG2 3.4Å; Y498-I568 VanDerWaalsContact CE1-CG2 3.4Å; Y498-I568 VanDerWaalsContact CE1-O 3.29Å; Y498-I568 WeakPolarHBondContact CE1-O 3.5Å; K499-I568 WeakPolarHBondContact CE-O 3.47Å; K499-I568 PolarHBondContact NZ-O 3.34Å; A564-I568 WeakPolarHBondContact O-CG1 3.4Å; A564-I568 PolarHBondContact O-N 2.89Å; L565-I568 HydrophobicContact CD2-CD1 4.23Å; I568-D573 HydrophobicContact CG2-CB 3.87Å; I568-L574 HydrophobicContact CD1-CD1 4.22Å; I568-L574 HydrophobicContact CG2-CB 3.86Å; I568-L574 HydrophobicContact CG2-CD1 4.28Å; I568-L577 HydrophobicContact CD1-CD2 3.72Å
569	F	51.4	Low	58	Low	94 Å²	94	57.6 Å²	57.6	41%	0.412	30%	0.299	S	S	.	.			trans	-110.2	-38.3	179	-69.5	-68.3	0	0	0	109.9	L408 N497 Y498 N567 D573	L408-F569 HydrophobicContact CD1-CD1 4.4Å; N497-F569 VanDerWaalsContact CA-O 3.26Å; N497-F569 WeakPolarHBondContact CA-O 3.45Å; N497-F569 PolarHBondContact ND2-O 3.5Å; N497-F569 PolarHBondContact OD1-O 2.84Å; Y498-F569 PolarHBondContact N-O 3.32Å; N567-F569 VanDerWaalsContact C-N 3.33Å; N567-F569 VanDerWaalsContact CA-CE2 3.46Å; N567-F569 HydrophobicContact CB-CD2 4.05Å; N567-F569 HydrophobicContact CB-CE2 3.58Å; N567-F569 HydrophobicContact CB-CZ 4.39Å; N567-F569 WeakPolarHBondContact O-CD2 3.37Å; N567-F569 PolarHBondContact O-N 2.91Å; N567-F569 WeakPolarHBondContact OD1-CE2 3.3Å; F569-D573 PolarHBondContact N-OD2 3.24Å
570	S	57.6	Low	57.8	Low	28 Å²	28	54.6 Å²	54.6	20%	0.196	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-100.7	156.4	-178.8	71.2	0	0	0	0	113.3	N496 Q572 D573 L574	N496-S570 VanDerWaalsContact O-CA 3.24Å; N496-S570 WeakPolarHBondContact O-CA 3.31Å; S570-Q572 PolarHBondContact O-N 2.91Å; S570-Q572 PolarHBondContact OG-N 3.34Å; S570-D573 WeakPolarHBondContact CB-OD2 3.45Å; S570-D573 PolarHBondContact N-OD2 3.49Å; S570-D573 PolarHBondContact O-N 2.86Å; S570-D573 PolarHBondContact OG-N 2.84Å; S570-D573 PolarHBondContact OG-OD1 2.93Å; S570-D573 PolarHBondContact OG-OD2 3.2Å; S570-L574 PolarHBondContact O-N 3.38Å
571	Q	56.7	Low	57.7	Low	93 Å²	93	51.9 Å²	51.9	44%	0.435	27%	0.269	S	S	.	.	H	α-helix	trans	-56.9	-32.7	165.8	-88.4	-168.1	-24.8	0	0	111.2	N496 N501 L574 I575	N496-Q571 PolarHBondContact O-N 3.17Å; N496-Q571 VanDerWaalsContact O-N 3.08Å; N501-Q571 PolarHBondContact ND2-NE2 3.42Å; Q571-L574 PolarHBondContact O-N 3.32Å; Q571-I575 VanDerWaalsContact O-CG1 3.27Å; Q571-I575 WeakPolarHBondContact O-CG1 3.46Å; Q571-I575 PolarHBondContact O-N 3.43Å
572	Q	60.4	Low	57.8	Low	48 Å²	48	55.7 Å²	55.7	22%	0.224	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-40.3	177.5	-168.4	59.8	39.7	0	0	111.9	S570 L574 I575 N576	S570-Q572 PolarHBondContact O-N 2.91Å; S570-Q572 PolarHBondContact OG-N 3.34Å; Q572-L574 VanDerWaalsContact C-N 3.28Å; Q572-L574 PolarHBondContact O-N 3.01Å; Q572-I575 PolarHBondContact O-N 2.99Å; Q572-N576 PolarHBondContact NE2-OD1 2.9Å; Q572-N576 WeakPolarHBondContact O-CB 3.29Å; Q572-N576 PolarHBondContact O-N 2.88Å; Q572-N576 PolarHBondContact O-ND2 3.38Å; Q572-N576 PolarHBondContact O-OD1 3.48Å
573	D	61.1	Low	57.5	Low	36 Å²	36	54.3 Å²	54.3	19%	0.193	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-39.3	175.5	-59.1	-39.8	0	0	0	111.2	I568 F569 S570 N576 L577 F628	I568-D573 HydrophobicContact CG2-CB 3.87Å; F569-D573 PolarHBondContact N-OD2 3.24Å; S570-D573 WeakPolarHBondContact CB-OD2 3.45Å; S570-D573 PolarHBondContact N-OD2 3.49Å; S570-D573 PolarHBondContact O-N 2.86Å; S570-D573 PolarHBondContact OG-N 2.84Å; S570-D573 PolarHBondContact OG-OD1 2.93Å; S570-D573 PolarHBondContact OG-OD2 3.2Å; D573-N576 PolarHBondContact O-N 3.48Å; D573-L577 WeakPolarHBondContact O-CB 3.39Å; D573-L577 PolarHBondContact O-N 2.81Å; D573-F628 HydrophobicContact CB-CE1 4.46Å; D573-F628 VanDerWaalsContact OD1-CD1 3.3Å; D573-F628 WeakPolarHBondContact OD1-CD1 3.24Å; D573-F628 WeakPolarHBondContact OD1-CE1 3.43Å
