A0A077Z6V3_TRITR Loading...

Non-lysosomal glucosylceramidase

AlphaFold DB , UniProt , Accession A0A077Z6V3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 516 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	W	42.8	Very low	58	Low	241 Å²	241	140 Å²	140	91%	0.913	76%	0.764	S	S	*	*				0	-55.2	0	-73.6	93.1	0	0	0	113	R3 L4 F5	W1-R3 PolarHBondContact O-N 3.18Å; W1-L4 PolarHBondContact O-N 2.86Å; W1-F5 HydrophobicContact CE3-CD2 4.34Å; W1-F5 AromaticContact CE3-CE2 3.71Å; W1-F5 HydrophobicContact CE3-CE2 3.71Å; W1-F5 AromaticContact CZ3-CE2 3.72Å; W1-F5 HydrophobicContact CZ3-CE2 3.72Å; W1-F5 HydrophobicContact CZ3-CZ 4.32Å
2	G	48	Very low	60.3	Low	74 Å²	74	141.8 Å²	141.8	76%	0.763	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	2.6	178.8	0	0	0	0	0	118.8
3	R	50.9	Low	62.7	Low	246 Å²	246	138.6 Å²	138.6	93%	0.928	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-7	168.8	-76.4	-171.9	-176.4	-173.2	1.1	113.4	W1	W1-R3 PolarHBondContact O-N 3.18Å
4	L	55.9	Low	64.8	Low	133 Å²	133	136.8 Å²	136.8	70%	0.696	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-9.2	-177.7	-74.1	163.5	0	0	0	113	W1	W1-L4 PolarHBondContact O-N 2.86Å
5	F	56.2	Low	66.7	Low	121 Å²	121	135.1 Å²	135.1	53%	0.531	77%	0.766	S	S	.	*			trans	-134.2	92.4	178.6	-62.5	-82.7	0	0	0	108.6	W1 S7	W1-F5 HydrophobicContact CE3-CD2 4.34Å; W1-F5 AromaticContact CE3-CE2 3.71Å; W1-F5 HydrophobicContact CE3-CE2 3.71Å; W1-F5 AromaticContact CZ3-CE2 3.72Å; W1-F5 HydrophobicContact CZ3-CE2 3.72Å; W1-F5 HydrophobicContact CZ3-CZ 4.32Å; F5-S7 PolarHBondContact O-N 3.38Å; F5-S7 VanDerWaalsContact O-N 3.08Å
6	P	53.5	Low	68.2	Low	138 Å²	138	129 Å²	129	90%	0.896	74%	0.743	S	S	*	*	S	Bend	trans	-69.9	-1.7	-170.5	-17.4	31.2	0	0	0	115.2
7	S	53.3	Low	69.7	Low	79 Å²	79	128.7 Å²	128.7	55%	0.552	74%	0.744	S	S	*	*	S	Bend	trans	-134.2	120.3	160.6	52.3	0	0	0	0	107.2	F5 Q9	F5-S7 PolarHBondContact O-N 3.38Å; F5-S7 VanDerWaalsContact O-N 3.08Å; S7-Q9 PolarHBondContact O-N 2.82Å
8	C	56.7	Low	71.1	Confident	106 Å²	106	125.7 Å²	125.7	72%	0.716	73%	0.728	S	S	*	*			trans	-64	94.4	158.9	-85.3	0	0	0	0	105.9	N10	C8-N10 PolarHBondContact O-N 3.27Å
9	Q	64.2	Low	72.4	Confident	177 Å²	177	127.7 Å²	127.7	83%	0.827	74%	0.736	S	S	*	*			trans	-63.4	109	163.7	-74	-174	-17.1	0	0	106.4	S7 G11	S7-Q9 PolarHBondContact O-N 2.82Å; Q9-G11 PolarHBondContact O-N 3.15Å
10	N	76.3	Confident	73.6	Confident	149 Å²	149	125.6 Å²	125.6	80%	0.797	72%	0.724	S	S	*	*			trans	-71.8	110.8	177.8	-68.2	-27.5	0	0	0	108.1	C8	C8-N10 PolarHBondContact O-N 3.27Å
11	G	80.4	Confident	74.6	Confident	76 Å²	76	122.4 Å²	122.4	78%	0.784	71%	0.714	S	S	*	*			trans	-91.8	138.6	164	0	0	0	0	0	109.7	Q9	Q9-G11 PolarHBondContact O-N 3.15Å
12	I	85.5	Confident	77.2	Confident	162 Å²	162	117 Å²	117	83%	0.831	71%	0.709	S	S	*	*			trans	-108.9	136.6	175.1	-59.8	173.6	0	0	0	108	V14	I12-V14 HydrophobicContact CG2-CG2 4.4Å
13	A	91.5	Very high	79.5	Confident	100 Å²	100	120.2 Å²	120.2	83%	0.826	72%	0.72	S	S	*	*			trans	-118.2	133.5	171	0	0	0	0	0	109.3
14	V	91.6	Very high	81.7	Confident	113 Å²	113	111.1 Å²	111.1	69%	0.685	69%	0.694	S	S	*	*			trans	-115.4	132	174.7	-177.1	0	0	0	0	108	I12 F30	I12-V14 HydrophobicContact CG2-CG2 4.4Å; V14-F30 HydrophobicContact CG1-CD1 4.47Å; V14-F30 HydrophobicContact CG1-CE1 4.21Å
15	C	93.8	Very high	83.5	Confident	111 Å²	111	112.9 Å²	112.9	75%	0.75	70%	0.702	S	S	*	*			trans	-129.9	135.6	-178	-176.7	0	0	0	0	110.5
16	G	91.6	Very high	85.4	Confident	38 Å²	38	109.5 Å²	109.5	39%	0.392	70%	0.697	S	S	.	*			trans	-114.6	129.1	168.5	0	0	0	0	0	109.7
17	T	93.8	Very high	87.2	Confident	124 Å²	124	110.1 Å²	110.1	76%	0.761	69%	0.685	S	S	*	*			trans	-117.6	129.6	179.2	-60	0	0	0	0	109.9
18	V	94.5	Very high	89.1	Confident	74 Å²	74	109.3 Å²	109.3	45%	0.448	68%	0.677	S	S	.	*			trans	-136	142.8	176.3	-63.2	0	0	0	0	110.2	V20 A26 V28	V18-V20 HydrophobicContact CG2-CG2 4.23Å; V18-A26 HydrophobicContact CB-CB 4.39Å; V18-A26 HydrophobicContact CG2-CB 3.85Å; V18-V28 HydrophobicContact CB-CG2 4.48Å; V18-V28 HydrophobicContact CG1-CG2 3.69Å; V18-V28 HydrophobicContact CG2-CG2 3.91Å
19	N	95.1	Very high	90.8	Very high	165 Å²	165	106.3 Å²	106.3	88%	0.882	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-94.4	121.8	171	-70	-38	0	0	0	109.1
20	V	96.1	Very high	92.3	Very high	84 Å²	84	104 Å²	104	51%	0.509	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-101.4	118.9	-178.1	-170.5	0	0	0	0	109.5	V18 S24 A26	V18-V20 HydrophobicContact CG2-CG2 4.23Å; V20-S24 VanDerWaalsContact CG1-O 3.28Å; V20-S24 WeakPolarHBondContact CG1-O 3.31Å; V20-S24 WeakPolarHBondContact CG1-OG 3.46Å; V20-A26 HydrophobicContact CG2-CB 3.79Å
21	A	96	Very high	93.2	Very high	60 Å²	60	99.1 Å²	99.1	50%	0.496	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-70.2	157	177.1	0	0	0	0	0	111.5	S23 S24	A21-S23 PolarHBondContact O-N 3.09Å; A21-S24 WeakPolarHBondContact CA-OG 3.37Å; A21-S24 PolarHBondContact N-OG 3.19Å; A21-S24 WeakPolarHBondContact O-CB 3.39Å; A21-S24 PolarHBondContact O-N 2.65Å; A21-S24 VanDerWaalsContact O-N 3.1Å; A21-S24 PolarHBondContact O-OG 2.59Å
22	P	97.2	Very high	93.9	Very high	127 Å²	127	102.2 Å²	102.2	83%	0.825	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.8	135.9	173.9	-26	34.7	0	0	0	111.8	S24	P22-S24 PolarHBondContact O-N 3.32Å
23	S	95.8	Very high	94.4	Very high	142 Å²	142	95.8 Å²	95.8	99%	0.993	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.2	24.9	-179.1	-55.2	0	0	0	0	115.2	A21	A21-S23 PolarHBondContact O-N 3.09Å
24	S	96.6	Very high	94.5	Very high	54 Å²	54	99.4 Å²	99.4	38%	0.378	58%	0.584	S	S	.	*			trans	-116.8	163.6	174.4	74.8	0	0	0	0	112.5	V20 A21 P22	V20-S24 VanDerWaalsContact CG1-O 3.28Å; V20-S24 WeakPolarHBondContact CG1-O 3.31Å; V20-S24 WeakPolarHBondContact CG1-OG 3.46Å; A21-S24 WeakPolarHBondContact CA-OG 3.37Å; A21-S24 PolarHBondContact N-OG 3.19Å; A21-S24 WeakPolarHBondContact O-CB 3.39Å; A21-S24 PolarHBondContact O-N 2.65Å; A21-S24 VanDerWaalsContact O-N 3.1Å; A21-S24 PolarHBondContact O-OG 2.59Å; P22-S24 PolarHBondContact O-N 3.32Å
25	I	94.9	Very high	94.7	Very high	170 Å²	170	95.7 Å²	95.7	87%	0.872	56%	0.56	S	S	*	*			trans	-120.4	135.2	176.7	-61.5	171.9	0	0	0	107.7
26	A	94.6	Very high	94.7	Very high	50 Å²	50	96.3 Å²	96.3	41%	0.413	55%	0.553	S	S	.	*			trans	-119.7	148.1	167.9	0	0	0	0	0	109.7	V18 V20	V18-A26 HydrophobicContact CB-CB 4.39Å; V18-A26 HydrophobicContact CG2-CB 3.85Å; V20-A26 HydrophobicContact CG2-CB 3.79Å
27	K	91.6	Very high	94.9	Very high	151 Å²	151	96.1 Å²	96.1	66%	0.657	55%	0.545	S	S	*	.			trans	-118.7	134.1	176.9	-173.7	-176.3	176.1	-164.9	0	108.9	S29 E73	K27-S29 WeakPolarHBondContact CE-OG 3.01Å; K27-E73 IonicContact NZ-OE1 2.68Å; K27-E73 PolarHBondContact NZ-OE1 2.7Å; K27-E73 IonicContact NZ-OE2 3.78Å
28	V	92.8	Very high	95	Very high	62 Å²	62	95.4 Å²	95.4	38%	0.376	53%	0.533	S	S	.	.			trans	-122.1	121.5	167.8	-176.8	0	0	0	0	106.7	V18 F30	V18-V28 HydrophobicContact CB-CG2 4.48Å; V18-V28 HydrophobicContact CG1-CG2 3.69Å; V18-V28 HydrophobicContact CG2-CG2 3.91Å; V28-F30 HydrophobicContact CB-CE2 4.32Å; V28-F30 HydrophobicContact CG1-CD2 4.24Å; V28-F30 HydrophobicContact CG1-CE2 3.53Å; V28-F30 HydrophobicContact CG1-CZ 3.9Å
29	S	92.7	Very high	95	Very high	44 Å²	44	92.8 Å²	92.8	31%	0.308	52%	0.517	S	S	.	.			trans	-99.6	140.4	178	-63.8	0	0	0	0	110.1	K27 E73	K27-S29 WeakPolarHBondContact CE-OG 3.01Å; S29-E73 PolarHBondContact OG-OE2 3.05Å
30	F	95.3	Very high	94.9	Very high	127 Å²	127	93.3 Å²	93.3	56%	0.557	51%	0.506	S	S	*	.			trans	-121.7	151.9	171.7	-67.8	-94.5	0	0	0	109.1	V14 V28	V14-F30 HydrophobicContact CG1-CD1 4.47Å; V14-F30 HydrophobicContact CG1-CE1 4.21Å; V28-F30 HydrophobicContact CB-CE2 4.32Å; V28-F30 HydrophobicContact CG1-CD2 4.24Å; V28-F30 HydrophobicContact CG1-CE2 3.53Å; V28-F30 HydrophobicContact CG1-CZ 3.9Å
31	C	95.4	Very high	94.8	Very high	47 Å²	47	89.6 Å²	89.6	32%	0.318	48%	0.484	S	S	.	.			trans	-133.3	140.4	175.2	-175.4	0	0	0	0	108.6	A69 F70	C31-A69 VanDerWaalsContact SG-CB 3.54Å; C31-F70 HydrophobicContact CB-CD2 4.2Å; C31-F70 HydrophobicContact CB-CE1 3.91Å; C31-F70 HydrophobicContact CB-CE2 3.54Å; C31-F70 HydrophobicContact CB-CZ 3.39Å
32	L	95.3	Very high	94.3	Very high	141 Å²	141	90.5 Å²	90.5	74%	0.738	49%	0.486	S	S	*	.			trans	-120	129.1	169.2	175.5	64.4	0	0	0	107.2	W34	L32-W34 HydrophobicContact CD2-CE3 4.48Å; L32-W34 HydrophobicContact CD2-CZ3 4.23Å; L32-W34 HydrophobicContact CG-CE3 4.19Å; L32-W34 HydrophobicContact CG-CZ3 4.17Å
33	A	95.4	Very high	93.1	Very high	28 Å²	28	92 Å²	92	23%	0.231	49%	0.487	C	S	.	.			trans	-133.3	151.9	172.4	0	0	0	0	0	109.5	L65	A33-L65 HydrophobicContact CB-CB 3.67Å; A33-L65 HydrophobicContact CB-CD1 4.44Å
34	W	94	Very high	92.1	Very high	176 Å²	176	88.2 Å²	88.2	67%	0.667	46%	0.458	S	S	*	.			trans	-127.9	125.5	174.6	47.4	89.6	0	0	0	108.9	L32	L32-W34 HydrophobicContact CD2-CE3 4.48Å; L32-W34 HydrophobicContact CD2-CZ3 4.23Å; L32-W34 HydrophobicContact CG-CE3 4.19Å; L32-W34 HydrophobicContact CG-CZ3 4.17Å
35	D	95.7	Very high	91.2	Very high	34 Å²	34	88.8 Å²	88.8	18%	0.182	47%	0.472	C	S	.	.			trans	-99.8	95.3	172.9	-173.3	26.9	0	0	0	108.3	Y52 N61 A62 L65	D35-Y52 WeakPolarHBondContact OD1-CE2 3.35Å; D35-Y52 PolarHBondContact OD1-OH 3.17Å; D35-N61 WeakPolarHBondContact OD2-CB 3.38Å; D35-N61 PolarHBondContact OD2-N 2.79Å; D35-A62 HydrophobicContact CB-CB 4.11Å; D35-L65 HydrophobicContact CB-CD1 4.21Å
36	M	95.2	Very high	91	Very high	125 Å²	125	82.1 Å²	82.1	62%	0.616	44%	0.436	S	S	*	.			trans	-127.1	71.6	178.1	-67.2	-174.9	178.6	0	0	108.6	H38 R50 Y52	M36-H38 VanDerWaalsContact C-N 3.33Å; M36-H38 PolarHBondContact O-N 3.06Å; M36-R50 VanDerWaalsContact O-CD 3.22Å; M36-R50 WeakPolarHBondContact O-CD 3.23Å; M36-R50 PolarHBondContact O-NE 3.36Å; M36-Y52 PolarHBondContact N-OH 2.9Å; M36-Y52 VanDerWaalsContact N-OH 3.1Å
37	P	95.7	Very high	90.9	Very high	34 Å²	34	81.7 Å²	81.7	22%	0.221	43%	0.431	C	S	.	.			trans	-71.5	-29.9	-163.8	25.2	-33.6	0	0	0	112.6	K49 R50 Y52 T53	P37-K49 CarbonylContact O-C 3.47Å; P37-K49 WeakPolarHBondContact O-CA 3.48Å; P37-R50 PolarHBondContact O-N 3.47Å; P37-Y52 VanDerWaalsContact CA-OH 3.28Å; P37-Y52 WeakPolarHBondContact CA-OH 3.34Å; P37-Y52 VanDerWaalsContact N-OH 3.16Å; P37-T53 HydrophobicContact CB-CG2 3.56Å
38	H	94.3	Very high	91.1	Very high	108 Å²	108	74.8 Å²	74.8	50%	0.5	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.3	-176.2	-65.2	-76.1	0	0	0	111.8	M36 S47 Y48	M36-H38 VanDerWaalsContact C-N 3.33Å; M36-H38 PolarHBondContact O-N 3.06Å; H38-S47 PolarHBondContact ND1-OG 3.06Å; H38-Y48 CarbonylContact C-O 3.59Å; H38-Y48 WeakPolarHBondContact CA-O 3.39Å
39	V	94.9	Very high	91.2	Very high	19 Å²	19	75.5 Å²	75.5	12%	0.115	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.6	168.6	-178.5	0	0	0	0	108.6	F41 Y48 R50 F116	V39-F41 HydrophobicContact CG1-CE1 4.2Å; V39-F41 HydrophobicContact CG1-CZ 4.14Å; V39-Y48 PolarHBondContact N-O 2.97Å; V39-Y48 PolarHBondContact O-N 3.12Å; V39-R50 HydrophobicContact CG2-CG 3.87Å; V39-F116 HydrophobicContact CB-CE1 3.63Å; V39-F116 HydrophobicContact CB-CZ 3.78Å; V39-F116 HydrophobicContact CG1-CE1 4.13Å; V39-F116 HydrophobicContact CG1-CZ 3.81Å; V39-F116 HydrophobicContact CG2-CE1 3.72Å; V39-F116 HydrophobicContact CG2-CZ 4.26Å
40	R	94.2	Very high	91.4	Very high	176 Å²	176	77.3 Å²	77.3	66%	0.664	40%	0.399	S	S	*	.			trans	-130.7	139.4	172.9	-60.3	-173.5	179.9	169.5	-1.6	108.1	R46	R40-R46 WeakPolarHBondContact CG-O 3.14Å
41	F	93.3	Very high	91.5	Very high	7 Å²	7	72.8 Å²	72.8	3%	0.031	38%	0.378	C	S	.	.			trans	-104.6	124.2	173.9	-56.8	-74.6	0	0	0	109.1	V39 T44 Y48 V114 F116 Y154 P218 W220 E221 P222 W223	V39-F41 HydrophobicContact CG1-CE1 4.2Å; V39-F41 HydrophobicContact CG1-CZ 4.14Å; F41-T44 WeakPolarHBondContact O-CG2 3.33Å; F41-T44 PolarHBondContact O-OG1 3.1Å; F41-T44 VanDerWaalsContact O-OG1 3.12Å; F41-Y48 HydrophobicContact CD2-CD2 4.01Å; F41-Y48 AromaticContact CD2-CE2 3.68Å; F41-Y48 HydrophobicContact CD2-CE2 3.68Å; F41-Y48 AromaticContact CE2-CD2 3.8Å; F41-Y48 HydrophobicContact CE2-CD2 3.8Å; F41-Y48 AromaticContact CE2-CE2 3.72Å; F41-Y48 HydrophobicContact CE2-CE2 3.72Å; F41-V114 HydrophobicContact CE1-CG1 4.24Å; F41-V114 HydrophobicContact CZ-CG1 4.02Å; F41-V114 HydrophobicContact CZ-CG2 4.32Å; F41-F116 AromaticContact CE2-CE2 3.61Å; F41-F116 HydrophobicContact CE2-CE2 3.61Å; F41-F116 AromaticContact CE2-CZ 3.82Å; F41-F116 HydrophobicContact CE2-CZ 3.82Å; F41-F116 AromaticContact CZ-CE2 3.64Å; F41-F116 HydrophobicContact CZ-CE2 3.64Å; F41-F116 AromaticContact CZ-CZ 3.6Å; F41-F116 HydrophobicContact CZ-CZ 3.6Å; F41-Y154 AromaticContact CE1-CE2 3.91Å; F41-Y154 HydrophobicContact CE1-CE2 3.91Å; F41-Y154 HydrophobicContact CZ-CE2 4.43Å; F41-P218 HydrophobicContact CD1-CB 4.37Å; F41-W220 VanDerWaalsContact CB-O 3.3Å; F41-W220 WeakPolarHBondContact CB-O 3.42Å; F41-E221 WeakPolarHBondContact CD2-OE1 3.48Å; F41-P222 HydrophobicContact CB-CG 4.48Å; F41-P222 HydrophobicContact CD1-CG 4.02Å; F41-P222 HydrophobicContact CD2-CG 3.79Å; F41-P222 HydrophobicContact CE1-CG 4.11Å; F41-P222 HydrophobicContact CE2-CG 3.87Å; F41-P222 VanDerWaalsContact CG-CD 3.5Å; F41-P222 HydrophobicContact CG-CG 3.84Å; F41-P222 HydrophobicContact CZ-CG 4.01Å; F41-W223 AromaticContact CE2-CZ3 3.97Å; F41-W223 HydrophobicContact CE2-CZ3 3.97Å; F41-W223 HydrophobicContact CZ-CZ3 4.44Å
42	S	85.6	Confident	91.6	Very high	78 Å²	78	72.9 Å²	72.9	55%	0.545	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	-157.4	-173.8	-158.8	0	0	0	0	112.1	G219	S42-G219 VanDerWaalsContact CB-O 3.28Å; S42-G219 WeakPolarHBondContact CB-O 3.36Å; S42-G219 PolarHBondContact OG-O 2.94Å
43	D	72	Confident	91.7	Very high	158 Å²	158	66.2 Å²	66.2	85%	0.845	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	50.9	175.7	-158.6	14.4	0	0	0	111.1	G45	D43-G45 VanDerWaalsContact C-N 3.35Å
44	T	73.8	Confident	91.7	Very high	63 Å²	63	67.9 Å²	67.9	39%	0.387	34%	0.342	S	S	.	.	S	Bend	trans	-81.9	-15.3	-178.3	61	0	0	0	0	112.9	F41 R46 E221	F41-T44 WeakPolarHBondContact O-CG2 3.33Å; F41-T44 PolarHBondContact O-OG1 3.1Å; F41-T44 VanDerWaalsContact O-OG1 3.12Å; T44-R46 VanDerWaalsContact C-N 3.25Å; T44-R46 PolarHBondContact O-N 2.85Å; T44-R46 PolarHBondContact OG1-N 3.31Å; T44-E221 VanDerWaalsContact CB-OE2 3.27Å; T44-E221 WeakPolarHBondContact CB-OE2 3.5Å; T44-E221 HydrophobicContact CG2-CB 3.99Å; T44-E221 PolarHBondContact OG1-OE2 3.29Å
45	G	79.2	Confident	91.8	Very high	66 Å²	66	67.9 Å²	67.9	68%	0.68	34%	0.342	S	S	*	.	S	Bend	trans	81.4	-10.6	-175.2	0	0	0	0	0	115	D43	D43-G45 VanDerWaalsContact C-N 3.35Å
46	R	90.3	Very high	91.8	Very high	30 Å²	30	67.8 Å²	67.8	11%	0.113	34%	0.34	C	S	.	.			trans	-78.8	140.3	176	-155.9	170.3	-168.6	-160.3	8.5	110.4	R40 T44 Y48 D125 E126 E221	R40-R46 WeakPolarHBondContact CG-O 3.14Å; T44-R46 VanDerWaalsContact C-N 3.25Å; T44-R46 PolarHBondContact O-N 2.85Å; T44-R46 PolarHBondContact OG1-N 3.31Å; R46-Y48 HydrophobicContact CB-CE2 4.33Å; R46-Y48 WeakPolarHBondContact CD-OH 3.33Å; R46-Y48 HydrophobicContact CG-CE2 4.05Å; R46-Y48 PolarHBondContact NH1-OH 3.42Å; R46-D125 IonicContact CZ-OD2 3.27Å; R46-D125 IonicContact NE-OD2 3.44Å; R46-D125 PolarHBondContact NE-OD2 2.77Å; R46-D125 IonicContact NH2-OD2 2.99Å; R46-D125 PolarHBondContact NH2-OD2 3.29Å; R46-E126 IonicContact CZ-OE1 3.84Å; R46-E126 VanDerWaalsContact CZ-OE1 3.28Å; R46-E126 IonicContact NH1-OE1 3.47Å; R46-E126 PolarHBondContact NH1-OE1 3.09Å; R46-E126 IonicContact NH2-OE1 3.94Å; R46-E126 PolarHBondContact NH2-OE1 2.9Å; R46-E221 VanDerWaalsContact CB-OE2 3.29Å; R46-E221 WeakPolarHBondContact CB-OE2 3.45Å
47	S	92.3	Very high	91.5	Very high	42 Å²	42	65.7 Å²	65.7	29%	0.294	33%	0.331	S	S	.	.			trans	-128	130.4	177.4	-166.9	0	0	0	0	110	H38	H38-S47 PolarHBondContact ND1-OG 3.06Å
48	Y	95.3	Very high	91	Very high	5 Å²	5	68.6 Å²	68.6	2%	0.02	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.7	177	-61.8	-94.6	0	0	0	110	H38 V39 F41 R46 F116 W122 E221 W223	H38-Y48 CarbonylContact C-O 3.59Å; H38-Y48 WeakPolarHBondContact CA-O 3.39Å; V39-Y48 PolarHBondContact N-O 2.97Å; V39-Y48 PolarHBondContact O-N 3.12Å; F41-Y48 HydrophobicContact CD2-CD2 4.01Å; F41-Y48 AromaticContact CD2-CE2 3.68Å; F41-Y48 HydrophobicContact CD2-CE2 3.68Å; F41-Y48 AromaticContact CE2-CD2 3.8Å; F41-Y48 HydrophobicContact CE2-CD2 3.8Å; F41-Y48 AromaticContact CE2-CE2 3.72Å; F41-Y48 HydrophobicContact CE2-CE2 3.72Å; R46-Y48 HydrophobicContact CB-CE2 4.33Å; R46-Y48 WeakPolarHBondContact CD-OH 3.33Å; R46-Y48 HydrophobicContact CG-CE2 4.05Å; R46-Y48 PolarHBondContact NH1-OH 3.42Å; Y48-F116 HydrophobicContact CD1-CB 4.34Å; Y48-F116 AromaticContact CD1-CD2 3.44Å; Y48-F116 HydrophobicContact CD1-CD2 3.44Å; Y48-F116 VanDerWaalsContact CD1-CD2 3.44Å; Y48-F116 AromaticContact CD1-CE2 3.81Å; Y48-F116 HydrophobicContact CD1-CE2 3.81Å; Y48-F116 AromaticContact CD1-CG 3.95Å; Y48-F116 HydrophobicContact CD1-CG 3.95Å; Y48-F116 HydrophobicContact CD2-CE2 4.12Å; Y48-F116 HydrophobicContact CD2-CZ 4.41Å; Y48-F116 HydrophobicContact CE1-CD2 4.16Å; Y48-F116 HydrophobicContact CE1-CE2 4.42Å; Y48-F116 HydrophobicContact CG-CD1 4.41Å; Y48-F116 AromaticContact CG-CD2 3.65Å; Y48-F116 HydrophobicContact CG-CD2 3.65Å; Y48-F116 HydrophobicContact CG-CE1 4.41Å; Y48-F116 AromaticContact CG-CE2 3.62Å; Y48-F116 HydrophobicContact CG-CE2 3.62Å; Y48-F116 HydrophobicContact CG-CG 4.06Å; Y48-F116 HydrophobicContact CG-CZ 4.01Å; Y48-W122 HydrophobicContact CD1-CZ2 4.14Å; Y48-W122 HydrophobicContact CE1-CZ2 4.32Å; Y48-E221 WeakPolarHBondContact CE2-OE1 3.36Å; Y48-E221 PolarHBondContact OH-OE1 3.25Å; Y48-W223 HydrophobicContact CE1-CE3 4.27Å; Y48-W223 AromaticContact CE1-CZ3 3.93Å; Y48-W223 HydrophobicContact CE1-CZ3 3.93Å; Y48-W223 AromaticContact CZ-CZ3 4Å
49	K	96.3	Very high	90.4	Very high	77 Å²	77	72.1 Å²	72.1	34%	0.335	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.5	169.4	-75.3	-170.2	172.7	-167.3	0	109.9	P37 D57 F116 K117	P37-K49 CarbonylContact O-C 3.47Å; P37-K49 WeakPolarHBondContact O-CA 3.48Å; K49-D57 IonicContact NZ-OD1 2.73Å; K49-D57 PolarHBondContact NZ-OD1 2.67Å; K49-D57 IonicContact NZ-OD2 3.7Å; K49-F116 CarbonylContact O-C 3.51Å; K49-F116 VanDerWaalsContact O-CA 3.25Å; K49-F116 WeakPolarHBondContact O-CA 3.22Å; K49-K117 HydrophobicContact CB-CB 4.27Å; K49-K117 PolarHBondContact O-N 3.13Å
50	R	96.9	Very high	90	Very high	83 Å²	83	78.2 Å²	78.2	31%	0.313	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-62.9	147.1	174.8	-70.8	-171.2	178.8	-90	1.2	111	M36 P37 V39 Y52 T53 W115	M36-R50 VanDerWaalsContact O-CD 3.22Å; M36-R50 WeakPolarHBondContact O-CD 3.23Å; M36-R50 PolarHBondContact O-NE 3.36Å; P37-R50 PolarHBondContact O-N 3.47Å; V39-R50 HydrophobicContact CG2-CG 3.87Å; R50-Y52 VanDerWaalsContact C-N 3.27Å; R50-Y52 HydrophobicContact CB-CD1 3.65Å; R50-Y52 HydrophobicContact CB-CE1 3.63Å; R50-Y52 HydrophobicContact CG-CE1 4.35Å; R50-Y52 PolarHBondContact O-N 2.79Å; R50-Y52 VanDerWaalsContact O-N 3.16Å; R50-T53 VanDerWaalsContact O-CB 3.3Å; R50-T53 WeakPolarHBondContact O-CB 3.13Å; R50-T53 VanDerWaalsContact O-CG2 3.26Å; R50-T53 WeakPolarHBondContact O-CG2 3.33Å; R50-T53 PolarHBondContact O-N 3.12Å; R50-T53 PolarHBondContact O-OG1 3.45Å; R50-W115 CarbonylContact C-O 3.36Å; R50-W115 WeakPolarHBondContact CA-O 3.31Å
51	W	97.3	Very high	90	Very high	31 Å²	31	70.5 Å²	70.5	12%	0.117	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-56	-34.9	-174.8	-177.8	-107.9	0	0	0	114.8	T53 N54 W55 W115 K117 G139 F140 G141	W51-T53 PolarHBondContact O-N 3.3Å; W51-N54 VanDerWaalsContact CZ3-ND2 3.28Å; W51-N54 WeakPolarHBondContact CZ3-ND2 3.44Å; W51-N54 PolarHBondContact O-N 3.09Å; W51-N54 PolarHBondContact O-ND2 3.31Å; W51-W55 AromaticContact CD1-CH2 3.89Å; W51-W55 AromaticContact CD1-CZ3 3.66Å; W51-W55 AromaticContact NE1-CH2 3.31Å; W51-W55 VanDerWaalsContact NE1-CH2 3.31Å; W51-W55 AromaticContact NE1-CZ3 3.58Å; W51-W115 HydrophobicContact CB-CB 4.13Å; W51-W115 HydrophobicContact CB-CD2 3.49Å; W51-W115 VanDerWaalsContact CB-CD2 3.49Å; W51-W115 HydrophobicContact CB-CE3 3.91Å; W51-W115 HydrophobicContact CB-CG 3.57Å; W51-W115 WeakPolarHBondContact CB-O 3.37Å; W51-W115 AromaticContact CD1-CD2 3.57Å; W51-W115 AromaticContact CD1-CE2 3.38Å; W51-W115 AromaticContact CD1-CE3 3.52Å; W51-W115 AromaticContact CD1-CH2 3.21Å; W51-W115 AromaticContact CD1-CZ2 3.22Å; W51-W115 AromaticContact CD1-CZ3 3.35Å; W51-W115 HydrophobicContact CD2-CD2 4.24Å; W51-W115 AromaticContact CD2-CE2 3.62Å; W51-W115 AromaticContact CD2-CZ2 3.79Å; W51-W115 HydrophobicContact CD2-CZ2 3.79Å; W51-W115 AromaticContact CD2-NE1 3.69Å; W51-W115 AromaticContact CE2-CE2 3.87Å; W51-W115 AromaticContact CE2-CZ2 3.51Å; W51-W115 AromaticContact CE3-NE1 3.98Å; W51-W115 AromaticContact CG-CD2 3.47Å; W51-W115 HydrophobicContact CG-CD2 3.47Å; W51-W115 VanDerWaalsContact CG-CD2 3.47Å; W51-W115 AromaticContact CG-CE2 3.33Å; W51-W115 AromaticContact CG-CE3 3.85Å; W51-W115 HydrophobicContact CG-CE3 3.85Å; W51-W115 AromaticContact CG-CG 3.99Å; W51-W115 HydrophobicContact CG-CG 3.99Å; W51-W115 HydrophobicContact CG-CH2 4.04Å; W51-W115 AromaticContact CG-CZ2 3.64Å; W51-W115 HydrophobicContact CG-CZ2 3.64Å; W51-W115 HydrophobicContact CG-CZ3 4.12Å; W51-W115 AromaticContact CG-NE1 3.72Å; W51-W115 HydrophobicContact CZ2-CZ2 4.27Å; W51-W115 PolarHBondContact N-O 3.46Å; W51-W115 AromaticContact NE1-CE2 3.67Å; W51-W115 AromaticContact NE1-CH2 3.22Å; W51-W115 AromaticContact NE1-CZ2 3.08Å; W51-W115 AromaticContact NE1-CZ3 3.87Å; W51-K117 HydrophobicContact CE3-CB 4.49Å; W51-G139 WeakPolarHBondContact CH2-O 3.32Å; W51-F140 VanDerWaalsContact CH2-C 3.4Å; W51-G141 VanDerWaalsContact CE3-CA 3.49Å
52	Y	96.7	Very high	90	Very high	49 Å²	49	72 Å²	72	19%	0.192	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-60.3	-20.6	178.4	81.9	-93.1	0	0	0	113.3	D35 M36 P37 R50 N54 W55 F56 L65	D35-Y52 WeakPolarHBondContact OD1-CE2 3.35Å; D35-Y52 PolarHBondContact OD1-OH 3.17Å; M36-Y52 PolarHBondContact N-OH 2.9Å; M36-Y52 VanDerWaalsContact N-OH 3.1Å; P37-Y52 VanDerWaalsContact CA-OH 3.28Å; P37-Y52 WeakPolarHBondContact CA-OH 3.34Å; P37-Y52 VanDerWaalsContact N-OH 3.16Å; R50-Y52 VanDerWaalsContact C-N 3.27Å; R50-Y52 HydrophobicContact CB-CD1 3.65Å; R50-Y52 HydrophobicContact CB-CE1 3.63Å; R50-Y52 HydrophobicContact CG-CE1 4.35Å; R50-Y52 PolarHBondContact O-N 2.79Å; R50-Y52 VanDerWaalsContact O-N 3.16Å; Y52-N54 PolarHBondContact O-N 2.92Å; Y52-N54 VanDerWaalsContact O-N 3.1Å; Y52-W55 PolarHBondContact O-N 3.34Å; Y52-F56 HydrophobicContact CD2-CB 4.07Å; Y52-F56 HydrophobicContact CD2-CD2 4.29Å; Y52-F56 HydrophobicContact CE2-CB 4.22Å; Y52-F56 PolarHBondContact O-N 3.01Å; Y52-L65 HydrophobicContact CD2-CD2 4.36Å; Y52-L65 HydrophobicContact CE2-CD1 4.27Å
53	T	96.9	Very high	90.4	Very high	1 Å²	1	72 Å²	72	1%	0.006	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-65.9	-7.2	176.1	65	0	0	0	0	113.4	P37 R50 W51 W55 F56 D57	P37-T53 HydrophobicContact CB-CG2 3.56Å; R50-T53 VanDerWaalsContact O-CB 3.3Å; R50-T53 WeakPolarHBondContact O-CB 3.13Å; R50-T53 VanDerWaalsContact O-CG2 3.26Å; R50-T53 WeakPolarHBondContact O-CG2 3.33Å; R50-T53 PolarHBondContact O-N 3.12Å; R50-T53 PolarHBondContact O-OG1 3.45Å; W51-T53 PolarHBondContact O-N 3.3Å; T53-W55 PolarHBondContact O-N 2.65Å; T53-F56 WeakPolarHBondContact CA-O 3.41Å; T53-D57 VanDerWaalsContact O-CB 3.28Å; T53-D57 WeakPolarHBondContact O-CB 3.46Å
54	N	96.2	Very high	91.6	Very high	64 Å²	64	66.5 Å²	66.5	34%	0.342	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-63.2	-27.7	166.1	-78.7	-58	0	0	0	112.8	W51 Y52 K117	W51-N54 VanDerWaalsContact CZ3-ND2 3.28Å; W51-N54 WeakPolarHBondContact CZ3-ND2 3.44Å; W51-N54 PolarHBondContact O-N 3.09Å; W51-N54 PolarHBondContact O-ND2 3.31Å; Y52-N54 PolarHBondContact O-N 2.92Å; Y52-N54 VanDerWaalsContact O-N 3.1Å; N54-K117 WeakPolarHBondContact OD1-CD 3.08Å; N54-K117 WeakPolarHBondContact OD1-CE 3.36Å
55	W	96.3	Very high	92.7	Very high	175 Å²	175	64.9 Å²	64.9	66%	0.663	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-24.7	179.5	-57.1	-82.1	0	0	0	113.2	W51 Y52 T53	W51-W55 AromaticContact CD1-CH2 3.89Å; W51-W55 AromaticContact CD1-CZ3 3.66Å; W51-W55 AromaticContact NE1-CH2 3.31Å; W51-W55 VanDerWaalsContact NE1-CH2 3.31Å; W51-W55 AromaticContact NE1-CZ3 3.58Å; Y52-W55 PolarHBondContact O-N 3.34Å; T53-W55 PolarHBondContact O-N 2.65Å
56	F	95.8	Very high	93.5	Very high	33 Å²	33	63.1 Å²	63.1	15%	0.145	33%	0.332	C	S	.	.			trans	-129.5	77.9	-178.1	-59	-87.6	0	0	0	109.9	Y52 T53 N61 A64 L65 Y68	Y52-F56 HydrophobicContact CD2-CB 4.07Å; Y52-F56 HydrophobicContact CD2-CD2 4.29Å; Y52-F56 HydrophobicContact CE2-CB 4.22Å; Y52-F56 PolarHBondContact O-N 3.01Å; T53-F56 WeakPolarHBondContact CA-O 3.41Å; F56-N61 VanDerWaalsContact C-ND2 3.34Å; F56-N61 HydrophobicContact CB-CB 3.99Å; F56-N61 HydrophobicContact CD1-CB 4.31Å; F56-N61 PolarHBondContact O-ND2 3.06Å; F56-N61 VanDerWaalsContact O-ND2 3.12Å; F56-A64 HydrophobicContact CD1-CB 4.2Å; F56-A64 HydrophobicContact CE1-CB 4.15Å; F56-L65 HydrophobicContact CD1-CD2 4.11Å; F56-L65 HydrophobicContact CD1-CG 4.31Å; F56-L65 HydrophobicContact CD2-CD2 3.53Å; F56-L65 HydrophobicContact CE1-CD2 4.13Å; F56-L65 HydrophobicContact CE1-CG 4.45Å; F56-L65 HydrophobicContact CE2-CD2 3.56Å; F56-L65 HydrophobicContact CG-CD2 3.82Å; F56-L65 HydrophobicContact CG-CG 4.33Å; F56-L65 HydrophobicContact CZ-CD2 3.87Å; F56-Y68 HydrophobicContact CZ-CD1 4.18Å; F56-Y68 HydrophobicContact CZ-CD2 4.22Å; F56-Y68 AromaticContact CZ-CG 3.82Å; F56-Y68 HydrophobicContact CZ-CG 3.82Å
57	D	88.8	Confident	93.8	Very high	80 Å²	80	63.7 Å²	63.7	43%	0.428	34%	0.344	S	S	.	.			trans	-103.9	7.6	-176	-148.1	0.6	0	0	0	113.6	K49 T53 K117	K49-D57 IonicContact NZ-OD1 2.73Å; K49-D57 PolarHBondContact NZ-OD1 2.67Å; K49-D57 IonicContact NZ-OD2 3.7Å; T53-D57 VanDerWaalsContact O-CB 3.28Å; T53-D57 WeakPolarHBondContact O-CB 3.46Å; D57-K117 IonicContact OD2-NZ 3.09Å; D57-K117 PolarHBondContact OD2-NZ 2.99Å; D57-K117 VanDerWaalsContact OD2-NZ 3.09Å
58	C	84.2	Confident	94	Very high	96 Å²	96	66.2 Å²	66.2	65%	0.649	35%	0.348	S	S	*	.	S	Bend	trans	-83.2	173.4	173.9	-62.2	0	0	0	0	111.3	N61	C58-N61 PolarHBondContact N-ND2 3.42Å; C58-N61 PolarHBondContact O-ND2 3.46Å
59	E	83.2	Confident	94.1	Very high	181 Å²	181	67.3 Å²	67.3	85%	0.846	36%	0.357	S	S	*	.	S	Bend	trans	-78.6	149.6	167.8	-64.6	-176.3	169.7	0	0	110.4
60	D	84.6	Confident	94.2	Very high	147 Å²	147	68 Å²	68	79%	0.786	36%	0.361	S	S	*	.			trans	59	45.7	173.5	-61.7	-34.2	0	0	0	116.1	A62	D60-A62 VanDerWaalsContact C-N 3.26Å; D60-A62 PolarHBondContact O-N 2.92Å
61	N	94.3	Very high	94.2	Very high	15 Å²	15	71.3 Å²	71.3	8%	0.08	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	0.2	-177.8	-63.5	-56.5	0	0	0	115.1	D35 F56 C58 A63 A64 L65	D35-N61 WeakPolarHBondContact OD2-CB 3.38Å; D35-N61 PolarHBondContact OD2-N 2.79Å; F56-N61 VanDerWaalsContact C-ND2 3.34Å; F56-N61 HydrophobicContact CB-CB 3.99Å; F56-N61 HydrophobicContact CD1-CB 4.31Å; F56-N61 PolarHBondContact O-ND2 3.06Å; F56-N61 VanDerWaalsContact O-ND2 3.12Å; C58-N61 PolarHBondContact N-ND2 3.42Å; C58-N61 PolarHBondContact O-ND2 3.46Å; N61-A63 PolarHBondContact O-N 2.96Å; N61-A63 VanDerWaalsContact O-N 3.17Å; N61-A64 CarbonylContact O-C 3.54Å; N61-A64 WeakPolarHBondContact O-CA 3.15Å; N61-A64 WeakPolarHBondContact O-CB 3.44Å; N61-A64 PolarHBondContact O-N 3.5Å; N61-L65 WeakPolarHBondContact O-CG 3.36Å; N61-L65 PolarHBondContact O-N 3.02Å
62	A	94.3	Very high	94.2	Very high	39 Å²	39	71.1 Å²	71.1	32%	0.322	38%	0.381	S	S	.	.	H	α-helix	trans	-55.7	-38.7	-175.3	0	0	0	0	0	113	D35 D60 C66	D35-A62 HydrophobicContact CB-CB 4.11Å; D60-A62 VanDerWaalsContact C-N 3.26Å; D60-A62 PolarHBondContact O-N 2.92Å; A62-C66 PolarHBondContact O-N 2.79Å; A62-C66 PolarHBondContact O-SG 3.22Å
63	A	93.9	Very high	94.2	Very high	76 Å²	76	71.6 Å²	71.6	63%	0.628	39%	0.385	S	S	*	.	H	α-helix	trans	-70.8	-40.3	175.1	0	0	0	0	0	112.3	N61 L65 C66 A67	N61-A63 PolarHBondContact O-N 2.96Å; N61-A63 VanDerWaalsContact O-N 3.17Å; A63-L65 VanDerWaalsContact C-N 3.34Å; A63-C66 WeakPolarHBondContact O-CB 3.17Å; A63-C66 PolarHBondContact O-N 3.05Å; A63-A67 PolarHBondContact O-N 2.76Å
64	A	96.2	Very high	94.2	Very high	43 Å²	43	76.2 Å²	76.2	36%	0.355	42%	0.417	S	S	.	.	H	α-helix	trans	-64.8	-38.3	177.1	0	0	0	0	0	111.9	F56 N61 A67 Y68	F56-A64 HydrophobicContact CD1-CB 4.2Å; F56-A64 HydrophobicContact CE1-CB 4.15Å; N61-A64 CarbonylContact O-C 3.54Å; N61-A64 WeakPolarHBondContact O-CA 3.15Å; N61-A64 WeakPolarHBondContact O-CB 3.44Å; N61-A64 PolarHBondContact O-N 3.5Å; A64-A67 PolarHBondContact O-N 2.81Å; A64-Y68 WeakPolarHBondContact O-CB 3.1Å; A64-Y68 PolarHBondContact O-N 3.47Å
65	L	97.3	Very high	94.3	Very high	29 Å²	29	78.6 Å²	78.6	15%	0.152	42%	0.421	C	S	.	.	H	α-helix	trans	-62	-45.4	172.8	-72.6	166.5	0	0	0	111.4	A33 D35 Y52 F56 N61 A63 Y68 A69	A33-L65 HydrophobicContact CB-CB 3.67Å; A33-L65 HydrophobicContact CB-CD1 4.44Å; D35-L65 HydrophobicContact CB-CD1 4.21Å; Y52-L65 HydrophobicContact CD2-CD2 4.36Å; Y52-L65 HydrophobicContact CE2-CD1 4.27Å; F56-L65 HydrophobicContact CD1-CD2 4.11Å; F56-L65 HydrophobicContact CD1-CG 4.31Å; F56-L65 HydrophobicContact CD2-CD2 3.53Å; F56-L65 HydrophobicContact CE1-CD2 4.13Å; F56-L65 HydrophobicContact CE1-CG 4.45Å; F56-L65 HydrophobicContact CE2-CD2 3.56Å; F56-L65 HydrophobicContact CG-CD2 3.82Å; F56-L65 HydrophobicContact CG-CG 4.33Å; F56-L65 HydrophobicContact CZ-CD2 3.87Å; N61-L65 WeakPolarHBondContact O-CG 3.36Å; N61-L65 PolarHBondContact O-N 3.02Å; A63-L65 VanDerWaalsContact C-N 3.34Å; L65-Y68 PolarHBondContact O-N 2.74Å; L65-A69 WeakPolarHBondContact O-CB 3.28Å; L65-A69 PolarHBondContact O-N 3.22Å
66	C	96.8	Very high	94.4	Very high	29 Å²	29	73.7 Å²	73.7	20%	0.196	41%	0.405	C	S	.	.	H	α-helix	trans	-60.5	-45.1	174.3	-70.1	0	0	0	0	111.8	A62 A63 A69 F70	A62-C66 PolarHBondContact O-N 2.79Å; A62-C66 PolarHBondContact O-SG 3.22Å; A63-C66 WeakPolarHBondContact O-CB 3.17Å; A63-C66 PolarHBondContact O-N 3.05Å; C66-A69 PolarHBondContact O-N 3.16Å; C66-F70 WeakPolarHBondContact O-CD2 3.41Å; C66-F70 PolarHBondContact O-N 3.41Å
67	A	96.3	Very high	94.5	Very high	42 Å²	42	75.1 Å²	75.1	35%	0.347	42%	0.416	S	S	.	.	H	α-helix	trans	-60.6	-48.5	177.9	0	0	0	0	0	111.1	A63 A64 A69 F70 E71	A63-A67 PolarHBondContact O-N 2.76Å; A64-A67 PolarHBondContact O-N 2.81Å; A67-A69 VanDerWaalsContact C-N 3.29Å; A67-A69 PolarHBondContact O-N 3.33Å; A67-F70 PolarHBondContact O-N 3.39Å; A67-E71 WeakPolarHBondContact O-CB 3.4Å; A67-E71 VanDerWaalsContact O-CG 3.31Å; A67-E71 WeakPolarHBondContact O-CG 3.5Å; A67-E71 PolarHBondContact O-N 3.45Å
68	Y	97.2	Very high	94.9	Very high	96 Å²	96	77.8 Å²	77.8	38%	0.376	43%	0.426	S	S	.	.	H	α-helix	trans	-57.1	-42.4	175.7	-178.1	-100.7	0	0	0	112.1	F56 A64 L65 E71 N72 R75 F76	F56-Y68 HydrophobicContact CZ-CD1 4.18Å; F56-Y68 HydrophobicContact CZ-CD2 4.22Å; F56-Y68 AromaticContact CZ-CG 3.82Å; F56-Y68 HydrophobicContact CZ-CG 3.82Å; A64-Y68 WeakPolarHBondContact O-CB 3.1Å; A64-Y68 PolarHBondContact O-N 3.47Å; L65-Y68 PolarHBondContact O-N 2.74Å; Y68-E71 PolarHBondContact O-N 3.1Å; Y68-N72 WeakPolarHBondContact CD2-ND2 3.38Å; Y68-N72 WeakPolarHBondContact CE2-ND2 3.14Å; Y68-N72 WeakPolarHBondContact O-CB 3.23Å; Y68-N72 PolarHBondContact O-N 3.07Å; Y68-N72 VanDerWaalsContact O-N 3.11Å; Y68-N72 PolarHBondContact O-ND2 3.17Å; Y68-R75 PolarHBondContact OH-NH2 3.39Å; Y68-F76 HydrophobicContact CD1-CZ 4.25Å; Y68-F76 AromaticContact CE1-CZ 3.66Å; Y68-F76 HydrophobicContact CE1-CZ 3.66Å
69	A	97.3	Very high	95.6	Very high	27 Å²	27	77.6 Å²	77.6	22%	0.223	42%	0.419	C	S	.	.	H	α-helix	trans	-63.2	-44.2	177.8	0	0	0	0	0	112.4	C31 L65 C66 A67 N72 E73	C31-A69 VanDerWaalsContact SG-CB 3.54Å; L65-A69 WeakPolarHBondContact O-CB 3.28Å; L65-A69 PolarHBondContact O-N 3.22Å; C66-A69 PolarHBondContact O-N 3.16Å; A67-A69 VanDerWaalsContact C-N 3.29Å; A67-A69 PolarHBondContact O-N 3.33Å; A69-N72 CarbonylContact O-C 3.54Å; A69-N72 PolarHBondContact O-N 3.4Å; A69-E73 WeakPolarHBondContact O-CA 3.42Å; A69-E73 PolarHBondContact O-N 2.91Å
70	F	97.2	Very high	96.3	Very high	92 Å²	92	73.1 Å²	73.1	40%	0.404	40%	0.399	S	S	.	.	H	α-helix	trans	-67.4	-41.9	176.9	-75.1	-57.2	0	0	0	112.8	C31 C66 A67 N72 E73	C31-F70 HydrophobicContact CB-CD2 4.2Å; C31-F70 HydrophobicContact CB-CE1 3.91Å; C31-F70 HydrophobicContact CB-CE2 3.54Å; C31-F70 HydrophobicContact CB-CZ 3.39Å; C66-F70 WeakPolarHBondContact O-CD2 3.41Å; C66-F70 PolarHBondContact O-N 3.41Å; A67-F70 PolarHBondContact O-N 3.39Å; F70-N72 PolarHBondContact O-N 2.64Å; F70-E73 PolarHBondContact O-N 3.46Å
71	E	97.7	Very high	97	Very high	153 Å²	153	72.5 Å²	72.5	72%	0.715	39%	0.39	S	S	*	.	H	α-helix	trans	-61.6	-28	177.3	-73.7	171.5	-171.9	0	0	112.4	A67 Y68	A67-E71 WeakPolarHBondContact O-CB 3.4Å; A67-E71 VanDerWaalsContact O-CG 3.31Å; A67-E71 WeakPolarHBondContact O-CG 3.5Å; A67-E71 PolarHBondContact O-N 3.45Å; Y68-E71 PolarHBondContact O-N 3.1Å
72	N	97.8	Very high	97.1	Very high	27 Å²	27	78.8 Å²	78.8	14%	0.144	42%	0.419	C	S	.	.	H	α-helix	trans	-112.7	3.8	-174.4	-66.9	-87.8	0	0	0	114.4	Y68 A69 F70 S74 R75 F76	Y68-N72 WeakPolarHBondContact CD2-ND2 3.38Å; Y68-N72 WeakPolarHBondContact CE2-ND2 3.14Å; Y68-N72 WeakPolarHBondContact O-CB 3.23Å; Y68-N72 PolarHBondContact O-N 3.07Å; Y68-N72 VanDerWaalsContact O-N 3.11Å; Y68-N72 PolarHBondContact O-ND2 3.17Å; A69-N72 CarbonylContact O-C 3.54Å; A69-N72 PolarHBondContact O-N 3.4Å; F70-N72 PolarHBondContact O-N 2.64Å; N72-S74 VanDerWaalsContact C-N 3.29Å; N72-S74 PolarHBondContact O-N 2.93Å; N72-R75 WeakPolarHBondContact O-CB 3.48Å; N72-R75 PolarHBondContact O-N 2.83Å; N72-R75 PolarHBondContact OD1-NE 3.02Å; N72-R75 PolarHBondContact OD1-NH2 3.41Å; N72-F76 HydrophobicContact CB-CD1 4.29Å; N72-F76 HydrophobicContact CB-CD2 4.24Å; N72-F76 HydrophobicContact CB-CE1 3.73Å; N72-F76 HydrophobicContact CB-CE2 3.68Å; N72-F76 HydrophobicContact CB-CZ 3.38Å; N72-F76 WeakPolarHBondContact O-CG 3.44Å; N72-F76 PolarHBondContact O-N 3.13Å
73	E	96.4	Very high	97.2	Very high	58 Å²	58	81.5 Å²	81.5	27%	0.271	42%	0.421	S	S	.	.	H	α-helix	trans	-49.3	-49.8	-174.1	-174.5	-166.1	160.9	0	0	111.7	K27 S29 A69 F70 R75 F76 V77	K27-E73 IonicContact NZ-OE1 2.68Å; K27-E73 PolarHBondContact NZ-OE1 2.7Å; K27-E73 IonicContact NZ-OE2 3.78Å; S29-E73 PolarHBondContact OG-OE2 3.05Å; A69-E73 WeakPolarHBondContact O-CA 3.42Å; A69-E73 PolarHBondContact O-N 2.91Å; F70-E73 PolarHBondContact O-N 3.46Å; E73-R75 PolarHBondContact O-N 3.37Å; E73-F76 PolarHBondContact O-N 2.94Å; E73-V77 WeakPolarHBondContact O-CG2 3.35Å; E73-V77 PolarHBondContact O-N 3.27Å
74	S	97	Very high	97.4	Very high	98 Å²	98	80.2 Å²	80.2	69%	0.685	40%	0.402	S	S	*	.	H	α-helix	trans	-62.8	-43.1	-177.2	-61.6	0	0	0	0	111.9	N72 F76 V77 E78	N72-S74 VanDerWaalsContact C-N 3.29Å; N72-S74 PolarHBondContact O-N 2.93Å; S74-F76 PolarHBondContact O-N 3.35Å; S74-V77 PolarHBondContact O-N 2.82Å; S74-E78 WeakPolarHBondContact O-CB 3.25Å; S74-E78 PolarHBondContact O-N 3.01Å
75	R	98.2	Very high	97.5	Very high	114 Å²	114	83.2 Å²	83.2	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-41.5	177.7	-176.6	-179.1	67.5	165.1	2.7	111.1	Y68 N72 E73 E78 N79	Y68-R75 PolarHBondContact OH-NH2 3.39Å; N72-R75 WeakPolarHBondContact O-CB 3.48Å; N72-R75 PolarHBondContact O-N 2.83Å; N72-R75 PolarHBondContact OD1-NE 3.02Å; N72-R75 PolarHBondContact OD1-NH2 3.41Å; E73-R75 PolarHBondContact O-N 3.37Å; R75-E78 PolarHBondContact O-N 2.98Å; R75-N79 WeakPolarHBondContact O-CB 3.46Å; R75-N79 PolarHBondContact O-N 2.87Å; R75-N79 PolarHBondContact O-OD1 3.34Å
76	F	97.6	Very high	97.4	Very high	72 Å²	72	85.8 Å²	85.8	32%	0.316	43%	0.427	S	S	.	.	H	α-helix	trans	-64.5	-46.4	178	-61.2	-23.7	0	0	0	111.9	Y68 N72 E73 S74 E78 N79 I80	Y68-F76 HydrophobicContact CD1-CZ 4.25Å; Y68-F76 AromaticContact CE1-CZ 3.66Å; Y68-F76 HydrophobicContact CE1-CZ 3.66Å; N72-F76 HydrophobicContact CB-CD1 4.29Å; N72-F76 HydrophobicContact CB-CD2 4.24Å; N72-F76 HydrophobicContact CB-CE1 3.73Å; N72-F76 HydrophobicContact CB-CE2 3.68Å; N72-F76 HydrophobicContact CB-CZ 3.38Å; N72-F76 WeakPolarHBondContact O-CG 3.44Å; N72-F76 PolarHBondContact O-N 3.13Å; E73-F76 PolarHBondContact O-N 2.94Å; S74-F76 PolarHBondContact O-N 3.35Å; F76-E78 VanDerWaalsContact C-N 3.33Å; F76-E78 PolarHBondContact O-N 3.35Å; F76-N79 PolarHBondContact O-N 3.13Å; F76-I80 WeakPolarHBondContact O-CB 3.35Å; F76-I80 VanDerWaalsContact O-CG1 3.26Å; F76-I80 WeakPolarHBondContact O-CG1 3.47Å; F76-I80 PolarHBondContact O-N 3.19Å
77	V	97.3	Very high	97.3	Very high	64 Å²	64	84.8 Å²	84.8	39%	0.388	42%	0.42	S	S	.	.	H	α-helix	trans	-61.9	-41.9	177.5	172.3	0	0	0	0	111.3	E73 S74 I80 K81	E73-V77 WeakPolarHBondContact O-CG2 3.35Å; E73-V77 PolarHBondContact O-N 3.27Å; S74-V77 PolarHBondContact O-N 2.82Å; V77-I80 PolarHBondContact O-N 2.89Å; V77-K81 HydrophobicContact CG1-CD 4.26Å; V77-K81 WeakPolarHBondContact O-CG 3.43Å; V77-K81 PolarHBondContact O-N 2.89Å
78	E	98.6	Very high	97.3	Very high	136 Å²	136	85.9 Å²	85.9	64%	0.636	42%	0.419	S	S	*	.	H	α-helix	trans	-64.7	-46.9	177.7	-174.3	170.8	-165.1	0	0	111.8	S74 R75 F76 I80 K81 H82	S74-E78 WeakPolarHBondContact O-CB 3.25Å; S74-E78 PolarHBondContact O-N 3.01Å; R75-E78 PolarHBondContact O-N 2.98Å; F76-E78 VanDerWaalsContact C-N 3.33Å; F76-E78 PolarHBondContact O-N 3.35Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 PolarHBondContact O-N 2.86Å; E78-K81 PolarHBondContact O-N 2.87Å; E78-H82 WeakPolarHBondContact O-CB 3.41Å; E78-H82 PolarHBondContact O-N 2.99Å
79	N	98.4	Very high	97.3	Very high	92 Å²	92	84.7 Å²	84.7	49%	0.492	43%	0.425	S	S	.	.	H	α-helix	trans	-60.1	-43.3	176.7	-72.9	-4.2	0	0	0	111.6	R75 F76 K81 H82 W83	R75-N79 WeakPolarHBondContact O-CB 3.46Å; R75-N79 PolarHBondContact O-N 2.87Å; R75-N79 PolarHBondContact O-OD1 3.34Å; F76-N79 PolarHBondContact O-N 3.13Å; N79-K81 PolarHBondContact O-N 2.81Å; N79-H82 PolarHBondContact O-N 3.36Å; N79-W83 VanDerWaalsContact O-CD1 3.25Å; N79-W83 PolarHBondContact O-N 3.23Å; N79-W83 VanDerWaalsContact O-N 3.11Å
80	I	98.3	Very high	97.2	Very high	86 Å²	86	87.3 Å²	87.3	44%	0.441	43%	0.431	S	S	.	.	H	α-helix	trans	-59.6	-47.3	177.3	-71	164.9	0	0	0	111.1	F76 V77 E78 H82 W83 Q84	F76-I80 WeakPolarHBondContact O-CB 3.35Å; F76-I80 VanDerWaalsContact O-CG1 3.26Å; F76-I80 WeakPolarHBondContact O-CG1 3.47Å; F76-I80 PolarHBondContact O-N 3.19Å; V77-I80 PolarHBondContact O-N 2.89Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 PolarHBondContact O-N 2.86Å; I80-H82 VanDerWaalsContact C-N 3.34Å; I80-H82 PolarHBondContact O-N 2.85Å; I80-W83 VanDerWaalsContact CA-CD1 3.42Å; I80-W83 PolarHBondContact O-NE1 2.83Å; I80-Q84 WeakPolarHBondContact O-CG 3.17Å; I80-Q84 PolarHBondContact O-N 3.39Å
81	K	98.1	Very high	97	Very high	135 Å²	135	88 Å²	88	59%	0.587	45%	0.447	S	S	*	.	H	α-helix	trans	-61.2	-45.7	176	-72.2	173.7	179.4	-179.8	0	111.1	V77 E78 N79 W83 Q84 E85	V77-K81 HydrophobicContact CG1-CD 4.26Å; V77-K81 WeakPolarHBondContact O-CG 3.43Å; V77-K81 PolarHBondContact O-N 2.89Å; E78-K81 PolarHBondContact O-N 2.87Å; N79-K81 PolarHBondContact O-N 2.81Å; K81-W83 PolarHBondContact O-N 3.35Å; K81-Q84 PolarHBondContact O-N 2.9Å; K81-E85 VanDerWaalsContact O-CB 3.31Å; K81-E85 WeakPolarHBondContact O-CB 3.32Å; K81-E85 PolarHBondContact O-N 2.86Å
82	H	98.1	Very high	96.9	Very high	147 Å²	147	85.9 Å²	85.9	68%	0.681	45%	0.445	S	S	*	.	H	α-helix	trans	-59.5	-44.9	-174.9	-175.1	73.7	0	0	0	112.7	E78 N79 I80 P86	E78-H82 WeakPolarHBondContact O-CB 3.41Å; E78-H82 PolarHBondContact O-N 2.99Å; N79-H82 PolarHBondContact O-N 3.36Å; I80-H82 VanDerWaalsContact C-N 3.34Å; I80-H82 PolarHBondContact O-N 2.85Å; H82-P86 VanDerWaalsContact O-CD 3.27Å; H82-P86 WeakPolarHBondContact O-CD 3.46Å
83	W	96.6	Very high	96.8	Very high	96 Å²	96	85.1 Å²	85.1	36%	0.364	44%	0.441	S	S	.	.	H	α-helix	trans	-75.1	-26.8	-179.3	82.1	-98.2	0	0	0	113	N79 I80 K81 F102 L105 L170 W502	N79-W83 VanDerWaalsContact O-CD1 3.25Å; N79-W83 PolarHBondContact O-N 3.23Å; N79-W83 VanDerWaalsContact O-N 3.11Å; I80-W83 VanDerWaalsContact CA-CD1 3.42Å; I80-W83 PolarHBondContact O-NE1 2.83Å; K81-W83 PolarHBondContact O-N 3.35Å; W83-F102 HydrophobicContact CE3-CD1 4.46Å; W83-F102 AromaticContact CE3-CE1 3.84Å; W83-F102 HydrophobicContact CE3-CE1 3.84Å; W83-F102 AromaticContact CH2-CD1 3.22Å; W83-F102 HydrophobicContact CH2-CD1 3.22Å; W83-F102 AromaticContact CH2-CE1 3.46Å; W83-F102 HydrophobicContact CH2-CE1 3.46Å; W83-F102 VanDerWaalsContact CH2-CE1 3.46Å; W83-F102 HydrophobicContact CH2-CG 4.32Å; W83-F102 HydrophobicContact CZ2-CD1 4.11Å; W83-F102 HydrophobicContact CZ2-CE1 4.33Å; W83-F102 AromaticContact CZ3-CD1 3.46Å; W83-F102 HydrophobicContact CZ3-CD1 3.46Å; W83-F102 VanDerWaalsContact CZ3-CD1 3.46Å; W83-F102 AromaticContact CZ3-CE1 3.17Å; W83-F102 HydrophobicContact CZ3-CE1 3.17Å; W83-F102 HydrophobicContact CZ3-CZ 4.34Å; W83-L105 HydrophobicContact CH2-CD1 3.7Å; W83-L105 HydrophobicContact CZ3-CD1 4.38Å; W83-L170 HydrophobicContact CZ3-CD2 4.34Å; W83-W502 HydrophobicContact CZ3-CH2 4.01Å; W83-W502 HydrophobicContact CZ3-CZ2 4.34Å
84	Q	97.4	Very high	96.9	Very high	49 Å²	49	84 Å²	84	23%	0.229	44%	0.439	C	S	.	.	H	α-helix	trans	-82.1	-32	178.4	-67	-175.4	-18	0	0	113.2	I80 K81 P86 T87 L88 F102	I80-Q84 WeakPolarHBondContact O-CG 3.17Å; I80-Q84 PolarHBondContact O-N 3.39Å; K81-Q84 PolarHBondContact O-N 2.9Å; Q84-P86 VanDerWaalsContact C-CD 3.47Å; Q84-T87 PolarHBondContact O-N 3.08Å; Q84-L88 HydrophobicContact CB-CD1 3.83Å; Q84-L88 HydrophobicContact CB-CG 4.25Å; Q84-L88 WeakPolarHBondContact O-CG 3.41Å; Q84-L88 PolarHBondContact O-N 3.17Å; Q84-F102 HydrophobicContact CB-CE1 4.3Å; Q84-F102 HydrophobicContact CB-CE2 4.01Å; Q84-F102 HydrophobicContact CB-CZ 3.73Å; Q84-F102 HydrophobicContact CG-CD1 4.2Å; Q84-F102 HydrophobicContact CG-CD2 4.43Å; Q84-F102 HydrophobicContact CG-CE1 3.84Å; Q84-F102 HydrophobicContact CG-CE2 4.1Å; Q84-F102 HydrophobicContact CG-CG 4.46Å; Q84-F102 HydrophobicContact CG-CZ 3.76Å
85	E	97	Very high	96.8	Very high	105 Å²	105	86.7 Å²	86.7	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-53.5	-43.1	-172.1	-171.5	63.2	-152.5	0	0	114.3	K81 T87 L88 S89	K81-E85 VanDerWaalsContact O-CB 3.31Å; K81-E85 WeakPolarHBondContact O-CB 3.32Å; K81-E85 PolarHBondContact O-N 2.86Å; E85-T87 PolarHBondContact O-N 3.26Å; E85-T87 VanDerWaalsContact O-N 3.17Å; E85-L88 PolarHBondContact O-N 3.43Å; E85-S89 VanDerWaalsContact O-CB 3.28Å; E85-S89 WeakPolarHBondContact O-CB 3.48Å; E85-S89 PolarHBondContact O-N 3.35Å; E85-S89 PolarHBondContact O-OG 2.62Å
86	P	95.1	Very high	96.7	Very high	84 Å²	84	82.9 Å²	82.9	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-58.1	-32	178.9	-26.4	36	0	0	0	113.6	H82 Q84 K90	H82-P86 VanDerWaalsContact O-CD 3.27Å; H82-P86 WeakPolarHBondContact O-CD 3.46Å; Q84-P86 VanDerWaalsContact C-CD 3.47Å; P86-K90 WeakPolarHBondContact O-CB 3.47Å
87	T	96	Very high	96.7	Very high	8 Å²	8	79.5 Å²	79.5	5%	0.049	41%	0.411	C	S	.	.	H	α-helix	trans	-84.7	-44.1	177.1	-56.6	0	0	0	0	111.2	Q84 E85 S89 K90 L93 R98 V101 F102 H505	Q84-T87 PolarHBondContact O-N 3.08Å; E85-T87 PolarHBondContact O-N 3.26Å; E85-T87 VanDerWaalsContact O-N 3.17Å; T87-S89 PolarHBondContact O-N 3.45Å; T87-K90 PolarHBondContact O-N 3.37Å; T87-L93 HydrophobicContact CG2-CD1 3.99Å; T87-R98 VanDerWaalsContact O-CD 3.28Å; T87-R98 WeakPolarHBondContact O-CD 3.32Å; T87-R98 WeakPolarHBondContact O-CG 3.34Å; T87-V101 HydrophobicContact CG2-CG1 4.08Å; T87-F102 HydrophobicContact CG2-CE2 4.14Å; T87-F102 HydrophobicContact CG2-CZ 4.01Å; T87-H505 PolarHBondContact OG1-CE1 3.36Å; T87-H505 PolarHBondContact OG1-NE2 3.02Å
88	L	96.5	Very high	96.7	Very high	64 Å²	64	79.4 Å²	79.4	34%	0.335	40%	0.404	S	S	.	.	H	α-helix	trans	-65.4	-37.5	-177.8	-67.3	178.8	0	0	0	112.5	Q84 E85 R98 F102	Q84-L88 HydrophobicContact CB-CD1 3.83Å; Q84-L88 HydrophobicContact CB-CG 4.25Å; Q84-L88 WeakPolarHBondContact O-CG 3.41Å; Q84-L88 PolarHBondContact O-N 3.17Å; E85-L88 PolarHBondContact O-N 3.43Å; L88-R98 HydrophobicContact CD2-CB 4.33Å; L88-R98 WeakPolarHBondContact O-CD 3.31Å; L88-R98 PolarHBondContact O-NH1 3.22Å; L88-F102 HydrophobicContact CD2-CD2 4.22Å; L88-F102 HydrophobicContact CD2-CE2 3.74Å; L88-F102 HydrophobicContact CG-CE2 3.88Å
89	S	95.9	Very high	96.5	Very high	71 Å²	71	75.7 Å²	75.7	50%	0.497	39%	0.393	S	S	.	.	S	Bend	trans	-78.4	-17.1	-179.9	62.6	0	0	0	0	114	E85 T87 S91	E85-S89 VanDerWaalsContact O-CB 3.28Å; E85-S89 WeakPolarHBondContact O-CB 3.48Å; E85-S89 PolarHBondContact O-N 3.35Å; E85-S89 PolarHBondContact O-OG 2.62Å; T87-S89 PolarHBondContact O-N 3.45Å; S89-S91 PolarHBondContact O-N 3.43Å
90	K	95.2	Very high	96.4	Very high	82 Å²	82	71.3 Å²	71.3	36%	0.357	37%	0.37	S	S	.	.			trans	-75.5	90.4	-175.6	-166.2	170.1	-176.2	177.9	0	111.3	P86 T87 T92 L93	P86-K90 WeakPolarHBondContact O-CB 3.47Å; T87-K90 PolarHBondContact O-N 3.37Å; K90-T92 WeakPolarHBondContact CG-OG1 3.21Å; K90-T92 PolarHBondContact O-N 3.21Å; K90-T92 VanDerWaalsContact O-N 3.08Å; K90-L93 HydrophobicContact CB-CD1 4.09Å; K90-L93 HydrophobicContact CB-CG 4.18Å; K90-L93 HydrophobicContact CD-CD1 4.03Å; K90-L93 HydrophobicContact CD-CG 4.01Å; K90-L93 HydrophobicContact CG-CD1 4.29Å; K90-L93 HydrophobicContact CG-CG 4.01Å; K90-L93 WeakPolarHBondContact O-CB 3.27Å; K90-L93 PolarHBondContact O-N 3.05Å
91	S	94.9	Very high	96.4	Very high	106 Å²	106	67.2 Å²	67.2	74%	0.741	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.3	-177.3	66.4	0	0	0	0	114.9	S89	S89-S91 PolarHBondContact O-N 3.43Å
92	T	94.4	Very high	96.4	Very high	109 Å²	109	61.9 Å²	61.9	67%	0.669	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-16.4	173.1	64	0	0	0	0	112.3	K90	K90-T92 WeakPolarHBondContact CG-OG1 3.21Å; K90-T92 PolarHBondContact O-N 3.21Å; K90-T92 VanDerWaalsContact O-N 3.08Å
93	L	96.7	Very high	96.4	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.058	30%	0.303	C	S	.	.	S	Bend	trans	-86.3	140.4	175.3	-61.6	-179.5	0	0	0	111.1	T87 K90 Y97 R98 F460 L508	T87-L93 HydrophobicContact CG2-CD1 3.99Å; K90-L93 HydrophobicContact CB-CD1 4.09Å; K90-L93 HydrophobicContact CB-CG 4.18Å; K90-L93 HydrophobicContact CD-CD1 4.03Å; K90-L93 HydrophobicContact CD-CG 4.01Å; K90-L93 HydrophobicContact CG-CD1 4.29Å; K90-L93 HydrophobicContact CG-CG 4.01Å; K90-L93 WeakPolarHBondContact O-CB 3.27Å; K90-L93 PolarHBondContact O-N 3.05Å; L93-Y97 HydrophobicContact CB-CD1 4.34Å; L93-Y97 HydrophobicContact CD1-CD1 4.21Å; L93-Y97 HydrophobicContact CD1-CE1 4.15Å; L93-Y97 HydrophobicContact CD2-CD1 4.41Å; L93-Y97 HydrophobicContact CD2-CE1 4.43Å; L93-R98 HydrophobicContact CB-CG 3.83Å; L93-R98 HydrophobicContact CD1-CG 4.38Å; L93-F460 HydrophobicContact CD2-CZ 4.07Å; L93-L508 HydrophobicContact CD2-CD1 3.75Å
94	P	97.1	Very high	96.5	Very high	35 Å²	35	52.3 Å²	52.3	23%	0.227	29%	0.287	C	S	.	.			trans	-55.9	141.3	172.8	-24.2	34	0	0	0	112.1	W96 Y97 R98 F460	P94-W96 VanDerWaalsContact C-N 3.34Å; P94-W96 HydrophobicContact CB-CG 4.38Å; P94-W96 PolarHBondContact O-N 3.38Å; P94-Y97 PolarHBondContact O-N 3.25Å; P94-Y97 VanDerWaalsContact O-N 3.12Å; P94-R98 PolarHBondContact O-N 3.18Å; P94-R98 VanDerWaalsContact O-N 3.15Å; P94-F460 HydrophobicContact CG-CB 4.27Å; P94-F460 HydrophobicContact CG-CD1 3.8Å; P94-F460 HydrophobicContact CG-CD2 4.19Å; P94-F460 HydrophobicContact CG-CE1 4.13Å; P94-F460 HydrophobicContact CG-CE2 4.49Å; P94-F460 HydrophobicContact CG-CG 3.83Å; P94-F460 HydrophobicContact CG-CZ 4.46Å
95	E	95.8	Very high	96.5	Very high	155 Å²	155	50.9 Å²	50.9	72%	0.724	28%	0.28	S	S	*	.	H	α-helix	trans	-58.4	-43.6	-179.7	-174.4	177.9	177.5	0	0	112.9	Y97 R98	E95-Y97 VanDerWaalsContact C-N 3.26Å; E95-Y97 PolarHBondContact O-N 2.62Å; E95-R98 PolarHBondContact O-N 3.31Å
96	W	96.3	Very high	96.6	Very high	34 Å²	34	46.9 Å²	46.9	13%	0.129	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-39.7	177	72.3	-100.4	0	0	0	111.4	P94 S99 A100 F460 A463 E464 H467	P94-W96 VanDerWaalsContact C-N 3.34Å; P94-W96 HydrophobicContact CB-CG 4.38Å; P94-W96 PolarHBondContact O-N 3.38Å; W96-S99 PolarHBondContact O-N 3.17Å; W96-A100 HydrophobicContact CE3-CB 3.96Å; W96-A100 HydrophobicContact CZ3-CB 4.02Å; W96-A100 WeakPolarHBondContact O-CB 3.39Å; W96-A100 PolarHBondContact O-N 3.08Å; W96-F460 HydrophobicContact CH2-CD1 4.5Å; W96-F460 HydrophobicContact CZ2-CB 4.42Å; W96-F460 AromaticContact CZ2-CD1 3.96Å; W96-F460 HydrophobicContact CZ2-CD1 3.96Å; W96-F460 VanDerWaalsContact CZ2-O 3.31Å; W96-F460 WeakPolarHBondContact CZ2-O 2.85Å; W96-A463 HydrophobicContact CH2-CB 3.6Å; W96-A463 HydrophobicContact CZ2-CB 4.3Å; W96-A463 HydrophobicContact CZ3-CB 4.5Å; W96-E464 VanDerWaalsContact CD1-CD 3.48Å; W96-E464 VanDerWaalsContact CD1-OE1 3.24Å; W96-E464 HydrophobicContact CD2-CB 4.1Å; W96-E464 HydrophobicContact CD2-CG 3.98Å; W96-E464 VanDerWaalsContact CE2-CB 3.47Å; W96-E464 HydrophobicContact CG-CG 4.05Å; W96-E464 HydrophobicContact CH2-CB 4.27Å; W96-E464 HydrophobicContact CZ2-CB 3.58Å; W96-E464 HydrophobicContact CZ2-CG 4.35Å; W96-H467 HydrophobicContact CE3-CB 3.99Å; W96-H467 AromaticContact CE3-CD2 3.68Å; W96-H467 AromaticContact CE3-CG 3.9Å; W96-H467 HydrophobicContact CZ3-CB 3.91Å
97	Y	98.1	Very high	96.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.5	-40.8	-176.4	175.3	-102.4	0	0	0	111.6	L93 P94 E95 S99 A100 V101 F460 I501 I504 H505 L508	L93-Y97 HydrophobicContact CB-CD1 4.34Å; L93-Y97 HydrophobicContact CD1-CD1 4.21Å; L93-Y97 HydrophobicContact CD1-CE1 4.15Å; L93-Y97 HydrophobicContact CD2-CD1 4.41Å; L93-Y97 HydrophobicContact CD2-CE1 4.43Å; P94-Y97 PolarHBondContact O-N 3.25Å; P94-Y97 VanDerWaalsContact O-N 3.12Å; E95-Y97 VanDerWaalsContact C-N 3.26Å; E95-Y97 PolarHBondContact O-N 2.62Å; Y97-S99 PolarHBondContact O-N 2.89Å; Y97-S99 VanDerWaalsContact O-N 3.12Å; Y97-A100 PolarHBondContact O-N 2.97Å; Y97-V101 HydrophobicContact CE2-CB 4.26Å; Y97-V101 WeakPolarHBondContact O-CG1 3.2Å; Y97-V101 PolarHBondContact O-N 2.81Å; Y97-F460 HydrophobicContact CD1-CE1 4.03Å; Y97-F460 HydrophobicContact CD2-CE1 4.12Å; Y97-F460 HydrophobicContact CE1-CE1 4.42Å; Y97-F460 HydrophobicContact CG-CD1 4.46Å; Y97-F460 AromaticContact CG-CE1 3.87Å; Y97-F460 HydrophobicContact CG-CE1 3.87Å; Y97-I501 HydrophobicContact CD2-CD1 4.22Å; Y97-I501 HydrophobicContact CD2-CG1 4.35Å; Y97-I501 HydrophobicContact CE2-CD1 4.15Å; Y97-I501 HydrophobicContact CE2-CG1 3.81Å; Y97-I504 HydrophobicContact CE2-CB 4.07Å; Y97-I504 HydrophobicContact CE2-CD1 4.12Å; Y97-I504 HydrophobicContact CE2-CG2 3.81Å; Y97-I504 WeakPolarHBondContact OH-CG2 3.3Å; Y97-H505 WeakPolarHBondContact OH-CB 3.48Å; Y97-H505 PolarHBondContact OH-N 3.18Å; Y97-L508 HydrophobicContact CE1-CD1 4.18Å
