G4VLY7_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VLY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 405 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	30.1	Very low	250 Å²	250	145.6 Å²	145.6	100%	1.232	83%	0.828	S	S	*	*				0	110.1	0	-57.5	-177.8	-174	0	0	104.9
2	S	33.9	Very low	29.9	Very low	128 Å²	128	141.6 Å²	141.6	90%	0.895	82%	0.816	S	S	*	*			cis	-166.8	148.2	18.2	42.3	0	0	0	0	103.4
3	G	32.8	Very low	30.1	Very low	66 Å²	66	140.6 Å²	140.6	68%	0.68	81%	0.805	S	S	*	*			cis	174.6	135.6	4.3	0	0	0	0	0	103.9	T5	G3-T5 PolarHBondContact O-N 3.23Å
4	D	28.6	Very low	30.5	Very low	170 Å²	170	141.5 Å²	141.5	91%	0.909	81%	0.806	S	S	*	*			trans	-62.5	123.7	174.1	-65.3	-51.1	0	0	0	109.2
5	T	33.7	Very low	30.7	Very low	141 Å²	141	141.6 Å²	141.6	87%	0.865	80%	0.803	S	S	*	*			trans	-94.6	88.1	166.2	14.2	0	0	0	0	108.3	G3 A7	G3-T5 PolarHBondContact O-N 3.23Å; T5-A7 PolarHBondContact O-N 3.3Å
6	E	27.4	Very low	31.1	Very low	174 Å²	174	143.3 Å²	143.3	81%	0.813	81%	0.809	S	S	*	*			trans	-65.5	110.9	153.8	-84.4	-177.1	151.9	0	0	107.7	T8	E6-T8 PolarHBondContact O-N 2.96Å
7	A	28.8	Very low	31.4	Very low	85 Å²	85	145.4 Å²	145.4	70%	0.702	81%	0.811	S	S	*	*			trans	-72.1	94.7	169.8	0	0	0	0	0	109.1	T5 F9	T5-A7 PolarHBondContact O-N 3.3Å; A7-F9 HydrophobicContact CB-CD2 4.46Å; A7-F9 HydrophobicContact CB-CE2 4.28Å
8	T	25.2	Very low	31.5	Very low	114 Å²	114	146.2 Å²	146.2	70%	0.699	81%	0.813	S	S	*	*			trans	-82.6	110.8	165.8	-54	0	0	0	0	108.2	E6 I10	E6-T8 PolarHBondContact O-N 2.96Å; T8-I10 HydrophobicContact CG2-CG1 4.43Å
9	F	30.3	Very low	31.7	Very low	181 Å²	181	147.5 Å²	147.5	79%	0.794	82%	0.819	S	S	*	*			trans	-89.9	114.9	169.8	-86.5	-90.2	0	0	0	110	A7	A7-F9 HydrophobicContact CB-CD2 4.46Å; A7-F9 HydrophobicContact CB-CE2 4.28Å
10	I	27.3	Very low	31.6	Very low	149 Å²	149	148.5 Å²	148.5	76%	0.764	82%	0.821	S	S	*	*			trans	-95.6	114.6	165.4	-61	176.4	0	0	0	106.2	T8	T8-I10 HydrophobicContact CG2-CG1 4.43Å
11	L	31.5	Very low	31.6	Very low	144 Å²	144	145.4 Å²	145.4	75%	0.754	81%	0.814	S	S	*	*			trans	-98.4	108.1	167.9	-73.4	171.6	0	0	0	108.6
12	S	27.1	Very low	31.4	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-76.5	124	164.5	49.9	0	0	0	0	109
13	L	33.1	Very low	31.3	Very low	129 Å²	129	137.4 Å²	137.4	68%	0.675	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-99	116.1	165.9	-71.5	169.8	0	0	0	107.4	D15	L13-D15 PolarHBondContact O-N 3.32Å
14	D	35.5	Very low	31.2	Very low	153 Å²	153	144 Å²	144	82%	0.818	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.1	117.5	170.5	-68.1	-40.5	0	0	0	108.5
15	D	34.1	Very low	31.6	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	79%	0.791	S	S	*	*			trans	-85.7	104.9	173.1	-73.7	-37.8	0	0	0	109.7	L13	L13-D15 PolarHBondContact O-N 3.32Å
16	D	36.4	Very low	32.1	Very low	169 Å²	169	143.7 Å²	143.7	90%	0.904	78%	0.783	S	S	*	*			trans	-96.6	87.2	159.5	-90	-33.5	0	0	0	108.8
17	E	35.4	Very low	32.8	Very low	179 Å²	179	139.9 Å²	139.9	84%	0.836	77%	0.773	S	S	*	*			trans	-87	102.5	168.5	-81.4	-165.2	156.6	0	0	110.8
18	N	33.2	Very low	33.6	Very low	159 Å²	159	140 Å²	140	85%	0.85	76%	0.762	S	S	*	*			trans	-150.3	83.4	151.9	-94.2	-37.1	0	0	0	108.1
19	D	35.4	Very low	34.8	Very low	172 Å²	172	142.7 Å²	142.7	92%	0.92	76%	0.76	S	S	*	*			trans	-170.6	130	134.1	-100	-29.7	0	0	0	112.4
20	I	30.7	Very low	35.6	Very low	167 Å²	167	138.6 Å²	138.6	86%	0.856	75%	0.75	S	S	*	*			trans	-89.4	142.1	-171.5	-70.1	164.4	0	0	0	109.9
21	A	30.3	Very low	36.7	Very low	83 Å²	83	135 Å²	135	69%	0.686	73%	0.731	S	S	*	*			trans	94	121.7	154.4	0	0	0	0	0	120
22	S	28.7	Very low	37.2	Very low	113 Å²	113	133 Å²	133	79%	0.79	73%	0.725	S	S	*	*			trans	77.1	90.4	146.9	70	0	0	0	0	118.3
23	S	30.9	Very low	38.2	Very low	97 Å²	97	131.2 Å²	131.2	68%	0.678	72%	0.716	S	S	*	*			trans	174.4	145.5	130.9	44.1	0	0	0	0	109.9	Q25	S23-Q25 PolarHBondContact O-N 3.48Å; S23-Q25 VanDerWaalsContact O-N 3.13Å
24	H	32.6	Very low	38.4	Very low	205 Å²	205	130.7 Å²	130.7	95%	0.949	71%	0.714	S	S	*	*			trans	-45.9	114.9	170.8	-69.3	-57	0	0	0	111.4
25	Q	36.9	Very low	38.7	Very low	175 Å²	175	130.5 Å²	130.5	82%	0.818	70%	0.703	S	S	*	*			trans	-117	132.5	174.2	-75.9	-175	-6.5	0	0	110.6	S23	S23-Q25 PolarHBondContact O-N 3.48Å; S23-Q25 VanDerWaalsContact O-N 3.13Å
26	N	42.7	Very low	38.7	Very low	129 Å²	129	128.1 Å²	128.1	69%	0.69	70%	0.698	S	S	*	*			trans	-55.5	133.1	-166.1	-147.1	2.1	0	0	0	113	N28	N26-N28 PolarHBondContact O-N 3.29Å
27	P	42.6	Very low	38.9	Very low	94 Å²	94	123.9 Å²	123.9	61%	0.61	68%	0.678	S	S	*	*	S	Bend	trans	-74.4	0.7	178.6	30	-33.6	0	0	0	114.2
28	N	46.3	Very low	39	Very low	88 Å²	88	123.1 Å²	123.1	47%	0.471	68%	0.679	S	S	.	*			trans	-103.3	114.5	-178.6	-64.8	-3.6	0	0	0	110.2	N26 N49	N26-N28 PolarHBondContact O-N 3.29Å; N28-N49 PolarHBondContact OD1-OD1 3.01Å; N28-N49 VanDerWaalsContact OD1-OD1 3.11Å
29	R	50.7	Low	39.4	Very low	171 Å²	171	123.8 Å²	123.8	65%	0.645	68%	0.683	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	124.2	166.6	-76.5	-175.2	176.5	-176.4	-0.6	109.5	I48	R29-I48 PolarHBondContact O-N 3.4Å; R29-I48 VanDerWaalsContact O-N 3.17Å
30	T	47	Very low	39.7	Very low	95 Å²	95	118.9 Å²	118.9	58%	0.583	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105	125.4	170.3	-53.7	0	0	0	0	108.7	I46	T30-I46 WeakPolarHBondContact CA-O 3.31Å
31	I	50.8	Low	40.1	Very low	72 Å²	72	115.9 Å²	115.9	37%	0.369	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.3	124.6	172.2	-56.7	174.5	0	0	0	107.9	S45 I46	I31-S45 WeakPolarHBondContact O-CA 3.2Å; I31-I46 HydrophobicContact CB-CB 4.45Å; I31-I46 PolarHBondContact N-O 3.23Å; I31-I46 PolarHBondContact O-N 3.28Å
32	T	41.5	Very low	40.6	Very low	103 Å²	103	114.8 Å²	114.8	63%	0.632	63%	0.633	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.1	136.8	173	45	0	0	0	0	110.4	F44	T32-F44 WeakPolarHBondContact CA-O 3.21Å
33	A	46.7	Very low	41.1	Very low	60 Å²	60	116.1 Å²	116.1	50%	0.496	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.4	136	174	0	0	0	0	0	110.3	F44	A33-F44 PolarHBondContact N-O 3.4Å; A33-F44 PolarHBondContact O-N 2.69Å
34	D	39.2	Very low	41.5	Very low	117 Å²	117	116 Å²	116	63%	0.626	62%	0.615	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99	133.4	176.3	-64.6	-28.4	0	0	0	110
35	Y	41.7	Very low	41.9	Very low	150 Å²	150	108.6 Å²	108.6	59%	0.588	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115	138.2	165.8	-169.9	-103	0	0	0	110.3	T37	Y35-T37 HydrophobicContact CD1-CG2 4.43Å; Y35-T37 HydrophobicContact CE1-CG2 3.44Å; Y35-T37 VanDerWaalsContact CE1-CG2 3.44Å; Y35-T37 WeakPolarHBondContact OH-CG2 3.39Å
36	S	33.9	Very low	42.3	Very low	93 Å²	93	103.8 Å²	103.8	65%	0.65	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-128.9	118.9	-179.8	174.1	0	0	0	0	110.3
37	T	39	Very low	42.4	Very low	80 Å²	80	99.3 Å²	99.3	49%	0.491	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.1	160	48.6	0	0	0	0	108	Y35 N39	Y35-T37 HydrophobicContact CD1-CG2 4.43Å; Y35-T37 HydrophobicContact CE1-CG2 3.44Å; Y35-T37 VanDerWaalsContact CE1-CG2 3.44Å; Y35-T37 WeakPolarHBondContact OH-CG2 3.39Å; T37-N39 PolarHBondContact O-N 2.74Å
38	D	37.9	Very low	42.8	Very low	162 Å²	162	98.7 Å²	98.7	87%	0.866	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	35.7	74.4	171.1	-69.3	-19	0	0	0	115.7	T40	D38-T40 PolarHBondContact O-N 2.69Å
39	N	42.3	Very low	42.9	Very low	173 Å²	173	98.3 Å²	98.3	93%	0.925	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	18.9	169.5	-76.2	-16.2	0	0	0	118.5	T37	T37-N39 PolarHBondContact O-N 2.74Å
40	T	40.8	Very low	43	Very low	70 Å²	70	97.3 Å²	97.3	43%	0.429	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128	172.6	-37.4	0	0	0	0	111	D38 V42	D38-T40 PolarHBondContact O-N 2.69Å; T40-V42 HydrophobicContact CG2-CG2 4.47Å
41	V	39.3	Very low	43.1	Very low	103 Å²	103	100.6 Å²	100.6	62%	0.624	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.5	124.8	170.1	179.1	0	0	0	0	107.1
42	V	42	Very low	42.7	Very low	60 Å²	60	100.4 Å²	100.4	36%	0.364	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.9	114.6	172.1	-171.5	0	0	0	0	107.9	T40 F44	T40-V42 HydrophobicContact CG2-CG2 4.47Å; V42-F44 HydrophobicContact CB-CE2 3.94Å; V42-F44 HydrophobicContact CB-CZ 4.36Å; V42-F44 HydrophobicContact CG1-CD2 4.17Å; V42-F44 HydrophobicContact CG1-CE1 4.21Å; V42-F44 HydrophobicContact CG1-CE2 3.46Å; V42-F44 VanDerWaalsContact CG1-CE2 3.46Å; V42-F44 HydrophobicContact CG1-CZ 3.49Å; V42-F44 VanDerWaalsContact CG1-CZ 3.49Å
43	E	39.1	Very low	42.9	Very low	141 Å²	141	100.8 Å²	100.8	66%	0.659	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.6	130.2	171.8	-85.6	-177.2	166.8	0	0	109.7
44	F	39	Very low	42.4	Very low	96 Å²	96	103.2 Å²	103.2	42%	0.421	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.1	141.8	167	-64.3	-85.7	0	0	0	109.9	T32 A33 V42	T32-F44 WeakPolarHBondContact CA-O 3.21Å; A33-F44 PolarHBondContact N-O 3.4Å; A33-F44 PolarHBondContact O-N 2.69Å; V42-F44 HydrophobicContact CB-CE2 3.94Å; V42-F44 HydrophobicContact CB-CZ 4.36Å; V42-F44 HydrophobicContact CG1-CD2 4.17Å; V42-F44 HydrophobicContact CG1-CE1 4.21Å; V42-F44 HydrophobicContact CG1-CE2 3.46Å; V42-F44 VanDerWaalsContact CG1-CE2 3.46Å; V42-F44 HydrophobicContact CG1-CZ 3.49Å; V42-F44 VanDerWaalsContact CG1-CZ 3.49Å
45	S	40.4	Very low	42.5	Very low	48 Å²	48	103.1 Å²	103.1	34%	0.336	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.4	125.3	168.8	59.4	0	0	0	0	110.3	I31	I31-S45 WeakPolarHBondContact O-CA 3.2Å
46	I	45.7	Very low	42.5	Very low	74 Å²	74	102.1 Å²	102.1	38%	0.379	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.5	118	172.8	-59.3	172.1	0	0	0	106.8	T30 I31 I48	T30-I46 WeakPolarHBondContact CA-O 3.31Å; I31-I46 HydrophobicContact CB-CB 4.45Å; I31-I46 PolarHBondContact N-O 3.23Å; I31-I46 PolarHBondContact O-N 3.28Å; I46-I48 HydrophobicContact CG2-CG1 4.12Å
47	S	45.4	Very low	42.8	Very low	35 Å²	35	100.3 Å²	100.3	25%	0.245	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.7	119.3	171.9	-49.3	0	0	0	0	108.3
48	I	49.3	Very low	43.1	Very low	82 Å²	82	98.8 Å²	98.8	42%	0.421	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	113.7	173.9	-54.2	175.6	0	0	0	107.5	R29 I46	R29-I48 PolarHBondContact O-N 3.4Å; R29-I48 VanDerWaalsContact O-N 3.17Å; I46-I48 HydrophobicContact CG2-CG1 4.12Å
49	N	49.4	Very low	43.8	Very low	79 Å²	79	99.1 Å²	99.1	42%	0.422	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115	148	165.7	-71.1	-7.6	0	0	0	108.1	N28 D51 S52	N28-N49 PolarHBondContact OD1-OD1 3.01Å; N28-N49 VanDerWaalsContact OD1-OD1 3.11Å; N49-D51 PolarHBondContact O-N 3.14Å; N49-S52 PolarHBondContact O-N 3.45Å; N49-S52 VanDerWaalsContact O-N 3.14Å
50	D	52.7	Low	45.4	Very low	151 Å²	151	96.1 Å²	96.1	81%	0.807	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	-7.5	-170.1	-85.3	-28.3	0	0	0	117
51	D	49.9	Very low	47.6	Very low	164 Å²	164	95.9 Å²	95.9	88%	0.877	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	4.4	-178	-74	-45.6	0	0	0	115.5	N49	N49-D51 PolarHBondContact O-N 3.14Å
52	S	40.8	Very low	50.2	Low	68 Å²	68	93.1 Å²	93.1	48%	0.476	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	146.2	177.2	51.1	0	0	0	0	114.2	N49	N49-S52 PolarHBondContact O-N 3.45Å; N49-S52 VanDerWaalsContact O-N 3.14Å
53	V	46.7	Very low	52.7	Low	111 Å²	111	92.8 Å²	92.8	67%	0.673	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	104.7	165.1	-179.9	0	0	0	0	107.6	V55	V53-V55 HydrophobicContact CG1-CG2 4.39Å
54	E	36.2	Very low	55.4	Low	111 Å²	111	92.6 Å²	92.6	52%	0.519	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	110.5	167.7	-83.8	-169.9	165.6	0	0	109.4	K56	E54-K56 PolarHBondContact O-N 3.35Å; E54-K56 VanDerWaalsContact OE2-CE 3.31Å; E54-K56 WeakPolarHBondContact OE2-CE 3.3Å; E54-K56 IonicContact OE2-NZ 2.73Å
55	V	41.7	Very low	58.1	Low	114 Å²	114	93.1 Å²	93.1	69%	0.691	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	97.8	162.8	-177.3	0	0	0	0	107.1	V53 G57	V53-V55 HydrophobicContact CG1-CG2 4.39Å; V55-G57 PolarHBondContact O-N 3.18Å
56	K	40.7	Very low	60.8	Low	130 Å²	130	91.7 Å²	91.7	57%	0.565	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	95.8	166.4	-71.4	-174.4	180	175.4	0	107.7	E54	E54-K56 PolarHBondContact O-N 3.35Å; E54-K56 VanDerWaalsContact OE2-CE 3.31Å; E54-K56 WeakPolarHBondContact OE2-CE 3.3Å; E54-K56 IonicContact OE2-NZ 2.73Å
57	G	40.7	Very low	63.2	Low	55 Å²	55	89.5 Å²	89.5	57%	0.567	51%	0.51	S	S	*	.			trans	-55.7	140.9	166.6	0	0	0	0	0	109.6	V55	V55-G57 PolarHBondContact O-N 3.18Å
58	G	44.4	Very low	65.7	Low	47 Å²	47	90.5 Å²	90.5	49%	0.485	52%	0.52	S	S	.	.	S	Bend	trans	-43.9	145.1	-169.9	0	0	0	0	0	114.3	S60	G58-S60 PolarHBondContact O-N 3.03Å
59	D	53.4	Low	67.9	Low	169 Å²	169	90.4 Å²	90.4	90%	0.904	52%	0.515	S	S	*	.			trans	-33	108.2	-177	-108.3	-16.4	0	0	0	111.6	M61	D59-M61 PolarHBondContact O-N 3.13Å
60	S	75.9	Confident	70.2	Confident	110 Å²	110	86.7 Å²	86.7	77%	0.769	50%	0.495	S	S	*	.			trans	-69.1	105.1	-177.4	64.2	0	0	0	0	108.4	G58 S62	G58-S60 PolarHBondContact O-N 3.03Å; S60-S62 PolarHBondContact O-N 3.37Å
61	M	87.6	Confident	72.3	Confident	65 Å²	65	81.2 Å²	81.2	32%	0.32	47%	0.474	S	S	.	.			trans	-48.9	127.7	177.5	-65.2	175.4	70.2	0	0	110.5	D59 E65 Q66 W69 V358	D59-M61 PolarHBondContact O-N 3.13Å; M61-E65 HydrophobicContact CB-CB 4.09Å; M61-E65 HydrophobicContact CE-CB 4Å; M61-E65 WeakPolarHBondContact CE-O 3.42Å; M61-Q66 HydrophobicContact CB-CG 3.81Å; M61-Q66 PolarHBondContact O-NE2 3.43Å; M61-W69 HydrophobicContact CE-CB 3.7Å; M61-W69 HydrophobicContact CE-CG 4.11Å; M61-V358 HydrophobicContact CE-CG2 4.31Å; M61-V358 HydrophobicContact SD-CG1 4.48Å; M61-V358 HydrophobicContact SD-CG2 4.22Å
62	S	94.1	Very high	74.5	Confident	45 Å²	45	78 Å²	78	32%	0.315	46%	0.457	S	S	.	.			trans	-57	161.3	168.8	62.3	0	0	0	0	111.2	S60 E64 E65 Q66	S60-S62 PolarHBondContact O-N 3.37Å; S62-E64 PolarHBondContact O-N 3.15Å; S62-E65 WeakPolarHBondContact CB-OE2 3.31Å; S62-E65 PolarHBondContact N-OE2 3.06Å; S62-E65 PolarHBondContact O-N 2.86Å; S62-E65 VanDerWaalsContact O-N 3.16Å; S62-E65 WeakPolarHBondContact OG-CB 3.33Å; S62-E65 WeakPolarHBondContact OG-CG 3.49Å; S62-E65 PolarHBondContact OG-N 2.85Å; S62-E65 PolarHBondContact OG-OE2 3.35Å; S62-Q66 VanDerWaalsContact O-CG 3.31Å; S62-Q66 WeakPolarHBondContact O-CG 3Å; S62-Q66 PolarHBondContact O-N 2.74Å
63	L	94.1	Very high	77.2	Confident	54 Å²	54	76.1 Å²	76.1	28%	0.283	44%	0.439	S	S	.	.	H	α-helix	trans	-59.1	-40.9	178	178.6	59.9	0	0	0	110.7	E65 Q66 L67 C348	L63-E65 VanDerWaalsContact C-N 3.35Å; L63-E65 PolarHBondContact O-N 2.66Å; L63-Q66 PolarHBondContact O-N 2.87Å; L63-L67 HydrophobicContact CD1-CG 4.25Å; L63-L67 HydrophobicContact CG-CD1 4.29Å; L63-L67 HydrophobicContact CG-CG 4.42Å; L63-L67 VanDerWaalsContact O-CG 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.24Å; L63-L67 PolarHBondContact O-N 3.32Å; L63-C348 HydrophobicContact CD2-CB 4.36Å
64	E	94.7	Very high	79.6	Confident	137 Å²	137	71.7 Å²	71.7	64%	0.64	41%	0.412	S	S	*	.	H	α-helix	trans	-59.6	-43.6	176.4	-66.6	76.6	-169.8	0	0	112	S62 L67 A68	S62-E64 PolarHBondContact O-N 3.15Å; E64-L67 PolarHBondContact O-N 2.98Å; E64-A68 WeakPolarHBondContact O-CB 3.36Å; E64-A68 PolarHBondContact O-N 2.77Å
65	E	96.6	Very high	82.5	Confident	107 Å²	107	71.5 Å²	71.5	50%	0.5	41%	0.411	S	S	.	.	H	α-helix	trans	-66.3	-39.8	175.8	-73.2	162.3	148.8	0	0	112	M61 S62 L63 A68 W69	M61-E65 HydrophobicContact CB-CB 4.09Å; M61-E65 HydrophobicContact CE-CB 4Å; M61-E65 WeakPolarHBondContact CE-O 3.42Å; S62-E65 WeakPolarHBondContact CB-OE2 3.31Å; S62-E65 PolarHBondContact N-OE2 3.06Å; S62-E65 PolarHBondContact O-N 2.86Å; S62-E65 VanDerWaalsContact O-N 3.16Å; S62-E65 WeakPolarHBondContact OG-CB 3.33Å; S62-E65 WeakPolarHBondContact OG-CG 3.49Å; S62-E65 PolarHBondContact OG-N 2.85Å; S62-E65 PolarHBondContact OG-OE2 3.35Å; L63-E65 VanDerWaalsContact C-N 3.35Å; L63-E65 PolarHBondContact O-N 2.66Å; E65-A68 PolarHBondContact O-N 3.23Å; E65-W69 VanDerWaalsContact O-CB 3.29Å; E65-W69 WeakPolarHBondContact O-CB 3.34Å; E65-W69 PolarHBondContact O-N 3.07Å
66	Q	96.8	Very high	85.1	Confident	17 Å²	17	72.8 Å²	72.8	8%	0.079	41%	0.408	C	S	.	.	H	α-helix	trans	-62.7	-42.9	175.6	-68.1	173.8	43.9	0	0	111.8	M61 S62 L63 F70 N356 V358	M61-Q66 HydrophobicContact CB-CG 3.81Å; M61-Q66 PolarHBondContact O-NE2 3.43Å; S62-Q66 VanDerWaalsContact O-CG 3.31Å; S62-Q66 WeakPolarHBondContact O-CG 3Å; S62-Q66 PolarHBondContact O-N 2.74Å; L63-Q66 PolarHBondContact O-N 2.87Å; Q66-F70 PolarHBondContact O-N 3.43Å; Q66-F70 VanDerWaalsContact O-N 3.13Å; Q66-N356 PolarHBondContact OE1-OD1 2.88Å; Q66-V358 HydrophobicContact CB-CG2 3.83Å; Q66-V358 HydrophobicContact CG-CG2 3.76Å
67	L	96.4	Very high	87.7	Confident	28 Å²	28	67.8 Å²	67.8	15%	0.147	39%	0.386	C	S	.	.	H	α-helix	trans	-65.9	-44.6	177	-66.5	179.3	0	0	0	111.4	L63 E64 F70 G71 K347	L63-L67 HydrophobicContact CD1-CG 4.25Å; L63-L67 HydrophobicContact CG-CD1 4.29Å; L63-L67 HydrophobicContact CG-CG 4.42Å; L63-L67 VanDerWaalsContact O-CG 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.24Å; L63-L67 PolarHBondContact O-N 3.32Å; E64-L67 PolarHBondContact O-N 2.98Å; L67-F70 PolarHBondContact O-N 3.11Å; L67-G71 PolarHBondContact O-N 3.47Å; L67-K347 HydrophobicContact CD2-CB 3.95Å; L67-K347 HydrophobicContact CD2-CD 3.67Å; L67-K347 HydrophobicContact CD2-CG 4.41Å