574	L	59.9	Low	57.1	Low	29 Å²	29	52 Å²	52	15%	0.152	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-42.6	177.1	-172.3	66	0	0	0	111.6	Y498 I568 S570 Q571 Q572 L577 N578	Y498-L574 HydrophobicContact CD2-CD2 4.42Å; Y498-L574 HydrophobicContact CG-CD2 4.5Å; I568-L574 HydrophobicContact CD1-CD1 4.22Å; I568-L574 HydrophobicContact CG2-CB 3.86Å; I568-L574 HydrophobicContact CG2-CD1 4.28Å; S570-L574 PolarHBondContact O-N 3.38Å; Q571-L574 PolarHBondContact O-N 3.32Å; Q572-L574 VanDerWaalsContact C-N 3.28Å; Q572-L574 PolarHBondContact O-N 3.01Å; L574-L577 PolarHBondContact O-N 3.17Å; L574-N578 PolarHBondContact O-N 2.9Å
575	I	61.4	Low	56.6	Low	74 Å²	74	55.9 Å²	55.9	38%	0.379	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-46.1	174	-69.4	165.1	0	0	0	110.2	Q571 Q572 L577 N578 I579	Q571-I575 VanDerWaalsContact O-CG1 3.27Å; Q571-I575 WeakPolarHBondContact O-CG1 3.46Å; Q571-I575 PolarHBondContact O-N 3.43Å; Q572-I575 PolarHBondContact O-N 2.99Å; I575-L577 VanDerWaalsContact C-N 3.33Å; I575-L577 PolarHBondContact O-N 2.91Å; I575-N578 WeakPolarHBondContact O-CB 3.48Å; I575-N578 PolarHBondContact O-N 3.46Å; I575-I579 HydrophobicContact CG2-CD1 3.85Å; I575-I579 WeakPolarHBondContact O-CG1 3.3Å; I575-I579 PolarHBondContact O-N 2.85Å
576	N	60.2	Low	56.2	Low	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-42.9	178.2	-68.4	-16.2	0	0	0	111.3	Q572 D573 I579 I580 L627 F628	Q572-N576 PolarHBondContact NE2-OD1 2.9Å; Q572-N576 WeakPolarHBondContact O-CB 3.29Å; Q572-N576 PolarHBondContact O-N 2.88Å; Q572-N576 PolarHBondContact O-ND2 3.38Å; Q572-N576 PolarHBondContact O-OD1 3.48Å; D573-N576 PolarHBondContact O-N 3.48Å; N576-I579 PolarHBondContact O-N 2.84Å; N576-I580 WeakPolarHBondContact O-CD1 3.45Å; N576-I580 VanDerWaalsContact O-CG1 3.22Å; N576-I580 WeakPolarHBondContact O-CG1 3.34Å; N576-I580 PolarHBondContact O-N 2.65Å; N576-L627 PolarHBondContact ND2-O 3.37Å; N576-L627 WeakPolarHBondContact OD1-CD2 3.43Å; N576-L627 PolarHBondContact OD1-O 2.85Å; N576-F628 HydrophobicContact CB-CE1 4.1Å; N576-F628 HydrophobicContact CB-CZ 4.25Å; N576-F628 WeakPolarHBondContact ND2-CD1 3.25Å
577	L	59.2	Low	55.7	Low	26 Å²	26	64.6 Å²	64.6	14%	0.136	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-45.1	174.7	-171.2	81	0	0	0	111.4	L565 I568 D573 L574 I575 I579 I580 I581	L565-L577 HydrophobicContact CD2-CD1 4.21Å; L565-L577 HydrophobicContact CD2-CD2 3.69Å; I568-L577 HydrophobicContact CD1-CD2 3.72Å; D573-L577 WeakPolarHBondContact O-CB 3.39Å; D573-L577 PolarHBondContact O-N 2.81Å; L574-L577 PolarHBondContact O-N 3.17Å; I575-L577 VanDerWaalsContact C-N 3.33Å; I575-L577 PolarHBondContact O-N 2.91Å; L577-I579 VanDerWaalsContact C-N 3.31Å; L577-I579 PolarHBondContact O-N 3.41Å; L577-I580 PolarHBondContact O-N 3.45Å; L577-I580 VanDerWaalsContact O-N 3.17Å; L577-I581 HydrophobicContact CD2-CD1 4.33Å; L577-I581 HydrophobicContact CG-CD1 4.08Å; L577-I581 WeakPolarHBondContact O-CG1 3.31Å; L577-I581 PolarHBondContact O-N 3.31Å