98	R	96.8	Very high	96.8	Very high	63 Å²	63	43.1 Å²	43.1	24%	0.238	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-26.9	176.8	-70.4	-174.6	-75.5	157	2.2	112.6	T87 L88 L93 P94 E95 F102	T87-R98 VanDerWaalsContact O-CD 3.28Å; T87-R98 WeakPolarHBondContact O-CD 3.32Å; T87-R98 WeakPolarHBondContact O-CG 3.34Å; L88-R98 HydrophobicContact CD2-CB 4.33Å; L88-R98 WeakPolarHBondContact O-CD 3.31Å; L88-R98 PolarHBondContact O-NH1 3.22Å; L93-R98 HydrophobicContact CB-CG 3.83Å; L93-R98 HydrophobicContact CD1-CG 4.38Å; P94-R98 PolarHBondContact O-N 3.18Å; P94-R98 VanDerWaalsContact O-N 3.15Å; E95-R98 PolarHBondContact O-N 3.31Å; R98-F102 WeakPolarHBondContact O-CD2 3.5Å; R98-F102 WeakPolarHBondContact O-CE2 3.39Å
99	S	94.2	Very high	96.9	Very high	58 Å²	58	45.2 Å²	45.2	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-90.1	-46.1	172.8	-178.2	0	0	0	0	112.5	W96 Y97 V101 F102 N103	W96-S99 PolarHBondContact O-N 3.17Å; Y97-S99 PolarHBondContact O-N 2.89Å; Y97-S99 VanDerWaalsContact O-N 3.12Å; S99-V101 VanDerWaalsContact C-N 3.35Å; S99-V101 PolarHBondContact O-N 3.23Å; S99-F102 PolarHBondContact O-N 3.3Å; S99-N103 PolarHBondContact O-N 3.43Å; S99-N103 VanDerWaalsContact O-N 3.08Å; S99-N103 PolarHBondContact O-ND2 3.46Å; S99-N103 PolarHBondContact OG-ND2 3.48Å
100	A	97.1	Very high	96.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.4	-44.5	-175.1	0	0	0	0	0	112.8	W96 Y97 F102 N103 E104 H467 I501	W96-A100 HydrophobicContact CE3-CB 3.96Å; W96-A100 HydrophobicContact CZ3-CB 4.02Å; W96-A100 WeakPolarHBondContact O-CB 3.39Å; W96-A100 PolarHBondContact O-N 3.08Å; Y97-A100 PolarHBondContact O-N 2.97Å; A100-F102 PolarHBondContact O-N 3.15Å; A100-N103 PolarHBondContact O-N 3.31Å; A100-N103 VanDerWaalsContact O-N 3.14Å; A100-E104 WeakPolarHBondContact O-CG 3.13Å; A100-E104 PolarHBondContact O-N 3.45Å; A100-H467 WeakPolarHBondContact CB-ND1 3.5Å; A100-I501 HydrophobicContact CB-CD1 3.7Å
101	V	97.8	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-35.5	-176.6	69.2	0	0	0	0	112.7	T87 Y97 S99 W502 H505	T87-V101 HydrophobicContact CG2-CG1 4.08Å; Y97-V101 HydrophobicContact CE2-CB 4.26Å; Y97-V101 WeakPolarHBondContact O-CG1 3.2Å; Y97-V101 PolarHBondContact O-N 2.81Å; S99-V101 VanDerWaalsContact C-N 3.35Å; S99-V101 PolarHBondContact O-N 3.23Å; V101-W502 HydrophobicContact CG2-CD2 4.23Å; V101-W502 HydrophobicContact CG2-CZ2 3.83Å; V101-W502 PolarHBondContact O-NE1 2.87Å; V101-H505 HydrophobicContact CG2-CB 4.27Å
102	F	97.8	Very high	97.2	Very high	23 Å²	23	38.5 Å²	38.5	10%	0.101	21%	0.213	C	C	.	.	H	α-helix	trans	-82.6	-38	176.7	-60.4	-51.6	0	0	0	112.5	W83 Q84 T87 L88 R98 S99 A100 E104 L105 W502	W83-F102 HydrophobicContact CE3-CD1 4.46Å; W83-F102 AromaticContact CE3-CE1 3.84Å; W83-F102 HydrophobicContact CE3-CE1 3.84Å; W83-F102 AromaticContact CH2-CD1 3.22Å; W83-F102 HydrophobicContact CH2-CD1 3.22Å; W83-F102 AromaticContact CH2-CE1 3.46Å; W83-F102 HydrophobicContact CH2-CE1 3.46Å; W83-F102 VanDerWaalsContact CH2-CE1 3.46Å; W83-F102 HydrophobicContact CH2-CG 4.32Å; W83-F102 HydrophobicContact CZ2-CD1 4.11Å; W83-F102 HydrophobicContact CZ2-CE1 4.33Å; W83-F102 AromaticContact CZ3-CD1 3.46Å; W83-F102 HydrophobicContact CZ3-CD1 3.46Å; W83-F102 VanDerWaalsContact CZ3-CD1 3.46Å; W83-F102 AromaticContact CZ3-CE1 3.17Å; W83-F102 HydrophobicContact CZ3-CE1 3.17Å; W83-F102 HydrophobicContact CZ3-CZ 4.34Å; Q84-F102 HydrophobicContact CB-CE1 4.3Å; Q84-F102 HydrophobicContact CB-CE2 4.01Å; Q84-F102 HydrophobicContact CB-CZ 3.73Å; Q84-F102 HydrophobicContact CG-CD1 4.2Å; Q84-F102 HydrophobicContact CG-CD2 4.43Å; Q84-F102 HydrophobicContact CG-CE1 3.84Å; Q84-F102 HydrophobicContact CG-CE2 4.1Å; Q84-F102 HydrophobicContact CG-CG 4.46Å; Q84-F102 HydrophobicContact CG-CZ 3.76Å; T87-F102 HydrophobicContact CG2-CE2 4.14Å; T87-F102 HydrophobicContact CG2-CZ 4.01Å; L88-F102 HydrophobicContact CD2-CD2 4.22Å; L88-F102 HydrophobicContact CD2-CE2 3.74Å; L88-F102 HydrophobicContact CG-CE2 3.88Å; R98-F102 WeakPolarHBondContact O-CD2 3.5Å; R98-F102 WeakPolarHBondContact O-CE2 3.39Å; S99-F102 PolarHBondContact O-N 3.3Å; A100-F102 PolarHBondContact O-N 3.15Å; F102-E104 PolarHBondContact O-N 3.01Å; F102-L105 VanDerWaalsContact O-CB 3.31Å; F102-L105 WeakPolarHBondContact O-CB 3.49Å; F102-L105 PolarHBondContact O-N 2.94Å; F102-W502 HydrophobicContact CD1-CZ2 4.38Å
103	N	97.5	Very high	97.4	Very high	40 Å²	40	34.6 Å²	34.6	21%	0.214	19%	0.189	C	C	.	.	H	α-helix	trans	-71	-30.3	-176.7	-79	-46.2	0	0	0	113	S99 A100 L105 Y106 F471 Y478	S99-N103 PolarHBondContact O-N 3.43Å; S99-N103 VanDerWaalsContact O-N 3.08Å; S99-N103 PolarHBondContact O-ND2 3.46Å; S99-N103 PolarHBondContact OG-ND2 3.48Å; A100-N103 PolarHBondContact O-N 3.31Å; A100-N103 VanDerWaalsContact O-N 3.14Å; N103-L105 PolarHBondContact O-N 3.32Å; N103-Y106 WeakPolarHBondContact O-CB 3.37Å; N103-Y106 WeakPolarHBondContact O-CD1 3.46Å; N103-Y106 PolarHBondContact O-N 2.83Å; N103-F471 HydrophobicContact CB-CE1 4.06Å; N103-F471 HydrophobicContact CB-CZ 4.02Å; N103-Y478 HydrophobicContact CB-CE1 4.16Å; N103-Y478 PolarHBondContact OD1-OH 3.37Å
104	E	98.2	Very high	97.4	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.009	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-67.2	-20.1	173.6	-64.9	-69	-179.6	0	0	112.6	A100 F102 Y106 F107 Y444 F471 T480 L499 I501	A100-E104 WeakPolarHBondContact O-CG 3.13Å; A100-E104 PolarHBondContact O-N 3.45Å; F102-E104 PolarHBondContact O-N 3.01Å; E104-Y106 WeakPolarHBondContact O-CD1 3.39Å; E104-Y106 PolarHBondContact O-N 2.92Å; E104-Y106 VanDerWaalsContact O-N 3.15Å; E104-F107 PolarHBondContact O-N 2.65Å; E104-Y444 HydrophobicContact CG-CE2 4.4Å; E104-Y444 PolarHBondContact OE1-OH 2.99Å; E104-F471 WeakPolarHBondContact OE1-CE2 3.26Å; E104-T480 PolarHBondContact OE1-OG1 3.19Å; E104-T480 WeakPolarHBondContact OE2-CB 3.31Å; E104-T480 PolarHBondContact OE2-OG1 3.1Å; E104-L499 VanDerWaalsContact O-CD2 3.3Å; E104-L499 WeakPolarHBondContact O-CD2 3.44Å; E104-I501 HydrophobicContact CB-CG2 3.86Å; E104-I501 HydrophobicContact CG-CD1 4.44Å; E104-I501 HydrophobicContact CG-CG2 3.98Å
105	L	98.5	Very high	97.5	Very high	19 Å²	19	36.9 Å²	36.9	10%	0.099	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-66.1	-12.6	175.2	-68.4	175.4	0	0	0	113.8	W83 F102 N103 F107 L108 A166 L170 L499 W502	W83-L105 HydrophobicContact CH2-CD1 3.7Å; W83-L105 HydrophobicContact CZ3-CD1 4.38Å; F102-L105 VanDerWaalsContact O-CB 3.31Å; F102-L105 WeakPolarHBondContact O-CB 3.49Å; F102-L105 PolarHBondContact O-N 2.94Å; N103-L105 PolarHBondContact O-N 3.32Å; L105-F107 PolarHBondContact O-N 2.94Å; L105-L108 HydrophobicContact CD2-CD1 3.75Å; L105-L108 WeakPolarHBondContact O-CB 3.28Å; L105-L108 PolarHBondContact O-N 3.05Å; L105-A166 HydrophobicContact CD2-CB 4.04Å; L105-L170 HydrophobicContact CD1-CD1 3.76Å; L105-L170 HydrophobicContact CD2-CD1 3.75Å; L105-L170 HydrophobicContact CG-CD1 4.42Å; L105-L499 HydrophobicContact CD2-CD2 4.19Å; L105-W502 HydrophobicContact CD1-CH2 4.46Å; L105-W502 HydrophobicContact CD1-CZ2 3.56Å; L105-W502 HydrophobicContact CD2-CD2 4.39Å; L105-W502 HydrophobicContact CD2-CZ2 4.07Å; L105-W502 VanDerWaalsContact CD2-NE1 3.27Å; L105-W502 HydrophobicContact CG-CZ2 3.96Å
106	Y	98.4	Very high	97.5	Very high	20 Å²	20	29.5 Å²	29.5	8%	0.078	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-50	-33.3	175.5	86.3	-75.4	0	0	0	111.6	N103 E104 L108 T109 D110 W149 Y478 Q479 T480	N103-Y106 WeakPolarHBondContact O-CB 3.37Å; N103-Y106 WeakPolarHBondContact O-CD1 3.46Å; N103-Y106 PolarHBondContact O-N 2.83Å; E104-Y106 WeakPolarHBondContact O-CD1 3.39Å; E104-Y106 PolarHBondContact O-N 2.92Å; E104-Y106 VanDerWaalsContact O-N 3.15Å; Y106-L108 PolarHBondContact O-N 2.76Å; Y106-T109 PolarHBondContact O-N 2.99Å; Y106-T109 VanDerWaalsContact O-N 3.08Å; Y106-T109 PolarHBondContact O-OG1 3.28Å; Y106-D110 HydrophobicContact CD2-CB 4.02Å; Y106-D110 HydrophobicContact CE2-CB 4.35Å; Y106-D110 PolarHBondContact O-N 2.82Å; Y106-W149 HydrophobicContact CE2-CH2 4.42Å; Y106-W149 HydrophobicContact CE2-CZ2 4.13Å; Y106-Y478 HydrophobicContact CD1-CD1 4.17Å; Y106-Y478 HydrophobicContact CD2-CD1 4.24Å; Y106-Y478 WeakPolarHBondContact CE2-O 3.29Å; Y106-Y478 AromaticContact CG-CD1 3.73Å; Y106-Y478 HydrophobicContact CG-CD1 3.73Å; Y106-Y478 HydrophobicContact CG-CG 4.47Å; Y106-Q479 VanDerWaalsContact OH-CA 3.23Å; Y106-Q479 WeakPolarHBondContact OH-CA 3.12Å; Y106-Q479 PolarHBondContact OH-N 2.82Å; Y106-T480 PolarHBondContact OH-N 3.22Å
107	F	98.5	Very high	97.6	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-67.8	-24	-176.5	-165.5	-102.9	0	0	0	113.2	E104 L105 T109 G111 Y145 L146 G494 M496 L499	E104-F107 PolarHBondContact O-N 2.65Å; L105-F107 PolarHBondContact O-N 2.94Å; F107-T109 PolarHBondContact O-N 3.25Å; F107-G111 VanDerWaalsContact CE2-CA 3.44Å; F107-G111 VanDerWaalsContact CZ-CA 3.5Å; F107-G111 VanDerWaalsContact O-CA 3.24Å; F107-G111 WeakPolarHBondContact O-CA 3.19Å; F107-G111 PolarHBondContact O-N 3.3Å; F107-Y145 HydrophobicContact CD1-CD2 4.34Å; F107-Y145 HydrophobicContact CE1-CD2 4.08Å; F107-L146 WeakPolarHBondContact CE1-O 3.43Å; F107-L146 VanDerWaalsContact CZ-O 3.25Å; F107-L146 WeakPolarHBondContact CZ-O 3.29Å; F107-G494 WeakPolarHBondContact CE2-O 3.32Å; F107-G494 WeakPolarHBondContact CZ-O 3.44Å; F107-M496 HydrophobicContact CD1-CB 4.28Å; F107-M496 HydrophobicContact CE1-CB 3.66Å; F107-M496 HydrophobicContact CZ-CB 4.46Å; F107-L499 HydrophobicContact CD1-CD1 4.15Å
108	L	98.1	Very high	97.5	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.068	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-22.4	174.2	-67.2	179.4	0	0	0	112.7	L105 Y106 T113 Y145 L167 W171 L499	L105-L108 HydrophobicContact CD2-CD1 3.75Å; L105-L108 WeakPolarHBondContact O-CB 3.28Å; L105-L108 PolarHBondContact O-N 3.05Å; Y106-L108 PolarHBondContact O-N 2.76Å; L108-T113 WeakPolarHBondContact O-CB 3.18Å; L108-T113 WeakPolarHBondContact O-CG2 3.43Å; L108-T113 PolarHBondContact O-OG1 2.87Å; L108-Y145 HydrophobicContact CD2-CE2 4.28Å; L108-L167 HydrophobicContact CD1-CD2 4.43Å; L108-L167 HydrophobicContact CD2-CD2 4.05Å; L108-L167 HydrophobicContact CD2-CG 4.18Å; L108-W171 HydrophobicContact CD1-CE3 3.87Å; L108-W171 HydrophobicContact CD1-CH2 4.02Å; L108-W171 HydrophobicContact CD1-CZ3 3.22Å; L108-L499 HydrophobicContact CD2-CD1 3.63Å; L108-L499 HydrophobicContact CG-CD1 4.11Å; L108-L499 HydrophobicContact CG-CD2 4.15Å
109	T	97.1	Very high	97.4	Very high	107 Å²	107	32.2 Å²	32.2	66%	0.656	18%	0.176	S	C	*	.	H	α-helix	trans	-100.6	-37.4	173.8	54.1	0	0	0	0	112.4	Y106 F107	Y106-T109 PolarHBondContact O-N 2.99Å; Y106-T109 VanDerWaalsContact O-N 3.08Å; Y106-T109 PolarHBondContact O-OG1 3.28Å; F107-T109 PolarHBondContact O-N 3.25Å
110	D	97.6	Very high	97.3	Very high	86 Å²	86	35 Å²	35	46%	0.46	19%	0.186	S	C	.	.	H	α-helix	trans	-91.5	-8.6	-175.4	-79	0.1	0	0	0	114.2	Y106 G112 W149	Y106-D110 HydrophobicContact CD2-CB 4.02Å; Y106-D110 HydrophobicContact CE2-CB 4.35Å; Y106-D110 PolarHBondContact O-N 2.82Å; D110-G112 PolarHBondContact O-N 3.33Å; D110-W149 HydrophobicContact CB-CZ2 4.18Å; D110-W149 PolarHBondContact O-NE1 3.12Å
111	G	98	Very high	97.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-74.4	33	-179.7	0	0	0	0	0	114.2	F107 T113 L146	F107-G111 VanDerWaalsContact CE2-CA 3.44Å; F107-G111 VanDerWaalsContact CZ-CA 3.5Å; F107-G111 VanDerWaalsContact O-CA 3.24Å; F107-G111 WeakPolarHBondContact O-CA 3.19Å; F107-G111 PolarHBondContact O-N 3.3Å; G111-T113 PolarHBondContact O-N 2.87Å; G111-L146 VanDerWaalsContact O-CB 3.25Å; G111-L146 WeakPolarHBondContact O-CB 3.31Å; G111-L146 WeakPolarHBondContact O-CG 3.11Å; G111-L146 PolarHBondContact O-N 3.1Å
112	G	96.9	Very high	96.8	Very high	33 Å²	33	37.1 Å²	37.1	34%	0.34	20%	0.2	S	C	.	.			trans	60.4	28.5	-174.5	0	0	0	0	0	113.3	D110 V114 Y154	D110-G112 PolarHBondContact O-N 3.33Å; G112-V114 PolarHBondContact O-N 3.44Å; G112-Y154 WeakPolarHBondContact O-CE1 3.48Å; G112-Y154 PolarHBondContact O-OH 3.42Å
113	T	98.2	Very high	96.5	Very high	27 Å²	27	41.3 Å²	41.3	17%	0.166	22%	0.218	C	C	.	.			trans	-61	134.1	-170	-53.6	0	0	0	0	112.6	L108 G111 F143 A144	L108-T113 WeakPolarHBondContact O-CB 3.18Å; L108-T113 WeakPolarHBondContact O-CG2 3.43Å; L108-T113 PolarHBondContact O-OG1 2.87Å; G111-T113 PolarHBondContact O-N 2.87Å; T113-F143 HydrophobicContact CG2-CD2 4.28Å; T113-F143 HydrophobicContact CG2-CE2 3.4Å; T113-F143 VanDerWaalsContact CG2-CE2 3.4Å; T113-F143 HydrophobicContact CG2-CZ 3.75Å; T113-A144 CarbonylContact C-O 3.59Å; T113-A144 WeakPolarHBondContact CA-O 3.44Å
114	V	97.6	Very high	96.3	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.3	172	-66.2	0	0	0	0	109.6	F41 G112 F116 A144 Y154 W223	F41-V114 HydrophobicContact CE1-CG1 4.24Å; F41-V114 HydrophobicContact CZ-CG1 4.02Å; F41-V114 HydrophobicContact CZ-CG2 4.32Å; G112-V114 PolarHBondContact O-N 3.44Å; V114-F116 HydrophobicContact CB-CE1 3.99Å; V114-F116 HydrophobicContact CB-CE2 3.82Å; V114-F116 HydrophobicContact CB-CZ 3.52Å; V114-F116 HydrophobicContact CG1-CE1 4.33Å; V114-F116 HydrophobicContact CG1-CE2 4.41Å; V114-F116 HydrophobicContact CG1-CZ 3.77Å; V114-F116 HydrophobicContact CG2-CE2 3.98Å; V114-F116 HydrophobicContact CG2-CZ 4.17Å; V114-A144 HydrophobicContact CG2-CB 3.72Å; V114-A144 PolarHBondContact N-O 2.92Å; V114-A144 PolarHBondContact O-N 3.01Å; V114-Y154 HydrophobicContact CG2-CE1 3.98Å; V114-W223 HydrophobicContact CG2-CH2 4.01Å
115	W	98.1	Very high	95.9	Very high	88 Å²	88	50.7 Å²	50.7	33%	0.333	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	113.2	174.8	-171.9	17.8	0	0	0	108.1	R50 W51 F140 R142 F143 L174	R50-W115 CarbonylContact C-O 3.36Å; R50-W115 WeakPolarHBondContact CA-O 3.31Å; W51-W115 HydrophobicContact CB-CB 4.13Å; W51-W115 HydrophobicContact CB-CD2 3.49Å; W51-W115 VanDerWaalsContact CB-CD2 3.49Å; W51-W115 HydrophobicContact CB-CE3 3.91Å; W51-W115 HydrophobicContact CB-CG 3.57Å; W51-W115 WeakPolarHBondContact CB-O 3.37Å; W51-W115 AromaticContact CD1-CD2 3.57Å; W51-W115 AromaticContact CD1-CE2 3.38Å; W51-W115 AromaticContact CD1-CE3 3.52Å; W51-W115 AromaticContact CD1-CH2 3.21Å; W51-W115 AromaticContact CD1-CZ2 3.22Å; W51-W115 AromaticContact CD1-CZ3 3.35Å; W51-W115 HydrophobicContact CD2-CD2 4.24Å; W51-W115 AromaticContact CD2-CE2 3.62Å; W51-W115 AromaticContact CD2-CZ2 3.79Å; W51-W115 HydrophobicContact CD2-CZ2 3.79Å; W51-W115 AromaticContact CD2-NE1 3.69Å; W51-W115 AromaticContact CE2-CE2 3.87Å; W51-W115 AromaticContact CE2-CZ2 3.51Å; W51-W115 AromaticContact CE3-NE1 3.98Å; W51-W115 AromaticContact CG-CD2 3.47Å; W51-W115 HydrophobicContact CG-CD2 3.47Å; W51-W115 VanDerWaalsContact CG-CD2 3.47Å; W51-W115 AromaticContact CG-CE2 3.33Å; W51-W115 AromaticContact CG-CE3 3.85Å; W51-W115 HydrophobicContact CG-CE3 3.85Å; W51-W115 AromaticContact CG-CG 3.99Å; W51-W115 HydrophobicContact CG-CG 3.99Å; W51-W115 HydrophobicContact CG-CH2 4.04Å; W51-W115 AromaticContact CG-CZ2 3.64Å; W51-W115 HydrophobicContact CG-CZ2 3.64Å; W51-W115 HydrophobicContact CG-CZ3 4.12Å; W51-W115 AromaticContact CG-NE1 3.72Å; W51-W115 HydrophobicContact CZ2-CZ2 4.27Å; W51-W115 PolarHBondContact N-O 3.46Å; W51-W115 AromaticContact NE1-CE2 3.67Å; W51-W115 AromaticContact NE1-CH2 3.22Å; W51-W115 AromaticContact NE1-CZ2 3.08Å; W51-W115 AromaticContact NE1-CZ3 3.87Å; W115-F140 PolarHBondContact NE1-O 2.89Å; W115-R142 CarbonylContact C-O 3.45Å; W115-R142 VanDerWaalsContact CA-O 3.31Å; W115-R142 WeakPolarHBondContact CA-O 3.47Å; W115-F143 HydrophobicContact CB-CD2 4.18Å; W115-F143 HydrophobicContact CG-CD2 4.21Å; W115-L174 HydrophobicContact CD2-CD2 4.43Å; W115-L174 HydrophobicContact CH2-CD2 4.48Å; W115-L174 HydrophobicContact CZ2-CD2 3.62Å
116	F	97.7	Very high	95.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.9	-170.3	-60.2	-42.1	0	0	0	112.6	V39 F41 Y48 K49 V114 W122 G141 R142 W223	V39-F116 HydrophobicContact CB-CE1 3.63Å; V39-F116 HydrophobicContact CB-CZ 3.78Å; V39-F116 HydrophobicContact CG1-CE1 4.13Å; V39-F116 HydrophobicContact CG1-CZ 3.81Å; V39-F116 HydrophobicContact CG2-CE1 3.72Å; V39-F116 HydrophobicContact CG2-CZ 4.26Å; F41-F116 AromaticContact CE2-CE2 3.61Å; F41-F116 HydrophobicContact CE2-CE2 3.61Å; F41-F116 AromaticContact CE2-CZ 3.82Å; F41-F116 HydrophobicContact CE2-CZ 3.82Å; F41-F116 AromaticContact CZ-CE2 3.64Å; F41-F116 HydrophobicContact CZ-CE2 3.64Å; F41-F116 AromaticContact CZ-CZ 3.6Å; F41-F116 HydrophobicContact CZ-CZ 3.6Å; Y48-F116 HydrophobicContact CD1-CB 4.34Å; Y48-F116 AromaticContact CD1-CD2 3.44Å; Y48-F116 HydrophobicContact CD1-CD2 3.44Å; Y48-F116 VanDerWaalsContact CD1-CD2 3.44Å; Y48-F116 AromaticContact CD1-CE2 3.81Å; Y48-F116 HydrophobicContact CD1-CE2 3.81Å; Y48-F116 AromaticContact CD1-CG 3.95Å; Y48-F116 HydrophobicContact CD1-CG 3.95Å; Y48-F116 HydrophobicContact CD2-CE2 4.12Å; Y48-F116 HydrophobicContact CD2-CZ 4.41Å; Y48-F116 HydrophobicContact CE1-CD2 4.16Å; Y48-F116 HydrophobicContact CE1-CE2 4.42Å; Y48-F116 HydrophobicContact CG-CD1 4.41Å; Y48-F116 AromaticContact CG-CD2 3.65Å; Y48-F116 HydrophobicContact CG-CD2 3.65Å; Y48-F116 HydrophobicContact CG-CE1 4.41Å; Y48-F116 AromaticContact CG-CE2 3.62Å; Y48-F116 HydrophobicContact CG-CE2 3.62Å; Y48-F116 HydrophobicContact CG-CG 4.06Å; Y48-F116 HydrophobicContact CG-CZ 4.01Å; K49-F116 CarbonylContact O-C 3.51Å; K49-F116 VanDerWaalsContact O-CA 3.25Å; K49-F116 WeakPolarHBondContact O-CA 3.22Å; V114-F116 HydrophobicContact CB-CE1 3.99Å; V114-F116 HydrophobicContact CB-CE2 3.82Å; V114-F116 HydrophobicContact CB-CZ 3.52Å; V114-F116 HydrophobicContact CG1-CE1 4.33Å; V114-F116 HydrophobicContact CG1-CE2 4.41Å; V114-F116 HydrophobicContact CG1-CZ 3.77Å; V114-F116 HydrophobicContact CG2-CE2 3.98Å; V114-F116 HydrophobicContact CG2-CZ 4.17Å; F116-W122 HydrophobicContact CB-CH2 4.41Å; F116-W122 HydrophobicContact CB-CZ2 4.48Å; F116-G141 CarbonylContact O-C 3.58Å; F116-G141 WeakPolarHBondContact O-CA 3.48Å; F116-R142 HydrophobicContact CB-CB 4.46Å; F116-R142 PolarHBondContact N-O 2.95Å; F116-R142 PolarHBondContact O-N 3.43Å; F116-W223 AromaticContact CD2-CH2 3.52Å; F116-W223 HydrophobicContact CD2-CH2 3.52Å; F116-W223 AromaticContact CD2-CZ3 3.9Å; F116-W223 HydrophobicContact CD2-CZ3 3.9Å; F116-W223 AromaticContact CE2-CH2 3.46Å; F116-W223 HydrophobicContact CE2-CH2 3.46Å; F116-W223 VanDerWaalsContact CE2-CH2 3.46Å; F116-W223 AromaticContact CE2-CZ3 3.69Å; F116-W223 HydrophobicContact CE2-CZ3 3.69Å
117	K	97.1	Very high	95.4	Very high	52 Å²	52	54.3 Å²	54.3	23%	0.226	29%	0.29	C	S	.	.			trans	-62.3	137.2	166.8	-177.7	173.8	178.5	174.7	0	108.4	K49 W51 N54 D57 W122	K49-K117 HydrophobicContact CB-CB 4.27Å; K49-K117 PolarHBondContact O-N 3.13Å; W51-K117 HydrophobicContact CE3-CB 4.49Å; N54-K117 WeakPolarHBondContact OD1-CD 3.08Å; N54-K117 WeakPolarHBondContact OD1-CE 3.36Å; D57-K117 IonicContact OD2-NZ 3.09Å; D57-K117 PolarHBondContact OD2-NZ 2.99Å; D57-K117 VanDerWaalsContact OD2-NZ 3.09Å; K117-W122 WeakPolarHBondContact O-CH2 3.44Å
118	Y	96.1	Very high	95.2	Very high	27 Å²	27	56.2 Å²	56.2	11%	0.106	30%	0.299	C	S	.	.			trans	-58.8	140.5	175.7	175.4	-90.4	0	0	0	111	D120 W122 L134 A137 R138	Y118-D120 VanDerWaalsContact CE1-OD1 3.31Å; Y118-D120 WeakPolarHBondContact CE1-OD1 3.26Å; Y118-W122 AromaticContact CD2-CE3 3.72Å; Y118-W122 HydrophobicContact CD2-CE3 3.72Å; Y118-W122 AromaticContact CD2-CZ3 3.78Å; Y118-W122 HydrophobicContact CD2-CZ3 3.78Å; Y118-W122 HydrophobicContact CE2-CE3 4.1Å; Y118-W122 HydrophobicContact CG-CE3 4.5Å; Y118-W122 HydrophobicContact CG-CZ3 4.36Å; Y118-L134 HydrophobicContact CE2-CB 4.33Å; Y118-L134 HydrophobicContact CE2-CD2 3.9Å; Y118-A137 HydrophobicContact CD2-CB 3.98Å; Y118-R138 HydrophobicContact CD1-CB 4.14Å; Y118-R138 HydrophobicContact CD1-CG 3.91Å; Y118-R138 HydrophobicContact CD2-CB 4.23Å; Y118-R138 HydrophobicContact CE1-CB 4.41Å; Y118-R138 HydrophobicContact CE1-CG 4.23Å; Y118-R138 HydrophobicContact CE2-CB 4.48Å; Y118-R138 HydrophobicContact CG-CB 4.06Å; Y118-R138 HydrophobicContact CG-CG 4.26Å; Y118-R138 PolarHBondContact OH-NH2 2.79Å
119	D	94	Very high	95.1	Very high	75 Å²	75	56.4 Å²	56.4	40%	0.401	30%	0.3	S	S	.	.			trans	-125.1	131.7	174.8	-161.6	-37.9	0	0	0	109.3	C121 W122	D119-C121 PolarHBondContact O-N 3.28Å; D119-C121 PolarHBondContact OD1-N 3.42Å; D119-C121 VanDerWaalsContact OD1-N 3.1Å; D119-C121 PolarHBondContact OD1-SG 2.9Å; D119-C121 VanDerWaalsContact OD1-SG 3.36Å; D119-W122 HydrophobicContact CB-CD2 4.39Å; D119-W122 HydrophobicContact CB-CG 4.44Å; D119-W122 HydrophobicContact CB-CZ2 4.32Å; D119-W122 WeakPolarHBondContact O-CB 3.46Å; D119-W122 VanDerWaalsContact O-CG 3.3Å; D119-W122 PolarHBondContact O-N 3.37Å; D119-W122 VanDerWaalsContact O-N 3.16Å
120	D	92.6	Very high	95.1	Very high	115 Å²	115	52.6 Å²	52.6	62%	0.615	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.8	-180	-76.9	-49	0	0	0	112.2	Y118 W122 K123	Y118-D120 VanDerWaalsContact CE1-OD1 3.31Å; Y118-D120 WeakPolarHBondContact CE1-OD1 3.26Å; D120-W122 PolarHBondContact O-N 3.07Å; D120-W122 VanDerWaalsContact O-N 3.15Å; D120-K123 PolarHBondContact O-N 2.82Å
121	C	92.6	Very high	95.1	Very high	39 Å²	39	52.7 Å²	52.7	26%	0.264	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22	177.4	72.6	0	0	0	0	113.2	D119 K123 E124 D125	D119-C121 PolarHBondContact O-N 3.28Å; D119-C121 PolarHBondContact OD1-N 3.42Å; D119-C121 VanDerWaalsContact OD1-N 3.1Å; D119-C121 PolarHBondContact OD1-SG 2.9Å; D119-C121 VanDerWaalsContact OD1-SG 3.36Å; C121-K123 PolarHBondContact O-N 3.09Å; C121-E124 PolarHBondContact O-N 3.41Å; C121-D125 PolarHBondContact O-N 2.89Å; C121-D125 PolarHBondContact SG-OD2 3.33Å
122	W	92.5	Very high	95.1	Very high	6 Å²	6	55.3 Å²	55.3	2%	0.023	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-30.6	-179.8	-62.2	-4.1	0	0	0	112.3	Y48 F116 K117 Y118 D119 D120 E124 E126 L129 L134 A137 R142	Y48-W122 HydrophobicContact CD1-CZ2 4.14Å; Y48-W122 HydrophobicContact CE1-CZ2 4.32Å; F116-W122 HydrophobicContact CB-CH2 4.41Å; F116-W122 HydrophobicContact CB-CZ2 4.48Å; K117-W122 WeakPolarHBondContact O-CH2 3.44Å; Y118-W122 AromaticContact CD2-CE3 3.72Å; Y118-W122 HydrophobicContact CD2-CE3 3.72Å; Y118-W122 AromaticContact CD2-CZ3 3.78Å; Y118-W122 HydrophobicContact CD2-CZ3 3.78Å; Y118-W122 HydrophobicContact CE2-CE3 4.1Å; Y118-W122 HydrophobicContact CG-CE3 4.5Å; Y118-W122 HydrophobicContact CG-CZ3 4.36Å; D119-W122 HydrophobicContact CB-CD2 4.39Å; D119-W122 HydrophobicContact CB-CG 4.44Å; D119-W122 HydrophobicContact CB-CZ2 4.32Å; D119-W122 WeakPolarHBondContact O-CB 3.46Å; D119-W122 VanDerWaalsContact O-CG 3.3Å; D119-W122 PolarHBondContact O-N 3.37Å; D119-W122 VanDerWaalsContact O-N 3.16Å; D120-W122 PolarHBondContact O-N 3.07Å; D120-W122 VanDerWaalsContact O-N 3.15Å; W122-E124 PolarHBondContact O-N 3.04Å; W122-E126 WeakPolarHBondContact O-CA 3.46Å; W122-E126 VanDerWaalsContact O-CB 3.26Å; W122-E126 WeakPolarHBondContact O-CB 3.32Å; W122-E126 PolarHBondContact O-N 3.37Å; W122-L129 HydrophobicContact CB-CD1 4.49Å; W122-L134 HydrophobicContact CB-CD2 4.45Å; W122-A137 HydrophobicContact CZ3-CB 4.5Å; W122-R142 HydrophobicContact CH2-CB 3.46Å; W122-R142 VanDerWaalsContact CH2-CB 3.46Å; W122-R142 HydrophobicContact CH2-CG 4.29Å; W122-R142 HydrophobicContact CZ2-CB 4.46Å; W122-R142 HydrophobicContact CZ3-CB 3.69Å; W122-R142 HydrophobicContact CZ3-CG 4.32Å
123	K	92.1	Very high	95.2	Very high	112 Å²	112	53.9 Å²	53.9	49%	0.487	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-32.2	175.4	-176.8	166.9	-176.9	153.6	0	112.7	D120 C121 E131 L134	D120-K123 PolarHBondContact O-N 2.82Å; C121-K123 PolarHBondContact O-N 3.09Å; K123-E131 IonicContact NZ-OE2 2.78Å; K123-E131 PolarHBondContact NZ-OE2 2.66Å; K123-L134 HydrophobicContact CB-CD1 3.99Å; K123-L134 HydrophobicContact CD-CD1 4.17Å; K123-L134 HydrophobicContact CG-CD1 3.98Å
124	E	91.8	Very high	95.1	Very high	164 Å²	164	52.8 Å²	52.8	77%	0.766	26%	0.263	S	S	*	.	H	α-helix	trans	-89.1	-43.5	-179.4	-62.2	179	177.2	0	0	111.1	C121 W122	C121-E124 PolarHBondContact O-N 3.41Å; W122-E124 PolarHBondContact O-N 3.04Å
125	D	90.5	Very high	95.1	Very high	75 Å²	75	56.1 Å²	56.1	40%	0.401	28%	0.281	S	S	.	.	H	α-helix	trans	-70.8	-31.2	-178.9	-66.7	-18.6	0	0	0	112.8	R46 C121 P127	R46-D125 IonicContact CZ-OD2 3.27Å; R46-D125 IonicContact NE-OD2 3.44Å; R46-D125 PolarHBondContact NE-OD2 2.77Å; R46-D125 IonicContact NH2-OD2 2.99Å; R46-D125 PolarHBondContact NH2-OD2 3.29Å; C121-D125 PolarHBondContact O-N 2.89Å; C121-D125 PolarHBondContact SG-OD2 3.33Å; D125-P127 VanDerWaalsContact C-CD 3.48Å; D125-P127 WeakPolarHBondContact O-CD 3.33Å
126	E	94	Very high	95.1	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.269	C	S	.	.			trans	-127.7	67	-170.7	-66.2	174.3	-115.8	0	0	110.7	R46 W122 H128 L129 R142 L224	R46-E126 IonicContact CZ-OE1 3.84Å; R46-E126 VanDerWaalsContact CZ-OE1 3.28Å; R46-E126 IonicContact NH1-OE1 3.47Å; R46-E126 PolarHBondContact NH1-OE1 3.09Å; R46-E126 IonicContact NH2-OE1 3.94Å; R46-E126 PolarHBondContact NH2-OE1 2.9Å; W122-E126 WeakPolarHBondContact O-CA 3.46Å; W122-E126 VanDerWaalsContact O-CB 3.26Å; W122-E126 WeakPolarHBondContact O-CB 3.32Å; W122-E126 PolarHBondContact O-N 3.37Å; E126-H128 PolarHBondContact O-N 3.23Å; E126-H128 IonicContact OE2-CE1 2.84Å; E126-L129 HydrophobicContact CB-CD1 3.71Å; E126-L129 HydrophobicContact CB-CG 3.9Å; E126-L129 WeakPolarHBondContact O-CB 3.47Å; E126-L129 PolarHBondContact O-N 3.43Å; E126-R142 IonicContact OE1-CZ 2.65Å; E126-R142 IonicContact OE1-NH1 3.21Å; E126-R142 PolarHBondContact OE1-NH1 3.39Å; E126-R142 IonicContact OE2-CZ 3.31Å; E126-R142 VanDerWaalsContact OE2-CZ 3.23Å; E126-R142 IonicContact OE2-NH1 2.62Å; E126-R142 PolarHBondContact OE2-NH1 2.78Å; E126-R142 IonicContact OE2-NH2 3.83Å; E126-R142 PolarHBondContact OE2-NH2 3.3Å; E126-L224 HydrophobicContact CG-CD2 3.41Å; E126-L224 VanDerWaalsContact CG-CD2 3.41Å; E126-L224 HydrophobicContact CG-CG 4.26Å
127	P	92.9	Very high	95.1	Very high	113 Å²	113	52.8 Å²	52.8	73%	0.734	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-6	-173	28.2	-37.2	0	0	0	114.2	D125	D125-P127 VanDerWaalsContact C-CD 3.48Å; D125-P127 WeakPolarHBondContact O-CD 3.33Å
128	H	93.3	Very high	95.1	Very high	42 Å²	42	55.5 Å²	55.5	19%	0.194	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-20.9	173	65.6	-89.7	0	0	0	112.6	E126 S130 L188	E126-H128 PolarHBondContact O-N 3.23Å; E126-H128 IonicContact OE2-CE1 2.84Å; H128-S130 PolarHBondContact O-N 3.36Å; H128-L188 HydrophobicContact CB-CD1 4.13Å
129	L	96.5	Very high	95.1	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.089	30%	0.296	C	S	.	.	S	Bend	trans	-69.3	127.5	178.1	-65.3	178.4	0	0	0	110.4	W122 E126 T133 L134	W122-L129 HydrophobicContact CB-CD1 4.49Å; E126-L129 HydrophobicContact CB-CD1 3.71Å; E126-L129 HydrophobicContact CB-CG 3.9Å; E126-L129 WeakPolarHBondContact O-CB 3.47Å; E126-L129 PolarHBondContact O-N 3.43Å; L129-T133 HydrophobicContact CD2-CG2 4.09Å; L129-L134 HydrophobicContact CB-CD2 4.09Å; L129-L134 HydrophobicContact CB-CG 4.16Å; L129-L134 HydrophobicContact CD1-CD2 3.9Å
130	S	97.4	Very high	95.3	Very high	26 Å²	26	56.5 Å²	56.5	18%	0.182	29%	0.293	C	S	.	.			trans	-74.6	156.7	176.1	70.3	0	0	0	0	111.4	H128 Y132 T133 L134 D184 H264	H128-S130 PolarHBondContact O-N 3.36Å; S130-Y132 PolarHBondContact O-N 3.01Å; S130-T133 PolarHBondContact O-N 2.65Å; S130-T133 VanDerWaalsContact O-N 3.16Å; S130-T133 PolarHBondContact OG-N 3.44Å; S130-T133 PolarHBondContact OG-OG1 3.38Å; S130-T133 VanDerWaalsContact OG-OG1 3.09Å; S130-L134 WeakPolarHBondContact O-CG 3.43Å; S130-L134 PolarHBondContact O-N 2.9Å; S130-D184 WeakPolarHBondContact CB-OD1 3.28Å; S130-D184 VanDerWaalsContact CB-OD2 3.29Å; S130-D184 WeakPolarHBondContact CB-OD2 3.14Å; S130-D184 PolarHBondContact N-OD2 3.2Å; S130-D184 PolarHBondContact OG-OD1 2.91Å; S130-D184 PolarHBondContact OG-OD2 2.68Å; S130-H264 PolarHBondContact OG-CE1 2.52Å; S130-H264 VanDerWaalsContact OG-CE1 3.3Å
131	E	97.2	Very high	95.5	Very high	88 Å²	88	51 Å²	51	41%	0.411	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-29.5	174.3	-168.6	65.1	-144.6	0	0	111.6	K123 N135	K123-E131 IonicContact NZ-OE2 2.78Å; K123-E131 PolarHBondContact NZ-OE2 2.66Å; E131-N135 WeakPolarHBondContact O-CB 3.39Å; E131-N135 PolarHBondContact O-N 3.47Å; E131-N135 PolarHBondContact O-ND2 2.94Å
132	Y	98.2	Very high	95.7	Very high	56 Å²	56	49.2 Å²	49.2	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-55.8	172.7	-177.9	-90.2	0	0	0	110.8	S130 L134 N135 V136 H176 A180 F261 H264	S130-Y132 PolarHBondContact O-N 3.01Å; Y132-L134 PolarHBondContact O-N 2.91Å; Y132-N135 WeakPolarHBondContact O-CB 3.47Å; Y132-N135 PolarHBondContact O-N 3.03Å; Y132-N135 VanDerWaalsContact O-N 3.09Å; Y132-V136 HydrophobicContact CD1-CG2 4.21Å; Y132-V136 HydrophobicContact CE1-CG2 3.85Å; Y132-V136 WeakPolarHBondContact O-CG2 3.41Å; Y132-V136 PolarHBondContact O-N 3.25Å; Y132-H176 AromaticContact CE1-NE2 3.61Å; Y132-H176 AromaticContact CZ-NE2 3.55Å; Y132-H176 PolarHBondContact OH-CE1 2.92Å; Y132-H176 PolarHBondContact OH-NE2 3.18Å; Y132-A180 HydrophobicContact CD1-CB 4.23Å; Y132-A180 HydrophobicContact CE1-CB 4.14Å; Y132-F261 HydrophobicContact CE1-CD2 4.39Å; Y132-F261 WeakPolarHBondContact OH-CA 3.48Å; Y132-F261 VanDerWaalsContact OH-CB 3.26Å; Y132-F261 WeakPolarHBondContact OH-CB 3.41Å; Y132-F261 PolarHBondContact OH-N 3.36Å; Y132-H264 HydrophobicContact CD1-CB 4.11Å; Y132-H264 AromaticContact CD1-CD2 3.22Å; Y132-H264 WeakPolarHBondContact CD1-CD2 3.41Å; Y132-H264 AromaticContact CD1-CE1 3.76Å; Y132-H264 AromaticContact CD1-CG 3.42Å; Y132-H264 VanDerWaalsContact CD1-CG 3.42Å; Y132-H264 AromaticContact CD1-ND1 3.75Å; Y132-H264 AromaticContact CD1-NE2 3.46Å; Y132-H264 WeakPolarHBondContact CD1-NE2 3.46Å; Y132-H264 HydrophobicContact CD2-CB 4.07Å; Y132-H264 HydrophobicContact CE1-CB 4.08Å; Y132-H264 AromaticContact CE1-CD2 3.51Å; Y132-H264 AromaticContact CE1-CG 3.78Å; Y132-H264 HydrophobicContact CE2-CB 4.06Å; Y132-H264 HydrophobicContact CG-CB 4.1Å; Y132-H264 AromaticContact CG-CD2 3.85Å; Y132-H264 AromaticContact CG-CE1 3.83Å; Y132-H264 AromaticContact CG-CG 3.55Å; Y132-H264 AromaticContact CG-ND1 3.55Å
133	T	97.9	Very high	95.9	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-43.5	-179.6	-57.8	0	0	0	0	112	L129 S130 N135 V136 A137 A180 E181 D184	L129-T133 HydrophobicContact CD2-CG2 4.09Å; S130-T133 PolarHBondContact O-N 2.65Å; S130-T133 VanDerWaalsContact O-N 3.16Å; S130-T133 PolarHBondContact OG-N 3.44Å; S130-T133 PolarHBondContact OG-OG1 3.38Å; S130-T133 VanDerWaalsContact OG-OG1 3.09Å; T133-N135 VanDerWaalsContact C-N 3.29Å; T133-N135 PolarHBondContact O-N 2.99Å; T133-V136 PolarHBondContact O-N 2.8Å; T133-A137 WeakPolarHBondContact O-CB 3.42Å; T133-A137 PolarHBondContact O-N 2.7Å; T133-A180 HydrophobicContact CG2-CB 4.1Å; T133-A180 PolarHBondContact OG1-O 3.08Å; T133-E181 HydrophobicContact CG2-CB 4.41Å; T133-E181 HydrophobicContact CG2-CG 3.64Å; T133-D184 WeakPolarHBondContact CB-OD2 3.46Å; T133-D184 PolarHBondContact OG1-OD2 3.13Å
134	L	97.7	Very high	96.2	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-38.7	175.7	-67.4	172.4	0	0	0	112	Y118 W122 K123 L129 S130 Y132 R138	Y118-L134 HydrophobicContact CE2-CB 4.33Å; Y118-L134 HydrophobicContact CE2-CD2 3.9Å; W122-L134 HydrophobicContact CB-CD2 4.45Å; K123-L134 HydrophobicContact CB-CD1 3.99Å; K123-L134 HydrophobicContact CD-CD1 4.17Å; K123-L134 HydrophobicContact CG-CD1 3.98Å; L129-L134 HydrophobicContact CB-CD2 4.09Å; L129-L134 HydrophobicContact CB-CG 4.16Å; L129-L134 HydrophobicContact CD1-CD2 3.9Å; S130-L134 WeakPolarHBondContact O-CG 3.43Å; S130-L134 PolarHBondContact O-N 2.9Å; Y132-L134 PolarHBondContact O-N 2.91Å; L134-R138 WeakPolarHBondContact O-CB 3.48Å; L134-R138 PolarHBondContact O-N 3.5Å
135	N	97.6	Very high	96.5	Very high	76 Å²	76	36.3 Å²	36.3	41%	0.406	19%	0.193	S	C	.	.	H	α-helix	trans	-67	-43.3	177.5	-74	-33.2	0	0	0	112.5	E131 Y132 T133 R138 G139	E131-N135 WeakPolarHBondContact O-CB 3.39Å; E131-N135 PolarHBondContact O-N 3.47Å; E131-N135 PolarHBondContact O-ND2 2.94Å; Y132-N135 WeakPolarHBondContact O-CB 3.47Å; Y132-N135 PolarHBondContact O-N 3.03Å; Y132-N135 VanDerWaalsContact O-N 3.09Å; T133-N135 VanDerWaalsContact C-N 3.29Å; T133-N135 PolarHBondContact O-N 2.99Å; N135-R138 PolarHBondContact O-N 2.82Å; N135-R138 PolarHBondContact OD1-NH1 2.79Å; N135-G139 PolarHBondContact O-N 3.02Å
136	V	97.7	Very high	96.9	Very high	15 Å²	15	33.3 Å²	33.3	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-47.1	176.3	-175.7	0	0	0	0	110	Y132 T133 R138 G139 F140 H176 V177	Y132-V136 HydrophobicContact CD1-CG2 4.21Å; Y132-V136 HydrophobicContact CE1-CG2 3.85Å; Y132-V136 WeakPolarHBondContact O-CG2 3.41Å; Y132-V136 PolarHBondContact O-N 3.25Å; T133-V136 PolarHBondContact O-N 2.8Å; V136-R138 VanDerWaalsContact C-N 3.29Å; V136-R138 PolarHBondContact O-N 3.23Å; V136-G139 PolarHBondContact O-N 2.88Å; V136-F140 HydrophobicContact CG1-CD2 4.26Å; V136-F140 PolarHBondContact O-N 2.8Å; V136-F140 VanDerWaalsContact O-N 3.11Å; V136-H176 HydrophobicContact CG1-CB 4.31Å; V136-V177 HydrophobicContact CG1-CB 4.5Å; V136-V177 HydrophobicContact CG1-CG2 3.67Å
137	A	97	Very high	97.2	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.033	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-33.2	177.9	0	0	0	0	0	112.7	Y118 W122 T133 G139 F140 G141 V177	Y118-A137 HydrophobicContact CD2-CB 3.98Å; W122-A137 HydrophobicContact CZ3-CB 4.5Å; T133-A137 WeakPolarHBondContact O-CB 3.42Å; T133-A137 PolarHBondContact O-N 2.7Å; A137-G139 VanDerWaalsContact C-N 3.27Å; A137-G139 PolarHBondContact O-N 2.91Å; A137-F140 PolarHBondContact O-N 3.29Å; A137-G141 WeakPolarHBondContact O-CA 3.36Å; A137-G141 PolarHBondContact O-N 3.04Å; A137-V177 HydrophobicContact CB-CG1 4.39Å
138	R	96.9	Very high	97.4	Very high	109 Å²	109	28.4 Å²	28.4	41%	0.411	14%	0.144	S	C	.	.	H	α-helix	trans	-62.8	-35.3	174.1	-166.8	-179.6	-59.5	112.3	3.6	112.3	Y118 L134 N135 V136	Y118-R138 HydrophobicContact CD1-CB 4.14Å; Y118-R138 HydrophobicContact CD1-CG 3.91Å; Y118-R138 HydrophobicContact CD2-CB 4.23Å; Y118-R138 HydrophobicContact CE1-CB 4.41Å; Y118-R138 HydrophobicContact CE1-CG 4.23Å; Y118-R138 HydrophobicContact CE2-CB 4.48Å; Y118-R138 HydrophobicContact CG-CB 4.06Å; Y118-R138 HydrophobicContact CG-CG 4.26Å; Y118-R138 PolarHBondContact OH-NH2 2.79Å; L134-R138 WeakPolarHBondContact O-CB 3.48Å; L134-R138 PolarHBondContact O-N 3.5Å; N135-R138 PolarHBondContact O-N 2.82Å; N135-R138 PolarHBondContact OD1-NH1 2.79Å; V136-R138 VanDerWaalsContact C-N 3.29Å; V136-R138 PolarHBondContact O-N 3.23Å
139	G	96.7	Very high	97.6	Very high	43 Å²	43	30.9 Å²	30.9	44%	0.443	15%	0.152	S	C	.	.	H	α-helix	trans	-75.9	-38.9	178.5	0	0	0	0	0	113.7	W51 N135 V136 A137	W51-G139 WeakPolarHBondContact CH2-O 3.32Å; N135-G139 PolarHBondContact O-N 3.02Å; V136-G139 PolarHBondContact O-N 2.88Å; A137-G139 VanDerWaalsContact C-N 3.27Å; A137-G139 PolarHBondContact O-N 2.91Å
140	F	97.6	Very high	97.7	Very high	79 Å²	79	34.8 Å²	34.8	35%	0.346	17%	0.17	S	C	.	.	H	α-helix	trans	-126.2	0.9	-166	-57.9	-69.5	0	0	0	115.2	W51 W115 V136 A137 Q173 V177	W51-F140 VanDerWaalsContact CH2-C 3.4Å; W115-F140 PolarHBondContact NE1-O 2.89Å; V136-F140 HydrophobicContact CG1-CD2 4.26Å; V136-F140 PolarHBondContact O-N 2.8Å; V136-F140 VanDerWaalsContact O-N 3.11Å; A137-F140 PolarHBondContact O-N 3.29Å; F140-Q173 HydrophobicContact CB-CB 4.3Å; F140-Q173 HydrophobicContact CD1-CB 3.53Å; F140-Q173 HydrophobicContact CD1-CG 4Å; F140-Q173 HydrophobicContact CD2-CB 3.8Å; F140-Q173 HydrophobicContact CD2-CG 4.35Å; F140-Q173 HydrophobicContact CE1-CB 3.68Å; F140-Q173 HydrophobicContact CE1-CG 3.57Å; F140-Q173 HydrophobicContact CE2-CB 3.93Å; F140-Q173 HydrophobicContact CE2-CG 3.95Å; F140-Q173 HydrophobicContact CG-CB 3.59Å; F140-Q173 HydrophobicContact CG-CG 4.37Å; F140-Q173 HydrophobicContact CZ-CB 3.87Å; F140-Q173 HydrophobicContact CZ-CG 3.54Å; F140-V177 HydrophobicContact CB-CG2 3.97Å
141	G	97.4	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.			trans	76.5	-175	-177.9	0	0	0	0	0	112.6	W51 F116 A137 V177	W51-G141 VanDerWaalsContact CE3-CA 3.49Å; F116-G141 CarbonylContact O-C 3.58Å; F116-G141 WeakPolarHBondContact O-CA 3.48Å; A137-G141 WeakPolarHBondContact O-CA 3.36Å; A137-G141 PolarHBondContact O-N 3.04Å; G141-V177 WeakPolarHBondContact O-CG1 3.33Å; G141-V177 WeakPolarHBondContact O-CG2 3.38Å
142	R	96.1	Very high	97.6	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131	179.1	-165.7	178.9	-153.8	171.2	7.2	110.4	W115 F116 W122 E126 E181 W223	W115-R142 CarbonylContact C-O 3.45Å; W115-R142 VanDerWaalsContact CA-O 3.31Å; W115-R142 WeakPolarHBondContact CA-O 3.47Å; F116-R142 HydrophobicContact CB-CB 4.46Å; F116-R142 PolarHBondContact N-O 2.95Å; F116-R142 PolarHBondContact O-N 3.43Å; W122-R142 HydrophobicContact CH2-CB 3.46Å; W122-R142 VanDerWaalsContact CH2-CB 3.46Å; W122-R142 HydrophobicContact CH2-CG 4.29Å; W122-R142 HydrophobicContact CZ2-CB 4.46Å; W122-R142 HydrophobicContact CZ3-CB 3.69Å; W122-R142 HydrophobicContact CZ3-CG 4.32Å; E126-R142 IonicContact OE1-CZ 2.65Å; E126-R142 IonicContact OE1-NH1 3.21Å; E126-R142 PolarHBondContact OE1-NH1 3.39Å; E126-R142 IonicContact OE2-CZ 3.31Å; E126-R142 VanDerWaalsContact OE2-CZ 3.23Å; E126-R142 IonicContact OE2-NH1 2.62Å; E126-R142 PolarHBondContact OE2-NH1 2.78Å; E126-R142 IonicContact OE2-NH2 3.83Å; E126-R142 PolarHBondContact OE2-NH2 3.3Å; R142-E181 IonicContact CZ-OE1 3.28Å; R142-E181 IonicContact NE-OE1 3.55Å; R142-E181 PolarHBondContact NE-OE1 3.5Å; R142-E181 IonicContact NE-OE2 3.95Å; R142-E181 IonicContact NH2-OE1 2.99Å; R142-E181 PolarHBondContact NH2-OE1 3.3Å; R142-W223 VanDerWaalsContact CD-CE2 3.41Å; R142-W223 HydrophobicContact CG-CH2 4.36Å; R142-W223 HydrophobicContact CG-CZ2 3.63Å; R142-W223 VanDerWaalsContact CZ-CB 3.42Å; R142-W223 VanDerWaalsContact NE-CD2 3.3Å; R142-W223 VanDerWaalsContact NE-CG 3.34Å
143	F	98.1	Very high	97.6	Very high	10 Å²	10	38.5 Å²	38.5	4%	0.044	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.2	-168.4	-178.1	-96.6	0	0	0	112.1	T113 W115 Y145 N155 L167 L174	T113-F143 HydrophobicContact CG2-CD2 4.28Å; T113-F143 HydrophobicContact CG2-CE2 3.4Å; T113-F143 VanDerWaalsContact CG2-CE2 3.4Å; T113-F143 HydrophobicContact CG2-CZ 3.75Å; W115-F143 HydrophobicContact CB-CD2 4.18Å; W115-F143 HydrophobicContact CG-CD2 4.21Å; F143-Y145 HydrophobicContact CD1-CD1 4.19Å; F143-Y145 AromaticContact CE1-CD1 3.36Å; F143-Y145 HydrophobicContact CE1-CD1 3.36Å; F143-Y145 AromaticContact CE1-CE1 3.7Å; F143-Y145 HydrophobicContact CE1-CE1 3.7Å; F143-Y145 HydrophobicContact CE1-CG 4.3Å; F143-Y145 AromaticContact CZ-CD1 3.99Å; F143-Y145 HydrophobicContact CZ-CD1 3.99Å; F143-N155 PolarHBondContact O-ND2 3.36Å; F143-N155 VanDerWaalsContact O-ND2 3.16Å; F143-L167 HydrophobicContact CE1-CD1 3.84Å; F143-L167 HydrophobicContact CE1-CD2 4.01Å; F143-L167 HydrophobicContact CZ-CD2 4.12Å; F143-L174 HydrophobicContact CB-CB 4.47Å; F143-L174 HydrophobicContact CB-CD2 4.29Å; F143-L174 HydrophobicContact CD1-CB 4.45Å; F143-L174 HydrophobicContact CD2-CD1 3.87Å; F143-L174 HydrophobicContact CD2-CD2 4.46Å; F143-L174 HydrophobicContact CE2-CD1 4.01Å; F143-L174 HydrophobicContact CG-CB 4.27Å; F143-L174 HydrophobicContact CG-CD1 4.34Å
144	A	98.3	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154.3	170.4	0	0	0	0	0	113	T113 V114 Y154 N155 I215 W223	T113-A144 CarbonylContact C-O 3.59Å; T113-A144 WeakPolarHBondContact CA-O 3.44Å; V114-A144 HydrophobicContact CG2-CB 3.72Å; V114-A144 PolarHBondContact N-O 2.92Å; V114-A144 PolarHBondContact O-N 3.01Å; A144-Y154 HydrophobicContact CB-CD1 3.73Å; A144-Y154 HydrophobicContact CB-CE1 4.42Å; A144-Y154 HydrophobicContact CB-CG 4.1Å; A144-N155 WeakPolarHBondContact CA-OD1 3.22Å; A144-I215 HydrophobicContact CB-CD1 3.65Å; A144-W223 HydrophobicContact CB-CZ2 3.85Å
145	Y	98.5	Very high	97.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.178	C	C	.	.			trans	-148	149.5	175.9	62	-66.5	0	0	0	109.8	F107 L108 F143 Y154 N155 H160 L167 L178 M496 L499	F107-Y145 HydrophobicContact CD1-CD2 4.34Å; F107-Y145 HydrophobicContact CE1-CD2 4.08Å; L108-Y145 HydrophobicContact CD2-CE2 4.28Å; F143-Y145 HydrophobicContact CD1-CD1 4.19Å; F143-Y145 AromaticContact CE1-CD1 3.36Å; F143-Y145 HydrophobicContact CE1-CD1 3.36Å; F143-Y145 AromaticContact CE1-CE1 3.7Å; F143-Y145 HydrophobicContact CE1-CE1 3.7Å; F143-Y145 HydrophobicContact CE1-CG 4.3Å; F143-Y145 AromaticContact CZ-CD1 3.99Å; F143-Y145 HydrophobicContact CZ-CD1 3.99Å; Y145-Y154 WeakPolarHBondContact O-CA 3.3Å; Y145-N155 VanDerWaalsContact CD1-OD1 3.32Å; Y145-N155 WeakPolarHBondContact CD1-OD1 3.47Å; Y145-N155 PolarHBondContact N-OD1 2.9Å; Y145-N155 PolarHBondContact O-N 3.47Å; Y145-N155 PolarHBondContact O-OD1 3Å; Y145-H160 AromaticContact CE1-ND1 3.72Å; Y145-H160 AromaticContact CZ-ND1 3.55Å; Y145-H160 PolarHBondContact OH-CE1 2.98Å; Y145-H160 PolarHBondContact OH-ND1 3.01Å; Y145-L167 HydrophobicContact CE1-CD1 3.58Å; Y145-L167 WeakPolarHBondContact OH-CD1 3.21Å; Y145-L178 HydrophobicContact CE1-CD1 4.35Å; Y145-M496 HydrophobicContact CD1-CE 4.42Å; Y145-M496 HydrophobicContact CD2-CE 3.55Å; Y145-M496 HydrophobicContact CD2-CG 4.33Å; Y145-M496 HydrophobicContact CD2-SD 4.49Å; Y145-M496 HydrophobicContact CE1-CE 4.27Å; Y145-M496 HydrophobicContact CE2-CB 4.44Å; Y145-M496 HydrophobicContact CE2-CE 3.42Å; Y145-M496 VanDerWaalsContact CE2-CE 3.42Å; Y145-M496 HydrophobicContact CE2-CG 3.58Å; Y145-M496 HydrophobicContact CE2-SD 3.8Å; Y145-M496 HydrophobicContact CG-CE 4.08Å; Y145-L499 HydrophobicContact CE2-CD1 4.07Å
146	L	98.7	Very high	97.8	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.068	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-71.9	149	-174.3	-60.3	174.1	0	0	0	110.7	F107 G111 S148 R152 M153 Y154 P218 M496	F107-L146 WeakPolarHBondContact CE1-O 3.43Å; F107-L146 VanDerWaalsContact CZ-O 3.25Å; F107-L146 WeakPolarHBondContact CZ-O 3.29Å; G111-L146 VanDerWaalsContact O-CB 3.25Å; G111-L146 WeakPolarHBondContact O-CB 3.31Å; G111-L146 WeakPolarHBondContact O-CG 3.11Å; G111-L146 PolarHBondContact O-N 3.1Å; L146-S148 VanDerWaalsContact C-N 3.32Å; L146-R152 HydrophobicContact CD2-CB 4.36Å; L146-M153 CarbonylContact C-O 3.56Å; L146-M153 VanDerWaalsContact CA-O 3.26Å; L146-M153 WeakPolarHBondContact CA-O 3.46Å; L146-Y154 HydrophobicContact CD2-CD1 3.63Å; L146-Y154 HydrophobicContact CD2-CD2 4.13Å; L146-Y154 HydrophobicContact CD2-CE1 3.49Å; L146-Y154 VanDerWaalsContact CD2-CE1 3.49Å; L146-Y154 HydrophobicContact CD2-CE2 4.03Å; L146-Y154 HydrophobicContact CD2-CG 3.94Å; L146-Y154 HydrophobicContact CG-CD1 4.18Å; L146-Y154 HydrophobicContact CG-CE1 3.84Å; L146-P218 HydrophobicContact CD2-CG 3.97Å; L146-M496 WeakPolarHBondContact O-CE 3.49Å
147	E	98.8	Very high	97.8	Very high	11 Å²	11	34.5 Å²	34.5	5%	0.051	15%	0.154	C	C	.	.	S	Bend	trans	-57.6	-47.1	166.1	-177	-175.8	147.2	0	0	111.3	Y151 M153 T156 V159 Y495 M496	E147-Y151 VanDerWaalsContact OE1-CD2 3.25Å; E147-Y151 WeakPolarHBondContact OE1-CD2 3.49Å; E147-M153 PolarHBondContact N-O 3.48Å; E147-M153 WeakPolarHBondContact OE2-CE 3.35Å; E147-T156 WeakPolarHBondContact CB-OG1 3.21Å; E147-T156 HydrophobicContact CG-CG2 4.36Å; E147-T156 VanDerWaalsContact OE2-CB 3.22Å; E147-T156 WeakPolarHBondContact OE2-CB 3.44Å; E147-T156 VanDerWaalsContact OE2-CG2 3.24Å; E147-T156 WeakPolarHBondContact OE2-CG2 3.37Å; E147-T156 PolarHBondContact OE2-OG1 2.97Å; E147-V159 HydrophobicContact CG-CG1 4.43Å; E147-V159 HydrophobicContact CG-CG2 4.02Å; E147-Y495 HydrophobicContact CG-CE1 4.25Å; E147-Y495 HydrophobicContact CG-CE2 3.97Å; E147-Y495 CarbonylContact O-C 3.42Å; E147-Y495 WeakPolarHBondContact O-CA 3.46Å; E147-Y495 PolarHBondContact OE1-OH 3.38Å; E147-M496 WeakPolarHBondContact O-CB 3.22Å; E147-M496 PolarHBondContact O-N 2.98Å
148	S	98.5	Very high	97.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-158.4	178.4	167.5	65.3	0	0	0	0	114.5	L146 E150 Y151 G494	L146-S148 VanDerWaalsContact C-N 3.32Å; S148-E150 PolarHBondContact O-N 3.39Å; S148-E150 PolarHBondContact OG-N 3.35Å; S148-Y151 PolarHBondContact N-O 3.08Å; S148-Y151 VanDerWaalsContact N-O 3.13Å; S148-Y151 CarbonylContact O-C 3.55Å; S148-Y151 VanDerWaalsContact O-O 3.13Å; S148-Y151 WeakPolarHBondContact OG-CB 3.41Å; S148-Y151 PolarHBondContact OG-N 3.32Å; S148-G494 WeakPolarHBondContact CA-O 3.37Å; S148-G494 WeakPolarHBondContact CB-O 3.44Å
149	W	97.8	Very high	98	Very high	94 Å²	94	29.3 Å²	29.3	36%	0.356	14%	0.135	S	C	.	.	S	Bend	trans	-67.6	-23.1	171.6	-58.3	-21.5	0	0	0	113.2	Y106 D110 Y478 Q479 I493 G494	Y106-W149 HydrophobicContact CE2-CH2 4.42Å; Y106-W149 HydrophobicContact CE2-CZ2 4.13Å; D110-W149 HydrophobicContact CB-CZ2 4.18Å; D110-W149 PolarHBondContact O-NE1 3.12Å; W149-Y478 WeakPolarHBondContact CH2-O 3.27Å; W149-Q479 HydrophobicContact CH2-CB 3.83Å; W149-Q479 HydrophobicContact CZ3-CB 3.59Å; W149-I493 HydrophobicContact CE3-CD1 4.03Å; W149-I493 HydrophobicContact CE3-CG1 4.05Å; W149-I493 HydrophobicContact CZ3-CD1 4.32Å; W149-G494 PolarHBondContact N-O 3.41Å
150	E	97.2	Very high	98.1	Very high	98 Å²	98	27.3 Å²	27.3	46%	0.458	11%	0.114	S	C	.	.	S	Bend	trans	-95.8	-43.6	179.8	-61.3	-175.5	167.4	0	0	111.4	S148 R152 A492 I493	S148-E150 PolarHBondContact O-N 3.39Å; S148-E150 PolarHBondContact OG-N 3.35Å; E150-R152 PolarHBondContact O-N 3.15Å; E150-A492 WeakPolarHBondContact OE2-CA 3.06Å; E150-A492 PolarHBondContact OE2-N 3.09Å; E150-A492 VanDerWaalsContact OE2-N 3.13Å; E150-I493 HydrophobicContact CG-CG1 4.46Å
151	Y	97.2	Very high	98.2	Very high	69 Å²	69	23.5 Å²	23.5	27%	0.271	10%	0.097	S	C	.	.	S	Bend	trans	-97.1	84.7	177.1	-50.1	-25.4	0	0	0	108.5	E147 S148 M153 R491 A492 Y495	E147-Y151 VanDerWaalsContact OE1-CD2 3.25Å; E147-Y151 WeakPolarHBondContact OE1-CD2 3.49Å; S148-Y151 PolarHBondContact N-O 3.08Å; S148-Y151 VanDerWaalsContact N-O 3.13Å; S148-Y151 CarbonylContact O-C 3.55Å; S148-Y151 VanDerWaalsContact O-O 3.13Å; S148-Y151 WeakPolarHBondContact OG-CB 3.41Å; S148-Y151 PolarHBondContact OG-N 3.32Å; Y151-M153 HydrophobicContact CG-CE 4.49Å; Y151-M153 PolarHBondContact O-N 2.91Å; Y151-R491 WeakPolarHBondContact OH-CD 3.45Å; Y151-R491 WeakPolarHBondContact OH-CG 3.3Å; Y151-R491 PolarHBondContact OH-NH1 2.88Å; Y151-A492 HydrophobicContact CD2-CB 3.88Å; Y151-A492 HydrophobicContact CE1-CB 4.4Å; Y151-A492 HydrophobicContact CE2-CB 3.3Å; Y151-Y495 AromaticContact CD2-CE2 3.57Å; Y151-Y495 HydrophobicContact CD2-CE2 3.57Å; Y151-Y495 AromaticContact CE2-CE2 3.83Å; Y151-Y495 HydrophobicContact CE2-CE2 3.83Å
152	R	96.9	Very high	98.2	Very high	157 Å²	157	23.5 Å²	23.5	59%	0.592	10%	0.097	S	C	*	.			trans	-78.4	54.4	-170.4	-60.2	-177.1	-64.6	171.6	0.9	112.3	L146 E150 C217 P218	L146-R152 HydrophobicContact CD2-CB 4.36Å; E150-R152 PolarHBondContact O-N 3.15Å; R152-C217 WeakPolarHBondContact O-CA 3.24Å; R152-C217 WeakPolarHBondContact O-CB 3.23Å; R152-P218 HydrophobicContact CB-CG 4.5Å; R152-P218 WeakPolarHBondContact O-CD 3.23Å
153	M	98.1	Very high	98.3	Very high	23 Å²	23	23.4 Å²	23.4	11%	0.113	10%	0.097	C	C	.	.			trans	-109.7	131.9	179.1	-63.1	174.1	-75	0	0	108.7	L146 E147 Y151 T156 D214 G216 A228 Y229	L146-M153 CarbonylContact C-O 3.56Å; L146-M153 VanDerWaalsContact CA-O 3.26Å; L146-M153 WeakPolarHBondContact CA-O 3.46Å; E147-M153 PolarHBondContact N-O 3.48Å; E147-M153 WeakPolarHBondContact OE2-CE 3.35Å; Y151-M153 HydrophobicContact CG-CE 4.49Å; Y151-M153 PolarHBondContact O-N 2.91Å; M153-T156 WeakPolarHBondContact CB-OG1 3.2Å; M153-D214 HydrophobicContact CB-CB 3.88Å; M153-G216 CarbonylContact C-O 3.57Å; M153-G216 WeakPolarHBondContact CA-O 3.28Å; M153-A228 HydrophobicContact CG-CB 3.97Å; M153-Y229 HydrophobicContact CE-CD2 4.05Å; M153-Y229 VanDerWaalsContact SD-CB 3.57Å; M153-Y229 HydrophobicContact SD-CD2 3.85Å; M153-Y229 HydrophobicContact SD-CG 4.22Å
154	Y	98.5	Very high	98.4	Very high	11 Å²	11	23 Å²	23	4%	0.043	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-84.6	136.2	-177.5	-81.6	-63.6	0	0	0	111.2	F41 G112 V114 A144 Y145 L146 T156 D214 I215 G216 P218 P222	F41-Y154 AromaticContact CE1-CE2 3.91Å; F41-Y154 HydrophobicContact CE1-CE2 3.91Å; F41-Y154 HydrophobicContact CZ-CE2 4.43Å; G112-Y154 WeakPolarHBondContact O-CE1 3.48Å; G112-Y154 PolarHBondContact O-OH 3.42Å; V114-Y154 HydrophobicContact CG2-CE1 3.98Å; A144-Y154 HydrophobicContact CB-CD1 3.73Å; A144-Y154 HydrophobicContact CB-CE1 4.42Å; A144-Y154 HydrophobicContact CB-CG 4.1Å; Y145-Y154 WeakPolarHBondContact O-CA 3.3Å; L146-Y154 HydrophobicContact CD2-CD1 3.63Å; L146-Y154 HydrophobicContact CD2-CD2 4.13Å; L146-Y154 HydrophobicContact CD2-CE1 3.49Å; L146-Y154 VanDerWaalsContact CD2-CE1 3.49Å; L146-Y154 HydrophobicContact CD2-CE2 4.03Å; L146-Y154 HydrophobicContact CD2-CG 3.94Å; L146-Y154 HydrophobicContact CG-CD1 4.18Å; L146-Y154 HydrophobicContact CG-CE1 3.84Å; Y154-T156 PolarHBondContact O-N 2.9Å; Y154-D214 WeakPolarHBondContact O-CB 3.28Å; Y154-I215 VanDerWaalsContact CB-CG1 3.44Å; Y154-I215 VanDerWaalsContact O-CG1 3.31Å; Y154-I215 WeakPolarHBondContact O-CG1 3.41Å; Y154-I215 PolarHBondContact O-N 2.91Å; Y154-G216 PolarHBondContact N-O 2.87Å; Y154-P218 HydrophobicContact CE2-CB 4.43Å; Y154-P218 HydrophobicContact CE2-CG 3.66Å; Y154-P222 HydrophobicContact CD2-CB 4.03Å; Y154-P222 HydrophobicContact CD2-CG 3.85Å; Y154-P222 HydrophobicContact CE2-CG 3.91Å
155	N	98.5	Very high	98.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	44	177.4	-59.5	-14.8	0	0	0	112.8	F143 A144 Y145 Y157 L178 F182 I215	F143-N155 PolarHBondContact O-ND2 3.36Å; F143-N155 VanDerWaalsContact O-ND2 3.16Å; A144-N155 WeakPolarHBondContact CA-OD1 3.22Å; Y145-N155 VanDerWaalsContact CD1-OD1 3.32Å; Y145-N155 WeakPolarHBondContact CD1-OD1 3.47Å; Y145-N155 PolarHBondContact N-OD1 2.9Å; Y145-N155 PolarHBondContact O-N 3.47Å; Y145-N155 PolarHBondContact O-OD1 3Å; N155-Y157 WeakPolarHBondContact O-CA 3.49Å; N155-Y157 PolarHBondContact O-N 3.25Å; N155-L178 HydrophobicContact CB-CD1 4.11Å; N155-L178 VanDerWaalsContact CG-CD1 3.49Å; N155-L178 VanDerWaalsContact ND2-CD1 3.34Å; N155-L178 WeakPolarHBondContact ND2-CD1 3.25Å; N155-F182 HydrophobicContact CB-CE2 3.76Å; N155-F182 HydrophobicContact CB-CZ 4.01Å; N155-F182 VanDerWaalsContact O-CZ 3.24Å; N155-F182 WeakPolarHBondContact O-CZ 3.36Å; N155-I215 HydrophobicContact CB-CD1 4.44Å; N155-I215 HydrophobicContact CB-CG1 4.19Å