68	A	96.9	Very high	90.4	Very high	57 Å²	57	67.2 Å²	67.2	47%	0.471	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-45.7	176.8	0	0	0	0	0	111.7	E64 E65 F70 G71 D72	E64-A68 WeakPolarHBondContact O-CB 3.36Å; E64-A68 PolarHBondContact O-N 2.77Å; E65-A68 PolarHBondContact O-N 3.23Å; A68-F70 VanDerWaalsContact C-N 3.32Å; A68-F70 PolarHBondContact O-N 2.98Å; A68-G71 PolarHBondContact O-N 2.93Å; A68-G71 VanDerWaalsContact O-N 3.13Å; A68-D72 PolarHBondContact O-N 3.29Å
69	W	96.8	Very high	92.8	Very high	79 Å²	79	73.1 Å²	73.1	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-57.4	-44.1	176.4	178	93.4	0	0	0	112.4	M61 E65 G71 D72 Y73 V358 Y361	M61-W69 HydrophobicContact CE-CB 3.7Å; M61-W69 HydrophobicContact CE-CG 4.11Å; E65-W69 VanDerWaalsContact O-CB 3.29Å; E65-W69 WeakPolarHBondContact O-CB 3.34Å; E65-W69 PolarHBondContact O-N 3.07Å; W69-G71 VanDerWaalsContact C-N 3.35Å; W69-D72 PolarHBondContact O-N 3.29Å; W69-Y73 PolarHBondContact O-N 3.46Å; W69-V358 HydrophobicContact CD2-CG1 4.43Å; W69-V358 HydrophobicContact CD2-CG2 4.11Å; W69-V358 HydrophobicContact CE3-CG1 4.33Å; W69-V358 HydrophobicContact CE3-CG2 3.74Å; W69-V358 HydrophobicContact CG-CG2 4.48Å; W69-V358 HydrophobicContact CZ3-CG1 4.37Å; W69-V358 HydrophobicContact CZ3-CG2 4.32Å; W69-Y361 AromaticContact CH2-CD1 3.41Å; W69-Y361 HydrophobicContact CH2-CD1 3.41Å; W69-Y361 VanDerWaalsContact CH2-CD1 3.41Å; W69-Y361 AromaticContact CH2-CE1 3.57Å; W69-Y361 HydrophobicContact CH2-CE1 3.57Å; W69-Y361 HydrophobicContact CH2-CG 4.13Å; W69-Y361 HydrophobicContact CZ2-CE1 4.48Å; W69-Y361 AromaticContact CZ3-CD1 3.91Å; W69-Y361 HydrophobicContact CZ3-CD1 3.91Å; W69-Y361 HydrophobicContact CZ3-CE1 4.39Å; W69-Y361 HydrophobicContact CZ3-CG 4.19Å
70	F	96.2	Very high	94.8	Very high	1 Å²	1	68.2 Å²	68.2	0%	0.004	35%	0.354	C	S	.	.	H	α-helix	trans	-68	-37	178.2	-158.5	-97.2	0	0	0	111.4	Q66 L67 A68 Y73 L74 F155 L207 E210 Y361	Q66-F70 PolarHBondContact O-N 3.43Å; Q66-F70 VanDerWaalsContact O-N 3.13Å; L67-F70 PolarHBondContact O-N 3.11Å; A68-F70 VanDerWaalsContact C-N 3.32Å; A68-F70 PolarHBondContact O-N 2.98Å; F70-Y73 HydrophobicContact CD2-CD1 4.35Å; F70-Y73 HydrophobicContact CE2-CD1 4.07Å; F70-Y73 HydrophobicContact CE2-CE1 4.36Å; F70-Y73 HydrophobicContact CZ-CD1 4.27Å; F70-Y73 HydrophobicContact CZ-CE1 4.4Å; F70-Y73 WeakPolarHBondContact O-CB 3.25Å; F70-Y73 PolarHBondContact O-N 3.19Å; F70-L74 HydrophobicContact CD1-CD1 3.75Å; F70-L74 HydrophobicContact CD1-CD2 4.39Å; F70-L74 HydrophobicContact CD1-CG 3.91Å; F70-L74 HydrophobicContact CE1-CD1 3.75Å; F70-L74 HydrophobicContact CE1-CD2 3.77Å; F70-L74 HydrophobicContact CE1-CG 3.8Å; F70-L74 HydrophobicContact CZ-CD2 4.25Å; F70-L74 VanDerWaalsContact O-CG 3.31Å; F70-L74 WeakPolarHBondContact O-CG 3.39Å; F70-L74 PolarHBondContact O-N 2.96Å; F70-F155 HydrophobicContact CE2-CE2 4.11Å; F70-F155 HydrophobicContact CE2-CZ 4.04Å; F70-F155 AromaticContact CZ-CE2 3.8Å; F70-F155 HydrophobicContact CZ-CE2 3.8Å; F70-F155 AromaticContact CZ-CZ 3.68Å; F70-F155 HydrophobicContact CZ-CZ 3.68Å; F70-L207 HydrophobicContact CD1-CD2 4.42Å; F70-L207 HydrophobicContact CD2-CD2 4.1Å; F70-L207 HydrophobicContact CE1-CD2 4.09Å; F70-L207 HydrophobicContact CE2-CD2 3.79Å; F70-L207 HydrophobicContact CG-CD2 4.42Å; F70-L207 HydrophobicContact CZ-CB 4.27Å; F70-L207 HydrophobicContact CZ-CD2 3.78Å; F70-E210 HydrophobicContact CD1-CG 4.1Å; F70-E210 VanDerWaalsContact CD1-OE1 3.3Å; F70-E210 WeakPolarHBondContact CD1-OE1 3.28Å; F70-E210 WeakPolarHBondContact CD1-OE2 3.39Å; F70-E210 HydrophobicContact CE1-CB 4.06Å; F70-E210 HydrophobicContact CE1-CG 3.73Å; F70-E210 WeakPolarHBondContact CE1-OE2 3.29Å; F70-Y361 AromaticContact CE2-CD2 3.84Å; F70-Y361 HydrophobicContact CE2-CD2 3.84Å; F70-Y361 HydrophobicContact CE2-CE2 4.43Å; F70-Y361 HydrophobicContact CE2-CG 4.36Å
71	G	96.7	Very high	95.8	Very high	36 Å²	36	63 Å²	63	37%	0.371	32%	0.318	S	S	.	.	H	α-helix	trans	-57.4	-47.8	172	0	0	0	0	0	112.9	L67 A68 W69 Y73 L74 E75	L67-G71 PolarHBondContact O-N 3.47Å; A68-G71 PolarHBondContact O-N 2.93Å; A68-G71 VanDerWaalsContact O-N 3.13Å; W69-G71 VanDerWaalsContact C-N 3.35Å; G71-Y73 VanDerWaalsContact C-N 3.32Å; G71-Y73 PolarHBondContact O-N 3.22Å; G71-L74 PolarHBondContact O-N 3.46Å; G71-E75 PolarHBondContact O-N 2.82Å
72	D	97	Very high	96.2	Very high	96 Å²	96	63.6 Å²	63.6	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-38	176.7	-72.6	-10.9	0	0	0	112.1	A68 W69 E75 K76	A68-D72 PolarHBondContact O-N 3.29Å; W69-D72 PolarHBondContact O-N 3.29Å; D72-E75 PolarHBondContact O-N 3.37Å; D72-K76 WeakPolarHBondContact O-CG 3.47Å; D72-K76 PolarHBondContact O-N 3.31Å
73	Y	97.4	Very high	96.2	Very high	29 Å²	29	68 Å²	68	11%	0.114	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-49	173.4	166.5	-97.2	0	0	0	111.5	W69 F70 G71 E75 K76 E77 F155 Y211 Y361	W69-Y73 PolarHBondContact O-N 3.46Å; F70-Y73 HydrophobicContact CD2-CD1 4.35Å; F70-Y73 HydrophobicContact CE2-CD1 4.07Å; F70-Y73 HydrophobicContact CE2-CE1 4.36Å; F70-Y73 HydrophobicContact CZ-CD1 4.27Å; F70-Y73 HydrophobicContact CZ-CE1 4.4Å; F70-Y73 WeakPolarHBondContact O-CB 3.25Å; F70-Y73 PolarHBondContact O-N 3.19Å; G71-Y73 VanDerWaalsContact C-N 3.32Å; G71-Y73 PolarHBondContact O-N 3.22Å; Y73-E75 VanDerWaalsContact C-N 3.31Å; Y73-E75 PolarHBondContact O-N 3.29Å; Y73-K76 PolarHBondContact O-N 3.13Å; Y73-E77 HydrophobicContact CD1-CG 4.41Å; Y73-E77 HydrophobicContact CD2-CG 4.19Å; Y73-E77 HydrophobicContact CE1-CG 3.85Å; Y73-E77 HydrophobicContact CE2-CG 3.6Å; Y73-E77 VanDerWaalsContact CZ-CG 3.43Å; Y73-E77 PolarHBondContact O-N 3.21Å; Y73-F155 HydrophobicContact CE1-CD2 4.01Å; Y73-F155 AromaticContact CE1-CE2 3.65Å; Y73-F155 HydrophobicContact CE1-CE2 3.65Å; Y73-F155 WeakPolarHBondContact OH-CD2 3.48Å; Y73-Y211 HydrophobicContact CE1-CD2 4.14Å; Y73-Y211 HydrophobicContact CE1-CE2 4.44Å; Y73-Y361 AromaticContact CE1-CE2 3.97Å; Y73-Y361 HydrophobicContact CE1-CE2 3.97Å; Y73-Y361 HydrophobicContact CE2-CE2 4.18Å; Y73-Y361 AromaticContact CE2-CZ 3.78Å; Y73-Y361 WeakPolarHBondContact CE2-OH 3.34Å; Y73-Y361 AromaticContact CZ-CE2 3.71Å; Y73-Y361 AromaticContact CZ-CZ 3.79Å; Y73-Y361 VanDerWaalsContact CZ-OH 3.28Å; Y73-Y361 PolarHBondContact OH-OH 3.28Å
74	L	97.5	Very high	96.3	Very high	19 Å²	19	68.8 Å²	68.8	10%	0.099	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-35.1	179.5	-66.2	176.2	0	0	0	112.6	F70 G71 K76 E77 S78 E210 Y211	F70-L74 HydrophobicContact CD1-CD1 3.75Å; F70-L74 HydrophobicContact CD1-CD2 4.39Å; F70-L74 HydrophobicContact CD1-CG 3.91Å; F70-L74 HydrophobicContact CE1-CD1 3.75Å; F70-L74 HydrophobicContact CE1-CD2 3.77Å; F70-L74 HydrophobicContact CE1-CG 3.8Å; F70-L74 HydrophobicContact CZ-CD2 4.25Å; F70-L74 VanDerWaalsContact O-CG 3.31Å; F70-L74 WeakPolarHBondContact O-CG 3.39Å; F70-L74 PolarHBondContact O-N 2.96Å; G71-L74 PolarHBondContact O-N 3.46Å; L74-K76 VanDerWaalsContact C-N 3.35Å; L74-E77 PolarHBondContact O-N 3.35Å; L74-S78 WeakPolarHBondContact O-CB 3.22Å; L74-S78 PolarHBondContact O-N 3.08Å; L74-E210 HydrophobicContact CD1-CG 3.87Å; L74-Y211 HydrophobicContact CD2-CD2 3.9Å; L74-Y211 HydrophobicContact CD2-CG 4.49Å
75	E	96.4	Very high	96.3	Very high	107 Å²	107	64 Å²	64	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-42.4	175.9	-163.1	-164.3	145.9	0	0	111.6	G71 D72 Y73 R79	G71-E75 PolarHBondContact O-N 2.82Å; D72-E75 PolarHBondContact O-N 3.37Å; Y73-E75 VanDerWaalsContact C-N 3.31Å; Y73-E75 PolarHBondContact O-N 3.29Å; E75-R79 IonicContact OE1-CZ 3.06Å; E75-R79 IonicContact OE1-NH2 2.7Å; E75-R79 PolarHBondContact OE1-NH2 3.43Å
76	K	96.2	Very high	96.2	Very high	141 Å²	141	62.3 Å²	62.3	61%	0.613	31%	0.313	S	S	*	.	H	α-helix	trans	-64.1	-47.5	176.1	-68.4	170.3	-174.2	169.4	0	111	D72 Y73 L74 S78 R79	D72-K76 WeakPolarHBondContact O-CG 3.47Å; D72-K76 PolarHBondContact O-N 3.31Å; Y73-K76 PolarHBondContact O-N 3.13Å; L74-K76 VanDerWaalsContact C-N 3.35Å; K76-S78 VanDerWaalsContact C-N 3.32Å; K76-S78 PolarHBondContact O-N 3Å; K76-R79 PolarHBondContact O-N 3.25Å
77	E	96.9	Very high	96	Very high	25 Å²	25	68 Å²	68	12%	0.117	34%	0.339	C	S	.	.	H	α-helix	trans	-64.7	-34	179.9	-73.8	-63.4	125.6	0	0	112.8	Y73 L74 R79 I80 F81 Y211 F215	Y73-E77 HydrophobicContact CD1-CG 4.41Å; Y73-E77 HydrophobicContact CD2-CG 4.19Å; Y73-E77 HydrophobicContact CE1-CG 3.85Å; Y73-E77 HydrophobicContact CE2-CG 3.6Å; Y73-E77 VanDerWaalsContact CZ-CG 3.43Å; Y73-E77 PolarHBondContact O-N 3.21Å; L74-E77 PolarHBondContact O-N 3.35Å; E77-R79 PolarHBondContact O-N 3.05Å; E77-I80 PolarHBondContact O-N 2.99Å; E77-I80 VanDerWaalsContact O-N 3.07Å; E77-F81 WeakPolarHBondContact O-CB 3.19Å; E77-F81 PolarHBondContact O-N 3.27Å; E77-Y211 HydrophobicContact CB-CE2 4.03Å; E77-Y211 HydrophobicContact CG-CE2 4.07Å; E77-F215 HydrophobicContact CB-CZ 3.87Å
78	S	95.3	Very high	95.5	Very high	42 Å²	42	69.2 Å²	69.2	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-56.6	-38.3	176.5	-175.9	0	0	0	0	112.5	L74 K76 F81 E82 F215	L74-S78 WeakPolarHBondContact O-CB 3.22Å; L74-S78 PolarHBondContact O-N 3.08Å; K76-S78 VanDerWaalsContact C-N 3.32Å; K76-S78 PolarHBondContact O-N 3Å; S78-F81 PolarHBondContact O-N 3.33Å; S78-E82 PolarHBondContact O-N 2.93Å; S78-F215 VanDerWaalsContact CA-CE1 3.4Å
79	R	95.4	Very high	94.8	Very high	172 Å²	172	71.4 Å²	71.4	65%	0.649	36%	0.356	S	S	*	.	H	α-helix	trans	-67.2	-41.3	177	-59.1	177.9	-170.4	-177.1	4	111.6	E75 K76 E77 Q83	E75-R79 IonicContact OE1-CZ 3.06Å; E75-R79 IonicContact OE1-NH2 2.7Å; E75-R79 PolarHBondContact OE1-NH2 3.43Å; K76-R79 PolarHBondContact O-N 3.25Å; E77-R79 PolarHBondContact O-N 3.05Å; R79-Q83 PolarHBondContact O-N 2.78Å
80	I	95.9	Very high	93.9	Very high	66 Å²	66	75.9 Å²	75.9	34%	0.338	38%	0.38	S	S	.	.	H	α-helix	trans	-67.2	-45.1	177.9	-60.7	172.2	0	0	0	110.1	E77 Q83 K84	E77-I80 PolarHBondContact O-N 2.99Å; E77-I80 VanDerWaalsContact O-N 3.07Å; I80-Q83 PolarHBondContact O-N 3.13Å; I80-K84 HydrophobicContact CG2-CD 4.21Å; I80-K84 PolarHBondContact O-N 3.39Å
81	F	96.7	Very high	93.1	Very high	1 Å²	1	77.6 Å²	77.6	0%	0.004	39%	0.392	C	S	.	.	H	α-helix	trans	-58.1	-51	177.5	175.5	-95.3	0	0	0	111.2	E77 S78 Q83 K84 W85 A152 I153 F215 L217 K245	E77-F81 WeakPolarHBondContact O-CB 3.19Å; E77-F81 PolarHBondContact O-N 3.27Å; S78-F81 PolarHBondContact O-N 3.33Å; F81-Q83 VanDerWaalsContact C-N 3.29Å; F81-Q83 PolarHBondContact O-N 3.46Å; F81-K84 PolarHBondContact O-N 3.27Å; F81-W85 HydrophobicContact CE1-CB 4.18Å; F81-W85 HydrophobicContact CE1-CD2 4.41Å; F81-W85 HydrophobicContact CE1-CE3 4.48Å; F81-W85 HydrophobicContact CE1-CG 4.28Å; F81-W85 HydrophobicContact CE2-CE3 4.2Å; F81-W85 HydrophobicContact CZ-CB 4.33Å; F81-W85 HydrophobicContact CZ-CD2 4.06Å; F81-W85 AromaticContact CZ-CE3 3.7Å; F81-W85 HydrophobicContact CZ-CE3 3.7Å; F81-W85 HydrophobicContact CZ-CG 4.33Å; F81-W85 HydrophobicContact CZ-CZ3 4.37Å; F81-W85 WeakPolarHBondContact O-CB 3.46Å; F81-W85 PolarHBondContact O-N 2.7Å; F81-A152 HydrophobicContact CD2-CB 3.78Å; F81-A152 WeakPolarHBondContact CD2-O 3.44Å; F81-A152 HydrophobicContact CE2-CB 3.59Å; F81-A152 HydrophobicContact CZ-CB 4.44Å; F81-I153 HydrophobicContact CD2-CG2 4.25Å; F81-I153 HydrophobicContact CE2-CG2 4.04Å; F81-F215 HydrophobicContact CB-CD1 4.24Å; F81-F215 HydrophobicContact CB-CD2 4Å; F81-F215 HydrophobicContact CB-CE1 4.21Å; F81-F215 HydrophobicContact CB-CE2 3.89Å; F81-F215 HydrophobicContact CB-CG 4.18Å; F81-F215 HydrophobicContact CB-CZ 4.04Å; F81-F215 HydrophobicContact CD1-CB 3.74Å; F81-F215 HydrophobicContact CD1-CD1 4.14Å; F81-F215 HydrophobicContact CD1-CD2 4.03Å; F81-F215 AromaticContact CD1-CG 3.7Å; F81-F215 HydrophobicContact CD1-CG 3.7Å; F81-F215 HydrophobicContact CD2-CB 4.38Å; F81-F215 AromaticContact CD2-CD2 3.47Å; F81-F215 HydrophobicContact CD2-CD2 3.47Å; F81-F215 VanDerWaalsContact CD2-CD2 3.47Å; F81-F215 AromaticContact CD2-CE2 3.93Å; F81-F215 HydrophobicContact CD2-CE2 3.93Å; F81-F215 HydrophobicContact CD2-CG 4.02Å; F81-F215 HydrophobicContact CE1-CB 3.59Å; F81-F215 HydrophobicContact CE1-CD2 4.42Å; F81-F215 HydrophobicContact CE1-CG 4.06Å; F81-F215 HydrophobicContact CE2-CB 4.27Å; F81-F215 AromaticContact CE2-CD2 3.93Å; F81-F215 HydrophobicContact CE2-CD2 3.93Å; F81-F215 HydrophobicContact CE2-CG 4.38Å; F81-F215 HydrophobicContact CG-CB 4.14Å; F81-F215 HydrophobicContact CG-CD1 4.17Å; F81-F215 AromaticContact CG-CD2 3.54Å; F81-F215 HydrophobicContact CG-CD2 3.54Å; F81-F215 AromaticContact CG-CE2 3.94Å; F81-F215 HydrophobicContact CG-CE2 3.94Å; F81-F215 AromaticContact CG-CG 3.68Å; F81-F215 HydrophobicContact CG-CG 3.68Å; F81-F215 HydrophobicContact CG-CZ 4.47Å; F81-F215 HydrophobicContact CZ-CB 3.88Å; F81-F215 HydrophobicContact CZ-CD2 4.38Å; F81-F215 HydrophobicContact CZ-CG 4.4Å; F81-L217 HydrophobicContact CE2-CD1 3.77Å; F81-L217 HydrophobicContact CZ-CD1 3.92Å; F81-L217 HydrophobicContact CZ-CD2 4.37Å; F81-L217 HydrophobicContact CZ-CG 4.23Å; F81-K245 HydrophobicContact CE1-CD 4.45Å
82	E	95.6	Very high	92.6	Very high	77 Å²	77	83.6 Å²	83.6	36%	0.36	42%	0.416	S	S	.	.	H	α-helix	trans	-63.9	-33.8	-179.3	-74.8	-62.3	166.1	0	0	112.7	S78 S86 K245	S78-E82 PolarHBondContact O-N 2.93Å; E82-S86 VanDerWaalsContact O-CB 3.24Å; E82-S86 WeakPolarHBondContact O-CB 3.19Å; E82-S86 PolarHBondContact O-N 2.82Å; E82-S86 PolarHBondContact O-OG 3.41Å; E82-K245 IonicContact OE1-NZ 2.69Å; E82-K245 PolarHBondContact OE1-NZ 2.97Å; E82-K245 IonicContact OE2-NZ 3.18Å; E82-K245 PolarHBondContact OE2-NZ 2.85Å
83	Q	95.5	Very high	92.4	Very high	138 Å²	138	79.3 Å²	79.3	65%	0.645	39%	0.394	S	S	*	.	H	α-helix	trans	-62.5	-51.7	173.4	-175.1	-179.6	6.2	0	0	111.4	R79 I80 F81 S86 H87	R79-Q83 PolarHBondContact O-N 2.78Å; I80-Q83 PolarHBondContact O-N 3.13Å; F81-Q83 VanDerWaalsContact C-N 3.29Å; F81-Q83 PolarHBondContact O-N 3.46Å; Q83-S86 PolarHBondContact O-N 3.16Å; Q83-H87 PolarHBondContact O-N 3.42Å; Q83-H87 PolarHBondContact O-ND1 3.06Å
84	K	95.2	Very high	92.3	Very high	70 Å²	70	81.6 Å²	81.6	30%	0.304	41%	0.411	S	S	.	.	H	α-helix	trans	-66.9	-37.1	179.4	-69.1	178.8	173.3	-175.8	0	112.5	I80 F81 H87 A152	I80-K84 HydrophobicContact CG2-CD 4.21Å; I80-K84 PolarHBondContact O-N 3.39Å; F81-K84 PolarHBondContact O-N 3.27Å; K84-H87 CarbonylContact O-C 3.53Å; K84-H87 VanDerWaalsContact O-C 3.27Å; K84-A152 HydrophobicContact CB-CB 4.08Å
85	W	95.2	Very high	92.2	Very high	36 Å²	36	81.5 Å²	81.5	14%	0.136	41%	0.41	C	S	.	.	H	α-helix	trans	-66	-40.4	178.4	-177.9	-96.1	0	0	0	112.3	F81 K148 I149 A152 K245	F81-W85 HydrophobicContact CE1-CB 4.18Å; F81-W85 HydrophobicContact CE1-CD2 4.41Å; F81-W85 HydrophobicContact CE1-CE3 4.48Å; F81-W85 HydrophobicContact CE1-CG 4.28Å; F81-W85 HydrophobicContact CE2-CE3 4.2Å; F81-W85 HydrophobicContact CZ-CB 4.33Å; F81-W85 HydrophobicContact CZ-CD2 4.06Å; F81-W85 AromaticContact CZ-CE3 3.7Å; F81-W85 HydrophobicContact CZ-CE3 3.7Å; F81-W85 HydrophobicContact CZ-CG 4.33Å; F81-W85 HydrophobicContact CZ-CZ3 4.37Å; F81-W85 WeakPolarHBondContact O-CB 3.46Å; F81-W85 PolarHBondContact O-N 2.7Å; W85-K148 HydrophobicContact CD2-CG 4.43Å; W85-K148 HydrophobicContact CE3-CD 4.42Å; W85-K148 HydrophobicContact CE3-CG 3.95Å; W85-K148 HydrophobicContact CH2-CB 4.48Å; W85-K148 HydrophobicContact CH2-CD 3.86Å; W85-K148 HydrophobicContact CH2-CG 3.95Å; W85-K148 HydrophobicContact CZ2-CD 3.95Å; W85-K148 HydrophobicContact CZ2-CG 4.43Å; W85-K148 HydrophobicContact CZ3-CB 4.24Å; W85-K148 HydrophobicContact CZ3-CD 4.11Å; W85-K148 HydrophobicContact CZ3-CG 3.69Å; W85-K148 WeakPolarHBondContact O-CE 3.31Å; W85-I149 HydrophobicContact CH2-CG1 4.16Å; W85-I149 HydrophobicContact CZ3-CG1 3.72Å; W85-A152 HydrophobicContact CB-CB 4.37Å; W85-A152 HydrophobicContact CE3-CB 4.13Å; W85-K245 HydrophobicContact CD2-CD 4.2Å; W85-K245 HydrophobicContact CH2-CB 4.05Å; W85-K245 HydrophobicContact CH2-CD 4.25Å; W85-K245 HydrophobicContact CZ2-CB 4.01Å; W85-K245 HydrophobicContact CZ2-CD 3.67Å; W85-K245 HydrophobicContact CZ2-CG 4.46Å
86	S	94.1	Very high	92.1	Very high	72 Å²	72	82.5 Å²	82.5	50%	0.503	42%	0.419	S	S	.	.	H	α-helix	trans	-78.9	-29.2	179.3	-57.3	0	0	0	0	112.7	E82 Q83 P88	E82-S86 VanDerWaalsContact O-CB 3.24Å; E82-S86 WeakPolarHBondContact O-CB 3.19Å; E82-S86 PolarHBondContact O-N 2.82Å; E82-S86 PolarHBondContact O-OG 3.41Å; Q83-S86 PolarHBondContact O-N 3.16Å; S86-P88 VanDerWaalsContact C-CD 3.46Å; S86-P88 WeakPolarHBondContact O-CD 3.44Å
87	H	92.4	Very high	92.2	Very high	136 Å²	136	78.5 Å²	78.5	63%	0.63	40%	0.403	S	S	*	.	S	Bend	trans	-126	73.7	179.5	-52.3	89.3	0	0	0	111	Q83 K84 T89	Q83-H87 PolarHBondContact O-N 3.42Å; Q83-H87 PolarHBondContact O-ND1 3.06Å; K84-H87 CarbonylContact O-C 3.53Å; K84-H87 VanDerWaalsContact O-C 3.27Å; H87-T89 PolarHBondContact O-N 3.33Å
88	P	87	Confident	92.2	Very high	54 Å²	54	77.5 Å²	77.5	35%	0.351	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-47.2	124.4	173.6	-32.9	39.4	0	0	0	112.2	S86 Q90 Q151	S86-P88 VanDerWaalsContact C-CD 3.46Å; S86-P88 WeakPolarHBondContact O-CD 3.44Å; P88-Q90 PolarHBondContact O-N 3.08Å; P88-Q151 VanDerWaalsContact CB-NE2 3.26Å
89	T	80.9	Confident	92.3	Very high	103 Å²	103	79.1 Å²	79.1	63%	0.632	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-73.1	129	175.1	-56.9	0	0	0	0	109.1	H87	H87-T89 PolarHBondContact O-N 3.33Å
90	Q	78	Confident	92.4	Very high	173 Å²	173	76.6 Å²	76.6	81%	0.808	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-86.5	129.4	168.1	-68.8	-171.7	-8.8	0	0	109.1	P88	P88-Q90 PolarHBondContact O-N 3.08Å