578	N	59.9	Low	55.1	Low	56 Å²	56	63 Å²	63	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-59.8	-40.7	176.3	-85.5	-12.2	0	0	0	112.4	W522 L574 I575 I581 Q582	W522-N578 WeakPolarHBondContact CH2-OD1 3.33Å; L574-N578 PolarHBondContact O-N 2.9Å; I575-N578 WeakPolarHBondContact O-CB 3.48Å; I575-N578 PolarHBondContact O-N 3.46Å; N578-I581 PolarHBondContact O-N 2.81Å; N578-Q582 PolarHBondContact O-N 2.9Å
579	I	59.5	Low	54.3	Low	65 Å²	65	64.5 Å²	64.5	33%	0.333	34%	0.338	S	S	.	.	H	α-helix	trans	-65.1	-41.8	175.6	-67	165.6	0	0	0	110.7	I575 N576 L577 I581 Q582 S583 L627	I575-I579 HydrophobicContact CG2-CD1 3.85Å; I575-I579 WeakPolarHBondContact O-CG1 3.3Å; I575-I579 PolarHBondContact O-N 2.85Å; N576-I579 PolarHBondContact O-N 2.84Å; L577-I579 VanDerWaalsContact C-N 3.31Å; L577-I579 PolarHBondContact O-N 3.41Å; I579-I581 VanDerWaalsContact C-N 3.32Å; I579-I581 PolarHBondContact O-N 3.39Å; I579-Q582 PolarHBondContact O-N 2.85Å; I579-S583 WeakPolarHBondContact O-CB 3.26Å; I579-S583 PolarHBondContact O-N 3.49Å; I579-S583 PolarHBondContact O-OG 3.3Å; I579-L627 HydrophobicContact CD1-CD2 4.16Å
580	I	54.2	Low	54	Low	49 Å²	49	64.3 Å²	64.3	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-40.8	176.4	-68.2	162.1	0	0	0	110.6	N576 L577 S583 A584 F624	N576-I580 WeakPolarHBondContact O-CD1 3.45Å; N576-I580 VanDerWaalsContact O-CG1 3.22Å; N576-I580 WeakPolarHBondContact O-CG1 3.34Å; N576-I580 PolarHBondContact O-N 2.65Å; L577-I580 PolarHBondContact O-N 3.45Å; L577-I580 VanDerWaalsContact O-N 3.17Å; I580-S583 WeakPolarHBondContact CA-OG 3.32Å; I580-S583 PolarHBondContact O-OG 3.48Å; I580-A584 VanDerWaalsContact O-CB 3.29Å; I580-A584 WeakPolarHBondContact O-CB 3.49Å; I580-A584 PolarHBondContact O-N 3.38Å; I580-F624 HydrophobicContact CD1-CD1 4.33Å; I580-F624 HydrophobicContact CD1-CE1 3.8Å; I580-F624 HydrophobicContact CG1-CE1 3.99Å
581	I	54.9	Low	53.3	Low	21 Å²	21	68 Å²	68	11%	0.108	36%	0.355	C	S	.	.	H	α-helix	trans	-67.4	-48.8	177.6	-66.8	168	0	0	0	110.7	I526 M530 L577 N578 I579 S583 A584 E585	I526-I581 HydrophobicContact CD1-CD1 3.87Å; I526-I581 HydrophobicContact CG1-CD1 4.38Å; I526-I581 HydrophobicContact CG2-CD1 3.82Å; M530-I581 HydrophobicContact CE-CG1 4.31Å; L577-I581 HydrophobicContact CD2-CD1 4.33Å; L577-I581 HydrophobicContact CG-CD1 4.08Å; L577-I581 WeakPolarHBondContact O-CG1 3.31Å; L577-I581 PolarHBondContact O-N 3.31Å; N578-I581 PolarHBondContact O-N 2.81Å; I579-I581 VanDerWaalsContact C-N 3.32Å; I579-I581 PolarHBondContact O-N 3.39Å; I581-S583 VanDerWaalsContact C-N 3.3Å; I581-S583 PolarHBondContact O-N 3.35Å; I581-A584 CarbonylContact O-C 3.58Å; I581-A584 WeakPolarHBondContact O-CB 3.35Å; I581-A584 PolarHBondContact O-N 3Å; I581-A584 VanDerWaalsContact O-N 3.1Å; I581-E585 HydrophobicContact CG2-CG 4.39Å; I581-E585 WeakPolarHBondContact O-CG 3.32Å; I581-E585 PolarHBondContact O-N 2.83Å
582	Q	56.8	Low	52.7	Low	124 Å²	124	70.3 Å²	70.3	58%	0.579	37%	0.369	S	S	*	.	H	α-helix	trans	-58.5	-42.7	177.5	-79.9	-178.3	-17.9	0	0	111.9	N578 I579 E585 E586	N578-Q582 PolarHBondContact O-N 2.9Å; I579-Q582 PolarHBondContact O-N 2.85Å; Q582-E585 PolarHBondContact O-N 3.33Å; Q582-E586 WeakPolarHBondContact O-CB 3.17Å; Q582-E586 WeakPolarHBondContact O-CG 3.28Å; Q582-E586 PolarHBondContact O-N 2.78Å