156	T	98.8	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.095	C	C	.	.			trans	-52.6	110.7	175.6	-64.6	0	0	0	0	109.9	E147 M153 Y154 D158 V159 H160 H213	E147-T156 WeakPolarHBondContact CB-OG1 3.21Å; E147-T156 HydrophobicContact CG-CG2 4.36Å; E147-T156 VanDerWaalsContact OE2-CB 3.22Å; E147-T156 WeakPolarHBondContact OE2-CB 3.44Å; E147-T156 VanDerWaalsContact OE2-CG2 3.24Å; E147-T156 WeakPolarHBondContact OE2-CG2 3.37Å; E147-T156 PolarHBondContact OE2-OG1 2.97Å; M153-T156 WeakPolarHBondContact CB-OG1 3.2Å; Y154-T156 PolarHBondContact O-N 2.9Å; T156-D158 WeakPolarHBondContact CG2-OD1 3.19Å; T156-V159 HydrophobicContact CG2-CB 4.09Å; T156-V159 HydrophobicContact CG2-CG2 3.56Å; T156-V159 WeakPolarHBondContact O-CB 3.35Å; T156-V159 PolarHBondContact O-N 2.97Å; T156-H160 VanDerWaalsContact O-CB 3.24Å; T156-H160 WeakPolarHBondContact O-CB 3.44Å; T156-H160 PolarHBondContact O-N 3.19Å; T156-H213 CarbonylContact C-O 3.59Å; T156-H213 VanDerWaalsContact CA-O 3.24Å; T156-H213 WeakPolarHBondContact CA-O 3.2Å; T156-H213 WeakPolarHBondContact CG2-CE1 3.48Å; T156-H213 WeakPolarHBondContact CG2-NE2 3.45Å
157	Y	98.8	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-75.8	-37.4	-154.9	-166.3	-94.4	0	0	0	112.4	N155 V159 H160 F161 L178 Q179 F182 I211 H213 K243 F244	N155-Y157 WeakPolarHBondContact O-CA 3.49Å; N155-Y157 PolarHBondContact O-N 3.25Å; Y157-V159 PolarHBondContact O-N 3.31Å; Y157-H160 PolarHBondContact O-N 3.15Å; Y157-F161 PolarHBondContact O-N 3.5Å; Y157-L178 HydrophobicContact CE2-CD2 4.39Å; Y157-Q179 PolarHBondContact OH-NE2 2.59Å; Y157-Q179 PolarHBondContact OH-OE1 3.05Å; Y157-F182 HydrophobicContact CD2-CB 4.28Å; Y157-F182 AromaticContact CD2-CD1 3.3Å; Y157-F182 HydrophobicContact CD2-CD1 3.3Å; Y157-F182 AromaticContact CD2-CD2 3.68Å; Y157-F182 HydrophobicContact CD2-CD2 3.68Å; Y157-F182 AromaticContact CD2-CE1 3.32Å; Y157-F182 HydrophobicContact CD2-CE1 3.32Å; Y157-F182 AromaticContact CD2-CE2 3.71Å; Y157-F182 HydrophobicContact CD2-CE2 3.71Å; Y157-F182 AromaticContact CD2-CG 3.46Å; Y157-F182 HydrophobicContact CD2-CG 3.46Å; Y157-F182 VanDerWaalsContact CD2-CG 3.46Å; Y157-F182 AromaticContact CD2-CZ 3.52Å; Y157-F182 HydrophobicContact CD2-CZ 3.52Å; Y157-F182 HydrophobicContact CE2-CB 3.87Å; Y157-F182 AromaticContact CE2-CD1 3.76Å; Y157-F182 HydrophobicContact CE2-CD1 3.76Å; Y157-F182 AromaticContact CE2-CD2 3.85Å; Y157-F182 HydrophobicContact CE2-CD2 3.85Å; Y157-F182 HydrophobicContact CE2-CE1 4.23Å; Y157-F182 HydrophobicContact CE2-CE2 4.32Å; Y157-F182 AromaticContact CE2-CG 3.53Å; Y157-F182 HydrophobicContact CE2-CG 3.53Å; Y157-F182 HydrophobicContact CE2-CZ 4.49Å; Y157-F182 AromaticContact CG-CD1 3.89Å; Y157-F182 HydrophobicContact CG-CD1 3.89Å; Y157-F182 AromaticContact CG-CE1 3.7Å; Y157-F182 HydrophobicContact CG-CE1 3.7Å; Y157-F182 HydrophobicContact CG-CG 4.46Å; Y157-F182 HydrophobicContact CG-CZ 4.15Å; Y157-I211 HydrophobicContact CD1-CG2 3.68Å; Y157-I211 HydrophobicContact CD2-CG2 4.46Å; Y157-I211 HydrophobicContact CE1-CG2 4.14Å; Y157-I211 HydrophobicContact CG-CG2 3.88Å; Y157-H213 PolarHBondContact N-O 3.35Å; Y157-K243 HydrophobicContact CE1-CB 4.37Å; Y157-F244 HydrophobicContact CE1-CB 3.78Å; Y157-F244 HydrophobicContact CE1-CD2 4.47Å; Y157-F244 AromaticContact CZ-CD2 3.92Å; Y157-F244 VanDerWaalsContact OH-CA 3.31Å; Y157-F244 WeakPolarHBondContact OH-CA 3.39Å; Y157-F244 WeakPolarHBondContact OH-CD2 3.32Å
158	D	98.7	Very high	98.3	Very high	4 Å²	4	22 Å²	22	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-67.7	-23.5	176	67	-68.7	0	0	0	112.8	T156 Y162 H213 W237 M240 K243 T297 R497	T156-D158 WeakPolarHBondContact CG2-OD1 3.19Å; D158-Y162 WeakPolarHBondContact O-CD2 3.28Å; D158-Y162 WeakPolarHBondContact O-CE2 3.43Å; D158-H213 IonicContact OD1-CD2 2.73Å; D158-H213 PolarHBondContact OD1-CD2 3.14Å; D158-H213 VanDerWaalsContact OD1-CD2 3.31Å; D158-H213 IonicContact OD1-NE2 2.8Å; D158-H213 PolarHBondContact OD1-NE2 2.95Å; D158-W237 HydrophobicContact CB-CZ3 4.27Å; D158-M240 HydrophobicContact CB-CG 4.34Å; D158-K243 HydrophobicContact CB-CD 4.14Å; D158-K243 PolarHBondContact O-NZ 2.97Å; D158-T297 WeakPolarHBondContact OD2-CB 3.45Å; D158-T297 PolarHBondContact OD2-OG1 2.94Å; D158-R497 PolarHBondContact O-NH1 3.22Å
159	V	98.8	Very high	98.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-85.6	-45.6	172.3	-177.6	0	0	0	0	110.6	E147 T156 Y157 F161 Y162 A163 Y495 M496 R497	E147-V159 HydrophobicContact CG-CG1 4.43Å; E147-V159 HydrophobicContact CG-CG2 4.02Å; T156-V159 HydrophobicContact CG2-CB 4.09Å; T156-V159 HydrophobicContact CG2-CG2 3.56Å; T156-V159 WeakPolarHBondContact O-CB 3.35Å; T156-V159 PolarHBondContact O-N 2.97Å; Y157-V159 PolarHBondContact O-N 3.31Å; V159-F161 PolarHBondContact O-N 2.99Å; V159-Y162 PolarHBondContact O-N 3.49Å; V159-A163 PolarHBondContact O-N 2.99Å; V159-Y495 HydrophobicContact CG1-CD1 4.42Å; V159-Y495 HydrophobicContact CG1-CE1 3.79Å; V159-Y495 HydrophobicContact CG2-CE1 4.44Å; V159-M496 HydrophobicContact CB-SD 4.17Å; V159-M496 HydrophobicContact CG1-CB 3.79Å; V159-M496 HydrophobicContact CG1-CG 3.86Å; V159-M496 HydrophobicContact CG1-SD 3.9Å; V159-R497 HydrophobicContact CG1-CB 3.78Å; V159-R497 HydrophobicContact CG1-CG 4.03Å
160	H	98.8	Very high	98.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-54.3	-38.6	178	-179.7	77.7	0	0	0	111.6	Y145 T156 Y157 Y162 A163 S164 E175 L178 M496	Y145-H160 AromaticContact CE1-ND1 3.72Å; Y145-H160 AromaticContact CZ-ND1 3.55Å; Y145-H160 PolarHBondContact OH-CE1 2.98Å; Y145-H160 PolarHBondContact OH-ND1 3.01Å; T156-H160 VanDerWaalsContact O-CB 3.24Å; T156-H160 WeakPolarHBondContact O-CB 3.44Å; T156-H160 PolarHBondContact O-N 3.19Å; Y157-H160 PolarHBondContact O-N 3.15Å; H160-Y162 PolarHBondContact O-N 3.11Å; H160-Y162 VanDerWaalsContact O-N 3.08Å; H160-A163 PolarHBondContact O-N 3.42Å; H160-S164 PolarHBondContact CD2-OG 3.48Å; H160-S164 WeakPolarHBondContact CE1-CB 2.95Å; H160-S164 WeakPolarHBondContact NE2-CB 3.32Å; H160-S164 PolarHBondContact NE2-OG 3.23Å; H160-S164 WeakPolarHBondContact O-CB 3.24Å; H160-S164 PolarHBondContact O-N 2.91Å; H160-S164 PolarHBondContact O-OG 2.69Å; H160-E175 IonicContact CD2-OE1 3.95Å; H160-E175 IonicContact CE1-OE1 3.94Å; H160-E175 IonicContact CE1-OE2 3.8Å; H160-E175 PolarHBondContact CE1-OE2 3.37Å; H160-E175 VanDerWaalsContact CE1-OE2 3.27Å; H160-E175 IonicContact NE2-OE1 3.84Å; H160-E175 PolarHBondContact NE2-OE1 2.74Å; H160-E175 IonicContact NE2-OE2 2.74Å; H160-E175 PolarHBondContact NE2-OE2 3.42Å; H160-L178 WeakPolarHBondContact CE1-CD1 3.28Å; H160-L178 VanDerWaalsContact NE2-CD2 3.31Å; H160-L178 WeakPolarHBondContact NE2-CD2 3.44Å; H160-M496 VanDerWaalsContact CA-SD 3.58Å; H160-M496 HydrophobicContact CB-SD 3.88Å
161	F	98.9	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-42.7	-44.1	171.3	173	-96.6	0	0	0	113.8	Y157 V159 K243 L246 L313 Y380	Y157-F161 PolarHBondContact O-N 3.5Å; V159-F161 PolarHBondContact O-N 2.99Å; F161-K243 HydrophobicContact CB-CB 4.27Å; F161-K243 HydrophobicContact CB-CD 3.87Å; F161-K243 HydrophobicContact CB-CG 4.18Å; F161-K243 HydrophobicContact CD1-CD 4.21Å; F161-K243 HydrophobicContact CD1-CG 4.22Å; F161-K243 HydrophobicContact CD2-CB 3.56Å; F161-K243 HydrophobicContact CD2-CD 4.18Å; F161-K243 HydrophobicContact CD2-CG 3.54Å; F161-K243 HydrophobicContact CE1-CG 4.49Å; F161-K243 HydrophobicContact CE2-CB 4.08Å; F161-K243 HydrophobicContact CE2-CG 3.84Å; F161-K243 HydrophobicContact CG-CB 4.05Å; F161-K243 HydrophobicContact CG-CD 3.83Å; F161-K243 HydrophobicContact CG-CG 3.72Å; F161-K243 HydrophobicContact CZ-CG 4.29Å; F161-L246 HydrophobicContact CE2-CB 3.98Å; F161-L246 HydrophobicContact CE2-CD1 4.09Å; F161-L246 HydrophobicContact CZ-CD1 4.37Å; F161-L313 HydrophobicContact CZ-CD2 4Å; F161-Y380 HydrophobicContact CD1-CD2 4.33Å; F161-Y380 HydrophobicContact CD1-CE2 4.09Å; F161-Y380 HydrophobicContact CD2-CD2 4.15Å; F161-Y380 AromaticContact CD2-CE2 3.64Å; F161-Y380 HydrophobicContact CD2-CE2 3.64Å; F161-Y380 AromaticContact CD2-CZ 3.9Å; F161-Y380 AromaticContact CE1-CD2 3.53Å; F161-Y380 HydrophobicContact CE1-CD2 3.53Å; F161-Y380 AromaticContact CE1-CE2 3.75Å; F161-Y380 HydrophobicContact CE1-CE2 3.75Å; F161-Y380 HydrophobicContact CE1-CG 4.47Å; F161-Y380 HydrophobicContact CE2-CD1 4.13Å; F161-Y380 AromaticContact CE2-CD2 3.33Å; F161-Y380 HydrophobicContact CE2-CD2 3.33Å; F161-Y380 HydrophobicContact CE2-CE1 4.07Å; F161-Y380 AromaticContact CE2-CE2 3.28Å; F161-Y380 HydrophobicContact CE2-CE2 3.28Å; F161-Y380 AromaticContact CE2-CG 3.74Å; F161-Y380 HydrophobicContact CE2-CG 3.74Å; F161-Y380 AromaticContact CE2-CZ 3.65Å; F161-Y380 HydrophobicContact CG-CE2 4.06Å; F161-Y380 HydrophobicContact CZ-CD1 4.38Å; F161-Y380 AromaticContact CZ-CD2 2.98Å; F161-Y380 HydrophobicContact CZ-CD2 2.98Å; F161-Y380 AromaticContact CZ-CE2 3.37Å; F161-Y380 HydrophobicContact CZ-CE2 3.37Å; F161-Y380 AromaticContact CZ-CG 3.55Å; F161-Y380 HydrophobicContact CZ-CG 3.55Å; F161-Y380 WeakPolarHBondContact O-CE2 3.47Å; F161-Y380 PolarHBondContact O-OH 3.42Å
162	Y	98.9	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-79.7	-39.4	178.6	-60.9	-95.5	0	0	0	111.7	D158 V159 H160 Y309 D373 V442 F445 R497 A500	D158-Y162 WeakPolarHBondContact O-CD2 3.28Å; D158-Y162 WeakPolarHBondContact O-CE2 3.43Å; V159-Y162 PolarHBondContact O-N 3.49Å; H160-Y162 PolarHBondContact O-N 3.11Å; H160-Y162 VanDerWaalsContact O-N 3.08Å; Y162-Y309 WeakPolarHBondContact OH-CE2 3.28Å; Y162-Y309 PolarHBondContact OH-OH 3.27Å; Y162-D373 PolarHBondContact OH-OD2 3.03Å; Y162-V442 HydrophobicContact CE1-CG2 4.23Å; Y162-F445 HydrophobicContact CD1-CB 3.93Å; Y162-F445 HydrophobicContact CD1-CD1 4.2Å; Y162-F445 HydrophobicContact CD1-CD2 4.45Å; Y162-F445 AromaticContact CD1-CG 3.93Å; Y162-F445 HydrophobicContact CD1-CG 3.93Å; Y162-F445 HydrophobicContact CE1-CB 4.47Å; Y162-F445 HydrophobicContact CE1-CD1 4.14Å; Y162-F445 HydrophobicContact CE1-CG 4.34Å; Y162-R497 HydrophobicContact CD2-CG 3.95Å; Y162-R497 VanDerWaalsContact CD2-NH1 3.29Å; Y162-R497 HydrophobicContact CG-CG 3.87Å; Y162-A500 VanDerWaalsContact O-CA 3.22Å; Y162-A500 WeakPolarHBondContact O-CA 3.26Å; Y162-A500 WeakPolarHBondContact O-CB 3.38Å
163	A	98.7	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-74.1	-32.4	-173.8	0	0	0	0	0	113.9	V159 H160 F165 A166 M496 L499	V159-A163 PolarHBondContact O-N 2.99Å; H160-A163 PolarHBondContact O-N 3.42Å; A163-F165 PolarHBondContact O-N 3.33Å; A163-F165 VanDerWaalsContact O-N 3.09Å; A163-A166 WeakPolarHBondContact O-CB 3.36Å; A163-A166 PolarHBondContact O-N 2.95Å; A163-M496 HydrophobicContact CB-CG 3.53Å; A163-M496 WeakPolarHBondContact CB-O 3.32Å; A163-M496 HydrophobicContact CB-SD 4.34Å; A163-L499 HydrophobicContact CB-CB 3.76Å; A163-L499 HydrophobicContact CB-CD1 4.14Å
164	S	98.6	Very high	98.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1	-162.2	56.7	0	0	0	0	115.7	H160 A166 L167 A168 E175 R250	H160-S164 PolarHBondContact CD2-OG 3.48Å; H160-S164 WeakPolarHBondContact CE1-CB 2.95Å; H160-S164 WeakPolarHBondContact NE2-CB 3.32Å; H160-S164 PolarHBondContact NE2-OG 3.23Å; H160-S164 WeakPolarHBondContact O-CB 3.24Å; H160-S164 PolarHBondContact O-N 2.91Å; H160-S164 PolarHBondContact O-OG 2.69Å; S164-A166 PolarHBondContact O-N 3.18Å; S164-L167 PolarHBondContact O-N 3.23Å; S164-A168 VanDerWaalsContact O-CB 3.28Å; S164-A168 WeakPolarHBondContact O-CB 3.39Å; S164-A168 PolarHBondContact O-N 3.02Å; S164-E175 VanDerWaalsContact CB-OE1 3.29Å; S164-E175 WeakPolarHBondContact CB-OE1 3.19Å; S164-E175 WeakPolarHBondContact CB-OE2 3.41Å; S164-E175 PolarHBondContact OG-OE1 2.91Å; S164-R250 VanDerWaalsContact C-NH1 3.31Å; S164-R250 PolarHBondContact OG-NH1 3.31Å; S164-R250 PolarHBondContact OG-NH2 2.97Å; S164-R250 VanDerWaalsContact OG-NH2 3.13Å
165	F	98.6	Very high	98.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-54.9	-35.3	160.6	-71.3	-82.9	0	0	0	112	A163 M169 R250 Y380 L383 F445 W502 A503 W506	A163-F165 PolarHBondContact O-N 3.33Å; A163-F165 VanDerWaalsContact O-N 3.09Å; F165-M169 WeakPolarHBondContact O-CB 3.11Å; F165-M169 WeakPolarHBondContact O-CG 3.49Å; F165-M169 PolarHBondContact O-N 3.15Å; F165-R250 HydrophobicContact CE1-CG 4.3Å; F165-Y380 HydrophobicContact CE2-CD2 4.01Å; F165-Y380 AromaticContact CE2-CE2 3.38Å; F165-Y380 HydrophobicContact CE2-CE2 3.38Å; F165-Y380 AromaticContact CE2-CZ 3.88Å; F165-Y380 AromaticContact CZ-CD2 3.92Å; F165-Y380 HydrophobicContact CZ-CD2 3.92Å; F165-Y380 HydrophobicContact CZ-CE1 4.28Å; F165-Y380 AromaticContact CZ-CE2 3.5Å; F165-Y380 HydrophobicContact CZ-CE2 3.5Å; F165-Y380 HydrophobicContact CZ-CG 4.48Å; F165-Y380 AromaticContact CZ-CZ 3.72Å; F165-L383 HydrophobicContact CE1-CB 4.34Å; F165-L383 HydrophobicContact CE1-CD1 4.19Å; F165-L383 HydrophobicContact CE2-CD1 4.49Å; F165-L383 HydrophobicContact CZ-CB 4.45Å; F165-L383 HydrophobicContact CZ-CD1 3.81Å; F165-F445 HydrophobicContact CE2-CD2 4.19Å; F165-F445 AromaticContact CE2-CE2 3.72Å; F165-F445 HydrophobicContact CE2-CE2 3.72Å; F165-F445 HydrophobicContact CZ-CE2 4.07Å; F165-W502 HydrophobicContact CB-CB 4.09Å; F165-A503 HydrophobicContact CB-CB 4.41Å; F165-A503 HydrophobicContact CD1-CB 4.33Å; F165-A503 HydrophobicContact CD2-CB 3.67Å; F165-A503 HydrophobicContact CE2-CB 3.95Å; F165-A503 HydrophobicContact CG-CB 3.87Å; F165-A503 HydrophobicContact CZ-CB 4.39Å; F165-W506 HydrophobicContact CD1-CB 3.78Å; F165-W506 AromaticContact CD1-CD1 3.71Å; F165-W506 AromaticContact CD1-CD2 3.75Å; F165-W506 HydrophobicContact CD1-CD2 3.75Å; F165-W506 HydrophobicContact CD1-CE3 4.35Å; F165-W506 AromaticContact CD1-CG 3.5Å; F165-W506 HydrophobicContact CD1-CG 3.5Å; F165-W506 VanDerWaalsContact CD1-CG 3.5Å; F165-W506 AromaticContact CD1-NE1 3.99Å; F165-W506 HydrophobicContact CE1-CB 4.41Å; F165-W506 AromaticContact CE1-CD1 3.49Å; F165-W506 VanDerWaalsContact CE1-CD1 3.49Å; F165-W506 HydrophobicContact CE1-CD2 4.09Å; F165-W506 AromaticContact CE1-CE2 3.96Å; F165-W506 AromaticContact CE1-CG 3.8Å; F165-W506 HydrophobicContact CE1-CG 3.8Å; F165-W506 AromaticContact CE1-NE1 3.54Å
166	A	98.4	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64	-46.6	176.5	0	0	0	0	0	111.7	L105 A163 S164 L170 L499 W502	L105-A166 HydrophobicContact CD2-CB 4.04Å; A163-A166 WeakPolarHBondContact O-CB 3.36Å; A163-A166 PolarHBondContact O-N 2.95Å; S164-A166 PolarHBondContact O-N 3.18Å; A166-L170 VanDerWaalsContact O-CB 3.32Å; A166-L170 WeakPolarHBondContact O-CB 3.08Å; A166-L170 WeakPolarHBondContact O-CG 3.4Å; A166-L170 PolarHBondContact O-N 3.47Å; A166-L170 VanDerWaalsContact O-N 3.12Å; A166-L499 HydrophobicContact CB-CB 4.28Å; A166-L499 HydrophobicContact CB-CD2 4.26Å; A166-W502 HydrophobicContact CB-CB 3.88Å; A166-W502 HydrophobicContact CB-CD2 4.22Å; A166-W502 HydrophobicContact CB-CG 3.65Å
167	L	98.1	Very high	98.4	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-69	-48.5	178.5	-73.4	169.8	0	0	0	111.5	L108 F143 Y145 S164 M169 L170 W171 E175	L108-L167 HydrophobicContact CD1-CD2 4.43Å; L108-L167 HydrophobicContact CD2-CD2 4.05Å; L108-L167 HydrophobicContact CD2-CG 4.18Å; F143-L167 HydrophobicContact CE1-CD1 3.84Å; F143-L167 HydrophobicContact CE1-CD2 4.01Å; F143-L167 HydrophobicContact CZ-CD2 4.12Å; Y145-L167 HydrophobicContact CE1-CD1 3.58Å; Y145-L167 WeakPolarHBondContact OH-CD1 3.21Å; S164-L167 PolarHBondContact O-N 3.23Å; L167-M169 PolarHBondContact O-N 2.71Å; L167-L170 PolarHBondContact O-N 2.99Å; L167-W171 HydrophobicContact CD2-CB 4.46Å; L167-W171 HydrophobicContact CD2-CE3 4.22Å; L167-W171 CarbonylContact O-C 3.58Å; L167-W171 WeakPolarHBondContact O-CA 3.44Å; L167-W171 PolarHBondContact O-N 3.22Å; L167-E175 HydrophobicContact CB-CB 4.14Å; L167-E175 WeakPolarHBondContact CB-OE2 3.42Å
168	A	98.4	Very high	98.4	Very high	3 Å²	3	16.6 Å²	16.6	3%	0.025	8%	0.079	C	C	.	.	H	α-helix	trans	-55.7	-37.1	178.1	0	0	0	0	0	112.5	S164 P172 E175 A254	S164-A168 VanDerWaalsContact O-CB 3.28Å; S164-A168 WeakPolarHBondContact O-CB 3.39Å; S164-A168 PolarHBondContact O-N 3.02Å; A168-P172 WeakPolarHBondContact O-CB 3.47Å; A168-E175 HydrophobicContact CB-CG 4.41Å; A168-A254 HydrophobicContact CB-CB 3.87Å
169	M	97.6	Very high	98.4	Very high	48 Å²	48	16.4 Å²	16.4	24%	0.236	8%	0.078	C	C	.	.	H	α-helix	trans	-77.3	-40.9	178.5	-73.4	-174.7	78.2	0	0	114.2	F165 L167 W502 H505 W506	F165-M169 WeakPolarHBondContact O-CB 3.11Å; F165-M169 WeakPolarHBondContact O-CG 3.49Å; F165-M169 PolarHBondContact O-N 3.15Å; L167-M169 PolarHBondContact O-N 2.71Å; M169-W502 HydrophobicContact CB-CE3 4.07Å; M169-W502 HydrophobicContact CB-CZ3 4.28Å; M169-W502 HydrophobicContact CE-CE3 4.38Å; M169-W502 HydrophobicContact CE-CZ3 4.36Å; M169-W502 HydrophobicContact CG-CE3 4.46Å; M169-W502 HydrophobicContact SD-CE3 3.71Å; M169-W502 HydrophobicContact SD-CZ3 4.26Å; M169-H505 HydrophobicContact CE-CB 4.32Å; M169-H505 HydrophobicContact SD-CB 4.3Å; M169-W506 HydrophobicContact CG-CE3 3.43Å; M169-W506 VanDerWaalsContact CG-CE3 3.43Å; M169-W506 HydrophobicContact CG-CZ3 4Å; M169-W506 VanDerWaalsContact SD-CA 3.51Å; M169-W506 HydrophobicContact SD-CB 3.67Å; M169-W506 HydrophobicContact SD-CE3 3.97Å; M169-W506 PolarHBondContact SD-N 2.95Å; M169-W506 VanDerWaalsContact SD-N 3.43Å
170	L	97.5	Very high	98.4	Very high	52 Å²	52	16.3 Å²	16.3	27%	0.272	8%	0.077	S	C	.	.	H	α-helix	trans	-105.7	-32.9	-164.8	-62.9	176.1	0	0	0	113.2	W83 L105 A166 L167 W502	W83-L170 HydrophobicContact CZ3-CD2 4.34Å; L105-L170 HydrophobicContact CD1-CD1 3.76Å; L105-L170 HydrophobicContact CD2-CD1 3.75Å; L105-L170 HydrophobicContact CG-CD1 4.42Å; A166-L170 VanDerWaalsContact O-CB 3.32Å; A166-L170 WeakPolarHBondContact O-CB 3.08Å; A166-L170 WeakPolarHBondContact O-CG 3.4Å; A166-L170 PolarHBondContact O-N 3.47Å; A166-L170 VanDerWaalsContact O-N 3.12Å; L167-L170 PolarHBondContact O-N 2.99Å; L170-W502 HydrophobicContact CD1-CD2 4.3Å; L170-W502 HydrophobicContact CD1-CE3 4.09Å; L170-W502 HydrophobicContact CD1-CH2 3.57Å; L170-W502 HydrophobicContact CD1-CZ2 3.75Å; L170-W502 HydrophobicContact CD1-CZ3 3.72Å; L170-W502 HydrophobicContact CD2-CE3 4.5Å; L170-W502 HydrophobicContact CD2-CH2 3.66Å; L170-W502 HydrophobicContact CD2-CZ3 3.56Å; L170-W502 HydrophobicContact CG-CE3 4.12Å; L170-W502 HydrophobicContact CG-CH2 3.91Å; L170-W502 HydrophobicContact CG-CZ3 3.63Å
171	W	98.1	Very high	98.3	Very high	113 Å²	113	16.6 Å²	16.6	43%	0.428	8%	0.078	S	C	.	.			trans	-138.1	59.8	179.5	-59.8	-80.3	0	0	0	110.3	L108 L167 Q173 L174 E175	L108-W171 HydrophobicContact CD1-CE3 3.87Å; L108-W171 HydrophobicContact CD1-CH2 4.02Å; L108-W171 HydrophobicContact CD1-CZ3 3.22Å; L167-W171 HydrophobicContact CD2-CB 4.46Å; L167-W171 HydrophobicContact CD2-CE3 4.22Å; L167-W171 CarbonylContact O-C 3.58Å; L167-W171 WeakPolarHBondContact O-CA 3.44Å; L167-W171 PolarHBondContact O-N 3.22Å; W171-Q173 PolarHBondContact O-N 3.22Å; W171-L174 HydrophobicContact CB-CB 4.17Å; W171-L174 HydrophobicContact CB-CD1 3.81Å; W171-L174 HydrophobicContact CB-CG 3.97Å; W171-L174 HydrophobicContact CG-CD1 4.13Å; W171-L174 WeakPolarHBondContact O-CB 3.42Å; W171-L174 PolarHBondContact O-N 3.45Å; W171-E175 PolarHBondContact O-N 3.33Å
172	P	98.2	Very high	98.3	Very high	34 Å²	34	16.6 Å²	16.6	22%	0.221	8%	0.079	C	C	.	.	H	α-helix	trans	-55.6	-30.1	-173.9	19.7	-32.6	0	0	0	112.9	A168 L174 E175 H176 L255	A168-P172 WeakPolarHBondContact O-CB 3.47Å; P172-L174 VanDerWaalsContact C-N 3.34Å; P172-L174 PolarHBondContact O-N 2.81Å; P172-E175 WeakPolarHBondContact O-CB 3.47Å; P172-E175 PolarHBondContact O-N 2.91Å; P172-H176 WeakPolarHBondContact O-CB 3.41Å; P172-H176 PolarHBondContact O-N 3.34Å; P172-L255 HydrophobicContact CB-CD2 4.06Å
173	Q	98.1	Very high	98.3	Very high	68 Å²	68	18.5 Å²	18.5	32%	0.318	9%	0.086	S	C	.	.	H	α-helix	trans	-70.4	-28.9	178.4	-57	-59.4	-28.1	0	0	113.2	F140 W171 V177	F140-Q173 HydrophobicContact CB-CB 4.3Å; F140-Q173 HydrophobicContact CD1-CB 3.53Å; F140-Q173 HydrophobicContact CD1-CG 4Å; F140-Q173 HydrophobicContact CD2-CB 3.8Å; F140-Q173 HydrophobicContact CD2-CG 4.35Å; F140-Q173 HydrophobicContact CE1-CB 3.68Å; F140-Q173 HydrophobicContact CE1-CG 3.57Å; F140-Q173 HydrophobicContact CE2-CB 3.93Å; F140-Q173 HydrophobicContact CE2-CG 3.95Å; F140-Q173 HydrophobicContact CG-CB 3.59Å; F140-Q173 HydrophobicContact CG-CG 4.37Å; F140-Q173 HydrophobicContact CZ-CB 3.87Å; F140-Q173 HydrophobicContact CZ-CG 3.54Å; W171-Q173 PolarHBondContact O-N 3.22Å; Q173-V177 WeakPolarHBondContact O-CG2 3.4Å; Q173-V177 PolarHBondContact O-N 3.32Å
174	L	98.3	Very high	98.2	Very high	11 Å²	11	18.7 Å²	18.7	6%	0.058	9%	0.087	C	C	.	.	H	α-helix	trans	-74.1	-39.3	172.5	-61.8	-176.4	0	0	0	111.1	W115 F143 W171 P172 H176 V177 L178	W115-L174 HydrophobicContact CD2-CD2 4.43Å; W115-L174 HydrophobicContact CH2-CD2 4.48Å; W115-L174 HydrophobicContact CZ2-CD2 3.62Å; F143-L174 HydrophobicContact CB-CB 4.47Å; F143-L174 HydrophobicContact CB-CD2 4.29Å; F143-L174 HydrophobicContact CD1-CB 4.45Å; F143-L174 HydrophobicContact CD2-CD1 3.87Å; F143-L174 HydrophobicContact CD2-CD2 4.46Å; F143-L174 HydrophobicContact CE2-CD1 4.01Å; F143-L174 HydrophobicContact CG-CB 4.27Å; F143-L174 HydrophobicContact CG-CD1 4.34Å; W171-L174 HydrophobicContact CB-CB 4.17Å; W171-L174 HydrophobicContact CB-CD1 3.81Å; W171-L174 HydrophobicContact CB-CG 3.97Å; W171-L174 HydrophobicContact CG-CD1 4.13Å; W171-L174 WeakPolarHBondContact O-CB 3.42Å; W171-L174 PolarHBondContact O-N 3.45Å; P172-L174 VanDerWaalsContact C-N 3.34Å; P172-L174 PolarHBondContact O-N 2.81Å; L174-H176 VanDerWaalsContact C-N 3.3Å; L174-V177 PolarHBondContact O-N 2.9Å; L174-L178 PolarHBondContact O-N 3.48Å; L174-L178 VanDerWaalsContact O-N 3.16Å
175	E	98.6	Very high	98.2	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-60.7	-42.8	171.7	-174.2	63.3	-174	0	0	111	H160 S164 L167 A168 W171 P172 V177 L178 Q179 R250 D251	H160-E175 IonicContact CD2-OE1 3.95Å; H160-E175 IonicContact CE1-OE1 3.94Å; H160-E175 IonicContact CE1-OE2 3.8Å; H160-E175 PolarHBondContact CE1-OE2 3.37Å; H160-E175 VanDerWaalsContact CE1-OE2 3.27Å; H160-E175 IonicContact NE2-OE1 3.84Å; H160-E175 PolarHBondContact NE2-OE1 2.74Å; H160-E175 IonicContact NE2-OE2 2.74Å; H160-E175 PolarHBondContact NE2-OE2 3.42Å; S164-E175 VanDerWaalsContact CB-OE1 3.29Å; S164-E175 WeakPolarHBondContact CB-OE1 3.19Å; S164-E175 WeakPolarHBondContact CB-OE2 3.41Å; S164-E175 PolarHBondContact OG-OE1 2.91Å; L167-E175 HydrophobicContact CB-CB 4.14Å; L167-E175 WeakPolarHBondContact CB-OE2 3.42Å; A168-E175 HydrophobicContact CB-CG 4.41Å; W171-E175 PolarHBondContact O-N 3.33Å; P172-E175 WeakPolarHBondContact O-CB 3.47Å; P172-E175 PolarHBondContact O-N 2.91Å; E175-V177 PolarHBondContact O-N 3.37Å; E175-L178 PolarHBondContact O-N 2.96Å; E175-Q179 WeakPolarHBondContact O-CB 3.39Å; E175-Q179 PolarHBondContact O-N 3.02Å; E175-R250 IonicContact OE1-CZ 3.31Å; E175-R250 IonicContact OE1-NH2 3.83Å; E175-R250 PolarHBondContact OE1-NH2 3.41Å; E175-D251 WeakPolarHBondContact CG-OD1 3.43Å; E175-D251 WeakPolarHBondContact CG-OD2 3.41Å
176	H	98.7	Very high	98.2	Very high	11 Å²	11	18.8 Å²	18.8	5%	0.051	9%	0.087	C	C	.	.	H	α-helix	trans	-58.2	-46.8	178	-173.8	-175.2	0	0	0	112.5	Y132 V136 P172 L174 Q179 A180 L255 F261	Y132-H176 AromaticContact CE1-NE2 3.61Å; Y132-H176 AromaticContact CZ-NE2 3.55Å; Y132-H176 PolarHBondContact OH-CE1 2.92Å; Y132-H176 PolarHBondContact OH-NE2 3.18Å; V136-H176 HydrophobicContact CG1-CB 4.31Å; P172-H176 WeakPolarHBondContact O-CB 3.41Å; P172-H176 PolarHBondContact O-N 3.34Å; L174-H176 VanDerWaalsContact C-N 3.3Å; H176-Q179 PolarHBondContact O-N 2.91Å; H176-A180 VanDerWaalsContact O-CB 3.29Å; H176-A180 WeakPolarHBondContact O-CB 3.38Å; H176-A180 PolarHBondContact O-N 3.01Å; H176-L255 HydrophobicContact CB-CD1 3.87Å; H176-L255 HydrophobicContact CB-CD2 3.86Å; H176-L255 HydrophobicContact CB-CG 4.45Å; H176-F261 AromaticContact CD2-CD2 3.75Å; H176-F261 AromaticContact NE2-CD2 3.78Å
177	V	98.3	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57	-53.3	174.7	174.3	0	0	0	0	110	V136 A137 F140 G141 Q173 L174 E175 Q179 A180 E181	V136-V177 HydrophobicContact CG1-CB 4.5Å; V136-V177 HydrophobicContact CG1-CG2 3.67Å; A137-V177 HydrophobicContact CB-CG1 4.39Å; F140-V177 HydrophobicContact CB-CG2 3.97Å; G141-V177 WeakPolarHBondContact O-CG1 3.33Å; G141-V177 WeakPolarHBondContact O-CG2 3.38Å; Q173-V177 WeakPolarHBondContact O-CG2 3.4Å; Q173-V177 PolarHBondContact O-N 3.32Å; L174-V177 PolarHBondContact O-N 2.9Å; E175-V177 PolarHBondContact O-N 3.37Å; V177-Q179 VanDerWaalsContact C-N 3.32Å; V177-Q179 PolarHBondContact O-N 3.06Å; V177-A180 PolarHBondContact O-N 2.8Å; V177-E181 HydrophobicContact CG1-CG 4.39Å; V177-E181 WeakPolarHBondContact O-CG 3.33Å; V177-E181 PolarHBondContact O-N 3.32Å
178	L	98.3	Very high	97.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56.9	-47.6	-177.7	-176.2	157.2	0	0	0	110.9	Y145 N155 Y157 H160 L174 E175 A180 E181 F182	Y145-L178 HydrophobicContact CE1-CD1 4.35Å; N155-L178 HydrophobicContact CB-CD1 4.11Å; N155-L178 VanDerWaalsContact CG-CD1 3.49Å; N155-L178 VanDerWaalsContact ND2-CD1 3.34Å; N155-L178 WeakPolarHBondContact ND2-CD1 3.25Å; Y157-L178 HydrophobicContact CE2-CD2 4.39Å; H160-L178 WeakPolarHBondContact CE1-CD1 3.28Å; H160-L178 VanDerWaalsContact NE2-CD2 3.31Å; H160-L178 WeakPolarHBondContact NE2-CD2 3.44Å; L174-L178 PolarHBondContact O-N 3.48Å; L174-L178 VanDerWaalsContact O-N 3.16Å; E175-L178 PolarHBondContact O-N 2.96Å; L178-A180 PolarHBondContact O-N 3.37Å; L178-E181 WeakPolarHBondContact O-CB 3.42Å; L178-E181 PolarHBondContact O-N 3.28Å; L178-F182 HydrophobicContact CD2-CD2 3.53Å; L178-F182 HydrophobicContact CD2-CE2 3.8Å; L178-F182 HydrophobicContact CG-CD2 4.03Å; L178-F182 HydrophobicContact CG-CE2 4.1Å; L178-F182 WeakPolarHBondContact O-CD2 3.37Å; L178-F182 PolarHBondContact O-N 3.35Å
179	Q	98.7	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.5	-37.5	-177.1	-163.9	61.5	9.9	0	0	112.6	Y157 E175 H176 V177 F182 R183 F244 C248 D251 F261	Y157-Q179 PolarHBondContact OH-NE2 2.59Å; Y157-Q179 PolarHBondContact OH-OE1 3.05Å; E175-Q179 WeakPolarHBondContact O-CB 3.39Å; E175-Q179 PolarHBondContact O-N 3.02Å; H176-Q179 PolarHBondContact O-N 2.91Å; V177-Q179 VanDerWaalsContact C-N 3.32Å; V177-Q179 PolarHBondContact O-N 3.06Å; Q179-F182 PolarHBondContact O-N 3.43Å; Q179-R183 PolarHBondContact O-N 3.47Å; Q179-F244 VanDerWaalsContact NE2-CD2 3.27Å; Q179-C248 PolarHBondContact NE2-SG 3.39Å; Q179-D251 WeakPolarHBondContact CG-OD2 2.91Å; Q179-F261 HydrophobicContact CB-CE2 4.35Å; Q179-F261 HydrophobicContact CB-CZ 4.33Å; Q179-F261 HydrophobicContact CG-CE2 4.1Å; Q179-F261 HydrophobicContact CG-CZ 3.72Å
180	A	98.5	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.2	-39.6	173.3	0	0	0	0	0	111.8	Y132 T133 H176 V177 L178 R183 D184	Y132-A180 HydrophobicContact CD1-CB 4.23Å; Y132-A180 HydrophobicContact CE1-CB 4.14Å; T133-A180 HydrophobicContact CG2-CB 4.1Å; T133-A180 PolarHBondContact OG1-O 3.08Å; H176-A180 VanDerWaalsContact O-CB 3.29Å; H176-A180 WeakPolarHBondContact O-CB 3.38Å; H176-A180 PolarHBondContact O-N 3.01Å; V177-A180 PolarHBondContact O-N 2.8Å; L178-A180 PolarHBondContact O-N 3.37Å; A180-R183 WeakPolarHBondContact O-CB 3.49Å; A180-R183 PolarHBondContact O-N 2.93Å; A180-D184 PolarHBondContact O-N 3.03Å
181	E	97.6	Very high	97.6	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.023	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-47.3	173.8	-68.8	-170.6	102.6	0	0	111.9	T133 R142 V177 L178 R183 D184 L185	T133-E181 HydrophobicContact CG2-CB 4.41Å; T133-E181 HydrophobicContact CG2-CG 3.64Å; R142-E181 IonicContact CZ-OE1 3.28Å; R142-E181 IonicContact NE-OE1 3.55Å; R142-E181 PolarHBondContact NE-OE1 3.5Å; R142-E181 IonicContact NE-OE2 3.95Å; R142-E181 IonicContact NH2-OE1 2.99Å; R142-E181 PolarHBondContact NH2-OE1 3.3Å; V177-E181 HydrophobicContact CG1-CG 4.39Å; V177-E181 WeakPolarHBondContact O-CG 3.33Å; V177-E181 PolarHBondContact O-N 3.32Å; L178-E181 WeakPolarHBondContact O-CB 3.42Å; L178-E181 PolarHBondContact O-N 3.28Å; E181-R183 PolarHBondContact O-N 3.4Å; E181-D184 PolarHBondContact O-N 2.88Å; E181-L185 VanDerWaalsContact O-CG 3.28Å; E181-L185 WeakPolarHBondContact O-CG 3.47Å; E181-L185 PolarHBondContact O-N 2.92Å
182	F	98.5	Very high	97.5	Very high	1 Å²	1	27 Å²	27	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-61.6	-33.9	178.4	-92.2	-83.3	0	0	0	113	N155 Y157 L178 Q179 L185 Y186 I211 P212 I215 F244	N155-F182 HydrophobicContact CB-CE2 3.76Å; N155-F182 HydrophobicContact CB-CZ 4.01Å; N155-F182 VanDerWaalsContact O-CZ 3.24Å; N155-F182 WeakPolarHBondContact O-CZ 3.36Å; Y157-F182 HydrophobicContact CD2-CB 4.28Å; Y157-F182 AromaticContact CD2-CD1 3.3Å; Y157-F182 HydrophobicContact CD2-CD1 3.3Å; Y157-F182 AromaticContact CD2-CD2 3.68Å; Y157-F182 HydrophobicContact CD2-CD2 3.68Å; Y157-F182 AromaticContact CD2-CE1 3.32Å; Y157-F182 HydrophobicContact CD2-CE1 3.32Å; Y157-F182 AromaticContact CD2-CE2 3.71Å; Y157-F182 HydrophobicContact CD2-CE2 3.71Å; Y157-F182 AromaticContact CD2-CG 3.46Å; Y157-F182 HydrophobicContact CD2-CG 3.46Å; Y157-F182 VanDerWaalsContact CD2-CG 3.46Å; Y157-F182 AromaticContact CD2-CZ 3.52Å; Y157-F182 HydrophobicContact CD2-CZ 3.52Å; Y157-F182 HydrophobicContact CE2-CB 3.87Å; Y157-F182 AromaticContact CE2-CD1 3.76Å; Y157-F182 HydrophobicContact CE2-CD1 3.76Å; Y157-F182 AromaticContact CE2-CD2 3.85Å; Y157-F182 HydrophobicContact CE2-CD2 3.85Å; Y157-F182 HydrophobicContact CE2-CE1 4.23Å; Y157-F182 HydrophobicContact CE2-CE2 4.32Å; Y157-F182 AromaticContact CE2-CG 3.53Å; Y157-F182 HydrophobicContact CE2-CG 3.53Å; Y157-F182 HydrophobicContact CE2-CZ 4.49Å; Y157-F182 AromaticContact CG-CD1 3.89Å; Y157-F182 HydrophobicContact CG-CD1 3.89Å; Y157-F182 AromaticContact CG-CE1 3.7Å; Y157-F182 HydrophobicContact CG-CE1 3.7Å; Y157-F182 HydrophobicContact CG-CG 4.46Å; Y157-F182 HydrophobicContact CG-CZ 4.15Å; L178-F182 HydrophobicContact CD2-CD2 3.53Å; L178-F182 HydrophobicContact CD2-CE2 3.8Å; L178-F182 HydrophobicContact CG-CD2 4.03Å; L178-F182 HydrophobicContact CG-CE2 4.1Å; L178-F182 WeakPolarHBondContact O-CD2 3.37Å; L178-F182 PolarHBondContact O-N 3.35Å; Q179-F182 PolarHBondContact O-N 3.43Å; F182-L185 PolarHBondContact O-N 3.37Å; F182-Y186 PolarHBondContact O-N 2.8Å; F182-Y186 VanDerWaalsContact O-N 3.16Å; F182-I211 HydrophobicContact CD1-CG2 3.8Å; F182-I211 HydrophobicContact CE1-CG2 4.23Å; F182-I211 WeakPolarHBondContact O-CD1 3.29Å; F182-P212 HydrophobicContact CD1-CG 4.06Å; F182-P212 HydrophobicContact CE1-CG 3.85Å; F182-I215 HydrophobicContact CE1-CG2 4.25Å; F182-I215 HydrophobicContact CE2-CG2 3.67Å; F182-I215 HydrophobicContact CZ-CG2 3.52Å; F182-F244 HydrophobicContact CB-CD2 4.41Å; F182-F244 HydrophobicContact CB-CE2 4.34Å
183	R	98.4	Very high	97.5	Very high	40 Å²	40	32.6 Å²	32.6	15%	0.151	15%	0.152	C	C	.	.	H	α-helix	trans	-58	-48.7	170.3	-178.7	-81.8	-166.5	-160.5	-8.8	110.8	Q179 A180 E181 Y186 F244 H264 V265	Q179-R183 PolarHBondContact O-N 3.47Å; A180-R183 WeakPolarHBondContact O-CB 3.49Å; A180-R183 PolarHBondContact O-N 2.93Å; E181-R183 PolarHBondContact O-N 3.4Å; R183-Y186 WeakPolarHBondContact O-CB 3.12Å; R183-Y186 PolarHBondContact O-N 3.08Å; R183-F244 HydrophobicContact CB-CE2 3.97Å; R183-F244 HydrophobicContact CB-CZ 3.67Å; R183-F244 HydrophobicContact CG-CZ 4.06Å; R183-H264 WeakPolarHBondContact CD-NE2 3.25Å; R183-H264 PolarHBondContact NE-CE1 3.06Å; R183-H264 PolarHBondContact NE-NE2 2.89Å; R183-H264 PolarHBondContact NE-O 3.18Å; R183-H264 PolarHBondContact NH2-O 3.4Å; R183-V265 HydrophobicContact CB-CG1 4.48Å; R183-V265 HydrophobicContact CG-CG1 4.21Å
184	D	97.9	Very high	97.4	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-70	-34.7	-179.2	-71.6	-23	0	0	0	112.2	S130 T133 A180 E181 Y186 Y187	S130-D184 WeakPolarHBondContact CB-OD1 3.28Å; S130-D184 VanDerWaalsContact CB-OD2 3.29Å; S130-D184 WeakPolarHBondContact CB-OD2 3.14Å; S130-D184 PolarHBondContact N-OD2 3.2Å; S130-D184 PolarHBondContact OG-OD1 2.91Å; S130-D184 PolarHBondContact OG-OD2 2.68Å; T133-D184 WeakPolarHBondContact CB-OD2 3.46Å; T133-D184 PolarHBondContact OG1-OD2 3.13Å; A180-D184 PolarHBondContact O-N 3.03Å; E181-D184 PolarHBondContact O-N 2.88Å; D184-Y186 PolarHBondContact O-N 3.44Å; D184-Y187 PolarHBondContact O-N 3.04Å; D184-Y187 VanDerWaalsContact O-N 3.16Å
185	L	97.5	Very high	97.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-19	176	-68	174.9	0	0	0	114.1	E181 F182 Y187 L188 K206 P212 I215 V226	E181-L185 VanDerWaalsContact O-CG 3.28Å; E181-L185 WeakPolarHBondContact O-CG 3.47Å; E181-L185 PolarHBondContact O-N 2.92Å; F182-L185 PolarHBondContact O-N 3.37Å; L185-Y187 PolarHBondContact O-N 3.47Å; L185-L188 HydrophobicContact CD2-CB 4.27Å; L185-L188 HydrophobicContact CD2-CD2 3.59Å; L185-L188 PolarHBondContact O-N 2.62Å; L185-K206 WeakPolarHBondContact O-CE 3.26Å; L185-K206 PolarHBondContact O-NZ 3.24Å; L185-P212 HydrophobicContact CB-CG 3.76Å; L185-P212 HydrophobicContact CD1-CG 3.95Å; L185-P212 HydrophobicContact CG-CG 4.44Å; L185-I215 HydrophobicContact CD1-CG2 3.7Å; L185-V226 HydrophobicContact CD1-CG1 4.27Å; L185-V226 HydrophobicContact CD2-CG1 3.91Å
186	Y	97.9	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.7	170.3	179.6	-100	0	0	0	111.9	F182 R183 D184 K206 F209 I211 T268 E271 I272	F182-Y186 PolarHBondContact O-N 2.8Å; F182-Y186 VanDerWaalsContact O-N 3.16Å; R183-Y186 WeakPolarHBondContact O-CB 3.12Å; R183-Y186 PolarHBondContact O-N 3.08Å; D184-Y186 PolarHBondContact O-N 3.44Å; Y186-K206 PolarHBondContact O-NZ 3.18Å; Y186-F209 HydrophobicContact CE1-CB 4.49Å; Y186-F209 AromaticContact CE1-CD1 3.92Å; Y186-F209 HydrophobicContact CE1-CD1 3.92Å; Y186-F209 HydrophobicContact CE2-CB 4.5Å; Y186-F209 VanDerWaalsContact CE2-O 3.32Å; Y186-F209 WeakPolarHBondContact CE2-O 2.97Å; Y186-F209 PolarHBondContact O-N 3.45Å; Y186-I211 HydrophobicContact CD2-CD1 4.08Å; Y186-I211 HydrophobicContact CD2-CG1 4.17Å; Y186-I211 HydrophobicContact CG-CD1 4.49Å; Y186-T268 HydrophobicContact CD1-CG2 3.7Å; Y186-T268 HydrophobicContact CD2-CG2 4.19Å; Y186-T268 HydrophobicContact CE1-CG2 4.06Å; Y186-T268 HydrophobicContact CG-CG2 3.74Å; Y186-E271 HydrophobicContact CE1-CG 4.47Å; Y186-E271 VanDerWaalsContact CE1-OE2 3.32Å; Y186-E271 WeakPolarHBondContact CE1-OE2 3.39Å; Y186-I272 HydrophobicContact CD2-CD1 4.26Å; Y186-I272 HydrophobicContact CD2-CG1 4.27Å; Y186-I272 HydrophobicContact CE2-CD1 3.93Å; Y186-I272 HydrophobicContact CE2-CG1 3.45Å; Y186-I272 VanDerWaalsContact CE2-CG1 3.45Å
187	Y	96.6	Very high	97.3	Very high	88 Å²	88	41.2 Å²	41.2	35%	0.345	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.7	-179	-60.7	-72.6	0	0	0	113.5	D184 L185 T268 E271	D184-Y187 PolarHBondContact O-N 3.04Å; D184-Y187 VanDerWaalsContact O-N 3.16Å; L185-Y187 PolarHBondContact O-N 3.47Å; Y187-T268 PolarHBondContact OH-OG1 2.72Å; Y187-E271 WeakPolarHBondContact CE1-OE2 3.37Å; Y187-E271 PolarHBondContact OH-OE2 2.87Å
188	L	95.2	Very high	97.1	Very high	30 Å²	30	46.3 Å²	46.3	16%	0.157	22%	0.216	C	C	.	.			trans	-64.3	140.4	177.6	-176.7	66.1	0	0	0	110.4	H128 L185 K206 V226	H128-L188 HydrophobicContact CB-CD1 4.13Å; L185-L188 HydrophobicContact CD2-CB 4.27Å; L185-L188 HydrophobicContact CD2-CD2 3.59Å; L185-L188 PolarHBondContact O-N 2.62Å; L188-K206 WeakPolarHBondContact O-CG 3.36Å; L188-K206 PolarHBondContact O-NZ 3.29Å; L188-V226 HydrophobicContact CD2-CG1 4.22Å; L188-V226 HydrophobicContact CD2-CG2 4.08Å
189	T	95.2	Very high	96.8	Very high	53 Å²	53	51.5 Å²	51.5	33%	0.325	24%	0.244	S	C	.	.			trans	-126.4	136.8	172.8	-63.4	0	0	0	0	109.6	K191 K206	T189-K191 HydrophobicContact CG2-CD 3.54Å; T189-K191 HydrophobicContact CG2-CG 3.9Å; T189-K191 VanDerWaalsContact CG2-NZ 3.32Å; T189-K206 WeakPolarHBondContact CA-O 3.09Å
190	D	95.2	Very high	96.7	Very high	38 Å²	38	53 Å²	53	20%	0.203	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	110.6	169.4	-174.4	-15.5	0	0	0	108.7	E192 H204 R205 K206	D190-E192 VanDerWaalsContact C-N 3.31Å; D190-E192 PolarHBondContact O-N 2.86Å; D190-E192 VanDerWaalsContact OD1-CB 3.28Å; D190-E192 WeakPolarHBondContact OD1-CB 3.44Å; D190-E192 PolarHBondContact OD1-N 2.86Å; D190-H204 WeakPolarHBondContact O-CB 3.18Å; D190-R205 HydrophobicContact CB-CB 4.21Å; D190-R205 PolarHBondContact O-N 2.74Å; D190-R205 WeakPolarHBondContact OD2-CD 3.27Å; D190-R205 IonicContact OD2-NE 3.71Å; D190-K206 HydrophobicContact CB-CB 3.92Å; D190-K206 PolarHBondContact N-O 3.31Å; D190-K206 PolarHBondContact O-N 3.01Å; D190-K206 VanDerWaalsContact O-N 3.12Å
191	K	95.9	Very high	96.6	Very high	107 Å²	107	54.7 Å²	54.7	47%	0.465	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	9.2	-177.1	-61.4	-53.9	-166.4	-157.1	0	113.7	T189 E193 H204 E207	T189-K191 HydrophobicContact CG2-CD 3.54Å; T189-K191 HydrophobicContact CG2-CG 3.9Å; T189-K191 VanDerWaalsContact CG2-NZ 3.32Å; K191-E193 PolarHBondContact O-N 3.27Å; K191-H204 HydrophobicContact CD-CB 4.33Å; K191-H204 PolarHBondContact O-CD2 3.36Å; K191-E207 IonicContact NZ-OE2 2.65Å; K191-E207 PolarHBondContact NZ-OE2 2.7Å
192	E	96	Very high	96.6	Very high	74 Å²	74	58.9 Å²	58.9	35%	0.346	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	122.7	168	-175.7	-171.1	167.9	0	0	109.7	D190 V194 H204 R205 K225	D190-E192 VanDerWaalsContact C-N 3.31Å; D190-E192 PolarHBondContact O-N 2.86Å; D190-E192 VanDerWaalsContact OD1-CB 3.28Å; D190-E192 WeakPolarHBondContact OD1-CB 3.44Å; D190-E192 PolarHBondContact OD1-N 2.86Å; E192-V194 PolarHBondContact O-N 2.69Å; E192-H204 CarbonylContact O-C 3.47Å; E192-H204 WeakPolarHBondContact O-CA 3.31Å; E192-R205 HydrophobicContact CB-CB 4.45Å; E192-R205 VanDerWaalsContact CD-NH2 3.29Å; E192-R205 PolarHBondContact O-N 2.81Å; E192-R205 IonicContact OE1-CZ 2.76Å; E192-R205 IonicContact OE1-NE 2.77Å; E192-R205 IonicContact OE1-NH2 2.7Å; E192-R205 PolarHBondContact OE1-NH2 3.16Å; E192-R205 IonicContact OE2-CZ 2.79Å; E192-R205 IonicContact OE2-NE 3.96Å; E192-R205 PolarHBondContact OE2-NE 2.94Å; E192-R205 IonicContact OE2-NH2 3.42Å; E192-R205 PolarHBondContact OE2-NH2 2.8Å; E192-K225 VanDerWaalsContact CD-NZ 3.29Å; E192-K225 IonicContact OE1-NZ 3.87Å; E192-K225 PolarHBondContact OE1-NZ 3.25Å; E192-K225 WeakPolarHBondContact OE2-CE 3.48Å; E192-K225 IonicContact OE2-NZ 3.94Å; E192-K225 PolarHBondContact OE2-NZ 3.08Å
193	E	97.5	Very high	96.5	Very high	151 Å²	151	59.7 Å²	59.7	71%	0.706	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.6	173.5	-70.8	-172.2	127.1	0	0	110	K191 V202 G203	K191-E193 PolarHBondContact O-N 3.27Å; E193-V202 HydrophobicContact CB-CG1 4.11Å; E193-V202 HydrophobicContact CG-CG1 4.45Å; E193-G203 CarbonylContact C-O 3.13Å; E193-G203 WeakPolarHBondContact CA-O 3.13Å
194	V	97.1	Very high	96.4	Very high	10 Å²	10	60.5 Å²	60.5	6%	0.061	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.3	176.2	-62.9	0	0	0	0	109.8	E192 F196 V202 G203 R205	E192-V194 PolarHBondContact O-N 2.69Å; V194-F196 HydrophobicContact CG2-CD1 4.33Å; V194-F196 HydrophobicContact CG2-CE1 3.68Å; V194-F196 HydrophobicContact CG2-CE2 4.15Å; V194-F196 HydrophobicContact CG2-CZ 3.58Å; V194-V202 WeakPolarHBondContact O-CA 3.43Å; V194-G203 PolarHBondContact N-O 3.35Å; V194-G203 PolarHBondContact O-N 3.47Å; V194-G203 VanDerWaalsContact O-N 3.08Å; V194-R205 HydrophobicContact CG1-CB 3.98Å; V194-R205 VanDerWaalsContact CG1-NH2 3.34Å
195	K	98	Very high	96.3	Very high	139 Å²	139	61.2 Å²	61.2	60%	0.604	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.6	171.1	-174.5	178.8	-179.2	179.6	0	108.9	G200 S201 V202	K195-G200 WeakPolarHBondContact CE-O 3.2Å; K195-S201 CarbonylContact C-O 3.58Å; K195-S201 WeakPolarHBondContact CA-O 3.17Å; K195-V202 HydrophobicContact CB-CG2 4.42Å; K195-V202 HydrophobicContact CG-CG2 4.43Å
196	F	97.7	Very high	96.3	Very high	5 Å²	5	61.2 Å²	61.2	2%	0.022	31%	0.313	C	S	.	.			trans	-72.4	135.3	177.6	-61.1	-69.5	0	0	0	110.7	V194 G200 S201 I230 H232 D233	V194-F196 HydrophobicContact CG2-CD1 4.33Å; V194-F196 HydrophobicContact CG2-CE1 3.68Å; V194-F196 HydrophobicContact CG2-CE2 4.15Å; V194-F196 HydrophobicContact CG2-CZ 3.58Å; F196-G200 WeakPolarHBondContact O-CA 3.48Å; F196-G200 PolarHBondContact O-N 3.03Å; F196-S201 PolarHBondContact N-O 3.21Å; F196-I230 CarbonylContact C-O 3.59Å; F196-I230 VanDerWaalsContact CA-O 3.27Å; F196-I230 WeakPolarHBondContact CA-O 3.4Å; F196-H232 WeakPolarHBondContact CD1-O 3.28Å; F196-H232 WeakPolarHBondContact CE1-O 3.47Å; F196-D233 HydrophobicContact CD1-CB 4.28Å; F196-D233 HydrophobicContact CD2-CB 3.85Å; F196-D233 VanDerWaalsContact CE1-CA 3.49Å; F196-D233 HydrophobicContact CE1-CB 4Å; F196-D233 HydrophobicContact CE2-CB 3.52Å; F196-D233 HydrophobicContact CG-CB 4.21Å; F196-D233 HydrophobicContact CZ-CB 3.6Å
197	L	97.1	Very high	96.2	Very high	119 Å²	119	63.7 Å²	63.7	62%	0.623	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-28.6	-166.8	-57.2	177.9	0	0	0	113.3	I230 I231	L197-I230 HydrophobicContact CD1-CD1 4.25Å; L197-I230 HydrophobicContact CD1-CG1 4.08Å; L197-I230 HydrophobicContact CD2-CD1 4.32Å; L197-I230 HydrophobicContact CG-CD1 4.2Å; L197-I230 HydrophobicContact CG-CG1 4.15Å; L197-I230 PolarHBondContact N-O 3.2Å; L197-I231 HydrophobicContact CD1-CG1 4.48Å; L197-I231 PolarHBondContact N-O 2.92Å
198	F	94.2	Very high	96.1	Very high	108 Å²	108	64.6 Å²	64.6	47%	0.474	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-47.1	-172.8	-168.5	-93.6	0	0	0	113	I231 H232	F198-I231 HydrophobicContact CB-CG2 4.01Å; F198-I231 WeakPolarHBondContact CB-O 3.36Å; F198-I231 HydrophobicContact CD2-CG2 4.26Å; F198-I231 PolarHBondContact N-O 3.33Å; F198-H232 VanDerWaalsContact CB-CE1 3.5Å; F198-H232 WeakPolarHBondContact CB-CE1 3.44Å; F198-H232 AromaticContact CD1-CE1 3.42Å; F198-H232 VanDerWaalsContact CD1-CE1 3.42Å; F198-H232 WeakPolarHBondContact CD1-CE1 3.44Å; F198-H232 AromaticContact CD1-ND1 3.85Å; F198-H232 AromaticContact CD2-CE1 3.35Å; F198-H232 WeakPolarHBondContact CD2-CE1 3.39Å; F198-H232 AromaticContact CD2-NE2 3.77Å; F198-H232 AromaticContact CE1-CE1 3.89Å; F198-H232 AromaticContact CE2-CE1 3.82Å; F198-H232 AromaticContact CG-CE1 3.12Å; F198-H232 WeakPolarHBondContact CG-CE1 3.44Å; F198-H232 AromaticContact CG-ND1 3.65Å; F198-H232 AromaticContact CG-NE2 3.94Å
199	D	93.2	Very high	96.1	Very high	109 Å²	109	66 Å²	66	58%	0.583	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-7.1	-177.8	70.6	-3.9	0	0	0	113.7	S201	D199-S201 VanDerWaalsContact CG-OG 3.31Å; D199-S201 PolarHBondContact O-N 2.63Å; D199-S201 WeakPolarHBondContact OD1-CB 3.28Å; D199-S201 PolarHBondContact OD1-N 2.9Å; D199-S201 PolarHBondContact OD1-OG 3.29Å; D199-S201 PolarHBondContact OD2-OG 2.95Å
200	G	95.7	Very high	96.2	Very high	31 Å²	31	63.8 Å²	63.8	32%	0.32	32%	0.323	S	S	.	.			trans	74.8	8	-178.1	0	0	0	0	0	114.6	K195 F196	K195-G200 WeakPolarHBondContact CE-O 3.2Å; F196-G200 WeakPolarHBondContact O-CA 3.48Å; F196-G200 PolarHBondContact O-N 3.03Å
201	S	95.8	Very high	96.4	Very high	35 Å²	35	62 Å²	62	25%	0.245	31%	0.314	C	S	.	.			trans	-64.7	156.7	175.9	66.3	0	0	0	0	111.4	K195 F196 D199	K195-S201 CarbonylContact C-O 3.58Å; K195-S201 WeakPolarHBondContact CA-O 3.17Å; F196-S201 PolarHBondContact N-O 3.21Å; D199-S201 VanDerWaalsContact CG-OG 3.31Å; D199-S201 PolarHBondContact O-N 2.63Å; D199-S201 WeakPolarHBondContact OD1-CB 3.28Å; D199-S201 PolarHBondContact OD1-N 2.9Å; D199-S201 PolarHBondContact OD1-OG 3.29Å; D199-S201 PolarHBondContact OD2-OG 2.95Å
202	V	97.5	Very high	96.5	Very high	93 Å²	93	56.9 Å²	56.9	56%	0.564	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	135	176.6	-179.4	0	0	0	0	108.3	E193 V194 K195	E193-V202 HydrophobicContact CB-CG1 4.11Å; E193-V202 HydrophobicContact CG-CG1 4.45Å; V194-V202 WeakPolarHBondContact O-CA 3.43Å; K195-V202 HydrophobicContact CB-CG2 4.42Å; K195-V202 HydrophobicContact CG-CG2 4.43Å
203	G	96.4	Very high	96.6	Very high	19 Å²	19	53.5 Å²	53.5	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-173.7	174.6	0	0	0	0	0	110.9	E193 V194	E193-G203 CarbonylContact C-O 3.13Å; E193-G203 WeakPolarHBondContact CA-O 3.13Å; V194-G203 PolarHBondContact N-O 3.35Å; V194-G203 PolarHBondContact O-N 3.47Å; V194-G203 VanDerWaalsContact O-N 3.08Å
204	H	97.1	Very high	96.6	Very high	57 Å²	57	46.3 Å²	46.3	26%	0.264	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	148.8	176.5	-58.3	128.7	0	0	0	111.1	D190 K191 E192 K206 E207	D190-H204 WeakPolarHBondContact O-CB 3.18Å; K191-H204 HydrophobicContact CD-CB 4.33Å; K191-H204 PolarHBondContact O-CD2 3.36Å; E192-H204 CarbonylContact O-C 3.47Å; E192-H204 WeakPolarHBondContact O-CA 3.31Å; H204-K206 VanDerWaalsContact C-N 3.32Å; H204-K206 PolarHBondContact O-N 2.73Å; H204-E207 HydrophobicContact CB-CG 4.5Å; H204-E207 IonicContact CE1-OE1 2.71Å; H204-E207 IonicContact CG-OE1 3.23Å; H204-E207 IonicContact ND1-OE1 2.78Å; H204-E207 PolarHBondContact ND1-OE1 2.86Å; H204-E207 IonicContact ND1-OE2 3.09Å; H204-E207 PolarHBondContact ND1-OE2 3.48Å
205	R	96.3	Very high	96.7	Very high	18 Å²	18	45.9 Å²	45.9	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	-43.4	176	179.1	174	-58.9	-74.6	-1.3	112.4	D190 E192 V194 K225 V226 N227	D190-R205 HydrophobicContact CB-CB 4.21Å; D190-R205 PolarHBondContact O-N 2.74Å; D190-R205 WeakPolarHBondContact OD2-CD 3.27Å; D190-R205 IonicContact OD2-NE 3.71Å; E192-R205 HydrophobicContact CB-CB 4.45Å; E192-R205 VanDerWaalsContact CD-NH2 3.29Å; E192-R205 PolarHBondContact O-N 2.81Å; E192-R205 IonicContact OE1-CZ 2.76Å; E192-R205 IonicContact OE1-NE 2.77Å; E192-R205 IonicContact OE1-NH2 2.7Å; E192-R205 PolarHBondContact OE1-NH2 3.16Å; E192-R205 IonicContact OE2-CZ 2.79Å; E192-R205 IonicContact OE2-NE 3.96Å; E192-R205 PolarHBondContact OE2-NE 2.94Å; E192-R205 IonicContact OE2-NH2 3.42Å; E192-R205 PolarHBondContact OE2-NH2 2.8Å; V194-R205 HydrophobicContact CG1-CB 3.98Å; V194-R205 VanDerWaalsContact CG1-NH2 3.34Å; R205-K225 VanDerWaalsContact NH2-CE 3.3Å; R205-V226 VanDerWaalsContact CD-O 3.23Å; R205-V226 WeakPolarHBondContact CD-O 3.12Å; R205-V226 WeakPolarHBondContact CG-O 3.16Å; R205-N227 HydrophobicContact CG-CB 4.08Å; R205-N227 PolarHBondContact NH1-O 3.14Å; R205-N227 WeakPolarHBondContact O-CB 3.17Å; R205-N227 PolarHBondContact O-ND2 3.28Å
206	K	97	Very high	96.6	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	117.6	-179.9	177.2	62.1	173.5	59.1	0	110.6	L185 Y186 L188 T189 D190 H204 C210 P212 V226	L185-K206 WeakPolarHBondContact O-CE 3.26Å; L185-K206 PolarHBondContact O-NZ 3.24Å; Y186-K206 PolarHBondContact O-NZ 3.18Å; L188-K206 WeakPolarHBondContact O-CG 3.36Å; L188-K206 PolarHBondContact O-NZ 3.29Å; T189-K206 WeakPolarHBondContact CA-O 3.09Å; D190-K206 HydrophobicContact CB-CB 3.92Å; D190-K206 PolarHBondContact N-O 3.31Å; D190-K206 PolarHBondContact O-N 3.01Å; D190-K206 VanDerWaalsContact O-N 3.12Å; H204-K206 VanDerWaalsContact C-N 3.32Å; H204-K206 PolarHBondContact O-N 2.73Å; K206-C210 WeakPolarHBondContact CE-O 3.37Å; K206-C210 PolarHBondContact NZ-O 3.19Å; K206-P212 HydrophobicContact CD-CB 4.11Å; K206-V226 HydrophobicContact CB-CG2 4.01Å; K206-V226 HydrophobicContact CD-CG2 4.29Å; K206-V226 HydrophobicContact CG-CG2 3.94Å
207	E	96.3	Very high	96.5	Very high	53 Å²	53	40 Å²	40	25%	0.248	22%	0.216	C	C	.	.			trans	-89.1	158.4	171.7	-63.2	-70.3	-169.3	0	0	111.3	K191 H204 C210	K191-E207 IonicContact NZ-OE2 2.65Å; K191-E207 PolarHBondContact NZ-OE2 2.7Å; H204-E207 HydrophobicContact CB-CG 4.5Å; H204-E207 IonicContact CE1-OE1 2.71Å; H204-E207 IonicContact CG-OE1 3.23Å; H204-E207 IonicContact ND1-OE1 2.78Å; H204-E207 PolarHBondContact ND1-OE1 2.86Å; H204-E207 IonicContact ND1-OE2 3.09Å; H204-E207 PolarHBondContact ND1-OE2 3.48Å; E207-C210 PolarHBondContact O-SG 3.38Å
208	E	93.9	Very high	96.4	Very high	107 Å²	107	36 Å²	36	50%	0.5	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	164.7	168.7	54.4	176.7	-171.3	0	0	111.8	C210	E208-C210 PolarHBondContact O-N 3.28Å
209	F	95.7	Very high	96.3	Very high	59 Å²	59	33 Å²	33	26%	0.259	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	23.6	178.2	-48.6	-64.5	0	0	0	115.4	Y186 N241 E271 F275	Y186-F209 HydrophobicContact CE1-CB 4.49Å; Y186-F209 AromaticContact CE1-CD1 3.92Å; Y186-F209 HydrophobicContact CE1-CD1 3.92Å; Y186-F209 HydrophobicContact CE2-CB 4.5Å; Y186-F209 VanDerWaalsContact CE2-O 3.32Å; Y186-F209 WeakPolarHBondContact CE2-O 2.97Å; Y186-F209 PolarHBondContact O-N 3.45Å; F209-N241 PolarHBondContact O-ND2 3.14Å; F209-E271 HydrophobicContact CD1-CG 4.24Å; F209-E271 HydrophobicContact CE1-CG 4.4Å; F209-E271 WeakPolarHBondContact CE1-OE1 3.16Å; F209-F275 HydrophobicContact CB-CD2 3.84Å; F209-F275 HydrophobicContact CB-CE2 3.85Å; F209-F275 HydrophobicContact CB-CG 4.42Å; F209-F275 HydrophobicContact CB-CZ 4.45Å; F209-F275 HydrophobicContact CD2-CE2 4.43Å; F209-F275 HydrophobicContact CG-CD2 4.28Å; F209-F275 HydrophobicContact CG-CE2 4.43Å
210	C	96.9	Very high	96.1	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.041	18%	0.182	C	C	.	.	S	Bend	trans	-137.1	138.9	170.7	62.4	0	0	0	0	110.3	K206 E207 E208 N241	K206-C210 WeakPolarHBondContact CE-O 3.37Å; K206-C210 PolarHBondContact NZ-O 3.19Å; E207-C210 PolarHBondContact O-SG 3.38Å; E208-C210 PolarHBondContact O-N 3.28Å; C210-N241 WeakPolarHBondContact CA-OD1 3.35Å
211	I	98.5	Very high	96	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.			trans	-59.7	138.1	163.5	-67.5	-64.3	0	0	0	107.5	Y157 F182 Y186 M240 N241 F244	Y157-I211 HydrophobicContact CD1-CG2 3.68Å; Y157-I211 HydrophobicContact CD2-CG2 4.46Å; Y157-I211 HydrophobicContact CE1-CG2 4.14Å; Y157-I211 HydrophobicContact CG-CG2 3.88Å; F182-I211 HydrophobicContact CD1-CG2 3.8Å; F182-I211 HydrophobicContact CE1-CG2 4.23Å; F182-I211 WeakPolarHBondContact O-CD1 3.29Å; Y186-I211 HydrophobicContact CD2-CD1 4.08Å; Y186-I211 HydrophobicContact CD2-CG1 4.17Å; Y186-I211 HydrophobicContact CG-CD1 4.49Å; I211-M240 HydrophobicContact CB-CB 4.42Å; I211-M240 HydrophobicContact CB-CE 4.49Å; I211-M240 HydrophobicContact CG2-CE 4.48Å; I211-M240 WeakPolarHBondContact O-CE 3.39Å; I211-N241 PolarHBondContact N-OD1 3.35Å; I211-F244 HydrophobicContact CD1-CB 4.01Å; I211-F244 HydrophobicContact CD1-CD1 4.24Å; I211-F244 HydrophobicContact CD1-CD2 3.47Å; I211-F244 VanDerWaalsContact CD1-CD2 3.47Å; I211-F244 HydrophobicContact CD1-CE2 3.97Å; I211-F244 HydrophobicContact CD1-CG 3.63Å; I211-F244 HydrophobicContact CG1-CB 3.71Å; I211-F244 HydrophobicContact CG1-CD2 4.16Å; I211-F244 HydrophobicContact CG1-CG 3.91Å