91	S	80.7	Confident	92.4	Very high	37 Å²	37	77.3 Å²	77.3	26%	0.259	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-88.9	138.2	174.4	-165.3	0	0	0	0	110.4	A93 S164	S91-A93 WeakPolarHBondContact OG-CB 3.34Å; S91-A93 PolarHBondContact OG-N 3.43Å; S91-S164 WeakPolarHBondContact CB-O 3.39Å
92	N	84.5	Confident	92.4	Very high	161 Å²	161	78.9 Å²	78.9	86%	0.861	41%	0.405	S	S	*	.			trans	-86.9	8.5	169.6	-67.7	-31.3	0	0	0	112.5
93	A	93.3	Very high	92.4	Very high	7 Å²	7	75.2 Å²	75.2	6%	0.058	39%	0.387	C	S	.	.			trans	-64.5	149.3	176.9	0	0	0	0	0	111	S91 F98 F163 F165	S91-A93 WeakPolarHBondContact OG-CB 3.34Å; S91-A93 PolarHBondContact OG-N 3.43Å; A93-F98 HydrophobicContact CB-CE2 4.33Å; A93-F163 HydrophobicContact CB-CB 3.84Å; A93-F163 HydrophobicContact CB-CD1 3.89Å; A93-F163 HydrophobicContact CB-CG 4.05Å; A93-F165 HydrophobicContact CB-CD1 3.81Å; A93-F165 HydrophobicContact CB-CE1 4.18Å; A93-F165 WeakPolarHBondContact O-CB 3.11Å; A93-F165 WeakPolarHBondContact O-CG 3.12Å
94	T	94.8	Very high	92.3	Very high	76 Å²	76	69.3 Å²	69.3	47%	0.466	36%	0.36	S	S	.	.			trans	-135.1	160.9	174.8	65.7	0	0	0	0	109.6	N96 Q97 F98	T94-N96 PolarHBondContact O-N 2.91Å; T94-N96 VanDerWaalsContact O-N 3.07Å; T94-Q97 VanDerWaalsContact O-CB 3.28Å; T94-Q97 WeakPolarHBondContact O-CB 3.4Å; T94-Q97 PolarHBondContact O-N 2.74Å; T94-F98 WeakPolarHBondContact O-CD2 3.43Å
95	L	95.5	Very high	92.2	Very high	17 Å²	17	66.7 Å²	66.7	9%	0.089	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-55	-32.2	178.6	-173.7	66.3	0	0	0	112.9	Q97 F98 M126 F165 Y172 L390 I392	L95-Q97 PolarHBondContact O-N 2.91Å; L95-F98 PolarHBondContact O-N 3.27Å; L95-M126 HydrophobicContact CD1-CE 4.2Å; L95-M126 HydrophobicContact CD1-SD 3.78Å; L95-F165 HydrophobicContact CB-CE2 4Å; L95-F165 HydrophobicContact CB-CZ 4.44Å; L95-F165 VanDerWaalsContact N-CE2 3.29Å; L95-Y172 HydrophobicContact CD1-CD1 4.24Å; L95-Y172 HydrophobicContact CD1-CE1 3.74Å; L95-L390 HydrophobicContact CD1-CD2 4.09Å; L95-L390 HydrophobicContact CD2-CD2 3.58Å; L95-L390 HydrophobicContact CG-CD2 4.48Å; L95-I392 HydrophobicContact CD2-CD1 3.7Å
96	N	95.8	Very high	92	Very high	129 Å²	129	68.8 Å²	68.8	69%	0.69	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-68.4	-18.3	-178.1	-72.3	-19.6	0	0	0	113.9	T94 F98 K118	T94-N96 PolarHBondContact O-N 2.91Å; T94-N96 VanDerWaalsContact O-N 3.07Å; N96-F98 PolarHBondContact O-N 2.79Å; N96-K118 WeakPolarHBondContact O-CD 3.39Å; N96-K118 WeakPolarHBondContact O-CE 3.48Å; N96-K118 PolarHBondContact O-NZ 3.28Å
97	Q	96.9	Very high	91.6	Very high	57 Å²	57	67.9 Å²	67.9	27%	0.266	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-67.5	-21.4	175.4	178.4	176.8	-18.7	0	0	112.5	T94 L95 D117 K118	T94-Q97 VanDerWaalsContact O-CB 3.28Å; T94-Q97 WeakPolarHBondContact O-CB 3.4Å; T94-Q97 PolarHBondContact O-N 2.74Å; L95-Q97 PolarHBondContact O-N 2.91Å; Q97-D117 PolarHBondContact NE2-OD2 3.05Å; Q97-K118 WeakPolarHBondContact O-CB 3.34Å; Q97-K118 VanDerWaalsContact O-CG 3.29Å; Q97-K118 WeakPolarHBondContact O-CG 3.44Å; Q97-K118 PolarHBondContact O-N 3.17Å
98	F	98	Very high	91.1	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.018	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.6	-170.3	-56.5	-83.4	0	0	0	112	A93 T94 L95 N96 V115 K116 D117 Y124 M126 F163 F165 V174	A93-F98 HydrophobicContact CB-CE2 4.33Å; T94-F98 WeakPolarHBondContact O-CD2 3.43Å; L95-F98 PolarHBondContact O-N 3.27Å; N96-F98 PolarHBondContact O-N 2.79Å; F98-V115 HydrophobicContact CB-CB 4.03Å; F98-V115 HydrophobicContact CB-CG2 4.18Å; F98-V115 HydrophobicContact CD1-CG2 3.81Å; F98-V115 HydrophobicContact CG-CG2 4.19Å; F98-K116 CarbonylContact C-O 3.41Å; F98-K116 WeakPolarHBondContact CA-O 3.37Å; F98-D117 HydrophobicContact CD1-CB 4.2Å; F98-D117 HydrophobicContact CE1-CB 4.09Å; F98-Y124 HydrophobicContact CE1-CD2 4.16Å; F98-M126 HydrophobicContact CB-CE 3.94Å; F98-M126 HydrophobicContact CD1-CE 4.43Å; F98-M126 HydrophobicContact CD2-CE 3.48Å; F98-M126 VanDerWaalsContact CD2-CE 3.48Å; F98-M126 HydrophobicContact CE2-CE 4.08Å; F98-M126 HydrophobicContact CG-CE 3.69Å; F98-F163 HydrophobicContact CE1-CD2 4.32Å; F98-F163 HydrophobicContact CE1-CE2 4.37Å; F98-F163 AromaticContact CZ-CD2 3.83Å; F98-F163 HydrophobicContact CZ-CD2 3.83Å; F98-F163 HydrophobicContact CZ-CE2 4.17Å; F98-F163 HydrophobicContact CZ-CG 4.28Å; F98-F165 HydrophobicContact CD2-CE1 4.45Å; F98-F165 HydrophobicContact CD2-CZ 4.41Å; F98-F165 AromaticContact CE2-CE1 3.88Å; F98-F165 HydrophobicContact CE2-CE1 3.88Å; F98-F165 HydrophobicContact CE2-CZ 4.28Å; F98-V174 HydrophobicContact CE1-CG1 4.03Å; F98-V174 HydrophobicContact CE2-CG2 4.22Å; F98-V174 HydrophobicContact CZ-CG1 4.14Å; F98-V174 HydrophobicContact CZ-CG2 4.1Å
99	D	97.6	Very high	91.1	Very high	76 Å²	76	65.1 Å²	65.1	41%	0.406	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.2	163.1	-72.1	-41	0	0	0	109	V115 K116 K118	D99-V115 CarbonylContact O-C 3.58Å; D99-V115 WeakPolarHBondContact O-CA 3.44Å; D99-V115 WeakPolarHBondContact O-CB 3.38Å; D99-K116 PolarHBondContact N-O 3.26Å; D99-K116 PolarHBondContact O-N 3.11Å; D99-K118 WeakPolarHBondContact OD1-CE 3.44Å; D99-K118 IonicContact OD1-NZ 2.79Å; D99-K118 WeakPolarHBondContact OD2-CG 3.46Å
100	R	96.5	Very high	91.5	Very high	118 Å²	118	61.3 Å²	61.3	45%	0.445	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.5	176.4	-61.5	-177.2	-59.4	-79.5	-2.7	109.4	M113 V115	R100-M113 HydrophobicContact CB-CE 4.07Å; R100-V115 HydrophobicContact CG-CG1 4.15Å
101	I	96.2	Very high	92.3	Very high	81 Å²	81	54.5 Å²	54.5	42%	0.415	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-61.3	-169.8	-59.8	179.9	0	0	0	111.4	L114 K116 Y123	I101-L114 HydrophobicContact CB-CB 4.38Å; I101-L114 HydrophobicContact CB-CD2 4.24Å; I101-L114 HydrophobicContact CB-CG 4.26Å; I101-L114 WeakPolarHBondContact CB-O 3.24Å; I101-L114 HydrophobicContact CD1-CD2 4.35Å; I101-L114 HydrophobicContact CD1-CG 4.38Å; I101-L114 HydrophobicContact CG2-CD2 4.07Å; I101-L114 PolarHBondContact N-O 2.9Å; I101-K116 HydrophobicContact CD1-CB 3.85Å; I101-Y123 HydrophobicContact CD1-CD1 3.95Å; I101-Y123 HydrophobicContact CD1-CE1 3.46Å; I101-Y123 VanDerWaalsContact CD1-CE1 3.46Å
102	K	95.9	Very high	93.1	Very high	35 Å²	35	54.8 Å²	54.8	15%	0.152	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	143.5	-173.1	-176.3	179.9	179.8	179.1	0	110.7	L104 M113 L114 T379 D384 E387	K102-L104 PolarHBondContact O-N 3.09Å; K102-M113 CarbonylContact O-C 3.58Å; K102-M113 VanDerWaalsContact O-CA 3.28Å; K102-M113 WeakPolarHBondContact O-CA 3.46Å; K102-L114 PolarHBondContact O-N 3.5Å; K102-T379 HydrophobicContact CD-CG2 4.21Å; K102-T379 WeakPolarHBondContact CD-OG1 3.46Å; K102-D384 VanDerWaalsContact CE-OD1 3.25Å; K102-D384 WeakPolarHBondContact CE-OD1 3.4Å; K102-D384 IonicContact NZ-OD1 2.78Å; K102-D384 PolarHBondContact NZ-OD1 3.39Å; K102-E387 WeakPolarHBondContact CA-OE1 3.4Å
103	T	96.6	Very high	93.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	120.1	168.1	-62.9	0	0	0	0	109.7	T106 R111 V112 Y385 E387	T103-T106 HydrophobicContact CG2-CG2 3.97Å; T103-R111 HydrophobicContact CG2-CB 4.41Å; T103-V112 CarbonylContact C-O 3.46Å; T103-Y385 HydrophobicContact CG2-CD2 4.5Å; T103-Y385 HydrophobicContact CG2-CG 4.22Å; T103-E387 PolarHBondContact N-OE1 3.47Å; T103-E387 PolarHBondContact N-OE2 3.33Å; T103-E387 PolarHBondContact OG1-OE2 3.35Å
104	L	93.8	Very high	93.9	Very high	14 Å²	14	47.3 Å²	47.3	7%	0.073	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-23.8	178.7	-63.2	174.5	0	0	0	112.4	K102 V112 L114 A125 F177 T379 F382 Y385	K102-L104 PolarHBondContact O-N 3.09Å; L104-V112 HydrophobicContact CB-CG1 4.38Å; L104-V112 HydrophobicContact CD1-CG1 4.31Å; L104-V112 PolarHBondContact N-O 2.98Å; L104-L114 HydrophobicContact CD1-CB 4.06Å; L104-L114 HydrophobicContact CD2-CB 4.08Å; L104-L114 HydrophobicContact CG-CB 4.03Å; L104-A125 HydrophobicContact CD1-CB 4.16Å; L104-F177 HydrophobicContact CD1-CD2 3.81Å; L104-F177 HydrophobicContact CD1-CE2 3.64Å; L104-F177 HydrophobicContact CD2-CE2 4.06Å; L104-T379 HydrophobicContact CD2-CG2 3.73Å; L104-F382 HydrophobicContact CB-CD1 4.23Å; L104-F382 HydrophobicContact CD2-CB 4.3Å; L104-F382 HydrophobicContact CD2-CD1 4.25Å; L104-F382 HydrophobicContact CD2-CD2 4.03Å; L104-F382 HydrophobicContact CD2-CE2 4.43Å; L104-F382 HydrophobicContact CD2-CG 3.93Å; L104-Y385 VanDerWaalsContact O-CE2 3.31Å; L104-Y385 WeakPolarHBondContact O-CE2 3.08Å
105	G	92.2	Very high	94.1	Very high	15 Å²	15	43.7 Å²	43.7	16%	0.155	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	158.4	-179.2	0	0	0	0	0	112.3	R111 V112	G105-R111 CarbonylContact O-C 3.53Å; G105-R111 WeakPolarHBondContact O-CA 3.46Å; G105-V112 PolarHBondContact N-O 2.89Å; G105-V112 PolarHBondContact O-N 3.02Å
106	T	91.9	Very high	94.2	Very high	80 Å²	80	45 Å²	45	49%	0.491	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.8	178.6	58.1	0	0	0	0	110.7	T103 R111 Y385	T103-T106 HydrophobicContact CG2-CG2 3.97Å; T106-R111 HydrophobicContact CG2-CB 4.37Å; T106-Y385 HydrophobicContact CG2-CD1 3.88Å; T106-Y385 HydrophobicContact CG2-CE1 4.49Å; T106-Y385 HydrophobicContact CG2-CG 4.37Å
107	G	84.7	Confident	94.3	Very high	53 Å²	53	39 Å²	39	55%	0.546	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	179.9	176.7	0	0	0	0	0	112.3	F109 G110	G107-F109 VanDerWaalsContact C-N 3.28Å; G107-F109 PolarHBondContact O-N 2.72Å; G107-G110 PolarHBondContact N-O 3.11Å; G107-G110 VanDerWaalsContact O-O 3.13Å
108	S	82.6	Confident	94.3	Very high	93 Å²	93	40.9 Å²	40.9	65%	0.65	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.9	-175.7	52.2	0	0	0	0	114.6
109	F	87.6	Confident	94.2	Very high	38 Å²	38	49.8 Å²	49.8	17%	0.167	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	8.6	-178.6	48.2	-88.7	0	0	0	113.6	G107 L129 E130 K133 V134 L137	G107-F109 VanDerWaalsContact C-N 3.28Å; G107-F109 PolarHBondContact O-N 2.72Å; F109-L129 HydrophobicContact CD2-CB 4.2Å; F109-L129 HydrophobicContact CD2-CD1 4.11Å; F109-L129 HydrophobicContact CD2-CD2 3.49Å; F109-L129 VanDerWaalsContact CD2-CD2 3.49Å; F109-L129 HydrophobicContact CD2-CG 4.12Å; F109-L129 HydrophobicContact CE2-CD1 3.81Å; F109-L129 HydrophobicContact CE2-CD2 3.44Å; F109-L129 VanDerWaalsContact CE2-CD2 3.44Å; F109-L129 HydrophobicContact CE2-CG 4.14Å; F109-E130 PolarHBondContact O-N 2.92Å; F109-K133 HydrophobicContact CB-CB 4.21Å; F109-V134 HydrophobicContact CB-CG2 4.04Å; F109-V134 HydrophobicContact CD2-CG2 3.83Å; F109-V134 HydrophobicContact CG-CG2 4.2Å; F109-L137 HydrophobicContact CB-CD1 4.38Å
110	G	89.3	Confident	94.2	Very high	23 Å²	23	49.6 Å²	49.6	24%	0.237	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-166	-172.1	0	0	0	0	0	114.7	G107 I128	G107-G110 PolarHBondContact N-O 3.11Å; G107-G110 VanDerWaalsContact O-O 3.13Å; G110-I128 CarbonylContact C-O 3.56Å; G110-I128 WeakPolarHBondContact CA-O 3.4Å
111	R	95	Very high	94.2	Very high	31 Å²	31	48.7 Å²	48.7	12%	0.117	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	160.4	177.4	59.1	178.2	54	-170.1	-13.7	110.9	T103 G105 T106 M113 I128 E388	T103-R111 HydrophobicContact CG2-CB 4.41Å; G105-R111 CarbonylContact O-C 3.53Å; G105-R111 WeakPolarHBondContact O-CA 3.46Å; T106-R111 HydrophobicContact CG2-CB 4.37Å; R111-M113 HydrophobicContact CG-CG 4.25Å; R111-I128 HydrophobicContact CG-CB 4.25Å; R111-I128 HydrophobicContact CG-CD1 4.43Å; R111-I128 PolarHBondContact N-O 3.32Å; R111-I128 PolarHBondContact O-N 3.16Å; R111-E388 IonicContact CZ-OE2 2.69Å; R111-E388 VanDerWaalsContact NH1-N 3.19Å; R111-E388 PolarHBondContact NH1-O 2.86Å; R111-E388 VanDerWaalsContact NH1-O 3.1Å; R111-E388 IonicContact NH2-OE2 2.63Å; R111-E388 PolarHBondContact NH2-OE2 2.69Å
112	V	96.1	Very high	94.2	Very high	42 Å²	42	50 Å²	50	26%	0.255	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.8	171.5	-176.2	0	0	0	0	107.6	T103 L104 G105 A125 M126 K127	T103-V112 CarbonylContact C-O 3.46Å; L104-V112 HydrophobicContact CB-CG1 4.38Å; L104-V112 HydrophobicContact CD1-CG1 4.31Å; L104-V112 PolarHBondContact N-O 2.98Å; G105-V112 PolarHBondContact N-O 2.89Å; G105-V112 PolarHBondContact O-N 3.02Å; V112-A125 HydrophobicContact CG1-CB 3.9Å; V112-M126 CarbonylContact C-O 3.58Å; V112-M126 WeakPolarHBondContact CA-O 3.36Å; V112-K127 HydrophobicContact CG2-CB 4.23Å; V112-K127 HydrophobicContact CG2-CG 4.2Å
113	M	97.3	Very high	94.3	Very high	11 Å²	11	51.1 Å²	51.1	5%	0.054	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.3	178.4	-61	-171.1	77.5	0	0	110.7	R100 K102 R111 V115 A125 M126 I128	R100-M113 HydrophobicContact CB-CE 4.07Å; K102-M113 CarbonylContact O-C 3.58Å; K102-M113 VanDerWaalsContact O-CA 3.28Å; K102-M113 WeakPolarHBondContact O-CA 3.46Å; R111-M113 HydrophobicContact CG-CG 4.25Å; M113-V115 HydrophobicContact CB-CG1 4.33Å; M113-V115 PolarHBondContact O-N 3.22Å; M113-A125 CarbonylContact O-C 3.59Å; M113-M126 PolarHBondContact N-O 3.11Å; M113-M126 PolarHBondContact O-N 2.88Å; M113-I128 HydrophobicContact CG-CD1 3.98Å; M113-I128 HydrophobicContact SD-CD1 3.65Å
114	L	97.7	Very high	94.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	126.5	160.8	-177.7	66	0	0	0	108.2	I101 K102 L104 Y123 Y124 F177 T379	I101-L114 HydrophobicContact CB-CB 4.38Å; I101-L114 HydrophobicContact CB-CD2 4.24Å; I101-L114 HydrophobicContact CB-CG 4.26Å; I101-L114 WeakPolarHBondContact CB-O 3.24Å; I101-L114 HydrophobicContact CD1-CD2 4.35Å; I101-L114 HydrophobicContact CD1-CG 4.38Å; I101-L114 HydrophobicContact CG2-CD2 4.07Å; I101-L114 PolarHBondContact N-O 2.9Å; K102-L114 PolarHBondContact O-N 3.5Å; L104-L114 HydrophobicContact CD1-CB 4.06Å; L104-L114 HydrophobicContact CD2-CB 4.08Å; L104-L114 HydrophobicContact CG-CB 4.03Å; L114-Y123 HydrophobicContact CD1-CD1 3.88Å; L114-Y123 HydrophobicContact CD1-CG 4.45Å; L114-Y123 HydrophobicContact CD2-CD1 4.07Å; L114-Y123 HydrophobicContact CD2-CE1 4.4Å; L114-Y123 HydrophobicContact CG-CD1 4.08Å; L114-Y124 WeakPolarHBondContact CA-O 3.17Å; L114-F177 HydrophobicContact CD1-CB 4.32Å; L114-F177 HydrophobicContact CD1-CD1 3.72Å; L114-F177 HydrophobicContact CD1-CD2 3.8Å; L114-F177 HydrophobicContact CD1-CE1 3.9Å; L114-F177 HydrophobicContact CD1-CE2 4Å; L114-F177 HydrophobicContact CD1-CG 3.66Å; L114-F177 HydrophobicContact CD1-CZ 4.05Å; L114-T379 HydrophobicContact CD2-CG2 3.48Å; L114-T379 VanDerWaalsContact CD2-CG2 3.48Å
115	V	98.2	Very high	94.5	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.5	174.5	-54.5	0	0	0	0	110.5	F98 D99 R100 M113 Y123 Y124 M126	F98-V115 HydrophobicContact CB-CB 4.03Å; F98-V115 HydrophobicContact CB-CG2 4.18Å; F98-V115 HydrophobicContact CD1-CG2 3.81Å; F98-V115 HydrophobicContact CG-CG2 4.19Å; D99-V115 CarbonylContact O-C 3.58Å; D99-V115 WeakPolarHBondContact O-CA 3.44Å; D99-V115 WeakPolarHBondContact O-CB 3.38Å; R100-V115 HydrophobicContact CG-CG1 4.15Å; M113-V115 HydrophobicContact CB-CG1 4.33Å; M113-V115 PolarHBondContact O-N 3.22Å; V115-Y123 CarbonylContact O-C 3.51Å; V115-Y123 WeakPolarHBondContact O-CA 3.47Å; V115-Y124 PolarHBondContact N-O 3.43Å; V115-Y124 PolarHBondContact O-N 3.34Å; V115-M126 HydrophobicContact CG1-CB 3.65Å; V115-M126 HydrophobicContact CG1-CE 4.1Å; V115-M126 HydrophobicContact CG1-SD 4.15Å; V115-M126 HydrophobicContact CG2-CB 4Å; V115-M126 HydrophobicContact CG2-CE 4.16Å
116	K	98.3	Very high	94.8	Very high	45 Å²	45	51.3 Å²	51.3	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.6	173.3	-169.7	-178.9	-163.3	-172.6	0	109.9	F98 D99 I101 K118 Q121 M122 Y123	F98-K116 CarbonylContact C-O 3.41Å; F98-K116 WeakPolarHBondContact CA-O 3.37Å; D99-K116 PolarHBondContact N-O 3.26Å; D99-K116 PolarHBondContact O-N 3.11Å; I101-K116 HydrophobicContact CD1-CB 3.85Å; K116-K118 PolarHBondContact O-N 2.88Å; K116-Q121 WeakPolarHBondContact CE-O 3.48Å; K116-M122 CarbonylContact C-O 3.27Å; K116-M122 WeakPolarHBondContact CA-O 3.39Å; K116-Y123 HydrophobicContact CB-CD1 4.3Å; K116-Y123 HydrophobicContact CB-CE1 4.27Å; K116-Y123 HydrophobicContact CD-CE1 4.19Å; K116-Y123 HydrophobicContact CD-CE2 4.23Å; K116-Y123 HydrophobicContact CG-CD1 4.5Å; K116-Y123 HydrophobicContact CG-CE1 4.35Å; K116-Y123 HydrophobicContact CG-CE2 4.48Å
117	D	97.7	Very high	95.1	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123	171.3	-177.7	-47.2	0	0	0	109.1	Q97 F98 K119 T120 Q121 M122 Y124	Q97-D117 PolarHBondContact NE2-OD2 3.05Å; F98-D117 HydrophobicContact CD1-CB 4.2Å; F98-D117 HydrophobicContact CE1-CB 4.09Å; D117-K119 PolarHBondContact O-N 3.09Å; D117-K119 WeakPolarHBondContact OD1-CA 3.38Å; D117-K119 WeakPolarHBondContact OD1-CB 3.38Å; D117-K119 PolarHBondContact OD1-N 3.17Å; D117-T120 VanDerWaalsContact CB-OG1 3.3Å; D117-T120 WeakPolarHBondContact CB-OG1 3.3Å; D117-T120 VanDerWaalsContact CG-OG1 3.31Å; D117-T120 PolarHBondContact OD1-N 3.46Å; D117-Q121 WeakPolarHBondContact O-CA 3.47Å; D117-Q121 PolarHBondContact O-N 3.05Å; D117-M122 PolarHBondContact N-O 3.23Å; D117-Y124 HydrophobicContact CB-CD2 4.33Å; D117-Y124 HydrophobicContact CB-CE2 3.95Å