583	S	50.8	Low	52.1	Low	52 Å²	52	76.3 Å²	76.3	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-68	-34.5	176.1	55.4	0	0	0	0	112.7	I579 I580 I581 E586 Y587	I579-S583 WeakPolarHBondContact O-CB 3.26Å; I579-S583 PolarHBondContact O-N 3.49Å; I579-S583 PolarHBondContact O-OG 3.3Å; I580-S583 WeakPolarHBondContact CA-OG 3.32Å; I580-S583 PolarHBondContact O-OG 3.48Å; I581-S583 VanDerWaalsContact C-N 3.3Å; I581-S583 PolarHBondContact O-N 3.35Å; S583-E586 PolarHBondContact O-N 2.91Å; S583-Y587 VanDerWaalsContact O-CB 3.31Å; S583-Y587 WeakPolarHBondContact O-CB 3.34Å; S583-Y587 PolarHBondContact O-N 2.77Å
584	A	48.8	Very low	51	Low	49 Å²	49	80.1 Å²	80.1	41%	0.405	42%	0.415	S	S	.	.	H	α-helix	trans	-67.1	-40	172.4	0	0	0	0	0	112.1	I580 I581 Y587 A588	I580-A584 VanDerWaalsContact O-CB 3.29Å; I580-A584 WeakPolarHBondContact O-CB 3.49Å; I580-A584 PolarHBondContact O-N 3.38Å; I581-A584 CarbonylContact O-C 3.58Å; I581-A584 WeakPolarHBondContact O-CB 3.35Å; I581-A584 PolarHBondContact O-N 3Å; I581-A584 VanDerWaalsContact O-N 3.1Å; A584-Y587 PolarHBondContact O-N 3.43Å; A584-A588 WeakPolarHBondContact O-CB 3.29Å; A584-A588 PolarHBondContact O-N 3.16Å
585	E	48	Very low	49.4	Very low	131 Å²	131	83.4 Å²	83.4	61%	0.612	44%	0.44	S	S	*	.	H	α-helix	trans	-63.9	-43.9	173.5	-73	-179.6	165.2	0	0	111.5	I581 Q582 A588 G589	I581-E585 HydrophobicContact CG2-CG 4.39Å; I581-E585 WeakPolarHBondContact O-CG 3.32Å; I581-E585 PolarHBondContact O-N 2.83Å; Q582-E585 PolarHBondContact O-N 3.33Å; E585-A588 PolarHBondContact O-N 3.08Å; E585-G589 PolarHBondContact O-N 3.28Å
586	E	50.4	Low	48.2	Very low	143 Å²	143	84.7 Å²	84.7	67%	0.668	45%	0.453	S	S	*	.	H	α-helix	trans	-61.3	-43.1	173.7	-76.9	-178.4	174.3	0	0	111.6	Q582 S583 G589 L590	Q582-E586 WeakPolarHBondContact O-CB 3.17Å; Q582-E586 WeakPolarHBondContact O-CG 3.28Å; Q582-E586 PolarHBondContact O-N 2.78Å; S583-E586 PolarHBondContact O-N 2.91Å; E586-G589 PolarHBondContact O-N 3.39Å; E586-L590 WeakPolarHBondContact O-CG 3.34Å; E586-L590 PolarHBondContact O-N 3.22Å
587	Y	43.6	Very low	47	Very low	153 Å²	153	89.6 Å²	89.6	60%	0.6	49%	0.494	S	S	*	.	H	α-helix	trans	-66.8	-40.9	178.4	-161.8	-93.4	0	0	0	112.2	S583 A584 G589 L590 Q591	S583-Y587 VanDerWaalsContact O-CB 3.31Å; S583-Y587 WeakPolarHBondContact O-CB 3.34Å; S583-Y587 PolarHBondContact O-N 2.77Å; A584-Y587 PolarHBondContact O-N 3.43Å; Y587-G589 VanDerWaalsContact C-N 3.31Å; Y587-G589 PolarHBondContact O-N 3.17Å; Y587-L590 PolarHBondContact O-N 2.88Å; Y587-Q591 HydrophobicContact CD1-CG 4.29Å; Y587-Q591 HydrophobicContact CE1-CG 4.14Å; Y587-Q591 PolarHBondContact O-N 2.71Å
588	A	43.8	Very low	45.8	Very low	48 Å²	48	98 Å²	98	40%	0.397	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-39.3	172.7	0	0	0	0	0	111.3	A584 E585 L590 Q591 I592	A584-A588 WeakPolarHBondContact O-CB 3.29Å; A584-A588 PolarHBondContact O-N 3.16Å; E585-A588 PolarHBondContact O-N 3.08Å; A588-L590 VanDerWaalsContact C-N 3.34Å; A588-L590 PolarHBondContact O-N 3.48Å; A588-Q591 PolarHBondContact O-N 3.38Å; A588-I592 WeakPolarHBondContact O-CG1 3.15Å; A588-I592 PolarHBondContact O-N 3.35Å
589	G	41.1	Very low	44.4	Very low	35 Å²	35	99.9 Å²	99.9	36%	0.361	55%	0.553	S	S	.	*	H	α-helix	trans	-63.5	-35.4	174	0	0	0	0	0	113.7	E585 E586 Y587	E585-G589 PolarHBondContact O-N 3.28Å; E586-G589 PolarHBondContact O-N 3.39Å; Y587-G589 VanDerWaalsContact C-N 3.31Å; Y587-G589 PolarHBondContact O-N 3.17Å