212	P	98.3	Very high	95.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.			trans	-69.3	153	169.8	29.5	-34.6	0	0	0	110.4	F182 L185 K206 V226 N227 M240	F182-P212 HydrophobicContact CD1-CG 4.06Å; F182-P212 HydrophobicContact CE1-CG 3.85Å; L185-P212 HydrophobicContact CB-CG 3.76Å; L185-P212 HydrophobicContact CD1-CG 3.95Å; L185-P212 HydrophobicContact CG-CG 4.44Å; K206-P212 HydrophobicContact CD-CB 4.11Å; P212-V226 HydrophobicContact CB-CB 4.05Å; P212-V226 HydrophobicContact CB-CG2 4.07Å; P212-N227 WeakPolarHBondContact CA-OD1 3.29Å; P212-N227 WeakPolarHBondContact CB-OD1 3.43Å; P212-M240 VanDerWaalsContact C-CE 3.45Å
213	H	98.6	Very high	95.6	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.019	13%	0.132	C	C	.	.	S	Bend	trans	-65.6	-43.1	174.6	169.9	-86.5	0	0	0	111.1	T156 Y157 D158 N227 Y229 T234 W237 M240	T156-H213 CarbonylContact C-O 3.59Å; T156-H213 VanDerWaalsContact CA-O 3.24Å; T156-H213 WeakPolarHBondContact CA-O 3.2Å; T156-H213 WeakPolarHBondContact CG2-CE1 3.48Å; T156-H213 WeakPolarHBondContact CG2-NE2 3.45Å; Y157-H213 PolarHBondContact N-O 3.35Å; D158-H213 IonicContact OD1-CD2 2.73Å; D158-H213 PolarHBondContact OD1-CD2 3.14Å; D158-H213 VanDerWaalsContact OD1-CD2 3.31Å; D158-H213 IonicContact OD1-NE2 2.8Å; D158-H213 PolarHBondContact OD1-NE2 2.95Å; H213-N227 PolarHBondContact N-OD1 2.58Å; H213-Y229 VanDerWaalsContact CE1-CB 3.47Å; H213-Y229 WeakPolarHBondContact CE1-CB 3.27Å; H213-Y229 AromaticContact CE1-CD2 3.66Å; H213-Y229 AromaticContact CE1-CG 3.6Å; H213-Y229 WeakPolarHBondContact ND1-CB 3.35Å; H213-Y229 AromaticContact ND1-CG 3.73Å; H213-Y229 AromaticContact NE2-CD2 3.88Å; H213-Y229 AromaticContact NE2-CG 3.85Å; H213-T234 HydrophobicContact CB-CG2 3.73Å; H213-W237 AromaticContact CD2-CH2 3.97Å; H213-W237 AromaticContact CD2-CZ3 3.9Å; H213-M240 VanDerWaalsContact CA-SD 3.54Å; H213-M240 HydrophobicContact CB-CE 4.24Å; H213-M240 HydrophobicContact CB-SD 3.88Å
214	D	98.6	Very high	95.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.			trans	-148	161.2	-179.7	62.7	80	0	0	0	109.2	M153 Y154 G216 V226 N227 A228 Y229	M153-D214 HydrophobicContact CB-CB 3.88Å; Y154-D214 WeakPolarHBondContact O-CB 3.28Å; D214-G216 PolarHBondContact O-N 3Å; D214-G216 VanDerWaalsContact OD1-CA 3.22Å; D214-G216 WeakPolarHBondContact OD1-CA 3.45Å; D214-G216 PolarHBondContact OD1-N 2.65Å; D214-V226 WeakPolarHBondContact O-CB 3.32Å; D214-N227 PolarHBondContact O-N 2.85Å; D214-A228 WeakPolarHBondContact OD1-CB 3.38Å; D214-A228 PolarHBondContact OD1-N 2.93Å; D214-A228 PolarHBondContact OD2-N 2.76Å; D214-A228 VanDerWaalsContact OD2-N 3.16Å; D214-Y229 WeakPolarHBondContact OD2-CB 3.05Å; D214-Y229 PolarHBondContact OD2-N 3.06Å
215	I	97.3	Very high	95.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-86.4	15.3	178	63.8	160.2	0	0	0	112.5	A144 Y154 N155 F182 L185 P222 W223	A144-I215 HydrophobicContact CB-CD1 3.65Å; Y154-I215 VanDerWaalsContact CB-CG1 3.44Å; Y154-I215 VanDerWaalsContact O-CG1 3.31Å; Y154-I215 WeakPolarHBondContact O-CG1 3.41Å; Y154-I215 PolarHBondContact O-N 2.91Å; N155-I215 HydrophobicContact CB-CD1 4.44Å; N155-I215 HydrophobicContact CB-CG1 4.19Å; F182-I215 HydrophobicContact CE1-CG2 4.25Å; F182-I215 HydrophobicContact CE2-CG2 3.67Å; F182-I215 HydrophobicContact CZ-CG2 3.52Å; L185-I215 HydrophobicContact CD1-CG2 3.7Å; I215-P222 CarbonylContact O-C 3.55Å; I215-P222 VanDerWaalsContact O-CA 3.31Å; I215-P222 WeakPolarHBondContact O-CA 3.36Å; I215-W223 HydrophobicContact CD1-CD2 4.09Å; I215-W223 VanDerWaalsContact CD1-CE2 3.49Å; I215-W223 HydrophobicContact CD1-CG 4.09Å; I215-W223 HydrophobicContact CD1-CZ2 4.02Å; I215-W223 PolarHBondContact O-N 2.93Å
216	G	96.4	Very high	95.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.			trans	111.9	-166.5	-179.7	0	0	0	0	0	113.5	M153 Y154 D214 K225	M153-G216 CarbonylContact C-O 3.57Å; M153-G216 WeakPolarHBondContact CA-O 3.28Å; Y154-G216 PolarHBondContact N-O 2.87Å; D214-G216 PolarHBondContact O-N 3Å; D214-G216 VanDerWaalsContact OD1-CA 3.22Å; D214-G216 WeakPolarHBondContact OD1-CA 3.45Å; D214-G216 PolarHBondContact OD1-N 2.65Å; G216-K225 VanDerWaalsContact CA-O 3.29Å; G216-K225 WeakPolarHBondContact CA-O 3.35Å
217	C	95.4	Very high	95.2	Very high	20 Å²	20	25.9 Å²	25.9	14%	0.135	14%	0.136	C	C	.	.			trans	-138.5	161.8	-176.3	80	0	0	0	0	111.2	R152 G219 W220 A228	R152-C217 WeakPolarHBondContact O-CA 3.24Å; R152-C217 WeakPolarHBondContact O-CB 3.23Å; C217-G219 PolarHBondContact O-N 3.4Å; C217-G219 PolarHBondContact SG-N 3.24Å; C217-W220 HydrophobicContact CB-CZ2 4.41Å; C217-W220 VanDerWaalsContact N-NE1 3.19Å; C217-W220 PolarHBondContact O-N 2.77Å; C217-W220 WeakPolarHBondContact SG-CZ2 3.12Å; C217-W220 PolarHBondContact SG-NE1 3.46Å; C217-A228 HydrophobicContact CB-CB 3.83Å
218	P	94.5	Very high	95.2	Very high	37 Å²	37	24 Å²	24	24%	0.24	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-12.8	175.8	-21	30.4	0	0	0	115.5	F41 L146 R152 Y154	F41-P218 HydrophobicContact CD1-CB 4.37Å; L146-P218 HydrophobicContact CD2-CG 3.97Å; R152-P218 HydrophobicContact CB-CG 4.5Å; R152-P218 WeakPolarHBondContact O-CD 3.23Å; Y154-P218 HydrophobicContact CE2-CB 4.43Å; Y154-P218 HydrophobicContact CE2-CG 3.66Å
219	G	92.9	Very high	95.4	Very high	44 Å²	44	19.8 Å²	19.8	45%	0.454	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.4	179.4	0	0	0	0	0	114.8	S42 C217	S42-G219 VanDerWaalsContact CB-O 3.28Å; S42-G219 WeakPolarHBondContact CB-O 3.36Å; S42-G219 PolarHBondContact OG-O 2.94Å; C217-G219 PolarHBondContact O-N 3.4Å; C217-G219 PolarHBondContact SG-N 3.24Å
220	W	90.2	Very high	95.4	Very high	72 Å²	72	19.3 Å²	19.3	27%	0.273	11%	0.109	S	C	.	.	S	Bend	trans	-140.7	-168.4	171.3	42.2	60.6	0	0	0	109.2	F41 C217 P222 K225 A228	F41-W220 VanDerWaalsContact CB-O 3.3Å; F41-W220 WeakPolarHBondContact CB-O 3.42Å; C217-W220 HydrophobicContact CB-CZ2 4.41Å; C217-W220 VanDerWaalsContact N-NE1 3.19Å; C217-W220 PolarHBondContact O-N 2.77Å; C217-W220 WeakPolarHBondContact SG-CZ2 3.12Å; C217-W220 PolarHBondContact SG-NE1 3.46Å; W220-P222 WeakPolarHBondContact O-CD 3.3Å; W220-K225 HydrophobicContact CB-CD 4.29Å; W220-K225 HydrophobicContact CD2-CD 4.08Å; W220-K225 HydrophobicContact CE3-CD 4.36Å; W220-K225 HydrophobicContact CG-CB 4.36Å; W220-K225 HydrophobicContact CG-CD 4.05Å; W220-K225 HydrophobicContact CG-CG 4.39Å; W220-K225 PolarHBondContact NE1-O 3.35Å; W220-A228 VanDerWaalsContact CZ2-CA 3.46Å; W220-A228 HydrophobicContact CZ2-CB 3.43Å; W220-A228 VanDerWaalsContact CZ2-CB 3.43Å
221	E	92.6	Very high	95.4	Very high	14 Å²	14	22 Å²	22	7%	0.065	12%	0.122	C	C	.	.			trans	-80	108.6	-179.8	-160.9	53.6	-99	0	0	110.7	F41 T44 R46 Y48 L224 K225	F41-E221 WeakPolarHBondContact CD2-OE1 3.48Å; T44-E221 VanDerWaalsContact CB-OE2 3.27Å; T44-E221 WeakPolarHBondContact CB-OE2 3.5Å; T44-E221 HydrophobicContact CG2-CB 3.99Å; T44-E221 PolarHBondContact OG1-OE2 3.29Å; R46-E221 VanDerWaalsContact CB-OE2 3.29Å; R46-E221 WeakPolarHBondContact CB-OE2 3.45Å; Y48-E221 WeakPolarHBondContact CE2-OE1 3.36Å; Y48-E221 PolarHBondContact OH-OE1 3.25Å; E221-L224 HydrophobicContact CB-CB 4.27Å; E221-L224 HydrophobicContact CG-CB 4.13Å; E221-L224 HydrophobicContact CG-CD1 3.79Å; E221-L224 HydrophobicContact CG-CG 4.21Å; E221-K225 PolarHBondContact O-N 3.12Å
222	P	93	Very high	95.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	159.8	173.6	-15.1	32.3	0	0	0	110.2	F41 Y154 I215 W220 L224	F41-P222 HydrophobicContact CB-CG 4.48Å; F41-P222 HydrophobicContact CD1-CG 4.02Å; F41-P222 HydrophobicContact CD2-CG 3.79Å; F41-P222 HydrophobicContact CE1-CG 4.11Å; F41-P222 HydrophobicContact CE2-CG 3.87Å; F41-P222 VanDerWaalsContact CG-CD 3.5Å; F41-P222 HydrophobicContact CG-CG 3.84Å; F41-P222 HydrophobicContact CZ-CG 4.01Å; Y154-P222 HydrophobicContact CD2-CB 4.03Å; Y154-P222 HydrophobicContact CD2-CG 3.85Å; Y154-P222 HydrophobicContact CE2-CG 3.91Å; I215-P222 CarbonylContact O-C 3.55Å; I215-P222 VanDerWaalsContact O-CA 3.31Å; I215-P222 WeakPolarHBondContact O-CA 3.36Å; W220-P222 WeakPolarHBondContact O-CD 3.3Å; P222-L224 PolarHBondContact O-N 2.79Å
223	W	92.4	Very high	95.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-36.8	-171.7	-52.6	-84.2	0	0	0	116.2	F41 Y48 V114 F116 R142 A144 I215	F41-W223 AromaticContact CE2-CZ3 3.97Å; F41-W223 HydrophobicContact CE2-CZ3 3.97Å; F41-W223 HydrophobicContact CZ-CZ3 4.44Å; Y48-W223 HydrophobicContact CE1-CE3 4.27Å; Y48-W223 AromaticContact CE1-CZ3 3.93Å; Y48-W223 HydrophobicContact CE1-CZ3 3.93Å; Y48-W223 AromaticContact CZ-CZ3 4Å; V114-W223 HydrophobicContact CG2-CH2 4.01Å; F116-W223 AromaticContact CD2-CH2 3.52Å; F116-W223 HydrophobicContact CD2-CH2 3.52Å; F116-W223 AromaticContact CD2-CZ3 3.9Å; F116-W223 HydrophobicContact CD2-CZ3 3.9Å; F116-W223 AromaticContact CE2-CH2 3.46Å; F116-W223 HydrophobicContact CE2-CH2 3.46Å; F116-W223 VanDerWaalsContact CE2-CH2 3.46Å; F116-W223 AromaticContact CE2-CZ3 3.69Å; F116-W223 HydrophobicContact CE2-CZ3 3.69Å; R142-W223 VanDerWaalsContact CD-CE2 3.41Å; R142-W223 HydrophobicContact CG-CH2 4.36Å; R142-W223 HydrophobicContact CG-CZ2 3.63Å; R142-W223 VanDerWaalsContact CZ-CB 3.42Å; R142-W223 VanDerWaalsContact NE-CD2 3.3Å; R142-W223 VanDerWaalsContact NE-CG 3.34Å; A144-W223 HydrophobicContact CB-CZ2 3.85Å; I215-W223 HydrophobicContact CD1-CD2 4.09Å; I215-W223 VanDerWaalsContact CD1-CE2 3.49Å; I215-W223 HydrophobicContact CD1-CG 4.09Å; I215-W223 HydrophobicContact CD1-CZ2 4.02Å; I215-W223 PolarHBondContact O-N 2.93Å
224	L	91.2	Very high	95.2	Very high	71 Å²	71	23.9 Å²	23.9	37%	0.372	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-43.5	174.6	-72.9	-177.3	0	0	0	112.2	E126 E221 P222	E126-L224 HydrophobicContact CG-CD2 3.41Å; E126-L224 VanDerWaalsContact CG-CD2 3.41Å; E126-L224 HydrophobicContact CG-CG 4.26Å; E221-L224 HydrophobicContact CB-CB 4.27Å; E221-L224 HydrophobicContact CG-CB 4.13Å; E221-L224 HydrophobicContact CG-CD1 3.79Å; E221-L224 HydrophobicContact CG-CG 4.21Å; P222-L224 PolarHBondContact O-N 2.79Å
225	K	93.2	Very high	95	Very high	54 Å²	54	25.2 Å²	25.2	24%	0.235	14%	0.141	C	C	.	.	S	Bend	trans	-112.2	77.5	179.2	-167.3	168.7	-175.2	160.1	0	110.7	E192 R205 G216 W220 E221	E192-K225 VanDerWaalsContact CD-NZ 3.29Å; E192-K225 IonicContact OE1-NZ 3.87Å; E192-K225 PolarHBondContact OE1-NZ 3.25Å; E192-K225 WeakPolarHBondContact OE2-CE 3.48Å; E192-K225 IonicContact OE2-NZ 3.94Å; E192-K225 PolarHBondContact OE2-NZ 3.08Å; R205-K225 VanDerWaalsContact NH2-CE 3.3Å; G216-K225 VanDerWaalsContact CA-O 3.29Å; G216-K225 WeakPolarHBondContact CA-O 3.35Å; W220-K225 HydrophobicContact CB-CD 4.29Å; W220-K225 HydrophobicContact CD2-CD 4.08Å; W220-K225 HydrophobicContact CE3-CD 4.36Å; W220-K225 HydrophobicContact CG-CB 4.36Å; W220-K225 HydrophobicContact CG-CD 4.05Å; W220-K225 HydrophobicContact CG-CG 4.39Å; W220-K225 PolarHBondContact NE1-O 3.35Å; E221-K225 PolarHBondContact O-N 3.12Å
226	V	96.2	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.			trans	-70.6	171.2	177.4	-55.6	0	0	0	0	112.2	L185 L188 R205 K206 P212 D214	L185-V226 HydrophobicContact CD1-CG1 4.27Å; L185-V226 HydrophobicContact CD2-CG1 3.91Å; L188-V226 HydrophobicContact CD2-CG1 4.22Å; L188-V226 HydrophobicContact CD2-CG2 4.08Å; R205-V226 VanDerWaalsContact CD-O 3.23Å; R205-V226 WeakPolarHBondContact CD-O 3.12Å; R205-V226 WeakPolarHBondContact CG-O 3.16Å; K206-V226 HydrophobicContact CB-CG2 4.01Å; K206-V226 HydrophobicContact CD-CG2 4.29Å; K206-V226 HydrophobicContact CG-CG2 3.94Å; P212-V226 HydrophobicContact CB-CB 4.05Å; P212-V226 HydrophobicContact CB-CG2 4.07Å; D214-V226 WeakPolarHBondContact O-CB 3.32Å
227	N	97.6	Very high	95	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	16%	0.162	C	C	.	.			trans	54.4	62.6	-176.7	-70.9	-10.4	0	0	0	111.5	R205 P212 H213 D214	R205-N227 HydrophobicContact CG-CB 4.08Å; R205-N227 PolarHBondContact NH1-O 3.14Å; R205-N227 WeakPolarHBondContact O-CB 3.17Å; R205-N227 PolarHBondContact O-ND2 3.28Å; P212-N227 WeakPolarHBondContact CA-OD1 3.29Å; P212-N227 WeakPolarHBondContact CB-OD1 3.43Å; H213-N227 PolarHBondContact N-OD1 2.58Å; D214-N227 PolarHBondContact O-N 2.85Å
228	A	96.8	Very high	95.1	Very high	13 Å²	13	30.1 Å²	30.1	11%	0.107	16%	0.159	C	C	.	.			trans	-64	-32.1	166.5	0	0	0	0	0	111.9	M153 D214 C217 W220 I230	M153-A228 HydrophobicContact CG-CB 3.97Å; D214-A228 WeakPolarHBondContact OD1-CB 3.38Å; D214-A228 PolarHBondContact OD1-N 2.93Å; D214-A228 PolarHBondContact OD2-N 2.76Å; D214-A228 VanDerWaalsContact OD2-N 3.16Å; C217-A228 HydrophobicContact CB-CB 3.83Å; W220-A228 VanDerWaalsContact CZ2-CA 3.46Å; W220-A228 HydrophobicContact CZ2-CB 3.43Å; W220-A228 VanDerWaalsContact CZ2-CB 3.43Å; A228-I230 PolarHBondContact O-N 3.35Å
229	Y	97.5	Very high	95.3	Very high	18 Å²	18	28.3 Å²	28.3	7%	0.071	15%	0.148	C	C	.	.			trans	-63	119.6	170.9	-172.4	-96.7	0	0	0	112	M153 H213 D214 I231 H232 T234 W237 D299	M153-Y229 HydrophobicContact CE-CD2 4.05Å; M153-Y229 VanDerWaalsContact SD-CB 3.57Å; M153-Y229 HydrophobicContact SD-CD2 3.85Å; M153-Y229 HydrophobicContact SD-CG 4.22Å; H213-Y229 VanDerWaalsContact CE1-CB 3.47Å; H213-Y229 WeakPolarHBondContact CE1-CB 3.27Å; H213-Y229 AromaticContact CE1-CD2 3.66Å; H213-Y229 AromaticContact CE1-CG 3.6Å; H213-Y229 WeakPolarHBondContact ND1-CB 3.35Å; H213-Y229 AromaticContact ND1-CG 3.73Å; H213-Y229 AromaticContact NE2-CD2 3.88Å; H213-Y229 AromaticContact NE2-CG 3.85Å; D214-Y229 WeakPolarHBondContact OD2-CB 3.05Å; D214-Y229 PolarHBondContact OD2-N 3.06Å; Y229-I231 HydrophobicContact CE1-CB 4.01Å; Y229-I231 HydrophobicContact CE2-CB 3.87Å; Y229-I231 HydrophobicContact CE2-CD1 3.81Å; Y229-I231 HydrophobicContact CE2-CG1 3.96Å; Y229-H232 HydrophobicContact CE1-CB 4.17Å; Y229-H232 PolarHBondContact OH-CD2 3.05Å; Y229-H232 VanDerWaalsContact OH-CD2 3.28Å; Y229-T234 HydrophobicContact CD1-CG2 3.46Å; Y229-T234 VanDerWaalsContact CD1-CG2 3.46Å; Y229-T234 HydrophobicContact CE1-CG2 3.75Å; Y229-W237 HydrophobicContact CE1-CH2 4.43Å; Y229-W237 AromaticContact CE1-CZ2 3.95Å; Y229-W237 HydrophobicContact CE1-CZ2 3.95Å; Y229-D299 VanDerWaalsContact OH-CB 3.28Å; Y229-D299 WeakPolarHBondContact OH-CB 3.42Å; Y229-D299 PolarHBondContact OH-OD2 3.48Å
230	I	96	Very high	95.5	Very high	50 Å²	50	26.4 Å²	26.4	26%	0.256	13%	0.127	S	C	.	.			trans	-128.9	16.5	179.2	59.3	165.2	0	0	0	112.6	F196 L197 A228	F196-I230 CarbonylContact C-O 3.59Å; F196-I230 VanDerWaalsContact CA-O 3.27Å; F196-I230 WeakPolarHBondContact CA-O 3.4Å; L197-I230 HydrophobicContact CD1-CD1 4.25Å; L197-I230 HydrophobicContact CD1-CG1 4.08Å; L197-I230 HydrophobicContact CD2-CD1 4.32Å; L197-I230 HydrophobicContact CG-CD1 4.2Å; L197-I230 HydrophobicContact CG-CG1 4.15Å; L197-I230 PolarHBondContact N-O 3.2Å; A228-I230 PolarHBondContact O-N 3.35Å
231	I	96.9	Very high	95.9	Very high	61 Å²	61	23.1 Å²	23.1	31%	0.313	12%	0.115	S	C	.	.	S	Bend	trans	-66.6	-49.4	174.8	-63.2	179.1	0	0	0	109.3	L197 F198 Y229	L197-I231 HydrophobicContact CD1-CG1 4.48Å; L197-I231 PolarHBondContact N-O 2.92Å; F198-I231 HydrophobicContact CB-CG2 4.01Å; F198-I231 WeakPolarHBondContact CB-O 3.36Å; F198-I231 HydrophobicContact CD2-CG2 4.26Å; F198-I231 PolarHBondContact N-O 3.33Å; Y229-I231 HydrophobicContact CE1-CB 4.01Å; Y229-I231 HydrophobicContact CE2-CB 3.87Å; Y229-I231 HydrophobicContact CE2-CD1 3.81Å; Y229-I231 HydrophobicContact CE2-CG1 3.96Å
232	H	96.8	Very high	96.2	Very high	17 Å²	17	22.5 Å²	22.5	8%	0.079	11%	0.112	C	C	.	.	S	Bend	trans	-121.4	161.7	173.7	-59.1	-79.5	0	0	0	111.7	F196 F198 Y229 T234 D299	F196-H232 WeakPolarHBondContact CD1-O 3.28Å; F196-H232 WeakPolarHBondContact CE1-O 3.47Å; F198-H232 VanDerWaalsContact CB-CE1 3.5Å; F198-H232 WeakPolarHBondContact CB-CE1 3.44Å; F198-H232 AromaticContact CD1-CE1 3.42Å; F198-H232 VanDerWaalsContact CD1-CE1 3.42Å; F198-H232 WeakPolarHBondContact CD1-CE1 3.44Å; F198-H232 AromaticContact CD1-ND1 3.85Å; F198-H232 AromaticContact CD2-CE1 3.35Å; F198-H232 WeakPolarHBondContact CD2-CE1 3.39Å; F198-H232 AromaticContact CD2-NE2 3.77Å; F198-H232 AromaticContact CE1-CE1 3.89Å; F198-H232 AromaticContact CE2-CE1 3.82Å; F198-H232 AromaticContact CG-CE1 3.12Å; F198-H232 WeakPolarHBondContact CG-CE1 3.44Å; F198-H232 AromaticContact CG-ND1 3.65Å; F198-H232 AromaticContact CG-NE2 3.94Å; Y229-H232 HydrophobicContact CE1-CB 4.17Å; Y229-H232 PolarHBondContact OH-CD2 3.05Å; Y229-H232 VanDerWaalsContact OH-CD2 3.28Å; H232-T234 PolarHBondContact O-N 3.06Å; H232-D299 PolarHBondContact CE1-O 3.25Å; H232-D299 PolarHBondContact NE2-O 2.99Å
233	D	96.3	Very high	96.5	Very high	24 Å²	24	22.5 Å²	22.5	13%	0.128	11%	0.112	C	C	.	.			trans	-73.2	99	164.3	-177.4	-3.2	0	0	0	110.2	F196 S235 K236	F196-D233 HydrophobicContact CD1-CB 4.28Å; F196-D233 HydrophobicContact CD2-CB 3.85Å; F196-D233 VanDerWaalsContact CE1-CA 3.49Å; F196-D233 HydrophobicContact CE1-CB 4Å; F196-D233 HydrophobicContact CE2-CB 3.52Å; F196-D233 HydrophobicContact CG-CB 4.21Å; F196-D233 HydrophobicContact CZ-CB 3.6Å; D233-S235 PolarHBondContact O-N 3.18Å; D233-S235 WeakPolarHBondContact OD1-CB 3.23Å; D233-S235 PolarHBondContact OD1-N 3.15Å; D233-S235 PolarHBondContact OD1-OG 3.07Å; D233-S235 PolarHBondContact OD2-OG 3.48Å; D233-K236 HydrophobicContact CB-CD 4.22Å; D233-K236 HydrophobicContact CB-CG 4.41Å; D233-K236 WeakPolarHBondContact O-CB 3.16Å; D233-K236 PolarHBondContact O-N 3.25Å; D233-K236 VanDerWaalsContact OD2-CE 3.25Å; D233-K236 WeakPolarHBondContact OD2-CE 3.45Å; D233-K236 IonicContact OD2-NZ 3.2Å; D233-K236 PolarHBondContact OD2-NZ 3.3Å
234	T	96.5	Very high	96.8	Very high	4 Å²	4	22.5 Å²	22.5	3%	0.025	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-73.7	-13.8	-175.7	55.3	0	0	0	0	113.2	H213 Y229 H232 K236 W237	H213-T234 HydrophobicContact CB-CG2 3.73Å; Y229-T234 HydrophobicContact CD1-CG2 3.46Å; Y229-T234 VanDerWaalsContact CD1-CG2 3.46Å; Y229-T234 HydrophobicContact CE1-CG2 3.75Å; H232-T234 PolarHBondContact O-N 3.06Å; T234-K236 PolarHBondContact O-N 3.25Å; T234-K236 VanDerWaalsContact O-N 3.17Å; T234-W237 HydrophobicContact CG2-CD2 4.23Å; T234-W237 HydrophobicContact CG2-CZ2 4.22Å; T234-W237 WeakPolarHBondContact O-CB 3.49Å; T234-W237 PolarHBondContact O-N 3.33Å
235	S	95.5	Very high	97.2	Very high	28 Å²	28	19.1 Å²	19.1	20%	0.196	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-63.5	-20.5	170.4	75.8	0	0	0	0	112.4	D233	D233-S235 PolarHBondContact O-N 3.18Å; D233-S235 WeakPolarHBondContact OD1-CB 3.23Å; D233-S235 PolarHBondContact OD1-N 3.15Å; D233-S235 PolarHBondContact OD1-OG 3.07Å; D233-S235 PolarHBondContact OD2-OG 3.48Å
236	K	95.2	Very high	97.5	Very high	94 Å²	94	16.6 Å²	16.6	41%	0.409	8%	0.083	S	C	.	.	G	3₁₀ helix	trans	-90.1	0.5	176.1	-61.6	179.6	177.5	119.4	0	112.9	D233 T234 R238 D295	D233-K236 HydrophobicContact CB-CD 4.22Å; D233-K236 HydrophobicContact CB-CG 4.41Å; D233-K236 WeakPolarHBondContact O-CB 3.16Å; D233-K236 PolarHBondContact O-N 3.25Å; D233-K236 VanDerWaalsContact OD2-CE 3.25Å; D233-K236 WeakPolarHBondContact OD2-CE 3.45Å; D233-K236 IonicContact OD2-NZ 3.2Å; D233-K236 PolarHBondContact OD2-NZ 3.3Å; T234-K236 PolarHBondContact O-N 3.25Å; T234-K236 VanDerWaalsContact O-N 3.17Å; K236-R238 PolarHBondContact O-NH1 2.99Å; K236-D295 WeakPolarHBondContact O-CB 3.31Å
237	W	97.9	Very high	97.6	Very high	8 Å²	8	16.6 Å²	16.6	3%	0.03	8%	0.083	C	C	.	.			trans	-74.1	147.9	-178.4	-75.9	21.8	0	0	0	112.3	D158 H213 Y229 T234 M240 C294 D295 D299	D158-W237 HydrophobicContact CB-CZ3 4.27Å; H213-W237 AromaticContact CD2-CH2 3.97Å; H213-W237 AromaticContact CD2-CZ3 3.9Å; Y229-W237 HydrophobicContact CE1-CH2 4.43Å; Y229-W237 AromaticContact CE1-CZ2 3.95Å; Y229-W237 HydrophobicContact CE1-CZ2 3.95Å; T234-W237 HydrophobicContact CG2-CD2 4.23Å; T234-W237 HydrophobicContact CG2-CZ2 4.22Å; T234-W237 WeakPolarHBondContact O-CB 3.49Å; T234-W237 PolarHBondContact O-N 3.33Å; W237-M240 HydrophobicContact CB-CG 4.19Å; W237-M240 HydrophobicContact CE3-CG 3.77Å; W237-M240 HydrophobicContact CE3-SD 3.85Å; W237-M240 HydrophobicContact CZ3-SD 4.38Å; W237-C294 PolarHBondContact NE1-O 2.9Å; W237-D295 CarbonylContact C-O 3.54Å; W237-D295 WeakPolarHBondContact CA-O 3.37Å; W237-D299 HydrophobicContact CH2-CB 4.18Å; W237-D299 HydrophobicContact CZ2-CB 3.98Å
238	R	97.9	Very high	97.6	Very high	20 Å²	20	16.4 Å²	16.4	8%	0.075	8%	0.082	C	C	.	.	S	Bend	trans	-98.2	-15.5	-176.3	-64.6	-66.3	178.4	-81.3	-12.6	113.3	K236 L242 W280 I288 E289 D295 C310	K236-R238 PolarHBondContact O-NH1 2.99Å; R238-L242 WeakPolarHBondContact O-CD1 3.17Å; R238-L242 WeakPolarHBondContact O-CG 3.47Å; R238-W280 VanDerWaalsContact CZ-CD1 3.48Å; R238-I288 HydrophobicContact CB-CD1 4.41Å; R238-E289 WeakPolarHBondContact CD-O 3.33Å; R238-E289 PolarHBondContact NE-O 3.23Å; R238-D295 WeakPolarHBondContact CG-OD2 3.48Å; R238-D295 IonicContact CZ-OD2 2.74Å; R238-D295 PolarHBondContact N-O 3.28Å; R238-D295 IonicContact NE-OD2 3.77Å; R238-D295 IonicContact NH2-OD2 3.41Å; R238-C310 HydrophobicContact CB-CB 4.21Å
239	D	98.6	Very high	97.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-98.7	-37.1	-173.7	66.2	-22.3	0	0	0	113.2	N241 L242 K243 Q296 T297 Y309 L313	D239-N241 PolarHBondContact O-N 3.5Å; D239-L242 PolarHBondContact O-N 2.93Å; D239-L242 VanDerWaalsContact O-N 3.08Å; D239-K243 HydrophobicContact CB-CD 4.31Å; D239-K243 WeakPolarHBondContact O-CB 3.43Å; D239-K243 VanDerWaalsContact O-CG 3.29Å; D239-K243 WeakPolarHBondContact O-CG 3.28Å; D239-K243 PolarHBondContact O-N 3.11Å; D239-K243 WeakPolarHBondContact OD2-CE 3.07Å; D239-K243 IonicContact OD2-NZ 2.68Å; D239-K243 PolarHBondContact OD2-NZ 3.33Å; D239-Q296 HydrophobicContact CB-CB 4.01Å; D239-Q296 WeakPolarHBondContact OD1-CA 3.37Å; D239-T297 WeakPolarHBondContact OD2-CB 3.33Å; D239-T297 PolarHBondContact OD2-N 3.19Å; D239-Y309 HydrophobicContact CB-CE1 3.99Å; D239-L313 HydrophobicContact CB-CD1 3.67Å
240	M	97.8	Very high	97.8	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.015	8%	0.077	C	C	.	.	H	α-helix	trans	-60.7	-48.9	-169.1	-54.5	-156.5	-36	0	0	114.2	D158 I211 P212 H213 W237 L242 K243 F244	D158-M240 HydrophobicContact CB-CG 4.34Å; I211-M240 HydrophobicContact CB-CB 4.42Å; I211-M240 HydrophobicContact CB-CE 4.49Å; I211-M240 HydrophobicContact CG2-CE 4.48Å; I211-M240 WeakPolarHBondContact O-CE 3.39Å; P212-M240 VanDerWaalsContact C-CE 3.45Å; H213-M240 VanDerWaalsContact CA-SD 3.54Å; H213-M240 HydrophobicContact CB-CE 4.24Å; H213-M240 HydrophobicContact CB-SD 3.88Å; W237-M240 HydrophobicContact CB-CG 4.19Å; W237-M240 HydrophobicContact CE3-CG 3.77Å; W237-M240 HydrophobicContact CE3-SD 3.85Å; W237-M240 HydrophobicContact CZ3-SD 4.38Å; M240-L242 VanDerWaalsContact C-N 3.25Å; M240-L242 PolarHBondContact O-N 3.44Å; M240-K243 PolarHBondContact O-N 2.97Å; M240-F244 PolarHBondContact O-N 3.37Å
241	N	98.6	Very high	97.9	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-61.5	-36.9	176.7	-74.9	2.9	0	0	0	111.4	F209 C210 I211 D239 F244 V245 I272 W280	F209-N241 PolarHBondContact O-ND2 3.14Å; C210-N241 WeakPolarHBondContact CA-OD1 3.35Å; I211-N241 PolarHBondContact N-OD1 3.35Å; D239-N241 PolarHBondContact O-N 3.5Å; N241-F244 WeakPolarHBondContact O-CB 3.41Å; N241-F244 PolarHBondContact O-N 2.86Å; N241-V245 PolarHBondContact O-N 3Å; N241-V245 VanDerWaalsContact O-N 3.16Å; N241-I272 HydrophobicContact CB-CD1 4.09Å; N241-I272 HydrophobicContact CB-CG1 4.07Å; N241-I272 HydrophobicContact CB-CG2 3.73Å; N241-W280 HydrophobicContact CB-CH2 4.15Å
242	L	98.8	Very high	98	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-73.4	-39.8	-179.2	-53.2	-177.6	0	0	0	111.6	R238 D239 M240 F244 V245 L246 I272 W280 I288 L313 W314 A317	R238-L242 WeakPolarHBondContact O-CD1 3.17Å; R238-L242 WeakPolarHBondContact O-CG 3.47Å; D239-L242 PolarHBondContact O-N 2.93Å; D239-L242 VanDerWaalsContact O-N 3.08Å; M240-L242 VanDerWaalsContact C-N 3.25Å; M240-L242 PolarHBondContact O-N 3.44Å; L242-F244 PolarHBondContact O-N 3.39Å; L242-V245 PolarHBondContact O-N 2.89Å; L242-L246 WeakPolarHBondContact O-CD1 3.23Å; L242-L246 WeakPolarHBondContact O-CG 2.97Å; L242-L246 PolarHBondContact O-N 2.99Å; L242-I272 HydrophobicContact CD2-CG2 4.4Å; L242-W280 HydrophobicContact CD2-CZ3 4.3Å; L242-W280 HydrophobicContact CG-CZ3 4.38Å; L242-I288 HydrophobicContact CD1-CD1 3.59Å; L242-L313 HydrophobicContact CB-CB 3.98Å; L242-L313 HydrophobicContact CD1-CB 3.91Å; L242-W314 HydrophobicContact CD1-CB 4.06Å; L242-W314 HydrophobicContact CD1-CE3 4.43Å; L242-W314 HydrophobicContact CD2-CE3 3.68Å; L242-W314 HydrophobicContact CD2-CZ3 4.11Å; L242-A317 HydrophobicContact CD2-CB 4.1Å
243	K	98.9	Very high	98	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-57	-40.4	169.9	-74.3	176.4	172.8	168.6	0	110.3	Y157 D158 F161 D239 M240 L246 T247 Y309 L313	Y157-K243 HydrophobicContact CE1-CB 4.37Å; D158-K243 HydrophobicContact CB-CD 4.14Å; D158-K243 PolarHBondContact O-NZ 2.97Å; F161-K243 HydrophobicContact CB-CB 4.27Å; F161-K243 HydrophobicContact CB-CD 3.87Å; F161-K243 HydrophobicContact CB-CG 4.18Å; F161-K243 HydrophobicContact CD1-CD 4.21Å; F161-K243 HydrophobicContact CD1-CG 4.22Å; F161-K243 HydrophobicContact CD2-CB 3.56Å; F161-K243 HydrophobicContact CD2-CD 4.18Å; F161-K243 HydrophobicContact CD2-CG 3.54Å; F161-K243 HydrophobicContact CE1-CG 4.49Å; F161-K243 HydrophobicContact CE2-CB 4.08Å; F161-K243 HydrophobicContact CE2-CG 3.84Å; F161-K243 HydrophobicContact CG-CB 4.05Å; F161-K243 HydrophobicContact CG-CD 3.83Å; F161-K243 HydrophobicContact CG-CG 3.72Å; F161-K243 HydrophobicContact CZ-CG 4.29Å; D239-K243 HydrophobicContact CB-CD 4.31Å; D239-K243 WeakPolarHBondContact O-CB 3.43Å; D239-K243 VanDerWaalsContact O-CG 3.29Å; D239-K243 WeakPolarHBondContact O-CG 3.28Å; D239-K243 PolarHBondContact O-N 3.11Å; D239-K243 WeakPolarHBondContact OD2-CE 3.07Å; D239-K243 IonicContact OD2-NZ 2.68Å; D239-K243 PolarHBondContact OD2-NZ 3.33Å; M240-K243 PolarHBondContact O-N 2.97Å; K243-L246 PolarHBondContact O-N 3.13Å; K243-T247 WeakPolarHBondContact O-CB 3.19Å; K243-T247 PolarHBondContact O-N 2.98Å; K243-T247 PolarHBondContact O-OG1 3.32Å; K243-Y309 WeakPolarHBondContact CE-OH 3.48Å; K243-Y309 PolarHBondContact NZ-OH 3.35Å; K243-L313 HydrophobicContact CG-CD1 4.48Å; K243-L313 HydrophobicContact CG-CD2 4.34Å
244	F	98.9	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.7	-47.7	175	174.6	-88.8	0	0	0	113	Y157 Q179 F182 R183 I211 M240 N241 L242 L246 T247 C248 T268 I272	Y157-F244 HydrophobicContact CE1-CB 3.78Å; Y157-F244 HydrophobicContact CE1-CD2 4.47Å; Y157-F244 AromaticContact CZ-CD2 3.92Å; Y157-F244 VanDerWaalsContact OH-CA 3.31Å; Y157-F244 WeakPolarHBondContact OH-CA 3.39Å; Y157-F244 WeakPolarHBondContact OH-CD2 3.32Å; Q179-F244 VanDerWaalsContact NE2-CD2 3.27Å; F182-F244 HydrophobicContact CB-CD2 4.41Å; F182-F244 HydrophobicContact CB-CE2 4.34Å; R183-F244 HydrophobicContact CB-CE2 3.97Å; R183-F244 HydrophobicContact CB-CZ 3.67Å; R183-F244 HydrophobicContact CG-CZ 4.06Å; I211-F244 HydrophobicContact CD1-CB 4.01Å; I211-F244 HydrophobicContact CD1-CD1 4.24Å; I211-F244 HydrophobicContact CD1-CD2 3.47Å; I211-F244 VanDerWaalsContact CD1-CD2 3.47Å; I211-F244 HydrophobicContact CD1-CE2 3.97Å; I211-F244 HydrophobicContact CD1-CG 3.63Å; I211-F244 HydrophobicContact CG1-CB 3.71Å; I211-F244 HydrophobicContact CG1-CD2 4.16Å; I211-F244 HydrophobicContact CG1-CG 3.91Å; M240-F244 PolarHBondContact O-N 3.37Å; N241-F244 WeakPolarHBondContact O-CB 3.41Å; N241-F244 PolarHBondContact O-N 2.86Å; L242-F244 PolarHBondContact O-N 3.39Å; F244-L246 VanDerWaalsContact C-N 3.32Å; F244-L246 PolarHBondContact O-N 3.26Å; F244-T247 PolarHBondContact O-N 2.7Å; F244-C248 VanDerWaalsContact CE1-SG 3.53Å; F244-C248 WeakPolarHBondContact CZ-SG 3.47Å; F244-C248 WeakPolarHBondContact O-CB 3.19Å; F244-C248 PolarHBondContact O-N 3Å; F244-C248 PolarHBondContact O-SG 3.27Å; F244-T268 HydrophobicContact CE1-CG2 3.84Å; F244-T268 HydrophobicContact CZ-CG2 4.33Å; F244-I272 HydrophobicContact CD1-CD1 3.61Å; F244-I272 HydrophobicContact CE1-CD1 4.21Å; F244-I272 HydrophobicContact CG-CD1 4.46Å
245	V	98.9	Very high	98.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.1	-46.7	176.3	175.9	0	0	0	0	111.4	N241 L242 C248 Y249 I269 I272 A317 V320	N241-V245 PolarHBondContact O-N 3Å; N241-V245 VanDerWaalsContact O-N 3.16Å; L242-V245 PolarHBondContact O-N 2.89Å; V245-C248 PolarHBondContact O-N 2.96Å; V245-Y249 PolarHBondContact O-N 3.08Å; V245-I269 HydrophobicContact CG1-CG1 4.37Å; V245-I269 HydrophobicContact CG1-CG2 3.76Å; V245-I269 HydrophobicContact CG2-CB 4.39Å; V245-I269 HydrophobicContact CG2-CG1 4.23Å; V245-I269 HydrophobicContact CG2-CG2 4.11Å; V245-I272 HydrophobicContact CG2-CB 4.26Å; V245-I272 HydrophobicContact CG2-CD1 4.17Å; V245-I272 HydrophobicContact CG2-CG2 3.78Å; V245-A317 HydrophobicContact CB-CB 4Å; V245-A317 HydrophobicContact CG1-CB 3.8Å; V245-A317 HydrophobicContact CG2-CB 4.46Å; V245-V320 HydrophobicContact CG1-CB 3.8Å; V245-V320 HydrophobicContact CG1-CG1 3.6Å; V245-V320 HydrophobicContact CG1-CG2 4.47Å
246	L	98.9	Very high	98.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-63.9	-45.1	179.7	-72.1	158	0	0	0	112.5	F161 L242 K243 F244 Y249 R250 L313 V320 Y380 V381	F161-L246 HydrophobicContact CE2-CB 3.98Å; F161-L246 HydrophobicContact CE2-CD1 4.09Å; F161-L246 HydrophobicContact CZ-CD1 4.37Å; L242-L246 WeakPolarHBondContact O-CD1 3.23Å; L242-L246 WeakPolarHBondContact O-CG 2.97Å; L242-L246 PolarHBondContact O-N 2.99Å; K243-L246 PolarHBondContact O-N 3.13Å; F244-L246 VanDerWaalsContact C-N 3.32Å; F244-L246 PolarHBondContact O-N 3.26Å; L246-Y249 PolarHBondContact O-N 3.07Å; L246-R250 PolarHBondContact O-N 3.31Å; L246-L313 HydrophobicContact CD1-CB 4.37Å; L246-L313 HydrophobicContact CD1-CD2 3.45Å; L246-L313 VanDerWaalsContact CD1-CD2 3.45Å; L246-V320 HydrophobicContact CD2-CG2 4.33Å; L246-Y380 HydrophobicContact CB-CD1 3.86Å; L246-Y380 HydrophobicContact CB-CE1 4.11Å; L246-Y380 HydrophobicContact CB-CG 4.49Å; L246-Y380 HydrophobicContact CD2-CD1 4.4Å; L246-V381 HydrophobicContact CD2-CG2 3.33Å
247	T	98.9	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-43.5	178	-62.5	0	0	0	0	111.5	K243 F244 Y249 R250 D251 Y380	K243-T247 WeakPolarHBondContact O-CB 3.19Å; K243-T247 PolarHBondContact O-N 2.98Å; K243-T247 PolarHBondContact O-OG1 3.32Å; F244-T247 PolarHBondContact O-N 2.7Å; T247-Y249 VanDerWaalsContact C-N 3.27Å; T247-Y249 PolarHBondContact O-N 3Å; T247-R250 WeakPolarHBondContact O-CB 3.33Å; T247-R250 PolarHBondContact O-N 3.29Å; T247-D251 WeakPolarHBondContact CG2-OD2 3.37Å; T247-D251 PolarHBondContact O-N 3.2Å; T247-Y380 PolarHBondContact OG1-OH 3.07Å
248	C	98.9	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-53.3	-43.4	174.6	-76	0	0	0	0	112.5	Q179 F244 V245 D251 Y252 F261 V265 I269	Q179-C248 PolarHBondContact NE2-SG 3.39Å; F244-C248 VanDerWaalsContact CE1-SG 3.53Å; F244-C248 WeakPolarHBondContact CZ-SG 3.47Å; F244-C248 WeakPolarHBondContact O-CB 3.19Å; F244-C248 PolarHBondContact O-N 3Å; F244-C248 PolarHBondContact O-SG 3.27Å; V245-C248 PolarHBondContact O-N 2.96Å; C248-D251 PolarHBondContact O-N 3.25Å; C248-Y252 PolarHBondContact O-N 2.84Å; C248-F261 WeakPolarHBondContact O-CE1 3.48Å; C248-V265 HydrophobicContact CB-CB 4.5Å; C248-V265 HydrophobicContact CB-CG2 4Å; C248-I269 HydrophobicContact CB-CD1 3.99Å
249	Y	98.8	Very high	98.3	Very high	16 Å²	16	21.8 Å²	21.8	6%	0.063	12%	0.117	C	C	.	.	H	α-helix	trans	-70	-36.3	179	-165.3	-94.7	0	0	0	112.9	V245 L246 T247 D251 Y252 I253 V320 K323 V324 I327 C384 I386	V245-Y249 PolarHBondContact O-N 3.08Å; L246-Y249 PolarHBondContact O-N 3.07Å; T247-Y249 VanDerWaalsContact C-N 3.27Å; T247-Y249 PolarHBondContact O-N 3Å; Y249-D251 VanDerWaalsContact C-N 3.31Å; Y249-Y252 HydrophobicContact CE2-CD1 4.25Å; Y249-I253 HydrophobicContact CD1-CD1 4.01Å; Y249-I253 HydrophobicContact CE1-CD1 3.75Å; Y249-I253 HydrophobicContact CE1-CG1 4.37Å; Y249-I253 PolarHBondContact O-N 3.29Å; Y249-V320 HydrophobicContact CD2-CG1 4.06Å; Y249-V320 HydrophobicContact CG-CG1 4.18Å; Y249-V320 HydrophobicContact CG-CG2 4.06Å; Y249-K323 HydrophobicContact CE2-CB 4.14Å; Y249-K323 HydrophobicContact CE2-CG 4.26Å; Y249-K323 WeakPolarHBondContact OH-CG 3.14Å; Y249-V324 HydrophobicContact CD2-CG2 3.99Å; Y249-V324 HydrophobicContact CE2-CG2 4.3Å; Y249-I327 HydrophobicContact CE2-CD1 3.99Å; Y249-C384 HydrophobicContact CD1-CB 3.88Å; Y249-C384 HydrophobicContact CE1-CB 4.2Å; Y249-I386 HydrophobicContact CD1-CD1 3.47Å; Y249-I386 VanDerWaalsContact CD1-CD1 3.47Å; Y249-I386 HydrophobicContact CD1-CG1 4.05Å; Y249-I386 HydrophobicContact CE1-CB 4.36Å; Y249-I386 HydrophobicContact CE1-CD1 3.36Å; Y249-I386 HydrophobicContact CE1-CG1 3.66Å; Y249-I386 HydrophobicContact CE1-CG2 3.77Å; Y249-I386 HydrophobicContact CE2-CD1 4.48Å; Y249-I386 HydrophobicContact CG-CD1 4.09Å; Y249-I386 WeakPolarHBondContact OH-CG2 3.39Å
250	R	98.5	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.8	-42.8	173	-177	-153	63.3	-163.5	4.3	110.8	S164 F165 E175 L246 T247 I253 A254 Y380 W506	S164-R250 VanDerWaalsContact C-NH1 3.31Å; S164-R250 PolarHBondContact OG-NH1 3.31Å; S164-R250 PolarHBondContact OG-NH2 2.97Å; S164-R250 VanDerWaalsContact OG-NH2 3.13Å; F165-R250 HydrophobicContact CE1-CG 4.3Å; E175-R250 IonicContact OE1-CZ 3.31Å; E175-R250 IonicContact OE1-NH2 3.83Å; E175-R250 PolarHBondContact OE1-NH2 3.41Å; L246-R250 PolarHBondContact O-N 3.31Å; T247-R250 WeakPolarHBondContact O-CB 3.33Å; T247-R250 PolarHBondContact O-N 3.29Å; R250-I253 WeakPolarHBondContact O-CB 3.22Å; R250-I253 PolarHBondContact O-N 3.07Å; R250-I253 VanDerWaalsContact O-N 3.13Å; R250-A254 PolarHBondContact O-N 3.41Å; R250-Y380 HydrophobicContact CB-CE1 4.01Å; R250-Y380 PolarHBondContact NH1-OH 2.82Å; R250-W506 HydrophobicContact CG-CH2 3.85Å; R250-W506 HydrophobicContact CG-CZ2 3.5Å
251	D	98.7	Very high	98.3	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.011	13%	0.132	C	C	.	.	H	α-helix	trans	-72.1	-34.4	-176	-67.6	-13.2	0	0	0	112.5	E175 Q179 T247 C248 Y249 I253 A254 L255 F261	E175-D251 WeakPolarHBondContact CG-OD1 3.43Å; E175-D251 WeakPolarHBondContact CG-OD2 3.41Å; Q179-D251 WeakPolarHBondContact CG-OD2 2.91Å; T247-D251 WeakPolarHBondContact CG2-OD2 3.37Å; T247-D251 PolarHBondContact O-N 3.2Å; C248-D251 PolarHBondContact O-N 3.25Å; Y249-D251 VanDerWaalsContact C-N 3.31Å; D251-I253 PolarHBondContact O-N 3.28Å; D251-A254 PolarHBondContact O-N 3.02Å; D251-A254 VanDerWaalsContact O-N 3.13Å; D251-L255 VanDerWaalsContact O-CB 3.28Å; D251-L255 WeakPolarHBondContact O-CB 3.47Å; D251-L255 VanDerWaalsContact O-CG 3.23Å; D251-L255 WeakPolarHBondContact O-CG 3.41Å; D251-L255 PolarHBondContact O-N 3.26Å; D251-F261 HydrophobicContact CB-CE1 3.71Å; D251-F261 HydrophobicContact CB-CZ 3.98Å
252	Y	98.6	Very high	98.3	Very high	21 Å²	21	23 Å²	23	8%	0.082	13%	0.131	C	C	.	.	H	α-helix	trans	-50.8	-47.4	166	162.4	-105.9	0	0	0	111.4	C248 Y249 N257 D258 L259 L262 I327	C248-Y252 PolarHBondContact O-N 2.84Å; Y249-Y252 HydrophobicContact CE2-CD1 4.25Å; Y252-N257 HydrophobicContact CE1-CB 4.25Å; Y252-N257 HydrophobicContact CE2-CB 3.84Å; Y252-N257 WeakPolarHBondContact CE2-O 3.35Å; Y252-N257 WeakPolarHBondContact O-CA 3.11Å; Y252-N257 PolarHBondContact O-N 2.79Å; Y252-D258 WeakPolarHBondContact CD2-O 3.04Å; Y252-D258 PolarHBondContact O-N 3.16Å; Y252-L259 HydrophobicContact CE2-CD2 4.1Å; Y252-L262 HydrophobicContact CD2-CB 3.89Å; Y252-L262 HydrophobicContact CD2-CD2 3.92Å; Y252-L262 HydrophobicContact CD2-CG 4.33Å; Y252-L262 HydrophobicContact CE2-CB 4.39Å; Y252-L262 HydrophobicContact CE2-CD2 3.94Å; Y252-L262 HydrophobicContact CG-CD1 4.33Å; Y252-L262 HydrophobicContact CG-CD2 4.21Å; Y252-I327 HydrophobicContact CE1-CD1 3.88Å
253	I	97.4	Very high	98.3	Very high	21 Å²	21	28.6 Å²	28.6	11%	0.108	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-43.6	176.8	-60.5	164.9	0	0	0	111.2	Y249 R250 D251 L255 D256 C384 W506	Y249-I253 HydrophobicContact CD1-CD1 4.01Å; Y249-I253 HydrophobicContact CE1-CD1 3.75Å; Y249-I253 HydrophobicContact CE1-CG1 4.37Å; Y249-I253 PolarHBondContact O-N 3.29Å; R250-I253 WeakPolarHBondContact O-CB 3.22Å; R250-I253 PolarHBondContact O-N 3.07Å; R250-I253 VanDerWaalsContact O-N 3.13Å; D251-I253 PolarHBondContact O-N 3.28Å; I253-L255 PolarHBondContact O-N 3.47Å; I253-D256 PolarHBondContact O-N 3.03Å; I253-D256 VanDerWaalsContact O-N 3.16Å; I253-C384 HydrophobicContact CD1-CB 3.97Å; I253-C384 WeakPolarHBondContact CD1-O 3.34Å; I253-W506 HydrophobicContact CG2-CH2 4.37Å; I253-W506 HydrophobicContact CG2-CZ2 4.49Å
254	A	97.3	Very high	98.3	Very high	24 Å²	24	29.7 Å²	29.7	20%	0.198	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-27.7	-178.3	0	0	0	0	0	113.1	A168 R250 D251 D256 W506	A168-A254 HydrophobicContact CB-CB 3.87Å; R250-A254 PolarHBondContact O-N 3.41Å; D251-A254 PolarHBondContact O-N 3.02Å; D251-A254 VanDerWaalsContact O-N 3.13Å; A254-D256 PolarHBondContact O-N 2.86Å; A254-W506 HydrophobicContact CB-CH2 4.05Å; A254-W506 HydrophobicContact CB-CZ3 4.26Å
255	L	97.8	Very high	98.3	Very high	18 Å²	18	29.7 Å²	29.7	9%	0.094	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	24.7	175.5	-64.2	167.2	0	0	0	112.6	P172 H176 D251 I253 D258 F261	P172-L255 HydrophobicContact CB-CD2 4.06Å; H176-L255 HydrophobicContact CB-CD1 3.87Å; H176-L255 HydrophobicContact CB-CD2 3.86Å; H176-L255 HydrophobicContact CB-CG 4.45Å; D251-L255 VanDerWaalsContact O-CB 3.28Å; D251-L255 WeakPolarHBondContact O-CB 3.47Å; D251-L255 VanDerWaalsContact O-CG 3.23Å; D251-L255 WeakPolarHBondContact O-CG 3.41Å; D251-L255 PolarHBondContact O-N 3.26Å; I253-L255 PolarHBondContact O-N 3.47Å; L255-D258 HydrophobicContact CB-CB 3.77Å; L255-D258 WeakPolarHBondContact O-CB 3.41Å; L255-D258 PolarHBondContact O-N 3.1Å; L255-F261 HydrophobicContact CD1-CB 4.26Å; L255-F261 HydrophobicContact CD1-CD1 4Å; L255-F261 HydrophobicContact CD1-CD2 4.46Å; L255-F261 HydrophobicContact CD1-CE1 4.5Å; L255-F261 HydrophobicContact CD1-CG 3.97Å
256	D	96.2	Very high	98.3	Very high	140 Å²	140	30.4 Å²	30.4	75%	0.749	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	46	178.7	-164.1	30.5	0	0	0	113.1	I253 A254	I253-D256 PolarHBondContact O-N 3.03Å; I253-D256 VanDerWaalsContact O-N 3.16Å; A254-D256 PolarHBondContact O-N 2.86Å
257	N	97	Very high	98.2	Very high	73 Å²	73	33.4 Å²	33.4	39%	0.39	18%	0.184	S	C	.	.	S	Bend	trans	60.3	43.2	-179.8	-53.5	-62.5	0	0	0	112.9	Y252 L259	Y252-N257 HydrophobicContact CE1-CB 4.25Å; Y252-N257 HydrophobicContact CE2-CB 3.84Å; Y252-N257 WeakPolarHBondContact CE2-O 3.35Å; Y252-N257 WeakPolarHBondContact O-CA 3.11Å; Y252-N257 PolarHBondContact O-N 2.79Å; N257-L259 PolarHBondContact O-N 3.47Å
258	D	97.9	Very high	98.2	Very high	55 Å²	55	33.4 Å²	33.4	29%	0.294	18%	0.184	S	C	.	.			trans	-64.5	100.9	-178.9	-172.6	-18.9	0	0	0	112.3	Y252 L255 G260 F261 L262	Y252-D258 WeakPolarHBondContact CD2-O 3.04Å; Y252-D258 PolarHBondContact O-N 3.16Å; L255-D258 HydrophobicContact CB-CB 3.77Å; L255-D258 WeakPolarHBondContact O-CB 3.41Å; L255-D258 PolarHBondContact O-N 3.1Å; D258-G260 VanDerWaalsContact C-N 3.3Å; D258-G260 PolarHBondContact O-N 3.34Å; D258-G260 WeakPolarHBondContact OD1-CA 3.42Å; D258-G260 PolarHBondContact OD1-N 3.44Å; D258-F261 HydrophobicContact CB-CB 4.08Å; D258-F261 PolarHBondContact O-N 2.97Å; D258-F261 PolarHBondContact OD1-N 3.35Å; D258-F261 VanDerWaalsContact OD1-N 3.07Å; D258-L262 PolarHBondContact O-N 3.41Å; D258-L262 VanDerWaalsContact O-N 3.12Å
259	L	98.5	Very high	98.2	Very high	80 Å²	80	33.4 Å²	33.4	42%	0.419	18%	0.184	S	C	.	.	H	α-helix	trans	-63.8	-32.6	176.9	-65.8	176.7	0	0	0	112.7	Y252 N257 F261 L262 E263 I327 F328	Y252-L259 HydrophobicContact CE2-CD2 4.1Å; N257-L259 PolarHBondContact O-N 3.47Å; L259-F261 VanDerWaalsContact C-N 3.34Å; L259-L262 PolarHBondContact O-N 3.35Å; L259-E263 WeakPolarHBondContact O-CB 3.35Å; L259-E263 VanDerWaalsContact O-CG 3.26Å; L259-E263 WeakPolarHBondContact O-CG 3.41Å; L259-E263 PolarHBondContact O-N 3.17Å; L259-I327 HydrophobicContact CD2-CG2 3.57Å; L259-F328 HydrophobicContact CD2-CE1 4.34Å
260	G	98.4	Very high	98.2	Very high	32 Å²	32	35 Å²	35	33%	0.33	19%	0.192	S	C	.	.	H	α-helix	trans	-66.2	-39.1	179	0	0	0	0	0	111.7	D258 H264	D258-G260 VanDerWaalsContact C-N 3.3Å; D258-G260 PolarHBondContact O-N 3.34Å; D258-G260 WeakPolarHBondContact OD1-CA 3.42Å; D258-G260 PolarHBondContact OD1-N 3.44Å; G260-H264 WeakPolarHBondContact O-CB 3.33Å; G260-H264 PolarHBondContact O-N 2.85Å; G260-H264 VanDerWaalsContact O-N 3.14Å
261	F	98.7	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-46.4	170	172.5	-110.8	0	0	0	112.1	Y132 H176 Q179 C248 D251 L255 D258 L259 E263 H264 V265	Y132-F261 HydrophobicContact CE1-CD2 4.39Å; Y132-F261 WeakPolarHBondContact OH-CA 3.48Å; Y132-F261 VanDerWaalsContact OH-CB 3.26Å; Y132-F261 WeakPolarHBondContact OH-CB 3.41Å; Y132-F261 PolarHBondContact OH-N 3.36Å; H176-F261 AromaticContact CD2-CD2 3.75Å; H176-F261 AromaticContact NE2-CD2 3.78Å; Q179-F261 HydrophobicContact CB-CE2 4.35Å; Q179-F261 HydrophobicContact CB-CZ 4.33Å; Q179-F261 HydrophobicContact CG-CE2 4.1Å; Q179-F261 HydrophobicContact CG-CZ 3.72Å; C248-F261 WeakPolarHBondContact O-CE1 3.48Å; D251-F261 HydrophobicContact CB-CE1 3.71Å; D251-F261 HydrophobicContact CB-CZ 3.98Å; L255-F261 HydrophobicContact CD1-CB 4.26Å; L255-F261 HydrophobicContact CD1-CD1 4Å; L255-F261 HydrophobicContact CD1-CD2 4.46Å; L255-F261 HydrophobicContact CD1-CE1 4.5Å; L255-F261 HydrophobicContact CD1-CG 3.97Å; D258-F261 HydrophobicContact CB-CB 4.08Å; D258-F261 PolarHBondContact O-N 2.97Å; D258-F261 PolarHBondContact OD1-N 3.35Å; D258-F261 VanDerWaalsContact OD1-N 3.07Å; L259-F261 VanDerWaalsContact C-N 3.34Å; F261-E263 VanDerWaalsContact C-N 3.34Å; F261-E263 PolarHBondContact O-N 3.48Å; F261-H264 WeakPolarHBondContact O-CB 3.45Å; F261-H264 PolarHBondContact O-N 3.21Å; F261-H264 VanDerWaalsContact O-N 3.13Å; F261-V265 HydrophobicContact CD2-CG1 4.08Å; F261-V265 HydrophobicContact CE2-CG1 3.51Å; F261-V265 HydrophobicContact CZ-CG1 3.79Å; F261-V265 HydrophobicContact CZ-CG2 4.46Å; F261-V265 WeakPolarHBondContact O-CG2 3.17Å; F261-V265 PolarHBondContact O-N 2.76Å; F261-V265 VanDerWaalsContact O-N 3.14Å
262	L	98.7	Very high	98.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-39.7	-178.6	-164.5	62.2	0	0	0	112.3	Y252 D258 L259 H264 V265 W266 V324 I327 F328	Y252-L262 HydrophobicContact CD2-CB 3.89Å; Y252-L262 HydrophobicContact CD2-CD2 3.92Å; Y252-L262 HydrophobicContact CD2-CG 4.33Å; Y252-L262 HydrophobicContact CE2-CB 4.39Å; Y252-L262 HydrophobicContact CE2-CD2 3.94Å; Y252-L262 HydrophobicContact CG-CD1 4.33Å; Y252-L262 HydrophobicContact CG-CD2 4.21Å; D258-L262 PolarHBondContact O-N 3.41Å; D258-L262 VanDerWaalsContact O-N 3.12Å; L259-L262 PolarHBondContact O-N 3.35Å; L262-H264 VanDerWaalsContact C-N 3.3Å; L262-H264 PolarHBondContact O-N 2.57Å; L262-V265 HydrophobicContact CD1-CG2 4.28Å; L262-V265 WeakPolarHBondContact O-CG2 3.47Å; L262-V265 PolarHBondContact O-N 2.95Å; L262-W266 VanDerWaalsContact O-CB 3.26Å; L262-W266 WeakPolarHBondContact O-CB 3.06Å; L262-W266 PolarHBondContact O-N 2.97Å; L262-V324 HydrophobicContact CD1-CG1 4.26Å; L262-V324 HydrophobicContact CD1-CG2 3.78Å; L262-V324 HydrophobicContact CD2-CG1 4.05Å; L262-V324 HydrophobicContact CD2-CG2 4.15Å; L262-V324 HydrophobicContact CG-CG1 4Å; L262-V324 HydrophobicContact CG-CG2 4.27Å; L262-I327 HydrophobicContact CD2-CB 4.48Å; L262-I327 HydrophobicContact CD2-CD1 3.92Å; L262-I327 HydrophobicContact CD2-CG2 4.05Å; L262-F328 HydrophobicContact CB-CE2 4.37Å; L262-F328 HydrophobicContact CB-CZ 3.96Å; L262-F328 HydrophobicContact CD2-CE2 3.98Å; L262-F328 HydrophobicContact CD2-CZ 4.05Å; L262-F328 HydrophobicContact CG-CE2 3.85Å; L262-F328 HydrophobicContact CG-CZ 3.94Å
263	E	98.5	Very high	98.2	Very high	117 Å²	117	37.1 Å²	37.1	55%	0.547	20%	0.203	S	C	.	.	H	α-helix	trans	-60.8	-39.7	173.7	-76.4	177.4	-178.7	0	0	111.5	L259 F261 P267 F328	L259-E263 WeakPolarHBondContact O-CB 3.35Å; L259-E263 VanDerWaalsContact O-CG 3.26Å; L259-E263 WeakPolarHBondContact O-CG 3.41Å; L259-E263 PolarHBondContact O-N 3.17Å; F261-E263 VanDerWaalsContact C-N 3.34Å; F261-E263 PolarHBondContact O-N 3.48Å; E263-P267 WeakPolarHBondContact O-CD 3.26Å; E263-F328 HydrophobicContact CB-CZ 4.23Å; E263-F328 HydrophobicContact CG-CD1 4.44Å; E263-F328 HydrophobicContact CG-CE1 3.39Å; E263-F328 HydrophobicContact CG-CE2 4.45Å; E263-F328 HydrophobicContact CG-CZ 3.41Å; E263-F328 VanDerWaalsContact CG-CZ 3.41Å
264	H	98.5	Very high	98.3	Very high	24 Å²	24	39.8 Å²	39.8	11%	0.111	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-40.1	-179.5	177.2	65.3	0	0	0	113.2	S130 Y132 R183 G260 F261 L262	S130-H264 PolarHBondContact OG-CE1 2.52Å; S130-H264 VanDerWaalsContact OG-CE1 3.3Å; Y132-H264 HydrophobicContact CD1-CB 4.11Å; Y132-H264 AromaticContact CD1-CD2 3.22Å; Y132-H264 WeakPolarHBondContact CD1-CD2 3.41Å; Y132-H264 AromaticContact CD1-CE1 3.76Å; Y132-H264 AromaticContact CD1-CG 3.42Å; Y132-H264 VanDerWaalsContact CD1-CG 3.42Å; Y132-H264 AromaticContact CD1-ND1 3.75Å; Y132-H264 AromaticContact CD1-NE2 3.46Å; Y132-H264 WeakPolarHBondContact CD1-NE2 3.46Å; Y132-H264 HydrophobicContact CD2-CB 4.07Å; Y132-H264 HydrophobicContact CE1-CB 4.08Å; Y132-H264 AromaticContact CE1-CD2 3.51Å; Y132-H264 AromaticContact CE1-CG 3.78Å; Y132-H264 HydrophobicContact CE2-CB 4.06Å; Y132-H264 HydrophobicContact CG-CB 4.1Å; Y132-H264 AromaticContact CG-CD2 3.85Å; Y132-H264 AromaticContact CG-CE1 3.83Å; Y132-H264 AromaticContact CG-CG 3.55Å; Y132-H264 AromaticContact CG-ND1 3.55Å; R183-H264 WeakPolarHBondContact CD-NE2 3.25Å; R183-H264 PolarHBondContact NE-CE1 3.06Å; R183-H264 PolarHBondContact NE-NE2 2.89Å; R183-H264 PolarHBondContact NE-O 3.18Å; R183-H264 PolarHBondContact NH2-O 3.4Å; G260-H264 WeakPolarHBondContact O-CB 3.33Å; G260-H264 PolarHBondContact O-N 2.85Å; G260-H264 VanDerWaalsContact O-N 3.14Å; F261-H264 WeakPolarHBondContact O-CB 3.45Å; F261-H264 PolarHBondContact O-N 3.21Å; F261-H264 VanDerWaalsContact O-N 3.13Å; L262-H264 VanDerWaalsContact C-N 3.3Å; L262-H264 PolarHBondContact O-N 2.57Å
265	V	98.7	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-88.8	-21.4	-177.4	-58.1	0	0	0	0	113.7	R183 C248 F261 L262 T268 I269	R183-V265 HydrophobicContact CB-CG1 4.48Å; R183-V265 HydrophobicContact CG-CG1 4.21Å; C248-V265 HydrophobicContact CB-CB 4.5Å; C248-V265 HydrophobicContact CB-CG2 4Å; F261-V265 HydrophobicContact CD2-CG1 4.08Å; F261-V265 HydrophobicContact CE2-CG1 3.51Å; F261-V265 HydrophobicContact CZ-CG1 3.79Å; F261-V265 HydrophobicContact CZ-CG2 4.46Å; F261-V265 WeakPolarHBondContact O-CG2 3.17Å; F261-V265 PolarHBondContact O-N 2.76Å; F261-V265 VanDerWaalsContact O-N 3.14Å; L262-V265 HydrophobicContact CD1-CG2 4.28Å; L262-V265 WeakPolarHBondContact O-CG2 3.47Å; L262-V265 PolarHBondContact O-N 2.95Å; V265-T268 WeakPolarHBondContact O-CB 3.48Å; V265-T268 PolarHBondContact O-N 2.89Å; V265-T268 VanDerWaalsContact O-N 3.08Å; V265-I269 HydrophobicContact CB-CD1 4.5Å; V265-I269 HydrophobicContact CG2-CD1 3.92Å; V265-I269 PolarHBondContact O-N 2.8Å
266	W	98.6	Very high	98.3	Very high	15 Å²	15	40.1 Å²	40.1	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-52.8	-46.7	-175.6	170.2	-117.4	0	0	0	114.8	L262 T268 I269 E270 A321 V324 C325 F328 Y330 K333 Y337	L262-W266 VanDerWaalsContact O-CB 3.26Å; L262-W266 WeakPolarHBondContact O-CB 3.06Å; L262-W266 PolarHBondContact O-N 2.97Å; W266-T268 PolarHBondContact O-N 3.42Å; W266-I269 HydrophobicContact CE3-CB 4.17Å; W266-I269 HydrophobicContact CE3-CG2 4.11Å; W266-I269 HydrophobicContact CZ3-CB 4.48Å; W266-I269 HydrophobicContact CZ3-CG2 3.95Å; W266-I269 WeakPolarHBondContact O-CB 3.27Å; W266-I269 PolarHBondContact O-N 3.5Å; W266-I269 VanDerWaalsContact O-N 3.14Å; W266-E270 HydrophobicContact CH2-CB 4.49Å; W266-E270 HydrophobicContact CZ2-CB 4.33Å; W266-E270 PolarHBondContact O-N 3.19Å; W266-A321 HydrophobicContact CH2-CB 4.23Å; W266-A321 HydrophobicContact CZ3-CB 4.02Å; W266-V324 HydrophobicContact CB-CG1 4.41Å; W266-V324 HydrophobicContact CD2-CG1 3.77Å; W266-V324 HydrophobicContact CE3-CB 3.84Å; W266-V324 HydrophobicContact CE3-CG1 3.29Å; W266-V324 HydrophobicContact CG-CG1 4.26Å; W266-V324 HydrophobicContact CZ3-CB 3.86Å; W266-V324 HydrophobicContact CZ3-CG1 3.81Å; W266-C325 WeakPolarHBondContact CH2-SG 3.4Å; W266-C325 WeakPolarHBondContact CZ2-SG 3.41Å; W266-F328 HydrophobicContact CB-CE2 4.39Å; W266-Y330 HydrophobicContact CZ2-CD2 4.48Å; W266-Y330 AromaticContact NE1-CE2 3.57Å; W266-K333 HydrophobicContact CZ2-CD 4.27Å; W266-Y337 HydrophobicContact CH2-CD2 4.38Å; W266-Y337 AromaticContact CH2-CE2 3.67Å; W266-Y337 HydrophobicContact CH2-CE2 3.67Å; W266-Y337 HydrophobicContact CZ2-CE2 4.21Å
267	P	98.5	Very high	98.4	Very high	63 Å²	63	34.7 Å²	34.7	41%	0.409	18%	0.182	S	C	.	.	H	α-helix	trans	-58	-37.8	178.5	-25.6	35.2	0	0	0	113.1	E263 E271	E263-P267 WeakPolarHBondContact O-CD 3.26Å; P267-E271 WeakPolarHBondContact O-CB 3.47Å; P267-E271 PolarHBondContact O-N 3.4Å
268	T	98.7	Very high	98.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.6	-38.7	178.6	-52.7	0	0	0	0	111.3	Y186 Y187 F244 V265 W266 E271 I272	Y186-T268 HydrophobicContact CD1-CG2 3.7Å; Y186-T268 HydrophobicContact CD2-CG2 4.19Å; Y186-T268 HydrophobicContact CE1-CG2 4.06Å; Y186-T268 HydrophobicContact CG-CG2 3.74Å; Y187-T268 PolarHBondContact OH-OG1 2.72Å; F244-T268 HydrophobicContact CE1-CG2 3.84Å; F244-T268 HydrophobicContact CZ-CG2 4.33Å; V265-T268 WeakPolarHBondContact O-CB 3.48Å; V265-T268 PolarHBondContact O-N 2.89Å; V265-T268 VanDerWaalsContact O-N 3.08Å; W266-T268 PolarHBondContact O-N 3.42Å; T268-E271 PolarHBondContact O-N 2.63Å; T268-I272 HydrophobicContact CG2-CD1 4.05Å; T268-I272 WeakPolarHBondContact O-CB 3.11Å; T268-I272 VanDerWaalsContact O-CG1 3.27Å; T268-I272 WeakPolarHBondContact O-CG1 3.44Å; T268-I272 PolarHBondContact O-N 2.76Å