118	K	97.6	Very high	95.7	Very high	97 Å²	97	46.2 Å²	46.2	42%	0.422	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.2	-176.9	-72.4	170.9	178.7	171.3	0	113.3	N96 Q97 D99 K116 Q121	N96-K118 WeakPolarHBondContact O-CD 3.39Å; N96-K118 WeakPolarHBondContact O-CE 3.48Å; N96-K118 PolarHBondContact O-NZ 3.28Å; Q97-K118 WeakPolarHBondContact O-CB 3.34Å; Q97-K118 VanDerWaalsContact O-CG 3.29Å; Q97-K118 WeakPolarHBondContact O-CG 3.44Å; Q97-K118 PolarHBondContact O-N 3.17Å; D99-K118 WeakPolarHBondContact OD1-CE 3.44Å; D99-K118 IonicContact OD1-NZ 2.79Å; D99-K118 WeakPolarHBondContact OD2-CG 3.46Å; K116-K118 PolarHBondContact O-N 2.88Å; K118-Q121 PolarHBondContact O-NE2 2.98Å
119	K	96.3	Very high	96.4	Very high	190 Å²	190	41.9 Å²	41.9	83%	0.826	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-52.8	-177.8	-176.4	-175.5	177.1	-173.3	0	111.2	D117	D117-K119 PolarHBondContact O-N 3.09Å; D117-K119 WeakPolarHBondContact OD1-CA 3.38Å; D117-K119 WeakPolarHBondContact OD1-CB 3.38Å; D117-K119 PolarHBondContact OD1-N 3.17Å
120	T	96.1	Very high	96.8	Very high	73 Å²	73	42.9 Å²	42.9	45%	0.448	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.8	-173.8	66	0	0	0	0	113	D117 M122	D117-T120 VanDerWaalsContact CB-OG1 3.3Å; D117-T120 WeakPolarHBondContact CB-OG1 3.3Å; D117-T120 VanDerWaalsContact CG-OG1 3.31Å; D117-T120 PolarHBondContact OD1-N 3.46Å; T120-M122 PolarHBondContact O-N 2.96Å; T120-M122 WeakPolarHBondContact OG1-CB 3.4Å; T120-M122 PolarHBondContact OG1-N 3.48Å
121	Q	96.5	Very high	97.2	Very high	98 Å²	98	42 Å²	42	46%	0.458	20%	0.198	S	C	.	.			trans	62.4	11.7	-173.6	-58.8	-67.4	-58.8	0	0	114.1	K116 D117 K118	K116-Q121 WeakPolarHBondContact CE-O 3.48Å; D117-Q121 WeakPolarHBondContact O-CA 3.47Å; D117-Q121 PolarHBondContact O-N 3.05Å; K118-Q121 PolarHBondContact O-NE2 2.98Å
122	M	96.5	Very high	97.3	Very high	108 Å²	108	44.7 Å²	44.7	53%	0.532	21%	0.212	S	C	.	.			trans	-76.9	144.9	176.3	-67.6	-62.3	-66.8	0	0	111.4	K116 D117 T120 Y124	K116-M122 CarbonylContact C-O 3.27Å; K116-M122 WeakPolarHBondContact CA-O 3.39Å; D117-M122 PolarHBondContact N-O 3.23Å; T120-M122 PolarHBondContact O-N 2.96Å; T120-M122 WeakPolarHBondContact OG1-CB 3.4Å; T120-M122 PolarHBondContact OG1-N 3.48Å; M122-Y124 HydrophobicContact CB-CD2 4.49Å; M122-Y124 HydrophobicContact CB-CE2 3.74Å
123	Y	97.8	Very high	97.3	Very high	60 Å²	60	47 Å²	47	24%	0.235	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	141.6	177.4	-70.6	-94.6	0	0	0	110.9	I101 L114 V115 K116 P376	I101-Y123 HydrophobicContact CD1-CD1 3.95Å; I101-Y123 HydrophobicContact CD1-CE1 3.46Å; I101-Y123 VanDerWaalsContact CD1-CE1 3.46Å; L114-Y123 HydrophobicContact CD1-CD1 3.88Å; L114-Y123 HydrophobicContact CD1-CG 4.45Å; L114-Y123 HydrophobicContact CD2-CD1 4.07Å; L114-Y123 HydrophobicContact CD2-CE1 4.4Å; L114-Y123 HydrophobicContact CG-CD1 4.08Å; V115-Y123 CarbonylContact O-C 3.51Å; V115-Y123 WeakPolarHBondContact O-CA 3.47Å; K116-Y123 HydrophobicContact CB-CD1 4.3Å; K116-Y123 HydrophobicContact CB-CE1 4.27Å; K116-Y123 HydrophobicContact CD-CE1 4.19Å; K116-Y123 HydrophobicContact CD-CE2 4.23Å; K116-Y123 HydrophobicContact CG-CD1 4.5Å; K116-Y123 HydrophobicContact CG-CE1 4.35Å; K116-Y123 HydrophobicContact CG-CE2 4.48Å; Y123-P376 HydrophobicContact CD2-CB 4.03Å; Y123-P376 HydrophobicContact CD2-CG 4.2Å; Y123-P376 HydrophobicContact CE2-CB 4.43Å; Y123-P376 HydrophobicContact CE2-CG 4.11Å
124	Y	98.2	Very high	97.2	Very high	21 Å²	21	46.5 Å²	46.5	8%	0.082	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.7	-178.3	-66.4	-79.3	0	0	0	111.5	F98 L114 V115 D117 M122 D162 F163 V174 L175	F98-Y124 HydrophobicContact CE1-CD2 4.16Å; L114-Y124 WeakPolarHBondContact CA-O 3.17Å; V115-Y124 PolarHBondContact N-O 3.43Å; V115-Y124 PolarHBondContact O-N 3.34Å; D117-Y124 HydrophobicContact CB-CD2 4.33Å; D117-Y124 HydrophobicContact CB-CE2 3.95Å; M122-Y124 HydrophobicContact CB-CD2 4.49Å; M122-Y124 HydrophobicContact CB-CE2 3.74Å; Y124-D162 HydrophobicContact CE1-CB 4.04Å; Y124-D162 WeakPolarHBondContact CE1-OD2 3.4Å; Y124-D162 PolarHBondContact OH-OD2 3.19Å; Y124-F163 HydrophobicContact CE1-CE2 4.3Å; Y124-F163 HydrophobicContact CE2-CE2 4.13Å; Y124-F163 AromaticContact CZ-CE2 3.84Å; Y124-V174 VanDerWaalsContact CB-CG1 3.45Å; Y124-V174 HydrophobicContact CD1-CG1 3.88Å; Y124-V174 HydrophobicContact CD2-CG1 4.21Å; Y124-V174 HydrophobicContact CG-CG1 3.59Å; Y124-L175 WeakPolarHBondContact CA-O 3.28Å; Y124-L175 WeakPolarHBondContact CB-O 3.22Å; Y124-L175 WeakPolarHBondContact CD1-O 3.26Å
125	A	97.8	Very high	97.2	Very high	11 Å²	11	48.6 Å²	48.6	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	105.1	168	0	0	0	0	0	109.4	L104 V112 M113 L175 F177	L104-A125 HydrophobicContact CD1-CB 4.16Å; V112-A125 HydrophobicContact CG1-CB 3.9Å; M113-A125 CarbonylContact O-C 3.59Å; A125-L175 HydrophobicContact CB-CB 4.42Å; A125-L175 PolarHBondContact N-O 2.92Å; A125-L175 WeakPolarHBondContact O-CB 3.44Å; A125-L175 PolarHBondContact O-N 3.14Å; A125-F177 HydrophobicContact CB-CD2 4.46Å
126	M	98	Very high	97	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	108.6	178.2	-176	-177.7	-73.8	0	0	110.5	L95 F98 V112 M113 V115 I128 F165 Y172 M173 V174	L95-M126 HydrophobicContact CD1-CE 4.2Å; L95-M126 HydrophobicContact CD1-SD 3.78Å; F98-M126 HydrophobicContact CB-CE 3.94Å; F98-M126 HydrophobicContact CD1-CE 4.43Å; F98-M126 HydrophobicContact CD2-CE 3.48Å; F98-M126 VanDerWaalsContact CD2-CE 3.48Å; F98-M126 HydrophobicContact CE2-CE 4.08Å; F98-M126 HydrophobicContact CG-CE 3.69Å; V112-M126 CarbonylContact C-O 3.58Å; V112-M126 WeakPolarHBondContact CA-O 3.36Å; M113-M126 PolarHBondContact N-O 3.11Å; M113-M126 PolarHBondContact O-N 2.88Å; V115-M126 HydrophobicContact CG1-CB 3.65Å; V115-M126 HydrophobicContact CG1-CE 4.1Å; V115-M126 HydrophobicContact CG1-SD 4.15Å; V115-M126 HydrophobicContact CG2-CB 4Å; V115-M126 HydrophobicContact CG2-CE 4.16Å; M126-I128 HydrophobicContact CG-CD1 4.48Å; M126-I128 HydrophobicContact CG-CG1 3.88Å; M126-I128 HydrophobicContact SD-CD1 4.23Å; M126-I128 HydrophobicContact SD-CG1 4.12Å; M126-F165 HydrophobicContact CE-CE1 4.33Å; M126-F165 HydrophobicContact CE-CZ 3.85Å; M126-F165 HydrophobicContact SD-CZ 4.47Å; M126-Y172 HydrophobicContact CG-CD1 4.2Å; M126-Y172 HydrophobicContact SD-CD1 3.69Å; M126-Y172 HydrophobicContact SD-CE1 4.28Å; M126-M173 CarbonylContact C-O 3.47Å; M126-M173 WeakPolarHBondContact CA-O 3.43Å; M126-V174 HydrophobicContact CE-CG2 3.87Å; M126-V174 HydrophobicContact CG-CG2 4.28Å
127	K	97.1	Very high	96.8	Very high	22 Å²	22	58.9 Å²	58.9	10%	0.096	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	116.1	169.7	-172.5	166.6	179.8	179.9	0	108.9	V112 L129 E146 Y172 M173 D239	V112-K127 HydrophobicContact CG2-CB 4.23Å; V112-K127 HydrophobicContact CG2-CG 4.2Å; K127-L129 HydrophobicContact CD-CD2 4.4Å; K127-L129 HydrophobicContact CG-CD2 3.74Å; K127-L129 HydrophobicContact CG-CG 4.35Å; K127-E146 VanDerWaalsContact NZ-CD 3.33Å; K127-E146 IonicContact NZ-OE1 3.75Å; K127-E146 PolarHBondContact NZ-OE1 3.02Å; K127-E146 IonicContact NZ-OE2 3.96Å; K127-E146 PolarHBondContact NZ-OE2 3.09Å; K127-Y172 WeakPolarHBondContact O-CA 3.3Å; K127-M173 HydrophobicContact CB-CB 4.39Å; K127-M173 HydrophobicContact CD-CE 3.88Å; K127-M173 HydrophobicContact CG-CE 4.18Å; K127-M173 PolarHBondContact N-O 3.45Å; K127-M173 PolarHBondContact O-N 3.43Å; K127-D239 IonicContact NZ-OD1 3.99Å; K127-D239 PolarHBondContact NZ-OD1 2.99Å
128	I	97.5	Very high	96.6	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.6	-176.4	-51.1	175.8	0	0	0	108.3	G110 R111 M113 M126 N170 L171 Y172 L390	G110-I128 CarbonylContact C-O 3.56Å; G110-I128 WeakPolarHBondContact CA-O 3.4Å; R111-I128 HydrophobicContact CG-CB 4.25Å; R111-I128 HydrophobicContact CG-CD1 4.43Å; R111-I128 PolarHBondContact N-O 3.32Å; R111-I128 PolarHBondContact O-N 3.16Å; M113-I128 HydrophobicContact CG-CD1 3.98Å; M113-I128 HydrophobicContact SD-CD1 3.65Å; M126-I128 HydrophobicContact CG-CD1 4.48Å; M126-I128 HydrophobicContact CG-CG1 3.88Å; M126-I128 HydrophobicContact SD-CD1 4.23Å; M126-I128 HydrophobicContact SD-CG1 4.12Å; I128-N170 HydrophobicContact CG2-CB 4.01Å; I128-L171 WeakPolarHBondContact CA-O 3.37Å; I128-Y172 HydrophobicContact CB-CD1 4.41Å; I128-Y172 HydrophobicContact CB-CE1 4.41Å; I128-Y172 HydrophobicContact CD1-CE1 4.39Å; I128-Y172 HydrophobicContact CG1-CD1 3.96Å; I128-Y172 HydrophobicContact CG1-CE1 4.08Å; I128-Y172 HydrophobicContact CG2-CD1 4.11Å; I128-Y172 HydrophobicContact CG2-CE1 3.7Å; I128-L390 HydrophobicContact CD1-CD2 4.22Å; I128-L390 HydrophobicContact CG2-CD1 3.86Å
129	L	96.8	Very high	96.4	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.6	-176.8	-49.2	-177.8	0	0	0	110.9	F109 K127 K131 V134 T143 N170 L171 M173	F109-L129 HydrophobicContact CD2-CB 4.2Å; F109-L129 HydrophobicContact CD2-CD1 4.11Å; F109-L129 HydrophobicContact CD2-CD2 3.49Å; F109-L129 VanDerWaalsContact CD2-CD2 3.49Å; F109-L129 HydrophobicContact CD2-CG 4.12Å; F109-L129 HydrophobicContact CE2-CD1 3.81Å; F109-L129 HydrophobicContact CE2-CD2 3.44Å; F109-L129 VanDerWaalsContact CE2-CD2 3.44Å; F109-L129 HydrophobicContact CE2-CG 4.14Å; K127-L129 HydrophobicContact CD-CD2 4.4Å; K127-L129 HydrophobicContact CG-CD2 3.74Å; K127-L129 HydrophobicContact CG-CG 4.35Å; L129-K131 PolarHBondContact O-N 2.92Å; L129-V134 HydrophobicContact CB-CG2 4.05Å; L129-T143 HydrophobicContact CD1-CG2 3.62Å; L129-N170 CarbonylContact O-C 3.59Å; L129-N170 WeakPolarHBondContact O-CA 3.3Å; L129-L171 HydrophobicContact CB-CB 4.28Å; L129-L171 PolarHBondContact N-O 3.32Å; L129-L171 PolarHBondContact O-N 3.47Å; L129-M173 HydrophobicContact CD1-CE 3.75Å; L129-M173 HydrophobicContact CG-CE 4.47Å
130	E	96.9	Very high	96.4	Very high	60 Å²	60	57.7 Å²	57.7	28%	0.28	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.6	-179.5	-174.4	-175.2	147	0	0	110.3	F109 Q132 K133 V134	F109-E130 PolarHBondContact O-N 2.92Å; E130-Q132 VanDerWaalsContact C-N 3.29Å; E130-Q132 PolarHBondContact O-N 3.41Å; E130-K133 HydrophobicContact CB-CB 4.2Å; E130-K133 HydrophobicContact CB-CD 4.16Å; E130-K133 HydrophobicContact CB-CG 4.29Å; E130-K133 HydrophobicContact CG-CD 4.42Å; E130-K133 HydrophobicContact CG-CG 4.27Å; E130-K133 PolarHBondContact O-N 3.24Å; E130-K133 WeakPolarHBondContact OE2-CD 3.17Å; E130-K133 WeakPolarHBondContact OE2-CE 3.46Å; E130-K133 IonicContact OE2-NZ 3.54Å; E130-K133 PolarHBondContact OE2-NZ 3.33Å; E130-V134 WeakPolarHBondContact O-CG2 3.46Å; E130-V134 PolarHBondContact O-N 3.13Å
131	K	97.5	Very high	96.2	Very high	3 Å²	3	59.3 Å²	59.3	1%	0.013	28%	0.277	C	S	.	.	H	α-helix	trans	-52	-45.5	-172.4	-76	-168.3	-79.3	175	0	112.8	L129 K133 V134 V135 D167 N168 S169 L171 D396 Y397 C398 F402	L129-K131 PolarHBondContact O-N 2.92Å; K131-K133 PolarHBondContact O-N 3.42Å; K131-V134 PolarHBondContact O-N 3.34Å; K131-V135 WeakPolarHBondContact O-CG2 3.27Å; K131-V135 PolarHBondContact O-N 3.43Å; K131-D167 WeakPolarHBondContact CE-O 3.49Å; K131-D167 PolarHBondContact NZ-O 2.85Å; K131-N168 VanDerWaalsContact CE-C 3.46Å; K131-N168 WeakPolarHBondContact CE-O 3.43Å; K131-N168 PolarHBondContact NZ-O 3.32Å; K131-S169 WeakPolarHBondContact CB-O 3.28Å; K131-S169 PolarHBondContact N-O 3.01Å; K131-L171 HydrophobicContact CD-CD2 3.87Å; K131-L171 HydrophobicContact CD-CG 4.4Å; K131-L171 HydrophobicContact CG-CD1 4.42Å; K131-L171 HydrophobicContact CG-CD2 3.82Å; K131-L171 HydrophobicContact CG-CG 3.78Å; K131-D396 IonicContact NZ-OD1 2.74Å; K131-D396 PolarHBondContact NZ-OD1 3.43Å; K131-Y397 WeakPolarHBondContact CD-O 3.35Å; K131-Y397 WeakPolarHBondContact CE-O 3.37Å; K131-Y397 PolarHBondContact NZ-O 3.02Å; K131-C398 HydrophobicContact CB-CB 4.1Å; K131-F402 HydrophobicContact CB-CD2 4.06Å; K131-F402 HydrophobicContact CB-CE2 3.72Å; K131-F402 HydrophobicContact CD-CD2 3.63Å; K131-F402 HydrophobicContact CD-CE2 4.21Å; K131-F402 HydrophobicContact CD-CG 4.39Å; K131-F402 HydrophobicContact CG-CD2 3.69Å; K131-F402 HydrophobicContact CG-CE2 3.77Å
132	Q	96.7	Very high	96	Very high	89 Å²	89	56.1 Å²	56.1	42%	0.416	26%	0.262	S	S	.	.	H	α-helix	trans	-65.4	-38.5	-179	-63.4	-173.3	-69.5	0	0	112.4	E130 K136 Y397	E130-Q132 VanDerWaalsContact C-N 3.29Å; E130-Q132 PolarHBondContact O-N 3.41Å; Q132-K136 VanDerWaalsContact O-CB 3.31Å; Q132-K136 WeakPolarHBondContact O-CB 3.49Å; Q132-K136 PolarHBondContact O-N 2.9Å; Q132-Y397 HydrophobicContact CG-CD1 4.45Å; Q132-Y397 HydrophobicContact CG-CD2 4.25Å; Q132-Y397 HydrophobicContact CG-CG 3.96Å
133	K	96	Very high	95.9	Very high	91 Å²	91	51 Å²	51	40%	0.396	24%	0.238	S	C	.	.	H	α-helix	trans	-68.2	-42.6	175.7	-74.5	-179.3	-178	151	0	111.6	F109 E130 K131 V135 K136 L137	F109-K133 HydrophobicContact CB-CB 4.21Å; E130-K133 HydrophobicContact CB-CB 4.2Å; E130-K133 HydrophobicContact CB-CD 4.16Å; E130-K133 HydrophobicContact CB-CG 4.29Å; E130-K133 HydrophobicContact CG-CD 4.42Å; E130-K133 HydrophobicContact CG-CG 4.27Å; E130-K133 PolarHBondContact O-N 3.24Å; E130-K133 WeakPolarHBondContact OE2-CD 3.17Å; E130-K133 WeakPolarHBondContact OE2-CE 3.46Å; E130-K133 IonicContact OE2-NZ 3.54Å; E130-K133 PolarHBondContact OE2-NZ 3.33Å; K131-K133 PolarHBondContact O-N 3.42Å; K133-V135 VanDerWaalsContact C-N 3.32Å; K133-V135 PolarHBondContact O-N 3.46Å; K133-K136 PolarHBondContact O-N 2.94Å; K133-L137 WeakPolarHBondContact O-CB 3.16Å; K133-L137 WeakPolarHBondContact O-CG 3.35Å; K133-L137 PolarHBondContact O-N 2.87Å
134	V	96.4	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-45.9	176.5	175.9	0	0	0	0	110.8	F109 L129 E130 K131 K138 Q139 V140 T143 F402	F109-V134 HydrophobicContact CB-CG2 4.04Å; F109-V134 HydrophobicContact CD2-CG2 3.83Å; F109-V134 HydrophobicContact CG-CG2 4.2Å; L129-V134 HydrophobicContact CB-CG2 4.05Å; E130-V134 WeakPolarHBondContact O-CG2 3.46Å; E130-V134 PolarHBondContact O-N 3.13Å; K131-V134 PolarHBondContact O-N 3.34Å; V134-K138 PolarHBondContact O-N 2.92Å; V134-Q139 HydrophobicContact CG1-CB 4Å; V134-Q139 PolarHBondContact O-N 3.4Å; V134-V140 HydrophobicContact CG1-CG2 4.41Å; V134-T143 WeakPolarHBondContact CG1-OG1 3.43Å; V134-F402 HydrophobicContact CB-CZ 3.88Å; V134-F402 HydrophobicContact CG1-CE1 3.92Å; V134-F402 HydrophobicContact CG1-CZ 3.56Å
135	V	96.5	Very high	95.6	Very high	44 Å²	44	50.6 Å²	50.6	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-64.4	-47.6	176	174	0	0	0	0	111.4	K131 K133 L137 K138 V140 C398 E401 F402	K131-V135 WeakPolarHBondContact O-CG2 3.27Å; K131-V135 PolarHBondContact O-N 3.43Å; K133-V135 VanDerWaalsContact C-N 3.32Å; K133-V135 PolarHBondContact O-N 3.46Å; V135-L137 VanDerWaalsContact C-N 3.26Å; V135-L137 PolarHBondContact O-N 3.12Å; V135-K138 PolarHBondContact O-N 3.42Å; V135-V140 HydrophobicContact CB-CG2 4.42Å; V135-V140 HydrophobicContact CG2-CG2 3.77Å; V135-C398 HydrophobicContact CG2-CB 4.01Å; V135-E401 HydrophobicContact CG2-CB 4.23Å; V135-E401 HydrophobicContact CG2-CG 4.1Å; V135-F402 HydrophobicContact CG2-CE2 3.81Å; V135-F402 HydrophobicContact CG2-CZ 4.03Å
136	K	95.8	Very high	95.5	Very high	180 Å²	180	50.2 Å²	50.2	78%	0.783	24%	0.237	S	C	*	.	H	α-helix	trans	-57.6	-38.5	179.8	-176.5	-178.9	178	-176.2	0	112.5	Q132 K133 K138	Q132-K136 VanDerWaalsContact O-CB 3.31Å; Q132-K136 WeakPolarHBondContact O-CB 3.49Å; Q132-K136 PolarHBondContact O-N 2.9Å; K133-K136 PolarHBondContact O-N 2.94Å; K136-K138 VanDerWaalsContact C-N 3.31Å
137	L	93.4	Very high	95.4	Very high	80 Å²	80	50.6 Å²	50.6	42%	0.419	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7.2	178.9	-62.6	177.9	0	0	0	113.5	F109 K133 V135 Q139	F109-L137 HydrophobicContact CB-CD1 4.38Å; K133-L137 WeakPolarHBondContact O-CB 3.16Å; K133-L137 WeakPolarHBondContact O-CG 3.35Å; K133-L137 PolarHBondContact O-N 2.87Å; V135-L137 VanDerWaalsContact C-N 3.26Å; V135-L137 PolarHBondContact O-N 3.12Å; L137-Q139 VanDerWaalsContact C-N 3.28Å; L137-Q139 HydrophobicContact CB-CG 4.1Å; L137-Q139 PolarHBondContact O-N 2.65Å; L137-Q139 PolarHBondContact O-NE2 3.28Å; L137-Q139 VanDerWaalsContact O-NE2 3.1Å
138	K	93.7	Very high	95.3	Very high	186 Å²	186	52.8 Å²	52.8	81%	0.809	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	36.7	178.8	-55.1	-179.1	179.6	179.7	0	113.6	V134 V135 K136	V134-K138 PolarHBondContact O-N 2.92Å; V135-K138 PolarHBondContact O-N 3.42Å; K136-K138 VanDerWaalsContact C-N 3.31Å
139	Q	93.3	Very high	95.3	Very high	47 Å²	47	52.6 Å²	52.6	22%	0.22	25%	0.247	C	C	.	.			trans	-101.2	15	-178	-61.9	-55.5	-53	0	0	113.7	V134 L137 H142 T143	V134-Q139 HydrophobicContact CG1-CB 4Å; V134-Q139 PolarHBondContact O-N 3.4Å; L137-Q139 VanDerWaalsContact C-N 3.28Å; L137-Q139 HydrophobicContact CB-CG 4.1Å; L137-Q139 PolarHBondContact O-N 2.65Å; L137-Q139 PolarHBondContact O-NE2 3.28Å; L137-Q139 VanDerWaalsContact O-NE2 3.1Å; Q139-H142 PolarHBondContact O-N 3.17Å; Q139-H142 PolarHBondContact OE1-ND1 3.37Å; Q139-T143 WeakPolarHBondContact O-CB 3.21Å; Q139-T143 PolarHBondContact O-N 3.27Å; Q139-T143 PolarHBondContact O-OG1 3.11Å
140	V	95	Very high	95.3	Very high	33 Å²	33	52.7 Å²	52.7	20%	0.2	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-52.5	-177.6	179.6	0	0	0	0	111.6	V134 V135 H142 T143 L144 E401 F402	V134-V140 HydrophobicContact CG1-CG2 4.41Å; V135-V140 HydrophobicContact CB-CG2 4.42Å; V135-V140 HydrophobicContact CG2-CG2 3.77Å; V140-H142 VanDerWaalsContact C-N 3.35Å; V140-H142 PolarHBondContact O-N 3.34Å; V140-T143 PolarHBondContact O-N 3.16Å; V140-L144 HydrophobicContact CG1-CD1 4.05Å; V140-L144 WeakPolarHBondContact O-CG 3.49Å; V140-L144 PolarHBondContact O-N 3.06Å; V140-E401 HydrophobicContact CG1-CB 4.26Å; V140-E401 WeakPolarHBondContact CG1-O 3.46Å; V140-E401 HydrophobicContact CG2-CB 4.49Å; V140-F402 HydrophobicContact CB-CE1 4.35Å; V140-F402 HydrophobicContact CG1-CD1 4.38Å; V140-F402 HydrophobicContact CG1-CE1 3.93Å; V140-F402 HydrophobicContact CG1-CZ 4.44Å; V140-F402 HydrophobicContact CG2-CE1 4.24Å; V140-F402 HydrophobicContact CG2-CZ 3.99Å