590	L	46	Very low	42.8	Very low	91 Å²	91	104.3 Å²	104.3	48%	0.476	58%	0.577	S	S	.	*	H	α-helix	trans	-72.1	-41.3	176.4	-73.4	168.3	0	0	0	112.4	E586 Y587 A588 I592 K593 D594	E586-L590 WeakPolarHBondContact O-CG 3.34Å; E586-L590 PolarHBondContact O-N 3.22Å; Y587-L590 PolarHBondContact O-N 2.88Å; A588-L590 VanDerWaalsContact C-N 3.34Å; A588-L590 PolarHBondContact O-N 3.48Å; L590-I592 PolarHBondContact O-N 3.38Å; L590-K593 CarbonylContact O-C 3.51Å; L590-K593 WeakPolarHBondContact O-CA 3.39Å; L590-K593 PolarHBondContact O-N 2.87Å; L590-D594 PolarHBondContact O-N 2.96Å
591	Q	43.6	Very low	41.7	Very low	105 Å²	105	108.6 Å²	108.6	49%	0.491	61%	0.605	S	S	.	*	H	α-helix	trans	-58.6	-34.2	175.6	-76.4	-80.3	-1.8	0	0	112.8	Y587 A588 K593 S595	Y587-Q591 HydrophobicContact CD1-CG 4.29Å; Y587-Q591 HydrophobicContact CE1-CG 4.14Å; Y587-Q591 PolarHBondContact O-N 2.71Å; A588-Q591 PolarHBondContact O-N 3.38Å; Q591-K593 VanDerWaalsContact C-N 3.3Å; Q591-K593 PolarHBondContact O-N 2.77Å; Q591-S595 PolarHBondContact O-OG 3.25Å
592	I	43.4	Very low	40.4	Very low	142 Å²	142	114.7 Å²	114.7	73%	0.728	64%	0.638	S	S	*	*	H	α-helix	trans	-70.4	-27.7	176.1	-62.3	168.9	0	0	0	111.3	A588 L590	A588-I592 WeakPolarHBondContact O-CG1 3.15Å; A588-I592 PolarHBondContact O-N 3.35Å; L590-I592 PolarHBondContact O-N 3.38Å
593	K	46.7	Very low	39.1	Very low	174 Å²	174	116.7 Å²	116.7	76%	0.757	65%	0.649	S	S	*	*	H	α-helix	trans	-87	-34.4	176.1	-77.7	-177.3	177	176	0	113.5	L590 Q591 S595	L590-K593 CarbonylContact O-C 3.51Å; L590-K593 WeakPolarHBondContact O-CA 3.39Å; L590-K593 PolarHBondContact O-N 2.87Å; Q591-K593 VanDerWaalsContact C-N 3.3Å; Q591-K593 PolarHBondContact O-N 2.77Å; K593-S595 PolarHBondContact O-N 2.93Å
594	D	38.2	Very low	38.1	Very low	116 Å²	116	120.5 Å²	120.5	62%	0.62	67%	0.666	S	S	*	*	S	Bend	trans	-88.9	24.4	-175.8	-71.7	-22	0	0	0	113.7	L590 P596	L590-D594 PolarHBondContact O-N 2.96Å; D594-P596 WeakPolarHBondContact O-CD 3.18Å
595	S	27.3	Very low	37.1	Very low	97 Å²	97	127.5 Å²	127.5	68%	0.678	69%	0.69	S	S	*	*			trans	-95	65.9	161.7	-65.8	0	0	0	0	112.4	Q591 K593	Q591-S595 PolarHBondContact O-OG 3.25Å; K593-S595 PolarHBondContact O-N 2.93Å
596	P	36.6	Very low	36.1	Very low	101 Å²	101	123.8 Å²	123.8	66%	0.656	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-86.8	137.4	156.9	34.7	-26.8	0	0	0	109.2	D594 K598	D594-P596 WeakPolarHBondContact O-CD 3.18Å; P596-K598 PolarHBondContact O-N 3.48Å; P596-K598 VanDerWaalsContact O-N 3.11Å
597	A	34.1	Very low	35.3	Very low	104 Å²	104	125.1 Å²	125.1	86%	0.86	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-47.7	117.6	175.4	0	0	0	0	0	111.5	A599	A597-A599 PolarHBondContact O-N 2.95Å
598	K	33.4	Very low	34.5	Very low	201 Å²	201	124.2 Å²	124.2	87%	0.874	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-49.4	117.5	173.3	-82.1	171.9	172.6	171.8	0	111.3	P596	P596-K598 PolarHBondContact O-N 3.48Å; P596-K598 VanDerWaalsContact O-N 3.11Å
599	A	31.1	Very low	33.8	Very low	96 Å²	96	128.7 Å²	128.7	79%	0.793	71%	0.709	S	S	*	*			trans	-113.3	113.4	151.8	0	0	0	0	0	107.7	A597	A597-A599 PolarHBondContact O-N 2.95Å
600	L	26	Very low	33.5	Very low	159 Å²	159	132.9 Å²	132.9	83%	0.832	72%	0.724	S	S	*	*			trans	-73.7	121.2	178.5	-77.6	125.9	0	0	0	110.8
601	T	30.3	Very low	32.9	Very low	139 Å²	139	132.2 Å²	132.2	85%	0.853	72%	0.72	S	S	*	*			trans	-149.6	115	157.2	44.5	0	0	0	0	112.6
602	N	27.9	Very low	32.5	Very low	148 Å²	148	136.7 Å²	136.7	79%	0.791	74%	0.741	S	S	*	*			trans	-28.6	145.6	160.5	-55.1	-29.8	0	0	0	117.9
603	M	29.8	Very low	32	Very low	166 Å²	166	134.3 Å²	134.3	82%	0.818	74%	0.737	S	S	*	*				161	137.3	110.1	-84.3	-160.9	157.4	0	0	114.8