269	I	98.8	Very high	98.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-49.3	173.9	-68.3	171.7	0	0	0	110.7	V245 C248 V265 W266 I272 I273 A321	V245-I269 HydrophobicContact CG1-CG1 4.37Å; V245-I269 HydrophobicContact CG1-CG2 3.76Å; V245-I269 HydrophobicContact CG2-CB 4.39Å; V245-I269 HydrophobicContact CG2-CG1 4.23Å; V245-I269 HydrophobicContact CG2-CG2 4.11Å; C248-I269 HydrophobicContact CB-CD1 3.99Å; V265-I269 HydrophobicContact CB-CD1 4.5Å; V265-I269 HydrophobicContact CG2-CD1 3.92Å; V265-I269 PolarHBondContact O-N 2.8Å; W266-I269 HydrophobicContact CE3-CB 4.17Å; W266-I269 HydrophobicContact CE3-CG2 4.11Å; W266-I269 HydrophobicContact CZ3-CB 4.48Å; W266-I269 HydrophobicContact CZ3-CG2 3.95Å; W266-I269 WeakPolarHBondContact O-CB 3.27Å; W266-I269 PolarHBondContact O-N 3.5Å; W266-I269 VanDerWaalsContact O-N 3.14Å; I269-I272 PolarHBondContact O-N 2.97Å; I269-I273 HydrophobicContact CG2-CD1 4.19Å; I269-I273 WeakPolarHBondContact O-CG1 3.5Å; I269-I273 PolarHBondContact O-N 3Å; I269-I273 VanDerWaalsContact O-N 3.17Å; I269-A321 HydrophobicContact CG2-CB 4.37Å
270	E	98.6	Very high	98.3	Very high	51 Å²	51	39.1 Å²	39.1	24%	0.238	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-46.9	178.7	172.1	158.7	-93.9	0	0	111.1	W266 I272 I273 Q274 K333 Y337	W266-E270 HydrophobicContact CH2-CB 4.49Å; W266-E270 HydrophobicContact CZ2-CB 4.33Å; W266-E270 PolarHBondContact O-N 3.19Å; E270-I272 VanDerWaalsContact C-N 3.35Å; E270-I272 PolarHBondContact O-N 3.25Å; E270-I273 PolarHBondContact O-N 2.7Å; E270-Q274 WeakPolarHBondContact O-CG 3.44Å; E270-Q274 PolarHBondContact O-N 2.7Å; E270-K333 WeakPolarHBondContact OE1-CD 3.39Å; E270-K333 WeakPolarHBondContact OE1-CE 2.99Å; E270-K333 IonicContact OE1-NZ 2.69Å; E270-K333 PolarHBondContact OE1-NZ 3.34Å; E270-K333 IonicContact OE2-NZ 3.83Å; E270-K333 PolarHBondContact OE2-NZ 2.64Å; E270-Y337 WeakPolarHBondContact CG-OH 3.41Å; E270-Y337 PolarHBondContact OE1-OH 2.89Å
271	E	98.5	Very high	98.3	Very high	67 Å²	67	38.3 Å²	38.3	31%	0.313	18%	0.179	S	C	.	.	H	α-helix	trans	-63.2	-39.1	179.5	-170.2	166.4	-120.5	0	0	112.9	Y186 Y187 F209 P267 T268 I273 Q274 F275	Y186-E271 HydrophobicContact CE1-CG 4.47Å; Y186-E271 VanDerWaalsContact CE1-OE2 3.32Å; Y186-E271 WeakPolarHBondContact CE1-OE2 3.39Å; Y187-E271 WeakPolarHBondContact CE1-OE2 3.37Å; Y187-E271 PolarHBondContact OH-OE2 2.87Å; F209-E271 HydrophobicContact CD1-CG 4.24Å; F209-E271 HydrophobicContact CE1-CG 4.4Å; F209-E271 WeakPolarHBondContact CE1-OE1 3.16Å; P267-E271 WeakPolarHBondContact O-CB 3.47Å; P267-E271 PolarHBondContact O-N 3.4Å; T268-E271 PolarHBondContact O-N 2.63Å; E271-I273 PolarHBondContact O-N 2.83Å; E271-Q274 PolarHBondContact O-N 3.45Å; E271-F275 VanDerWaalsContact O-CB 3.24Å; E271-F275 WeakPolarHBondContact O-CB 3.47Å; E271-F275 PolarHBondContact O-N 3.25Å
272	I	98.7	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-47.6	174.4	-79.7	168.1	0	0	0	111.1	Y186 N241 L242 F244 V245 T268 I269 E270 F275 A276	Y186-I272 HydrophobicContact CD2-CD1 4.26Å; Y186-I272 HydrophobicContact CD2-CG1 4.27Å; Y186-I272 HydrophobicContact CE2-CD1 3.93Å; Y186-I272 HydrophobicContact CE2-CG1 3.45Å; Y186-I272 VanDerWaalsContact CE2-CG1 3.45Å; N241-I272 HydrophobicContact CB-CD1 4.09Å; N241-I272 HydrophobicContact CB-CG1 4.07Å; N241-I272 HydrophobicContact CB-CG2 3.73Å; L242-I272 HydrophobicContact CD2-CG2 4.4Å; F244-I272 HydrophobicContact CD1-CD1 3.61Å; F244-I272 HydrophobicContact CE1-CD1 4.21Å; F244-I272 HydrophobicContact CG-CD1 4.46Å; V245-I272 HydrophobicContact CG2-CB 4.26Å; V245-I272 HydrophobicContact CG2-CD1 4.17Å; V245-I272 HydrophobicContact CG2-CG2 3.78Å; T268-I272 HydrophobicContact CG2-CD1 4.05Å; T268-I272 WeakPolarHBondContact O-CB 3.11Å; T268-I272 VanDerWaalsContact O-CG1 3.27Å; T268-I272 WeakPolarHBondContact O-CG1 3.44Å; T268-I272 PolarHBondContact O-N 2.76Å; I269-I272 PolarHBondContact O-N 2.97Å; E270-I272 VanDerWaalsContact C-N 3.35Å; E270-I272 PolarHBondContact O-N 3.25Å; I272-F275 PolarHBondContact O-N 3Å; I272-A276 VanDerWaalsContact O-CB 3.31Å; I272-A276 WeakPolarHBondContact O-CB 3.12Å; I272-A276 PolarHBondContact O-N 3.5Å
273	I	98.7	Very high	98.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-44.2	-177.9	-69	169.5	0	0	0	110.4	I269 E270 E271 F275 A276 L277 W314 L318 A321 Y337 L340	I269-I273 HydrophobicContact CG2-CD1 4.19Å; I269-I273 WeakPolarHBondContact O-CG1 3.5Å; I269-I273 PolarHBondContact O-N 3Å; I269-I273 VanDerWaalsContact O-N 3.17Å; E270-I273 PolarHBondContact O-N 2.7Å; E271-I273 PolarHBondContact O-N 2.83Å; I273-F275 PolarHBondContact O-N 3.38Å; I273-A276 PolarHBondContact O-N 3.11Å; I273-L277 HydrophobicContact CG2-CD1 4.49Å; I273-L277 PolarHBondContact O-N 2.79Å; I273-W314 HydrophobicContact CB-CH2 4.36Å; I273-W314 HydrophobicContact CB-CZ3 4.49Å; I273-W314 HydrophobicContact CG1-CZ3 4.38Å; I273-W314 HydrophobicContact CG2-CH2 3.72Å; I273-W314 HydrophobicContact CG2-CZ3 4.28Å; I273-L318 HydrophobicContact CD1-CD2 4.35Å; I273-L318 HydrophobicContact CG1-CD2 4.49Å; I273-L318 HydrophobicContact CG2-CD2 3.64Å; I273-A321 HydrophobicContact CD1-CB 3.29Å; I273-Y337 HydrophobicContact CB-CE1 4.46Å; I273-Y337 HydrophobicContact CD1-CE1 4.16Å; I273-Y337 HydrophobicContact CG2-CD1 4.48Å; I273-Y337 HydrophobicContact CG2-CE1 3.84Å; I273-L340 HydrophobicContact CG2-CD2 4.29Å
274	Q	98.2	Very high	98	Very high	77 Å²	77	52.6 Å²	52.6	36%	0.36	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-38.8	177.7	-64.1	-56.2	-42.1	0	0	112.2	E270 E271 K278 Y336	E270-Q274 WeakPolarHBondContact O-CG 3.44Å; E270-Q274 PolarHBondContact O-N 2.7Å; E271-Q274 PolarHBondContact O-N 3.45Å; Q274-K278 WeakPolarHBondContact O-CB 3.44Å; Q274-K278 PolarHBondContact O-N 2.88Å; Q274-K278 VanDerWaalsContact O-N 3.13Å; Q274-Y336 PolarHBondContact NE2-OH 3.48Å
275	F	97.9	Very high	97.9	Very high	48 Å²	48	52.4 Å²	52.4	21%	0.211	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-48.5	174.3	178.4	-88.4	0	0	0	111.2	F209 E271 I272 I273 K278 K279 W280	F209-F275 HydrophobicContact CB-CD2 3.84Å; F209-F275 HydrophobicContact CB-CE2 3.85Å; F209-F275 HydrophobicContact CB-CG 4.42Å; F209-F275 HydrophobicContact CB-CZ 4.45Å; F209-F275 HydrophobicContact CD2-CE2 4.43Å; F209-F275 HydrophobicContact CG-CD2 4.28Å; F209-F275 HydrophobicContact CG-CE2 4.43Å; E271-F275 VanDerWaalsContact O-CB 3.24Å; E271-F275 WeakPolarHBondContact O-CB 3.47Å; E271-F275 PolarHBondContact O-N 3.25Å; I272-F275 PolarHBondContact O-N 3Å; I273-F275 PolarHBondContact O-N 3.38Å; F275-K278 PolarHBondContact O-N 3.17Å; F275-K278 VanDerWaalsContact O-N 3.16Å; F275-K279 HydrophobicContact CD1-CB 4.38Å; F275-K279 HydrophobicContact CD1-CG 4.28Å; F275-K279 HydrophobicContact CD2-CG 4.05Å; F275-K279 HydrophobicContact CE1-CB 4.1Å; F275-K279 HydrophobicContact CE1-CG 4.03Å; F275-K279 HydrophobicContact CE2-CG 3.8Å; F275-K279 HydrophobicContact CG-CG 4.29Å; F275-K279 HydrophobicContact CZ-CB 4.29Å; F275-K279 HydrophobicContact CZ-CG 3.8Å; F275-K279 VanDerWaalsContact O-CB 3.28Å; F275-K279 WeakPolarHBondContact O-CB 3.39Å; F275-K279 WeakPolarHBondContact O-CG 3.45Å; F275-K279 PolarHBondContact O-N 3.06Å; F275-W280 HydrophobicContact CD1-CZ2 4.07Å; F275-W280 AromaticContact CE1-CE2 3.87Å; F275-W280 AromaticContact CE1-CZ2 3.78Å; F275-W280 HydrophobicContact CE1-CZ2 3.78Å; F275-W280 AromaticContact CE1-NE1 3.78Å
276	A	98.2	Very high	97.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-47.4	-179.9	0	0	0	0	0	112	I272 I273 K278 K279 W280 D281 I288 W314	I272-A276 VanDerWaalsContact O-CB 3.31Å; I272-A276 WeakPolarHBondContact O-CB 3.12Å; I272-A276 PolarHBondContact O-N 3.5Å; I273-A276 PolarHBondContact O-N 3.11Å; A276-K278 VanDerWaalsContact C-N 3.28Å; A276-K278 PolarHBondContact O-N 2.74Å; A276-K279 PolarHBondContact O-N 2.98Å; A276-W280 HydrophobicContact CB-CD2 4.04Å; A276-W280 HydrophobicContact CB-CE3 3.37Å; A276-W280 HydrophobicContact CB-CH2 4.47Å; A276-W280 HydrophobicContact CB-CZ3 3.63Å; A276-W280 WeakPolarHBondContact O-CA 3.33Å; A276-W280 WeakPolarHBondContact O-CB 3.28Å; A276-W280 PolarHBondContact O-N 3.22Å; A276-D281 PolarHBondContact O-N 3.43Å; A276-I288 HydrophobicContact CB-CG2 4.28Å; A276-W314 HydrophobicContact CB-CE3 4.17Å; A276-W314 HydrophobicContact CB-CH2 3.8Å; A276-W314 HydrophobicContact CB-CZ3 3.37Å
277	L	97.7	Very high	97.9	Very high	26 Å²	26	54.4 Å²	54.4	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-41.3	174.1	-79.6	174.1	0	0	0	112.6	I273 M286 W314 L340	I273-L277 HydrophobicContact CG2-CD1 4.49Å; I273-L277 PolarHBondContact O-N 2.79Å; L277-M286 HydrophobicContact CD2-SD 4.24Å; L277-W314 HydrophobicContact CD2-CH2 4.24Å; L277-W314 HydrophobicContact CD2-CZ2 3.69Å; L277-W314 HydrophobicContact CG-CH2 3.87Å; L277-W314 HydrophobicContact CG-CZ2 3.85Å; L277-L340 HydrophobicContact CD1-CD1 4.14Å; L277-L340 HydrophobicContact CD1-CD2 3.77Å; L277-L340 HydrophobicContact CD2-CD1 4.01Å
278	K	97.2	Very high	97.9	Very high	173 Å²	173	51.4 Å²	51.4	75%	0.752	24%	0.235	S	C	*	.	H	α-helix	trans	-74.6	-31.2	-177.2	-176.7	176.3	179	-179.1	0	113.1	Q274 F275 A276	Q274-K278 WeakPolarHBondContact O-CB 3.44Å; Q274-K278 PolarHBondContact O-N 2.88Å; Q274-K278 VanDerWaalsContact O-N 3.13Å; F275-K278 PolarHBondContact O-N 3.17Å; F275-K278 VanDerWaalsContact O-N 3.16Å; A276-K278 VanDerWaalsContact C-N 3.28Å; A276-K278 PolarHBondContact O-N 2.74Å
279	K	96.7	Very high	97.9	Very high	119 Å²	119	52 Å²	52	52%	0.517	24%	0.237	S	C	.	.	H	α-helix	trans	-110	-26.6	-166.9	-67.2	-65.1	-169.4	169.9	0	114.2	F275 A276	F275-K279 HydrophobicContact CD1-CB 4.38Å; F275-K279 HydrophobicContact CD1-CG 4.28Å; F275-K279 HydrophobicContact CD2-CG 4.05Å; F275-K279 HydrophobicContact CE1-CB 4.1Å; F275-K279 HydrophobicContact CE1-CG 4.03Å; F275-K279 HydrophobicContact CE2-CG 3.8Å; F275-K279 HydrophobicContact CG-CG 4.29Å; F275-K279 HydrophobicContact CZ-CB 4.29Å; F275-K279 HydrophobicContact CZ-CG 3.8Å; F275-K279 VanDerWaalsContact O-CB 3.28Å; F275-K279 WeakPolarHBondContact O-CB 3.39Å; F275-K279 WeakPolarHBondContact O-CG 3.45Å; F275-K279 PolarHBondContact O-N 3.06Å; A276-K279 PolarHBondContact O-N 2.98Å
280	W	97.9	Very high	97.9	Very high	9 Å²	9	52 Å²	52	3%	0.034	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-22.3	-169.1	-51.9	-24	0	0	0	113.8	R238 N241 L242 F275 A276 N282 I288 E289	R238-W280 VanDerWaalsContact CZ-CD1 3.48Å; N241-W280 HydrophobicContact CB-CH2 4.15Å; L242-W280 HydrophobicContact CD2-CZ3 4.3Å; L242-W280 HydrophobicContact CG-CZ3 4.38Å; F275-W280 HydrophobicContact CD1-CZ2 4.07Å; F275-W280 AromaticContact CE1-CE2 3.87Å; F275-W280 AromaticContact CE1-CZ2 3.78Å; F275-W280 HydrophobicContact CE1-CZ2 3.78Å; F275-W280 AromaticContact CE1-NE1 3.78Å; A276-W280 HydrophobicContact CB-CD2 4.04Å; A276-W280 HydrophobicContact CB-CE3 3.37Å; A276-W280 HydrophobicContact CB-CH2 4.47Å; A276-W280 HydrophobicContact CB-CZ3 3.63Å; A276-W280 WeakPolarHBondContact O-CA 3.33Å; A276-W280 WeakPolarHBondContact O-CB 3.28Å; A276-W280 PolarHBondContact O-N 3.22Å; W280-N282 PolarHBondContact O-N 3.37Å; W280-N282 PolarHBondContact O-ND2 3.19Å; W280-I288 HydrophobicContact CB-CB 3.95Å; W280-I288 HydrophobicContact CB-CG2 4.02Å; W280-I288 HydrophobicContact CE3-CB 4.49Å; W280-I288 HydrophobicContact CE3-CD1 4.06Å; W280-I288 HydrophobicContact CE3-CG2 4.18Å; W280-E289 PolarHBondContact O-N 2.84Å
281	D	98	Very high	97.7	Very high	15 Å²	15	52.7 Å²	52.7	8%	0.08	24%	0.243	C	C	.	.			trans	-84.8	99.1	169	175.2	5.5	0	0	0	109.2	A276 D283 R284 D285 M286 L287	A276-D281 PolarHBondContact O-N 3.43Å; D281-D283 PolarHBondContact OD1-N 3Å; D281-R284 WeakPolarHBondContact OD1-CA 3.27Å; D281-R284 PolarHBondContact OD1-N 2.9Å; D281-R284 WeakPolarHBondContact OD2-CA 3.32Å; D281-D285 PolarHBondContact OD1-N 3.15Å; D281-M286 VanDerWaalsContact OD2-CA 3.28Å; D281-M286 WeakPolarHBondContact OD2-CA 3.25Å; D281-M286 PolarHBondContact OD2-N 3.27Å; D281-L287 WeakPolarHBondContact CB-O 3.28Å
282	N	96.4	Very high	97.6	Very high	120 Å²	120	50.3 Å²	50.3	64%	0.642	24%	0.237	S	C	*	.	S	Bend	trans	-88.9	-29.3	-173.5	-61.1	-79.2	0	0	0	112.6	W280 E289	W280-N282 PolarHBondContact O-N 3.37Å; W280-N282 PolarHBondContact O-ND2 3.19Å; N282-E289 WeakPolarHBondContact CB-OE2 3.47Å; N282-E289 PolarHBondContact N-OE2 3.44Å; N282-E289 PolarHBondContact ND2-OE2 3.22Å
283	D	96.4	Very high	97.4	Very high	87 Å²	87	53.5 Å²	53.5	47%	0.465	26%	0.256	S	S	.	.	S	Bend	trans	-101.7	-1.2	-176.9	72.9	9.4	0	0	0	113.9	D281 D285 K351	D281-D283 PolarHBondContact OD1-N 3Å; D283-D285 VanDerWaalsContact C-N 3.31Å; D283-D285 WeakPolarHBondContact OD1-CB 3.48Å; D283-D285 PolarHBondContact OD1-N 3.21Å; D283-K351 IonicContact OD1-NZ 2.69Å; D283-K351 PolarHBondContact OD1-NZ 2.74Å; D283-K351 WeakPolarHBondContact OD2-CE 3.35Å; D283-K351 IonicContact OD2-NZ 2.8Å; D283-K351 PolarHBondContact OD2-NZ 3.34Å
284	R	96.9	Very high	97.3	Very high	210 Å²	210	53.6 Å²	53.6	79%	0.792	26%	0.257	S	S	*	.	S	Bend	trans	64.1	33.1	176.3	-53.8	-177.3	179.7	-176.1	-0.8	113.1	D281 M286	D281-R284 WeakPolarHBondContact OD1-CA 3.27Å; D281-R284 PolarHBondContact OD1-N 2.9Å; D281-R284 WeakPolarHBondContact OD2-CA 3.32Å; R284-M286 VanDerWaalsContact C-N 3.34Å; R284-M286 WeakPolarHBondContact O-CE 3.38Å
285	D	97.7	Very high	97.2	Very high	21 Å²	21	50 Å²	50	11%	0.112	24%	0.24	C	C	.	.	S	Bend	trans	-96.8	14.1	175	89	-9.2	0	0	0	113.8	D281 D283 L287 S347 R350 K351	D281-D285 PolarHBondContact OD1-N 3.15Å; D283-D285 VanDerWaalsContact C-N 3.31Å; D283-D285 WeakPolarHBondContact OD1-CB 3.48Å; D283-D285 PolarHBondContact OD1-N 3.21Å; D285-L287 PolarHBondContact O-N 2.85Å; D285-L287 VanDerWaalsContact OD1-CB 3.29Å; D285-L287 WeakPolarHBondContact OD1-CB 3.38Å; D285-L287 PolarHBondContact OD1-N 3.06Å; D285-S347 WeakPolarHBondContact CB-OG 3.28Å; D285-S347 VanDerWaalsContact CG-CB 3.49Å; D285-S347 VanDerWaalsContact CG-OG 3.25Å; D285-S347 WeakPolarHBondContact O-CB 3.44Å; D285-S347 PolarHBondContact O-OG 3.22Å; D285-S347 VanDerWaalsContact OD2-CB 3.27Å; D285-S347 WeakPolarHBondContact OD2-CB 3.38Å; D285-S347 PolarHBondContact OD2-OG 3.33Å; D285-R350 IonicContact OD2-NH2 2.8Å; D285-R350 PolarHBondContact OD2-NH2 3.24Å; D285-K351 IonicContact OD1-NZ 3.59Å; D285-K351 PolarHBondContact OD1-NZ 2.82Å; D285-K351 WeakPolarHBondContact OD2-CE 3.31Å; D285-K351 IonicContact OD2-NZ 3.56Å; D285-K351 PolarHBondContact OD2-NZ 3.25Å
286	M	98.3	Very high	97.2	Very high	56 Å²	56	47.7 Å²	47.7	28%	0.276	23%	0.23	S	C	.	.	S	Bend	trans	68.6	11	177.8	-50.8	-63.3	112.7	0	0	113.9	L277 D281 R284 W314 L340 E343 A344	L277-M286 HydrophobicContact CD2-SD 4.24Å; D281-M286 VanDerWaalsContact OD2-CA 3.28Å; D281-M286 WeakPolarHBondContact OD2-CA 3.25Å; D281-M286 PolarHBondContact OD2-N 3.27Å; R284-M286 VanDerWaalsContact C-N 3.34Å; R284-M286 WeakPolarHBondContact O-CE 3.38Å; M286-W314 PolarHBondContact O-NE1 3.43Å; M286-L340 HydrophobicContact CB-CD1 3.77Å; M286-L340 HydrophobicContact CG-CD1 3.78Å; M286-L340 HydrophobicContact SD-CD1 3.39Å; M286-L340 WeakPolarHBondContact SD-CD1 3.44Å; M286-E343 HydrophobicContact CB-CB 4.13Å; M286-E343 HydrophobicContact CG-CB 3.92Å; M286-A344 HydrophobicContact CB-CB 4.44Å; M286-A344 VanDerWaalsContact O-CB 3.27Å; M286-A344 WeakPolarHBondContact O-CB 3.34Å
287	L	98.6	Very high	97.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.			trans	-112.1	143.5	171.5	-173.5	61.2	0	0	0	109.6	D281 D285 A306 W314 F348 K351	D281-L287 WeakPolarHBondContact CB-O 3.28Å; D285-L287 PolarHBondContact O-N 2.85Å; D285-L287 VanDerWaalsContact OD1-CB 3.29Å; D285-L287 WeakPolarHBondContact OD1-CB 3.38Å; D285-L287 PolarHBondContact OD1-N 3.06Å; L287-A306 HydrophobicContact CD2-CB 3.54Å; L287-A306 HydrophobicContact CG-CB 4.21Å; L287-W314 HydrophobicContact CD1-CG 4.49Å; L287-F348 HydrophobicContact CD1-CB 4.38Å; L287-F348 HydrophobicContact CD1-CD2 4.22Å; L287-F348 HydrophobicContact CD2-CB 4.01Å; L287-F348 HydrophobicContact CD2-CD2 4.22Å; L287-K351 HydrophobicContact CD2-CD 4.07Å
288	I	98.6	Very high	97.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.225	C	C	.	.			trans	-82.7	153.4	178.3	64.1	162.8	0	0	0	111.7	R238 L242 A276 W280 C310 W314	R238-I288 HydrophobicContact CB-CD1 4.41Å; L242-I288 HydrophobicContact CD1-CD1 3.59Å; A276-I288 HydrophobicContact CB-CG2 4.28Å; W280-I288 HydrophobicContact CB-CB 3.95Å; W280-I288 HydrophobicContact CB-CG2 4.02Å; W280-I288 HydrophobicContact CE3-CB 4.49Å; W280-I288 HydrophobicContact CE3-CD1 4.06Å; W280-I288 HydrophobicContact CE3-CG2 4.18Å; I288-C310 HydrophobicContact CD1-CB 4.27Å; I288-W314 HydrophobicContact CD1-CB 3.99Å; I288-W314 HydrophobicContact CD1-CG 4.47Å; I288-W314 HydrophobicContact CG1-CB 3.84Å; I288-W314 HydrophobicContact CG1-CD2 4.45Å; I288-W314 HydrophobicContact CG1-CG 4.01Å; I288-W314 HydrophobicContact CG2-CD2 3.66Å; I288-W314 HydrophobicContact CG2-CE3 3.86Å; I288-W314 HydrophobicContact CG2-CG 4.04Å; I288-W314 HydrophobicContact CG2-CH2 4.44Å; I288-W314 HydrophobicContact CG2-CZ2 4.29Å; I288-W314 HydrophobicContact CG2-CZ3 4.26Å
289	E	98.6	Very high	97.3	Very high	11 Å²	11	40 Å²	40	5%	0.051	20%	0.197	C	C	.	.			trans	-114.9	143	172	-64.7	85.1	-158.5	0	0	114.4	R238 W280 N282 G305 K351	R238-E289 WeakPolarHBondContact CD-O 3.33Å; R238-E289 PolarHBondContact NE-O 3.23Å; W280-E289 PolarHBondContact O-N 2.84Å; N282-E289 WeakPolarHBondContact CB-OE2 3.47Å; N282-E289 PolarHBondContact N-OE2 3.44Å; N282-E289 PolarHBondContact ND2-OE2 3.22Å; E289-G305 WeakPolarHBondContact CA-O 3.36Å; E289-K351 IonicContact OE1-NZ 3.5Å; E289-K351 PolarHBondContact OE1-NZ 2.99Å; E289-K351 VanDerWaalsContact OE1-NZ 3.16Å
290	N	98.4	Very high	97.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	145.4	159.1	-62.6	94.3	0	0	0	110.4	G292 D295 M303 G305 S307 C310	N290-G292 PolarHBondContact O-N 3.14Å; N290-D295 WeakPolarHBondContact CA-OD2 3.49Å; N290-D295 PolarHBondContact ND2-OD1 3.05Å; N290-M303 HydrophobicContact CB-CB 3.66Å; N290-M303 WeakPolarHBondContact CB-O 3.4Å; N290-G305 PolarHBondContact N-O 3Å; N290-G305 PolarHBondContact O-N 3.08Å; N290-S307 WeakPolarHBondContact OD1-CB 3.4Å; N290-S307 PolarHBondContact OD1-OG 2.94Å; N290-C310 PolarHBondContact ND2-SG 3.22Å
291	N	95.2	Very high	97.3	Very high	65 Å²	65	35.9 Å²	35.9	35%	0.348	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	6.9	-170	67.8	7.1	0	0	0	115.3	T293 D295	N291-T293 PolarHBondContact ND2-OG1 3.02Å; N291-T293 VanDerWaalsContact OD1-CB 3.3Å; N291-T293 WeakPolarHBondContact OD1-CB 3.49Å; N291-T293 PolarHBondContact OD1-N 2.71Å; N291-T293 PolarHBondContact OD1-OG1 3.43Å; N291-D295 PolarHBondContact N-OD2 2.98Å; N291-D295 PolarHBondContact OD1-OD2 3.09Å; N291-D295 VanDerWaalsContact OD1-OD2 3.14Å
292	G	94.9	Very high	97.2	Very high	18 Å²	18	40.9 Å²	40.9	19%	0.186	21%	0.207	C	C	.	.	S	Bend	trans	86.9	8.3	-174.9	0	0	0	0	0	115	N290 M303	N290-G292 PolarHBondContact O-N 3.14Å; G292-M303 WeakPolarHBondContact CA-O 3.48Å; G292-M303 PolarHBondContact N-O 2.87Å
293	T	94.6	Very high	97.3	Very high	66 Å²	66	35.1 Å²	35.1	41%	0.405	18%	0.177	S	C	.	.	S	Bend	trans	-113.2	-176.7	172.7	72.7	0	0	0	0	110.7	N291 D295 M303	N291-T293 PolarHBondContact ND2-OG1 3.02Å; N291-T293 VanDerWaalsContact OD1-CB 3.3Å; N291-T293 WeakPolarHBondContact OD1-CB 3.49Å; N291-T293 PolarHBondContact OD1-N 2.71Å; N291-T293 PolarHBondContact OD1-OG1 3.43Å; T293-D295 VanDerWaalsContact C-N 3.28Å; T293-D295 PolarHBondContact O-N 3.08Å; T293-M303 PolarHBondContact O-N 2.8Å
294	C	96.1	Very high	97.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	18%	0.175	C	C	.	.			trans	-86.8	74.2	172.5	-52.5	0	0	0	0	108.9	W237 Q296 D299 A300	W237-C294 PolarHBondContact NE1-O 2.9Å; C294-Q296 VanDerWaalsContact C-N 3.35Å; C294-Q296 PolarHBondContact O-N 2.79Å; C294-D299 WeakPolarHBondContact CB-O 3.49Å; C294-D299 PolarHBondContact SG-O 2.94Å; C294-A300 VanDerWaalsContact SG-C 3.59Å
295	D	97.2	Very high	97.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.142	C	C	.	.			trans	-98.1	39.3	-174.2	61.5	-6.6	0	0	0	112.6	K236 W237 R238 N290 N291 T293	K236-D295 WeakPolarHBondContact O-CB 3.31Å; W237-D295 CarbonylContact C-O 3.54Å; W237-D295 WeakPolarHBondContact CA-O 3.37Å; R238-D295 WeakPolarHBondContact CG-OD2 3.48Å; R238-D295 IonicContact CZ-OD2 2.74Å; R238-D295 PolarHBondContact N-O 3.28Å; R238-D295 IonicContact NE-OD2 3.77Å; R238-D295 IonicContact NH2-OD2 3.41Å; N290-D295 WeakPolarHBondContact CA-OD2 3.49Å; N290-D295 PolarHBondContact ND2-OD1 3.05Å; N291-D295 PolarHBondContact N-OD2 2.98Å; N291-D295 PolarHBondContact OD1-OD2 3.09Å; N291-D295 VanDerWaalsContact OD1-OD2 3.14Å; T293-D295 VanDerWaalsContact C-N 3.28Å; T293-D295 PolarHBondContact O-N 3.08Å
296	Q	98.2	Very high	97.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-167.9	174.8	179.8	43.3	66.8	42.8	0	0	110.7	D239 C294 Y298 D299 W301 M303 Y309	D239-Q296 HydrophobicContact CB-CB 4.01Å; D239-Q296 WeakPolarHBondContact OD1-CA 3.37Å; C294-Q296 VanDerWaalsContact C-N 3.35Å; C294-Q296 PolarHBondContact O-N 2.79Å; Q296-Y298 PolarHBondContact NE2-O 3.43Å; Q296-Y298 CarbonylContact O-C 3.45Å; Q296-Y298 PolarHBondContact O-N 3.37Å; Q296-D299 PolarHBondContact O-N 3.41Å; Q296-W301 PolarHBondContact NE2-O 2.85Å; Q296-M303 HydrophobicContact CG-CE 4.26Å; Q296-M303 HydrophobicContact CG-SD 3.83Å; Q296-Y309 HydrophobicContact CB-CD1 4.49Å; Q296-Y309 HydrophobicContact CB-CE1 4.25Å; Q296-Y309 HydrophobicContact CG-CD1 4.44Å
297	T	98.4	Very high	97.4	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.031	12%	0.123	C	C	.	.	S	Bend	trans	-48.8	-32	-174.4	-163.2	0	0	0	0	115.8	D158 D239 D299 Y309 W439 R497	D158-T297 WeakPolarHBondContact OD2-CB 3.45Å; D158-T297 PolarHBondContact OD2-OG1 2.94Å; D239-T297 WeakPolarHBondContact OD2-CB 3.33Å; D239-T297 PolarHBondContact OD2-N 3.19Å; T297-D299 PolarHBondContact O-N 3.4Å; T297-Y309 HydrophobicContact CG2-CE1 4.11Å; T297-Y309 VanDerWaalsContact CG2-OH 3.26Å; T297-Y309 WeakPolarHBondContact CG2-OH 3.31Å; T297-W439 HydrophobicContact CG2-CZ3 4.19Å; T297-R497 PolarHBondContact OG1-NH1 3.23Å; T297-R497 PolarHBondContact OG1-NH2 3.32Å
298	Y	98.4	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-76.9	68.9	167.6	-56.6	-97.5	0	0	0	109	Q296 A300 W301 M303 Y309 M371 D373 N420 Q434 W439 V442	Q296-Y298 PolarHBondContact NE2-O 3.43Å; Q296-Y298 CarbonylContact O-C 3.45Å; Q296-Y298 PolarHBondContact O-N 3.37Å; Y298-A300 PolarHBondContact O-N 2.77Å; Y298-W301 AromaticContact CD1-CE3 3.85Å; Y298-W301 HydrophobicContact CD1-CE3 3.85Å; Y298-W301 HydrophobicContact CD1-CZ3 4.35Å; Y298-W301 HydrophobicContact CE1-CE3 4.44Å; Y298-W301 HydrophobicContact CG-CE3 4.22Å; Y298-W301 PolarHBondContact O-N 2.68Å; Y298-M303 HydrophobicContact CD2-CE 4.46Å; Y298-Y309 HydrophobicContact CE2-CD2 4.39Å; Y298-Y309 HydrophobicContact CE2-CE2 4.13Å; Y298-M371 HydrophobicContact CD2-CE 3.66Å; Y298-M371 HydrophobicContact CE1-CE 4.18Å; Y298-M371 HydrophobicContact CE2-CE 3.27Å; Y298-M371 HydrophobicContact CG-CE 4.3Å; Y298-D373 HydrophobicContact CE2-CB 4.46Å; Y298-D373 WeakPolarHBondContact OH-CB 3.29Å; Y298-D373 PolarHBondContact OH-OD2 2.86Å; Y298-D373 VanDerWaalsContact OH-OD2 3.06Å; Y298-N420 HydrophobicContact CE1-CB 4.41Å; Y298-Q434 PolarHBondContact O-OE1 3.02Å; Y298-W439 HydrophobicContact CD1-CD2 4.44Å; Y298-W439 HydrophobicContact CD1-CE3 4.1Å; Y298-W439 AromaticContact CD1-CH2 3.33Å; Y298-W439 HydrophobicContact CD1-CH2 3.33Å; Y298-W439 AromaticContact CD1-CZ2 3.71Å; Y298-W439 HydrophobicContact CD1-CZ2 3.71Å; Y298-W439 AromaticContact CD1-CZ3 3.53Å; Y298-W439 HydrophobicContact CD1-CZ3 3.53Å; Y298-W439 HydrophobicContact CD2-CH2 4.41Å; Y298-W439 HydrophobicContact CD2-CZ3 4.24Å; Y298-W439 AromaticContact CE1-CD2 3.99Å; Y298-W439 HydrophobicContact CE1-CD2 3.99Å; Y298-W439 AromaticContact CE1-CE3 3.56Å; Y298-W439 HydrophobicContact CE1-CE3 3.56Å; Y298-W439 AromaticContact CE1-CH2 3.71Å; Y298-W439 HydrophobicContact CE1-CH2 3.71Å; Y298-W439 HydrophobicContact CE1-CZ2 4.1Å; Y298-W439 AromaticContact CE1-CZ3 3.4Å; Y298-W439 HydrophobicContact CE1-CZ3 3.4Å; Y298-W439 VanDerWaalsContact CE1-CZ3 3.4Å; Y298-W439 HydrophobicContact CE2-CZ3 4.11Å; Y298-W439 AromaticContact CG-CH2 3.73Å; Y298-W439 HydrophobicContact CG-CH2 3.73Å; Y298-W439 HydrophobicContact CG-CZ2 4.45Å; Y298-W439 AromaticContact CG-CZ3 3.95Å; Y298-W439 HydrophobicContact CG-CZ3 3.95Å; Y298-W439 AromaticContact CZ-CE3 3.89Å; Y298-W439 AromaticContact CZ-CZ3 3.7Å; Y298-V442 WeakPolarHBondContact OH-CG2 3.48Å
299	D	97	Very high	97.5	Very high	32 Å²	32	22.1 Å²	22.1	17%	0.171	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-3.8	-170.5	78.5	-44.5	0	0	0	114.7	Y229 H232 W237 C294 Q296 T297 Q434	Y229-D299 VanDerWaalsContact OH-CB 3.28Å; Y229-D299 WeakPolarHBondContact OH-CB 3.42Å; Y229-D299 PolarHBondContact OH-OD2 3.48Å; H232-D299 PolarHBondContact CE1-O 3.25Å; H232-D299 PolarHBondContact NE2-O 2.99Å; W237-D299 HydrophobicContact CH2-CB 4.18Å; W237-D299 HydrophobicContact CZ2-CB 3.98Å; C294-D299 WeakPolarHBondContact CB-O 3.49Å; C294-D299 PolarHBondContact SG-O 2.94Å; Q296-D299 PolarHBondContact O-N 3.41Å; T297-D299 PolarHBondContact O-N 3.4Å; D299-Q434 PolarHBondContact OD1-NE2 2.72Å
300	A	96.9	Very high	97.5	Very high	36 Å²	36	21.6 Å²	21.6	30%	0.298	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	9.3	170.7	0	0	0	0	0	112.6	C294 Y298 S432 I433 Q434	C294-A300 VanDerWaalsContact SG-C 3.59Å; Y298-A300 PolarHBondContact O-N 2.77Å; A300-S432 VanDerWaalsContact C-OG 3.27Å; A300-S432 VanDerWaalsContact O-CB 3.28Å; A300-S432 WeakPolarHBondContact O-CB 3.34Å; A300-S432 PolarHBondContact O-OG 3.25Å; A300-I433 HydrophobicContact CB-CG2 4.28Å; A300-Q434 HydrophobicContact CB-CG 4.07Å
301	W	97.6	Very high	97.5	Very high	6 Å²	6	21.6 Å²	21.6	2%	0.023	12%	0.12	C	C	.	.	S	Bend	trans	-123.1	106	179.8	-158.7	9.5	0	0	0	111.4	Q296 Y298 F360 T369 M371 N420 S431 Q434 S435	Q296-W301 PolarHBondContact NE2-O 2.85Å; Y298-W301 AromaticContact CD1-CE3 3.85Å; Y298-W301 HydrophobicContact CD1-CE3 3.85Å; Y298-W301 HydrophobicContact CD1-CZ3 4.35Å; Y298-W301 HydrophobicContact CE1-CE3 4.44Å; Y298-W301 HydrophobicContact CG-CE3 4.22Å; Y298-W301 PolarHBondContact O-N 2.68Å; W301-F360 AromaticContact CD1-CZ 3.93Å; W301-F360 AromaticContact CD2-CE2 3.61Å; W301-F360 HydrophobicContact CD2-CE2 3.61Å; W301-F360 AromaticContact CD2-CZ 3.8Å; W301-F360 HydrophobicContact CD2-CZ 3.8Å; W301-F360 AromaticContact CE2-CE2 3.36Å; W301-F360 AromaticContact CE2-CZ 3.63Å; W301-F360 AromaticContact CE3-CE2 3.84Å; W301-F360 HydrophobicContact CE3-CE2 3.84Å; W301-F360 HydrophobicContact CE3-CZ 4.4Å; W301-F360 HydrophobicContact CG-CE2 4.33Å; W301-F360 HydrophobicContact CG-CZ 4.04Å; W301-F360 AromaticContact CH2-CD2 3.97Å; W301-F360 HydrophobicContact CH2-CD2 3.97Å; W301-F360 AromaticContact CH2-CE2 3.66Å; W301-F360 HydrophobicContact CH2-CE2 3.66Å; W301-F360 AromaticContact CZ2-CD2 3.8Å; W301-F360 HydrophobicContact CZ2-CD2 3.8Å; W301-F360 AromaticContact CZ2-CE2 3.43Å; W301-F360 HydrophobicContact CZ2-CE2 3.43Å; W301-F360 VanDerWaalsContact CZ2-CE2 3.43Å; W301-F360 HydrophobicContact CZ2-CZ 4.13Å; W301-F360 AromaticContact CZ3-CE2 3.85Å; W301-F360 HydrophobicContact CZ3-CE2 3.85Å; W301-F360 AromaticContact NE1-CE2 3.92Å; W301-F360 AromaticContact NE1-CZ 3.7Å; W301-T369 HydrophobicContact CH2-CG2 4.22Å; W301-T369 HydrophobicContact CZ2-CG2 3.78Å; W301-M371 HydrophobicContact CH2-CG 4.18Å; W301-M371 HydrophobicContact CZ3-CE 4.24Å; W301-M371 HydrophobicContact CZ3-CG 4.07Å; W301-M371 HydrophobicContact CZ3-SD 4.44Å; W301-N420 HydrophobicContact CH2-CB 4.44Å; W301-N420 HydrophobicContact CZ3-CB 3.91Å; W301-S431 PolarHBondContact NE1-OG 2.92Å; W301-Q434 HydrophobicContact CB-CB 4.42Å; W301-S435 VanDerWaalsContact CE2-CB 3.46Å; W301-S435 VanDerWaalsContact CZ2-CB 3.4Å
302	K	97	Very high	97.6	Very high	120 Å²	120	18.6 Å²	18.6	52%	0.522	10%	0.104	S	C	.	.			trans	-69.9	138.4	-174.5	-63.1	180	179.8	-176.3	0	111.6	F360	K302-F360 VanDerWaalsContact O-CE1 3.28Å; K302-F360 WeakPolarHBondContact O-CE1 3.3Å
303	M	98.1	Very high	97.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.			trans	-119.7	144.1	169.2	-66.2	179	-173.7	0	0	109.4	N290 G292 T293 Q296 Y298 S307 Y309 F360 M371	N290-M303 HydrophobicContact CB-CB 3.66Å; N290-M303 WeakPolarHBondContact CB-O 3.4Å; G292-M303 WeakPolarHBondContact CA-O 3.48Å; G292-M303 PolarHBondContact N-O 2.87Å; T293-M303 PolarHBondContact O-N 2.8Å; Q296-M303 HydrophobicContact CG-CE 4.26Å; Q296-M303 HydrophobicContact CG-SD 3.83Å; Y298-M303 HydrophobicContact CD2-CE 4.46Å; M303-S307 PolarHBondContact SD-OG 3.35Å; M303-Y309 HydrophobicContact CE-CD1 4.1Å; M303-Y309 HydrophobicContact CE-CG 4.2Å; M303-Y309 HydrophobicContact SD-CD1 4.42Å; M303-F360 HydrophobicContact CB-CE1 4.46Å; M303-F360 HydrophobicContact CE-CE2 3.98Å; M303-F360 HydrophobicContact CE-CZ 3.96Å; M303-F360 HydrophobicContact CG-CE1 3.74Å; M303-F360 HydrophobicContact CG-CE2 4.42Å; M303-F360 HydrophobicContact CG-CZ 3.54Å; M303-M371 HydrophobicContact CE-CE 3.69Å; M303-M371 HydrophobicContact CE-SD 3.95Å
304	Q	97.5	Very high	98	Very high	94 Å²	94	14.6 Å²	14.6	44%	0.439	8%	0.076	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.1	-177.7	174	69.5	70.5	0	0	111.5	D361 S363	Q304-D361 PolarHBondContact N-OD2 3.45Å; Q304-D361 WeakPolarHBondContact O-CB 3.31Å; Q304-S363 WeakPolarHBondContact CB-OG 3.33Å
305	G	98.1	Very high	98.2	Very high	8 Å²	8	14.6 Å²	14.6	8%	0.082	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.5	-155.5	-174.4	0	0	0	0	0	110.5	E289 N290 S307	E289-G305 WeakPolarHBondContact CA-O 3.36Å; N290-G305 PolarHBondContact N-O 3Å; N290-G305 PolarHBondContact O-N 3.08Å; G305-S307 PolarHBondContact O-N 2.98Å
306	A	98.3	Very high	98.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-62.8	130.6	170.1	0	0	0	0	0	109.9	L287 K351 L352 D361 E362	L287-A306 HydrophobicContact CD2-CB 3.54Å; L287-A306 HydrophobicContact CG-CB 4.21Å; A306-K351 HydrophobicContact CB-CD 3.85Å; A306-L352 HydrophobicContact CB-CD1 4.4Å; A306-L352 WeakPolarHBondContact O-CD2 3.34Å; A306-D361 CarbonylContact O-C 3.55Å; A306-D361 VanDerWaalsContact O-CA 3.24Å; A306-D361 WeakPolarHBondContact O-CA 3.26Å; A306-E362 HydrophobicContact CB-CG 4.08Å; A306-E362 PolarHBondContact N-OE2 3.24Å; A306-E362 PolarHBondContact O-N 3.22Å; A306-E362 VanDerWaalsContact O-N 3.15Å
307	S	98.6	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-111.8	152.4	170.9	66.4	0	0	0	0	110.9	N290 M303 G305 Y309 C310 G311 F360	N290-S307 WeakPolarHBondContact OD1-CB 3.4Å; N290-S307 PolarHBondContact OD1-OG 2.94Å; M303-S307 PolarHBondContact SD-OG 3.35Å; G305-S307 PolarHBondContact O-N 2.98Å; S307-Y309 VanDerWaalsContact C-N 3.28Å; S307-Y309 PolarHBondContact O-N 2.96Å; S307-C310 WeakPolarHBondContact OG-CB 3.24Å; S307-C310 PolarHBondContact OG-N 3.03Å; S307-C310 VanDerWaalsContact OG-N 3.08Å; S307-G311 VanDerWaalsContact O-CA 3.29Å; S307-G311 WeakPolarHBondContact O-CA 3.34Å; S307-G311 PolarHBondContact O-N 3.39Å; S307-F360 WeakPolarHBondContact CA-O 3.49Å; S307-F360 WeakPolarHBondContact CB-O 3.47Å
308	A	98.7	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.1	-41.7	174.7	0	0	0	0	0	110.8	S312 F348 L352 R359 F360 Q374	A308-S312 WeakPolarHBondContact O-CB 3.27Å; A308-S312 PolarHBondContact O-N 2.78Å; A308-S312 PolarHBondContact O-OG 3.33Å; A308-S312 VanDerWaalsContact O-OG 3.08Å; A308-F348 HydrophobicContact CB-CZ 4.46Å; A308-L352 HydrophobicContact CB-CD1 4.38Å; A308-R359 VanDerWaalsContact CB-O 3.3Å; A308-R359 WeakPolarHBondContact CB-O 3.27Å; A308-F360 PolarHBondContact N-O 3.38Å; A308-Q374 CarbonylContact C-O 3.26Å; A308-Q374 HydrophobicContact CB-CB 3.75Å; A308-Q374 WeakPolarHBondContact CB-O 3.32Å
309	Y	98.9	Very high	98.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.8	-67.3	178.8	-176.7	-112	0	0	0	112.3	Y162 D239 K243 Q296 T297 Y298 M303 S307 G311 S312 L313 M371 D373 C376	Y162-Y309 WeakPolarHBondContact OH-CE2 3.28Å; Y162-Y309 PolarHBondContact OH-OH 3.27Å; D239-Y309 HydrophobicContact CB-CE1 3.99Å; K243-Y309 WeakPolarHBondContact CE-OH 3.48Å; K243-Y309 PolarHBondContact NZ-OH 3.35Å; Q296-Y309 HydrophobicContact CB-CD1 4.49Å; Q296-Y309 HydrophobicContact CB-CE1 4.25Å; Q296-Y309 HydrophobicContact CG-CD1 4.44Å; T297-Y309 HydrophobicContact CG2-CE1 4.11Å; T297-Y309 VanDerWaalsContact CG2-OH 3.26Å; T297-Y309 WeakPolarHBondContact CG2-OH 3.31Å; Y298-Y309 HydrophobicContact CE2-CD2 4.39Å; Y298-Y309 HydrophobicContact CE2-CE2 4.13Å; M303-Y309 HydrophobicContact CE-CD1 4.1Å; M303-Y309 HydrophobicContact CE-CG 4.2Å; M303-Y309 HydrophobicContact SD-CD1 4.42Å; S307-Y309 VanDerWaalsContact C-N 3.28Å; S307-Y309 PolarHBondContact O-N 2.96Å; Y309-G311 PolarHBondContact O-N 2.86Å; Y309-S312 PolarHBondContact O-N 3Å; Y309-S312 PolarHBondContact O-OG 2.93Å; Y309-L313 HydrophobicContact CD1-CD1 4.25Å; Y309-L313 HydrophobicContact CE1-CD1 3.84Å; Y309-L313 HydrophobicContact CE2-CD1 4.38Å; Y309-L313 WeakPolarHBondContact O-CG 3.24Å; Y309-L313 PolarHBondContact O-N 3.23Å; Y309-L313 VanDerWaalsContact O-N 3.16Å; Y309-M371 HydrophobicContact CD2-CE 4.1Å; Y309-M371 HydrophobicContact CG-CE 4.06Å; Y309-D373 HydrophobicContact CD2-CB 4.24Å; Y309-D373 WeakPolarHBondContact CD2-O 3.29Å; Y309-D373 HydrophobicContact CE2-CB 4.39Å; Y309-D373 VanDerWaalsContact CE2-OD2 3.28Å; Y309-D373 WeakPolarHBondContact CE2-OD2 3.2Å; Y309-C376 HydrophobicContact CD2-CB 3.65Å; Y309-C376 HydrophobicContact CE2-CB 3.5Å; Y309-C376 VanDerWaalsContact CE2-CB 3.5Å
310	C	98.8	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.5	-34.1	-177.1	-63.4	0	0	0	0	112.4	R238 I288 N290 S307 S312 L313 W314	R238-C310 HydrophobicContact CB-CB 4.21Å; I288-C310 HydrophobicContact CD1-CB 4.27Å; N290-C310 PolarHBondContact ND2-SG 3.22Å; S307-C310 WeakPolarHBondContact OG-CB 3.24Å; S307-C310 PolarHBondContact OG-N 3.03Å; S307-C310 VanDerWaalsContact OG-N 3.08Å; C310-S312 PolarHBondContact O-N 3.05Å; C310-L313 WeakPolarHBondContact O-CB 3.2Å; C310-L313 PolarHBondContact O-N 2.89Å; C310-W314 WeakPolarHBondContact O-CB 3.34Å; C310-W314 PolarHBondContact O-N 2.97Å
311	G	98.7	Very high	98.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.9	-37.7	175.7	0	0	0	0	0	112.8	S307 Y309 W314 I315	S307-G311 VanDerWaalsContact O-CA 3.29Å; S307-G311 WeakPolarHBondContact O-CA 3.34Å; S307-G311 PolarHBondContact O-N 3.39Å; Y309-G311 PolarHBondContact O-N 2.86Å; G311-W314 WeakPolarHBondContact O-CB 3.25Å; G311-W314 PolarHBondContact O-N 2.96Å; G311-I315 PolarHBondContact O-N 2.96Å
312	S	98.8	Very high	98.5	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.014	6%	0.058	C	C	.	.	H	α-helix	trans	-69.2	-36	174.5	75.2	0	0	0	0	112.2	A308 Y309 C310 W314 G316 C376 G377	A308-S312 WeakPolarHBondContact O-CB 3.27Å; A308-S312 PolarHBondContact O-N 2.78Å; A308-S312 PolarHBondContact O-OG 3.33Å; A308-S312 VanDerWaalsContact O-OG 3.08Å; Y309-S312 PolarHBondContact O-N 3Å; Y309-S312 PolarHBondContact O-OG 2.93Å; C310-S312 PolarHBondContact O-N 3.05Å; S312-W314 VanDerWaalsContact C-N 3.34Å; S312-G316 PolarHBondContact O-N 3.32Å; S312-C376 PolarHBondContact OG-N 3.41Å; S312-G377 WeakPolarHBondContact O-CA 3.43Å; S312-G377 PolarHBondContact OG-N 3.2Å
313	L	98.9	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63	-41.9	172.4	-68.9	170.1	0	0	0	110.9	F161 D239 L242 K243 L246 Y309 C310 G316 A317	F161-L313 HydrophobicContact CZ-CD2 4Å; D239-L313 HydrophobicContact CB-CD1 3.67Å; L242-L313 HydrophobicContact CB-CB 3.98Å; L242-L313 HydrophobicContact CD1-CB 3.91Å; K243-L313 HydrophobicContact CG-CD1 4.48Å; K243-L313 HydrophobicContact CG-CD2 4.34Å; L246-L313 HydrophobicContact CD1-CB 4.37Å; L246-L313 HydrophobicContact CD1-CD2 3.45Å; L246-L313 VanDerWaalsContact CD1-CD2 3.45Å; Y309-L313 HydrophobicContact CD1-CD1 4.25Å; Y309-L313 HydrophobicContact CE1-CD1 3.84Å; Y309-L313 HydrophobicContact CE2-CD1 4.38Å; Y309-L313 WeakPolarHBondContact O-CG 3.24Å; Y309-L313 PolarHBondContact O-N 3.23Å; Y309-L313 VanDerWaalsContact O-N 3.16Å; C310-L313 WeakPolarHBondContact O-CB 3.2Å; C310-L313 PolarHBondContact O-N 2.89Å; L313-G316 PolarHBondContact O-N 2.77Å; L313-A317 PolarHBondContact O-N 3.43Å
314	W	98.8	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.3	-53.4	178.6	173	-112.2	0	0	0	112.5	L242 I273 A276 L277 M286 L287 I288 C310 G311 S312 G316 A317 L318	L242-W314 HydrophobicContact CD1-CB 4.06Å; L242-W314 HydrophobicContact CD1-CE3 4.43Å; L242-W314 HydrophobicContact CD2-CE3 3.68Å; L242-W314 HydrophobicContact CD2-CZ3 4.11Å; I273-W314 HydrophobicContact CB-CH2 4.36Å; I273-W314 HydrophobicContact CB-CZ3 4.49Å; I273-W314 HydrophobicContact CG1-CZ3 4.38Å; I273-W314 HydrophobicContact CG2-CH2 3.72Å; I273-W314 HydrophobicContact CG2-CZ3 4.28Å; A276-W314 HydrophobicContact CB-CE3 4.17Å; A276-W314 HydrophobicContact CB-CH2 3.8Å; A276-W314 HydrophobicContact CB-CZ3 3.37Å; L277-W314 HydrophobicContact CD2-CH2 4.24Å; L277-W314 HydrophobicContact CD2-CZ2 3.69Å; L277-W314 HydrophobicContact CG-CH2 3.87Å; L277-W314 HydrophobicContact CG-CZ2 3.85Å; M286-W314 PolarHBondContact O-NE1 3.43Å; L287-W314 HydrophobicContact CD1-CG 4.49Å; I288-W314 HydrophobicContact CD1-CB 3.99Å; I288-W314 HydrophobicContact CD1-CG 4.47Å; I288-W314 HydrophobicContact CG1-CB 3.84Å; I288-W314 HydrophobicContact CG1-CD2 4.45Å; I288-W314 HydrophobicContact CG1-CG 4.01Å; I288-W314 HydrophobicContact CG2-CD2 3.66Å; I288-W314 HydrophobicContact CG2-CE3 3.86Å; I288-W314 HydrophobicContact CG2-CG 4.04Å; I288-W314 HydrophobicContact CG2-CH2 4.44Å; I288-W314 HydrophobicContact CG2-CZ2 4.29Å; I288-W314 HydrophobicContact CG2-CZ3 4.26Å; C310-W314 WeakPolarHBondContact O-CB 3.34Å; C310-W314 PolarHBondContact O-N 2.97Å; G311-W314 WeakPolarHBondContact O-CB 3.25Å; G311-W314 PolarHBondContact O-N 2.96Å; S312-W314 VanDerWaalsContact C-N 3.34Å; W314-G316 PolarHBondContact O-N 3.13Å; W314-A317 WeakPolarHBondContact O-CB 3.46Å; W314-A317 PolarHBondContact O-N 3.22Å; W314-L318 HydrophobicContact CD2-CD1 4.47Å; W314-L318 HydrophobicContact CD2-CG 4.31Å; W314-L318 HydrophobicContact CH2-CD2 3.94Å; W314-L318 HydrophobicContact CZ2-CD1 4.04Å; W314-L318 HydrophobicContact CZ2-CD2 3.73Å; W314-L318 HydrophobicContact CZ2-CG 4.06Å; W314-L318 HydrophobicContact CZ3-CD2 4.47Å; W314-L318 WeakPolarHBondContact O-CG 3.4Å; W314-L318 PolarHBondContact O-N 2.73Å
315	I	98.7	Very high	98.7	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.01	3%	0.028	C	C	.	.	H	α-helix	trans	-57.7	-38.1	175.8	-75.6	171.3	0	0	0	110.7	G311 L318 R319 L341 A344 I345 F348 L390	G311-I315 PolarHBondContact O-N 2.96Å; I315-L318 PolarHBondContact O-N 3.48Å; I315-R319 PolarHBondContact O-N 2.9Å; I315-R319 VanDerWaalsContact O-N 3.1Å; I315-L341 HydrophobicContact CB-CD1 4.45Å; I315-L341 HydrophobicContact CG2-CD1 3.8Å; I315-L341 WeakPolarHBondContact O-CD1 3.38Å; I315-A344 HydrophobicContact CG1-CB 4.14Å; I315-I345 HydrophobicContact CD1-CG1 4.01Å; I315-I345 HydrophobicContact CG1-CG1 4.28Å; I315-I345 HydrophobicContact CG2-CD1 4.46Å; I315-I345 HydrophobicContact CG2-CG1 3.85Å; I315-F348 HydrophobicContact CD1-CB 3.41Å; I315-F348 VanDerWaalsContact CD1-CB 3.41Å; I315-F348 HydrophobicContact CD1-CD1 3.99Å; I315-F348 HydrophobicContact CD1-CD2 3.96Å; I315-F348 HydrophobicContact CD1-CG 3.54Å; I315-L390 HydrophobicContact CG2-CD1 3.53Å; I315-L390 HydrophobicContact CG2-CD2 4.03Å; I315-L390 HydrophobicContact CG2-CG 3.62Å
316	G	98.8	Very high	98.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64.1	-42.3	174.7	0	0	0	0	0	113.5	S312 L313 W314 R319 V320	S312-G316 PolarHBondContact O-N 3.32Å; L313-G316 PolarHBondContact O-N 2.77Å; W314-G316 PolarHBondContact O-N 3.13Å; G316-R319 PolarHBondContact O-N 3.22Å; G316-V320 WeakPolarHBondContact O-CG2 3.47Å; G316-V320 PolarHBondContact O-N 3.3Å
317	A	98.9	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.5	-39.6	176.5	0	0	0	0	0	112.4	L242 V245 L313 W314 V320 A321	L242-A317 HydrophobicContact CD2-CB 4.1Å; V245-A317 HydrophobicContact CB-CB 4Å; V245-A317 HydrophobicContact CG1-CB 3.8Å; V245-A317 HydrophobicContact CG2-CB 4.46Å; L313-A317 PolarHBondContact O-N 3.43Å; W314-A317 WeakPolarHBondContact O-CB 3.46Å; W314-A317 PolarHBondContact O-N 3.22Å; A317-V320 WeakPolarHBondContact O-CB 3.46Å; A317-V320 PolarHBondContact O-N 3.36Å; A317-A321 PolarHBondContact O-N 3.35Å
318	L	98.8	Very high	98.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.1	-42.9	174.4	-68	-176.1	0	0	0	112.1	I273 W314 I315 V320 A321 E322 L340 L341 A344	I273-L318 HydrophobicContact CD1-CD2 4.35Å; I273-L318 HydrophobicContact CG1-CD2 4.49Å; I273-L318 HydrophobicContact CG2-CD2 3.64Å; W314-L318 HydrophobicContact CD2-CD1 4.47Å; W314-L318 HydrophobicContact CD2-CG 4.31Å; W314-L318 HydrophobicContact CH2-CD2 3.94Å; W314-L318 HydrophobicContact CZ2-CD1 4.04Å; W314-L318 HydrophobicContact CZ2-CD2 3.73Å; W314-L318 HydrophobicContact CZ2-CG 4.06Å; W314-L318 HydrophobicContact CZ3-CD2 4.47Å; W314-L318 WeakPolarHBondContact O-CG 3.4Å; W314-L318 PolarHBondContact O-N 2.73Å; I315-L318 PolarHBondContact O-N 3.48Å; L318-V320 VanDerWaalsContact C-N 3.34Å; L318-V320 PolarHBondContact O-N 3.34Å; L318-A321 PolarHBondContact O-N 2.91Å; L318-E322 PolarHBondContact O-N 2.95Å; L318-L340 HydrophobicContact CD1-CD2 4.35Å; L318-L340 HydrophobicContact CD1-CG 3.99Å; L318-L340 HydrophobicContact CD2-CD2 3.46Å; L318-L340 VanDerWaalsContact CD2-CD2 3.46Å; L318-L340 HydrophobicContact CD2-CG 4.03Å; L318-L341 HydrophobicContact CB-CB 4.2Å; L318-L341 HydrophobicContact CB-CD1 3.84Å; L318-L341 HydrophobicContact CD1-CD1 4.47Å; L318-A344 HydrophobicContact CD1-CB 3.64Å
319	R	98.7	Very high	98.7	Very high	23 Å²	23	18.9 Å²	18.9	9%	0.087	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-38.9	174	172	53.9	63.7	84.8	-3.9	112.5	I315 G316 A321 E322 K323 L341 V381 I386 S388 L390	I315-R319 PolarHBondContact O-N 2.9Å; I315-R319 VanDerWaalsContact O-N 3.1Å; G316-R319 PolarHBondContact O-N 3.22Å; R319-A321 VanDerWaalsContact C-N 3.35Å; R319-E322 VanDerWaalsContact CD-OE2 3.27Å; R319-E322 WeakPolarHBondContact CD-OE2 3.28Å; R319-E322 IonicContact CZ-OE2 3.5Å; R319-E322 IonicContact NE-OE2 2.69Å; R319-E322 PolarHBondContact NE-OE2 2.75Å; R319-E322 IonicContact NH2-OE2 3.83Å; R319-K323 WeakPolarHBondContact O-CB 3.4Å; R319-K323 PolarHBondContact O-N 2.91Å; R319-L341 HydrophobicContact CB-CD2 4.06Å; R319-V381 HydrophobicContact CB-CG1 4.49Å; R319-V381 HydrophobicContact CG-CG1 3.8Å; R319-I386 WeakPolarHBondContact CD-O 3.48Å; R319-I386 HydrophobicContact CG-CD1 4.22Å; R319-I386 VanDerWaalsContact CG-O 3.29Å; R319-I386 WeakPolarHBondContact CG-O 3.31Å; R319-I386 PolarHBondContact NH1-O 3.41Å; R319-S388 VanDerWaalsContact CZ-O 3.28Å; R319-S388 PolarHBondContact NH1-O 2.89Å; R319-S388 PolarHBondContact NH2-O 3.2Å; R319-L390 HydrophobicContact CB-CD1 3.64Å; R319-L390 HydrophobicContact CG-CD1 4.06Å
320	V	98.8	Very high	98.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	11%	0.109	C	C	.	.	H	α-helix	trans	-59.1	-49.3	172.4	165.3	0	0	0	0	110	V245 L246 Y249 G316 A317 L318 E322 K323 V324 I386	V245-V320 HydrophobicContact CG1-CB 3.8Å; V245-V320 HydrophobicContact CG1-CG1 3.6Å; V245-V320 HydrophobicContact CG1-CG2 4.47Å; L246-V320 HydrophobicContact CD2-CG2 4.33Å; Y249-V320 HydrophobicContact CD2-CG1 4.06Å; Y249-V320 HydrophobicContact CG-CG1 4.18Å; Y249-V320 HydrophobicContact CG-CG2 4.06Å; G316-V320 WeakPolarHBondContact O-CG2 3.47Å; G316-V320 PolarHBondContact O-N 3.3Å; A317-V320 WeakPolarHBondContact O-CB 3.46Å; A317-V320 PolarHBondContact O-N 3.36Å; L318-V320 VanDerWaalsContact C-N 3.34Å; L318-V320 PolarHBondContact O-N 3.34Å; V320-E322 PolarHBondContact O-N 3.41Å; V320-K323 PolarHBondContact O-N 2.78Å; V320-K323 VanDerWaalsContact O-N 3.13Å; V320-V324 HydrophobicContact CG1-CG2 4.13Å; V320-V324 VanDerWaalsContact O-CG2 3.3Å; V320-V324 WeakPolarHBondContact O-CG2 3.47Å; V320-V324 PolarHBondContact O-N 3.08Å; V320-I386 HydrophobicContact CG2-CD1 4.05Å
321	A	98.8	Very high	98.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-40.3	-178.7	0	0	0	0	0	113.9	W266 I269 I273 A317 L318 R319 K323 V324 C325 Y337	W266-A321 HydrophobicContact CH2-CB 4.23Å; W266-A321 HydrophobicContact CZ3-CB 4.02Å; I269-A321 HydrophobicContact CG2-CB 4.37Å; I273-A321 HydrophobicContact CD1-CB 3.29Å; A317-A321 PolarHBondContact O-N 3.35Å; L318-A321 PolarHBondContact O-N 2.91Å; R319-A321 VanDerWaalsContact C-N 3.35Å; A321-K323 VanDerWaalsContact C-N 3.33Å; A321-K323 PolarHBondContact O-N 3.35Å; A321-V324 PolarHBondContact O-N 3Å; A321-C325 PolarHBondContact O-N 3.33Å; A321-C325 PolarHBondContact O-SG 2.81Å; A321-Y337 HydrophobicContact CB-CD1 3.89Å; A321-Y337 HydrophobicContact CB-CD2 4.05Å; A321-Y337 HydrophobicContact CB-CE1 4.03Å; A321-Y337 HydrophobicContact CB-CE2 4.21Å; A321-Y337 HydrophobicContact CB-CG 3.92Å
322	E	98.7	Very high	98.6	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-52.7	-52.6	169.7	177.1	-173.6	-149.3	0	0	110.4	L318 R319 V320 V324 C325 E326 H338 L341	L318-E322 PolarHBondContact O-N 2.95Å; R319-E322 VanDerWaalsContact CD-OE2 3.27Å; R319-E322 WeakPolarHBondContact CD-OE2 3.28Å; R319-E322 IonicContact CZ-OE2 3.5Å; R319-E322 IonicContact NE-OE2 2.69Å; R319-E322 PolarHBondContact NE-OE2 2.75Å; R319-E322 IonicContact NH2-OE2 3.83Å; V320-E322 PolarHBondContact O-N 3.41Å; E322-V324 PolarHBondContact O-N 3.16Å; E322-C325 WeakPolarHBondContact O-CB 3.14Å; E322-C325 PolarHBondContact O-N 2.97Å; E322-E326 PolarHBondContact O-N 3.31Å; E322-H338 IonicContact OE1-CE1 3.16Å; E322-H338 IonicContact OE1-CG 3.01Å; E322-H338 IonicContact OE1-ND1 2.8Å; E322-H338 PolarHBondContact OE1-ND1 3.33Å; E322-L341 VanDerWaalsContact OE2-CD2 3.27Å; E322-L341 WeakPolarHBondContact OE2-CD2 3.14Å
323	K	98.4	Very high	98.5	Very high	73 Å²	73	42.1 Å²	42.1	32%	0.317	19%	0.192	S	C	.	.	H	α-helix	trans	-68.2	-36.3	-176.4	-148.8	72.8	-170.6	161.4	0	113.5	Y249 R319 V320 A321 C325 E326 I327 I386	Y249-K323 HydrophobicContact CE2-CB 4.14Å; Y249-K323 HydrophobicContact CE2-CG 4.26Å; Y249-K323 WeakPolarHBondContact OH-CG 3.14Å; R319-K323 WeakPolarHBondContact O-CB 3.4Å; R319-K323 PolarHBondContact O-N 2.91Å; V320-K323 PolarHBondContact O-N 2.78Å; V320-K323 VanDerWaalsContact O-N 3.13Å; A321-K323 VanDerWaalsContact C-N 3.33Å; A321-K323 PolarHBondContact O-N 3.35Å; K323-C325 VanDerWaalsContact C-N 3.34Å; K323-E326 VanDerWaalsContact CD-OE2 3.31Å; K323-E326 WeakPolarHBondContact CD-OE2 3.25Å; K323-E326 VanDerWaalsContact CE-OE2 3.26Å; K323-E326 WeakPolarHBondContact CE-OE2 3.42Å; K323-E326 IonicContact NZ-OE2 2.73Å; K323-E326 PolarHBondContact NZ-OE2 3.17Å; K323-E326 PolarHBondContact O-N 3.49Å; K323-I327 VanDerWaalsContact O-CG1 3.29Å; K323-I327 WeakPolarHBondContact O-CG1 3.24Å; K323-I327 PolarHBondContact O-N 2.9Å; K323-I386 HydrophobicContact CD-CG2 4.25Å; K323-I386 HydrophobicContact CG-CG2 4.02Å
324	V	98.7	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-39.6	174.6	176.6	0	0	0	0	111	Y249 L262 W266 V320 A321 E322 E326 I327 F328	Y249-V324 HydrophobicContact CD2-CG2 3.99Å; Y249-V324 HydrophobicContact CE2-CG2 4.3Å; L262-V324 HydrophobicContact CD1-CG1 4.26Å; L262-V324 HydrophobicContact CD1-CG2 3.78Å; L262-V324 HydrophobicContact CD2-CG1 4.05Å; L262-V324 HydrophobicContact CD2-CG2 4.15Å; L262-V324 HydrophobicContact CG-CG1 4Å; L262-V324 HydrophobicContact CG-CG2 4.27Å; W266-V324 HydrophobicContact CB-CG1 4.41Å; W266-V324 HydrophobicContact CD2-CG1 3.77Å; W266-V324 HydrophobicContact CE3-CB 3.84Å; W266-V324 HydrophobicContact CE3-CG1 3.29Å; W266-V324 HydrophobicContact CG-CG1 4.26Å; W266-V324 HydrophobicContact CZ3-CB 3.86Å; W266-V324 HydrophobicContact CZ3-CG1 3.81Å; V320-V324 HydrophobicContact CG1-CG2 4.13Å; V320-V324 VanDerWaalsContact O-CG2 3.3Å; V320-V324 WeakPolarHBondContact O-CG2 3.47Å; V320-V324 PolarHBondContact O-N 3.08Å; A321-V324 PolarHBondContact O-N 3Å; E322-V324 PolarHBondContact O-N 3.16Å; V324-E326 VanDerWaalsContact C-N 3.32Å; V324-E326 PolarHBondContact O-N 3.33Å; V324-I327 PolarHBondContact O-N 3.16Å; V324-F328 HydrophobicContact CG1-CD2 3.67Å; V324-F328 HydrophobicContact CG1-CE2 3.58Å; V324-F328 WeakPolarHBondContact O-CD2 3.26Å; V324-F328 PolarHBondContact O-N 3.3Å; V324-F328 VanDerWaalsContact O-N 3.12Å
325	C	98.7	Very high	98.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-37.9	173.8	-69.1	0	0	0	0	112.4	W266 A321 E322 K323 D329 Y330 K333 A334 Y337	W266-C325 WeakPolarHBondContact CH2-SG 3.4Å; W266-C325 WeakPolarHBondContact CZ2-SG 3.41Å; A321-C325 PolarHBondContact O-N 3.33Å; A321-C325 PolarHBondContact O-SG 2.81Å; E322-C325 WeakPolarHBondContact O-CB 3.14Å; E322-C325 PolarHBondContact O-N 2.97Å; K323-C325 VanDerWaalsContact C-N 3.34Å; C325-D329 PolarHBondContact O-N 3.42Å; C325-D329 VanDerWaalsContact O-N 3.1Å; C325-Y330 PolarHBondContact O-N 2.8Å; C325-K333 HydrophobicContact CB-CB 4.32Å; C325-K333 VanDerWaalsContact SG-CB 3.52Å; C325-A334 HydrophobicContact CB-CB 3.71Å; C325-Y337 VanDerWaalsContact SG-CD2 3.57Å
326	E	98.1	Very high	98.5	Very high	88 Å²	88	50.1 Å²	50.1	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-64.2	-43.5	174	-69.6	177.2	-179	0	0	112.1	E322 K323 V324 F328 D329 A334	E322-E326 PolarHBondContact O-N 3.31Å; K323-E326 VanDerWaalsContact CD-OE2 3.31Å; K323-E326 WeakPolarHBondContact CD-OE2 3.25Å; K323-E326 VanDerWaalsContact CE-OE2 3.26Å; K323-E326 WeakPolarHBondContact CE-OE2 3.42Å; K323-E326 IonicContact NZ-OE2 2.73Å; K323-E326 PolarHBondContact NZ-OE2 3.17Å; K323-E326 PolarHBondContact O-N 3.49Å; V324-E326 VanDerWaalsContact C-N 3.32Å; V324-E326 PolarHBondContact O-N 3.33Å; E326-F328 VanDerWaalsContact C-N 3.28Å; E326-F328 PolarHBondContact O-N 3.2Å; E326-D329 PolarHBondContact O-N 3.17Å; E326-D329 VanDerWaalsContact O-N 3.09Å; E326-A334 HydrophobicContact CG-CB 4.28Å
327	I	98.4	Very high	98.5	Very high	56 Å²	56	50.1 Å²	50.1	29%	0.287	24%	0.235	S	C	.	.	H	α-helix	trans	-58.4	-41.5	178.2	-71.4	163.2	0	0	0	111.2	Y249 Y252 L259 L262 K323 V324	Y249-I327 HydrophobicContact CE2-CD1 3.99Å; Y252-I327 HydrophobicContact CE1-CD1 3.88Å; L259-I327 HydrophobicContact CD2-CG2 3.57Å; L262-I327 HydrophobicContact CD2-CB 4.48Å; L262-I327 HydrophobicContact CD2-CD1 3.92Å; L262-I327 HydrophobicContact CD2-CG2 4.05Å; K323-I327 VanDerWaalsContact O-CG1 3.29Å; K323-I327 WeakPolarHBondContact O-CG1 3.24Å; K323-I327 PolarHBondContact O-N 2.9Å; V324-I327 PolarHBondContact O-N 3.16Å