141	E	92.9	Very high	95.2	Very high	107 Å²	107	51 Å²	51	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-43.7	-179.8	-172.8	-167	148.7	0	0	111.5	T143 L144 N145 K244	E141-T143 VanDerWaalsContact C-N 3.35Å; E141-T143 PolarHBondContact O-N 2.96Å; E141-L144 PolarHBondContact O-N 3.23Å; E141-N145 VanDerWaalsContact O-CB 3.3Å; E141-N145 WeakPolarHBondContact O-CB 3.1Å; E141-N145 PolarHBondContact O-N 3.43Å; E141-N145 PolarHBondContact O-ND2 3.36Å; E141-K244 IonicContact OE1-NZ 3.19Å; E141-K244 PolarHBondContact OE1-NZ 2.96Å
142	H	91.7	Very high	95.2	Very high	30 Å²	30	51 Å²	51	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-41.8	178.3	-70.5	174	0	0	0	112	Q139 V140 N145 E146 G241	Q139-H142 PolarHBondContact O-N 3.17Å; Q139-H142 PolarHBondContact OE1-ND1 3.37Å; V140-H142 VanDerWaalsContact C-N 3.35Å; V140-H142 PolarHBondContact O-N 3.34Å; H142-N145 PolarHBondContact O-N 3.27Å; H142-E146 WeakPolarHBondContact O-CB 3.44Å; H142-E146 PolarHBondContact O-N 3.37Å; H142-G241 WeakPolarHBondContact CB-O 3.4Å
143	T	95	Very high	95.2	Very high	2 Å²	2	47 Å²	47	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-43.2	179.1	-57	0	0	0	0	112.1	L129 V134 Q139 V140 E141 E146 K147 L171 F405	L129-T143 HydrophobicContact CD1-CG2 3.62Å; V134-T143 WeakPolarHBondContact CG1-OG1 3.43Å; Q139-T143 WeakPolarHBondContact O-CB 3.21Å; Q139-T143 PolarHBondContact O-N 3.27Å; Q139-T143 PolarHBondContact O-OG1 3.11Å; V140-T143 PolarHBondContact O-N 3.16Å; E141-T143 VanDerWaalsContact C-N 3.35Å; E141-T143 PolarHBondContact O-N 2.96Å; T143-E146 PolarHBondContact O-N 2.89Å; T143-K147 PolarHBondContact O-N 2.81Å; T143-K147 VanDerWaalsContact O-N 3.14Å; T143-L171 HydrophobicContact CG2-CD1 3.63Å; T143-F405 HydrophobicContact CG2-CD2 4.3Å; T143-F405 HydrophobicContact CG2-CE2 3.97Å
144	L	95.1	Very high	95.2	Very high	38 Å²	38	47 Å²	47	20%	0.199	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-41.6	175.9	-68.8	174.1	0	0	0	111.4	V140 E141 K148 F402 F405	V140-L144 HydrophobicContact CG1-CD1 4.05Å; V140-L144 WeakPolarHBondContact O-CG 3.49Å; V140-L144 PolarHBondContact O-N 3.06Å; E141-L144 PolarHBondContact O-N 3.23Å; L144-K148 WeakPolarHBondContact O-CB 3.24Å; L144-K148 PolarHBondContact O-N 3.38Å; L144-F402 HydrophobicContact CD2-CD1 4.38Å; L144-F405 HydrophobicContact CD2-CB 3.86Å; L144-F405 HydrophobicContact CD2-CD2 4.23Å
145	N	93.9	Very high	95.3	Very high	33 Å²	33	47.2 Å²	47.2	18%	0.176	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-45.7	176	-76.3	-25.7	0	0	0	111.8	E141 H142 K147 K148 I149	E141-N145 VanDerWaalsContact O-CB 3.3Å; E141-N145 WeakPolarHBondContact O-CB 3.1Å; E141-N145 PolarHBondContact O-N 3.43Å; E141-N145 PolarHBondContact O-ND2 3.36Å; H142-N145 PolarHBondContact O-N 3.27Å; N145-K147 PolarHBondContact O-N 3.42Å; N145-K148 PolarHBondContact O-N 3.28Å; N145-I149 WeakPolarHBondContact O-CB 3.46Å; N145-I149 VanDerWaalsContact O-CG1 3.23Å; N145-I149 WeakPolarHBondContact O-CG1 3.2Å; N145-I149 PolarHBondContact O-N 3.14Å
146	E	95.9	Very high	95.4	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-54.9	-54.6	177.9	176.9	173.3	-157.7	0	0	110.6	K127 H142 T143 K148 I149 L150 M173 F240	K127-E146 VanDerWaalsContact NZ-CD 3.33Å; K127-E146 IonicContact NZ-OE1 3.75Å; K127-E146 PolarHBondContact NZ-OE1 3.02Å; K127-E146 IonicContact NZ-OE2 3.96Å; K127-E146 PolarHBondContact NZ-OE2 3.09Å; H142-E146 WeakPolarHBondContact O-CB 3.44Å; H142-E146 PolarHBondContact O-N 3.37Å; T143-E146 PolarHBondContact O-N 2.89Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 3.46Å; E146-I149 PolarHBondContact O-N 2.89Å; E146-L150 HydrophobicContact CG-CD1 3.75Å; E146-L150 WeakPolarHBondContact O-CB 3.45Å; E146-L150 WeakPolarHBondContact O-CG 3.25Å; E146-L150 PolarHBondContact O-N 3.34Å; E146-M173 HydrophobicContact CG-CE 4.29Å; E146-M173 HydrophobicContact CG-SD 4.16Å; E146-F240 HydrophobicContact CG-CB 4.01Å; E146-F240 PolarHBondContact OE1-N 2.97Å
147	K	96	Very high	95.5	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-43.9	177.2	-176.1	-92.4	174.2	162.8	0	111.6	T143 N145 I149 L150 Q151 M161 S164 M173 F405	T143-K147 PolarHBondContact O-N 2.81Å; T143-K147 VanDerWaalsContact O-N 3.14Å; N145-K147 PolarHBondContact O-N 3.42Å; K147-I149 VanDerWaalsContact C-N 3.33Å; K147-I149 PolarHBondContact O-N 2.84Å; K147-L150 PolarHBondContact O-N 3.32Å; K147-Q151 VanDerWaalsContact CE-OE1 3.23Å; K147-Q151 WeakPolarHBondContact O-CG 3.42Å; K147-Q151 PolarHBondContact O-N 3.39Å; K147-Q151 VanDerWaalsContact O-N 3.14Å; K147-M161 HydrophobicContact CG-CE 4.2Å; K147-S164 WeakPolarHBondContact CE-OG 3.41Å; K147-M173 HydrophobicContact CB-SD 3.99Å; K147-F405 HydrophobicContact CB-CD2 4.31Å; K147-F405 HydrophobicContact CB-CE2 3.84Å; K147-F405 HydrophobicContact CB-CZ 4.28Å; K147-F405 WeakPolarHBondContact CD-OXT 3.22Å; K147-F405 WeakPolarHBondContact CE-OXT 3.44Å; K147-F405 HydrophobicContact CG-CD2 4.39Å; K147-F405 HydrophobicContact CG-CE1 4.41Å; K147-F405 HydrophobicContact CG-CE2 3.99Å; K147-F405 HydrophobicContact CG-CZ 3.99Å; K147-F405 PolarHBondContact NZ-OXT 3.49Å
148	K	95.9	Very high	95.7	Very high	69 Å²	69	34.5 Å²	34.5	30%	0.3	17%	0.167	S	C	.	.	H	α-helix	trans	-67.1	-33.6	-177.4	-169.1	175.1	-176.1	166.2	0	113	W85 L144 N145 E146 Q151	W85-K148 HydrophobicContact CD2-CG 4.43Å; W85-K148 HydrophobicContact CE3-CD 4.42Å; W85-K148 HydrophobicContact CE3-CG 3.95Å; W85-K148 HydrophobicContact CH2-CB 4.48Å; W85-K148 HydrophobicContact CH2-CD 3.86Å; W85-K148 HydrophobicContact CH2-CG 3.95Å; W85-K148 HydrophobicContact CZ2-CD 3.95Å; W85-K148 HydrophobicContact CZ2-CG 4.43Å; W85-K148 HydrophobicContact CZ3-CB 4.24Å; W85-K148 HydrophobicContact CZ3-CD 4.11Å; W85-K148 HydrophobicContact CZ3-CG 3.69Å; W85-K148 WeakPolarHBondContact O-CE 3.31Å; L144-K148 WeakPolarHBondContact O-CB 3.24Å; L144-K148 PolarHBondContact O-N 3.38Å; N145-K148 PolarHBondContact O-N 3.28Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 3.46Å; K148-Q151 VanDerWaalsContact O-CG 3.22Å; K148-Q151 WeakPolarHBondContact O-CG 3.46Å; K148-Q151 PolarHBondContact O-NE2 2.81Å
149	I	96.9	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-72.7	-52.5	175	-69.8	167.6	0	0	0	109.7	W85 N145 E146 K147 Q151 A152 I153 L217 F240 A243	W85-I149 HydrophobicContact CH2-CG1 4.16Å; W85-I149 HydrophobicContact CZ3-CG1 3.72Å; N145-I149 WeakPolarHBondContact O-CB 3.46Å; N145-I149 VanDerWaalsContact O-CG1 3.23Å; N145-I149 WeakPolarHBondContact O-CG1 3.2Å; N145-I149 PolarHBondContact O-N 3.14Å; E146-I149 PolarHBondContact O-N 2.89Å; K147-I149 VanDerWaalsContact C-N 3.33Å; K147-I149 PolarHBondContact O-N 2.84Å; I149-Q151 VanDerWaalsContact C-N 3.28Å; I149-Q151 PolarHBondContact O-N 3.09Å; I149-A152 PolarHBondContact O-N 3.09Å; I149-I153 HydrophobicContact CG2-CD1 4.18Å; I149-I153 HydrophobicContact CG2-CG2 4.15Å; I149-I153 WeakPolarHBondContact O-CG1 3.12Å; I149-I153 PolarHBondContact O-N 3.34Å; I149-I153 VanDerWaalsContact O-N 3.08Å; I149-L217 HydrophobicContact CD1-CD2 3.93Å; I149-L217 HydrophobicContact CG1-CD2 3.81Å; I149-L217 HydrophobicContact CG2-CD1 4Å; I149-L217 HydrophobicContact CG2-CD2 4.48Å; I149-F240 HydrophobicContact CG2-CD1 3.82Å; I149-F240 HydrophobicContact CG2-CE1 4.3Å; I149-A243 VanDerWaalsContact CD1-C 3.47Å; I149-A243 HydrophobicContact CD1-CB 3.57Å; I149-A243 WeakPolarHBondContact CD1-O 3.35Å
150	L	97	Very high	96.1	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-57.9	-36.8	-176.2	-78.1	169.8	0	0	0	113.5	E146 K147 A152 I153 M161 M173 L175 F240	E146-L150 HydrophobicContact CG-CD1 3.75Å; E146-L150 WeakPolarHBondContact O-CB 3.45Å; E146-L150 WeakPolarHBondContact O-CG 3.25Å; E146-L150 PolarHBondContact O-N 3.34Å; K147-L150 PolarHBondContact O-N 3.32Å; L150-A152 VanDerWaalsContact C-N 3.26Å; L150-A152 PolarHBondContact O-N 3.19Å; L150-I153 HydrophobicContact CD2-CD1 4.35Å; L150-M161 HydrophobicContact CB-CB 3.91Å; L150-M161 HydrophobicContact CB-CE 3.98Å; L150-M161 HydrophobicContact CB-SD 4.03Å; L150-M161 HydrophobicContact CD1-SD 4.42Å; L150-M173 HydrophobicContact CD1-SD 4.11Å; L150-L175 HydrophobicContact CD1-CD2 4.02Å; L150-F240 HydrophobicContact CD2-CB 4.43Å; L150-F240 HydrophobicContact CD2-CD2 3.63Å; L150-F240 HydrophobicContact CD2-CE2 4.02Å; L150-F240 HydrophobicContact CD2-CG 4.08Å; L150-F240 HydrophobicContact CG-CB 4.27Å; L150-F240 HydrophobicContact CG-CD2 4.37Å; L150-F240 HydrophobicContact CG-CG 4.39Å
151	Q	95.3	Very high	96.1	Very high	25 Å²	25	24.5 Å²	24.5	12%	0.117	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.6	176.4	67.8	-175.8	1.1	0	0	113.4	P88 K147 K148 I149 M161	P88-Q151 VanDerWaalsContact CB-NE2 3.26Å; K147-Q151 VanDerWaalsContact CE-OE1 3.23Å; K147-Q151 WeakPolarHBondContact O-CG 3.42Å; K147-Q151 PolarHBondContact O-N 3.39Å; K147-Q151 VanDerWaalsContact O-N 3.14Å; K148-Q151 VanDerWaalsContact O-CG 3.22Å; K148-Q151 WeakPolarHBondContact O-CG 3.46Å; K148-Q151 PolarHBondContact O-NE2 2.81Å; I149-Q151 VanDerWaalsContact C-N 3.28Å; I149-Q151 PolarHBondContact O-N 3.09Å; Q151-M161 HydrophobicContact CB-CE 3.59Å
152	A	96.3	Very high	96.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-24.9	-172.2	0	0	0	0	0	113	F81 K84 W85 I149 L150	F81-A152 HydrophobicContact CD2-CB 3.78Å; F81-A152 WeakPolarHBondContact CD2-O 3.44Å; F81-A152 HydrophobicContact CE2-CB 3.59Å; F81-A152 HydrophobicContact CZ-CB 4.44Å; K84-A152 HydrophobicContact CB-CB 4.08Å; W85-A152 HydrophobicContact CB-CB 4.37Å; W85-A152 HydrophobicContact CE3-CB 4.13Å; I149-A152 PolarHBondContact O-N 3.09Å; L150-A152 VanDerWaalsContact C-N 3.26Å; L150-A152 PolarHBondContact O-N 3.19Å
153	I	97.4	Very high	96.4	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.036	12%	0.124	C	C	.	.			trans	-89	152.6	178.6	63.8	176.3	0	0	0	112	F81 I149 L150 L158 Y211 L212 L217 F240	F81-I153 HydrophobicContact CD2-CG2 4.25Å; F81-I153 HydrophobicContact CE2-CG2 4.04Å; I149-I153 HydrophobicContact CG2-CD1 4.18Å; I149-I153 HydrophobicContact CG2-CG2 4.15Å; I149-I153 WeakPolarHBondContact O-CG1 3.12Å; I149-I153 PolarHBondContact O-N 3.34Å; I149-I153 VanDerWaalsContact O-N 3.08Å; L150-I153 HydrophobicContact CD2-CD1 4.35Å; I153-L158 HydrophobicContact CD1-CB 4.45Å; I153-L158 HydrophobicContact CD1-CD1 3.94Å; I153-Y211 HydrophobicContact CB-CE1 3.98Å; I153-Y211 HydrophobicContact CG2-CE1 4.13Å; I153-L212 HydrophobicContact CG2-CD2 4.11Å; I153-L217 HydrophobicContact CG2-CD1 3.76Å; I153-F240 HydrophobicContact CD1-CD1 4.24Å; I153-F240 HydrophobicContact CD1-CE1 3.56Å; I153-F240 HydrophobicContact CD1-CE2 4.22Å; I153-F240 HydrophobicContact CD1-CZ 3.53Å
154	N	96.1	Very high	96.5	Very high	90 Å²	90	24.1 Å²	24.1	48%	0.481	13%	0.126	S	C	.	.			trans	-157.1	104	171.5	-179.1	34	0	0	0	109	Y211	N154-Y211 PolarHBondContact N-OH 2.97Å; N154-Y211 PolarHBondContact O-OH 3.46Å; N154-Y211 VanDerWaalsContact O-OH 3.04Å
155	F	98.2	Very high	96.5	Very high	5 Å²	5	23.2 Å²	23.2	2%	0.022	12%	0.121	C	C	.	.			trans	-147.9	143.9	-176.4	-166.3	-108.8	0	0	0	110.9	F70 Y73 F157 L158 L207 A208 Y211 Y361	F70-F155 HydrophobicContact CE2-CE2 4.11Å; F70-F155 HydrophobicContact CE2-CZ 4.04Å; F70-F155 AromaticContact CZ-CE2 3.8Å; F70-F155 HydrophobicContact CZ-CE2 3.8Å; F70-F155 AromaticContact CZ-CZ 3.68Å; F70-F155 HydrophobicContact CZ-CZ 3.68Å; Y73-F155 HydrophobicContact CE1-CD2 4.01Å; Y73-F155 AromaticContact CE1-CE2 3.65Å; Y73-F155 HydrophobicContact CE1-CE2 3.65Å; Y73-F155 WeakPolarHBondContact OH-CD2 3.48Å; F155-F157 HydrophobicContact CD1-CB 4.43Å; F155-F157 HydrophobicContact CD1-CD2 4.33Å; F155-F157 AromaticContact CE1-CD2 3.67Å; F155-F157 HydrophobicContact CE1-CD2 3.67Å; F155-F157 HydrophobicContact CE1-CE2 4.23Å; F155-F157 HydrophobicContact CE1-CG 4.44Å; F155-F157 HydrophobicContact CZ-CD2 4.47Å; F155-F157 PolarHBondContact O-N 2.94Å; F155-L158 HydrophobicContact CB-CB 4.29Å; F155-L158 HydrophobicContact CB-CD1 3.78Å; F155-L158 HydrophobicContact CB-CG 3.88Å; F155-L158 HydrophobicContact CD1-CG 4.18Å; F155-L158 HydrophobicContact CG-CG 4.5Å; F155-L158 PolarHBondContact O-N 3.32Å; F155-L207 HydrophobicContact CE1-CB 4.06Å; F155-L207 HydrophobicContact CZ-CB 3.93Å; F155-A208 HydrophobicContact CD1-CB 4.46Å; F155-A208 HydrophobicContact CE1-CB 4.41Å; F155-Y211 HydrophobicContact CB-CD1 3.79Å; F155-Y211 HydrophobicContact CB-CD2 4.23Å; F155-Y211 HydrophobicContact CB-CE1 3.75Å; F155-Y211 HydrophobicContact CB-CE2 4.17Å; F155-Y211 HydrophobicContact CB-CG 4.02Å; F155-Y211 HydrophobicContact CD1-CG 4.39Å; F155-Y211 HydrophobicContact CD2-CD1 4.19Å; F155-Y211 AromaticContact CD2-CD2 3.3Å; F155-Y211 HydrophobicContact CD2-CD2 3.3Å; F155-Y211 AromaticContact CD2-CE2 3.75Å; F155-Y211 HydrophobicContact CD2-CE2 3.75Å; F155-Y211 AromaticContact CD2-CG 3.53Å; F155-Y211 HydrophobicContact CD2-CG 3.53Å; F155-Y211 AromaticContact CE2-CD2 3.86Å; F155-Y211 HydrophobicContact CE2-CD2 3.86Å; F155-Y211 HydrophobicContact CE2-CG 4.09Å; F155-Y211 AromaticContact CG-CD1 3.96Å; F155-Y211 HydrophobicContact CG-CD1 3.96Å; F155-Y211 AromaticContact CG-CD2 3.93Å; F155-Y211 HydrophobicContact CG-CD2 3.93Å; F155-Y211 HydrophobicContact CG-CE1 4.36Å; F155-Y211 HydrophobicContact CG-CE2 4.31Å; F155-Y211 AromaticContact CG-CG 3.72Å; F155-Y211 HydrophobicContact CG-CG 3.72Å; F155-Y361 HydrophobicContact CD2-CE2 4.12Å; F155-Y361 AromaticContact CE2-CD2 3.72Å; F155-Y361 HydrophobicContact CE2-CD2 3.72Å; F155-Y361 AromaticContact CE2-CE2 3.47Å; F155-Y361 HydrophobicContact CE2-CE2 3.47Å; F155-Y361 VanDerWaalsContact CE2-CE2 3.47Å; F155-Y361 AromaticContact CZ-CD2 3.78Å; F155-Y361 HydrophobicContact CZ-CD2 3.78Å; F155-Y361 HydrophobicContact CZ-CE2 4.02Å
156	P	97.8	Very high	96.6	Very high	32 Å²	32	25.7 Å²	25.7	21%	0.208	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.9	-170.9	-29.9	36.8	0	0	0	115.2	K236 Y361	P156-K236 WeakPolarHBondContact O-CE 3.47Å; P156-K236 PolarHBondContact O-NZ 3.37Å; P156-Y361 HydrophobicContact CG-CD2 3.95Å; P156-Y361 HydrophobicContact CG-CE2 3.53Å
157	F	98.7	Very high	96.6	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	10.7	-177.2	-44.8	-47.4	0	0	0	114.3	F155 Q204 L207 Y234 L235 K236 V237 V360 K363	F155-F157 HydrophobicContact CD1-CB 4.43Å; F155-F157 HydrophobicContact CD1-CD2 4.33Å; F155-F157 AromaticContact CE1-CD2 3.67Å; F155-F157 HydrophobicContact CE1-CD2 3.67Å; F155-F157 HydrophobicContact CE1-CE2 4.23Å; F155-F157 HydrophobicContact CE1-CG 4.44Å; F155-F157 HydrophobicContact CZ-CD2 4.47Å; F155-F157 PolarHBondContact O-N 2.94Å; F157-Q204 HydrophobicContact CB-CB 4.47Å; F157-Q204 HydrophobicContact CD1-CB 4.26Å; F157-Q204 HydrophobicContact CD1-CG 4.14Å; F157-Q204 HydrophobicContact CD2-CB 3.78Å; F157-Q204 HydrophobicContact CD2-CG 4.16Å; F157-Q204 WeakPolarHBondContact CD2-O 3.25Å; F157-Q204 HydrophobicContact CE1-CG 4.04Å; F157-Q204 HydrophobicContact CE2-CB 4.13Å; F157-Q204 HydrophobicContact CE2-CG 4.05Å; F157-Q204 HydrophobicContact CG-CB 3.89Å; F157-Q204 HydrophobicContact CG-CG 4.23Å; F157-Q204 HydrophobicContact CZ-CG 4Å; F157-L207 HydrophobicContact CD2-CB 4.35Å; F157-L207 HydrophobicContact CE2-CB 4.24Å; F157-L207 HydrophobicContact CE2-CD1 3.91Å; F157-Y234 HydrophobicContact CD1-CD1 4.3Å; F157-Y234 AromaticContact CE1-CD1 3.57Å; F157-Y234 HydrophobicContact CE1-CD1 3.57Å; F157-Y234 HydrophobicContact CE1-CE1 4.17Å; F157-Y234 HydrophobicContact CE1-CG 4.48Å; F157-Y234 HydrophobicContact CZ-CD1 4.32Å; F157-L235 WeakPolarHBondContact CA-O 3.43Å; F157-K236 CarbonylContact O-C 3.58Å; F157-K236 WeakPolarHBondContact O-CA 3.31Å; F157-V237 WeakPolarHBondContact O-CG2 3.43Å; F157-V237 PolarHBondContact O-N 3.41Å; F157-V360 HydrophobicContact CE2-CG1 4.08Å; F157-V360 HydrophobicContact CZ-CG1 3.98Å; F157-V360 VanDerWaalsContact CZ-O 3.3Å; F157-V360 WeakPolarHBondContact CZ-O 2.8Å; F157-K363 HydrophobicContact CE1-CG 4.14Å
158	L	98.6	Very high	96.7	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-110.7	143.8	173.7	-56.5	-178.1	0	0	0	109	I153 F155 S160 A208 Y211 L212 K236 V237 F240	I153-L158 HydrophobicContact CD1-CB 4.45Å; I153-L158 HydrophobicContact CD1-CD1 3.94Å; F155-L158 HydrophobicContact CB-CB 4.29Å; F155-L158 HydrophobicContact CB-CD1 3.78Å; F155-L158 HydrophobicContact CB-CG 3.88Å; F155-L158 HydrophobicContact CD1-CG 4.18Å; F155-L158 HydrophobicContact CG-CG 4.5Å; F155-L158 PolarHBondContact O-N 3.32Å; L158-S160 PolarHBondContact O-N 3.45Å; L158-A208 HydrophobicContact CD2-CB 3.77Å; L158-Y211 HydrophobicContact CD1-CD1 3.78Å; L158-Y211 HydrophobicContact CD1-CE1 3.99Å; L158-L212 HydrophobicContact CD1-CD1 4.43Å; L158-L212 HydrophobicContact CD1-CD2 3.8Å; L158-L212 HydrophobicContact CD1-CG 4.04Å; L158-L212 HydrophobicContact CD2-CD1 4.4Å; L158-K236 PolarHBondContact O-NZ 2.84Å; L158-V237 HydrophobicContact CD2-CB 3.68Å; L158-V237 HydrophobicContact CD2-CG1 4.34Å; L158-V237 HydrophobicContact CD2-CG2 3.87Å; L158-F240 HydrophobicContact CB-CZ 4.3Å; L158-F240 HydrophobicContact CD1-CZ 4.28Å; L158-F240 HydrophobicContact CD2-CZ 4.01Å; L158-F240 HydrophobicContact CG-CZ 4.41Å