604	D	29.5	Very low	31.5	Very low	133 Å²	133	129.3 Å²	129.3	71%	0.711	72%	0.718	S	S	*	*			trans	44.5	118	148.2	-64.6	-12.4	0	0	0	121.3
605	E	27.8	Very low	31.3	Very low	195 Å²	195	128.1 Å²	128.1	91%	0.911	71%	0.709	S	S	*	*				69.8	114	65.8	-71.4	-160.6	-177.3	0	0	116.2
606	G	27.2	Very low	31.8	Very low	54 Å²	54	127.8 Å²	127.8	56%	0.557	70%	0.703	S	S	*	*			trans	146.8	120.7	165.3	0	0	0	0	0	116.4	K121	K121-G606 PolarHBondContact NZ-O 3.43Å
607	E	33.3	Very low	31.8	Very low	170 Å²	170	128.8 Å²	128.8	79%	0.794	70%	0.703	S	S	*	*			trans	61.8	125	155.4	-58.2	179	165.5	0	0	118.6	K121	K121-E607 PolarHBondContact NZ-O 2.73Å; K121-E607 VanDerWaalsContact NZ-O 3.1Å
608	N	27.6	Very low	31.7	Very low	134 Å²	134	128.5 Å²	128.5	72%	0.717	69%	0.686	S	S	*	*			cis	90.8	118.3	26.7	-144.9	2.6	0	0	0	114.6
609	K	29.5	Very low	31.7	Very low	142 Å²	142	124.5 Å²	124.5	62%	0.617	67%	0.671	S	S	*	*			trans	84.3	97.5	170.2	-53.4	-173.8	179.3	-175.9	0	117.1
610	D	33.9	Very low	32.1	Very low	124 Å²	124	124.5 Å²	124.5	66%	0.663	66%	0.657	S	S	*	*				147.3	92	118.6	-73.1	-20.7	0	0	0	109.4	E122	E122-D610 PolarHBondContact OE1-N 2.84Å
611	N	34.6	Very low	32.4	Very low	76 Å²	76	124 Å²	124	41%	0.406	65%	0.653	S	S	.	*			trans	-171.9	71.1	153.5	-95.4	-25.8	0	0	0	113.5	S613 I614	N611-S613 PolarHBondContact O-N 2.78Å; N611-I614 HydrophobicContact CB-CD1 4.27Å
612	E	33.7	Very low	32.6	Very low	199 Å²	199	123.8 Å²	123.8	93%	0.93	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-1.6	164.6	-82.6	179.8	158.6	0	0	114.4
613	S	34.2	Very low	33	Very low	92 Å²	92	118.9 Å²	118.9	64%	0.643	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-4.2	-175.1	-168.9	0	0	0	0	116	N611	N611-S613 PolarHBondContact O-N 2.78Å
614	I	35.4	Very low	33.1	Very low	70 Å²	70	116.2 Å²	116.2	36%	0.359	60%	0.603	S	S	.	*	S	Bend	trans	-103.5	-17.4	-177.1	-57.4	173.2	0	0	0	112.3	P119 N611 T616 N617	P119-I614 HydrophobicContact CB-CB 4.42Å; P119-I614 HydrophobicContact CB-CD1 4.01Å; P119-I614 HydrophobicContact CB-CG2 4.21Å; P119-I614 HydrophobicContact CG-CD1 3.49Å; P119-I614 VanDerWaalsContact CG-CD1 3.49Å; N611-I614 HydrophobicContact CB-CD1 4.27Å; I614-T616 PolarHBondContact O-N 3.07Å; I614-N617 PolarHBondContact O-N 3.17Å
615	Q	34.4	Very low	33.3	Very low	90 Å²	90	115.3 Å²	115.3	42%	0.421	60%	0.598	S	S	.	*	H	α-helix	trans	-57.6	-15.1	177.1	-78.1	-103.6	-29.4	0	0	114.2	T126	T126-Q615 VanDerWaalsContact CG2-NE2 3.26Å; T126-Q615 PolarHBondContact OG1-NE2 3.25Å
616	T	38	Very low	33.8	Very low	91 Å²	91	110.6 Å²	110.6	56%	0.558	58%	0.575	S	S	*	*	H	α-helix	trans	-78.7	-17	175.8	48	0	0	0	0	114.5	I614 N620	I614-T616 PolarHBondContact O-N 3.07Å; T616-N620 PolarHBondContact O-ND2 2.73Å
617	N	35.9	Very low	34.1	Very low	121 Å²	121	110.3 Å²	110.3	65%	0.647	56%	0.56	S	S	*	*	H	α-helix	trans	-94.2	-31.2	-173	-91.6	-24.8	0	0	0	115.4	I614	I614-N617 PolarHBondContact O-N 3.17Å
618	L	32.8	Very low	34.1	Very low	98 Å²	98	106.8 Å²	106.8	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-86.9	-35.2	-177	-105.1	136.9	0	0	0	113.6	Y123 N620 M621	Y123-L618 HydrophobicContact CE1-CD2 4.38Å; Y123-L618 HydrophobicContact CE2-CB 4.24Å; L618-N620 PolarHBondContact O-N 3.46Å; L618-N620 VanDerWaalsContact O-N 3.13Å; L618-M621 PolarHBondContact O-N 3.4Å; L618-M621 VanDerWaalsContact O-N 3.12Å
619	H	33.6	Very low	34.4	Very low	118 Å²	118	106.4 Å²	106.4	55%	0.546	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.2	176	-168.7	61.5	0	0	0	113