328	F	98.5	Very high	98.5	Very high	33 Å²	33	54 Å²	54	15%	0.145	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	5.8	178.4	-66.3	-56.2	0	0	0	114.8	L259 L262 E263 W266 V324 E326 Y330	L259-F328 HydrophobicContact CD2-CE1 4.34Å; L262-F328 HydrophobicContact CB-CE2 4.37Å; L262-F328 HydrophobicContact CB-CZ 3.96Å; L262-F328 HydrophobicContact CD2-CE2 3.98Å; L262-F328 HydrophobicContact CD2-CZ 4.05Å; L262-F328 HydrophobicContact CG-CE2 3.85Å; L262-F328 HydrophobicContact CG-CZ 3.94Å; E263-F328 HydrophobicContact CB-CZ 4.23Å; E263-F328 HydrophobicContact CG-CD1 4.44Å; E263-F328 HydrophobicContact CG-CE1 3.39Å; E263-F328 HydrophobicContact CG-CE2 4.45Å; E263-F328 HydrophobicContact CG-CZ 3.41Å; E263-F328 VanDerWaalsContact CG-CZ 3.41Å; W266-F328 HydrophobicContact CB-CE2 4.39Å; V324-F328 HydrophobicContact CG1-CD2 3.67Å; V324-F328 HydrophobicContact CG1-CE2 3.58Å; V324-F328 WeakPolarHBondContact O-CD2 3.26Å; V324-F328 PolarHBondContact O-N 3.3Å; V324-F328 VanDerWaalsContact O-N 3.12Å; E326-F328 VanDerWaalsContact C-N 3.28Å; E326-F328 PolarHBondContact O-N 3.2Å; F328-Y330 HydrophobicContact CB-CD1 4.01Å; F328-Y330 HydrophobicContact CB-CD2 3.82Å; F328-Y330 HydrophobicContact CB-CE1 3.77Å; F328-Y330 HydrophobicContact CB-CE2 3.57Å; F328-Y330 HydrophobicContact CB-CG 4.04Å; F328-Y330 AromaticContact CD2-CE2 3.99Å; F328-Y330 HydrophobicContact CD2-CE2 3.99Å; F328-Y330 HydrophobicContact CG-CE2 4.05Å; F328-Y330 WeakPolarHBondContact O-CD1 3.05Å; F328-Y330 PolarHBondContact O-N 3.47Å
329	D	98.1	Very high	98.4	Very high	104 Å²	104	59.5 Å²	59.5	56%	0.556	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	33.2	-175.3	-161.2	37	0	0	0	114.1	C325 E326 K331	C325-D329 PolarHBondContact O-N 3.42Å; C325-D329 VanDerWaalsContact O-N 3.1Å; E326-D329 PolarHBondContact O-N 3.17Å; E326-D329 VanDerWaalsContact O-N 3.09Å; D329-K331 VanDerWaalsContact C-N 3.25Å; D329-K331 VanDerWaalsContact CG-CE 3.49Å; D329-K331 PolarHBondContact O-N 2.82Å; D329-K331 WeakPolarHBondContact OD1-CE 3.22Å; D329-K331 IonicContact OD1-NZ 2.8Å; D329-K331 WeakPolarHBondContact OD2-CE 3.24Å; D329-K331 IonicContact OD2-NZ 2.91Å
330	Y	98.2	Very high	98.4	Very high	98 Å²	98	58.8 Å²	58.8	38%	0.384	28%	0.277	S	S	.	.			trans	-80.5	66.5	174.3	-60.9	-21.8	0	0	0	111.5	W266 C325 F328 E332 K333 A334	W266-Y330 HydrophobicContact CZ2-CD2 4.48Å; W266-Y330 AromaticContact NE1-CE2 3.57Å; C325-Y330 PolarHBondContact O-N 2.8Å; F328-Y330 HydrophobicContact CB-CD1 4.01Å; F328-Y330 HydrophobicContact CB-CD2 3.82Å; F328-Y330 HydrophobicContact CB-CE1 3.77Å; F328-Y330 HydrophobicContact CB-CE2 3.57Å; F328-Y330 HydrophobicContact CB-CG 4.04Å; F328-Y330 AromaticContact CD2-CE2 3.99Å; F328-Y330 HydrophobicContact CD2-CE2 3.99Å; F328-Y330 HydrophobicContact CG-CE2 4.05Å; F328-Y330 WeakPolarHBondContact O-CD1 3.05Å; F328-Y330 PolarHBondContact O-N 3.47Å; Y330-E332 VanDerWaalsContact C-N 3.35Å; Y330-E332 PolarHBondContact O-N 2.58Å; Y330-E332 VanDerWaalsContact O-N 3.17Å; Y330-K333 PolarHBondContact O-N 2.68Å; Y330-A334 PolarHBondContact O-N 3.2Å
331	K	97.9	Very high	98.4	Very high	143 Å²	143	58.9 Å²	58.9	62%	0.622	28%	0.277	S	S	*	.	H	α-helix	trans	-49.9	-45.5	-169.4	-62.3	-178.4	-174.1	175.4	0	115.1	D329 A334 C335	D329-K331 VanDerWaalsContact C-N 3.25Å; D329-K331 VanDerWaalsContact CG-CE 3.49Å; D329-K331 PolarHBondContact O-N 2.82Å; D329-K331 WeakPolarHBondContact OD1-CE 3.22Å; D329-K331 IonicContact OD1-NZ 2.8Å; D329-K331 WeakPolarHBondContact OD2-CE 3.24Å; D329-K331 IonicContact OD2-NZ 2.91Å; K331-A334 PolarHBondContact O-N 3.08Å; K331-C335 PolarHBondContact O-N 3.4Å
332	E	98.4	Very high	98.4	Very high	175 Å²	175	63.2 Å²	63.2	82%	0.818	30%	0.297	S	S	*	.	H	α-helix	trans	-65.3	-42.4	179.7	-67	-179.4	-178.2	0	0	111.8	Y330 C335 Y336	Y330-E332 VanDerWaalsContact C-N 3.35Å; Y330-E332 PolarHBondContact O-N 2.58Å; Y330-E332 VanDerWaalsContact O-N 3.17Å; E332-C335 PolarHBondContact O-N 3.1Å; E332-Y336 PolarHBondContact O-N 3.24Å
333	K	98.2	Very high	98.4	Very high	74 Å²	74	66.6 Å²	66.6	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-70.2	-39	177.3	-67.2	-170.9	173.8	-168.2	0	111.8	W266 E270 C325 Y330 C335 Y336 Y337	W266-K333 HydrophobicContact CZ2-CD 4.27Å; E270-K333 WeakPolarHBondContact OE1-CD 3.39Å; E270-K333 WeakPolarHBondContact OE1-CE 2.99Å; E270-K333 IonicContact OE1-NZ 2.69Å; E270-K333 PolarHBondContact OE1-NZ 3.34Å; E270-K333 IonicContact OE2-NZ 3.83Å; E270-K333 PolarHBondContact OE2-NZ 2.64Å; C325-K333 HydrophobicContact CB-CB 4.32Å; C325-K333 VanDerWaalsContact SG-CB 3.52Å; Y330-K333 PolarHBondContact O-N 2.68Å; K333-C335 VanDerWaalsContact C-N 3.31Å; K333-C335 PolarHBondContact O-N 2.85Å; K333-Y336 PolarHBondContact O-N 3.01Å; K333-Y337 HydrophobicContact CB-CD2 4.35Å; K333-Y337 HydrophobicContact CB-CE2 4.22Å; K333-Y337 WeakPolarHBondContact O-CD2 3.29Å; K333-Y337 PolarHBondContact O-N 3.23Å
334	A	98.5	Very high	98.4	Very high	14 Å²	14	63.1 Å²	63.1	12%	0.116	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-46	174.2	0	0	0	0	0	110.8	C325 E326 Y330 K331 Y337 H338	C325-A334 HydrophobicContact CB-CB 3.71Å; E326-A334 HydrophobicContact CG-CB 4.28Å; Y330-A334 PolarHBondContact O-N 3.2Å; K331-A334 PolarHBondContact O-N 3.08Å; A334-Y337 PolarHBondContact O-N 3.4Å; A334-H338 VanDerWaalsContact O-CB 3.28Å; A334-H338 WeakPolarHBondContact O-CB 3.37Å; A334-H338 PolarHBondContact O-N 3.5Å
335	C	98.5	Very high	98.4	Very high	64 Å²	64	64.3 Å²	64.3	43%	0.432	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-45.4	175	-165.4	0	0	0	0	112.1	K331 E332 K333 H338 E339	K331-C335 PolarHBondContact O-N 3.4Å; E332-C335 PolarHBondContact O-N 3.1Å; K333-C335 VanDerWaalsContact C-N 3.31Å; K333-C335 PolarHBondContact O-N 2.85Å; C335-H338 WeakPolarHBondContact O-CB 3.39Å; C335-H338 PolarHBondContact O-N 3.05Å; C335-E339 WeakPolarHBondContact O-CG 3.41Å; C335-E339 PolarHBondContact O-N 3.11Å
336	Y	98.6	Very high	98.4	Very high	92 Å²	92	69 Å²	69	36%	0.361	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-48.9	177.1	167.2	-100.8	0	0	0	112.6	Q274 E332 K333 H338 E339 L340	Q274-Y336 PolarHBondContact NE2-OH 3.48Å; E332-Y336 PolarHBondContact O-N 3.24Å; K333-Y336 PolarHBondContact O-N 3.01Å; Y336-H338 VanDerWaalsContact C-N 3.32Å; Y336-H338 PolarHBondContact O-N 3.29Å; Y336-E339 PolarHBondContact O-N 3.12Å; Y336-L340 HydrophobicContact CE1-CD2 4.28Å; Y336-L340 VanDerWaalsContact O-CB 3.28Å; Y336-L340 WeakPolarHBondContact O-CB 3.47Å; Y336-L340 PolarHBondContact O-N 3.24Å
337	Y	98.6	Very high	98.4	Very high	1 Å²	1	64.9 Å²	64.9	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-68.8	-31.7	179	-71.5	-62.1	0	0	0	112.3	W266 E270 I273 A321 C325 K333 A334 L340 L341	W266-Y337 HydrophobicContact CH2-CD2 4.38Å; W266-Y337 AromaticContact CH2-CE2 3.67Å; W266-Y337 HydrophobicContact CH2-CE2 3.67Å; W266-Y337 HydrophobicContact CZ2-CE2 4.21Å; E270-Y337 WeakPolarHBondContact CG-OH 3.41Å; E270-Y337 PolarHBondContact OE1-OH 2.89Å; I273-Y337 HydrophobicContact CB-CE1 4.46Å; I273-Y337 HydrophobicContact CD1-CE1 4.16Å; I273-Y337 HydrophobicContact CG2-CD1 4.48Å; I273-Y337 HydrophobicContact CG2-CE1 3.84Å; A321-Y337 HydrophobicContact CB-CD1 3.89Å; A321-Y337 HydrophobicContact CB-CD2 4.05Å; A321-Y337 HydrophobicContact CB-CE1 4.03Å; A321-Y337 HydrophobicContact CB-CE2 4.21Å; A321-Y337 HydrophobicContact CB-CG 3.92Å; C325-Y337 VanDerWaalsContact SG-CD2 3.57Å; K333-Y337 HydrophobicContact CB-CD2 4.35Å; K333-Y337 HydrophobicContact CB-CE2 4.22Å; K333-Y337 WeakPolarHBondContact O-CD2 3.29Å; K333-Y337 PolarHBondContact O-N 3.23Å; A334-Y337 PolarHBondContact O-N 3.4Å; Y337-L340 HydrophobicContact CD1-CD2 4.23Å; Y337-L341 WeakPolarHBondContact O-CB 3.39Å; Y337-L341 PolarHBondContact O-N 2.78Å
338	H	98.3	Very high	98.4	Very high	80 Å²	80	62.2 Å²	62.2	37%	0.37	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-51.8	172.3	-177.2	76.8	0	0	0	111.8	E322 A334 C335 Y336 L340 L341 E342	E322-H338 IonicContact OE1-CE1 3.16Å; E322-H338 IonicContact OE1-CG 3.01Å; E322-H338 IonicContact OE1-ND1 2.8Å; E322-H338 PolarHBondContact OE1-ND1 3.33Å; A334-H338 VanDerWaalsContact O-CB 3.28Å; A334-H338 WeakPolarHBondContact O-CB 3.37Å; A334-H338 PolarHBondContact O-N 3.5Å; C335-H338 WeakPolarHBondContact O-CB 3.39Å; C335-H338 PolarHBondContact O-N 3.05Å; Y336-H338 VanDerWaalsContact C-N 3.32Å; Y336-H338 PolarHBondContact O-N 3.29Å; H338-L340 VanDerWaalsContact C-N 3.33Å; H338-L340 PolarHBondContact O-N 3.12Å; H338-L341 WeakPolarHBondContact O-CB 2.99Å; H338-L341 PolarHBondContact O-N 3.2Å; H338-E342 IonicContact NE2-OE1 2.72Å; H338-E342 PolarHBondContact O-N 2.9Å
339	E	98.4	Very high	98.4	Very high	116 Å²	116	62.3 Å²	62.3	54%	0.542	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-43.4	177.9	-71.8	173.9	-172.6	0	0	111.6	C335 Y336 L341 E342 E343	C335-E339 WeakPolarHBondContact O-CG 3.41Å; C335-E339 PolarHBondContact O-N 3.11Å; Y336-E339 PolarHBondContact O-N 3.12Å; E339-L341 VanDerWaalsContact C-N 3.35Å; E339-L341 PolarHBondContact O-N 3.1Å; E339-E342 PolarHBondContact O-N 3.13Å; E339-E343 PolarHBondContact O-N 2.65Å
340	L	98.4	Very high	98.4	Very high	9 Å²	9	64.7 Å²	64.7	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-44.2	176.5	-178.8	64.7	0	0	0	111.9	I273 L277 M286 L318 Y336 Y337 H338 E343 A344	I273-L340 HydrophobicContact CG2-CD2 4.29Å; L277-L340 HydrophobicContact CD1-CD1 4.14Å; L277-L340 HydrophobicContact CD1-CD2 3.77Å; L277-L340 HydrophobicContact CD2-CD1 4.01Å; M286-L340 HydrophobicContact CB-CD1 3.77Å; M286-L340 HydrophobicContact CG-CD1 3.78Å; M286-L340 HydrophobicContact SD-CD1 3.39Å; M286-L340 WeakPolarHBondContact SD-CD1 3.44Å; L318-L340 HydrophobicContact CD1-CD2 4.35Å; L318-L340 HydrophobicContact CD1-CG 3.99Å; L318-L340 HydrophobicContact CD2-CD2 3.46Å; L318-L340 VanDerWaalsContact CD2-CD2 3.46Å; L318-L340 HydrophobicContact CD2-CG 4.03Å; Y336-L340 HydrophobicContact CE1-CD2 4.28Å; Y336-L340 VanDerWaalsContact O-CB 3.28Å; Y336-L340 WeakPolarHBondContact O-CB 3.47Å; Y336-L340 PolarHBondContact O-N 3.24Å; Y337-L340 HydrophobicContact CD1-CD2 4.23Å; H338-L340 VanDerWaalsContact C-N 3.33Å; H338-L340 PolarHBondContact O-N 3.12Å; L340-E343 PolarHBondContact O-N 3.28Å; L340-A344 WeakPolarHBondContact O-CB 3.47Å; L340-A344 PolarHBondContact O-N 3.19Å
341	L	98.6	Very high	98.3	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-44.5	177.6	174.9	62.4	0	0	0	111.6	I315 L318 R319 E322 Y337 H338 E339 E343 A344 I345 L390	I315-L341 HydrophobicContact CB-CD1 4.45Å; I315-L341 HydrophobicContact CG2-CD1 3.8Å; I315-L341 WeakPolarHBondContact O-CD1 3.38Å; L318-L341 HydrophobicContact CB-CB 4.2Å; L318-L341 HydrophobicContact CB-CD1 3.84Å; L318-L341 HydrophobicContact CD1-CD1 4.47Å; R319-L341 HydrophobicContact CB-CD2 4.06Å; E322-L341 VanDerWaalsContact OE2-CD2 3.27Å; E322-L341 WeakPolarHBondContact OE2-CD2 3.14Å; Y337-L341 WeakPolarHBondContact O-CB 3.39Å; Y337-L341 PolarHBondContact O-N 2.78Å; H338-L341 WeakPolarHBondContact O-CB 2.99Å; H338-L341 PolarHBondContact O-N 3.2Å; E339-L341 VanDerWaalsContact C-N 3.35Å; E339-L341 PolarHBondContact O-N 3.1Å; L341-E343 PolarHBondContact O-N 2.64Å; L341-A344 PolarHBondContact O-N 3.07Å; L341-I345 HydrophobicContact CD1-CD1 3.76Å; L341-I345 HydrophobicContact CD1-CG1 4.08Å; L341-I345 HydrophobicContact CD2-CD1 4.49Å; L341-I345 HydrophobicContact CG-CD1 3.74Å; L341-I345 HydrophobicContact CG-CG1 4.48Å; L341-I345 WeakPolarHBondContact O-CD1 2.77Å; L341-I345 VanDerWaalsContact O-CG1 3.26Å; L341-I345 WeakPolarHBondContact O-CG1 3.19Å; L341-I345 PolarHBondContact O-N 3.13Å; L341-L390 HydrophobicContact CD1-CD1 3.76Å; L341-L390 HydrophobicContact CD2-CD1 4.01Å; L341-L390 HydrophobicContact CG-CD1 4.4Å
342	E	98.3	Very high	98.3	Very high	91 Å²	91	54.4 Å²	54.4	43%	0.425	25%	0.252	S	S	.	.	H	α-helix	trans	-60.3	-44.4	178.2	-73.7	-155.8	138.9	0	0	112.2	H338 E339 I345 K346	H338-E342 IonicContact NE2-OE1 2.72Å; H338-E342 PolarHBondContact O-N 2.9Å; E339-E342 PolarHBondContact O-N 3.13Å; E342-I345 PolarHBondContact O-N 2.72Å; E342-K346 VanDerWaalsContact O-CG 3.27Å; E342-K346 WeakPolarHBondContact O-CG 3.35Å; E342-K346 PolarHBondContact O-N 2.89Å
343	E	98.4	Very high	98.3	Very high	85 Å²	85	49.2 Å²	49.2	40%	0.397	23%	0.225	S	C	.	.	H	α-helix	trans	-66.9	-42.4	177.5	-68.2	-54	127.8	0	0	111.8	M286 E339 L340 L341 I345 K346 S347	M286-E343 HydrophobicContact CB-CB 4.13Å; M286-E343 HydrophobicContact CG-CB 3.92Å; E339-E343 PolarHBondContact O-N 2.65Å; L340-E343 PolarHBondContact O-N 3.28Å; L341-E343 PolarHBondContact O-N 2.64Å; E343-I345 VanDerWaalsContact C-N 3.34Å; E343-I345 PolarHBondContact O-N 3.21Å; E343-K346 PolarHBondContact O-N 3.35Å; E343-K346 IonicContact OE1-NZ 2.7Å; E343-K346 PolarHBondContact OE1-NZ 3.06Å; E343-S347 PolarHBondContact O-N 3.25Å; E343-S347 PolarHBondContact O-OG 3.36Å
344	A	98.6	Very high	98.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-43.1	175.5	0	0	0	0	0	112	M286 I315 L318 L340 L341 S347 F348	M286-A344 HydrophobicContact CB-CB 4.44Å; M286-A344 VanDerWaalsContact O-CB 3.27Å; M286-A344 WeakPolarHBondContact O-CB 3.34Å; I315-A344 HydrophobicContact CG1-CB 4.14Å; L318-A344 HydrophobicContact CD1-CB 3.64Å; L340-A344 WeakPolarHBondContact O-CB 3.47Å; L340-A344 PolarHBondContact O-N 3.19Å; L341-A344 PolarHBondContact O-N 3.07Å; A344-S347 PolarHBondContact O-N 2.62Å; A344-F348 VanDerWaalsContact O-CB 3.31Å; A344-F348 WeakPolarHBondContact O-CB 3.34Å; A344-F348 PolarHBondContact O-N 2.87Å
345	I	98.4	Very high	98	Very high	25 Å²	25	49.8 Å²	49.8	13%	0.128	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-44.8	176	-69.4	159.9	0	0	0	111	I315 L341 E342 E343 S347 F348 D349 L390 L391	I315-I345 HydrophobicContact CD1-CG1 4.01Å; I315-I345 HydrophobicContact CG1-CG1 4.28Å; I315-I345 HydrophobicContact CG2-CD1 4.46Å; I315-I345 HydrophobicContact CG2-CG1 3.85Å; L341-I345 HydrophobicContact CD1-CD1 3.76Å; L341-I345 HydrophobicContact CD1-CG1 4.08Å; L341-I345 HydrophobicContact CD2-CD1 4.49Å; L341-I345 HydrophobicContact CG-CD1 3.74Å; L341-I345 HydrophobicContact CG-CG1 4.48Å; L341-I345 WeakPolarHBondContact O-CD1 2.77Å; L341-I345 VanDerWaalsContact O-CG1 3.26Å; L341-I345 WeakPolarHBondContact O-CG1 3.19Å; L341-I345 PolarHBondContact O-N 3.13Å; E342-I345 PolarHBondContact O-N 2.72Å; E343-I345 VanDerWaalsContact C-N 3.34Å; E343-I345 PolarHBondContact O-N 3.21Å; I345-S347 VanDerWaalsContact C-N 3.31Å; I345-S347 PolarHBondContact O-N 3.27Å; I345-F348 PolarHBondContact O-N 2.82Å; I345-D349 WeakPolarHBondContact O-CB 3.34Å; I345-D349 PolarHBondContact O-N 3.13Å; I345-L390 HydrophobicContact CD1-CD1 4.35Å; I345-L390 WeakPolarHBondContact CD1-O 3.24Å; I345-L390 WeakPolarHBondContact CG1-O 3.2Å; I345-L391 HydrophobicContact CG2-CD2 4.34Å
346	K	98.3	Very high	97.8	Very high	98 Å²	98	49.9 Å²	49.9	43%	0.426	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-43.4	177.2	-71.7	167	-161.5	163.8	0	111	E342 E343 R350	E342-K346 VanDerWaalsContact O-CG 3.27Å; E342-K346 WeakPolarHBondContact O-CG 3.35Å; E342-K346 PolarHBondContact O-N 2.89Å; E343-K346 PolarHBondContact O-N 3.35Å; E343-K346 IonicContact OE1-NZ 2.7Å; E343-K346 PolarHBondContact OE1-NZ 3.06Å; K346-R350 WeakPolarHBondContact O-CB 3.31Å; K346-R350 PolarHBondContact O-N 3.48Å
347	S	98.5	Very high	97.8	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-45.1	177.4	-68.5	0	0	0	0	112.3	D285 E343 A344 I345 D349 R350 K351	D285-S347 WeakPolarHBondContact CB-OG 3.28Å; D285-S347 VanDerWaalsContact CG-CB 3.49Å; D285-S347 VanDerWaalsContact CG-OG 3.25Å; D285-S347 WeakPolarHBondContact O-CB 3.44Å; D285-S347 PolarHBondContact O-OG 3.22Å; D285-S347 VanDerWaalsContact OD2-CB 3.27Å; D285-S347 WeakPolarHBondContact OD2-CB 3.38Å; D285-S347 PolarHBondContact OD2-OG 3.33Å; E343-S347 PolarHBondContact O-N 3.25Å; E343-S347 PolarHBondContact O-OG 3.36Å; A344-S347 PolarHBondContact O-N 2.62Å; I345-S347 VanDerWaalsContact C-N 3.31Å; I345-S347 PolarHBondContact O-N 3.27Å; S347-D349 PolarHBondContact O-N 3.03Å; S347-R350 PolarHBondContact O-N 3.04Å; S347-R350 PolarHBondContact OG-NH2 3.46Å; S347-K351 WeakPolarHBondContact O-CB 3.42Å; S347-K351 WeakPolarHBondContact O-CG 3.46Å; S347-K351 PolarHBondContact O-N 3.23Å
348	F	98.5	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-47	176.4	-176.4	-95.8	0	0	0	112.1	L287 A308 I315 A344 I345 L352 Y358 L391	L287-F348 HydrophobicContact CD1-CB 4.38Å; L287-F348 HydrophobicContact CD1-CD2 4.22Å; L287-F348 HydrophobicContact CD2-CB 4.01Å; L287-F348 HydrophobicContact CD2-CD2 4.22Å; A308-F348 HydrophobicContact CB-CZ 4.46Å; I315-F348 HydrophobicContact CD1-CB 3.41Å; I315-F348 VanDerWaalsContact CD1-CB 3.41Å; I315-F348 HydrophobicContact CD1-CD1 3.99Å; I315-F348 HydrophobicContact CD1-CD2 3.96Å; I315-F348 HydrophobicContact CD1-CG 3.54Å; A344-F348 VanDerWaalsContact O-CB 3.31Å; A344-F348 WeakPolarHBondContact O-CB 3.34Å; A344-F348 PolarHBondContact O-N 2.87Å; I345-F348 PolarHBondContact O-N 2.82Å; F348-L352 HydrophobicContact CD2-CD1 3.68Å; F348-L352 HydrophobicContact CE2-CD1 3.52Å; F348-L352 HydrophobicContact CG-CD1 4.4Å; F348-L352 HydrophobicContact CZ-CD1 4.13Å; F348-L352 WeakPolarHBondContact O-CB 3.39Å; F348-L352 PolarHBondContact O-N 3.44Å; F348-Y358 AromaticContact CD1-CD1 3.9Å; F348-Y358 HydrophobicContact CD1-CD1 3.9Å; F348-Y358 AromaticContact CD1-CE1 3.55Å; F348-Y358 HydrophobicContact CD1-CE1 3.55Å; F348-Y358 AromaticContact CE1-CD1 3.36Å; F348-Y358 HydrophobicContact CE1-CD1 3.36Å; F348-Y358 HydrophobicContact CE1-CD2 4.38Å; F348-Y358 AromaticContact CE1-CE1 3.3Å; F348-Y358 HydrophobicContact CE1-CE1 3.3Å; F348-Y358 HydrophobicContact CE1-CE2 4.34Å; F348-Y358 AromaticContact CE1-CG 3.92Å; F348-Y358 HydrophobicContact CE1-CG 3.92Å; F348-Y358 AromaticContact CE1-CZ 3.84Å; F348-Y358 HydrophobicContact CZ-CD1 4.01Å; F348-Y358 HydrophobicContact CZ-CE1 4.37Å; F348-Y358 HydrophobicContact CZ-CG 4.3Å; F348-L391 HydrophobicContact CD1-CD2 4.21Å; F348-L391 HydrophobicContact CE1-CD1 4.43Å; F348-L391 HydrophobicContact CE1-CD2 4.4Å
349	D	98	Very high	97.8	Very high	35 Å²	35	43.9 Å²	43.9	19%	0.187	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-45.6	175.3	-94.6	-21	0	0	0	111.9	I345 S347 W353 Y358 K395	I345-D349 WeakPolarHBondContact O-CB 3.34Å; I345-D349 PolarHBondContact O-N 3.13Å; S347-D349 PolarHBondContact O-N 3.03Å; D349-W353 WeakPolarHBondContact O-CB 3.48Å; D349-W353 PolarHBondContact O-N 3.46Å; D349-W353 VanDerWaalsContact O-N 3.08Å; D349-Y358 VanDerWaalsContact OD1-CE1 3.24Å; D349-Y358 WeakPolarHBondContact OD1-CE1 3.44Å; D349-Y358 PolarHBondContact OD1-OH 2.85Å; D349-K395 IonicContact OD1-NZ 2.64Å; D349-K395 PolarHBondContact OD1-NZ 3.41Å; D349-K395 IonicContact OD2-NZ 3.67Å; D349-K395 PolarHBondContact OD2-NZ 3.26Å
350	R	97.9	Very high	97.8	Very high	153 Å²	153	38.3 Å²	38.3	58%	0.577	18%	0.178	S	C	*	.	H	α-helix	trans	-62.7	-43.9	-179.6	-179.8	-179.2	64.2	-111.6	-1.8	112.2	D285 K346 S347	D285-R350 IonicContact OD2-NH2 2.8Å; D285-R350 PolarHBondContact OD2-NH2 3.24Å; K346-R350 WeakPolarHBondContact O-CB 3.31Å; K346-R350 PolarHBondContact O-N 3.48Å; S347-R350 PolarHBondContact O-N 3.04Å; S347-R350 PolarHBondContact OG-NH2 3.46Å
351	K	97.7	Very high	97.8	Very high	25 Å²	25	38 Å²	38	11%	0.109	18%	0.176	C	C	.	.	H	α-helix	trans	-75.4	-39.4	-176.3	-75	174.1	160.1	168.6	0	112	D283 D285 L287 E289 A306 S347 E362	D283-K351 IonicContact OD1-NZ 2.69Å; D283-K351 PolarHBondContact OD1-NZ 2.74Å; D283-K351 WeakPolarHBondContact OD2-CE 3.35Å; D283-K351 IonicContact OD2-NZ 2.8Å; D283-K351 PolarHBondContact OD2-NZ 3.34Å; D285-K351 IonicContact OD1-NZ 3.59Å; D285-K351 PolarHBondContact OD1-NZ 2.82Å; D285-K351 WeakPolarHBondContact OD2-CE 3.31Å; D285-K351 IonicContact OD2-NZ 3.56Å; D285-K351 PolarHBondContact OD2-NZ 3.25Å; L287-K351 HydrophobicContact CD2-CD 4.07Å; E289-K351 IonicContact OE1-NZ 3.5Å; E289-K351 PolarHBondContact OE1-NZ 2.99Å; E289-K351 VanDerWaalsContact OE1-NZ 3.16Å; A306-K351 HydrophobicContact CB-CD 3.85Å; S347-K351 WeakPolarHBondContact O-CB 3.42Å; S347-K351 WeakPolarHBondContact O-CG 3.46Å; S347-K351 PolarHBondContact O-N 3.23Å; K351-E362 HydrophobicContact CB-CG 4.29Å; K351-E362 WeakPolarHBondContact CG-OE1 3.28Å
352	L	98.2	Very high	97.7	Very high	1 Å²	1	41 Å²	41	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-118.1	-23.9	-162.7	-58.2	176.7	0	0	0	115.7	A306 A308 F348 Q354 Y358 R359 E362	A306-L352 HydrophobicContact CB-CD1 4.4Å; A306-L352 WeakPolarHBondContact O-CD2 3.34Å; A308-L352 HydrophobicContact CB-CD1 4.38Å; F348-L352 HydrophobicContact CD2-CD1 3.68Å; F348-L352 HydrophobicContact CE2-CD1 3.52Å; F348-L352 HydrophobicContact CG-CD1 4.4Å; F348-L352 HydrophobicContact CZ-CD1 4.13Å; F348-L352 WeakPolarHBondContact O-CB 3.39Å; F348-L352 PolarHBondContact O-N 3.44Å; L352-Q354 PolarHBondContact O-N 3.34Å; L352-Y358 HydrophobicContact CB-CD1 3.91Å; L352-Y358 CarbonylContact O-C 3.55Å; L352-Y358 WeakPolarHBondContact O-CA 3.4Å; L352-R359 HydrophobicContact CD2-CB 4.3Å; L352-R359 WeakPolarHBondContact O-CG 3.27Å; L352-R359 PolarHBondContact O-N 3.2Å; L352-E362 HydrophobicContact CD2-CG 4.23Å
353	W	97.9	Very high	97.6	Very high	66 Å²	66	37.9 Å²	37.9	25%	0.25	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-74.1	116	-178.5	176.6	-110.1	0	0	0	111.7	D349 G355 Y358 K395 R398	D349-W353 WeakPolarHBondContact O-CB 3.48Å; D349-W353 PolarHBondContact O-N 3.46Å; D349-W353 VanDerWaalsContact O-N 3.08Å; W353-G355 VanDerWaalsContact CE2-CA 3.4Å; W353-G355 VanDerWaalsContact CH2-C 3.45Å; W353-G355 VanDerWaalsContact CZ2-CA 3.44Å; W353-G355 WeakPolarHBondContact CZ2-O 3.32Å; W353-Y358 HydrophobicContact CB-CD1 4.19Å; W353-Y358 HydrophobicContact CB-CE1 3.89Å; W353-Y358 HydrophobicContact CE3-CD1 4.45Å; W353-Y358 HydrophobicContact CE3-CD2 4.13Å; W353-Y358 HydrophobicContact CE3-CE1 4.26Å; W353-Y358 AromaticContact CE3-CE2 3.93Å; W353-Y358 HydrophobicContact CE3-CE2 3.93Å; W353-Y358 HydrophobicContact CE3-CG 4.39Å; W353-Y358 AromaticContact CE3-CZ 4Å; W353-Y358 HydrophobicContact CZ3-CD2 4.49Å; W353-Y358 HydrophobicContact CZ3-CE2 4.29Å; W353-K395 HydrophobicContact CD2-CD 3.78Å; W353-K395 HydrophobicContact CD2-CG 4.1Å; W353-K395 HydrophobicContact CE3-CB 4.19Å; W353-K395 HydrophobicContact CE3-CD 4.14Å; W353-K395 HydrophobicContact CE3-CG 4.24Å; W353-K395 HydrophobicContact CG-CD 4.09Å; W353-K395 HydrophobicContact CH2-CB 3.9Å; W353-K395 HydrophobicContact CH2-CG 3.9Å; W353-K395 HydrophobicContact CZ2-CB 4.27Å; W353-K395 HydrophobicContact CZ2-CD 4.3Å; W353-K395 HydrophobicContact CZ2-CG 3.74Å; W353-K395 HydrophobicContact CZ3-CB 3.86Å; W353-K395 HydrophobicContact CZ3-CG 4.15Å; W353-R398 HydrophobicContact CH2-CB 4.27Å; W353-R398 HydrophobicContact CH2-CG 4.29Å
354	Q	95.2	Very high	97.3	Very high	56 Å²	56	39.6 Å²	39.6	26%	0.262	19%	0.194	S	C	.	.			trans	-109.2	18.5	178.6	64.9	176.6	-30.2	0	0	114.7	L352 Y356 F357 R359 S367	L352-Q354 PolarHBondContact O-N 3.34Å; Q354-Y356 HydrophobicContact CG-CE1 4.07Å; Q354-Y356 WeakPolarHBondContact O-CD1 3.34Å; Q354-Y356 WeakPolarHBondContact O-CE1 3.19Å; Q354-F357 HydrophobicContact CG-CD1 4.3Å; Q354-F357 HydrophobicContact CG-CE1 4.22Å; Q354-F357 WeakPolarHBondContact CG-O 3.42Å; Q354-F357 PolarHBondContact N-O 3.32Å; Q354-R359 HydrophobicContact CB-CG 4.21Å; Q354-R359 HydrophobicContact CG-CG 4.02Å; Q354-S367 PolarHBondContact NE2-O 3.5Å; Q354-S367 PolarHBondContact OE1-O 2.93Å
355	G	95	Very high	97	Very high	44 Å²	44	44.4 Å²	44.4	45%	0.454	23%	0.228	S	C	.	.	S	Bend	trans	101.6	-17.4	172.3	0	0	0	0	0	115.6	W353	W353-G355 VanDerWaalsContact CE2-CA 3.4Å; W353-G355 VanDerWaalsContact CH2-C 3.45Å; W353-G355 VanDerWaalsContact CZ2-CA 3.44Å; W353-G355 WeakPolarHBondContact CZ2-O 3.32Å
356	Y	94.8	Very high	96.7	Very high	65 Å²	65	44.3 Å²	44.3	26%	0.255	23%	0.228	S	C	.	.	S	Bend	trans	-144.9	-20.2	-179.4	52.4	-74.4	0	0	0	114.4	Q354 R398 S399 T402 L424	Q354-Y356 HydrophobicContact CG-CE1 4.07Å; Q354-Y356 WeakPolarHBondContact O-CD1 3.34Å; Q354-Y356 WeakPolarHBondContact O-CE1 3.19Å; Y356-R398 CarbonylContact O-C 3.43Å; Y356-R398 VanDerWaalsContact O-C 3.26Å; Y356-R398 WeakPolarHBondContact O-CG 3.31Å; Y356-S399 PolarHBondContact O-N 3.4Å; Y356-T402 HydrophobicContact CD2-CG2 4.21Å; Y356-T402 PolarHBondContact O-OG1 3.31Å; Y356-L424 HydrophobicContact CE2-CD1 4.4Å; Y356-L424 HydrophobicContact CE2-CD2 3.53Å; Y356-L424 WeakPolarHBondContact OH-CD1 3.37Å
357	F	97.8	Very high	96.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-152.5	173.5	164.9	73	-76.6	0	0	0	109.5	Q354 T369 V370 S399 T402 L424	Q354-F357 HydrophobicContact CG-CD1 4.3Å; Q354-F357 HydrophobicContact CG-CE1 4.22Å; Q354-F357 WeakPolarHBondContact CG-O 3.42Å; Q354-F357 PolarHBondContact N-O 3.32Å; F357-T369 VanDerWaalsContact CE2-O 3.31Å; F357-T369 WeakPolarHBondContact CE2-O 3.28Å; F357-V370 HydrophobicContact CD1-CG2 4.23Å; F357-V370 HydrophobicContact CD2-CB 4.35Å; F357-V370 HydrophobicContact CD2-CG1 4.14Å; F357-V370 HydrophobicContact CD2-CG2 4.16Å; F357-V370 HydrophobicContact CE1-CG2 3.83Å; F357-V370 HydrophobicContact CE2-CB 4.12Å; F357-V370 HydrophobicContact CE2-CG1 4.41Å; F357-V370 HydrophobicContact CE2-CG2 3.79Å; F357-V370 HydrophobicContact CG-CG1 4.47Å; F357-V370 HydrophobicContact CG-CG2 4.37Å; F357-V370 HydrophobicContact CZ-CB 4.36Å; F357-V370 HydrophobicContact CZ-CG2 3.55Å; F357-S399 WeakPolarHBondContact CA-OG 3.33Å; F357-T402 HydrophobicContact CB-CG2 4.11Å; F357-T402 HydrophobicContact CD1-CG2 3.98Å; F357-T402 HydrophobicContact CG-CG2 4.22Å; F357-L424 HydrophobicContact CE1-CD1 4.41Å; F357-L424 HydrophobicContact CE1-CD2 3.79Å; F357-L424 HydrophobicContact CE1-CG 4.39Å; F357-L424 HydrophobicContact CZ-CD2 4.35Å
358	Y	98.3	Very high	96.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-88.4	126.9	171.3	-69.3	-89	0	0	0	109.7	F348 D349 L352 W353 Q374 L375 K395 S399	F348-Y358 AromaticContact CD1-CD1 3.9Å; F348-Y358 HydrophobicContact CD1-CD1 3.9Å; F348-Y358 AromaticContact CD1-CE1 3.55Å; F348-Y358 HydrophobicContact CD1-CE1 3.55Å; F348-Y358 AromaticContact CE1-CD1 3.36Å; F348-Y358 HydrophobicContact CE1-CD1 3.36Å; F348-Y358 HydrophobicContact CE1-CD2 4.38Å; F348-Y358 AromaticContact CE1-CE1 3.3Å; F348-Y358 HydrophobicContact CE1-CE1 3.3Å; F348-Y358 HydrophobicContact CE1-CE2 4.34Å; F348-Y358 AromaticContact CE1-CG 3.92Å; F348-Y358 HydrophobicContact CE1-CG 3.92Å; F348-Y358 AromaticContact CE1-CZ 3.84Å; F348-Y358 HydrophobicContact CZ-CD1 4.01Å; F348-Y358 HydrophobicContact CZ-CE1 4.37Å; F348-Y358 HydrophobicContact CZ-CG 4.3Å; D349-Y358 VanDerWaalsContact OD1-CE1 3.24Å; D349-Y358 WeakPolarHBondContact OD1-CE1 3.44Å; D349-Y358 PolarHBondContact OD1-OH 2.85Å; L352-Y358 HydrophobicContact CB-CD1 3.91Å; L352-Y358 CarbonylContact O-C 3.55Å; L352-Y358 WeakPolarHBondContact O-CA 3.4Å; W353-Y358 HydrophobicContact CB-CD1 4.19Å; W353-Y358 HydrophobicContact CB-CE1 3.89Å; W353-Y358 HydrophobicContact CE3-CD1 4.45Å; W353-Y358 HydrophobicContact CE3-CD2 4.13Å; W353-Y358 HydrophobicContact CE3-CE1 4.26Å; W353-Y358 AromaticContact CE3-CE2 3.93Å; W353-Y358 HydrophobicContact CE3-CE2 3.93Å; W353-Y358 HydrophobicContact CE3-CG 4.39Å; W353-Y358 AromaticContact CE3-CZ 4Å; W353-Y358 HydrophobicContact CZ3-CD2 4.49Å; W353-Y358 HydrophobicContact CZ3-CE2 4.29Å; Y358-Q374 PolarHBondContact O-OE1 2.92Å; Y358-L375 HydrophobicContact CD2-CD2 3.68Å; Y358-L375 HydrophobicContact CD2-CG 4.4Å; Y358-L375 HydrophobicContact CE2-CD2 3.95Å; Y358-L375 HydrophobicContact CG-CD2 4.42Å; Y358-K395 HydrophobicContact CE2-CB 4.39Å; Y358-K395 WeakPolarHBondContact OH-CD 3.31Å; Y358-S399 WeakPolarHBondContact CD2-OG 3.2Å
359	R	98	Very high	96.2	Very high	47 Å²	47	46 Å²	46	18%	0.177	24%	0.24	C	C	.	.			trans	-53.3	145.4	177.3	-68.9	175.6	62.8	-163	-3	110.7	A308 L352 Q354 D361 E362 S363	A308-R359 VanDerWaalsContact CB-O 3.3Å; A308-R359 WeakPolarHBondContact CB-O 3.27Å; L352-R359 HydrophobicContact CD2-CB 4.3Å; L352-R359 WeakPolarHBondContact O-CG 3.27Å; L352-R359 PolarHBondContact O-N 3.2Å; Q354-R359 HydrophobicContact CB-CG 4.21Å; Q354-R359 HydrophobicContact CG-CG 4.02Å; R359-D361 VanDerWaalsContact C-N 3.28Å; R359-D361 PolarHBondContact O-N 3.29Å; R359-E362 VanDerWaalsContact NH2-C 3.34Å; R359-E362 PolarHBondContact NH2-O 3.01Å; R359-S363 VanDerWaalsContact NH2-C 3.26Å; R359-S363 PolarHBondContact NH2-O 3.35Å
360	F	98.4	Very high	96.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-48.1	-52.6	175.6	174.1	-93	0	0	0	111.4	W301 K302 M303 S307 A308 N366 T369 M371	W301-F360 AromaticContact CD1-CZ 3.93Å; W301-F360 AromaticContact CD2-CE2 3.61Å; W301-F360 HydrophobicContact CD2-CE2 3.61Å; W301-F360 AromaticContact CD2-CZ 3.8Å; W301-F360 HydrophobicContact CD2-CZ 3.8Å; W301-F360 AromaticContact CE2-CE2 3.36Å; W301-F360 AromaticContact CE2-CZ 3.63Å; W301-F360 AromaticContact CE3-CE2 3.84Å; W301-F360 HydrophobicContact CE3-CE2 3.84Å; W301-F360 HydrophobicContact CE3-CZ 4.4Å; W301-F360 HydrophobicContact CG-CE2 4.33Å; W301-F360 HydrophobicContact CG-CZ 4.04Å; W301-F360 AromaticContact CH2-CD2 3.97Å; W301-F360 HydrophobicContact CH2-CD2 3.97Å; W301-F360 AromaticContact CH2-CE2 3.66Å; W301-F360 HydrophobicContact CH2-CE2 3.66Å; W301-F360 AromaticContact CZ2-CD2 3.8Å; W301-F360 HydrophobicContact CZ2-CD2 3.8Å; W301-F360 AromaticContact CZ2-CE2 3.43Å; W301-F360 HydrophobicContact CZ2-CE2 3.43Å; W301-F360 VanDerWaalsContact CZ2-CE2 3.43Å; W301-F360 HydrophobicContact CZ2-CZ 4.13Å; W301-F360 AromaticContact CZ3-CE2 3.85Å; W301-F360 HydrophobicContact CZ3-CE2 3.85Å; W301-F360 AromaticContact NE1-CE2 3.92Å; W301-F360 AromaticContact NE1-CZ 3.7Å; K302-F360 VanDerWaalsContact O-CE1 3.28Å; K302-F360 WeakPolarHBondContact O-CE1 3.3Å; M303-F360 HydrophobicContact CB-CE1 4.46Å; M303-F360 HydrophobicContact CE-CE2 3.98Å; M303-F360 HydrophobicContact CE-CZ 3.96Å; M303-F360 HydrophobicContact CG-CE1 3.74Å; M303-F360 HydrophobicContact CG-CE2 4.42Å; M303-F360 HydrophobicContact CG-CZ 3.54Å; S307-F360 WeakPolarHBondContact CA-O 3.49Å; S307-F360 WeakPolarHBondContact CB-O 3.47Å; A308-F360 PolarHBondContact N-O 3.38Å; F360-N366 HydrophobicContact CB-CB 4.26Å; F360-N366 HydrophobicContact CD1-CB 3.83Å; F360-N366 HydrophobicContact CG-CB 4.39Å; F360-T369 HydrophobicContact CB-CG2 4.21Å; F360-T369 HydrophobicContact CD2-CG2 4.2Å; F360-T369 HydrophobicContact CG-CG2 4.37Å; F360-M371 HydrophobicContact CD2-CB 4.02Å; F360-M371 HydrophobicContact CD2-CG 4.23Å; F360-M371 HydrophobicContact CD2-SD 3.79Å; F360-M371 HydrophobicContact CE2-CG 4.49Å; F360-M371 HydrophobicContact CE2-SD 3.78Å
361	D	98.4	Very high	96.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-153.7	-172.6	171.9	69.7	2.9	0	0	0	111.5	Q304 A306 R359 S363 N366	Q304-D361 PolarHBondContact N-OD2 3.45Å; Q304-D361 WeakPolarHBondContact O-CB 3.31Å; A306-D361 CarbonylContact O-C 3.55Å; A306-D361 VanDerWaalsContact O-CA 3.24Å; A306-D361 WeakPolarHBondContact O-CA 3.26Å; R359-D361 VanDerWaalsContact C-N 3.28Å; R359-D361 PolarHBondContact O-N 3.29Å; D361-S363 PolarHBondContact O-N 3.22Å; D361-S363 WeakPolarHBondContact OD1-CB 3.43Å; D361-S363 PolarHBondContact OD1-N 3.43Å; D361-S363 PolarHBondContact OD1-OG 2.88Å; D361-S363 PolarHBondContact OD2-OG 3.44Å; D361-N366 WeakPolarHBondContact OD1-CB 3.46Å; D361-N366 PolarHBondContact OD1-ND2 3.17Å; D361-N366 PolarHBondContact OD2-ND2 3.37Å
362	E	97.2	Very high	96.3	Very high	66 Å²	66	36 Å²	36	31%	0.308	20%	0.2	S	C	.	.	S	Bend	trans	-71.2	-15.9	178.9	-71	-172.6	92.1	0	0	113.7	A306 K351 L352 R359 V364	A306-E362 HydrophobicContact CB-CG 4.08Å; A306-E362 PolarHBondContact N-OE2 3.24Å; A306-E362 PolarHBondContact O-N 3.22Å; A306-E362 VanDerWaalsContact O-N 3.15Å; K351-E362 HydrophobicContact CB-CG 4.29Å; K351-E362 WeakPolarHBondContact CG-OE1 3.28Å; L352-E362 HydrophobicContact CD2-CG 4.23Å; R359-E362 VanDerWaalsContact NH2-C 3.34Å; R359-E362 PolarHBondContact NH2-O 3.01Å; E362-V364 PolarHBondContact O-N 3.44Å
363	S	95.9	Very high	96.3	Very high	27 Å²	27	36.2 Å²	36.2	19%	0.189	20%	0.201	C	C	.	.			trans	-62.5	130.9	-177.6	-56.3	0	0	0	0	111.7	Q304 R359 D361 S365 N366 S367	Q304-S363 WeakPolarHBondContact CB-OG 3.33Å; R359-S363 VanDerWaalsContact NH2-C 3.26Å; R359-S363 PolarHBondContact NH2-O 3.35Å; D361-S363 PolarHBondContact O-N 3.22Å; D361-S363 WeakPolarHBondContact OD1-CB 3.43Å; D361-S363 PolarHBondContact OD1-N 3.43Å; D361-S363 PolarHBondContact OD1-OG 2.88Å; D361-S363 PolarHBondContact OD2-OG 3.44Å; S363-S365 VanDerWaalsContact C-N 3.25Å; S363-S365 PolarHBondContact O-N 2.82Å; S363-N366 PolarHBondContact O-N 2.98Å; S363-N366 VanDerWaalsContact O-N 3.17Å; S363-S367 PolarHBondContact O-N 3.18Å
364	V	92.5	Very high	96.4	Very high	121 Å²	121	33 Å²	33	73%	0.733	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-60.9	-37.8	178.3	179	0	0	0	0	111.2	E362 N366 S367	E362-V364 PolarHBondContact O-N 3.44Å; V364-N366 PolarHBondContact O-N 3.16Å; V364-S367 WeakPolarHBondContact O-CB 3.44Å; V364-S367 PolarHBondContact O-N 3.22Å; V364-S367 PolarHBondContact O-OG 3.04Å
365	S	91.8	Very high	96.5	Very high	101 Å²	101	30.6 Å²	30.6	71%	0.706	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-61.2	-25.6	178.9	56	0	0	0	0	114	S363	S363-S365 VanDerWaalsContact C-N 3.25Å; S363-S365 PolarHBondContact O-N 2.82Å
366	N	92.6	Very high	96.7	Very high	23 Å²	23	28.5 Å²	28.5	12%	0.123	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-105.2	6.4	-175.9	-56.3	-16.3	0	0	0	112.1	F360 D361 S363 V364 E368 T369	F360-N366 HydrophobicContact CB-CB 4.26Å; F360-N366 HydrophobicContact CD1-CB 3.83Å; F360-N366 HydrophobicContact CG-CB 4.39Å; D361-N366 WeakPolarHBondContact OD1-CB 3.46Å; D361-N366 PolarHBondContact OD1-ND2 3.17Å; D361-N366 PolarHBondContact OD2-ND2 3.37Å; S363-N366 PolarHBondContact O-N 2.98Å; S363-N366 VanDerWaalsContact O-N 3.17Å; V364-N366 PolarHBondContact O-N 3.16Å; N366-E368 PolarHBondContact O-N 3.01Å; N366-E368 VanDerWaalsContact O-N 3.16Å; N366-T369 PolarHBondContact O-N 2.78Å
367	S	91.6	Very high	96.9	Very high	33 Å²	33	25.4 Å²	25.4	23%	0.231	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.3	-175.6	56.9	0	0	0	0	113.8	Q354 S363 V364	Q354-S367 PolarHBondContact NE2-O 3.5Å; Q354-S367 PolarHBondContact OE1-O 2.93Å; S363-S367 PolarHBondContact O-N 3.18Å; V364-S367 WeakPolarHBondContact O-CB 3.44Å; V364-S367 PolarHBondContact O-N 3.22Å; V364-S367 PolarHBondContact O-OG 3.04Å
368	E	94.7	Very high	96.9	Very high	100 Å²	100	25.9 Å²	25.9	47%	0.467	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-5.5	178.2	-56	-162.7	146.4	0	0	113.9	N366 V370 L423 L424	N366-E368 PolarHBondContact O-N 3.01Å; N366-E368 VanDerWaalsContact O-N 3.16Å; E368-V370 PolarHBondContact O-N 2.81Å; E368-L423 HydrophobicContact CB-CD2 4.42Å; E368-L423 CarbonylContact O-C 3.36Å; E368-L423 WeakPolarHBondContact O-CA 3.47Å; E368-L424 HydrophobicContact CB-CB 4.33Å; E368-L424 HydrophobicContact CB-CD1 3.99Å; E368-L424 HydrophobicContact CB-CG 4.15Å; E368-L424 HydrophobicContact CG-CD1 4.11Å; E368-L424 WeakPolarHBondContact O-CG 3.48Å; E368-L424 PolarHBondContact O-N 3.16Å; E368-L424 VanDerWaalsContact O-N 3.09Å
369	T	98.1	Very high	96.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	114.3	-177.4	-65.1	0	0	0	0	110.6	W301 F357 F360 N366 L423 D429	W301-T369 HydrophobicContact CH2-CG2 4.22Å; W301-T369 HydrophobicContact CZ2-CG2 3.78Å; F357-T369 VanDerWaalsContact CE2-O 3.31Å; F357-T369 WeakPolarHBondContact CE2-O 3.28Å; F360-T369 HydrophobicContact CB-CG2 4.21Å; F360-T369 HydrophobicContact CD2-CG2 4.2Å; F360-T369 HydrophobicContact CG-CG2 4.37Å; N366-T369 PolarHBondContact O-N 2.78Å; T369-L423 WeakPolarHBondContact OG1-CD2 3.49Å; T369-D429 HydrophobicContact CG2-CB 4.24Å; T369-D429 WeakPolarHBondContact CG2-OD2 3.45Å; T369-D429 PolarHBondContact OG1-OD2 3.35Å
370	V	98.6	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	113	167.1	-170.3	0	0	0	0	108.6	F357 E368 T402 I403 Y406 N407 M422 L424	F357-V370 HydrophobicContact CD1-CG2 4.23Å; F357-V370 HydrophobicContact CD2-CB 4.35Å; F357-V370 HydrophobicContact CD2-CG1 4.14Å; F357-V370 HydrophobicContact CD2-CG2 4.16Å; F357-V370 HydrophobicContact CE1-CG2 3.83Å; F357-V370 HydrophobicContact CE2-CB 4.12Å; F357-V370 HydrophobicContact CE2-CG1 4.41Å; F357-V370 HydrophobicContact CE2-CG2 3.79Å; F357-V370 HydrophobicContact CG-CG1 4.47Å; F357-V370 HydrophobicContact CG-CG2 4.37Å; F357-V370 HydrophobicContact CZ-CB 4.36Å; F357-V370 HydrophobicContact CZ-CG2 3.55Å; E368-V370 PolarHBondContact O-N 2.81Å; V370-T402 HydrophobicContact CG1-CG2 4.24Å; V370-T402 HydrophobicContact CG2-CG2 4.17Å; V370-I403 HydrophobicContact CG1-CG1 3.95Å; V370-Y406 HydrophobicContact CG2-CG 4.49Å; V370-N407 WeakPolarHBondContact CB-OD1 3.49Å; V370-N407 WeakPolarHBondContact CG1-OD1 3.46Å; V370-N407 PolarHBondContact O-ND2 3Å; V370-M422 WeakPolarHBondContact CB-O 3.29Å; V370-M422 PolarHBondContact N-O 3.07Å; V370-M422 PolarHBondContact O-N 2.86Å; V370-L424 HydrophobicContact CG2-CD2 4.23Å
371	M	98.8	Very high	97	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.4	174.4	-170.6	177.3	178.8	0	0	111	Y298 W301 M303 Y309 F360 D373 Q374 N420	Y298-M371 HydrophobicContact CD2-CE 3.66Å; Y298-M371 HydrophobicContact CE1-CE 4.18Å; Y298-M371 HydrophobicContact CE2-CE 3.27Å; Y298-M371 HydrophobicContact CG-CE 4.3Å; W301-M371 HydrophobicContact CH2-CG 4.18Å; W301-M371 HydrophobicContact CZ3-CE 4.24Å; W301-M371 HydrophobicContact CZ3-CG 4.07Å; W301-M371 HydrophobicContact CZ3-SD 4.44Å; M303-M371 HydrophobicContact CE-CE 3.69Å; M303-M371 HydrophobicContact CE-SD 3.95Å; Y309-M371 HydrophobicContact CD2-CE 4.1Å; Y309-M371 HydrophobicContact CG-CE 4.06Å; F360-M371 HydrophobicContact CD2-CB 4.02Å; F360-M371 HydrophobicContact CD2-CG 4.23Å; F360-M371 HydrophobicContact CD2-SD 3.79Å; F360-M371 HydrophobicContact CE2-CG 4.49Å; F360-M371 HydrophobicContact CE2-SD 3.78Å; M371-D373 VanDerWaalsContact C-N 3.26Å; M371-D373 HydrophobicContact CE-CB 4.08Å; M371-D373 PolarHBondContact O-N 2.95Å; M371-Q374 HydrophobicContact CB-CB 4.01Å; M371-Q374 WeakPolarHBondContact O-CB 3.41Å; M371-Q374 PolarHBondContact O-N 3.4Å; M371-Q374 PolarHBondContact O-NE2 2.83Å; M371-N420 CarbonylContact C-O 3.58Å; M371-N420 VanDerWaalsContact CA-O 3.32Å; M371-N420 WeakPolarHBondContact CA-O 3.14Å
372	A	98.9	Very high	96.9	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.017	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-34	178.1	0	0	0	0	0	112.6	I403 A418 N420 V442 L446	A372-I403 HydrophobicContact CB-CG2 4.41Å; A372-A418 HydrophobicContact CB-CB 4.11Å; A372-N420 PolarHBondContact N-O 3.19Å; A372-V442 HydrophobicContact CB-CG1 4.48Å; A372-L446 HydrophobicContact CB-CD2 4.41Å
373	D	98.8	Very high	97	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.032	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	19	-175	-150.7	8	0	0	0	113	Y162 Y298 Y309 M371 L375 C376 V442	Y162-D373 PolarHBondContact OH-OD2 3.03Å; Y298-D373 HydrophobicContact CE2-CB 4.46Å; Y298-D373 WeakPolarHBondContact OH-CB 3.29Å; Y298-D373 PolarHBondContact OH-OD2 2.86Å; Y298-D373 VanDerWaalsContact OH-OD2 3.06Å; Y309-D373 HydrophobicContact CD2-CB 4.24Å; Y309-D373 WeakPolarHBondContact CD2-O 3.29Å; Y309-D373 HydrophobicContact CE2-CB 4.39Å; Y309-D373 VanDerWaalsContact CE2-OD2 3.28Å; Y309-D373 WeakPolarHBondContact CE2-OD2 3.2Å; M371-D373 VanDerWaalsContact C-N 3.26Å; M371-D373 HydrophobicContact CE-CB 4.08Å; M371-D373 PolarHBondContact O-N 2.95Å; D373-L375 PolarHBondContact O-N 2.77Å; D373-C376 WeakPolarHBondContact O-CB 3.3Å; D373-C376 PolarHBondContact O-N 2.94Å; D373-C376 WeakPolarHBondContact OD1-CB 3.5Å; D373-C376 PolarHBondContact OD1-SG 2.86Å; D373-C376 VanDerWaalsContact OD1-SG 3.39Å; D373-V442 HydrophobicContact CB-CG1 3.87Å
374	Q	98.6	Very high	97	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.6	-170.9	83	-169.8	-118.1	0	0	114.2	A308 Y358 M371 I403	A308-Q374 CarbonylContact C-O 3.26Å; A308-Q374 HydrophobicContact CB-CB 3.75Å; A308-Q374 WeakPolarHBondContact CB-O 3.32Å; Y358-Q374 PolarHBondContact O-OE1 2.92Å; M371-Q374 HydrophobicContact CB-CB 4.01Å; M371-Q374 WeakPolarHBondContact O-CB 3.41Å; M371-Q374 PolarHBondContact O-N 3.4Å; M371-Q374 PolarHBondContact O-NE2 2.83Å; Q374-I403 HydrophobicContact CG-CD1 4.03Å
375	L	98.7	Very high	97.2	Very high	4 Å²	4	19 Å²	19	2%	0.021	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	32.4	179.7	-67.6	-175.4	0	0	0	111.6	Y358 D373 G377 Y378 S379 L391 V396	Y358-L375 HydrophobicContact CD2-CD2 3.68Å; Y358-L375 HydrophobicContact CD2-CG 4.4Å; Y358-L375 HydrophobicContact CE2-CD2 3.95Å; Y358-L375 HydrophobicContact CG-CD2 4.42Å; D373-L375 PolarHBondContact O-N 2.77Å; L375-G377 PolarHBondContact O-N 3.47Å; L375-Y378 PolarHBondContact O-N 3.25Å; L375-S379 WeakPolarHBondContact O-CB 3.3Å; L375-S379 PolarHBondContact O-N 3.42Å; L375-S379 PolarHBondContact O-OG 3.23Å; L375-L391 HydrophobicContact CD2-CD1 3.84Å; L375-V396 HydrophobicContact CD1-CB 4.47Å; L375-V396 HydrophobicContact CD1-CG1 4.27Å; L375-V396 HydrophobicContact CD1-CG2 4.4Å
376	C	98.7	Very high	97.4	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-51.1	-54.6	-177.1	-169.9	0	0	0	0	112.8	Y309 S312 D373 S379 Y380	Y309-C376 HydrophobicContact CD2-CB 3.65Å; Y309-C376 HydrophobicContact CE2-CB 3.5Å; Y309-C376 VanDerWaalsContact CE2-CB 3.5Å; S312-C376 PolarHBondContact OG-N 3.41Å; D373-C376 WeakPolarHBondContact O-CB 3.3Å; D373-C376 PolarHBondContact O-N 2.94Å; D373-C376 WeakPolarHBondContact OD1-CB 3.5Å; D373-C376 PolarHBondContact OD1-SG 2.86Å; D373-C376 VanDerWaalsContact OD1-SG 3.39Å; C376-S379 WeakPolarHBondContact O-CB 3.48Å; C376-S379 PolarHBondContact O-N 3.13Å; C376-Y380 PolarHBondContact O-N 3.32Å
377	G	98.6	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.3	-40.2	-177.5	0	0	0	0	0	113.6	S312 L375 S379 Y380 V381	S312-G377 WeakPolarHBondContact O-CA 3.43Å; S312-G377 PolarHBondContact OG-N 3.2Å; L375-G377 PolarHBondContact O-N 3.47Å; G377-S379 VanDerWaalsContact C-N 3.3Å; G377-S379 PolarHBondContact O-N 3.04Å; G377-Y380 PolarHBondContact O-N 3.01Å; G377-V381 WeakPolarHBondContact O-CG2 3.5Å; G377-V381 PolarHBondContact O-N 3.04Å
378	Y	98.5	Very high	97.7	Very high	11 Å²	11	18 Å²	18	4%	0.043	11%	0.11	C	C	.	.	H	α-helix	trans	-56.6	-47.5	171.6	169.7	-87.8	0	0	0	111	L375 Y380 V381 K382 L390 L391 V396 E453	L375-Y378 PolarHBondContact O-N 3.25Å; Y378-Y380 VanDerWaalsContact C-N 3.3Å; Y378-Y380 PolarHBondContact O-N 3.35Å; Y378-V381 PolarHBondContact O-N 2.73Å; Y378-K382 HydrophobicContact CE1-CB 4.29Å; Y378-K382 WeakPolarHBondContact O-CB 3.36Å; Y378-K382 PolarHBondContact O-N 3.14Å; Y378-L390 HydrophobicContact CD2-CB 4.38Å; Y378-L390 HydrophobicContact CD2-CD2 3.98Å; Y378-L390 HydrophobicContact CE2-CB 4.45Å; Y378-L391 HydrophobicContact CD2-CB 3.92Å; Y378-L391 HydrophobicContact CD2-CD1 3.74Å; Y378-L391 HydrophobicContact CD2-CG 3.88Å; Y378-L391 HydrophobicContact CE2-CB 4.01Å; Y378-L391 HydrophobicContact CE2-CG 4.47Å; Y378-L391 HydrophobicContact CG-CD1 4.01Å; Y378-V396 HydrophobicContact CD1-CG1 4.07Å; Y378-V396 HydrophobicContact CD1-CG2 4.34Å; Y378-V396 HydrophobicContact CD2-CG2 4.27Å; Y378-V396 HydrophobicContact CE1-CB 4.29Å; Y378-V396 HydrophobicContact CE1-CG1 3.38Å; Y378-V396 HydrophobicContact CE1-CG2 3.92Å; Y378-V396 HydrophobicContact CE2-CG2 3.82Å; Y378-E453 PolarHBondContact OH-OE1 3.26Å
379	S	98.5	Very high	97.5	Very high	7 Å²	7	16.5 Å²	16.5	5%	0.049	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-38.6	-177.4	-55.7	0	0	0	0	111.3	L375 C376 G377 K382 L383 A449	L375-S379 WeakPolarHBondContact O-CB 3.3Å; L375-S379 PolarHBondContact O-N 3.42Å; L375-S379 PolarHBondContact O-OG 3.23Å; C376-S379 WeakPolarHBondContact O-CB 3.48Å; C376-S379 PolarHBondContact O-N 3.13Å; G377-S379 VanDerWaalsContact C-N 3.3Å; G377-S379 PolarHBondContact O-N 3.04Å; S379-K382 WeakPolarHBondContact O-CB 3.41Å; S379-K382 PolarHBondContact O-N 2.73Å; S379-L383 VanDerWaalsContact O-CG 3.28Å; S379-L383 WeakPolarHBondContact O-CG 3.38Å; S379-L383 PolarHBondContact O-N 2.82Å; S379-A449 WeakPolarHBondContact OG-CB 3.19Å
380	Y	98.7	Very high	97.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.3	-47.2	176.4	-149	-84.4	0	0	0	111.9	F161 F165 L246 T247 R250 C376 G377 Y378 K382 L383 C384 F445	F161-Y380 HydrophobicContact CD1-CD2 4.33Å; F161-Y380 HydrophobicContact CD1-CE2 4.09Å; F161-Y380 HydrophobicContact CD2-CD2 4.15Å; F161-Y380 AromaticContact CD2-CE2 3.64Å; F161-Y380 HydrophobicContact CD2-CE2 3.64Å; F161-Y380 AromaticContact CD2-CZ 3.9Å; F161-Y380 AromaticContact CE1-CD2 3.53Å; F161-Y380 HydrophobicContact CE1-CD2 3.53Å; F161-Y380 AromaticContact CE1-CE2 3.75Å; F161-Y380 HydrophobicContact CE1-CE2 3.75Å; F161-Y380 HydrophobicContact CE1-CG 4.47Å; F161-Y380 HydrophobicContact CE2-CD1 4.13Å; F161-Y380 AromaticContact CE2-CD2 3.33Å; F161-Y380 HydrophobicContact CE2-CD2 3.33Å; F161-Y380 HydrophobicContact CE2-CE1 4.07Å; F161-Y380 AromaticContact CE2-CE2 3.28Å; F161-Y380 HydrophobicContact CE2-CE2 3.28Å; F161-Y380 AromaticContact CE2-CG 3.74Å; F161-Y380 HydrophobicContact CE2-CG 3.74Å; F161-Y380 AromaticContact CE2-CZ 3.65Å; F161-Y380 HydrophobicContact CG-CE2 4.06Å; F161-Y380 HydrophobicContact CZ-CD1 4.38Å; F161-Y380 AromaticContact CZ-CD2 2.98Å; F161-Y380 HydrophobicContact CZ-CD2 2.98Å; F161-Y380 AromaticContact CZ-CE2 3.37Å; F161-Y380 HydrophobicContact CZ-CE2 3.37Å; F161-Y380 AromaticContact CZ-CG 3.55Å; F161-Y380 HydrophobicContact CZ-CG 3.55Å; F161-Y380 WeakPolarHBondContact O-CE2 3.47Å; F161-Y380 PolarHBondContact O-OH 3.42Å; F165-Y380 HydrophobicContact CE2-CD2 4.01Å; F165-Y380 AromaticContact CE2-CE2 3.38Å; F165-Y380 HydrophobicContact CE2-CE2 3.38Å; F165-Y380 AromaticContact CE2-CZ 3.88Å; F165-Y380 AromaticContact CZ-CD2 3.92Å; F165-Y380 HydrophobicContact CZ-CD2 3.92Å; F165-Y380 HydrophobicContact CZ-CE1 4.28Å; F165-Y380 AromaticContact CZ-CE2 3.5Å; F165-Y380 HydrophobicContact CZ-CE2 3.5Å; F165-Y380 HydrophobicContact CZ-CG 4.48Å; F165-Y380 AromaticContact CZ-CZ 3.72Å; L246-Y380 HydrophobicContact CB-CD1 3.86Å; L246-Y380 HydrophobicContact CB-CE1 4.11Å; L246-Y380 HydrophobicContact CB-CG 4.49Å; L246-Y380 HydrophobicContact CD2-CD1 4.4Å; T247-Y380 PolarHBondContact OG1-OH 3.07Å; R250-Y380 HydrophobicContact CB-CE1 4.01Å; R250-Y380 PolarHBondContact NH1-OH 2.82Å; C376-Y380 PolarHBondContact O-N 3.32Å; G377-Y380 PolarHBondContact O-N 3.01Å; Y378-Y380 VanDerWaalsContact C-N 3.3Å; Y378-Y380 PolarHBondContact O-N 3.35Å; Y380-K382 VanDerWaalsContact C-N 3.28Å; Y380-K382 PolarHBondContact O-N 3Å; Y380-L383 WeakPolarHBondContact O-CB 3.32Å; Y380-L383 PolarHBondContact O-N 3.42Å; Y380-L383 VanDerWaalsContact O-N 3.13Å; Y380-C384 PolarHBondContact O-N 3.12Å; Y380-C384 PolarHBondContact O-SG 3.5Å; Y380-C384 VanDerWaalsContact O-SG 3.4Å; Y380-F445 AromaticContact CD2-CE2 3.78Å; Y380-F445 HydrophobicContact CD2-CE2 3.78Å; Y380-F445 AromaticContact CD2-CZ 3.6Å; Y380-F445 HydrophobicContact CD2-CZ 3.6Å; Y380-F445 HydrophobicContact CE2-CE2 4.33Å; Y380-F445 HydrophobicContact CG-CZ 4.3Å
381	V	98.1	Very high	97.2	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-33.7	176	175.6	0	0	0	0	111.8	L246 R319 G377 Y378 C384 G385 I386 L390	L246-V381 HydrophobicContact CD2-CG2 3.33Å; R319-V381 HydrophobicContact CB-CG1 4.49Å; R319-V381 HydrophobicContact CG-CG1 3.8Å; G377-V381 WeakPolarHBondContact O-CG2 3.5Å; G377-V381 PolarHBondContact O-N 3.04Å; Y378-V381 PolarHBondContact O-N 2.73Å; V381-C384 CarbonylContact O-C 2.94Å; V381-C384 PolarHBondContact O-N 3.36Å; V381-G385 PolarHBondContact O-N 2.74Å; V381-I386 HydrophobicContact CG1-CB 4.33Å; V381-I386 HydrophobicContact CG1-CD1 3.89Å; V381-I386 HydrophobicContact CG1-CG1 3.62Å; V381-I386 VanDerWaalsContact CG1-O 3.31Å; V381-I386 WeakPolarHBondContact CG1-O 3.11Å; V381-I386 PolarHBondContact O-N 3.22Å; V381-I386 VanDerWaalsContact O-N 3.14Å; V381-L390 HydrophobicContact CB-CD2 4.31Å; V381-L390 HydrophobicContact CG1-CD2 4.08Å
382	K	97.8	Very high	97.1	Very high	58 Å²	58	19.6 Å²	19.6	25%	0.252	15%	0.145	S	C	.	.	H	α-helix	trans	-61.1	-46.2	171.6	176.3	69.1	177.5	-144.7	0	111.4	Y378 S379 Y380 C384 G385 S387 A452 E453	Y378-K382 HydrophobicContact CE1-CB 4.29Å; Y378-K382 WeakPolarHBondContact O-CB 3.36Å; Y378-K382 PolarHBondContact O-N 3.14Å; S379-K382 WeakPolarHBondContact O-CB 3.41Å; S379-K382 PolarHBondContact O-N 2.73Å; Y380-K382 VanDerWaalsContact C-N 3.28Å; Y380-K382 PolarHBondContact O-N 3Å; K382-C384 PolarHBondContact O-N 3.18Å; K382-G385 PolarHBondContact O-N 2.94Å; K382-S387 WeakPolarHBondContact CD-OG 3.25Å; K382-A452 WeakPolarHBondContact CE-O 3.44Å; K382-A452 HydrophobicContact CG-CB 3.81Å; K382-E453 WeakPolarHBondContact CD-OE1 3.41Å; K382-E453 WeakPolarHBondContact CE-OE1 3.36Å; K382-E453 IonicContact NZ-OE1 2.94Å; K382-E453 PolarHBondContact NZ-OE1 2.8Å
383	L	97.7	Very high	96.9	Very high	2 Å²	2	25 Å²	25	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-23.6	176.2	-68	171.4	0	0	0	112.8	F165 S379 Y380 G385 F445 A448 A452 A503 W506 N507 R511	F165-L383 HydrophobicContact CE1-CB 4.34Å; F165-L383 HydrophobicContact CE1-CD1 4.19Å; F165-L383 HydrophobicContact CE2-CD1 4.49Å; F165-L383 HydrophobicContact CZ-CB 4.45Å; F165-L383 HydrophobicContact CZ-CD1 3.81Å; S379-L383 VanDerWaalsContact O-CG 3.28Å; S379-L383 WeakPolarHBondContact O-CG 3.38Å; S379-L383 PolarHBondContact O-N 2.82Å; Y380-L383 WeakPolarHBondContact O-CB 3.32Å; Y380-L383 PolarHBondContact O-N 3.42Å; Y380-L383 VanDerWaalsContact O-N 3.13Å; L383-G385 VanDerWaalsContact C-N 3.35Å; L383-F445 HydrophobicContact CD1-CD2 4.37Å; L383-F445 HydrophobicContact CD1-CE2 3.56Å; L383-F445 HydrophobicContact CD1-CZ 4.06Å; L383-A448 HydrophobicContact CD1-CB 4.37Å; L383-A448 HydrophobicContact CD2-CB 4.41Å; L383-A452 HydrophobicContact CD2-CB 4.3Å; L383-A503 HydrophobicContact CD1-CB 4.21Å; L383-W506 PolarHBondContact O-NE1 3.16Å; L383-N507 HydrophobicContact CD2-CB 3.68Å; L383-R511 PolarHBondContact O-NH1 3.28Å; L383-R511 VanDerWaalsContact O-NH1 3.1Å; L383-R511 PolarHBondContact O-NH2 3.15Å
384	C	97.1	Very high	96.9	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.027	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.8	171	-63.3	0	0	0	0	114.1	Y249 I253 Y380 V381 K382 I386	Y249-C384 HydrophobicContact CD1-CB 3.88Å; Y249-C384 HydrophobicContact CE1-CB 4.2Å; I253-C384 HydrophobicContact CD1-CB 3.97Å; I253-C384 WeakPolarHBondContact CD1-O 3.34Å; Y380-C384 PolarHBondContact O-N 3.12Å; Y380-C384 PolarHBondContact O-SG 3.5Å; Y380-C384 VanDerWaalsContact O-SG 3.4Å; V381-C384 CarbonylContact O-C 2.94Å; V381-C384 PolarHBondContact O-N 3.36Å; K382-C384 PolarHBondContact O-N 3.18Å; C384-I386 VanDerWaalsContact C-N 3.32Å; C384-I386 HydrophobicContact CB-CD1 4.48Å; C384-I386 HydrophobicContact CB-CG1 3.88Å; C384-I386 PolarHBondContact O-N 2.94Å