159	V	97.8	Very high	96.7	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	14%	0.14	C	C	.	.			trans	-63.6	124.9	171.5	169.3	0	0	0	0	109.8	L175 E176 V178 K236 V237	V159-L175 HydrophobicContact CG1-CB 3.76Å; V159-L175 HydrophobicContact CG1-CD1 4.19Å; V159-L175 HydrophobicContact CG1-CD2 4.46Å; V159-L175 HydrophobicContact CG1-CG 4.35Å; V159-E176 WeakPolarHBondContact CA-OE1 3.36Å; V159-E176 HydrophobicContact CB-CG 4.43Å; V159-E176 HydrophobicContact CG1-CG 3.91Å; V159-V178 HydrophobicContact CG2-CG2 4.31Å; V159-K236 HydrophobicContact CG2-CB 3.84Å; V159-V237 WeakPolarHBondContact CB-O 3.31Å; V159-V237 WeakPolarHBondContact CG2-O 3.19Å; V159-V237 PolarHBondContact N-O 2.91Å
160	S	96	Very high	96.8	Very high	31 Å²	31	27 Å²	27	22%	0.217	14%	0.142	C	C	.	.			trans	-82.8	151.4	173.4	69.2	0	0	0	0	112.3	L158 L175 E176	L158-S160 PolarHBondContact O-N 3.45Å; S160-L175 VanDerWaalsContact O-CA 3.32Å; S160-L175 WeakPolarHBondContact O-CA 3.21Å; S160-E176 PolarHBondContact N-OE1 3.35Å; S160-E176 PolarHBondContact O-N 2.69Å
161	M	96.6	Very high	96.8	Very high	23 Å²	23	26.9 Å²	26.9	11%	0.113	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.8	170.9	-178.2	179.4	71.7	0	0	109.9	K147 L150 Q151 F163 M173 L175	K147-M161 HydrophobicContact CG-CE 4.2Å; L150-M161 HydrophobicContact CB-CB 3.91Å; L150-M161 HydrophobicContact CB-CE 3.98Å; L150-M161 HydrophobicContact CB-SD 4.03Å; L150-M161 HydrophobicContact CD1-SD 4.42Å; Q151-M161 HydrophobicContact CB-CE 3.59Å; M161-F163 WeakPolarHBondContact CG-O 3.37Å; M161-M173 HydrophobicContact SD-CB 3.86Å; M161-M173 HydrophobicContact SD-CG 3.83Å; M161-M173 HydrophobicContact SD-SD 4.33Å; M161-L175 HydrophobicContact CB-CD2 3.68Å; M161-L175 HydrophobicContact CG-CD2 3.83Å; M161-L175 HydrophobicContact SD-CD2 4.41Å
162	D	94.4	Very high	96.9	Very high	77 Å²	77	25.7 Å²	25.7	41%	0.412	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-36.7	-177.5	-76.6	19.1	0	0	0	111.5	Y124 V174	Y124-D162 HydrophobicContact CE1-CB 4.04Å; Y124-D162 WeakPolarHBondContact CE1-OD2 3.4Å; Y124-D162 PolarHBondContact OH-OD2 3.19Å; D162-V174 PolarHBondContact N-O 2.88Å
163	F	95.7	Very high	96.9	Very high	44 Å²	44	25.6 Å²	25.6	19%	0.193	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.8	-177.5	-42.3	-84.7	0	0	0	111.5	A93 F98 Y124 M161 V174	A93-F163 HydrophobicContact CB-CB 3.84Å; A93-F163 HydrophobicContact CB-CD1 3.89Å; A93-F163 HydrophobicContact CB-CG 4.05Å; F98-F163 HydrophobicContact CE1-CD2 4.32Å; F98-F163 HydrophobicContact CE1-CE2 4.37Å; F98-F163 AromaticContact CZ-CD2 3.83Å; F98-F163 HydrophobicContact CZ-CD2 3.83Å; F98-F163 HydrophobicContact CZ-CE2 4.17Å; F98-F163 HydrophobicContact CZ-CG 4.28Å; Y124-F163 HydrophobicContact CE1-CE2 4.3Å; Y124-F163 HydrophobicContact CE2-CE2 4.13Å; Y124-F163 AromaticContact CZ-CE2 3.84Å; M161-F163 WeakPolarHBondContact CG-O 3.37Å; F163-V174 HydrophobicContact CB-CB 3.89Å; F163-V174 HydrophobicContact CB-CG2 3.99Å; F163-V174 HydrophobicContact CD2-CB 3.91Å; F163-V174 HydrophobicContact CD2-CG1 3.82Å; F163-V174 HydrophobicContact CD2-CG2 4.48Å; F163-V174 HydrophobicContact CG-CB 4.41Å; F163-V174 PolarHBondContact N-O 3.34Å; F163-V174 PolarHBondContact O-N 3.1Å
164	S	96.3	Very high	96.9	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.063	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.7	167.5	53.5	0	0	0	0	109.8	S91 K147 Y172	S91-S164 WeakPolarHBondContact CB-O 3.39Å; K147-S164 WeakPolarHBondContact CE-OG 3.41Å; S164-Y172 CarbonylContact C-O 3.49Å; S164-Y172 WeakPolarHBondContact CA-O 3.17Å
165	F	96.6	Very high	97	Very high	20 Å²	20	21.5 Å²	21.5	9%	0.088	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	172.7	-178.8	56.7	-89.3	0	0	0	110.5	A93 L95 F98 M126 Y172 V174 F405	A93-F165 HydrophobicContact CB-CD1 3.81Å; A93-F165 HydrophobicContact CB-CE1 4.18Å; A93-F165 WeakPolarHBondContact O-CB 3.11Å; A93-F165 WeakPolarHBondContact O-CG 3.12Å; L95-F165 HydrophobicContact CB-CE2 4Å; L95-F165 HydrophobicContact CB-CZ 4.44Å; L95-F165 VanDerWaalsContact N-CE2 3.29Å; F98-F165 HydrophobicContact CD2-CE1 4.45Å; F98-F165 HydrophobicContact CD2-CZ 4.41Å; F98-F165 AromaticContact CE2-CE1 3.88Å; F98-F165 HydrophobicContact CE2-CE1 3.88Å; F98-F165 HydrophobicContact CE2-CZ 4.28Å; M126-F165 HydrophobicContact CE-CE1 4.33Å; M126-F165 HydrophobicContact CE-CZ 3.85Å; M126-F165 HydrophobicContact SD-CZ 4.47Å; F165-Y172 AromaticContact CD2-CD2 3.35Å; F165-Y172 HydrophobicContact CD2-CD2 3.35Å; F165-Y172 HydrophobicContact CD2-CE2 4.1Å; F165-Y172 AromaticContact CD2-CG 3.71Å; F165-Y172 HydrophobicContact CD2-CG 3.71Å; F165-Y172 HydrophobicContact CE1-CG 4.47Å; F165-Y172 VanDerWaalsContact CE2-CB 3.49Å; F165-Y172 AromaticContact CE2-CD1 3.87Å; F165-Y172 HydrophobicContact CE2-CD1 3.87Å; F165-Y172 AromaticContact CE2-CD2 3.22Å; F165-Y172 HydrophobicContact CE2-CD2 3.22Å; F165-Y172 HydrophobicContact CE2-CE1 4.4Å; F165-Y172 AromaticContact CE2-CE2 3.82Å; F165-Y172 HydrophobicContact CE2-CE2 3.82Å; F165-Y172 AromaticContact CE2-CG 3.23Å; F165-Y172 HydrophobicContact CE2-CG 3.23Å; F165-Y172 HydrophobicContact CG-CD2 4.33Å; F165-Y172 HydrophobicContact CG-CG 4.49Å; F165-Y172 HydrophobicContact CZ-CD1 4.1Å; F165-Y172 HydrophobicContact CZ-CD2 4.14Å; F165-Y172 AromaticContact CZ-CG 3.68Å; F165-Y172 HydrophobicContact CZ-CG 3.68Å; F165-Y172 PolarHBondContact N-O 3.47Å; F165-Y172 WeakPolarHBondContact O-CB 3.24Å; F165-Y172 PolarHBondContact O-N 3.17Å; F165-V174 HydrophobicContact CE1-CG2 3.73Å; F165-F405 WeakPolarHBondContact O-CE1 3.43Å
166	K	96	Very high	96.9	Very high	84 Å²	84	23.4 Å²	23.4	37%	0.365	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.1	178.3	63.2	-163.5	174.2	-149.2	0	110.6	N170 L171 F402 E403 F405	K166-N170 WeakPolarHBondContact CA-O 3.28Å; K166-L171 HydrophobicContact CB-CD2 3.71Å; K166-L171 HydrophobicContact CD-CD2 4.4Å; K166-F402 PolarHBondContact NZ-O 3.39Å; K166-E403 PolarHBondContact NZ-O 2.92Å; K166-F405 HydrophobicContact CB-CD1 4.36Å; K166-F405 HydrophobicContact CD-CB 4.2Å; K166-F405 HydrophobicContact CD-CD1 4.39Å; K166-F405 PolarHBondContact NZ-O 2.99Å
167	D	96	Very high	96.9	Very high	32 Å²	32	23.2 Å²	23.2	17%	0.171	12%	0.118	C	C	.	.			trans	-126.9	-165.2	168.8	68	28.2	0	0	0	110.2	K131 S169 N170 Y172 I392	K131-D167 WeakPolarHBondContact CE-O 3.49Å; K131-D167 PolarHBondContact NZ-O 2.85Å; D167-S169 PolarHBondContact O-N 2.86Å; D167-S169 VanDerWaalsContact O-N 3.15Å; D167-S169 PolarHBondContact OD1-N 3.08Å; D167-N170 PolarHBondContact N-O 3.45Å; D167-N170 PolarHBondContact OD1-N 3.33Å; D167-Y172 HydrophobicContact CB-CE2 4.21Å; D167-Y172 VanDerWaalsContact OD2-CE2 3.22Å; D167-Y172 WeakPolarHBondContact OD2-CE2 3.49Å; D167-Y172 VanDerWaalsContact OD2-CZ 3.26Å; D167-Y172 PolarHBondContact OD2-OH 2.88Å; D167-I392 HydrophobicContact CB-CG2 4.28Å; D167-I392 WeakPolarHBondContact OD2-CD1 3.37Å; D167-I392 WeakPolarHBondContact OD2-CG1 3.44Å
168	N	97.1	Very high	96.8	Very high	55 Å²	55	23.4 Å²	23.4	29%	0.294	12%	0.12	S	C	.	.	S	Bend	trans	-61	-20.8	-179.5	-73.8	-7.3	0	0	0	114.7	K131 I392 S393 K394 Y397	K131-N168 VanDerWaalsContact CE-C 3.46Å; K131-N168 WeakPolarHBondContact CE-O 3.43Å; K131-N168 PolarHBondContact NZ-O 3.32Å; N168-I392 HydrophobicContact CB-CG2 4.17Å; N168-S393 WeakPolarHBondContact CB-O 3.48Å; N168-S393 PolarHBondContact ND2-O 3.3Å; N168-K394 PolarHBondContact ND2-O 3.19Å; N168-Y397 PolarHBondContact O-N 2.83Å
169	S	97.1	Very high	96.6	Very high	13 Å²	13	23.8 Å²	23.8	9%	0.091	12%	0.122	C	C	.	.	S	Bend	trans	-127.1	-30	-171.6	-61.1	0	0	0	0	114.1	K131 D167 S393	K131-S169 WeakPolarHBondContact CB-O 3.28Å; K131-S169 PolarHBondContact N-O 3.01Å; D167-S169 PolarHBondContact O-N 2.86Å; D167-S169 VanDerWaalsContact O-N 3.15Å; D167-S169 PolarHBondContact OD1-N 3.08Å; S169-S393 WeakPolarHBondContact OG-CB 3.28Å; S169-S393 PolarHBondContact OG-N 3.19Å
170	N	97.6	Very high	96.5	Very high	9 Å²	9	24 Å²	24	5%	0.048	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.7	-169.1	-52.4	-67.3	0	0	0	112.8	I128 L129 K166 D167 Y172	I128-N170 HydrophobicContact CG2-CB 4.01Å; L129-N170 CarbonylContact O-C 3.59Å; L129-N170 WeakPolarHBondContact O-CA 3.3Å; K166-N170 WeakPolarHBondContact CA-O 3.28Å; D167-N170 PolarHBondContact N-O 3.45Å; D167-N170 PolarHBondContact OD1-N 3.33Å; N170-Y172 HydrophobicContact CB-CD2 4.45Å; N170-Y172 HydrophobicContact CB-CE1 4.18Å; N170-Y172 HydrophobicContact CB-CE2 3.71Å; N170-Y172 PolarHBondContact ND2-OH 3.21Å
171	L	97.1	Very high	96.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.2	165.7	-50.4	172.4	0	0	0	108.1	I128 L129 K131 T143 K166 F402 F405	I128-L171 WeakPolarHBondContact CA-O 3.37Å; L129-L171 HydrophobicContact CB-CB 4.28Å; L129-L171 PolarHBondContact N-O 3.32Å; L129-L171 PolarHBondContact O-N 3.47Å; K131-L171 HydrophobicContact CD-CD2 3.87Å; K131-L171 HydrophobicContact CD-CG 4.4Å; K131-L171 HydrophobicContact CG-CD1 4.42Å; K131-L171 HydrophobicContact CG-CD2 3.82Å; K131-L171 HydrophobicContact CG-CG 3.78Å; T143-L171 HydrophobicContact CG2-CD1 3.63Å; K166-L171 HydrophobicContact CB-CD2 3.71Å; K166-L171 HydrophobicContact CD-CD2 4.4Å; L171-F402 HydrophobicContact CD1-CD1 3.52Å; L171-F402 HydrophobicContact CD1-CD2 4.38Å; L171-F402 HydrophobicContact CD1-CE1 3.53Å; L171-F402 HydrophobicContact CD1-CE2 4.39Å; L171-F402 HydrophobicContact CD1-CG 3.96Å; L171-F402 HydrophobicContact CD1-CZ 3.99Å; L171-F402 HydrophobicContact CD2-CB 4Å; L171-F402 HydrophobicContact CD2-CD1 4.3Å; L171-F402 HydrophobicContact CD2-CD2 4.4Å; L171-F402 HydrophobicContact CD2-CG 3.98Å; L171-F402 HydrophobicContact CG-CD1 4.49Å; L171-F405 HydrophobicContact CB-CD1 4.45Å; L171-F405 HydrophobicContact CB-CD2 4.33Å; L171-F405 HydrophobicContact CB-CE1 4.01Å; L171-F405 HydrophobicContact CB-CE2 3.87Å; L171-F405 HydrophobicContact CB-CZ 3.69Å; L171-F405 HydrophobicContact CD1-CD2 3.81Å; L171-F405 HydrophobicContact CD1-CE2 3.91Å; L171-F405 HydrophobicContact CD1-CG 4.39Å; L171-F405 HydrophobicContact CD2-CB 4.26Å; L171-F405 HydrophobicContact CD2-CD1 3.97Å; L171-F405 HydrophobicContact CD2-CD2 4.1Å; L171-F405 HydrophobicContact CD2-CE1 4.36Å; L171-F405 HydrophobicContact CD2-CE2 4.48Å; L171-F405 HydrophobicContact CD2-CG 3.83Å; L171-F405 HydrophobicContact CG-CD2 4.29Å; L171-F405 HydrophobicContact CG-CE2 4.29Å; L171-F405 HydrophobicContact CG-CG 4.49Å; L171-F405 HydrophobicContact CG-CZ 4.49Å
172	Y	97.6	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.2	-175.8	-56.7	-90.3	0	0	0	109.7	L95 M126 K127 I128 S164 F165 D167 N170 L390	L95-Y172 HydrophobicContact CD1-CD1 4.24Å; L95-Y172 HydrophobicContact CD1-CE1 3.74Å; M126-Y172 HydrophobicContact CG-CD1 4.2Å; M126-Y172 HydrophobicContact SD-CD1 3.69Å; M126-Y172 HydrophobicContact SD-CE1 4.28Å; K127-Y172 WeakPolarHBondContact O-CA 3.3Å; I128-Y172 HydrophobicContact CB-CD1 4.41Å; I128-Y172 HydrophobicContact CB-CE1 4.41Å; I128-Y172 HydrophobicContact CD1-CE1 4.39Å; I128-Y172 HydrophobicContact CG1-CD1 3.96Å; I128-Y172 HydrophobicContact CG1-CE1 4.08Å; I128-Y172 HydrophobicContact CG2-CD1 4.11Å; I128-Y172 HydrophobicContact CG2-CE1 3.7Å; S164-Y172 CarbonylContact C-O 3.49Å; S164-Y172 WeakPolarHBondContact CA-O 3.17Å; F165-Y172 AromaticContact CD2-CD2 3.35Å; F165-Y172 HydrophobicContact CD2-CD2 3.35Å; F165-Y172 HydrophobicContact CD2-CE2 4.1Å; F165-Y172 AromaticContact CD2-CG 3.71Å; F165-Y172 HydrophobicContact CD2-CG 3.71Å; F165-Y172 HydrophobicContact CE1-CG 4.47Å; F165-Y172 VanDerWaalsContact CE2-CB 3.49Å; F165-Y172 AromaticContact CE2-CD1 3.87Å; F165-Y172 HydrophobicContact CE2-CD1 3.87Å; F165-Y172 AromaticContact CE2-CD2 3.22Å; F165-Y172 HydrophobicContact CE2-CD2 3.22Å; F165-Y172 HydrophobicContact CE2-CE1 4.4Å; F165-Y172 AromaticContact CE2-CE2 3.82Å; F165-Y172 HydrophobicContact CE2-CE2 3.82Å; F165-Y172 AromaticContact CE2-CG 3.23Å; F165-Y172 HydrophobicContact CE2-CG 3.23Å; F165-Y172 HydrophobicContact CG-CD2 4.33Å; F165-Y172 HydrophobicContact CG-CG 4.49Å; F165-Y172 HydrophobicContact CZ-CD1 4.1Å; F165-Y172 HydrophobicContact CZ-CD2 4.14Å; F165-Y172 AromaticContact CZ-CG 3.68Å; F165-Y172 HydrophobicContact CZ-CG 3.68Å; F165-Y172 PolarHBondContact N-O 3.47Å; F165-Y172 WeakPolarHBondContact O-CB 3.24Å; F165-Y172 PolarHBondContact O-N 3.17Å; D167-Y172 HydrophobicContact CB-CE2 4.21Å; D167-Y172 VanDerWaalsContact OD2-CE2 3.22Å; D167-Y172 WeakPolarHBondContact OD2-CE2 3.49Å; D167-Y172 VanDerWaalsContact OD2-CZ 3.26Å; D167-Y172 PolarHBondContact OD2-OH 2.88Å; N170-Y172 HydrophobicContact CB-CD2 4.45Å; N170-Y172 HydrophobicContact CB-CE1 4.18Å; N170-Y172 HydrophobicContact CB-CE2 3.71Å; N170-Y172 PolarHBondContact ND2-OH 3.21Å; Y172-L390 HydrophobicContact CE1-CD2 4.06Å
173	M	97.3	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121	166.9	-65.1	177.2	-77.7	0	0	107.7	M126 K127 L129 E146 K147 L150 M161 L175 F405	M126-M173 CarbonylContact C-O 3.47Å; M126-M173 WeakPolarHBondContact CA-O 3.43Å; K127-M173 HydrophobicContact CB-CB 4.39Å; K127-M173 HydrophobicContact CD-CE 3.88Å; K127-M173 HydrophobicContact CG-CE 4.18Å; K127-M173 PolarHBondContact N-O 3.45Å; K127-M173 PolarHBondContact O-N 3.43Å; L129-M173 HydrophobicContact CD1-CE 3.75Å; L129-M173 HydrophobicContact CG-CE 4.47Å; E146-M173 HydrophobicContact CG-CE 4.29Å; E146-M173 HydrophobicContact CG-SD 4.16Å; K147-M173 HydrophobicContact CB-SD 3.99Å; L150-M173 HydrophobicContact CD1-SD 4.11Å; M161-M173 HydrophobicContact SD-CB 3.86Å; M161-M173 HydrophobicContact SD-CG 3.83Å; M161-M173 HydrophobicContact SD-SD 4.33Å; M173-L175 HydrophobicContact CB-CD2 4.23Å; M173-F405 HydrophobicContact CG-CZ 3.88Å
174	V	97.4	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	103.6	-178.4	-173.1	0	0	0	0	107.7	F98 Y124 M126 D162 F163 F165	F98-V174 HydrophobicContact CE1-CG1 4.03Å; F98-V174 HydrophobicContact CE2-CG2 4.22Å; F98-V174 HydrophobicContact CZ-CG1 4.14Å; F98-V174 HydrophobicContact CZ-CG2 4.1Å; Y124-V174 VanDerWaalsContact CB-CG1 3.45Å; Y124-V174 HydrophobicContact CD1-CG1 3.88Å; Y124-V174 HydrophobicContact CD2-CG1 4.21Å; Y124-V174 HydrophobicContact CG-CG1 3.59Å; M126-V174 HydrophobicContact CE-CG2 3.87Å; M126-V174 HydrophobicContact CG-CG2 4.28Å; D162-V174 PolarHBondContact N-O 2.88Å; F163-V174 HydrophobicContact CB-CB 3.89Å; F163-V174 HydrophobicContact CB-CG2 3.99Å; F163-V174 HydrophobicContact CD2-CB 3.91Å; F163-V174 HydrophobicContact CD2-CG1 3.82Å; F163-V174 HydrophobicContact CD2-CG2 4.48Å; F163-V174 HydrophobicContact CG-CB 4.41Å; F163-V174 PolarHBondContact N-O 3.34Å; F163-V174 PolarHBondContact O-N 3.1Å; F165-V174 HydrophobicContact CE1-CG2 3.73Å
175	L	97.4	Very high	96.3	Very high	11 Å²	11	24 Å²	24	6%	0.058	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	156.8	-173.8	-50.1	178.7	0	0	0	110.4	Y124 A125 L150 V159 S160 M161 M173 F177	Y124-L175 WeakPolarHBondContact CA-O 3.28Å; Y124-L175 WeakPolarHBondContact CB-O 3.22Å; Y124-L175 WeakPolarHBondContact CD1-O 3.26Å; A125-L175 HydrophobicContact CB-CB 4.42Å; A125-L175 PolarHBondContact N-O 2.92Å; A125-L175 WeakPolarHBondContact O-CB 3.44Å; A125-L175 PolarHBondContact O-N 3.14Å; L150-L175 HydrophobicContact CD1-CD2 4.02Å; V159-L175 HydrophobicContact CG1-CB 3.76Å; V159-L175 HydrophobicContact CG1-CD1 4.19Å; V159-L175 HydrophobicContact CG1-CD2 4.46Å; V159-L175 HydrophobicContact CG1-CG 4.35Å; S160-L175 VanDerWaalsContact O-CA 3.32Å; S160-L175 WeakPolarHBondContact O-CA 3.21Å; M161-L175 HydrophobicContact CB-CD2 3.68Å; M161-L175 HydrophobicContact CG-CD2 3.83Å; M161-L175 HydrophobicContact SD-CD2 4.41Å; M173-L175 HydrophobicContact CB-CD2 4.23Å; L175-F177 PolarHBondContact O-N 3.22Å
176	E	96.7	Very high	96.3	Very high	44 Å²	44	24.3 Å²	24.3	21%	0.206	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	139.7	167.7	65.2	176.1	137.1	0	0	110.7	V159 S160 V178 K236	V159-E176 WeakPolarHBondContact CA-OE1 3.36Å; V159-E176 HydrophobicContact CB-CG 4.43Å; V159-E176 HydrophobicContact CG1-CG 3.91Å; S160-E176 PolarHBondContact N-OE1 3.35Å; S160-E176 PolarHBondContact O-N 2.69Å; E176-V178 HydrophobicContact CG-CG2 4.23Å; E176-K236 VanDerWaalsContact CD-NZ 3.33Å; E176-K236 WeakPolarHBondContact OE1-CD 3.34Å; E176-K236 VanDerWaalsContact OE1-CE 3.25Å; E176-K236 WeakPolarHBondContact OE1-CE 2.88Å; E176-K236 IonicContact OE1-NZ 3.81Å; E176-K236 PolarHBondContact OE1-NZ 2.82Å; E176-K236 WeakPolarHBondContact OE2-CE 3.38Å; E176-K236 IonicContact OE2-NZ 3.55Å; E176-K236 PolarHBondContact OE2-NZ 3Å; E176-K236 VanDerWaalsContact OE2-NZ 3.13Å
177	F	97.5	Very high	96.4	Very high	28 Å²	28	20.3 Å²	20.3	12%	0.123	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-87.7	122.3	175.2	176.1	-122.5	0	0	0	110.5	L104 L114 A125 L175 P376 D378 T379 F382	L104-F177 HydrophobicContact CD1-CD2 3.81Å; L104-F177 HydrophobicContact CD1-CE2 3.64Å; L104-F177 HydrophobicContact CD2-CE2 4.06Å; L114-F177 HydrophobicContact CD1-CB 4.32Å; L114-F177 HydrophobicContact CD1-CD1 3.72Å; L114-F177 HydrophobicContact CD1-CD2 3.8Å; L114-F177 HydrophobicContact CD1-CE1 3.9Å; L114-F177 HydrophobicContact CD1-CE2 4Å; L114-F177 HydrophobicContact CD1-CG 3.66Å; L114-F177 HydrophobicContact CD1-CZ 4.05Å; A125-F177 HydrophobicContact CB-CD2 4.46Å; L175-F177 PolarHBondContact O-N 3.22Å; F177-P376 VanDerWaalsContact CD1-O 3.24Å; F177-P376 WeakPolarHBondContact CD1-O 3.19Å; F177-P376 WeakPolarHBondContact CE1-O 3.04Å; F177-D378 VanDerWaalsContact CZ-O 3.26Å; F177-D378 WeakPolarHBondContact CZ-O 3.14Å; F177-T379 HydrophobicContact CZ-CG2 4.37Å; F177-F382 AromaticContact CE2-CE2 3.72Å; F177-F382 HydrophobicContact CE2-CE2 3.72Å; F177-F382 AromaticContact CE2-CZ 4Å; F177-F382 HydrophobicContact CE2-CZ 4Å; F177-F382 AromaticContact CZ-CE2 3.93Å; F177-F382 HydrophobicContact CZ-CE2 3.93Å