620	N	38.1	Very low	34.5	Very low	95 Å²	95	103.8 Å²	103.8	51%	0.508	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-8.6	173.8	-77.6	-28.4	0	0	0	114.5	T616 L618 K626	T616-N620 PolarHBondContact O-ND2 2.73Å; L618-N620 PolarHBondContact O-N 3.46Å; L618-N620 VanDerWaalsContact O-N 3.13Å; N620-K626 PolarHBondContact OD1-NZ 3.37Å
621	M	33.7	Very low	34.3	Very low	150 Å²	150	103 Å²	103	74%	0.739	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-26.4	-172.6	-78.8	-133	71.8	0	0	115.5	L618	L618-M621 PolarHBondContact O-N 3.4Å; L618-M621 VanDerWaalsContact O-N 3.12Å
622	L	33.7	Very low	34.3	Very low	134 Å²	134	105.1 Å²	105.1	70%	0.702	55%	0.55	S	S	*	.	S	Bend	trans	-140.3	28.3	-173.6	-81.2	163.2	0	0	0	113.9	F624	L622-F624 PolarHBondContact O-N 2.79Å; L622-F624 VanDerWaalsContact O-N 3.1Å
623	D	37.4	Very low	34.1	Very low	45 Å²	45	100 Å²	100	24%	0.241	54%	0.537	C	S	.	.			trans	-80.5	91.5	171.5	-163.6	2.5	0	0	0	108.9	N625 K626 L627	D623-N625 PolarHBondContact O-N 3.42Å; D623-K626 HydrophobicContact CB-CB 4.36Å; D623-K626 HydrophobicContact CB-CD 4.4Å; D623-K626 HydrophobicContact CB-CG 4.27Å; D623-K626 PolarHBondContact O-N 2.67Å; D623-L627 PolarHBondContact O-N 2.95Å
624	F	29.9	Very low	33.9	Very low	109 Å²	109	100.8 Å²	100.8	48%	0.478	53%	0.532	S	S	.	.	H	α-helix	trans	-50.1	-28.9	178	-84.9	-86.9	0	0	0	112.2	I580 L622 K626 L627 F628	I580-F624 HydrophobicContact CD1-CD1 4.33Å; I580-F624 HydrophobicContact CD1-CE1 3.8Å; I580-F624 HydrophobicContact CG1-CE1 3.99Å; L622-F624 PolarHBondContact O-N 2.79Å; L622-F624 VanDerWaalsContact O-N 3.1Å; F624-K626 VanDerWaalsContact C-N 3.35Å; F624-K626 PolarHBondContact O-N 3.25Å; F624-L627 PolarHBondContact O-N 2.81Å; F624-F628 VanDerWaalsContact O-CD2 3.28Å; F624-F628 WeakPolarHBondContact O-CD2 3.35Å
625	N	35	Very low	33.6	Very low	114 Å²	114	106.4 Å²	106.4	61%	0.61	55%	0.554	S	S	*	*	H	α-helix	trans	-71.6	-25.8	177.5	-66.5	-42.5	0	0	0	113.6	D623 N629	D623-N625 PolarHBondContact O-N 3.42Å; N625-N629 WeakPolarHBondContact O-CB 3.1Å; N625-N629 PolarHBondContact O-N 3.23Å; N625-N629 PolarHBondContact O-ND2 3.03Å
626	K	38.8	Very low	33.3	Very low	97 Å²	97	111 Å²	111	42%	0.422	58%	0.575	S	S	.	*	H	α-helix	trans	-79.5	-29.3	174.6	-76.4	-173.1	-174.4	178	0	113	N620 D623 F624 F628	N620-K626 PolarHBondContact OD1-NZ 3.37Å; D623-K626 HydrophobicContact CB-CB 4.36Å; D623-K626 HydrophobicContact CB-CD 4.4Å; D623-K626 HydrophobicContact CB-CG 4.27Å; D623-K626 PolarHBondContact O-N 2.67Å; F624-K626 VanDerWaalsContact C-N 3.35Å; F624-K626 PolarHBondContact O-N 3.25Å; K626-F628 VanDerWaalsContact C-N 3.31Å; K626-F628 PolarHBondContact O-N 2.94Å
627	L	32.7	Very low	32.8	Very low	47 Å²	47	117.3 Å²	117.3	25%	0.246	59%	0.589	C	S	.	*	H	α-helix	trans	-61.8	-41.4	174.4	-88.3	158.6	0	0	0	110.8	N576 I579 D623 F624	N576-L627 PolarHBondContact ND2-O 3.37Å; N576-L627 WeakPolarHBondContact OD1-CD2 3.43Å; N576-L627 PolarHBondContact OD1-O 2.85Å; I579-L627 HydrophobicContact CD1-CD2 4.16Å; D623-L627 PolarHBondContact O-N 2.95Å; F624-L627 PolarHBondContact O-N 2.81Å
628	F	32.9	Very low	32.4	Very low	97 Å²	97	120.1 Å²	120.1	43%	0.425	60%	0.598	S	S	.	*	H	α-helix	trans	-83.4	-17.8	-178.5	-69.8	-73.7	0	0	0	115.2	D573 N576 F624 K626	D573-F628 HydrophobicContact CB-CE1 4.46Å; D573-F628 VanDerWaalsContact OD1-CD1 3.3Å; D573-F628 WeakPolarHBondContact OD1-CD1 3.24Å; D573-F628 WeakPolarHBondContact OD1-CE1 3.43Å; N576-F628 HydrophobicContact CB-CE1 4.1Å; N576-F628 HydrophobicContact CB-CZ 4.25Å; N576-F628 WeakPolarHBondContact ND2-CD1 3.25Å; F624-F628 VanDerWaalsContact O-CD2 3.28Å; F624-F628 WeakPolarHBondContact O-CD2 3.35Å; K626-F628 VanDerWaalsContact C-N 3.31Å; K626-F628 PolarHBondContact O-N 2.94Å