385	G	95.9	Very high	96.9	Very high	46 Å²	46	35.7 Å²	35.7	47%	0.474	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	8.9	177.5	0	0	0	0	0	115.2	V381 K382 L383	V381-G385 PolarHBondContact O-N 2.74Å; K382-G385 PolarHBondContact O-N 2.94Å; L383-G385 VanDerWaalsContact C-N 3.35Å
386	I	97	Very high	96.9	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.082	22%	0.216	C	C	.	.			trans	-118.2	26.4	-172.3	49	151.5	0	0	0	113.3	Y249 R319 V320 K323 V381 C384	Y249-I386 HydrophobicContact CD1-CD1 3.47Å; Y249-I386 VanDerWaalsContact CD1-CD1 3.47Å; Y249-I386 HydrophobicContact CD1-CG1 4.05Å; Y249-I386 HydrophobicContact CE1-CB 4.36Å; Y249-I386 HydrophobicContact CE1-CD1 3.36Å; Y249-I386 HydrophobicContact CE1-CG1 3.66Å; Y249-I386 HydrophobicContact CE1-CG2 3.77Å; Y249-I386 HydrophobicContact CE2-CD1 4.48Å; Y249-I386 HydrophobicContact CG-CD1 4.09Å; Y249-I386 WeakPolarHBondContact OH-CG2 3.39Å; R319-I386 WeakPolarHBondContact CD-O 3.48Å; R319-I386 HydrophobicContact CG-CD1 4.22Å; R319-I386 VanDerWaalsContact CG-O 3.29Å; R319-I386 WeakPolarHBondContact CG-O 3.31Å; R319-I386 PolarHBondContact NH1-O 3.41Å; V320-I386 HydrophobicContact CG2-CD1 4.05Å; K323-I386 HydrophobicContact CD-CG2 4.25Å; K323-I386 HydrophobicContact CG-CG2 4.02Å; V381-I386 HydrophobicContact CG1-CB 4.33Å; V381-I386 HydrophobicContact CG1-CD1 3.89Å; V381-I386 HydrophobicContact CG1-CG1 3.62Å; V381-I386 VanDerWaalsContact CG1-O 3.31Å; V381-I386 WeakPolarHBondContact CG1-O 3.11Å; V381-I386 PolarHBondContact O-N 3.22Å; V381-I386 VanDerWaalsContact O-N 3.14Å; C384-I386 VanDerWaalsContact C-N 3.32Å; C384-I386 HydrophobicContact CB-CD1 4.48Å; C384-I386 HydrophobicContact CB-CG1 3.88Å; C384-I386 PolarHBondContact O-N 2.94Å
387	S	96	Very high	96.8	Very high	14 Å²	14	39.2 Å²	39.2	10%	0.098	23%	0.232	C	C	.	.			trans	-88.4	-4.9	-177.9	60.3	0	0	0	0	115.2	K382 G389 L390	K382-S387 WeakPolarHBondContact CD-OG 3.25Å; S387-G389 PolarHBondContact O-N 3.41Å; S387-L390 WeakPolarHBondContact O-CB 3.48Å; S387-L390 PolarHBondContact O-N 2.72Å
388	S	93.6	Very high	96.8	Very high	104 Å²	104	46 Å²	46	73%	0.727	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	126.5	-175.9	-172.8	0	0	0	0	111.4	R319 L390	R319-S388 VanDerWaalsContact CZ-O 3.28Å; R319-S388 PolarHBondContact NH1-O 2.89Å; R319-S388 PolarHBondContact NH2-O 3.2Å; S388-L390 PolarHBondContact O-N 2.69Å
389	G	90	Very high	96.8	Very high	69 Å²	69	45.5 Å²	45.5	71%	0.711	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	5.2	-178.3	0	0	0	0	0	116.1	S387	S387-G389 PolarHBondContact O-N 3.41Å
390	L	94.8	Very high	96.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-53.4	-177.7	-163.2	71.2	0	0	0	112.8	I315 R319 L341 I345 Y378 V381 S387 S388	I315-L390 HydrophobicContact CG2-CD1 3.53Å; I315-L390 HydrophobicContact CG2-CD2 4.03Å; I315-L390 HydrophobicContact CG2-CG 3.62Å; R319-L390 HydrophobicContact CB-CD1 3.64Å; R319-L390 HydrophobicContact CG-CD1 4.06Å; L341-L390 HydrophobicContact CD1-CD1 3.76Å; L341-L390 HydrophobicContact CD2-CD1 4.01Å; L341-L390 HydrophobicContact CG-CD1 4.4Å; I345-L390 HydrophobicContact CD1-CD1 4.35Å; I345-L390 WeakPolarHBondContact CD1-O 3.24Å; I345-L390 WeakPolarHBondContact CG1-O 3.2Å; Y378-L390 HydrophobicContact CD2-CB 4.38Å; Y378-L390 HydrophobicContact CD2-CD2 3.98Å; Y378-L390 HydrophobicContact CE2-CB 4.45Å; V381-L390 HydrophobicContact CB-CD2 4.31Å; V381-L390 HydrophobicContact CG1-CD2 4.08Å; S387-L390 WeakPolarHBondContact O-CB 3.48Å; S387-L390 PolarHBondContact O-N 2.72Å; S388-L390 PolarHBondContact O-N 2.69Å
391	L	96.5	Very high	96.8	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.073	27%	0.268	C	S	.	.	S	Bend	trans	-131.7	149.3	173.4	-66.2	179.6	0	0	0	108.9	I345 F348 L375 Y378 E393 V396	I345-L391 HydrophobicContact CG2-CD2 4.34Å; F348-L391 HydrophobicContact CD1-CD2 4.21Å; F348-L391 HydrophobicContact CE1-CD1 4.43Å; F348-L391 HydrophobicContact CE1-CD2 4.4Å; L375-L391 HydrophobicContact CD2-CD1 3.84Å; Y378-L391 HydrophobicContact CD2-CB 3.92Å; Y378-L391 HydrophobicContact CD2-CD1 3.74Å; Y378-L391 HydrophobicContact CD2-CG 3.88Å; Y378-L391 HydrophobicContact CE2-CB 4.01Å; Y378-L391 HydrophobicContact CE2-CG 4.47Å; Y378-L391 HydrophobicContact CG-CD1 4.01Å; L391-E393 PolarHBondContact O-N 2.95Å; L391-V396 HydrophobicContact CB-CG2 3.66Å; L391-V396 HydrophobicContact CD1-CG2 4.31Å
392	A	96.3	Very high	96.9	Very high	51 Å²	51	48.8 Å²	48.8	42%	0.421	27%	0.27	S	S	.	.			trans	-60.9	121.9	178.4	0	0	0	0	0	110.6	K394 K395 V396	A392-K394 PolarHBondContact O-N 3.46Å; A392-K394 VanDerWaalsContact O-N 3.09Å; A392-K395 HydrophobicContact CB-CB 4.39Å; A392-K395 HydrophobicContact CB-CD 4.2Å; A392-K395 HydrophobicContact CB-CG 4.06Å; A392-K395 WeakPolarHBondContact O-CA 3.42Å; A392-K395 WeakPolarHBondContact O-CB 3.38Å; A392-K395 PolarHBondContact O-N 3.5Å; A392-V396 PolarHBondContact O-N 3.28Å; A392-V396 VanDerWaalsContact O-N 3.07Å
393	E	96	Very high	96.9	Very high	117 Å²	117	46.1 Å²	46.1	55%	0.547	26%	0.258	S	S	.	.	H	α-helix	trans	-50.7	-41.3	-176.7	-172.9	-170.7	158.8	0	0	112.4	L391 K395 V396 K397	L391-E393 PolarHBondContact O-N 2.95Å; E393-K395 VanDerWaalsContact C-N 3.31Å; E393-K395 PolarHBondContact O-N 3.45Å; E393-V396 PolarHBondContact O-N 3.48Å; E393-K397 HydrophobicContact CG-CD 4.07Å; E393-K397 HydrophobicContact CG-CG 4.44Å; E393-K397 WeakPolarHBondContact O-CB 3.39Å; E393-K397 WeakPolarHBondContact O-CG 3.22Å; E393-K397 PolarHBondContact O-N 3Å; E393-K397 VanDerWaalsContact OE1-CE 3.26Å; E393-K397 WeakPolarHBondContact OE1-CE 3.15Å; E393-K397 IonicContact OE1-NZ 2.67Å; E393-K397 PolarHBondContact OE1-NZ 2.94Å
394	K	97.4	Very high	97	Very high	187 Å²	187	47 Å²	47	81%	0.813	26%	0.262	S	S	*	.	H	α-helix	trans	-60.3	-38.9	176.8	-174.3	179.1	178.5	-177.8	0	112.6	A392 R398	A392-K394 PolarHBondContact O-N 3.46Å; A392-K394 VanDerWaalsContact O-N 3.09Å; K394-R398 WeakPolarHBondContact O-CB 3.46Å; K394-R398 PolarHBondContact O-N 3.38Å; K394-R398 VanDerWaalsContact O-N 3.13Å
395	K	98.3	Very high	97	Very high	42 Å²	42	49.5 Å²	49.5	18%	0.183	27%	0.274	C	S	.	.	H	α-helix	trans	-70.8	-46.6	177.7	-65.2	-174.1	176.6	-178.8	0	110.4	D349 W353 Y358 A392 E393 R398 S399	D349-K395 IonicContact OD1-NZ 2.64Å; D349-K395 PolarHBondContact OD1-NZ 3.41Å; D349-K395 IonicContact OD2-NZ 3.67Å; D349-K395 PolarHBondContact OD2-NZ 3.26Å; W353-K395 HydrophobicContact CD2-CD 3.78Å; W353-K395 HydrophobicContact CD2-CG 4.1Å; W353-K395 HydrophobicContact CE3-CB 4.19Å; W353-K395 HydrophobicContact CE3-CD 4.14Å; W353-K395 HydrophobicContact CE3-CG 4.24Å; W353-K395 HydrophobicContact CG-CD 4.09Å; W353-K395 HydrophobicContact CH2-CB 3.9Å; W353-K395 HydrophobicContact CH2-CG 3.9Å; W353-K395 HydrophobicContact CZ2-CB 4.27Å; W353-K395 HydrophobicContact CZ2-CD 4.3Å; W353-K395 HydrophobicContact CZ2-CG 3.74Å; W353-K395 HydrophobicContact CZ3-CB 3.86Å; W353-K395 HydrophobicContact CZ3-CG 4.15Å; Y358-K395 HydrophobicContact CE2-CB 4.39Å; Y358-K395 WeakPolarHBondContact OH-CD 3.31Å; A392-K395 HydrophobicContact CB-CB 4.39Å; A392-K395 HydrophobicContact CB-CD 4.2Å; A392-K395 HydrophobicContact CB-CG 4.06Å; A392-K395 WeakPolarHBondContact O-CA 3.42Å; A392-K395 WeakPolarHBondContact O-CB 3.38Å; A392-K395 PolarHBondContact O-N 3.5Å; E393-K395 VanDerWaalsContact C-N 3.31Å; E393-K395 PolarHBondContact O-N 3.45Å; K395-R398 PolarHBondContact O-N 3.26Å; K395-S399 PolarHBondContact O-N 3.16Å; K395-S399 PolarHBondContact O-OG 3.42Å
396	V	98.4	Very high	97.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.5	-56	177	173.5	0	0	0	0	111	L375 Y378 L391 A392 E393 R398 S399 L400 E453	L375-V396 HydrophobicContact CD1-CB 4.47Å; L375-V396 HydrophobicContact CD1-CG1 4.27Å; L375-V396 HydrophobicContact CD1-CG2 4.4Å; Y378-V396 HydrophobicContact CD1-CG1 4.07Å; Y378-V396 HydrophobicContact CD1-CG2 4.34Å; Y378-V396 HydrophobicContact CD2-CG2 4.27Å; Y378-V396 HydrophobicContact CE1-CB 4.29Å; Y378-V396 HydrophobicContact CE1-CG1 3.38Å; Y378-V396 HydrophobicContact CE1-CG2 3.92Å; Y378-V396 HydrophobicContact CE2-CG2 3.82Å; L391-V396 HydrophobicContact CB-CG2 3.66Å; L391-V396 HydrophobicContact CD1-CG2 4.31Å; A392-V396 PolarHBondContact O-N 3.28Å; A392-V396 VanDerWaalsContact O-N 3.07Å; E393-V396 PolarHBondContact O-N 3.48Å; V396-R398 PolarHBondContact O-N 3.43Å; V396-S399 WeakPolarHBondContact O-CB 3.5Å; V396-S399 PolarHBondContact O-N 3.35Å; V396-S399 VanDerWaalsContact O-N 3.13Å; V396-L400 HydrophobicContact CG1-CD1 4.04Å; V396-L400 HydrophobicContact CG1-CG 4.47Å; V396-L400 WeakPolarHBondContact O-CG 3.22Å; V396-L400 PolarHBondContact O-N 2.81Å; V396-E453 HydrophobicContact CG1-CG 3.92Å
397	K	98.1	Very high	97.2	Very high	78 Å²	78	48.6 Å²	48.6	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-36.1	179.5	-71.5	-176.5	172.2	177.7	0	112.2	E393 K401 E453	E393-K397 HydrophobicContact CG-CD 4.07Å; E393-K397 HydrophobicContact CG-CG 4.44Å; E393-K397 WeakPolarHBondContact O-CB 3.39Å; E393-K397 WeakPolarHBondContact O-CG 3.22Å; E393-K397 PolarHBondContact O-N 3Å; E393-K397 VanDerWaalsContact OE1-CE 3.26Å; E393-K397 WeakPolarHBondContact OE1-CE 3.15Å; E393-K397 IonicContact OE1-NZ 2.67Å; E393-K397 PolarHBondContact OE1-NZ 2.94Å; K397-K401 VanDerWaalsContact O-CB 3.23Å; K397-K401 WeakPolarHBondContact O-CB 3.34Å; K397-K401 PolarHBondContact O-N 3.38Å; K397-E453 VanDerWaalsContact CE-O 3.22Å; K397-E453 WeakPolarHBondContact CE-O 3.47Å
398	R	98.4	Very high	97.4	Very high	143 Å²	143	47.9 Å²	47.9	54%	0.54	25%	0.251	S	S	.	.	H	α-helix	trans	-69.3	-40.5	177	-171.3	64.4	179	179.8	2.7	111.9	W353 Y356 K394 K395 V396 T402	W353-R398 HydrophobicContact CH2-CB 4.27Å; W353-R398 HydrophobicContact CH2-CG 4.29Å; Y356-R398 CarbonylContact O-C 3.43Å; Y356-R398 VanDerWaalsContact O-C 3.26Å; Y356-R398 WeakPolarHBondContact O-CG 3.31Å; K394-R398 WeakPolarHBondContact O-CB 3.46Å; K394-R398 PolarHBondContact O-N 3.38Å; K394-R398 VanDerWaalsContact O-N 3.13Å; K395-R398 PolarHBondContact O-N 3.26Å; V396-R398 PolarHBondContact O-N 3.43Å; R398-T402 WeakPolarHBondContact O-CB 3.39Å; R398-T402 PolarHBondContact O-N 3.36Å; R398-T402 PolarHBondContact O-OG1 2.93Å
399	S	98.7	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-51.5	173.7	-59.9	0	0	0	0	111.1	Y356 F357 Y358 K395 V396 K401 T402 I403	Y356-S399 PolarHBondContact O-N 3.4Å; F357-S399 WeakPolarHBondContact CA-OG 3.33Å; Y358-S399 WeakPolarHBondContact CD2-OG 3.2Å; K395-S399 PolarHBondContact O-N 3.16Å; K395-S399 PolarHBondContact O-OG 3.42Å; V396-S399 WeakPolarHBondContact O-CB 3.5Å; V396-S399 PolarHBondContact O-N 3.35Å; V396-S399 VanDerWaalsContact O-N 3.13Å; S399-K401 VanDerWaalsContact C-N 3.31Å; S399-K401 PolarHBondContact O-N 3.33Å; S399-T402 WeakPolarHBondContact O-CA 3.38Å; S399-T402 WeakPolarHBondContact O-CB 3.32Å; S399-T402 PolarHBondContact O-N 3.09Å; S399-I403 WeakPolarHBondContact O-CG1 3.24Å; S399-I403 PolarHBondContact O-N 3.33Å
400	L	98.8	Very high	98	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-40.9	178	-68.4	177.1	0	0	0	112.1	V396 T402 I403 Y404 L446 A449 E453 M455	V396-L400 HydrophobicContact CG1-CD1 4.04Å; V396-L400 HydrophobicContact CG1-CG 4.47Å; V396-L400 WeakPolarHBondContact O-CG 3.22Å; V396-L400 PolarHBondContact O-N 2.81Å; L400-T402 VanDerWaalsContact C-N 3.34Å; L400-I403 HydrophobicContact CD2-CD1 4.36Å; L400-I403 PolarHBondContact O-N 3.13Å; L400-Y404 WeakPolarHBondContact O-CB 3.33Å; L400-Y404 PolarHBondContact O-N 2.88Å; L400-L446 HydrophobicContact CD2-CD1 3.93Å; L400-A449 HydrophobicContact CD2-CB 4.39Å; L400-E453 HydrophobicContact CD1-CB 3.84Å; L400-E453 HydrophobicContact CD1-CG 3.63Å; L400-M455 HydrophobicContact CB-CE 4.38Å; L400-M455 HydrophobicContact CB-SD 3.77Å; L400-M455 HydrophobicContact CD1-SD 4.39Å
401	K	98.7	Very high	98.1	Very high	68 Å²	68	47 Å²	47	30%	0.296	22%	0.215	S	C	.	.	H	α-helix	trans	-64.4	-39.7	174.4	-171.6	60.8	169	74.8	0	112.2	K397 S399 Y404 D405 M455	K397-K401 VanDerWaalsContact O-CB 3.23Å; K397-K401 WeakPolarHBondContact O-CB 3.34Å; K397-K401 PolarHBondContact O-N 3.38Å; S399-K401 VanDerWaalsContact C-N 3.31Å; S399-K401 PolarHBondContact O-N 3.33Å; K401-Y404 PolarHBondContact O-N 3.02Å; K401-D405 IonicContact NZ-OD1 2.59Å; K401-D405 PolarHBondContact NZ-OD1 3.41Å; K401-D405 IonicContact NZ-OD2 2.7Å; K401-D405 PolarHBondContact NZ-OD2 2.87Å; K401-D405 WeakPolarHBondContact O-CB 3.29Å; K401-D405 VanDerWaalsContact O-CG 3.24Å; K401-D405 PolarHBondContact O-N 2.99Å; K401-M455 HydrophobicContact CB-CE 4.14Å; K401-M455 HydrophobicContact CD-CE 3.97Å
402	T	98.6	Very high	98.1	Very high	8 Å²	8	50.4 Å²	50.4	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-45.4	175.5	-58.4	0	0	0	0	110.7	Y356 F357 V370 R398 S399 L400 Y404 D405 Y406	Y356-T402 HydrophobicContact CD2-CG2 4.21Å; Y356-T402 PolarHBondContact O-OG1 3.31Å; F357-T402 HydrophobicContact CB-CG2 4.11Å; F357-T402 HydrophobicContact CD1-CG2 3.98Å; F357-T402 HydrophobicContact CG-CG2 4.22Å; V370-T402 HydrophobicContact CG1-CG2 4.24Å; V370-T402 HydrophobicContact CG2-CG2 4.17Å; R398-T402 WeakPolarHBondContact O-CB 3.39Å; R398-T402 PolarHBondContact O-N 3.36Å; R398-T402 PolarHBondContact O-OG1 2.93Å; S399-T402 WeakPolarHBondContact O-CA 3.38Å; S399-T402 WeakPolarHBondContact O-CB 3.32Å; S399-T402 PolarHBondContact O-N 3.09Å; L400-T402 VanDerWaalsContact C-N 3.34Å; T402-Y404 PolarHBondContact O-N 2.84Å; T402-D405 PolarHBondContact O-N 3.29Å; T402-Y406 HydrophobicContact CG2-CD2 3.94Å; T402-Y406 HydrophobicContact CG2-CE2 4.27Å; T402-Y406 WeakPolarHBondContact O-CB 3.45Å; T402-Y406 WeakPolarHBondContact O-CD2 3.37Å; T402-Y406 PolarHBondContact O-N 3.45Å
403	I	98.8	Very high	98.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-48.3	175.2	-63.5	162.9	0	0	0	110.5	V370 A372 Q374 S399 L400 D405 Y406 N407 V408 L446	V370-I403 HydrophobicContact CG1-CG1 3.95Å; A372-I403 HydrophobicContact CB-CG2 4.41Å; Q374-I403 HydrophobicContact CG-CD1 4.03Å; S399-I403 WeakPolarHBondContact O-CG1 3.24Å; S399-I403 PolarHBondContact O-N 3.33Å; L400-I403 HydrophobicContact CD2-CD1 4.36Å; L400-I403 PolarHBondContact O-N 3.13Å; I403-D405 VanDerWaalsContact C-N 3.35Å; I403-D405 PolarHBondContact O-N 3Å; I403-Y406 PolarHBondContact O-N 3.3Å; I403-N407 HydrophobicContact CG2-CB 3.98Å; I403-N407 WeakPolarHBondContact O-CA 3.36Å; I403-N407 VanDerWaalsContact O-CB 3.32Å; I403-N407 WeakPolarHBondContact O-CB 2.97Å; I403-N407 PolarHBondContact O-N 3.1Å; I403-V408 PolarHBondContact O-N 3.12Å; I403-L446 HydrophobicContact CD1-CD1 4.34Å; I403-L446 HydrophobicContact CG2-CD1 4.14Å; I403-L446 HydrophobicContact CG2-CD2 3.52Å; I403-L446 HydrophobicContact CG2-CG 4.46Å
404	Y	98.8	Very high	98.1	Very high	22 Å²	22	48.6 Å²	48.6	9%	0.086	22%	0.218	C	C	.	.	I	π-helix	trans	-60.4	-43.5	177.6	178.3	-103.6	0	0	0	112.4	L400 K401 T402 Y406 V408 C409 M450 E458 R461	L400-Y404 WeakPolarHBondContact O-CB 3.33Å; L400-Y404 PolarHBondContact O-N 2.88Å; K401-Y404 PolarHBondContact O-N 3.02Å; T402-Y404 PolarHBondContact O-N 2.84Å; Y404-Y406 VanDerWaalsContact C-N 3.33Å; Y404-Y406 PolarHBondContact O-N 3.49Å; Y404-V408 HydrophobicContact CD2-CB 4.13Å; Y404-V408 HydrophobicContact CD2-CG1 4.24Å; Y404-V408 HydrophobicContact CD2-CG2 4.37Å; Y404-V408 HydrophobicContact CE2-CG1 4.26Å; Y404-V408 WeakPolarHBondContact O-CB 3.37Å; Y404-C409 WeakPolarHBondContact CE1-SG 3.48Å; Y404-C409 VanDerWaalsContact CZ-SG 3.57Å; Y404-C409 WeakPolarHBondContact O-CB 3.45Å; Y404-C409 PolarHBondContact O-N 3.46Å; Y404-C409 PolarHBondContact O-SG 3.03Å; Y404-M450 HydrophobicContact CD2-CE 4.32Å; Y404-M450 HydrophobicContact CD2-SD 4.3Å; Y404-M450 HydrophobicContact CG-CE 4.45Å; Y404-E458 HydrophobicContact CD1-CB 4.25Å; Y404-E458 HydrophobicContact CD1-CG 3.63Å; Y404-E458 HydrophobicContact CD2-CB 3.63Å; Y404-E458 HydrophobicContact CD2-CG 3.95Å; Y404-E458 HydrophobicContact CE1-CB 4.31Å; Y404-E458 HydrophobicContact CE1-CG 3.58Å; Y404-E458 HydrophobicContact CE2-CB 3.73Å; Y404-E458 HydrophobicContact CE2-CG 3.93Å; Y404-E458 HydrophobicContact CG-CB 3.88Å; Y404-E458 HydrophobicContact CG-CG 3.78Å; Y404-R461 HydrophobicContact CE2-CB 4.39Å; Y404-R461 WeakPolarHBondContact OH-CD 3.26Å; Y404-R461 PolarHBondContact OH-NH1 2.8Å
405	D	98.6	Very high	98.1	Very high	55 Å²	55	43.3 Å²	43.3	29%	0.294	20%	0.202	S	C	.	.	I	π-helix	trans	-70.2	-31	-178.6	-72.6	-17.9	0	0	0	112.7	K401 T402 I403 R410	K401-D405 IonicContact NZ-OD1 2.59Å; K401-D405 PolarHBondContact NZ-OD1 3.41Å; K401-D405 IonicContact NZ-OD2 2.7Å; K401-D405 PolarHBondContact NZ-OD2 2.87Å; K401-D405 WeakPolarHBondContact O-CB 3.29Å; K401-D405 VanDerWaalsContact O-CG 3.24Å; K401-D405 PolarHBondContact O-N 2.99Å; T402-D405 PolarHBondContact O-N 3.29Å; I403-D405 VanDerWaalsContact C-N 3.35Å; I403-D405 PolarHBondContact O-N 3Å; D405-R410 WeakPolarHBondContact O-CG 3.23Å
406	Y	98.6	Very high	98	Very high	43 Å²	43	42 Å²	42	17%	0.169	20%	0.196	C	C	.	.	I	π-helix	trans	-99.6	-68.2	-175.9	-79.7	-104.2	0	0	0	111.8	V370 T402 I403 Y404 V408 R410 M422 L424	V370-Y406 HydrophobicContact CG2-CG 4.49Å; T402-Y406 HydrophobicContact CG2-CD2 3.94Å; T402-Y406 HydrophobicContact CG2-CE2 4.27Å; T402-Y406 WeakPolarHBondContact O-CB 3.45Å; T402-Y406 WeakPolarHBondContact O-CD2 3.37Å; T402-Y406 PolarHBondContact O-N 3.45Å; I403-Y406 PolarHBondContact O-N 3.3Å; Y404-Y406 VanDerWaalsContact C-N 3.33Å; Y404-Y406 PolarHBondContact O-N 3.49Å; Y406-V408 VanDerWaalsContact C-N 3.27Å; Y406-V408 PolarHBondContact O-N 2.81Å; Y406-R410 VanDerWaalsContact CZ-CZ 3.42Å; Y406-R410 WeakPolarHBondContact O-CB 3.34Å; Y406-R410 PolarHBondContact O-N 3.2Å; Y406-R410 PolarHBondContact OH-NH2 3.49Å; Y406-M422 HydrophobicContact CD1-CG 4.1Å; Y406-M422 VanDerWaalsContact O-CE 3.23Å; Y406-M422 WeakPolarHBondContact O-CE 3.4Å; Y406-L424 HydrophobicContact CE1-CD2 4.15Å; Y406-L424 WeakPolarHBondContact CE1-O 3.04Å
407	N	98.8	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-67.5	-25.6	-173.2	-59.8	65.3	0	0	0	113.2	V370 I403 F411 A418 V419 N420	V370-N407 WeakPolarHBondContact CB-OD1 3.49Å; V370-N407 WeakPolarHBondContact CG1-OD1 3.46Å; V370-N407 PolarHBondContact O-ND2 3Å; I403-N407 HydrophobicContact CG2-CB 3.98Å; I403-N407 WeakPolarHBondContact O-CA 3.36Å; I403-N407 VanDerWaalsContact O-CB 3.32Å; I403-N407 WeakPolarHBondContact O-CB 2.97Å; I403-N407 PolarHBondContact O-N 3.1Å; N407-F411 WeakPolarHBondContact O-CB 3.38Å; N407-A418 HydrophobicContact CB-CB 4.38Å; N407-A418 WeakPolarHBondContact O-CA 3.44Å; N407-V419 HydrophobicContact CB-CG1 4.42Å; N407-V419 WeakPolarHBondContact CB-O 3.38Å; N407-V419 PolarHBondContact ND2-O 3.43Å; N407-V419 PolarHBondContact O-N 3.36Å; N407-N420 PolarHBondContact ND2-O 3.43Å
408	V	98.8	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-102.1	-67.9	177.5	-174.5	0	0	0	0	110.5	I403 Y404 Y406 R410 F411 G414 A418 T462	I403-V408 PolarHBondContact O-N 3.12Å; Y404-V408 HydrophobicContact CD2-CB 4.13Å; Y404-V408 HydrophobicContact CD2-CG1 4.24Å; Y404-V408 HydrophobicContact CD2-CG2 4.37Å; Y404-V408 HydrophobicContact CE2-CG1 4.26Å; Y404-V408 WeakPolarHBondContact O-CB 3.37Å; Y406-V408 VanDerWaalsContact C-N 3.27Å; Y406-V408 PolarHBondContact O-N 2.81Å; V408-R410 PolarHBondContact O-N 3.44Å; V408-F411 PolarHBondContact O-N 2.99Å; V408-F411 VanDerWaalsContact O-N 3.09Å; V408-G414 WeakPolarHBondContact O-CA 3.4Å; V408-G414 PolarHBondContact O-N 2.9Å; V408-G414 VanDerWaalsContact O-N 3.12Å; V408-A418 HydrophobicContact CG2-CB 3.74Å; V408-T462 HydrophobicContact CG2-CG2 3.74Å
409	C	98.4	Very high	98.1	Very high	33 Å²	33	31.4 Å²	31.4	22%	0.223	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-35	-168.8	-68.8	0	0	0	0	114.1	Y404 N413	Y404-C409 WeakPolarHBondContact CE1-SG 3.48Å; Y404-C409 VanDerWaalsContact CZ-SG 3.57Å; Y404-C409 WeakPolarHBondContact O-CB 3.45Å; Y404-C409 PolarHBondContact O-N 3.46Å; Y404-C409 PolarHBondContact O-SG 3.03Å; C409-N413 CarbonylContact O-C 3.59Å; C409-N413 WeakPolarHBondContact O-CA 3.35Å
410	R	97.9	Very high	98.1	Very high	116 Å²	116	31.4 Å²	31.4	44%	0.438	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-14.8	177	-64.6	174	-167.7	-156.6	4.5	113	D405 Y406 V408 M422	D405-R410 WeakPolarHBondContact O-CG 3.23Å; Y406-R410 VanDerWaalsContact CZ-CZ 3.42Å; Y406-R410 WeakPolarHBondContact O-CB 3.34Å; Y406-R410 PolarHBondContact O-N 3.2Å; Y406-R410 PolarHBondContact OH-NH2 3.49Å; V408-R410 PolarHBondContact O-N 3.44Å; R410-M422 HydrophobicContact CB-CE 4.23Å
411	F	97.8	Very high	98.1	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.026	15%	0.154	C	C	.	.	S	Bend	trans	-91.6	108.6	174.1	-173	-107.5	0	0	0	110.2	N407 V408 N413 G414 M416 V419 M422 K428 V438 E486	N407-F411 WeakPolarHBondContact O-CB 3.38Å; V408-F411 PolarHBondContact O-N 2.99Å; V408-F411 VanDerWaalsContact O-N 3.09Å; F411-N413 PolarHBondContact O-N 2.79Å; F411-N413 VanDerWaalsContact O-N 3.1Å; F411-G414 PolarHBondContact O-N 3.44Å; F411-M416 HydrophobicContact CD1-CB 4.17Å; F411-M416 HydrophobicContact CE1-CB 3.82Å; F411-M416 HydrophobicContact CE1-SD 4.36Å; F411-V419 HydrophobicContact CB-CB 4.27Å; F411-V419 HydrophobicContact CB-CG1 3.9Å; F411-V419 HydrophobicContact CD1-CB 4.08Å; F411-V419 HydrophobicContact CD2-CB 3.93Å; F411-V419 HydrophobicContact CD2-CG1 4.03Å; F411-V419 HydrophobicContact CD2-CG2 4.36Å; F411-V419 HydrophobicContact CE1-CB 4.43Å; F411-V419 HydrophobicContact CE2-CB 4.33Å; F411-V419 HydrophobicContact CE2-CG2 4.39Å; F411-V419 HydrophobicContact CG-CB 3.8Å; F411-V419 HydrophobicContact CG-CG1 3.92Å; F411-M422 HydrophobicContact CB-CE 3.86Å; F411-K428 HydrophobicContact CD2-CD 3.95Å; F411-K428 HydrophobicContact CD2-CG 4.08Å; F411-K428 HydrophobicContact CE2-CD 3.6Å; F411-K428 HydrophobicContact CE2-CG 4.23Å; F411-V438 HydrophobicContact CD1-CG2 3.81Å; F411-V438 HydrophobicContact CE1-CG2 3.31Å; F411-V438 HydrophobicContact CZ-CG2 4.09Å; F411-E486 HydrophobicContact CE2-CB 4.04Å; F411-E486 HydrophobicContact CE2-CG 4.44Å; F411-E486 WeakPolarHBondContact CE2-OE2 3.28Å; F411-E486 HydrophobicContact CZ-CB 3.79Å
412	Q	96.1	Very high	98.1	Very high	87 Å²	87	28.2 Å²	28.2	41%	0.407	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	50.9	40.6	177.8	-59.7	-63	-32.7	0	0	112.5	G414 T415 M416 E486	Q412-G414 PolarHBondContact O-N 3.16Å; Q412-T415 PolarHBondContact O-N 3.27Å; Q412-T415 PolarHBondContact O-OG1 3.47Å; Q412-M416 HydrophobicContact CB-CB 4.32Å; Q412-M416 HydrophobicContact CB-CG 3.93Å; Q412-M416 HydrophobicContact CB-SD 3.96Å; Q412-M416 HydrophobicContact CG-CG 4.26Å; Q412-M416 HydrophobicContact CG-SD 3.63Å; Q412-E486 HydrophobicContact CG-CB 3.82Å; Q412-E486 VanDerWaalsContact NE2-CB 3.3Å
413	N	96.1	Very high	98	Very high	127 Å²	127	29.9 Å²	29.9	68%	0.679	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	55.2	24.3	-179	-58.4	-38.7	0	0	0	115.1	C409 F411 R461	C409-N413 CarbonylContact O-C 3.59Å; C409-N413 WeakPolarHBondContact O-CA 3.35Å; F411-N413 PolarHBondContact O-N 2.79Å; F411-N413 VanDerWaalsContact O-N 3.1Å; N413-R461 PolarHBondContact O-NH2 2.79Å
414	G	96.5	Very high	97.9	Very high	3 Å²	3	31.6 Å²	31.6	3%	0.031	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	73.8	23.4	-177.9	0	0	0	0	0	114.4	V408 F411 Q412	V408-G414 WeakPolarHBondContact O-CA 3.4Å; V408-G414 PolarHBondContact O-N 2.9Å; V408-G414 VanDerWaalsContact O-N 3.12Å; F411-G414 PolarHBondContact O-N 3.44Å; Q412-G414 PolarHBondContact O-N 3.16Å
415	T	96.5	Very high	97.8	Very high	76 Å²	76	34.3 Å²	34.3	47%	0.466	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	3.4	-179.3	67.8	0	0	0	0	114.1	Q412 G465 S469	Q412-T415 PolarHBondContact O-N 3.27Å; Q412-T415 PolarHBondContact O-OG1 3.47Å; T415-G465 CarbonylContact O-C 3.54Å; T415-G465 WeakPolarHBondContact O-CA 3.26Å; T415-G465 VanDerWaalsContact O-O 3.06Å; T415-S469 PolarHBondContact O-OG 2.95Å
416	M	97.5	Very high	97.6	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.064	18%	0.176	C	C	.	.	S	Bend	trans	-123.4	-0.8	-174.9	-70.1	-167.6	61.8	0	0	116.1	F411 Q412 V438 S469 F474 L484 E486	F411-M416 HydrophobicContact CD1-CB 4.17Å; F411-M416 HydrophobicContact CE1-CB 3.82Å; F411-M416 HydrophobicContact CE1-SD 4.36Å; Q412-M416 HydrophobicContact CB-CB 4.32Å; Q412-M416 HydrophobicContact CB-CG 3.93Å; Q412-M416 HydrophobicContact CB-SD 3.96Å; Q412-M416 HydrophobicContact CG-CG 4.26Å; Q412-M416 HydrophobicContact CG-SD 3.63Å; M416-V438 WeakPolarHBondContact O-CG1 3.37Å; M416-S469 WeakPolarHBondContact CA-OG 3.25Å; M416-S469 WeakPolarHBondContact CG-OG 3.36Å; M416-F474 HydrophobicContact CE-CE2 3.77Å; M416-F474 HydrophobicContact CE-CZ 3.73Å; M416-L484 HydrophobicContact CE-CB 4.29Å; M416-E486 HydrophobicContact SD-CB 4.47Å
417	G	98.2	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.			trans	100.8	-158.1	-170.1	0	0	0	0	0	111.3
418	A	98.8	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.			trans	-104.8	118.8	179.6	0	0	0	0	0	110.8	A372 N407 V408 V438 S443 L446 T462	A372-A418 HydrophobicContact CB-CB 4.11Å; N407-A418 HydrophobicContact CB-CB 4.38Å; N407-A418 WeakPolarHBondContact O-CA 3.44Å; V408-A418 HydrophobicContact CG2-CB 3.74Å; A418-V438 WeakPolarHBondContact O-CG1 3.35Å; A418-S443 PolarHBondContact N-OG 2.83Å; A418-L446 HydrophobicContact CB-CD2 3.67Å; A418-T462 HydrophobicContact CB-CG2 4.26Å
419	V	98.7	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-68.1	139.2	170.2	68.8	0	0	0	0	109.5	N407 F411 G421 M422 K428 E436 E437 V438	N407-V419 HydrophobicContact CB-CG1 4.42Å; N407-V419 WeakPolarHBondContact CB-O 3.38Å; N407-V419 PolarHBondContact ND2-O 3.43Å; N407-V419 PolarHBondContact O-N 3.36Å; F411-V419 HydrophobicContact CB-CB 4.27Å; F411-V419 HydrophobicContact CB-CG1 3.9Å; F411-V419 HydrophobicContact CD1-CB 4.08Å; F411-V419 HydrophobicContact CD2-CB 3.93Å; F411-V419 HydrophobicContact CD2-CG1 4.03Å; F411-V419 HydrophobicContact CD2-CG2 4.36Å; F411-V419 HydrophobicContact CE1-CB 4.43Å; F411-V419 HydrophobicContact CE2-CB 4.33Å; F411-V419 HydrophobicContact CE2-CG2 4.39Å; F411-V419 HydrophobicContact CG-CB 3.8Å; F411-V419 HydrophobicContact CG-CG1 3.92Å; V419-G421 PolarHBondContact O-N 2.85Å; V419-M422 HydrophobicContact CG1-CB 4.42Å; V419-M422 HydrophobicContact CG1-CE 3.57Å; V419-K428 HydrophobicContact CG1-CG 4.46Å; V419-K428 HydrophobicContact CG2-CD 3.79Å; V419-K428 HydrophobicContact CG2-CG 4.16Å; V419-E436 WeakPolarHBondContact CG2-O 3.21Å; V419-E437 WeakPolarHBondContact CA-O 3.42Å; V419-V438 HydrophobicContact CB-CG2 4.28Å
420	N	98.7	Very high	97.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-60.2	-45.2	-171	-74.6	-24.4	0	0	0	112.8	Y298 W301 M371 A372 N407 Q434 E437 W439	Y298-N420 HydrophobicContact CE1-CB 4.41Å; W301-N420 HydrophobicContact CH2-CB 4.44Å; W301-N420 HydrophobicContact CZ3-CB 3.91Å; M371-N420 CarbonylContact C-O 3.58Å; M371-N420 VanDerWaalsContact CA-O 3.32Å; M371-N420 WeakPolarHBondContact CA-O 3.14Å; A372-N420 PolarHBondContact N-O 3.19Å; N407-N420 PolarHBondContact ND2-O 3.43Å; N420-Q434 WeakPolarHBondContact CB-O 3.39Å; N420-Q434 PolarHBondContact ND2-O 2.86Å; N420-E437 WeakPolarHBondContact CB-O 3.25Å; N420-E437 VanDerWaalsContact CG-O 3.25Å; N420-E437 PolarHBondContact N-O 3.03Å; N420-E437 PolarHBondContact ND2-O 2.85Å; N420-W439 PolarHBondContact ND2-NE1 3.42Å
421	G	98.5	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.8	179.1	0	0	0	0	0	113.2	V419 D429 S435	V419-G421 PolarHBondContact O-N 2.85Å; G421-D429 PolarHBondContact O-N 3.17Å; G421-S435 PolarHBondContact N-O 3.01Å
422	M	98.5	Very high	97	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.7	173.9	-172.6	68.8	77.8	0	0	110.3	V370 Y406 R410 F411 V419 G426 V427	V370-M422 WeakPolarHBondContact CB-O 3.29Å; V370-M422 PolarHBondContact N-O 3.07Å; V370-M422 PolarHBondContact O-N 2.86Å; Y406-M422 HydrophobicContact CD1-CG 4.1Å; Y406-M422 VanDerWaalsContact O-CE 3.23Å; Y406-M422 WeakPolarHBondContact O-CE 3.4Å; R410-M422 HydrophobicContact CB-CE 4.23Å; F411-M422 HydrophobicContact CB-CE 3.86Å; V419-M422 HydrophobicContact CG1-CB 4.42Å; V419-M422 HydrophobicContact CG1-CE 3.57Å; M422-G426 VanDerWaalsContact SD-C 3.52Å; M422-G426 VanDerWaalsContact SD-O 3.4Å; M422-V427 VanDerWaalsContact SD-O 3.38Å
423	L	98	Very high	97	Very high	44 Å²	44	40.6 Å²	40.6	23%	0.23	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	158	174.7	-59.2	176.1	0	0	0	111.1	E368 T369 S425 G426 V427 D429	E368-L423 HydrophobicContact CB-CD2 4.42Å; E368-L423 CarbonylContact O-C 3.36Å; E368-L423 WeakPolarHBondContact O-CA 3.47Å; T369-L423 WeakPolarHBondContact OG1-CD2 3.49Å; L423-S425 PolarHBondContact O-N 2.94Å; L423-S425 VanDerWaalsContact O-N 3.15Å; L423-G426 WeakPolarHBondContact O-CA 3.34Å; L423-G426 PolarHBondContact O-N 3.46Å; L423-V427 VanDerWaalsContact CB-O 3.31Å; L423-V427 WeakPolarHBondContact CB-O 3.4Å; L423-V427 PolarHBondContact N-O 3.41Å; L423-D429 HydrophobicContact CD2-CB 4.32Å; L423-D429 HydrophobicContact CG-CB 4.44Å
424	L	96.5	Very high	97.1	Very high	37 Å²	37	34.8 Å²	34.8	19%	0.194	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.7	176.9	-69.5	168.7	0	0	0	114.7	Y356 F357 E368 V370 Y406 G426	Y356-L424 HydrophobicContact CE2-CD1 4.4Å; Y356-L424 HydrophobicContact CE2-CD2 3.53Å; Y356-L424 WeakPolarHBondContact OH-CD1 3.37Å; F357-L424 HydrophobicContact CE1-CD1 4.41Å; F357-L424 HydrophobicContact CE1-CD2 3.79Å; F357-L424 HydrophobicContact CE1-CG 4.39Å; F357-L424 HydrophobicContact CZ-CD2 4.35Å; E368-L424 HydrophobicContact CB-CB 4.33Å; E368-L424 HydrophobicContact CB-CD1 3.99Å; E368-L424 HydrophobicContact CB-CG 4.15Å; E368-L424 HydrophobicContact CG-CD1 4.11Å; E368-L424 WeakPolarHBondContact O-CG 3.48Å; E368-L424 PolarHBondContact O-N 3.16Å; E368-L424 VanDerWaalsContact O-N 3.09Å; V370-L424 HydrophobicContact CG2-CD2 4.23Å; Y406-L424 HydrophobicContact CE1-CD2 4.15Å; Y406-L424 WeakPolarHBondContact CE1-O 3.04Å; L424-G426 PolarHBondContact O-N 3.23Å
425	S	96	Very high	97.2	Very high	78 Å²	78	34.6 Å²	34.6	55%	0.545	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.9	168.4	62.9	0	0	0	0	113	L423 V427	L423-S425 PolarHBondContact O-N 2.94Å; L423-S425 VanDerWaalsContact O-N 3.15Å; S425-V427 PolarHBondContact OG-N 3.03Å
426	G	95.8	Very high	97.2	Very high	21 Å²	21	32.4 Å²	32.4	22%	0.216	18%	0.178	C	C	.	.	S	Bend	trans	85.5	8.8	-172.2	0	0	0	0	0	114	M422 L423 L424	M422-G426 VanDerWaalsContact SD-C 3.52Å; M422-G426 VanDerWaalsContact SD-O 3.4Å; L423-G426 WeakPolarHBondContact O-CA 3.34Å; L423-G426 PolarHBondContact O-N 3.46Å; L424-G426 PolarHBondContact O-N 3.23Å
427	V	96.4	Very high	97.2	Very high	79 Å²	79	32.3 Å²	32.3	48%	0.479	18%	0.177	S	C	.	.	S	Bend	trans	-95.3	143.3	171.7	-175.8	0	0	0	0	108.8	M422 L423 S425	M422-V427 VanDerWaalsContact SD-O 3.38Å; L423-V427 VanDerWaalsContact CB-O 3.31Å; L423-V427 WeakPolarHBondContact CB-O 3.4Å; L423-V427 PolarHBondContact N-O 3.41Å; S425-V427 PolarHBondContact OG-N 3.03Å
428	K	95.8	Very high	97.3	Very high	16 Å²	16	32.3 Å²	32.3	7%	0.07	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-52.5	141.6	173.3	-70.1	-165.8	-71.8	166.4	0	111.4	F411 V419 E436 H485 E486	F411-K428 HydrophobicContact CD2-CD 3.95Å; F411-K428 HydrophobicContact CD2-CG 4.08Å; F411-K428 HydrophobicContact CE2-CD 3.6Å; F411-K428 HydrophobicContact CE2-CG 4.23Å; V419-K428 HydrophobicContact CG1-CG 4.46Å; V419-K428 HydrophobicContact CG2-CD 3.79Å; V419-K428 HydrophobicContact CG2-CG 4.16Å; K428-E436 HydrophobicContact CD-CB 4.5Å; K428-E436 PolarHBondContact NZ-O 3.3Å; K428-E436 IonicContact NZ-OE2 3.43Å; K428-H485 PolarHBondContact NZ-NE2 2.84Å; K428-E486 WeakPolarHBondContact CE-OE1 3.47Å; K428-E486 WeakPolarHBondContact CE-OE2 3.4Å; K428-E486 IonicContact NZ-OE1 3Å; K428-E486 PolarHBondContact NZ-OE1 2.6Å; K428-E486 IonicContact NZ-OE2 2.73Å; K428-E486 PolarHBondContact NZ-OE2 2.8Å
429	D	97.3	Very high	97.3	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.053	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-63.7	136.9	163.2	-170.8	-12.9	0	0	0	108.5	T369 G421 L423 S431 S435 E436	T369-D429 HydrophobicContact CG2-CB 4.24Å; T369-D429 WeakPolarHBondContact CG2-OD2 3.45Å; T369-D429 PolarHBondContact OG1-OD2 3.35Å; G421-D429 PolarHBondContact O-N 3.17Å; L423-D429 HydrophobicContact CD2-CB 4.32Å; L423-D429 HydrophobicContact CG-CB 4.44Å; D429-S431 VanDerWaalsContact CG-OG 3.23Å; D429-S431 WeakPolarHBondContact OD1-CB 3.23Å; D429-S431 PolarHBondContact OD1-N 3.4Å; D429-S431 PolarHBondContact OD1-OG 3.06Å; D429-S431 PolarHBondContact OD2-OG 3.08Å; D429-S435 VanDerWaalsContact C-OG 3.32Å; D429-S435 PolarHBondContact O-OG 3.02Å; D429-E436 WeakPolarHBondContact O-CG 3.41Å
430	R	96.2	Very high	97.3	Very high	157 Å²	157	32.4 Å²	32.4	59%	0.592	18%	0.178	S	C	*	.			trans	-124.1	18.5	179.5	-59.4	-171.2	178.1	-99.1	4.6	111.8	S432 E436	R430-S432 PolarHBondContact O-N 2.99Å; R430-E436 HydrophobicContact CB-CG 4.46Å; R430-E436 HydrophobicContact CG-CG 4.14Å; R430-E436 IonicContact CZ-OE2 3.47Å; R430-E436 IonicContact NE-OE2 3.94Å; R430-E436 IonicContact NH1-OE2 2.65Å; R430-E436 PolarHBondContact NH1-OE2 3.14Å
431	S	95.6	Very high	97.3	Very high	70 Å²	70	32.4 Å²	32.4	49%	0.49	18%	0.178	S	C	.	.	S	Bend	trans	-69.3	-23.2	176.6	59.5	0	0	0	0	112.4	W301 D429	W301-S431 PolarHBondContact NE1-OG 2.92Å; D429-S431 VanDerWaalsContact CG-OG 3.23Å; D429-S431 WeakPolarHBondContact OD1-CB 3.23Å; D429-S431 PolarHBondContact OD1-N 3.4Å; D429-S431 PolarHBondContact OD1-OG 3.06Å; D429-S431 PolarHBondContact OD2-OG 3.08Å
432	S	96.2	Very high	97.3	Very high	12 Å²	12	32.4 Å²	32.4	8%	0.084	18%	0.178	C	C	.	.	S	Bend	trans	-146.1	150.8	175.5	174.4	0	0	0	0	110.9	A300 R430 Q434 S435 E436	A300-S432 VanDerWaalsContact C-OG 3.27Å; A300-S432 VanDerWaalsContact O-CB 3.28Å; A300-S432 WeakPolarHBondContact O-CB 3.34Å; A300-S432 PolarHBondContact O-OG 3.25Å; R430-S432 PolarHBondContact O-N 2.99Å; S432-Q434 PolarHBondContact O-N 2.74Å; S432-Q434 PolarHBondContact OG-N 3.08Å; S432-Q434 VanDerWaalsContact OG-N 3.08Å; S432-S435 PolarHBondContact N-OG 3.37Å; S432-S435 WeakPolarHBondContact O-CB 3.48Å; S432-S435 PolarHBondContact O-N 2.88Å; S432-S435 PolarHBondContact O-OG 3.16Å; S432-E436 PolarHBondContact O-N 3.27Å
433	I	95.8	Very high	97.3	Very high	107 Å²	107	32.3 Å²	32.3	55%	0.549	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.9	167.7	-169.4	167.9	0	0	0	111.3	A300 S435 E436 E437	A300-I433 HydrophobicContact CB-CG2 4.28Å; I433-S435 VanDerWaalsContact C-N 3.32Å; I433-S435 PolarHBondContact O-N 3.02Å; I433-E436 WeakPolarHBondContact O-CB 3.5Å; I433-E436 PolarHBondContact O-N 2.73Å; I433-E436 VanDerWaalsContact O-N 3.17Å; I433-E437 WeakPolarHBondContact O-CG 3.35Å; I433-E437 PolarHBondContact O-N 3.18Å
434	Q	97.7	Very high	97.3	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.023	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-71	-29	179.7	-70.7	177.9	-28.3	0	0	112.5	Y298 D299 A300 W301 N420 S432 E436 E437 W439	Y298-Q434 PolarHBondContact O-OE1 3.02Å; D299-Q434 PolarHBondContact OD1-NE2 2.72Å; A300-Q434 HydrophobicContact CB-CG 4.07Å; W301-Q434 HydrophobicContact CB-CB 4.42Å; N420-Q434 WeakPolarHBondContact CB-O 3.39Å; N420-Q434 PolarHBondContact ND2-O 2.86Å; S432-Q434 PolarHBondContact O-N 2.74Å; S432-Q434 PolarHBondContact OG-N 3.08Å; S432-Q434 VanDerWaalsContact OG-N 3.08Å; Q434-E436 PolarHBondContact O-N 3.4Å; Q434-E437 PolarHBondContact O-N 3.12Å; Q434-W439 HydrophobicContact CB-CZ2 4.19Å; Q434-W439 HydrophobicContact CG-CZ2 3.84Å
435	S	97.9	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-66.4	-26.1	174.5	73.8	0	0	0	0	112.2	W301 G421 D429 S432 I433	W301-S435 VanDerWaalsContact CE2-CB 3.46Å; W301-S435 VanDerWaalsContact CZ2-CB 3.4Å; G421-S435 PolarHBondContact N-O 3.01Å; D429-S435 VanDerWaalsContact C-OG 3.32Å; D429-S435 PolarHBondContact O-OG 3.02Å; S432-S435 PolarHBondContact N-OG 3.37Å; S432-S435 WeakPolarHBondContact O-CB 3.48Å; S432-S435 PolarHBondContact O-N 2.88Å; S432-S435 PolarHBondContact O-OG 3.16Å; I433-S435 VanDerWaalsContact C-N 3.32Å; I433-S435 PolarHBondContact O-N 3.02Å
436	E	97.5	Very high	97.6	Very high	30 Å²	30	25.1 Å²	25.1	14%	0.14	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-86.5	-13.2	-179.2	-64.9	-172.8	-100.3	0	0	114.2	V419 K428 D429 R430 S432 I433 Q434	V419-E436 WeakPolarHBondContact CG2-O 3.21Å; K428-E436 HydrophobicContact CD-CB 4.5Å; K428-E436 PolarHBondContact NZ-O 3.3Å; K428-E436 IonicContact NZ-OE2 3.43Å; D429-E436 WeakPolarHBondContact O-CG 3.41Å; R430-E436 HydrophobicContact CB-CG 4.46Å; R430-E436 HydrophobicContact CG-CG 4.14Å; R430-E436 IonicContact CZ-OE2 3.47Å; R430-E436 IonicContact NE-OE2 3.94Å; R430-E436 IonicContact NH1-OE2 2.65Å; R430-E436 PolarHBondContact NH1-OE2 3.14Å; S432-E436 PolarHBondContact O-N 3.27Å; I433-E436 WeakPolarHBondContact O-CB 3.5Å; I433-E436 PolarHBondContact O-N 2.73Å; I433-E436 VanDerWaalsContact O-N 3.17Å; Q434-E436 PolarHBondContact O-N 3.4Å
437	E	98.2	Very high	97.7	Very high	11 Å²	11	24.1 Å²	24.1	5%	0.051	12%	0.123	C	C	.	.			trans	-87.7	151.2	-174.1	-75.9	172	161	0	0	112.3	V419 N420 I433 Q434 W439 A483 R491	V419-E437 WeakPolarHBondContact CA-O 3.42Å; N420-E437 WeakPolarHBondContact CB-O 3.25Å; N420-E437 VanDerWaalsContact CG-O 3.25Å; N420-E437 PolarHBondContact N-O 3.03Å; N420-E437 PolarHBondContact ND2-O 2.85Å; I433-E437 WeakPolarHBondContact O-CG 3.35Å; I433-E437 PolarHBondContact O-N 3.18Å; Q434-E437 PolarHBondContact O-N 3.12Å; E437-W439 PolarHBondContact OE2-NE1 3.03Å; E437-A483 HydrophobicContact CB-CB 3.97Å; E437-A483 HydrophobicContact CG-CB 3.9Å; E437-R491 IonicContact OE1-CZ 3.18Å; E437-R491 IonicContact OE1-NE 2.65Å; E437-R491 PolarHBondContact OE1-NE 2.91Å; E437-R491 IonicContact OE1-NH2 3.57Å; E437-R491 PolarHBondContact OE1-NH2 3.07Å; E437-R491 IonicContact OE2-CZ 3.9Å; E437-R491 IonicContact OE2-NE 2.65Å; E437-R491 IonicContact OE2-NH2 2.91Å; E437-R491 PolarHBondContact OE2-NH2 3.28Å
438	V	98.6	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.5	158.3	176.4	0	0	0	0	107.9	F411 M416 A418 V419 I440 S443 A483 L484	F411-V438 HydrophobicContact CD1-CG2 3.81Å; F411-V438 HydrophobicContact CE1-CG2 3.31Å; F411-V438 HydrophobicContact CZ-CG2 4.09Å; M416-V438 WeakPolarHBondContact O-CG1 3.37Å; A418-V438 WeakPolarHBondContact O-CG1 3.35Å; V419-V438 HydrophobicContact CB-CG2 4.28Å; V438-I440 HydrophobicContact CG1-CD1 4.36Å; V438-S443 WeakPolarHBondContact CG1-OG 3.39Å; V438-A483 CarbonylContact O-C 3.58Å; V438-A483 VanDerWaalsContact O-CA 3.23Å; V438-A483 WeakPolarHBondContact O-CA 3.42Å; V438-L484 PolarHBondContact N-O 3Å; V438-L484 PolarHBondContact O-N 2.49Å
439	W	98.8	Very high	98	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.7	167.9	-70	7.1	0	0	0	110	T297 Y298 N420 Q434 E437 V442 S443 E482	T297-W439 HydrophobicContact CG2-CZ3 4.19Å; Y298-W439 HydrophobicContact CD1-CD2 4.44Å; Y298-W439 HydrophobicContact CD1-CE3 4.1Å; Y298-W439 AromaticContact CD1-CH2 3.33Å; Y298-W439 HydrophobicContact CD1-CH2 3.33Å; Y298-W439 AromaticContact CD1-CZ2 3.71Å; Y298-W439 HydrophobicContact CD1-CZ2 3.71Å; Y298-W439 AromaticContact CD1-CZ3 3.53Å; Y298-W439 HydrophobicContact CD1-CZ3 3.53Å; Y298-W439 HydrophobicContact CD2-CH2 4.41Å; Y298-W439 HydrophobicContact CD2-CZ3 4.24Å; Y298-W439 AromaticContact CE1-CD2 3.99Å; Y298-W439 HydrophobicContact CE1-CD2 3.99Å; Y298-W439 AromaticContact CE1-CE3 3.56Å; Y298-W439 HydrophobicContact CE1-CE3 3.56Å; Y298-W439 AromaticContact CE1-CH2 3.71Å; Y298-W439 HydrophobicContact CE1-CH2 3.71Å; Y298-W439 HydrophobicContact CE1-CZ2 4.1Å; Y298-W439 AromaticContact CE1-CZ3 3.4Å; Y298-W439 HydrophobicContact CE1-CZ3 3.4Å; Y298-W439 VanDerWaalsContact CE1-CZ3 3.4Å; Y298-W439 HydrophobicContact CE2-CZ3 4.11Å; Y298-W439 AromaticContact CG-CH2 3.73Å; Y298-W439 HydrophobicContact CG-CH2 3.73Å; Y298-W439 HydrophobicContact CG-CZ2 4.45Å; Y298-W439 AromaticContact CG-CZ3 3.95Å; Y298-W439 HydrophobicContact CG-CZ3 3.95Å; Y298-W439 AromaticContact CZ-CE3 3.89Å; Y298-W439 AromaticContact CZ-CZ3 3.7Å; N420-W439 PolarHBondContact ND2-NE1 3.42Å; Q434-W439 HydrophobicContact CB-CZ2 4.19Å; Q434-W439 HydrophobicContact CG-CZ2 3.84Å; E437-W439 PolarHBondContact OE2-NE1 3.03Å; W439-V442 HydrophobicContact CB-CB 3.86Å; W439-V442 HydrophobicContact CB-CG2 3.75Å; W439-V442 HydrophobicContact CD2-CG2 4.38Å; W439-V442 HydrophobicContact CE3-CG2 3.66Å; W439-V442 HydrophobicContact CG-CG2 4.48Å; W439-V442 PolarHBondContact O-N 2.9Å; W439-S443 WeakPolarHBondContact O-CB 3.4Å; W439-S443 PolarHBondContact O-N 3.18Å; W439-S443 PolarHBondContact O-OG 3.5Å; W439-E482 CarbonylContact C-O 3.56Å; W439-E482 VanDerWaalsContact CA-O 3.28Å; W439-E482 WeakPolarHBondContact CA-O 3.48Å; W439-E482 HydrophobicContact CG-CG 4.45Å
440	I	98.6	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.2	-46.1	-173.1	-60.3	-59.4	0	0	0	110.6	V438 V442 S443 Y444 A466 C470 T480 E482 L484 P498	V438-I440 HydrophobicContact CG1-CD1 4.36Å; I440-V442 PolarHBondContact O-N 3.2Å; I440-S443 WeakPolarHBondContact O-CB 3.27Å; I440-S443 PolarHBondContact O-N 3.3Å; I440-Y444 HydrophobicContact CG2-CD2 3.95Å; I440-Y444 HydrophobicContact CG2-CE2 3.5Å; I440-Y444 VanDerWaalsContact CG2-CE2 3.5Å; I440-Y444 PolarHBondContact O-N 3.33Å; I440-A466 HydrophobicContact CD1-CB 4Å; I440-A466 HydrophobicContact CG2-CB 4.46Å; I440-C470 WeakPolarHBondContact CD1-SG 3.29Å; I440-T480 HydrophobicContact CB-CG2 4.46Å; I440-T480 HydrophobicContact CG2-CG2 3.82Å; I440-E482 PolarHBondContact N-O 3.16Å; I440-L484 HydrophobicContact CD1-CD1 3.78Å; I440-L484 HydrophobicContact CD1-CG 3.96Å; I440-L484 HydrophobicContact CG1-CG 4.46Å; I440-P498 HydrophobicContact CB-CG 4.16Å; I440-P498 HydrophobicContact CG2-CB 4.05Å; I440-P498 HydrophobicContact CG2-CG 4.03Å
441	G	98.7	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61	-41.7	176.3	0	0	0	0	0	113.1	S443 Y444 F445 R497 A500	G441-S443 VanDerWaalsContact C-N 3.35Å; G441-Y444 PolarHBondContact O-N 2.92Å; G441-F445 WeakPolarHBondContact O-CB 3.44Å; G441-F445 PolarHBondContact O-N 3.04Å; G441-R497 VanDerWaalsContact CA-O 3.28Å; G441-R497 WeakPolarHBondContact CA-O 3.4Å; G441-A500 WeakPolarHBondContact O-CB 3.48Å
442	V	98.9	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.3	-39.8	175.9	175.4	0	0	0	0	111	Y162 Y298 A372 D373 W439 I440 Y444 F445 L446	Y162-V442 HydrophobicContact CE1-CG2 4.23Å; Y298-V442 WeakPolarHBondContact OH-CG2 3.48Å; A372-V442 HydrophobicContact CB-CG1 4.48Å; D373-V442 HydrophobicContact CB-CG1 3.87Å; W439-V442 HydrophobicContact CB-CB 3.86Å; W439-V442 HydrophobicContact CB-CG2 3.75Å; W439-V442 HydrophobicContact CD2-CG2 4.38Å; W439-V442 HydrophobicContact CE3-CG2 3.66Å; W439-V442 HydrophobicContact CG-CG2 4.48Å; W439-V442 PolarHBondContact O-N 2.9Å; I440-V442 PolarHBondContact O-N 3.2Å; V442-Y444 PolarHBondContact O-N 3.25Å; V442-F445 PolarHBondContact O-N 3.47Å; V442-L446 WeakPolarHBondContact O-CB 3.17Å; V442-L446 PolarHBondContact O-N 3.01Å
443	S	98.9	Very high	98.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.6	-41.5	176	-65.3	0	0	0	0	112.2	A418 V438 W439 I440 G441 A447	A418-S443 PolarHBondContact N-OG 2.83Å; V438-S443 WeakPolarHBondContact CG1-OG 3.39Å; W439-S443 WeakPolarHBondContact O-CB 3.4Å; W439-S443 PolarHBondContact O-N 3.18Å; W439-S443 PolarHBondContact O-OG 3.5Å; I440-S443 WeakPolarHBondContact O-CB 3.27Å; I440-S443 PolarHBondContact O-N 3.3Å; G441-S443 VanDerWaalsContact C-N 3.35Å; S443-A447 WeakPolarHBondContact O-CB 3.31Å; S443-A447 PolarHBondContact O-N 3.28Å
444	Y	98.9	Very high	98.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-67.9	-40.7	174.7	-69.9	-36.7	0	0	0	112.6	E104 I440 G441 V442 A447 A448 A463 A466 H467 P498 I501	E104-Y444 HydrophobicContact CG-CE2 4.4Å; E104-Y444 PolarHBondContact OE1-OH 2.99Å; I440-Y444 HydrophobicContact CG2-CD2 3.95Å; I440-Y444 HydrophobicContact CG2-CE2 3.5Å; I440-Y444 VanDerWaalsContact CG2-CE2 3.5Å; I440-Y444 PolarHBondContact O-N 3.33Å; G441-Y444 PolarHBondContact O-N 2.92Å; V442-Y444 PolarHBondContact O-N 3.25Å; Y444-A447 WeakPolarHBondContact O-CB 3.28Å; Y444-A447 PolarHBondContact O-N 3.19Å; Y444-A448 PolarHBondContact O-N 2.93Å; Y444-A463 HydrophobicContact CD1-CB 3.73Å; Y444-A463 HydrophobicContact CE1-CB 4.09Å; Y444-A466 HydrophobicContact CE1-CB 4.18Å; Y444-H467 HydrophobicContact CE1-CB 4.37Å; Y444-H467 WeakPolarHBondContact OH-CA 3.38Å; Y444-H467 WeakPolarHBondContact OH-CB 3.22Å; Y444-P498 VanDerWaalsContact CD2-O 3.25Å; Y444-P498 WeakPolarHBondContact CD2-O 3.32Å; Y444-P498 HydrophobicContact CE2-CB 4.28Å; Y444-I501 HydrophobicContact CD1-CB 4.29Å; Y444-I501 HydrophobicContact CD1-CD1 4.36Å; Y444-I501 HydrophobicContact CD1-CG1 4.22Å; Y444-I501 HydrophobicContact CD2-CB 3.77Å; Y444-I501 HydrophobicContact CE1-CD1 3.94Å; Y444-I501 HydrophobicContact CE1-CG1 4.3Å; Y444-I501 HydrophobicContact CE2-CB 4.01Å; Y444-I501 HydrophobicContact CE2-CD1 4.37Å; Y444-I501 HydrophobicContact CG-CB 3.91Å; Y444-I501 HydrophobicContact CG-CG1 4.34Å
445	F	98.9	Very high	98.4	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.009	6%	0.056	C	C	.	.	H	α-helix	trans	-66.6	-41.6	177	-171.5	-105.4	0	0	0	112	Y162 F165 Y380 L383 G441 V442 A447 A448 A449 A500 A503	Y162-F445 HydrophobicContact CD1-CB 3.93Å; Y162-F445 HydrophobicContact CD1-CD1 4.2Å; Y162-F445 HydrophobicContact CD1-CD2 4.45Å; Y162-F445 AromaticContact CD1-CG 3.93Å; Y162-F445 HydrophobicContact CD1-CG 3.93Å; Y162-F445 HydrophobicContact CE1-CB 4.47Å; Y162-F445 HydrophobicContact CE1-CD1 4.14Å; Y162-F445 HydrophobicContact CE1-CG 4.34Å; F165-F445 HydrophobicContact CE2-CD2 4.19Å; F165-F445 AromaticContact CE2-CE2 3.72Å; F165-F445 HydrophobicContact CE2-CE2 3.72Å; F165-F445 HydrophobicContact CZ-CE2 4.07Å; Y380-F445 AromaticContact CD2-CE2 3.78Å; Y380-F445 HydrophobicContact CD2-CE2 3.78Å; Y380-F445 AromaticContact CD2-CZ 3.6Å; Y380-F445 HydrophobicContact CD2-CZ 3.6Å; Y380-F445 HydrophobicContact CE2-CE2 4.33Å; Y380-F445 HydrophobicContact CG-CZ 4.3Å; L383-F445 HydrophobicContact CD1-CD2 4.37Å; L383-F445 HydrophobicContact CD1-CE2 3.56Å; L383-F445 HydrophobicContact CD1-CZ 4.06Å; G441-F445 WeakPolarHBondContact O-CB 3.44Å; G441-F445 PolarHBondContact O-N 3.04Å; V442-F445 PolarHBondContact O-N 3.47Å; F445-A447 VanDerWaalsContact C-N 3.3Å; F445-A447 PolarHBondContact O-N 3.33Å; F445-A448 WeakPolarHBondContact O-CB 3.42Å; F445-A448 PolarHBondContact O-N 3.32Å; F445-A448 VanDerWaalsContact O-N 3.11Å; F445-A449 PolarHBondContact O-N 3.18Å; F445-A500 HydrophobicContact CB-CB 4.4Å; F445-A503 HydrophobicContact CD2-CB 3.92Å; F445-A503 HydrophobicContact CE2-CB 4.38Å
446	L	98.9	Very high	98.4	Very high	6 Å²	6	13.1 Å²	13.1	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-60.5	-40.1	172.2	175.1	63	0	0	0	111.6	A372 L400 I403 A418 V442 A448 A449 M450 T462	A372-L446 HydrophobicContact CB-CD2 4.41Å; L400-L446 HydrophobicContact CD2-CD1 3.93Å; I403-L446 HydrophobicContact CD1-CD1 4.34Å; I403-L446 HydrophobicContact CG2-CD1 4.14Å; I403-L446 HydrophobicContact CG2-CD2 3.52Å; I403-L446 HydrophobicContact CG2-CG 4.46Å; A418-L446 HydrophobicContact CB-CD2 3.67Å; V442-L446 WeakPolarHBondContact O-CB 3.17Å; V442-L446 PolarHBondContact O-N 3.01Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.28Å; L446-A449 WeakPolarHBondContact O-CB 3.32Å; L446-A449 PolarHBondContact O-N 3.48Å; L446-M450 HydrophobicContact CD1-CE 3.89Å; L446-M450 HydrophobicContact CD2-CE 3.96Å; L446-M450 HydrophobicContact CG-CE 3.8Å; L446-M450 WeakPolarHBondContact O-CG 3.19Å; L446-M450 PolarHBondContact O-N 2.73Å; L446-T462 HydrophobicContact CD2-CG2 4.31Å
447	A	98.9	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-41.5	173.6	0	0	0	0	0	111.8	S443 Y444 F445 A449 M450 I451 G459 A463 I504	S443-A447 WeakPolarHBondContact O-CB 3.31Å; S443-A447 PolarHBondContact O-N 3.28Å; Y444-A447 WeakPolarHBondContact O-CB 3.28Å; Y444-A447 PolarHBondContact O-N 3.19Å; F445-A447 VanDerWaalsContact C-N 3.3Å; F445-A447 PolarHBondContact O-N 3.33Å; A447-A449 VanDerWaalsContact C-N 3.33Å; A447-A449 PolarHBondContact O-N 3Å; A447-M450 PolarHBondContact O-N 3.2Å; A447-I451 WeakPolarHBondContact O-CD1 3.33Å; A447-I451 WeakPolarHBondContact O-CG1 3.3Å; A447-I451 PolarHBondContact O-N 3.23Å; A447-G459 WeakPolarHBondContact CB-O 3.28Å; A447-A463 HydrophobicContact CB-CB 3.69Å; A447-I504 HydrophobicContact CB-CD1 3.85Å; A447-I504 HydrophobicContact CB-CG1 4.37Å
448	A	98.7	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.4	-43	173.6	0	0	0	0	0	111.6	L383 Y444 F445 L446 I451 A452 A503 I504	L383-A448 HydrophobicContact CD1-CB 4.37Å; L383-A448 HydrophobicContact CD2-CB 4.41Å; Y444-A448 PolarHBondContact O-N 2.93Å; F445-A448 WeakPolarHBondContact O-CB 3.42Å; F445-A448 PolarHBondContact O-N 3.32Å; F445-A448 VanDerWaalsContact O-N 3.11Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.28Å; A448-I451 PolarHBondContact O-N 3.12Å; A448-A452 WeakPolarHBondContact O-CB 3.28Å; A448-A452 PolarHBondContact O-N 3.35Å; A448-A503 HydrophobicContact CB-CB 3.75Å; A448-I504 HydrophobicContact CB-CG1 3.86Å
449	A	98.4	Very high	98.4	Very high	3 Å²	3	21.9 Å²	21.9	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-45.7	175.7	0	0	0	0	0	112.5	S379 L400 F445 L446 A447 A452 E453	S379-A449 WeakPolarHBondContact OG-CB 3.19Å; L400-A449 HydrophobicContact CD2-CB 4.39Å; F445-A449 PolarHBondContact O-N 3.18Å; L446-A449 WeakPolarHBondContact O-CB 3.32Å; L446-A449 PolarHBondContact O-N 3.48Å; A447-A449 VanDerWaalsContact C-N 3.33Å; A447-A449 PolarHBondContact O-N 3Å; A449-A452 PolarHBondContact O-N 2.82Å; A449-E453 PolarHBondContact O-N 3.1Å; A449-E453 VanDerWaalsContact O-N 3.15Å
450	M	98.8	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-46.9	175.9	-73.1	-179.2	-175.9	0	0	111.6	Y404 L446 A447 A452 E453 G454 M455 E458	Y404-M450 HydrophobicContact CD2-CE 4.32Å; Y404-M450 HydrophobicContact CD2-SD 4.3Å; Y404-M450 HydrophobicContact CG-CE 4.45Å; L446-M450 HydrophobicContact CD1-CE 3.89Å; L446-M450 HydrophobicContact CD2-CE 3.96Å; L446-M450 HydrophobicContact CG-CE 3.8Å; L446-M450 WeakPolarHBondContact O-CG 3.19Å; L446-M450 PolarHBondContact O-N 2.73Å; A447-M450 PolarHBondContact O-N 3.2Å; M450-A452 PolarHBondContact O-N 3.42Å; M450-E453 CarbonylContact O-C 3.57Å; M450-E453 PolarHBondContact O-N 2.83Å; M450-G454 PolarHBondContact O-N 3.41Å; M450-M455 HydrophobicContact CB-CB 4.05Å; M450-M455 WeakPolarHBondContact O-CA 3.16Å; M450-M455 VanDerWaalsContact O-CB 3.31Å; M450-M455 WeakPolarHBondContact O-CB 3.41Å; M450-M455 PolarHBondContact O-N 2.83Å; M450-E458 HydrophobicContact SD-CB 3.82Å