178	V	96.8	Very high	96.4	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.036	12%	0.12	C	C	.	.			trans	-108.6	105.9	179.3	-172	0	0	0	0	108.9	V159 E176 G180 L228 I229 A230 K236 F382	V159-V178 HydrophobicContact CG2-CG2 4.31Å; E176-V178 HydrophobicContact CG-CG2 4.23Å; V178-G180 PolarHBondContact O-N 2.92Å; V178-L228 HydrophobicContact CB-CB 3.96Å; V178-L228 HydrophobicContact CB-CD1 3.87Å; V178-L228 HydrophobicContact CG1-CB 3.66Å; V178-L228 HydrophobicContact CG2-CD1 4.2Å; V178-I229 WeakPolarHBondContact CG1-O 3.28Å; V178-A230 HydrophobicContact CG1-CB 3.92Å; V178-K236 HydrophobicContact CG1-CB 4.21Å; V178-K236 HydrophobicContact CG1-CG 4.18Å; V178-K236 HydrophobicContact CG2-CB 3.81Å; V178-K236 HydrophobicContact CG2-CG 3.8Å; V178-F382 VanDerWaalsContact O-CZ 3.27Å; V178-F382 WeakPolarHBondContact O-CZ 3.13Å
179	S	94.2	Very high	96.3	Very high	11 Å²	11	28.7 Å²	28.7	8%	0.077	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.7	-163.4	56.2	0	0	0	0	116.3	G181 C373 N381	S179-G181 VanDerWaalsContact C-N 3.3Å; S179-G181 PolarHBondContact O-N 3.31Å; S179-C373 PolarHBondContact OG-SG 3.2Å; S179-C373 VanDerWaalsContact OG-SG 3.35Å; S179-N381 PolarHBondContact O-ND2 3.15Å
180	G	94.6	Very high	96.3	Very high	8 Å²	8	31.3 Å²	31.3	8%	0.082	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.6	-173.4	0	0	0	0	0	115.6	V178 I229	V178-G180 PolarHBondContact O-N 2.92Å; G180-I229 CarbonylContact C-O 3.59Å; G180-I229 WeakPolarHBondContact CA-O 3.28Å; G180-I229 PolarHBondContact N-O 3.42Å
181	G	93.7	Very high	96.3	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.021	17%	0.166	C	C	.	.			trans	76	-168.4	178.6	0	0	0	0	0	113.5	S179 L228 I229	S179-G181 VanDerWaalsContact C-N 3.3Å; S179-G181 PolarHBondContact O-N 3.31Å; G181-L228 CarbonylContact O-C 3.45Å; G181-L228 WeakPolarHBondContact O-CA 3.37Å; G181-I229 PolarHBondContact O-N 3.28Å
182	E	95.2	Very high	96.4	Very high	66 Å²	66	37.2 Å²	37.2	31%	0.308	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-79.9	140.9	-173.4	-60	172.7	-172.3	0	0	112.5	F184 S185 Y186 L228	E182-F184 HydrophobicContact CB-CB 4.28Å; E182-F184 PolarHBondContact O-N 3.01Å; E182-S185 PolarHBondContact O-N 2.63Å; E182-Y186 PolarHBondContact O-N 3.14Å; E182-L228 HydrophobicContact CG-CD2 3.9Å
183	M	97.5	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.1	-35.4	168.8	176.9	-171.5	-73.7	0	0	110.7	S185 Y186 L187 F193 Y201 P224 L227 I229 L235 L282 M286	M183-S185 PolarHBondContact O-N 3.04Å; M183-Y186 PolarHBondContact O-N 3.39Å; M183-Y186 VanDerWaalsContact O-N 3.16Å; M183-L187 WeakPolarHBondContact O-CB 3.45Å; M183-L187 PolarHBondContact O-N 2.79Å; M183-F193 HydrophobicContact CG-CE2 4.06Å; M183-F193 HydrophobicContact CG-CZ 4.16Å; M183-F193 HydrophobicContact SD-CE2 4.18Å; M183-Y201 HydrophobicContact CE-CD1 4.01Å; M183-Y201 HydrophobicContact CE-CD2 4.06Å; M183-Y201 HydrophobicContact CE-CG 3.69Å; M183-P224 HydrophobicContact CB-CB 4.46Å; M183-P224 HydrophobicContact CG-CB 4.39Å; M183-P224 PolarHBondContact N-O 2.98Å; M183-P224 HydrophobicContact SD-CB 4.46Å; M183-L227 HydrophobicContact CB-CB 4.01Å; M183-L227 WeakPolarHBondContact CB-O 3.29Å; M183-L227 HydrophobicContact CE-CB 4.34Å; M183-L227 HydrophobicContact CE-CD1 3.9Å; M183-L227 PolarHBondContact N-O 3.33Å; M183-L227 HydrophobicContact SD-CD1 3.87Å; M183-I229 HydrophobicContact CB-CD1 4.41Å; M183-I229 HydrophobicContact CB-CG1 4.4Å; M183-L235 HydrophobicContact CE-CD1 3.61Å; M183-L235 HydrophobicContact CE-CD2 3.41Å; M183-L235 VanDerWaalsContact CE-CD2 3.41Å; M183-L235 HydrophobicContact CE-CG 4.13Å; M183-L282 HydrophobicContact SD-CD1 4.4Å; M183-M286 HydrophobicContact CE-SD 4.12Å; M183-M286 HydrophobicContact SD-CG 4.26Å; M183-M286 HydrophobicContact SD-SD 3.81Å
184	F	96.1	Very high	96.4	Very high	63 Å²	63	40 Å²	40	28%	0.276	20%	0.204	S	C	.	.	H	α-helix	trans	-51.1	-54.4	176.3	-176.6	-97.3	0	0	0	112.1	E182 Y186 L187 R188 P224 E225	E182-F184 HydrophobicContact CB-CB 4.28Å; E182-F184 PolarHBondContact O-N 3.01Å; F184-Y186 VanDerWaalsContact C-N 3.29Å; F184-Y186 PolarHBondContact O-N 2.88Å; F184-L187 PolarHBondContact O-N 3.3Å; F184-R188 HydrophobicContact CD1-CG 4.15Å; F184-R188 HydrophobicContact CD2-CG 4.39Å; F184-R188 HydrophobicContact CE1-CG 3.85Å; F184-R188 HydrophobicContact CE2-CG 4.11Å; F184-R188 HydrophobicContact CG-CG 4.41Å; F184-R188 HydrophobicContact CZ-CG 3.82Å; F184-R188 WeakPolarHBondContact O-CB 3.46Å; F184-R188 VanDerWaalsContact O-CG 3.22Å; F184-R188 WeakPolarHBondContact O-CG 3.31Å; F184-R188 PolarHBondContact O-N 3.5Å; F184-P224 HydrophobicContact CB-CB 3.85Å; F184-P224 HydrophobicContact CD2-CB 4.19Å; F184-P224 PolarHBondContact N-O 3.08Å; F184-P224 VanDerWaalsContact N-O 3.14Å; F184-E225 HydrophobicContact CB-CG 3.92Å; F184-E225 HydrophobicContact CD1-CG 4.47Å; F184-E225 HydrophobicContact CD2-CG 4Å; F184-E225 HydrophobicContact CG-CG 3.88Å
185	S	93.8	Very high	96.5	Very high	53 Å²	53	42 Å²	42	37%	0.371	21%	0.213	S	C	.	.	H	α-helix	trans	-60	-39.2	179.1	-66.4	0	0	0	0	112.2	E182 M183 R189	E182-S185 PolarHBondContact O-N 2.63Å; M183-S185 PolarHBondContact O-N 3.04Å; S185-R189 VanDerWaalsContact O-CB 3.3Å; S185-R189 WeakPolarHBondContact O-CB 3.49Å; S185-R189 PolarHBondContact O-N 3.32Å; S185-R189 VanDerWaalsContact O-N 3.13Å
186	Y	95.5	Very high	96.5	Very high	26 Å²	26	48.1 Å²	48.1	10%	0.102	24%	0.242	C	C	.	.	H	α-helix	trans	-66.2	-50.6	175.5	177.5	-138.5	0	0	0	112.2	E182 M183 F184 R188 R189 V190 F193 Y201 I229 F369	E182-Y186 PolarHBondContact O-N 3.14Å; M183-Y186 PolarHBondContact O-N 3.39Å; M183-Y186 VanDerWaalsContact O-N 3.16Å; F184-Y186 VanDerWaalsContact C-N 3.29Å; F184-Y186 PolarHBondContact O-N 2.88Å; Y186-R188 VanDerWaalsContact C-N 3.33Å; Y186-R188 PolarHBondContact O-N 2.93Å; Y186-R189 WeakPolarHBondContact O-CB 3.16Å; Y186-R189 PolarHBondContact O-N 3.41Å; Y186-R189 VanDerWaalsContact O-N 3.16Å; Y186-V190 HydrophobicContact CD2-CG1 3.83Å; Y186-V190 HydrophobicContact CE2-CB 4.47Å; Y186-V190 HydrophobicContact CE2-CG1 3.31Å; Y186-V190 HydrophobicContact CE2-CG2 4.35Å; Y186-V190 WeakPolarHBondContact O-CG2 3.12Å; Y186-V190 PolarHBondContact O-N 3.31Å; Y186-F193 AromaticContact CD1-CE1 3.47Å; Y186-F193 HydrophobicContact CD1-CE1 3.47Å; Y186-F193 VanDerWaalsContact CD1-CE1 3.47Å; Y186-F193 AromaticContact CD1-CZ 3.39Å; Y186-F193 HydrophobicContact CD1-CZ 3.39Å; Y186-F193 HydrophobicContact CE1-CD1 4.21Å; Y186-F193 AromaticContact CE1-CE1 3.34Å; Y186-F193 HydrophobicContact CE1-CE1 3.34Å; Y186-F193 AromaticContact CE1-CZ 3.62Å; Y186-F193 HydrophobicContact CE1-CZ 3.62Å; Y186-F193 HydrophobicContact CG-CE1 4.12Å; Y186-F193 HydrophobicContact CG-CZ 4.2Å; Y186-F193 AromaticContact CZ-CE1 3.92Å; Y186-Y201 HydrophobicContact CE1-CE2 4.44Å; Y186-I229 HydrophobicContact CD1-CD1 3.72Å; Y186-I229 HydrophobicContact CG-CD1 4.24Å; Y186-F369 HydrophobicContact CD1-CB 4.45Å; Y186-F369 AromaticContact CD1-CD1 3.73Å; Y186-F369 HydrophobicContact CD1-CD1 3.73Å; Y186-F369 HydrophobicContact CD1-CE1 4.23Å; Y186-F369 HydrophobicContact CD1-CG 4.16Å; Y186-F369 HydrophobicContact CD2-CD1 4.13Å; Y186-F369 HydrophobicContact CD2-CD2 4.4Å; Y186-F369 HydrophobicContact CD2-CE1 4.05Å; Y186-F369 HydrophobicContact CD2-CE2 4.34Å; Y186-F369 HydrophobicContact CD2-CG 4.3Å; Y186-F369 HydrophobicContact CD2-CZ 4.17Å; Y186-F369 HydrophobicContact CE1-CB 3.58Å; Y186-F369 AromaticContact CE1-CD1 3.71Å; Y186-F369 HydrophobicContact CE1-CD1 3.71Å; Y186-F369 HydrophobicContact CE1-CD2 4.45Å; Y186-F369 AromaticContact CE1-CG 3.66Å; Y186-F369 HydrophobicContact CE1-CG 3.66Å; Y186-F369 HydrophobicContact CE2-CB 4.32Å; Y186-F369 HydrophobicContact CE2-CD1 4.06Å; Y186-F369 AromaticContact CE2-CD2 3.75Å; Y186-F369 HydrophobicContact CE2-CD2 3.75Å; Y186-F369 HydrophobicContact CE2-CE1 4.32Å; Y186-F369 HydrophobicContact CE2-CE2 4.04Å; Y186-F369 AromaticContact CE2-CG 3.77Å; Y186-F369 HydrophobicContact CE2-CG 3.77Å; Y186-F369 HydrophobicContact CE2-CZ 4.31Å; Y186-F369 AromaticContact CG-CD1 3.97Å; Y186-F369 HydrophobicContact CG-CD1 3.97Å; Y186-F369 HydrophobicContact CG-CE1 4Å; Y186-F369 HydrophobicContact CG-CG 4.48Å; Y186-F369 AromaticContact CZ-CD1 3.9Å; Y186-F369 AromaticContact CZ-CD2 3.82Å; Y186-F369 AromaticContact CZ-CG 3.46Å; Y186-F369 VanDerWaalsContact CZ-CG 3.46Å; Y186-F369 WeakPolarHBondContact OH-CB 3.48Å
187	L	97.7	Very high	96.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-45.2	-179.9	179	59.1	0	0	0	111.4	M183 F184 R189 V190 G191 F193 P224 E285	M183-L187 WeakPolarHBondContact O-CB 3.45Å; M183-L187 PolarHBondContact O-N 2.79Å; F184-L187 PolarHBondContact O-N 3.3Å; L187-R189 VanDerWaalsContact C-N 3.34Å; L187-R189 PolarHBondContact O-N 3.41Å; L187-V190 PolarHBondContact O-N 2.87Å; L187-G191 CarbonylContact O-C 3.47Å; L187-G191 WeakPolarHBondContact O-CA 3.22Å; L187-G191 PolarHBondContact O-N 3.45Å; L187-F193 HydrophobicContact CB-CE1 4.13Å; L187-F193 HydrophobicContact CB-CE2 4.42Å; L187-F193 HydrophobicContact CB-CZ 3.79Å; L187-F193 HydrophobicContact CD1-CD1 3.9Å; L187-F193 HydrophobicContact CD1-CD2 4.18Å; L187-F193 HydrophobicContact CD1-CE1 3.85Å; L187-F193 HydrophobicContact CD1-CE2 4.13Å; L187-F193 HydrophobicContact CD1-CG 4.05Å; L187-F193 HydrophobicContact CD1-CZ 3.95Å; L187-F193 HydrophobicContact CG-CZ 4.45Å; L187-P224 HydrophobicContact CD2-CG 4.48Å; L187-E285 HydrophobicContact CD2-CG 3.97Å
188	R	96.5	Very high	96.7	Very high	115 Å²	115	46.6 Å²	46.6	43%	0.434	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-37.3	178.4	-65.5	-69.5	156.1	-170.5	-5	112.2	F184 Y186 E285 G289	F184-R188 HydrophobicContact CD1-CG 4.15Å; F184-R188 HydrophobicContact CD2-CG 4.39Å; F184-R188 HydrophobicContact CE1-CG 3.85Å; F184-R188 HydrophobicContact CE2-CG 4.11Å; F184-R188 HydrophobicContact CG-CG 4.41Å; F184-R188 HydrophobicContact CZ-CG 3.82Å; F184-R188 WeakPolarHBondContact O-CB 3.46Å; F184-R188 VanDerWaalsContact O-CG 3.22Å; F184-R188 WeakPolarHBondContact O-CG 3.31Å; F184-R188 PolarHBondContact O-N 3.5Å; Y186-R188 VanDerWaalsContact C-N 3.33Å; Y186-R188 PolarHBondContact O-N 2.93Å; R188-E285 IonicContact CZ-OE1 3.83Å; R188-E285 IonicContact NH2-OE1 2.69Å; R188-E285 PolarHBondContact NH2-OE1 2.91Å; R188-G289 PolarHBondContact NH1-O 3.38Å
189	R	95.2	Very high	96.8	Very high	148 Å²	148	48.2 Å²	48.2	56%	0.558	24%	0.242	S	C	*	.	H	α-helix	trans	-66	-41.5	177.1	177.3	174.4	59.8	-141.6	-1.1	112.8	S185 Y186 L187	S185-R189 VanDerWaalsContact O-CB 3.3Å; S185-R189 WeakPolarHBondContact O-CB 3.49Å; S185-R189 PolarHBondContact O-N 3.32Å; S185-R189 VanDerWaalsContact O-N 3.13Å; Y186-R189 WeakPolarHBondContact O-CB 3.16Å; Y186-R189 PolarHBondContact O-N 3.41Å; Y186-R189 VanDerWaalsContact O-N 3.16Å; L187-R189 VanDerWaalsContact C-N 3.34Å; L187-R189 PolarHBondContact O-N 3.41Å
190	V	96.8	Very high	97	Very high	67 Å²	67	48.6 Å²	48.6	41%	0.406	24%	0.242	S	C	.	.	H	α-helix	trans	-88.9	-11.7	179.8	-56.9	0	0	0	0	113.5	Y186 L187 K192 F193	Y186-V190 HydrophobicContact CD2-CG1 3.83Å; Y186-V190 HydrophobicContact CE2-CB 4.47Å; Y186-V190 HydrophobicContact CE2-CG1 3.31Å; Y186-V190 HydrophobicContact CE2-CG2 4.35Å; Y186-V190 WeakPolarHBondContact O-CG2 3.12Å; Y186-V190 PolarHBondContact O-N 3.31Å; L187-V190 PolarHBondContact O-N 2.87Å; V190-K192 VanDerWaalsContact C-N 3.25Å; V190-K192 PolarHBondContact O-N 2.97Å; V190-K192 VanDerWaalsContact O-N 3.15Å; V190-F193 HydrophobicContact CG2-CD1 3.59Å; V190-F193 HydrophobicContact CG2-CE1 3.51Å
191	G	98.1	Very high	97.2	Very high	42 Å²	42	48.3 Å²	48.3	43%	0.433	24%	0.238	S	C	.	.	S	Bend	trans	86	-51.4	-179.5	0	0	0	0	0	112.8	L187 G289	L187-G191 CarbonylContact O-C 3.47Å; L187-G191 WeakPolarHBondContact O-CA 3.22Å; L187-G191 PolarHBondContact O-N 3.45Å; G191-G289 WeakPolarHBondContact O-CA 3.22Å
192	K	97.9	Very high	97.4	Very high	91 Å²	91	48.2 Å²	48.2	40%	0.396	24%	0.237	S	C	.	.	S	Bend	trans	-158.6	159.4	172.6	69.1	-177	-168.6	172.4	0	110.7	V190 H315	V190-K192 VanDerWaalsContact C-N 3.25Å; V190-K192 PolarHBondContact O-N 2.97Å; V190-K192 VanDerWaalsContact O-N 3.15Å; K192-H315 PolarHBondContact NZ-CD2 2.89Å; K192-H315 VanDerWaalsContact NZ-CD2 3.3Å; K192-H315 PolarHBondContact NZ-CE1 3.36Å; K192-H315 PolarHBondContact NZ-NE2 3.34Å
193	F	98.4	Very high	97.6	Very high	6 Å²	6	45 Å²	45	3%	0.026	22%	0.223	C	C	.	.			trans	-88.7	157.8	173.6	-64.1	-17.9	0	0	0	111.5	M183 Y186 L187 V190 D197 S198 Y201 M286	M183-F193 HydrophobicContact CG-CE2 4.06Å; M183-F193 HydrophobicContact CG-CZ 4.16Å; M183-F193 HydrophobicContact SD-CE2 4.18Å; Y186-F193 AromaticContact CD1-CE1 3.47Å; Y186-F193 HydrophobicContact CD1-CE1 3.47Å; Y186-F193 VanDerWaalsContact CD1-CE1 3.47Å; Y186-F193 AromaticContact CD1-CZ 3.39Å; Y186-F193 HydrophobicContact CD1-CZ 3.39Å; Y186-F193 HydrophobicContact CE1-CD1 4.21Å; Y186-F193 AromaticContact CE1-CE1 3.34Å; Y186-F193 HydrophobicContact CE1-CE1 3.34Å; Y186-F193 AromaticContact CE1-CZ 3.62Å; Y186-F193 HydrophobicContact CE1-CZ 3.62Å; Y186-F193 HydrophobicContact CG-CE1 4.12Å; Y186-F193 HydrophobicContact CG-CZ 4.2Å; Y186-F193 AromaticContact CZ-CE1 3.92Å; L187-F193 HydrophobicContact CB-CE1 4.13Å; L187-F193 HydrophobicContact CB-CE2 4.42Å; L187-F193 HydrophobicContact CB-CZ 3.79Å; L187-F193 HydrophobicContact CD1-CD1 3.9Å; L187-F193 HydrophobicContact CD1-CD2 4.18Å; L187-F193 HydrophobicContact CD1-CE1 3.85Å; L187-F193 HydrophobicContact CD1-CE2 4.13Å; L187-F193 HydrophobicContact CD1-CG 4.05Å; L187-F193 HydrophobicContact CD1-CZ 3.95Å; L187-F193 HydrophobicContact CG-CZ 4.45Å; V190-F193 HydrophobicContact CG2-CD1 3.59Å; V190-F193 HydrophobicContact CG2-CE1 3.51Å; F193-D197 HydrophobicContact CB-CB 4.14Å; F193-S198 WeakPolarHBondContact CB-OG 3.5Å; F193-Y201 AromaticContact CD2-CD2 3.86Å; F193-Y201 HydrophobicContact CD2-CD2 3.86Å; F193-Y201 HydrophobicContact CD2-CE2 4.08Å; F193-Y201 AromaticContact CE2-CD2 3.73Å; F193-Y201 HydrophobicContact CE2-CD2 3.73Å; F193-Y201 AromaticContact CE2-CE2 3.78Å; F193-Y201 HydrophobicContact CE2-CE2 3.78Å; F193-Y201 HydrophobicContact CZ-CE2 4.26Å; F193-M286 HydrophobicContact CB-CB 4.48Å; F193-M286 HydrophobicContact CD2-CB 3.79Å; F193-M286 HydrophobicContact CD2-CG 3.77Å; F193-M286 HydrophobicContact CD2-SD 3.92Å; F193-M286 HydrophobicContact CE2-CB 4.48Å; F193-M286 HydrophobicContact CE2-CG 3.99Å; F193-M286 HydrophobicContact CE2-SD 4.05Å; F193-M286 PolarHBondContact N-O 2.9Å
194	S	98.3	Very high	97.7	Very high	53 Å²	53	45.1 Å²	45.1	37%	0.371	22%	0.223	S	C	.	.			trans	-66.9	162.7	164.9	76	0	0	0	0	109.9	E196 D197 S198	S194-E196 PolarHBondContact O-N 2.93Å; S194-E196 PolarHBondContact OG-N 2.83Å; S194-D197 WeakPolarHBondContact CB-OD2 3.48Å; S194-D197 PolarHBondContact N-OD2 2.89Å; S194-D197 PolarHBondContact O-N 3.23Å; S194-D197 PolarHBondContact OG-N 3.26Å; S194-D197 VanDerWaalsContact OG-N 3.08Å; S194-D197 PolarHBondContact OG-OD1 3.23Å; S194-D197 PolarHBondContact OG-OD2 2.83Å; S194-S198 VanDerWaalsContact O-CB 3.28Å; S194-S198 WeakPolarHBondContact O-CB 3.48Å; S194-S198 PolarHBondContact O-N 3.06Å; S194-S198 PolarHBondContact O-OG 2.86Å
195	E	98.4	Very high	97.8	Very high	41 Å²	41	42.1 Å²	42.1	19%	0.192	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-27.4	173.9	-72.1	-163.2	-155.4	0	0	112.3	R199 S317 L320 W351	E195-R199 VanDerWaalsContact O-CB 3.27Å; E195-R199 WeakPolarHBondContact O-CB 3.39Å; E195-R199 PolarHBondContact O-N 2.99Å; E195-S317 VanDerWaalsContact OE1-CB 3.29Å; E195-S317 WeakPolarHBondContact OE1-CB 3.45Å; E195-S317 PolarHBondContact OE1-N 3.17Å; E195-S317 PolarHBondContact OE1-OG 3.2Å; E195-S317 WeakPolarHBondContact OE2-CB 3.31Å; E195-S317 PolarHBondContact OE2-OG 2.91Å; E195-L320 VanDerWaalsContact CD-CD2 3.47Å; E195-L320 HydrophobicContact CG-CD2 3.74Å; E195-L320 WeakPolarHBondContact OE2-CB 3.19Å; E195-W351 HydrophobicContact CB-CZ2 4.41Å; E195-W351 WeakPolarHBondContact O-CZ2 3.26Å; E195-W351 PolarHBondContact OE2-NE1 3.36Å
196	E	98.4	Very high	98	Very high	140 Å²	140	39.6 Å²	39.6	65%	0.654	19%	0.192	S	C	*	.	H	α-helix	trans	-69.3	-50.1	176.1	-174.1	173.3	172.7	0	0	111.4	S194 S198 R199 F200	S194-E196 PolarHBondContact O-N 2.93Å; S194-E196 PolarHBondContact OG-N 2.83Å; E196-S198 VanDerWaalsContact C-N 3.32Å; E196-S198 PolarHBondContact O-N 3.41Å; E196-R199 WeakPolarHBondContact O-CB 3.39Å; E196-R199 PolarHBondContact O-N 3.32Å; E196-R199 VanDerWaalsContact O-N 3.11Å; E196-F200 PolarHBondContact O-N 2.6Å
197	D	98.4	Very high	98.2	Very high	40 Å²	40	38.4 Å²	38.4	21%	0.214	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-40.5	176.9	-45.1	-35	0	0	0	110.8	F193 S194 R199 F200 Y201 P368	F193-D197 HydrophobicContact CB-CB 4.14Å; S194-D197 WeakPolarHBondContact CB-OD2 3.48Å; S194-D197 PolarHBondContact N-OD2 2.89Å; S194-D197 PolarHBondContact O-N 3.23Å; S194-D197 PolarHBondContact OG-N 3.26Å; S194-D197 VanDerWaalsContact OG-N 3.08Å; S194-D197 PolarHBondContact OG-OD1 3.23Å; S194-D197 PolarHBondContact OG-OD2 2.83Å; D197-R199 VanDerWaalsContact C-N 3.26Å; D197-R199 PolarHBondContact O-N 3.25Å; D197-F200 WeakPolarHBondContact O-CB 3.32Å; D197-F200 PolarHBondContact O-N 3.45Å; D197-Y201 VanDerWaalsContact O-CD2 3.25Å; D197-Y201 WeakPolarHBondContact O-CD2 3.25Å; D197-Y201 PolarHBondContact O-N 3.08Å; D197-P368 HydrophobicContact CB-CB 3.94Å; D197-P368 HydrophobicContact CB-CG 3.94Å; D197-P368 WeakPolarHBondContact OD1-CB 3.19Å