629	N	34.4	Very low	32.1	Very low	125 Å²	125	122.4 Å²	122.4	67%	0.668	61%	0.609	S	S	*	*	H	α-helix	trans	-115.3	13.2	-168.7	-71.9	-37.6	0	0	0	116.5	N625	N625-N629 WeakPolarHBondContact O-CB 3.1Å; N625-N629 PolarHBondContact O-N 3.23Å; N625-N629 PolarHBondContact O-ND2 3.03Å
630	N	31.4	Very low	31.8	Very low	87 Å²	87	122.9 Å²	122.9	47%	0.465	62%	0.62	S	S	.	*			trans	-125	94.4	-178.6	-150	-8.4	0	0	0	114	V632	N630-V632 VanDerWaalsContact C-N 3.35Å; N630-V632 PolarHBondContact O-N 3.23Å
631	P	30.6	Very low	31.4	Very low	108 Å²	108	125.5 Å²	125.5	70%	0.701	63%	0.633	S	S	*	*	S	Bend	trans	-76.2	-11.2	-175.5	-13.1	27.8	0	0	0	115.4
632	V	33.3	Very low	31.3	Very low	120 Å²	120	124.8 Å²	124.8	73%	0.727	63%	0.632	S	S	*	*	S	Bend	trans	-113.8	-17.1	-160.1	-176.9	0	0	0	0	114.6	N630	N630-V632 VanDerWaalsContact C-N 3.35Å; N630-V632 PolarHBondContact O-N 3.23Å
633	S	30.4	Very low	30.9	Very low	93 Å²	93	123.6 Å²	123.6	65%	0.65	64%	0.635	S	S	*	*	S	Bend	trans	-92.4	-4	-167.8	-156.5	0	0	0	0	117
634	I	30.5	Very low	30.5	Very low	108 Å²	108	134.8 Å²	134.8	55%	0.554	68%	0.682	S	S	*	*	S	Bend	trans	-97.7	-12.9	-175	-58.9	175.1	0	0	0	112.7	H636	I634-H636 PolarHBondContact O-N 2.97Å
635	F	27.3	Very low	30.6	Very low	187 Å²	187	136.1 Å²	136.1	82%	0.82	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	2.5	-179.3	-109.8	-80.1	0	0	0	115.7
636	H	28.4	Very low	30.3	Very low	186 Å²	186	137.3 Å²	137.3	86%	0.861	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	11.7	-174.2	-93.4	27.6	0	0	0	116.6	I634	I634-H636 PolarHBondContact O-N 2.97Å
637	R	28.4	Very low	29.9	Very low	224 Å²	224	139.5 Å²	139.5	85%	0.845	71%	0.712	S	S	*	*	S	Bend	trans	-116.6	-8.4	178.1	-107.8	-179.3	-178	178.2	0.8	119.1
638	H	27.9	Very low	29.7	Very low	180 Å²	180	144.9 Å²	144.9	83%	0.833	74%	0.74	S	S	*	*	S	Bend	trans	-145.4	57.8	-178.4	-80.9	-45.9	0	0	0	115.7
639	I	26.8	Very low	29.5	Very low	146 Å²	146	147.9 Å²	147.9	75%	0.749	76%	0.759	S	S	*	*			trans	-142.7	75.7	147.7	-52.7	-179.5	0	0	0	108.5	I641	I639-I641 HydrophobicContact CG2-CD1 4.33Å; I639-I641 HydrophobicContact CG2-CG1 4.21Å
640	T	26.7	Very low	29.2	Very low	128 Å²	128	149.5 Å²	149.5	79%	0.785	77%	0.765	S	S	*	*			trans	-109.3	71.7	149.1	-16	0	0	0	0	104.8	N642	T640-N642 PolarHBondContact O-N 2.96Å
641	I	30.2	Very low	29	Very low	150 Å²	150	153.9 Å²	153.9	77%	0.769	79%	0.787	S	S	*	*			trans	-73.2	95	164.3	-65.4	174.4	0	0	0	104.2	I639 S643	I639-I641 HydrophobicContact CG2-CD1 4.33Å; I639-I641 HydrophobicContact CG2-CG1 4.21Å; I641-S643 PolarHBondContact O-N 3.42Å
642	N	30.9	Very low	28.9	Very low	135 Å²	135	157.5 Å²	157.5	72%	0.722	79%	0.793	S	S	*	*			trans	-51.5	120.3	164.5	-83.3	-42.9	0	0	0	107.7	T640 F644	T640-N642 PolarHBondContact O-N 2.96Å; N642-F644 PolarHBondContact O-N 3.01Å
643	S	25.7	Very low	28.5	Very low	109 Å²	109	160.6 Å²	160.6	76%	0.762	80%	0.799	S	S	*	*			trans	-53.4	113.3	161.3	54.1	0	0	0	0	109.5	I641	I641-S643 PolarHBondContact O-N 3.42Å
644	F	29.3	Very low	28.4	Very low	281 Å²	281	166.7 Å²	166.7	100%	1.232	81%	0.812	S	S	*	*			trans	-137.2	0	143.7	-108.2	-74.8	0	0	0	108.5	N642	N642-F644 PolarHBondContact O-N 3.01Å

Retrieved 644 of 644 residues in 382.9 ms (Link to these results)

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