451	I	98.4	Very high	98.4	Very high	8 Å²	8	28 Å²	28	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-42.3	179.2	-64.9	164	0	0	0	110.4	A447 A448 E453 G454 E456 F460 I504 N507 L508	A447-I451 WeakPolarHBondContact O-CD1 3.33Å; A447-I451 WeakPolarHBondContact O-CG1 3.3Å; A447-I451 PolarHBondContact O-N 3.23Å; A448-I451 PolarHBondContact O-N 3.12Å; I451-E453 PolarHBondContact O-N 3.38Å; I451-G454 PolarHBondContact O-N 3.07Å; I451-E456 HydrophobicContact CG2-CG 4.31Å; I451-F460 HydrophobicContact CD1-CD1 4.35Å; I451-F460 HydrophobicContact CD1-CD2 4.28Å; I451-F460 HydrophobicContact CD1-CE1 4.21Å; I451-F460 HydrophobicContact CD1-CE2 4.15Å; I451-F460 HydrophobicContact CD1-CG 4.38Å; I451-F460 HydrophobicContact CD1-CZ 4.11Å; I451-I504 HydrophobicContact CD1-CG1 4.32Å; I451-I504 HydrophobicContact CD1-CG2 3.57Å; I451-N507 WeakPolarHBondContact CG2-ND2 3.28Å; I451-L508 HydrophobicContact CG2-CD2 4.01Å
452	A	97.4	Very high	98.4	Very high	15 Å²	15	28 Å²	28	12%	0.124	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-25.7	177.5	0	0	0	0	0	113.4	K382 L383 A448 A449 M450 N507	K382-A452 WeakPolarHBondContact CE-O 3.44Å; K382-A452 HydrophobicContact CG-CB 3.81Å; L383-A452 HydrophobicContact CD2-CB 4.3Å; A448-A452 WeakPolarHBondContact O-CB 3.28Å; A448-A452 PolarHBondContact O-N 3.35Å; A449-A452 PolarHBondContact O-N 2.82Å; M450-A452 PolarHBondContact O-N 3.42Å; A452-N507 WeakPolarHBondContact CA-ND2 3.5Å; A452-N507 WeakPolarHBondContact CB-OD1 3.38Å; A452-N507 PolarHBondContact N-ND2 3.28Å
453	E	97.2	Very high	98.4	Very high	11 Å²	11	28 Å²	28	5%	0.051	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	8.5	174.2	-73	-58.9	130.6	0	0	113.9	Y378 K382 V396 K397 L400 A449 M450 I451 M455	Y378-E453 PolarHBondContact OH-OE1 3.26Å; K382-E453 WeakPolarHBondContact CD-OE1 3.41Å; K382-E453 WeakPolarHBondContact CE-OE1 3.36Å; K382-E453 IonicContact NZ-OE1 2.94Å; K382-E453 PolarHBondContact NZ-OE1 2.8Å; V396-E453 HydrophobicContact CG1-CG 3.92Å; K397-E453 VanDerWaalsContact CE-O 3.22Å; K397-E453 WeakPolarHBondContact CE-O 3.47Å; L400-E453 HydrophobicContact CD1-CB 3.84Å; L400-E453 HydrophobicContact CD1-CG 3.63Å; A449-E453 PolarHBondContact O-N 3.1Å; A449-E453 VanDerWaalsContact O-N 3.15Å; M450-E453 CarbonylContact O-C 3.57Å; M450-E453 PolarHBondContact O-N 2.83Å; I451-E453 PolarHBondContact O-N 3.38Å; E453-M455 VanDerWaalsContact C-N 3.34Å
454	G	97.2	Very high	98.4	Very high	59 Å²	59	30.5 Å²	30.5	61%	0.608	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	13.1	179	0	0	0	0	0	114.5	M450 I451 E456	M450-G454 PolarHBondContact O-N 3.41Å; I451-G454 PolarHBondContact O-N 3.07Å; G454-E456 VanDerWaalsContact C-N 3.28Å; G454-E456 PolarHBondContact O-N 2.87Å
455	M	98.2	Very high	98.3	Very high	18 Å²	18	30.7 Å²	30.7	9%	0.089	16%	0.157	C	C	.	.			trans	-92.8	53.5	174.3	-57	177.7	57.8	0	0	110.5	L400 K401 M450 E453 K457 E458 G459	L400-M455 HydrophobicContact CB-CE 4.38Å; L400-M455 HydrophobicContact CB-SD 3.77Å; L400-M455 HydrophobicContact CD1-SD 4.39Å; K401-M455 HydrophobicContact CB-CE 4.14Å; K401-M455 HydrophobicContact CD-CE 3.97Å; M450-M455 HydrophobicContact CB-CB 4.05Å; M450-M455 WeakPolarHBondContact O-CA 3.16Å; M450-M455 VanDerWaalsContact O-CB 3.31Å; M450-M455 WeakPolarHBondContact O-CB 3.41Å; M450-M455 PolarHBondContact O-N 2.83Å; E453-M455 VanDerWaalsContact C-N 3.34Å; M455-K457 VanDerWaalsContact C-N 3.33Å; M455-K457 PolarHBondContact O-N 3.44Å; M455-E458 HydrophobicContact CB-CB 4.19Å; M455-E458 HydrophobicContact CE-CB 4.12Å; M455-E458 HydrophobicContact CE-CG 3.91Å; M455-E458 PolarHBondContact O-N 3.13Å; M455-G459 PolarHBondContact O-N 3.43Å
456	E	97.7	Very high	98.3	Very high	111 Å²	111	30.6 Å²	30.6	52%	0.519	16%	0.156	S	C	.	.	H	α-helix	trans	-59	-41.9	-170.2	-65.7	-173.9	-173	0	0	113.2	I451 G454 G459 F460	I451-E456 HydrophobicContact CG2-CG 4.31Å; G454-E456 VanDerWaalsContact C-N 3.28Å; G454-E456 PolarHBondContact O-N 2.87Å; E456-G459 PolarHBondContact O-N 2.95Å; E456-F460 VanDerWaalsContact O-CD2 3.29Å; E456-F460 WeakPolarHBondContact O-CD2 3.49Å; E456-F460 PolarHBondContact O-N 3.14Å
457	K	98.2	Very high	98.2	Very high	179 Å²	179	31 Å²	31	78%	0.778	16%	0.158	S	C	*	.	H	α-helix	trans	-65.3	-44.9	-178.7	-69.3	-179.1	179.7	176.9	0	111	M455 R461	M455-K457 VanDerWaalsContact C-N 3.33Å; M455-K457 PolarHBondContact O-N 3.44Å; K457-R461 VanDerWaalsContact O-CB 3.28Å; K457-R461 WeakPolarHBondContact O-CB 3.4Å; K457-R461 PolarHBondContact O-N 2.71Å
458	E	98.7	Very high	98.1	Very high	45 Å²	45	34.9 Å²	34.9	21%	0.21	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-44.7	177.4	-66.4	88.1	160.9	0	0	111.3	Y404 M450 M455 R461 T462	Y404-E458 HydrophobicContact CD1-CB 4.25Å; Y404-E458 HydrophobicContact CD1-CG 3.63Å; Y404-E458 HydrophobicContact CD2-CB 3.63Å; Y404-E458 HydrophobicContact CD2-CG 3.95Å; Y404-E458 HydrophobicContact CE1-CB 4.31Å; Y404-E458 HydrophobicContact CE1-CG 3.58Å; Y404-E458 HydrophobicContact CE2-CB 3.73Å; Y404-E458 HydrophobicContact CE2-CG 3.93Å; Y404-E458 HydrophobicContact CG-CB 3.88Å; Y404-E458 HydrophobicContact CG-CG 3.78Å; M450-E458 HydrophobicContact SD-CB 3.82Å; M455-E458 HydrophobicContact CB-CB 4.19Å; M455-E458 HydrophobicContact CE-CB 4.12Å; M455-E458 HydrophobicContact CE-CG 3.91Å; M455-E458 PolarHBondContact O-N 3.13Å; E458-R461 PolarHBondContact O-N 3.46Å; E458-T462 WeakPolarHBondContact O-CB 3.49Å; E458-T462 PolarHBondContact O-N 3.14Å; E458-T462 PolarHBondContact O-OG1 3.45Å
459	G	98.7	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-53	178.4	0	0	0	0	0	112.2	A447 M455 E456 R461 T462 A463	A447-G459 WeakPolarHBondContact CB-O 3.28Å; M455-G459 PolarHBondContact O-N 3.43Å; E456-G459 PolarHBondContact O-N 2.95Å; G459-R461 VanDerWaalsContact C-N 3.33Å; G459-R461 PolarHBondContact O-N 3.3Å; G459-T462 WeakPolarHBondContact O-CB 3.41Å; G459-T462 PolarHBondContact O-N 2.96Å; G459-A463 PolarHBondContact O-N 2.88Å
460	F	98.6	Very high	97.8	Very high	21 Å²	21	34.7 Å²	34.7	9%	0.092	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-37.4	178.3	-79.8	-61.1	0	0	0	112.7	L93 P94 W96 Y97 I451 E456 T462 A463 E464 I504 L508	L93-F460 HydrophobicContact CD2-CZ 4.07Å; P94-F460 HydrophobicContact CG-CB 4.27Å; P94-F460 HydrophobicContact CG-CD1 3.8Å; P94-F460 HydrophobicContact CG-CD2 4.19Å; P94-F460 HydrophobicContact CG-CE1 4.13Å; P94-F460 HydrophobicContact CG-CE2 4.49Å; P94-F460 HydrophobicContact CG-CG 3.83Å; P94-F460 HydrophobicContact CG-CZ 4.46Å; W96-F460 HydrophobicContact CH2-CD1 4.5Å; W96-F460 HydrophobicContact CZ2-CB 4.42Å; W96-F460 AromaticContact CZ2-CD1 3.96Å; W96-F460 HydrophobicContact CZ2-CD1 3.96Å; W96-F460 VanDerWaalsContact CZ2-O 3.31Å; W96-F460 WeakPolarHBondContact CZ2-O 2.85Å; Y97-F460 HydrophobicContact CD1-CE1 4.03Å; Y97-F460 HydrophobicContact CD2-CE1 4.12Å; Y97-F460 HydrophobicContact CE1-CE1 4.42Å; Y97-F460 HydrophobicContact CG-CD1 4.46Å; Y97-F460 AromaticContact CG-CE1 3.87Å; Y97-F460 HydrophobicContact CG-CE1 3.87Å; I451-F460 HydrophobicContact CD1-CD1 4.35Å; I451-F460 HydrophobicContact CD1-CD2 4.28Å; I451-F460 HydrophobicContact CD1-CE1 4.21Å; I451-F460 HydrophobicContact CD1-CE2 4.15Å; I451-F460 HydrophobicContact CD1-CG 4.38Å; I451-F460 HydrophobicContact CD1-CZ 4.11Å; E456-F460 VanDerWaalsContact O-CD2 3.29Å; E456-F460 WeakPolarHBondContact O-CD2 3.49Å; E456-F460 PolarHBondContact O-N 3.14Å; F460-T462 VanDerWaalsContact C-N 3.33Å; F460-T462 PolarHBondContact O-N 3.39Å; F460-A463 PolarHBondContact O-N 2.65Å; F460-E464 WeakPolarHBondContact O-CB 3.26Å; F460-E464 PolarHBondContact O-N 3.24Å; F460-I504 HydrophobicContact CE1-CG2 4.24Å; F460-L508 HydrophobicContact CZ-CD1 4.02Å
461	R	98.5	Very high	97.5	Very high	109 Å²	109	36 Å²	36	41%	0.411	18%	0.179	S	C	.	.	H	α-helix	trans	-64.4	-39.5	176.2	-170.3	-173.9	-179.8	175.5	-5.2	112	Y404 N413 K457 E458 G459 E464 G465	Y404-R461 HydrophobicContact CE2-CB 4.39Å; Y404-R461 WeakPolarHBondContact OH-CD 3.26Å; Y404-R461 PolarHBondContact OH-NH1 2.8Å; N413-R461 PolarHBondContact O-NH2 2.79Å; K457-R461 VanDerWaalsContact O-CB 3.28Å; K457-R461 WeakPolarHBondContact O-CB 3.4Å; K457-R461 PolarHBondContact O-N 2.71Å; E458-R461 PolarHBondContact O-N 3.46Å; G459-R461 VanDerWaalsContact C-N 3.33Å; G459-R461 PolarHBondContact O-N 3.3Å; R461-E464 PolarHBondContact O-N 3.44Å; R461-G465 PolarHBondContact O-N 2.61Å; R461-G465 VanDerWaalsContact O-N 3.1Å
462	T	98.8	Very high	97.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-50.1	177	-57	0	0	0	0	110.8	V408 A418 L446 E458 G459 F460 G465 A466	V408-T462 HydrophobicContact CG2-CG2 3.74Å; A418-T462 HydrophobicContact CB-CG2 4.26Å; L446-T462 HydrophobicContact CD2-CG2 4.31Å; E458-T462 WeakPolarHBondContact O-CB 3.49Å; E458-T462 PolarHBondContact O-N 3.14Å; E458-T462 PolarHBondContact O-OG1 3.45Å; G459-T462 WeakPolarHBondContact O-CB 3.41Å; G459-T462 PolarHBondContact O-N 2.96Å; F460-T462 VanDerWaalsContact C-N 3.33Å; F460-T462 PolarHBondContact O-N 3.39Å; T462-G465 PolarHBondContact O-N 3.21Å; T462-A466 PolarHBondContact O-N 3.2Å
463	A	98.7	Very high	96.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-37.9	177.7	0	0	0	0	0	112.8	W96 Y444 A447 G459 F460 G465 A466 H467 I504	W96-A463 HydrophobicContact CH2-CB 3.6Å; W96-A463 HydrophobicContact CZ2-CB 4.3Å; W96-A463 HydrophobicContact CZ3-CB 4.5Å; Y444-A463 HydrophobicContact CD1-CB 3.73Å; Y444-A463 HydrophobicContact CE1-CB 4.09Å; A447-A463 HydrophobicContact CB-CB 3.69Å; G459-A463 PolarHBondContact O-N 2.88Å; F460-A463 PolarHBondContact O-N 2.65Å; A463-G465 VanDerWaalsContact C-N 3.32Å; A463-G465 PolarHBondContact O-N 3.09Å; A463-A466 PolarHBondContact O-N 2.85Å; A463-H467 WeakPolarHBondContact O-CB 3.05Å; A463-H467 PolarHBondContact O-N 2.78Å; A463-I504 HydrophobicContact CB-CD1 3.9Å
464	E	98.4	Very high	96.8	Very high	53 Å²	53	46.2 Å²	46.2	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-41.5	177.8	-174.3	174.6	-158	0	0	111.6	W96 F460 R461 H467 K468	W96-E464 VanDerWaalsContact CD1-CD 3.48Å; W96-E464 VanDerWaalsContact CD1-OE1 3.24Å; W96-E464 HydrophobicContact CD2-CB 4.1Å; W96-E464 HydrophobicContact CD2-CG 3.98Å; W96-E464 VanDerWaalsContact CE2-CB 3.47Å; W96-E464 HydrophobicContact CG-CG 4.05Å; W96-E464 HydrophobicContact CH2-CB 4.27Å; W96-E464 HydrophobicContact CZ2-CB 3.58Å; W96-E464 HydrophobicContact CZ2-CG 4.35Å; F460-E464 WeakPolarHBondContact O-CB 3.26Å; F460-E464 PolarHBondContact O-N 3.24Å; R461-E464 PolarHBondContact O-N 3.44Å; E464-H467 PolarHBondContact O-N 2.69Å; E464-K468 HydrophobicContact CG-CD 3.85Å; E464-K468 HydrophobicContact CG-CG 4.2Å; E464-K468 WeakPolarHBondContact O-CB 3.5Å; E464-K468 WeakPolarHBondContact O-CG 3.43Å; E464-K468 PolarHBondContact O-N 3.16Å; E464-K468 WeakPolarHBondContact OE1-CE 3.31Å; E464-K468 IonicContact OE1-NZ 2.65Å; E464-K468 PolarHBondContact OE1-NZ 2.58Å
465	G	97.9	Very high	96.6	Very high	5 Å²	5	44.9 Å²	44.9	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-44.7	176.7	0	0	0	0	0	112.4	T415 R461 T462 A463 S469	T415-G465 CarbonylContact O-C 3.54Å; T415-G465 WeakPolarHBondContact O-CA 3.26Å; T415-G465 VanDerWaalsContact O-O 3.06Å; R461-G465 PolarHBondContact O-N 2.61Å; R461-G465 VanDerWaalsContact O-N 3.1Å; T462-G465 PolarHBondContact O-N 3.21Å; A463-G465 VanDerWaalsContact C-N 3.32Å; A463-G465 PolarHBondContact O-N 3.09Å; G465-S469 VanDerWaalsContact O-CB 3.28Å; G465-S469 WeakPolarHBondContact O-CB 3.39Å; G465-S469 PolarHBondContact O-N 3.42Å; G465-S469 VanDerWaalsContact O-N 3.1Å; G465-S469 PolarHBondContact O-OG 3.46Å
466	A	97.7	Very high	96.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-51.3	175.8	0	0	0	0	0	111.2	I440 Y444 T462 A463 S469 C470	I440-A466 HydrophobicContact CD1-CB 4Å; I440-A466 HydrophobicContact CG2-CB 4.46Å; Y444-A466 HydrophobicContact CE1-CB 4.18Å; T462-A466 PolarHBondContact O-N 3.2Å; A463-A466 PolarHBondContact O-N 2.85Å; A466-S469 PolarHBondContact O-N 3.11Å; A466-C470 PolarHBondContact O-N 2.89Å; A466-C470 VanDerWaalsContact O-N 3.13Å; A466-C470 PolarHBondContact O-SG 2.86Å
467	H	97.5	Very high	96.4	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.06	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-52.4	-179.8	174.1	65.7	0	0	0	112.7	W96 A100 Y444 A463 E464 S469 C470 F471	W96-H467 HydrophobicContact CE3-CB 3.99Å; W96-H467 AromaticContact CE3-CD2 3.68Å; W96-H467 AromaticContact CE3-CG 3.9Å; W96-H467 HydrophobicContact CZ3-CB 3.91Å; A100-H467 WeakPolarHBondContact CB-ND1 3.5Å; Y444-H467 HydrophobicContact CE1-CB 4.37Å; Y444-H467 WeakPolarHBondContact OH-CA 3.38Å; Y444-H467 WeakPolarHBondContact OH-CB 3.22Å; A463-H467 WeakPolarHBondContact O-CB 3.05Å; A463-H467 PolarHBondContact O-N 2.78Å; E464-H467 PolarHBondContact O-N 2.69Å; H467-S469 VanDerWaalsContact C-N 3.25Å; H467-S469 PolarHBondContact O-N 2.91Å; H467-C470 PolarHBondContact O-N 2.8Å; H467-F471 AromaticContact CE1-CD1 3.86Å; H467-F471 AromaticContact CE1-CD2 3.41Å; H467-F471 VanDerWaalsContact CE1-CD2 3.41Å; H467-F471 WeakPolarHBondContact CE1-CD2 3.45Å; H467-F471 AromaticContact CE1-CE2 3.86Å; H467-F471 AromaticContact CE1-CG 3.42Å; H467-F471 VanDerWaalsContact CE1-CG 3.42Å; H467-F471 WeakPolarHBondContact CE1-CG 3.35Å; H467-F471 AromaticContact ND1-CD2 3.4Å; H467-F471 WeakPolarHBondContact ND1-CD2 3.42Å; H467-F471 AromaticContact ND1-CE2 3.79Å; H467-F471 AromaticContact ND1-CG 3.89Å; H467-F471 PolarHBondContact O-N 3.38Å
468	K	96.5	Very high	96.3	Very high	82 Å²	82	40.3 Å²	40.3	36%	0.357	19%	0.194	S	C	.	.	H	α-helix	trans	-63.4	-33.5	-178.9	-75.7	-176	170.4	168.9	0	111.9	E464 N472 N473	E464-K468 HydrophobicContact CG-CD 3.85Å; E464-K468 HydrophobicContact CG-CG 4.2Å; E464-K468 WeakPolarHBondContact O-CB 3.5Å; E464-K468 WeakPolarHBondContact O-CG 3.43Å; E464-K468 PolarHBondContact O-N 3.16Å; E464-K468 WeakPolarHBondContact OE1-CE 3.31Å; E464-K468 IonicContact OE1-NZ 2.65Å; E464-K468 PolarHBondContact OE1-NZ 2.58Å; K468-N472 WeakPolarHBondContact O-CA 3.35Å; K468-N472 WeakPolarHBondContact O-CB 3.36Å; K468-N472 PolarHBondContact O-N 3.48Å; K468-N473 PolarHBondContact O-N 2.9Å
469	S	95.8	Very high	96.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-63.9	-49	176	-65.4	0	0	0	0	111.3	T415 M416 G465 A466 H467 N473 F474	T415-S469 PolarHBondContact O-OG 2.95Å; M416-S469 WeakPolarHBondContact CA-OG 3.25Å; M416-S469 WeakPolarHBondContact CG-OG 3.36Å; G465-S469 VanDerWaalsContact O-CB 3.28Å; G465-S469 WeakPolarHBondContact O-CB 3.39Å; G465-S469 PolarHBondContact O-N 3.42Å; G465-S469 VanDerWaalsContact O-N 3.1Å; G465-S469 PolarHBondContact O-OG 3.46Å; A466-S469 PolarHBondContact O-N 3.11Å; H467-S469 VanDerWaalsContact C-N 3.25Å; H467-S469 PolarHBondContact O-N 2.91Å; S469-N473 PolarHBondContact O-N 2.9Å; S469-F474 WeakPolarHBondContact O-CB 3.29Å; S469-F474 VanDerWaalsContact O-CD2 3.25Å; S469-F474 WeakPolarHBondContact O-CD2 3.48Å; S469-F474 PolarHBondContact O-N 3.34Å
470	C	95.1	Very high	96.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-63.6	-57.9	176.4	-63.8	0	0	0	0	111.9	I440 A466 H467 G475 L476 T480	I440-C470 WeakPolarHBondContact CD1-SG 3.29Å; A466-C470 PolarHBondContact O-N 2.89Å; A466-C470 VanDerWaalsContact O-N 3.13Å; A466-C470 PolarHBondContact O-SG 2.86Å; H467-C470 PolarHBondContact O-N 2.8Å; C470-G475 PolarHBondContact O-N 2.83Å; C470-L476 WeakPolarHBondContact O-CA 3.36Å; C470-L476 PolarHBondContact O-N 3.21Å; C470-T480 HydrophobicContact CB-CG2 4.19Å
471	F	93.2	Very high	96.2	Very high	26 Å²	26	39.9 Å²	39.9	11%	0.114	19%	0.192	C	C	.	.	I	π-helix	trans	-75.6	-41	-168.5	-85.1	-109.3	0	0	0	113.5	N103 E104 H467 H477	N103-F471 HydrophobicContact CB-CE1 4.06Å; N103-F471 HydrophobicContact CB-CZ 4.02Å; E104-F471 WeakPolarHBondContact OE1-CE2 3.26Å; H467-F471 AromaticContact CE1-CD1 3.86Å; H467-F471 AromaticContact CE1-CD2 3.41Å; H467-F471 VanDerWaalsContact CE1-CD2 3.41Å; H467-F471 WeakPolarHBondContact CE1-CD2 3.45Å; H467-F471 AromaticContact CE1-CE2 3.86Å; H467-F471 AromaticContact CE1-CG 3.42Å; H467-F471 VanDerWaalsContact CE1-CG 3.42Å; H467-F471 WeakPolarHBondContact CE1-CG 3.35Å; H467-F471 AromaticContact ND1-CD2 3.4Å; H467-F471 WeakPolarHBondContact ND1-CD2 3.42Å; H467-F471 AromaticContact ND1-CE2 3.79Å; H467-F471 AromaticContact ND1-CG 3.89Å; H467-F471 PolarHBondContact O-N 3.38Å; F471-H477 HydrophobicContact CD1-CB 3.51Å; F471-H477 HydrophobicContact CE1-CB 3.75Å; F471-H477 HydrophobicContact CG-CB 4.07Å; F471-H477 HydrophobicContact CZ-CB 4.48Å
472	N	90.5	Very high	96.2	Very high	110 Å²	110	34.7 Å²	34.7	59%	0.588	17%	0.173	S	C	*	.	I	π-helix	trans	-105.2	-38.6	-168.1	-58.8	-18.8	0	0	0	113	K468	K468-N472 WeakPolarHBondContact O-CA 3.35Å; K468-N472 WeakPolarHBondContact O-CB 3.36Å; K468-N472 PolarHBondContact O-N 3.48Å
473	N	92.3	Very high	96.2	Very high	101 Å²	101	34.7 Å²	34.7	54%	0.54	17%	0.173	S	C	.	.	I	π-helix	trans	-90.9	-46.2	-171.5	-58.7	-21.3	0	0	0	112.2	K468 S469	K468-N473 PolarHBondContact O-N 2.9Å; S469-N473 PolarHBondContact O-N 2.9Å
474	F	94.5	Very high	96.1	Very high	38 Å²	38	34.8 Å²	34.8	17%	0.167	17%	0.173	C	C	.	.	S	Bend	trans	-92.1	-14.7	-177.8	-74.7	-120.1	0	0	0	112.7	M416 S469 L476 L484 N488	M416-F474 HydrophobicContact CE-CE2 3.77Å; M416-F474 HydrophobicContact CE-CZ 3.73Å; S469-F474 WeakPolarHBondContact O-CB 3.29Å; S469-F474 VanDerWaalsContact O-CD2 3.25Å; S469-F474 WeakPolarHBondContact O-CD2 3.48Å; S469-F474 PolarHBondContact O-N 3.34Å; F474-L476 VanDerWaalsContact C-N 3.33Å; F474-L476 HydrophobicContact CB-CD1 3.72Å; F474-L476 HydrophobicContact CB-CG 3.77Å; F474-L476 HydrophobicContact CD1-CD1 4.22Å; F474-L476 HydrophobicContact CG-CD1 4.34Å; F474-L484 HydrophobicContact CD1-CD2 3.82Å; F474-L484 HydrophobicContact CD2-CD1 4.48Å; F474-L484 HydrophobicContact CE1-CD2 3.79Å; F474-L484 HydrophobicContact CE2-CD1 4.33Å; F474-L484 HydrophobicContact CG-CD2 4.27Å; F474-L484 HydrophobicContact CZ-CD1 4.45Å; F474-L484 HydrophobicContact CZ-CD2 4.25Å; F474-N488 VanDerWaalsContact CD1-OD1 3.3Å; F474-N488 WeakPolarHBondContact CD1-OD1 3.37Å; F474-N488 VanDerWaalsContact CE1-CA 3.45Å; F474-N488 HydrophobicContact CE1-CB 4.31Å; F474-N488 WeakPolarHBondContact CE1-OD1 3.28Å; F474-N488 WeakPolarHBondContact CE2-OD1 3.19Å; F474-N488 WeakPolarHBondContact CG-OD1 3.22Å; F474-N488 HydrophobicContact CZ-CB 4.4Å; F474-N488 VanDerWaalsContact CZ-OD1 3.27Å; F474-N488 WeakPolarHBondContact CZ-OD1 3.26Å
475	G	93.5	Very high	96	Very high	31 Å²	31	33.5 Å²	33.5	32%	0.32	17%	0.167	S	C	.	.			trans	71.8	26.4	-178	0	0	0	0	0	113.7	C470 H477 Q479	C470-G475 PolarHBondContact O-N 2.83Å; G475-H477 VanDerWaalsContact C-N 3.31Å; G475-H477 PolarHBondContact O-N 2.87Å; G475-Q479 PolarHBondContact O-NE2 3.42Å
476	L	96	Very high	95.7	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	17%	0.174	C	C	.	.			trans	-94.3	28.9	-177.5	-59.4	173.2	0	0	0	112.7	C470 F474 Y478 Q479 T480 P481 L484 Y490 I493	C470-L476 WeakPolarHBondContact O-CA 3.36Å; C470-L476 PolarHBondContact O-N 3.21Å; F474-L476 VanDerWaalsContact C-N 3.33Å; F474-L476 HydrophobicContact CB-CD1 3.72Å; F474-L476 HydrophobicContact CB-CG 3.77Å; F474-L476 HydrophobicContact CD1-CD1 4.22Å; F474-L476 HydrophobicContact CG-CD1 4.34Å; L476-Y478 PolarHBondContact O-N 2.92Å; L476-Q479 VanDerWaalsContact C-CG 3.47Å; L476-Q479 VanDerWaalsContact CA-CG 3.46Å; L476-Q479 HydrophobicContact CB-CG 3.94Å; L476-Q479 HydrophobicContact CD2-CG 3.99Å; L476-Q479 CarbonylContact O-C 3.59Å; L476-Q479 WeakPolarHBondContact O-CG 3.39Å; L476-Q479 PolarHBondContact O-N 3.34Å; L476-Q479 VanDerWaalsContact O-N 3.15Å; L476-T480 PolarHBondContact O-N 2.76Å; L476-P481 HydrophobicContact CD1-CG 3.76Å; L476-L484 HydrophobicContact CD1-CD2 3.99Å; L476-Y490 HydrophobicContact CD1-CD1 4.1Å; L476-Y490 HydrophobicContact CD1-CG 4.11Å; L476-Y490 HydrophobicContact CD2-CD1 4.4Å; L476-Y490 HydrophobicContact CD2-CE1 4.36Å; L476-I493 HydrophobicContact CD2-CG2 4.34Å
477	H	94.3	Very high	95.3	Very high	96 Å²	96	38.7 Å²	38.7	44%	0.444	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	134	172.8	53	-86.3	0	0	0	110.1	F471 G475 Q479	F471-H477 HydrophobicContact CD1-CB 3.51Å; F471-H477 HydrophobicContact CE1-CB 3.75Å; F471-H477 HydrophobicContact CG-CB 4.07Å; F471-H477 HydrophobicContact CZ-CB 4.48Å; G475-H477 VanDerWaalsContact C-N 3.31Å; G475-H477 PolarHBondContact O-N 2.87Å; H477-Q479 PolarHBondContact O-N 2.98Å
478	Y	96.8	Very high	94.8	Very high	110 Å²	110	43 Å²	43	43%	0.431	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	27.5	-173.6	-50	-67.6	0	0	0	114.2	N103 Y106 W149 L476	N103-Y478 HydrophobicContact CB-CE1 4.16Å; N103-Y478 PolarHBondContact OD1-OH 3.37Å; Y106-Y478 HydrophobicContact CD1-CD1 4.17Å; Y106-Y478 HydrophobicContact CD2-CD1 4.24Å; Y106-Y478 WeakPolarHBondContact CE2-O 3.29Å; Y106-Y478 AromaticContact CG-CD1 3.73Å; Y106-Y478 HydrophobicContact CG-CD1 3.73Å; Y106-Y478 HydrophobicContact CG-CG 4.47Å; W149-Y478 WeakPolarHBondContact CH2-O 3.27Å; L476-Y478 PolarHBondContact O-N 2.92Å
479	Q	97.3	Very high	94.6	Very high	57 Å²	57	47.3 Å²	47.3	27%	0.266	23%	0.234	S	C	.	.			trans	-155.1	31.7	171.9	58.2	-173.2	-36	0	0	110.2	Y106 W149 G475 L476 H477 G494	Y106-Q479 VanDerWaalsContact OH-CA 3.23Å; Y106-Q479 WeakPolarHBondContact OH-CA 3.12Å; Y106-Q479 PolarHBondContact OH-N 2.82Å; W149-Q479 HydrophobicContact CH2-CB 3.83Å; W149-Q479 HydrophobicContact CZ3-CB 3.59Å; G475-Q479 PolarHBondContact O-NE2 3.42Å; L476-Q479 VanDerWaalsContact C-CG 3.47Å; L476-Q479 VanDerWaalsContact CA-CG 3.46Å; L476-Q479 HydrophobicContact CB-CG 3.94Å; L476-Q479 HydrophobicContact CD2-CG 3.99Å; L476-Q479 CarbonylContact O-C 3.59Å; L476-Q479 WeakPolarHBondContact O-CG 3.39Å; L476-Q479 PolarHBondContact O-N 3.34Å; L476-Q479 VanDerWaalsContact O-N 3.15Å; H477-Q479 PolarHBondContact O-N 2.98Å; Q479-G494 PolarHBondContact O-N 3.17Å
480	T	98.3	Very high	94.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.257	C	S	.	.			trans	-47.8	123.1	-177.4	-45.6	0	0	0	0	110.1	E104 Y106 I440 C470 L476 G494 Y495 P498	E104-T480 PolarHBondContact OE1-OG1 3.19Å; E104-T480 WeakPolarHBondContact OE2-CB 3.31Å; E104-T480 PolarHBondContact OE2-OG1 3.1Å; Y106-T480 PolarHBondContact OH-N 3.22Å; I440-T480 HydrophobicContact CB-CG2 4.46Å; I440-T480 HydrophobicContact CG2-CG2 3.82Å; C470-T480 HydrophobicContact CB-CG2 4.19Å; L476-T480 PolarHBondContact O-N 2.76Å; T480-G494 PolarHBondContact O-N 3.21Å; T480-Y495 PolarHBondContact O-N 3Å; T480-P498 HydrophobicContact CG2-CB 3.68Å; T480-P498 HydrophobicContact CG2-CG 3.58Å
481	P	98.3	Very high	94.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.267	C	S	.	.			trans	-84.2	171.8	-174.4	35.5	-37.3	0	0	0	112.2	L476 L484 R491 A492 I493	L476-P481 HydrophobicContact CD1-CG 3.76Å; P481-L484 HydrophobicContact CG-CD2 3.64Å; P481-L484 HydrophobicContact CG-CG 4.28Å; P481-R491 WeakPolarHBondContact CB-O 3.48Å; P481-A492 CarbonylContact C-O 3.51Å; P481-A492 WeakPolarHBondContact CA-O 3.46Å; P481-I493 HydrophobicContact CB-CG2 4.42Å
482	E	98.6	Very high	95	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	26%	0.261	C	S	.	.	S	Bend	trans	-61	-55.8	163.8	174	65	155.1	0	0	109.8	W439 I440 R491 A492 Y495 R497	W439-E482 CarbonylContact C-O 3.56Å; W439-E482 VanDerWaalsContact CA-O 3.28Å; W439-E482 WeakPolarHBondContact CA-O 3.48Å; W439-E482 HydrophobicContact CG-CG 4.45Å; I440-E482 PolarHBondContact N-O 3.16Å; E482-R491 PolarHBondContact N-O 3.07Å; E482-A492 HydrophobicContact CB-CB 4.04Å; E482-A492 PolarHBondContact N-O 3.07Å; E482-Y495 HydrophobicContact CB-CD1 3.69Å; E482-Y495 HydrophobicContact CB-CD2 3.61Å; E482-Y495 HydrophobicContact CB-CE1 3.71Å; E482-Y495 HydrophobicContact CB-CE2 3.67Å; E482-Y495 HydrophobicContact CB-CG 3.66Å; E482-Y495 HydrophobicContact CG-CD1 4.29Å; E482-Y495 HydrophobicContact CG-CE1 3.88Å; E482-Y495 HydrophobicContact CG-CE2 4.33Å; E482-Y495 WeakPolarHBondContact OE2-CD1 3.49Å; E482-Y495 WeakPolarHBondContact OE2-CE1 3.49Å; E482-R497 VanDerWaalsContact CD-NE 3.31Å; E482-R497 IonicContact OE1-CZ 3.98Å; E482-R497 IonicContact OE1-NE 3.02Å; E482-R497 PolarHBondContact OE1-NE 3.16Å; E482-R497 IonicContact OE1-NH2 2.82Å; E482-R497 PolarHBondContact OE1-NH2 3.06Å; E482-R497 WeakPolarHBondContact OE2-CB 3.36Å; E482-R497 IonicContact OE2-NE 3.99Å; E482-R497 PolarHBondContact OE2-NE 3.47Å
483	A	98.4	Very high	95.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.9	-165.5	0	0	0	0	0	113.7	E437 V438 Y490 R491	E437-A483 HydrophobicContact CB-CB 3.97Å; E437-A483 HydrophobicContact CG-CB 3.9Å; V438-A483 CarbonylContact O-C 3.58Å; V438-A483 VanDerWaalsContact O-CA 3.23Å; V438-A483 WeakPolarHBondContact O-CA 3.42Å; A483-Y490 CarbonylContact O-C 3.57Å; A483-Y490 VanDerWaalsContact O-CA 3.23Å; A483-Y490 WeakPolarHBondContact O-CA 3.46Å; A483-R491 HydrophobicContact CB-CB 4.31Å; A483-R491 PolarHBondContact N-O 3.11Å; A483-R491 PolarHBondContact O-N 2.81Å
484	L	97.5	Very high	95.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	151.6	167.8	-62.1	-177.2	0	0	0	111.1	M416 V438 I440 F474 L476 P481	M416-L484 HydrophobicContact CE-CB 4.29Å; V438-L484 PolarHBondContact N-O 3Å; V438-L484 PolarHBondContact O-N 2.49Å; I440-L484 HydrophobicContact CD1-CD1 3.78Å; I440-L484 HydrophobicContact CD1-CG 3.96Å; I440-L484 HydrophobicContact CG1-CG 4.46Å; F474-L484 HydrophobicContact CD1-CD2 3.82Å; F474-L484 HydrophobicContact CD2-CD1 4.48Å; F474-L484 HydrophobicContact CE1-CD2 3.79Å; F474-L484 HydrophobicContact CE2-CD1 4.33Å; F474-L484 HydrophobicContact CG-CD2 4.27Å; F474-L484 HydrophobicContact CZ-CD1 4.45Å; F474-L484 HydrophobicContact CZ-CD2 4.25Å; L476-L484 HydrophobicContact CD1-CD2 3.99Å; P481-L484 HydrophobicContact CG-CD2 3.64Å; P481-L484 HydrophobicContact CG-CG 4.28Å
485	H	95.4	Very high	95.8	Very high	27 Å²	27	44.3 Å²	44.3	13%	0.125	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.6	170.7	-169.2	-91.1	0	0	0	109.9	K428 C487 N488 W489	K428-H485 PolarHBondContact NZ-NE2 2.84Å; H485-C487 VanDerWaalsContact CE1-SG 3.58Å; H485-C487 PolarHBondContact ND1-N 3.4Å; H485-C487 PolarHBondContact O-N 2.75Å; H485-C487 VanDerWaalsContact O-N 3.09Å; H485-N488 PolarHBondContact O-N 3.39Å; H485-N488 VanDerWaalsContact O-N 3.17Å; H485-W489 HydrophobicContact CB-CB 4.18Å; H485-W489 PolarHBondContact N-O 3.39Å
486	E	91.7	Very high	96	Very high	45 Å²	45	42.8 Å²	42.8	21%	0.21	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.8	-175.7	70.8	-78.6	-175.1	0	0	114.2	F411 Q412 M416 K428 N488	F411-E486 HydrophobicContact CE2-CB 4.04Å; F411-E486 HydrophobicContact CE2-CG 4.44Å; F411-E486 WeakPolarHBondContact CE2-OE2 3.28Å; F411-E486 HydrophobicContact CZ-CB 3.79Å; Q412-E486 HydrophobicContact CG-CB 3.82Å; Q412-E486 VanDerWaalsContact NE2-CB 3.3Å; M416-E486 HydrophobicContact SD-CB 4.47Å; K428-E486 WeakPolarHBondContact CE-OE1 3.47Å; K428-E486 WeakPolarHBondContact CE-OE2 3.4Å; K428-E486 IonicContact NZ-OE1 3Å; K428-E486 PolarHBondContact NZ-OE1 2.6Å; K428-E486 IonicContact NZ-OE2 2.73Å; K428-E486 PolarHBondContact NZ-OE2 2.8Å; E486-N488 PolarHBondContact O-N 3.32Å; E486-N488 VanDerWaalsContact O-N 3.12Å
487	C	89	Confident	96.1	Very high	69 Å²	69	42.7 Å²	42.7	47%	0.466	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	20.2	177.1	-59.6	0	0	0	0	113.5	H485 W489	H485-C487 VanDerWaalsContact CE1-SG 3.58Å; H485-C487 PolarHBondContact ND1-N 3.4Å; H485-C487 PolarHBondContact O-N 2.75Å; H485-C487 VanDerWaalsContact O-N 3.09Å; C487-W489 VanDerWaalsContact C-N 3.31Å; C487-W489 HydrophobicContact CB-CD2 4.32Å; C487-W489 PolarHBondContact O-N 3.05Å
488	N	86.9	Confident	96.3	Very high	103 Å²	103	38.1 Å²	38.1	55%	0.551	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	35.8	-177.6	-149.7	43.7	0	0	0	113.6	F474 H485 E486	F474-N488 VanDerWaalsContact CD1-OD1 3.3Å; F474-N488 WeakPolarHBondContact CD1-OD1 3.37Å; F474-N488 VanDerWaalsContact CE1-CA 3.45Å; F474-N488 HydrophobicContact CE1-CB 4.31Å; F474-N488 WeakPolarHBondContact CE1-OD1 3.28Å; F474-N488 WeakPolarHBondContact CE2-OD1 3.19Å; F474-N488 WeakPolarHBondContact CG-OD1 3.22Å; F474-N488 HydrophobicContact CZ-CB 4.4Å; F474-N488 VanDerWaalsContact CZ-OD1 3.27Å; F474-N488 WeakPolarHBondContact CZ-OD1 3.26Å; H485-N488 PolarHBondContact O-N 3.39Å; H485-N488 VanDerWaalsContact O-N 3.17Å; E486-N488 PolarHBondContact O-N 3.32Å; E486-N488 VanDerWaalsContact O-N 3.12Å
489	W	94	Very high	96.4	Very high	173 Å²	173	33 Å²	33	66%	0.655	15%	0.151	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	153.2	171.8	-57.3	-19.7	0	0	0	110.2	H485 C487	H485-W489 HydrophobicContact CB-CB 4.18Å; H485-W489 PolarHBondContact N-O 3.39Å; C487-W489 VanDerWaalsContact C-N 3.31Å; C487-W489 HydrophobicContact CB-CD2 4.32Å; C487-W489 PolarHBondContact O-N 3.05Å
490	Y	96.3	Very high	96.5	Very high	124 Å²	124	30.2 Å²	30.2	49%	0.486	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	162.6	177.5	57.8	-97.7	0	0	0	110.1	L476 A483 I493	L476-Y490 HydrophobicContact CD1-CD1 4.1Å; L476-Y490 HydrophobicContact CD1-CG 4.11Å; L476-Y490 HydrophobicContact CD2-CD1 4.4Å; L476-Y490 HydrophobicContact CD2-CE1 4.36Å; A483-Y490 CarbonylContact O-C 3.57Å; A483-Y490 VanDerWaalsContact O-CA 3.23Å; A483-Y490 WeakPolarHBondContact O-CA 3.46Å; Y490-I493 HydrophobicContact CD2-CG2 3.45Å; Y490-I493 VanDerWaalsContact CD2-CG2 3.45Å; Y490-I493 HydrophobicContact CE2-CG2 3.39Å; Y490-I493 HydrophobicContact CG-CG2 4.42Å
491	R	97.6	Very high	96.5	Very high	51 Å²	51	30.2 Å²	30.2	19%	0.192	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.9	175.8	177.3	174.2	63.4	75.1	0.1	110.1	Y151 E437 P481 E482 A483	Y151-R491 WeakPolarHBondContact OH-CD 3.45Å; Y151-R491 WeakPolarHBondContact OH-CG 3.3Å; Y151-R491 PolarHBondContact OH-NH1 2.88Å; E437-R491 IonicContact OE1-CZ 3.18Å; E437-R491 IonicContact OE1-NE 2.65Å; E437-R491 PolarHBondContact OE1-NE 2.91Å; E437-R491 IonicContact OE1-NH2 3.57Å; E437-R491 PolarHBondContact OE1-NH2 3.07Å; E437-R491 IonicContact OE2-CZ 3.9Å; E437-R491 IonicContact OE2-NE 2.65Å; E437-R491 IonicContact OE2-NH2 2.91Å; E437-R491 PolarHBondContact OE2-NH2 3.28Å; P481-R491 WeakPolarHBondContact CB-O 3.48Å; E482-R491 PolarHBondContact N-O 3.07Å; A483-R491 HydrophobicContact CB-CB 4.31Å; A483-R491 PolarHBondContact N-O 3.11Å; A483-R491 PolarHBondContact O-N 2.81Å
492	A	97.3	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	60.1	77.4	175.9	0	0	0	0	0	113.6	E150 Y151 P481 E482 Y495	E150-A492 WeakPolarHBondContact OE2-CA 3.06Å; E150-A492 PolarHBondContact OE2-N 3.09Å; E150-A492 VanDerWaalsContact OE2-N 3.13Å; Y151-A492 HydrophobicContact CD2-CB 3.88Å; Y151-A492 HydrophobicContact CE1-CB 4.4Å; Y151-A492 HydrophobicContact CE2-CB 3.3Å; P481-A492 CarbonylContact C-O 3.51Å; P481-A492 WeakPolarHBondContact CA-O 3.46Å; E482-A492 HydrophobicContact CB-CB 4.04Å; E482-A492 PolarHBondContact N-O 3.07Å; A492-Y495 HydrophobicContact CB-CD2 3.38Å; A492-Y495 HydrophobicContact CB-CE2 3.42Å; A492-Y495 VanDerWaalsContact CB-CE2 3.42Å; A492-Y495 WeakPolarHBondContact O-CD2 3.18Å
493	I	97.1	Very high	96.6	Very high	30 Å²	30	30.4 Å²	30.4	15%	0.154	14%	0.138	C	C	.	.	S	Bend	trans	-72.2	154.5	176.2	59.7	167.8	0	0	0	112.4	W149 E150 L476 P481 Y490	W149-I493 HydrophobicContact CE3-CD1 4.03Å; W149-I493 HydrophobicContact CE3-CG1 4.05Å; W149-I493 HydrophobicContact CZ3-CD1 4.32Å; E150-I493 HydrophobicContact CG-CG1 4.46Å; L476-I493 HydrophobicContact CD2-CG2 4.34Å; P481-I493 HydrophobicContact CB-CG2 4.42Å; Y490-I493 HydrophobicContact CD2-CG2 3.45Å; Y490-I493 VanDerWaalsContact CD2-CG2 3.45Å; Y490-I493 HydrophobicContact CE2-CG2 3.39Å; Y490-I493 HydrophobicContact CG-CG2 4.42Å
494	G	97.9	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	57.7	71.7	-175.1	0	0	0	0	0	109.3	F107 S148 W149 Q479 T480	F107-G494 WeakPolarHBondContact CE2-O 3.32Å; F107-G494 WeakPolarHBondContact CZ-O 3.44Å; S148-G494 WeakPolarHBondContact CA-O 3.37Å; S148-G494 WeakPolarHBondContact CB-O 3.44Å; W149-G494 PolarHBondContact N-O 3.41Å; Q479-G494 PolarHBondContact O-N 3.17Å; T480-G494 PolarHBondContact O-N 3.21Å
495	Y	98.7	Very high	96.6	Very high	6 Å²	6	31.6 Å²	31.6	2%	0.024	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-113	150.5	-169.9	-148.5	-97.3	0	0	0	112.7	E147 Y151 V159 T480 E482 A492 R497 P498	E147-Y495 HydrophobicContact CG-CE1 4.25Å; E147-Y495 HydrophobicContact CG-CE2 3.97Å; E147-Y495 CarbonylContact O-C 3.42Å; E147-Y495 WeakPolarHBondContact O-CA 3.46Å; E147-Y495 PolarHBondContact OE1-OH 3.38Å; Y151-Y495 AromaticContact CD2-CE2 3.57Å; Y151-Y495 HydrophobicContact CD2-CE2 3.57Å; Y151-Y495 AromaticContact CE2-CE2 3.83Å; Y151-Y495 HydrophobicContact CE2-CE2 3.83Å; V159-Y495 HydrophobicContact CG1-CD1 4.42Å; V159-Y495 HydrophobicContact CG1-CE1 3.79Å; V159-Y495 HydrophobicContact CG2-CE1 4.44Å; T480-Y495 PolarHBondContact O-N 3Å; E482-Y495 HydrophobicContact CB-CD1 3.69Å; E482-Y495 HydrophobicContact CB-CD2 3.61Å; E482-Y495 HydrophobicContact CB-CE1 3.71Å; E482-Y495 HydrophobicContact CB-CE2 3.67Å; E482-Y495 HydrophobicContact CB-CG 3.66Å; E482-Y495 HydrophobicContact CG-CD1 4.29Å; E482-Y495 HydrophobicContact CG-CE1 3.88Å; E482-Y495 HydrophobicContact CG-CE2 4.33Å; E482-Y495 WeakPolarHBondContact OE2-CD1 3.49Å; E482-Y495 WeakPolarHBondContact OE2-CE1 3.49Å; A492-Y495 HydrophobicContact CB-CD2 3.38Å; A492-Y495 HydrophobicContact CB-CE2 3.42Å; A492-Y495 VanDerWaalsContact CB-CE2 3.42Å; A492-Y495 WeakPolarHBondContact O-CD2 3.18Å; Y495-R497 HydrophobicContact CD1-CB 3.79Å; Y495-R497 HydrophobicContact CE1-CB 3.96Å; Y495-P498 WeakPolarHBondContact O-CD 3.34Å
496	M	98.7	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-70.4	-48.2	-179	174.2	-177.7	-59.8	0	0	113.4	F107 Y145 L146 E147 V159 H160 A163 P498 L499	F107-M496 HydrophobicContact CD1-CB 4.28Å; F107-M496 HydrophobicContact CE1-CB 3.66Å; F107-M496 HydrophobicContact CZ-CB 4.46Å; Y145-M496 HydrophobicContact CD1-CE 4.42Å; Y145-M496 HydrophobicContact CD2-CE 3.55Å; Y145-M496 HydrophobicContact CD2-CG 4.33Å; Y145-M496 HydrophobicContact CD2-SD 4.49Å; Y145-M496 HydrophobicContact CE1-CE 4.27Å; Y145-M496 HydrophobicContact CE2-CB 4.44Å; Y145-M496 HydrophobicContact CE2-CE 3.42Å; Y145-M496 VanDerWaalsContact CE2-CE 3.42Å; Y145-M496 HydrophobicContact CE2-CG 3.58Å; Y145-M496 HydrophobicContact CE2-SD 3.8Å; Y145-M496 HydrophobicContact CG-CE 4.08Å; L146-M496 WeakPolarHBondContact O-CE 3.49Å; E147-M496 WeakPolarHBondContact O-CB 3.22Å; E147-M496 PolarHBondContact O-N 2.98Å; V159-M496 HydrophobicContact CB-SD 4.17Å; V159-M496 HydrophobicContact CG1-CB 3.79Å; V159-M496 HydrophobicContact CG1-CG 3.86Å; V159-M496 HydrophobicContact CG1-SD 3.9Å; H160-M496 VanDerWaalsContact CA-SD 3.58Å; H160-M496 HydrophobicContact CB-SD 3.88Å; A163-M496 HydrophobicContact CB-CG 3.53Å; A163-M496 WeakPolarHBondContact CB-O 3.32Å; A163-M496 HydrophobicContact CB-SD 4.34Å; M496-P498 VanDerWaalsContact C-CD 3.4Å; M496-P498 VanDerWaalsContact C-N 3.35Å; M496-L499 WeakPolarHBondContact O-CB 3.43Å; M496-L499 WeakPolarHBondContact O-CG 3.4Å; M496-L499 PolarHBondContact O-N 2.99Å; M496-L499 VanDerWaalsContact O-N 3.07Å
497	R	98.8	Very high	96.9	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.011	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-53.4	-36.8	-171.3	-141.8	-174.5	-64.6	-95.9	8.9	115.3	D158 V159 Y162 T297 G441 E482 Y495 L499 A500	D158-R497 PolarHBondContact O-NH1 3.22Å; V159-R497 HydrophobicContact CG1-CB 3.78Å; V159-R497 HydrophobicContact CG1-CG 4.03Å; Y162-R497 HydrophobicContact CD2-CG 3.95Å; Y162-R497 VanDerWaalsContact CD2-NH1 3.29Å; Y162-R497 HydrophobicContact CG-CG 3.87Å; T297-R497 PolarHBondContact OG1-NH1 3.23Å; T297-R497 PolarHBondContact OG1-NH2 3.32Å; G441-R497 VanDerWaalsContact CA-O 3.28Å; G441-R497 WeakPolarHBondContact CA-O 3.4Å; E482-R497 VanDerWaalsContact CD-NE 3.31Å; E482-R497 IonicContact OE1-CZ 3.98Å; E482-R497 IonicContact OE1-NE 3.02Å; E482-R497 PolarHBondContact OE1-NE 3.16Å; E482-R497 IonicContact OE1-NH2 2.82Å; E482-R497 PolarHBondContact OE1-NH2 3.06Å; E482-R497 WeakPolarHBondContact OE2-CB 3.36Å; E482-R497 IonicContact OE2-NE 3.99Å; E482-R497 PolarHBondContact OE2-NE 3.47Å; Y495-R497 HydrophobicContact CD1-CB 3.79Å; Y495-R497 HydrophobicContact CE1-CB 3.96Å; R497-L499 PolarHBondContact O-N 2.84Å; R497-L499 VanDerWaalsContact O-N 3.08Å; R497-A500 WeakPolarHBondContact O-CB 3.46Å; R497-A500 PolarHBondContact O-N 3.32Å
498	P	98.8	Very high	97.1	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-54.2	-20.7	175.1	-30.1	35.3	0	0	0	116.3	I440 Y444 T480 Y495 M496 A500 I501	I440-P498 HydrophobicContact CB-CG 4.16Å; I440-P498 HydrophobicContact CG2-CB 4.05Å; I440-P498 HydrophobicContact CG2-CG 4.03Å; Y444-P498 VanDerWaalsContact CD2-O 3.25Å; Y444-P498 WeakPolarHBondContact CD2-O 3.32Å; Y444-P498 HydrophobicContact CE2-CB 4.28Å; T480-P498 HydrophobicContact CG2-CB 3.68Å; T480-P498 HydrophobicContact CG2-CG 3.58Å; Y495-P498 WeakPolarHBondContact O-CD 3.34Å; M496-P498 VanDerWaalsContact C-CD 3.4Å; M496-P498 VanDerWaalsContact C-N 3.35Å; P498-A500 PolarHBondContact O-N 2.87Å; P498-I501 PolarHBondContact O-N 2.95Å; P498-I501 VanDerWaalsContact O-N 3.14Å
499	L	98.8	Very high	97.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-57.4	-16.7	170.4	-71.3	169.1	0	0	0	112.7	E104 L105 F107 L108 Y145 A163 A166 M496 R497 I501 W502	E104-L499 VanDerWaalsContact O-CD2 3.3Å; E104-L499 WeakPolarHBondContact O-CD2 3.44Å; L105-L499 HydrophobicContact CD2-CD2 4.19Å; F107-L499 HydrophobicContact CD1-CD1 4.15Å; L108-L499 HydrophobicContact CD2-CD1 3.63Å; L108-L499 HydrophobicContact CG-CD1 4.11Å; L108-L499 HydrophobicContact CG-CD2 4.15Å; Y145-L499 HydrophobicContact CE2-CD1 4.07Å; A163-L499 HydrophobicContact CB-CB 3.76Å; A163-L499 HydrophobicContact CB-CD1 4.14Å; A166-L499 HydrophobicContact CB-CB 4.28Å; A166-L499 HydrophobicContact CB-CD2 4.26Å; M496-L499 WeakPolarHBondContact O-CB 3.43Å; M496-L499 WeakPolarHBondContact O-CG 3.4Å; M496-L499 PolarHBondContact O-N 2.99Å; M496-L499 VanDerWaalsContact O-N 3.07Å; R497-L499 PolarHBondContact O-N 2.84Å; R497-L499 VanDerWaalsContact O-N 3.08Å; L499-I501 PolarHBondContact O-N 2.92Å; L499-W502 WeakPolarHBondContact O-CB 3.42Å; L499-W502 PolarHBondContact O-N 3.44Å
500	A	98.8	Very high	96.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-54.9	-13.4	171	0	0	0	0	0	115.2	Y162 G441 F445 R497 P498 W502 A503	Y162-A500 VanDerWaalsContact O-CA 3.22Å; Y162-A500 WeakPolarHBondContact O-CA 3.26Å; Y162-A500 WeakPolarHBondContact O-CB 3.38Å; G441-A500 WeakPolarHBondContact O-CB 3.48Å; F445-A500 HydrophobicContact CB-CB 4.4Å; R497-A500 WeakPolarHBondContact O-CB 3.46Å; R497-A500 PolarHBondContact O-N 3.32Å; P498-A500 PolarHBondContact O-N 2.87Å; A500-W502 PolarHBondContact O-N 2.7Å; A500-W502 VanDerWaalsContact O-N 3.11Å; A500-A503 WeakPolarHBondContact O-CB 3.47Å; A500-A503 PolarHBondContact O-N 3.41Å
501	I	98.8	Very high	94.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-54.9	-25.8	167	-163.5	167.1	0	0	0	112.2	Y97 A100 E104 Y444 P498 L499 A503 I504	Y97-I501 HydrophobicContact CD2-CD1 4.22Å; Y97-I501 HydrophobicContact CD2-CG1 4.35Å; Y97-I501 HydrophobicContact CE2-CD1 4.15Å; Y97-I501 HydrophobicContact CE2-CG1 3.81Å; A100-I501 HydrophobicContact CB-CD1 3.7Å; E104-I501 HydrophobicContact CB-CG2 3.86Å; E104-I501 HydrophobicContact CG-CD1 4.44Å; E104-I501 HydrophobicContact CG-CG2 3.98Å; Y444-I501 HydrophobicContact CD1-CB 4.29Å; Y444-I501 HydrophobicContact CD1-CD1 4.36Å; Y444-I501 HydrophobicContact CD1-CG1 4.22Å; Y444-I501 HydrophobicContact CD2-CB 3.77Å; Y444-I501 HydrophobicContact CE1-CD1 3.94Å; Y444-I501 HydrophobicContact CE1-CG1 4.3Å; Y444-I501 HydrophobicContact CE2-CB 4.01Å; Y444-I501 HydrophobicContact CE2-CD1 4.37Å; Y444-I501 HydrophobicContact CG-CB 3.91Å; Y444-I501 HydrophobicContact CG-CG1 4.34Å; P498-I501 PolarHBondContact O-N 2.95Å; P498-I501 VanDerWaalsContact O-N 3.14Å; L499-I501 PolarHBondContact O-N 2.92Å; I501-A503 VanDerWaalsContact C-N 3.28Å; I501-A503 PolarHBondContact O-N 3.44Å; I501-I504 HydrophobicContact CG1-CD1 4.38Å; I501-I504 WeakPolarHBondContact O-CB 3.19Å; I501-I504 PolarHBondContact O-N 3.39Å
502	W	98.7	Very high	91.8	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.015	14%	0.137	C	C	.	.	H	α-helix	trans	-70.6	-19	174	-79.3	76.5	0	0	0	113.7	W83 V101 F102 L105 F165 A166 M169 L170 L499 A500 I504 H505 W506	W83-W502 HydrophobicContact CZ3-CH2 4.01Å; W83-W502 HydrophobicContact CZ3-CZ2 4.34Å; V101-W502 HydrophobicContact CG2-CD2 4.23Å; V101-W502 HydrophobicContact CG2-CZ2 3.83Å; V101-W502 PolarHBondContact O-NE1 2.87Å; F102-W502 HydrophobicContact CD1-CZ2 4.38Å; L105-W502 HydrophobicContact CD1-CH2 4.46Å; L105-W502 HydrophobicContact CD1-CZ2 3.56Å; L105-W502 HydrophobicContact CD2-CD2 4.39Å; L105-W502 HydrophobicContact CD2-CZ2 4.07Å; L105-W502 VanDerWaalsContact CD2-NE1 3.27Å; L105-W502 HydrophobicContact CG-CZ2 3.96Å; F165-W502 HydrophobicContact CB-CB 4.09Å; A166-W502 HydrophobicContact CB-CB 3.88Å; A166-W502 HydrophobicContact CB-CD2 4.22Å; A166-W502 HydrophobicContact CB-CG 3.65Å; M169-W502 HydrophobicContact CB-CE3 4.07Å; M169-W502 HydrophobicContact CB-CZ3 4.28Å; M169-W502 HydrophobicContact CE-CE3 4.38Å; M169-W502 HydrophobicContact CE-CZ3 4.36Å; M169-W502 HydrophobicContact CG-CE3 4.46Å; M169-W502 HydrophobicContact SD-CE3 3.71Å; M169-W502 HydrophobicContact SD-CZ3 4.26Å; L170-W502 HydrophobicContact CD1-CD2 4.3Å; L170-W502 HydrophobicContact CD1-CE3 4.09Å; L170-W502 HydrophobicContact CD1-CH2 3.57Å; L170-W502 HydrophobicContact CD1-CZ2 3.75Å; L170-W502 HydrophobicContact CD1-CZ3 3.72Å; L170-W502 HydrophobicContact CD2-CE3 4.5Å; L170-W502 HydrophobicContact CD2-CH2 3.66Å; L170-W502 HydrophobicContact CD2-CZ3 3.56Å; L170-W502 HydrophobicContact CG-CE3 4.12Å; L170-W502 HydrophobicContact CG-CH2 3.91Å; L170-W502 HydrophobicContact CG-CZ3 3.63Å; L499-W502 WeakPolarHBondContact O-CB 3.42Å; L499-W502 PolarHBondContact O-N 3.44Å; A500-W502 PolarHBondContact O-N 2.7Å; A500-W502 VanDerWaalsContact O-N 3.11Å; W502-I504 PolarHBondContact O-N 3.12Å; W502-H505 HydrophobicContact CE3-CB 4.22Å; W502-H505 AromaticContact CZ3-CD2 3.63Å; W502-H505 CarbonylContact O-C 3.59Å; W502-H505 WeakPolarHBondContact O-CB 3.41Å; W502-H505 PolarHBondContact O-N 2.73Å; W502-W506 WeakPolarHBondContact O-CB 3.28Å; W502-W506 PolarHBondContact O-N 3.22Å
503	A	98.7	Very high	89.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-32.7	169.2	0	0	0	0	0	111.8	F165 L383 F445 A448 A500 I501 H505 N507	F165-A503 HydrophobicContact CB-CB 4.41Å; F165-A503 HydrophobicContact CD1-CB 4.33Å; F165-A503 HydrophobicContact CD2-CB 3.67Å; F165-A503 HydrophobicContact CE2-CB 3.95Å; F165-A503 HydrophobicContact CG-CB 3.87Å; F165-A503 HydrophobicContact CZ-CB 4.39Å; L383-A503 HydrophobicContact CD1-CB 4.21Å; F445-A503 HydrophobicContact CD2-CB 3.92Å; F445-A503 HydrophobicContact CE2-CB 4.38Å; A448-A503 HydrophobicContact CB-CB 3.75Å; A500-A503 WeakPolarHBondContact O-CB 3.47Å; A500-A503 PolarHBondContact O-N 3.41Å; I501-A503 VanDerWaalsContact C-N 3.28Å; I501-A503 PolarHBondContact O-N 3.44Å; A503-H505 VanDerWaalsContact C-N 3.34Å; A503-N507 PolarHBondContact O-N 3.47Å
504	I	98.5	Very high	86.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-45.4	171.2	-59.4	173.1	0	0	0	109.1	Y97 A447 A448 I451 F460 A463 I501 W502 W506 N507 L508	Y97-I504 HydrophobicContact CE2-CB 4.07Å; Y97-I504 HydrophobicContact CE2-CD1 4.12Å; Y97-I504 HydrophobicContact CE2-CG2 3.81Å; Y97-I504 WeakPolarHBondContact OH-CG2 3.3Å; A447-I504 HydrophobicContact CB-CD1 3.85Å; A447-I504 HydrophobicContact CB-CG1 4.37Å; A448-I504 HydrophobicContact CB-CG1 3.86Å; I451-I504 HydrophobicContact CD1-CG1 4.32Å; I451-I504 HydrophobicContact CD1-CG2 3.57Å; F460-I504 HydrophobicContact CE1-CG2 4.24Å; A463-I504 HydrophobicContact CB-CD1 3.9Å; I501-I504 HydrophobicContact CG1-CD1 4.38Å; I501-I504 WeakPolarHBondContact O-CB 3.19Å; I501-I504 PolarHBondContact O-N 3.39Å; W502-I504 PolarHBondContact O-N 3.12Å; I504-W506 PolarHBondContact O-N 3.4Å; I504-N507 PolarHBondContact O-N 3.09Å; I504-L508 HydrophobicContact CG2-CD1 3.65Å; I504-L508 HydrophobicContact CG2-CG 4.3Å; I504-L508 VanDerWaalsContact O-CG 3.23Å; I504-L508 WeakPolarHBondContact O-CG 3.43Å; I504-L508 PolarHBondContact O-N 2.78Å
505	H	97.4	Very high	83	Confident	26 Å²	26	42.8 Å²	42.8	12%	0.12	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-38.5	-179.2	-152.6	61.6	0	0	0	112.3	T87 Y97 V101 M169 W502 A503 N507 L508 T509	T87-H505 PolarHBondContact OG1-CE1 3.36Å; T87-H505 PolarHBondContact OG1-NE2 3.02Å; Y97-H505 WeakPolarHBondContact OH-CB 3.48Å; Y97-H505 PolarHBondContact OH-N 3.18Å; V101-H505 HydrophobicContact CG2-CB 4.27Å; M169-H505 HydrophobicContact CE-CB 4.32Å; M169-H505 HydrophobicContact SD-CB 4.3Å; W502-H505 HydrophobicContact CE3-CB 4.22Å; W502-H505 AromaticContact CZ3-CD2 3.63Å; W502-H505 CarbonylContact O-C 3.59Å; W502-H505 WeakPolarHBondContact O-CB 3.41Å; W502-H505 PolarHBondContact O-N 2.73Å; A503-H505 VanDerWaalsContact C-N 3.34Å; H505-N507 VanDerWaalsContact C-N 3.28Å; H505-N507 PolarHBondContact O-N 2.71Å; H505-L508 PolarHBondContact O-N 3.36Å; H505-L508 VanDerWaalsContact O-N 3.15Å; H505-T509 WeakPolarHBondContact O-CB 3.31Å; H505-T509 PolarHBondContact O-N 3.49Å; H505-T509 PolarHBondContact O-OG1 3.19Å
506	W	97.5	Very high	79.6	Confident	9 Å²	9	55.1 Å²	55.1	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-37.3	174	176.2	-98.8	0	0	0	112.9	F165 M169 R250 I253 A254 L383 W502 I504 R511	F165-W506 HydrophobicContact CD1-CB 3.78Å; F165-W506 AromaticContact CD1-CD1 3.71Å; F165-W506 AromaticContact CD1-CD2 3.75Å; F165-W506 HydrophobicContact CD1-CD2 3.75Å; F165-W506 HydrophobicContact CD1-CE3 4.35Å; F165-W506 AromaticContact CD1-CG 3.5Å; F165-W506 HydrophobicContact CD1-CG 3.5Å; F165-W506 VanDerWaalsContact CD1-CG 3.5Å; F165-W506 AromaticContact CD1-NE1 3.99Å; F165-W506 HydrophobicContact CE1-CB 4.41Å; F165-W506 AromaticContact CE1-CD1 3.49Å; F165-W506 VanDerWaalsContact CE1-CD1 3.49Å; F165-W506 HydrophobicContact CE1-CD2 4.09Å; F165-W506 AromaticContact CE1-CE2 3.96Å; F165-W506 AromaticContact CE1-CG 3.8Å; F165-W506 HydrophobicContact CE1-CG 3.8Å; F165-W506 AromaticContact CE1-NE1 3.54Å; M169-W506 HydrophobicContact CG-CE3 3.43Å; M169-W506 VanDerWaalsContact CG-CE3 3.43Å; M169-W506 HydrophobicContact CG-CZ3 4Å; M169-W506 VanDerWaalsContact SD-CA 3.51Å; M169-W506 HydrophobicContact SD-CB 3.67Å; M169-W506 HydrophobicContact SD-CE3 3.97Å; M169-W506 PolarHBondContact SD-N 2.95Å; M169-W506 VanDerWaalsContact SD-N 3.43Å; R250-W506 HydrophobicContact CG-CH2 3.85Å; R250-W506 HydrophobicContact CG-CZ2 3.5Å; I253-W506 HydrophobicContact CG2-CH2 4.37Å; I253-W506 HydrophobicContact CG2-CZ2 4.49Å; A254-W506 HydrophobicContact CB-CH2 4.05Å; A254-W506 HydrophobicContact CB-CZ3 4.26Å; L383-W506 PolarHBondContact O-NE1 3.16Å; W502-W506 WeakPolarHBondContact O-CB 3.28Å; W502-W506 PolarHBondContact O-N 3.22Å; I504-W506 PolarHBondContact O-N 3.4Å; W506-R511 VanDerWaalsContact CZ2-CZ 3.43Å; W506-R511 PolarHBondContact O-NH2 2.88Å
507	N	95.9	Very high	78.6	Confident	47 Å²	47	57.9 Å²	57.9	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-76.2	-35.3	175.1	-171.8	62.8	0	0	0	112.9	L383 I451 A452 A503 I504 H505 T509	L383-N507 HydrophobicContact CD2-CB 3.68Å; I451-N507 WeakPolarHBondContact CG2-ND2 3.28Å; A452-N507 WeakPolarHBondContact CA-ND2 3.5Å; A452-N507 WeakPolarHBondContact CB-OD1 3.38Å; A452-N507 PolarHBondContact N-ND2 3.28Å; A503-N507 PolarHBondContact O-N 3.47Å; I504-N507 PolarHBondContact O-N 3.09Å; H505-N507 VanDerWaalsContact C-N 3.28Å; H505-N507 PolarHBondContact O-N 2.71Å; N507-T509 VanDerWaalsContact C-N 3.34Å
508	L	94.1	Very high	77.5	Confident	34 Å²	34	60.8 Å²	60.8	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-81.4	-13.7	-176.9	-67.4	172.8	0	0	0	113.9	L93 Y97 I451 F460 I504 H505	L93-L508 HydrophobicContact CD2-CD1 3.75Å; Y97-L508 HydrophobicContact CE1-CD1 4.18Å; I451-L508 HydrophobicContact CG2-CD2 4.01Å; F460-L508 HydrophobicContact CZ-CD1 4.02Å; I504-L508 HydrophobicContact CG2-CD1 3.65Å; I504-L508 HydrophobicContact CG2-CG 4.3Å; I504-L508 VanDerWaalsContact O-CG 3.23Å; I504-L508 WeakPolarHBondContact O-CG 3.43Å; I504-L508 PolarHBondContact O-N 2.78Å; H505-L508 PolarHBondContact O-N 3.36Å; H505-L508 VanDerWaalsContact O-N 3.15Å
509	T	89.1	Confident	76.4	Confident	52 Å²	52	64.1 Å²	64.1	32%	0.319	32%	0.323	S	S	.	.	S	Bend	trans	-90.3	119.7	-179.8	-56.6	0	0	0	0	109.2	H505 N507 R511	H505-T509 WeakPolarHBondContact O-CB 3.31Å; H505-T509 PolarHBondContact O-N 3.49Å; H505-T509 PolarHBondContact O-OG1 3.19Å; N507-T509 VanDerWaalsContact C-N 3.34Å; T509-R511 PolarHBondContact O-N 3.1Å
510	P	70.7	Confident	75	Confident	98 Å²	98	67.8 Å²	67.8	64%	0.636	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-59	124.1	176.1	-19.6	30.7	0	0	0	110.2
511	R	65.7	Low	73.6	Confident	55 Å²	55	72.1 Å²	72.1	21%	0.208	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-99.9	116.9	168.3	-83.2	177.9	-95.7	150.1	6.5	108.8	L383 W506 T509 G513	L383-R511 PolarHBondContact O-NH1 3.28Å; L383-R511 VanDerWaalsContact O-NH1 3.1Å; L383-R511 PolarHBondContact O-NH2 3.15Å; W506-R511 VanDerWaalsContact CZ2-CZ 3.43Å; W506-R511 PolarHBondContact O-NH2 2.88Å; T509-R511 PolarHBondContact O-N 3.1Å; R511-G513 PolarHBondContact O-N 2.97Å; R511-G513 VanDerWaalsContact O-N 3.12Å
512	Y	38.2	Very low	71.9	Confident	231 Å²	231	76.9 Å²	76.9	91%	0.906	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	110.6	170.7	-75.4	-85.6	0	0	0	107.5
513	G	39.7	Very low	70	Confident	69 Å²	69	82.1 Å²	82.1	71%	0.711	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	123	-8.2	173.9	0	0	0	0	0	117.4	R511	R511-G513 PolarHBondContact O-N 2.97Å; R511-G513 VanDerWaalsContact O-N 3.12Å
514	C	35.8	Very low	67.8	Low	55 Å²	55	88.4 Å²	88.4	37%	0.372	45%	0.445	S	S	.	.			trans	-103.4	4.3	179.9	-59.8	0	0	0	0	114.9
515	Y	30.9	Very low	65.2	Low	207 Å²	207	95.8 Å²	95.8	81%	0.812	48%	0.483	S	S	*	.			trans	-106.6	85.6	169.2	-64.6	-78.2	0	0	0	108.3
516	E	27.2	Very low	62.3	Low	266 Å²	266	102.1 Å²	102.1	100%	1.243	52%	0.515	S	S	*	.			trans	-107	0	155.5	-77.1	-165.7	158.1	0	0	109.8

Retrieved 516 of 516 residues in 928.8 ms (Link to these results)

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