198	S	98.7	Very high	98.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-39	174.8	-59.1	0	0	0	0	111.3	F193 S194 E196 A202 M286	F193-S198 WeakPolarHBondContact CB-OG 3.5Å; S194-S198 VanDerWaalsContact O-CB 3.28Å; S194-S198 WeakPolarHBondContact O-CB 3.48Å; S194-S198 PolarHBondContact O-N 3.06Å; S194-S198 PolarHBondContact O-OG 2.86Å; E196-S198 VanDerWaalsContact C-N 3.32Å; E196-S198 PolarHBondContact O-N 3.41Å; S198-A202 WeakPolarHBondContact O-CB 3.41Å; S198-A202 PolarHBondContact O-N 3.34Å; S198-M286 WeakPolarHBondContact O-CE 3.47Å
199	R	98.8	Very high	98.4	Very high	41 Å²	41	33 Å²	33	16%	0.155	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-42.3	176.7	-173.4	-168.3	-57.9	118.3	7	111.6	E195 E196 D197 Y201 A202 S203 W351 F352 T355	E195-R199 VanDerWaalsContact O-CB 3.27Å; E195-R199 WeakPolarHBondContact O-CB 3.39Å; E195-R199 PolarHBondContact O-N 2.99Å; E196-R199 WeakPolarHBondContact O-CB 3.39Å; E196-R199 PolarHBondContact O-N 3.32Å; E196-R199 VanDerWaalsContact O-N 3.11Å; D197-R199 VanDerWaalsContact C-N 3.26Å; D197-R199 PolarHBondContact O-N 3.25Å; R199-Y201 VanDerWaalsContact C-N 3.33Å; R199-Y201 PolarHBondContact O-N 3.32Å; R199-A202 PolarHBondContact O-N 3.39Å; R199-S203 WeakPolarHBondContact O-CB 3.31Å; R199-S203 PolarHBondContact O-N 2.81Å; R199-S203 PolarHBondContact O-OG 3.45Å; R199-W351 HydrophobicContact CB-CH2 3.63Å; R199-W351 HydrophobicContact CB-CZ2 3.92Å; R199-W351 HydrophobicContact CB-CZ3 3.94Å; R199-W351 WeakPolarHBondContact CD-O 3.22Å; R199-W351 HydrophobicContact CG-CE3 4.26Å; R199-W351 HydrophobicContact CG-CH2 4.23Å; R199-W351 HydrophobicContact CG-CZ3 4.01Å; R199-W351 PolarHBondContact NE-O 3.49Å; R199-F352 HydrophobicContact CG-CD1 3.66Å; R199-F352 HydrophobicContact CG-CE1 3.85Å; R199-T355 WeakPolarHBondContact CD-OG1 3.34Å
200	F	98.8	Very high	98.5	Very high	19 Å²	19	26.9 Å²	26.9	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-58.1	-44.1	176.1	171.6	-94.8	0	0	0	112.2	E196 D197 S203 Q204 Y234 L365 A367 P368	E196-F200 PolarHBondContact O-N 2.6Å; D197-F200 WeakPolarHBondContact O-CB 3.32Å; D197-F200 PolarHBondContact O-N 3.45Å; F200-S203 PolarHBondContact O-OG 3.15Å; F200-Q204 VanDerWaalsContact CD1-NE2 3.35Å; F200-Q204 PolarHBondContact O-NE2 3.02Å; F200-Y234 AromaticContact CE2-CE1 3.89Å; F200-Y234 HydrophobicContact CE2-CE1 3.89Å; F200-Y234 HydrophobicContact CE2-CE2 4.31Å; F200-Y234 AromaticContact CE2-CZ 3.76Å; F200-Y234 AromaticContact CZ-CD1 3.96Å; F200-Y234 HydrophobicContact CZ-CD1 3.96Å; F200-Y234 HydrophobicContact CZ-CD2 4.13Å; F200-Y234 AromaticContact CZ-CE1 3.76Å; F200-Y234 HydrophobicContact CZ-CE1 3.76Å; F200-Y234 AromaticContact CZ-CE2 3.91Å; F200-Y234 HydrophobicContact CZ-CE2 3.91Å; F200-Y234 HydrophobicContact CZ-CG 4.15Å; F200-Y234 AromaticContact CZ-CZ 3.72Å; F200-L365 HydrophobicContact CD2-CB 4.46Å; F200-L365 HydrophobicContact CD2-CD1 4.48Å; F200-L365 HydrophobicContact CE2-CB 4.09Å; F200-A367 HydrophobicContact CE1-CB 4.05Å; F200-A367 HydrophobicContact CZ-CB 3.77Å; F200-P368 HydrophobicContact CD1-CG 3.77Å; F200-P368 HydrophobicContact CE1-CG 4.28Å; F200-P368 HydrophobicContact CG-CG 4.29Å
201	Y	98.8	Very high	98.6	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-74.6	-40.7	177.3	-69.6	-47	0	0	0	112.5	M183 Y186 F193 D197 R199 S203 Q204 V205 L235 M286 P368	M183-Y201 HydrophobicContact CE-CD1 4.01Å; M183-Y201 HydrophobicContact CE-CD2 4.06Å; M183-Y201 HydrophobicContact CE-CG 3.69Å; Y186-Y201 HydrophobicContact CE1-CE2 4.44Å; F193-Y201 AromaticContact CD2-CD2 3.86Å; F193-Y201 HydrophobicContact CD2-CD2 3.86Å; F193-Y201 HydrophobicContact CD2-CE2 4.08Å; F193-Y201 AromaticContact CE2-CD2 3.73Å; F193-Y201 HydrophobicContact CE2-CD2 3.73Å; F193-Y201 AromaticContact CE2-CE2 3.78Å; F193-Y201 HydrophobicContact CE2-CE2 3.78Å; F193-Y201 HydrophobicContact CZ-CE2 4.26Å; D197-Y201 VanDerWaalsContact O-CD2 3.25Å; D197-Y201 WeakPolarHBondContact O-CD2 3.25Å; D197-Y201 PolarHBondContact O-N 3.08Å; R199-Y201 VanDerWaalsContact C-N 3.33Å; R199-Y201 PolarHBondContact O-N 3.32Å; Y201-S203 VanDerWaalsContact C-N 3.32Å; Y201-S203 PolarHBondContact O-N 3.24Å; Y201-Q204 PolarHBondContact O-N 3.31Å; Y201-V205 PolarHBondContact O-N 3.08Å; Y201-L235 HydrophobicContact CD1-CD1 3.84Å; Y201-L235 HydrophobicContact CD1-CD2 3.6Å; Y201-L235 HydrophobicContact CD1-CG 3.64Å; Y201-L235 HydrophobicContact CE1-CD2 3.85Å; Y201-L235 HydrophobicContact CE1-CG 4.25Å; Y201-L235 HydrophobicContact CG-CD1 4.27Å; Y201-L235 HydrophobicContact CG-CD2 4.45Å; Y201-M286 HydrophobicContact CD2-SD 4.33Å; Y201-P368 HydrophobicContact CE2-CG 4.01Å
202	A	98.9	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.3	-36.5	178.2	0	0	0	0	0	112.8	S198 R199 Q204 V205 V206 L279 I283 M286 W351 F352	S198-A202 WeakPolarHBondContact O-CB 3.41Å; S198-A202 PolarHBondContact O-N 3.34Å; R199-A202 PolarHBondContact O-N 3.39Å; A202-Q204 VanDerWaalsContact C-N 3.29Å; A202-Q204 PolarHBondContact O-N 2.88Å; A202-V205 PolarHBondContact O-N 3.12Å; A202-V206 WeakPolarHBondContact O-CG2 3.48Å; A202-V206 PolarHBondContact O-N 2.95Å; A202-L279 HydrophobicContact CB-CD1 4.5Å; A202-I283 HydrophobicContact CB-CD1 3.88Å; A202-I283 HydrophobicContact CB-CG1 3.68Å; A202-M286 HydrophobicContact CB-CE 4.22Å; A202-W351 HydrophobicContact CB-CH2 4.45Å; A202-W351 HydrophobicContact CB-CZ3 4.23Å; A202-F352 HydrophobicContact CB-CE1 4.18Å; A202-F352 HydrophobicContact CB-CZ 3.93Å
203	S	98.8	Very high	98.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-37.9	178.8	64.3	0	0	0	0	111.9	R199 F200 Y201 V206 L207	R199-S203 WeakPolarHBondContact O-CB 3.31Å; R199-S203 PolarHBondContact O-N 2.81Å; R199-S203 PolarHBondContact O-OG 3.45Å; F200-S203 PolarHBondContact O-OG 3.15Å; Y201-S203 VanDerWaalsContact C-N 3.32Å; Y201-S203 PolarHBondContact O-N 3.24Å; S203-V206 PolarHBondContact O-N 2.91Å; S203-L207 WeakPolarHBondContact O-CG 3.47Å; S203-L207 PolarHBondContact O-N 3.01Å
204	Q	98.9	Very high	98.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-65.2	-42.5	175.5	-64.4	168.7	63.8	0	0	111.7	F157 F200 Y201 A202 L207 A208 Y234 L235 V360	F157-Q204 HydrophobicContact CB-CB 4.47Å; F157-Q204 HydrophobicContact CD1-CB 4.26Å; F157-Q204 HydrophobicContact CD1-CG 4.14Å; F157-Q204 HydrophobicContact CD2-CB 3.78Å; F157-Q204 HydrophobicContact CD2-CG 4.16Å; F157-Q204 WeakPolarHBondContact CD2-O 3.25Å; F157-Q204 HydrophobicContact CE1-CG 4.04Å; F157-Q204 HydrophobicContact CE2-CB 4.13Å; F157-Q204 HydrophobicContact CE2-CG 4.05Å; F157-Q204 HydrophobicContact CG-CB 3.89Å; F157-Q204 HydrophobicContact CG-CG 4.23Å; F157-Q204 HydrophobicContact CZ-CG 4Å; F200-Q204 VanDerWaalsContact CD1-NE2 3.35Å; F200-Q204 PolarHBondContact O-NE2 3.02Å; Y201-Q204 PolarHBondContact O-N 3.31Å; A202-Q204 VanDerWaalsContact C-N 3.29Å; A202-Q204 PolarHBondContact O-N 2.88Å; Q204-L207 PolarHBondContact O-N 3.02Å; Q204-A208 WeakPolarHBondContact O-CB 3.48Å; Q204-A208 PolarHBondContact O-N 3.19Å; Q204-Y234 HydrophobicContact CG-CD1 4.23Å; Q204-Y234 VanDerWaalsContact OE1-CD1 3.32Å; Q204-L235 HydrophobicContact CB-CD1 4.39Å; Q204-V360 HydrophobicContact CG-CG1 3.78Å
205	V	98.9	Very high	98.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-66.4	-38.2	176.3	-179	0	0	0	0	111.4	Y201 A202 A208 F209 L222 L227 L235 L279 L282	Y201-V205 PolarHBondContact O-N 3.08Å; A202-V205 PolarHBondContact O-N 3.12Å; V205-A208 PolarHBondContact O-N 2.6Å; V205-F209 HydrophobicContact CG1-CD2 4.06Å; V205-F209 HydrophobicContact CG1-CE1 4.31Å; V205-F209 HydrophobicContact CG1-CE2 3.78Å; V205-F209 HydrophobicContact CG1-CG 4.45Å; V205-F209 HydrophobicContact CG1-CZ 3.94Å; V205-F209 WeakPolarHBondContact O-CB 3.49Å; V205-F209 WeakPolarHBondContact O-CG 3.32Å; V205-F209 PolarHBondContact O-N 3.35Å; V205-L222 HydrophobicContact CG1-CD1 3.88Å; V205-L222 HydrophobicContact CG1-CD2 4Å; V205-L227 HydrophobicContact CG2-CD1 4.32Å; V205-L227 HydrophobicContact CG2-CD2 4.3Å; V205-L235 HydrophobicContact CG2-CD1 4.1Å; V205-L279 HydrophobicContact CB-CD1 4.06Å; V205-L279 HydrophobicContact CG1-CD1 3.86Å; V205-L282 HydrophobicContact CG2-CD2 4.01Å
206	V	98.9	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.2	-49.6	173.8	168.3	0	0	0	0	110.6	A202 S203 A208 F209 E210 W276 L279 V343 I346 K347 F352 W357	A202-V206 WeakPolarHBondContact O-CG2 3.48Å; A202-V206 PolarHBondContact O-N 2.95Å; S203-V206 PolarHBondContact O-N 2.91Å; V206-A208 PolarHBondContact O-N 2.75Å; V206-F209 PolarHBondContact O-N 3.35Å; V206-E210 WeakPolarHBondContact O-CB 3.41Å; V206-E210 PolarHBondContact O-N 3.01Å; V206-W276 HydrophobicContact CG1-CZ3 4.48Å; V206-W276 HydrophobicContact CG2-CZ3 4.36Å; V206-L279 HydrophobicContact CG2-CD2 3.56Å; V206-V343 HydrophobicContact CG1-CG2 3.81Å; V206-I346 HydrophobicContact CG2-CG2 3.92Å; V206-K347 HydrophobicContact CG1-CD 4.41Å; V206-K347 HydrophobicContact CG1-CG 3.91Å; V206-F352 HydrophobicContact CG2-CZ 4.15Å; V206-W357 HydrophobicContact CB-CH2 4.15Å; V206-W357 HydrophobicContact CB-CZ3 3.92Å; V206-W357 HydrophobicContact CG1-CH2 3.89Å; V206-W357 HydrophobicContact CG1-CZ3 3.76Å; V206-W357 HydrophobicContact CG2-CH2 4.45Å
207	L	98.8	Very high	98.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.4	-38.7	178.8	-67.9	177.4	0	0	0	112.3	F70 F155 F157 S203 Q204 E210 Y211 W357 V360	F70-L207 HydrophobicContact CD1-CD2 4.42Å; F70-L207 HydrophobicContact CD2-CD2 4.1Å; F70-L207 HydrophobicContact CE1-CD2 4.09Å; F70-L207 HydrophobicContact CE2-CD2 3.79Å; F70-L207 HydrophobicContact CG-CD2 4.42Å; F70-L207 HydrophobicContact CZ-CB 4.27Å; F70-L207 HydrophobicContact CZ-CD2 3.78Å; F155-L207 HydrophobicContact CE1-CB 4.06Å; F155-L207 HydrophobicContact CZ-CB 3.93Å; F157-L207 HydrophobicContact CD2-CB 4.35Å; F157-L207 HydrophobicContact CE2-CB 4.24Å; F157-L207 HydrophobicContact CE2-CD1 3.91Å; S203-L207 WeakPolarHBondContact O-CG 3.47Å; S203-L207 PolarHBondContact O-N 3.01Å; Q204-L207 PolarHBondContact O-N 3.02Å; L207-E210 PolarHBondContact O-N 3.14Å; L207-Y211 WeakPolarHBondContact O-CB 3.41Å; L207-Y211 PolarHBondContact O-N 2.76Å; L207-W357 HydrophobicContact CD1-CE3 4.2Å; L207-W357 HydrophobicContact CD2-CE3 3.78Å; L207-W357 HydrophobicContact CD2-CZ3 4.4Å; L207-W357 HydrophobicContact CG-CE3 3.85Å; L207-W357 HydrophobicContact CG-CZ3 4.2Å; L207-V360 HydrophobicContact CD1-CB 4.1Å; L207-V360 HydrophobicContact CD1-CG1 3.72Å
208	A	98.8	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.9	-43.1	175.1	0	0	0	0	0	112.1	F155 L158 Q204 V205 V206 L212 V237	F155-A208 HydrophobicContact CD1-CB 4.46Å; F155-A208 HydrophobicContact CE1-CB 4.41Å; L158-A208 HydrophobicContact CD2-CB 3.77Å; Q204-A208 WeakPolarHBondContact O-CB 3.48Å; Q204-A208 PolarHBondContact O-N 3.19Å; V205-A208 PolarHBondContact O-N 2.6Å; V206-A208 PolarHBondContact O-N 2.75Å; A208-L212 VanDerWaalsContact O-CG 3.31Å; A208-L212 WeakPolarHBondContact O-CG 3.28Å; A208-L212 PolarHBondContact O-N 3Å; A208-V237 HydrophobicContact CB-CG2 4.33Å
209	F	98.8	Very high	98.3	Very high	1 Å²	1	9.6 Å²	9.6	0%	0.004	5%	0.05	C	C	.	.	H	α-helix	trans	-70.2	-40	175.4	-73.9	-10.7	0	0	0	112.8	V205 V206 Y211 L212 H213 Y219 L222 D275 W276 L279	V205-F209 HydrophobicContact CG1-CD2 4.06Å; V205-F209 HydrophobicContact CG1-CE1 4.31Å; V205-F209 HydrophobicContact CG1-CE2 3.78Å; V205-F209 HydrophobicContact CG1-CG 4.45Å; V205-F209 HydrophobicContact CG1-CZ 3.94Å; V205-F209 WeakPolarHBondContact O-CB 3.49Å; V205-F209 WeakPolarHBondContact O-CG 3.32Å; V205-F209 PolarHBondContact O-N 3.35Å; V206-F209 PolarHBondContact O-N 3.35Å; F209-Y211 VanDerWaalsContact C-N 3.28Å; F209-Y211 PolarHBondContact O-N 3.19Å; F209-L212 PolarHBondContact O-N 2.89Å; F209-H213 WeakPolarHBondContact O-CB 3.4Å; F209-H213 PolarHBondContact O-CD2 2.94Å; F209-H213 VanDerWaalsContact O-CD2 3.31Å; F209-H213 PolarHBondContact O-N 3.44Å; F209-Y219 AromaticContact CE1-CD1 3.97Å; F209-Y219 HydrophobicContact CE1-CD1 3.97Å; F209-Y219 HydrophobicContact CE1-CG 4.23Å; F209-Y219 HydrophobicContact CZ-CD1 4.35Å; F209-L222 HydrophobicContact CE2-CD2 3.91Å; F209-L222 HydrophobicContact CZ-CB 4.02Å; F209-L222 HydrophobicContact CZ-CD1 3.99Å; F209-L222 HydrophobicContact CZ-CD2 3.76Å; F209-L222 HydrophobicContact CZ-CG 4.14Å; F209-D275 HydrophobicContact CD2-CB 3.96Å; F209-D275 HydrophobicContact CE1-CB 4.3Å; F209-D275 HydrophobicContact CE2-CB 3.7Å; F209-D275 VanDerWaalsContact CE2-O 3.26Å; F209-D275 WeakPolarHBondContact CE2-O 3.26Å; F209-D275 HydrophobicContact CG-CB 4.37Å; F209-D275 HydrophobicContact CZ-CB 3.85Å; F209-W276 HydrophobicContact CB-CH2 3.56Å; F209-W276 HydrophobicContact CB-CZ2 4.04Å; F209-W276 HydrophobicContact CB-CZ3 3.89Å; F209-W276 HydrophobicContact CD2-CE3 4.03Å; F209-W276 HydrophobicContact CD2-CH2 4.42Å; F209-W276 AromaticContact CD2-CZ3 3.92Å; F209-W276 HydrophobicContact CD2-CZ3 3.92Å; F209-W276 HydrophobicContact CG-CZ3 4.45Å; F209-L279 HydrophobicContact CE2-CB 4.2Å
210	E	98.6	Very high	98.3	Very high	21 Å²	21	8.3 Å²	8.3	10%	0.098	5%	0.045	C	C	.	.	H	α-helix	trans	-56.1	-46.4	174.2	-170.2	175.9	-175.9	0	0	111.1	F70 L74 V206 L207 S214 V343 K347	F70-E210 HydrophobicContact CD1-CG 4.1Å; F70-E210 VanDerWaalsContact CD1-OE1 3.3Å; F70-E210 WeakPolarHBondContact CD1-OE1 3.28Å; F70-E210 WeakPolarHBondContact CD1-OE2 3.39Å; F70-E210 HydrophobicContact CE1-CB 4.06Å; F70-E210 HydrophobicContact CE1-CG 3.73Å; F70-E210 WeakPolarHBondContact CE1-OE2 3.29Å; L74-E210 HydrophobicContact CD1-CG 3.87Å; V206-E210 WeakPolarHBondContact O-CB 3.41Å; V206-E210 PolarHBondContact O-N 3.01Å; L207-E210 PolarHBondContact O-N 3.14Å; E210-S214 WeakPolarHBondContact O-CB 3.43Å; E210-S214 PolarHBondContact O-N 2.98Å; E210-S214 VanDerWaalsContact O-N 3.09Å; E210-V343 HydrophobicContact CB-CG2 4.26Å; E210-V343 HydrophobicContact CG-CB 4.43Å; E210-V343 HydrophobicContact CG-CG1 3.88Å; E210-V343 HydrophobicContact CG-CG2 4.31Å; E210-K347 IonicContact OE1-NZ 2.83Å; E210-K347 PolarHBondContact OE1-NZ 2.85Å; E210-K347 WeakPolarHBondContact OE2-CD 3.19Å; E210-K347 WeakPolarHBondContact OE2-CE 3.22Å; E210-K347 IonicContact OE2-NZ 3.81Å; E210-K347 PolarHBondContact OE2-NZ 3Å
211	Y	98.7	Very high	98.2	Very high	1 Å²	1	7.7 Å²	7.7	0%	0.004	4%	0.042	C	C	.	.	H	α-helix	trans	-58.8	-56.2	173.6	178.6	-94.8	0	0	0	112.2	Y73 L74 E77 I153 N154 F155 L158 L207 F209 H213 S214 F215	Y73-Y211 HydrophobicContact CE1-CD2 4.14Å; Y73-Y211 HydrophobicContact CE1-CE2 4.44Å; L74-Y211 HydrophobicContact CD2-CD2 3.9Å; L74-Y211 HydrophobicContact CD2-CG 4.49Å; E77-Y211 HydrophobicContact CB-CE2 4.03Å; E77-Y211 HydrophobicContact CG-CE2 4.07Å; I153-Y211 HydrophobicContact CB-CE1 3.98Å; I153-Y211 HydrophobicContact CG2-CE1 4.13Å; N154-Y211 PolarHBondContact N-OH 2.97Å; N154-Y211 PolarHBondContact O-OH 3.46Å; N154-Y211 VanDerWaalsContact O-OH 3.04Å; F155-Y211 HydrophobicContact CB-CD1 3.79Å; F155-Y211 HydrophobicContact CB-CD2 4.23Å; F155-Y211 HydrophobicContact CB-CE1 3.75Å; F155-Y211 HydrophobicContact CB-CE2 4.17Å; F155-Y211 HydrophobicContact CB-CG 4.02Å; F155-Y211 HydrophobicContact CD1-CG 4.39Å; F155-Y211 HydrophobicContact CD2-CD1 4.19Å; F155-Y211 AromaticContact CD2-CD2 3.3Å; F155-Y211 HydrophobicContact CD2-CD2 3.3Å; F155-Y211 AromaticContact CD2-CE2 3.75Å; F155-Y211 HydrophobicContact CD2-CE2 3.75Å; F155-Y211 AromaticContact CD2-CG 3.53Å; F155-Y211 HydrophobicContact CD2-CG 3.53Å; F155-Y211 AromaticContact CE2-CD2 3.86Å; F155-Y211 HydrophobicContact CE2-CD2 3.86Å; F155-Y211 HydrophobicContact CE2-CG 4.09Å; F155-Y211 AromaticContact CG-CD1 3.96Å; F155-Y211 HydrophobicContact CG-CD1 3.96Å; F155-Y211 AromaticContact CG-CD2 3.93Å; F155-Y211 HydrophobicContact CG-CD2 3.93Å; F155-Y211 HydrophobicContact CG-CE1 4.36Å; F155-Y211 HydrophobicContact CG-CE2 4.31Å; F155-Y211 AromaticContact CG-CG 3.72Å; F155-Y211 HydrophobicContact CG-CG 3.72Å; L158-Y211 HydrophobicContact CD1-CD1 3.78Å; L158-Y211 HydrophobicContact CD1-CE1 3.99Å; L207-Y211 WeakPolarHBondContact O-CB 3.41Å; L207-Y211 PolarHBondContact O-N 2.76Å; F209-Y211 VanDerWaalsContact C-N 3.28Å; F209-Y211 PolarHBondContact O-N 3.19Å; Y211-H213 PolarHBondContact O-N 3.48Å; Y211-S214 PolarHBondContact O-N 3.05Å; Y211-S214 PolarHBondContact O-OG 2.79Å; Y211-F215 HydrophobicContact CD1-CE2 4.04Å; Y211-F215 HydrophobicContact CD2-CE2 4.09Å; Y211-F215 HydrophobicContact CD2-CZ 4.07Å; Y211-F215 HydrophobicContact CE1-CD2 4.28Å; Y211-F215 AromaticContact CE1-CE2 3.55Å; Y211-F215 HydrophobicContact CE1-CE2 3.55Å; Y211-F215 HydrophobicContact CE1-CZ 4.42Å; Y211-F215 AromaticContact CE2-CE2 3.64Å; Y211-F215 HydrophobicContact CE2-CE2 3.64Å; Y211-F215 AromaticContact CE2-CZ 3.69Å; Y211-F215 HydrophobicContact CE2-CZ 3.69Å; Y211-F215 HydrophobicContact CG-CE2 4.3Å; Y211-F215 AromaticContact CZ-CE2 3.36Å; Y211-F215 AromaticContact CZ-CZ 3.89Å
212	L	98.4	Very high	98.2	Very high	3 Å²	3	7.8 Å²	7.8	2%	0.016	4%	0.043	C	C	.	.	H	α-helix	trans	-60.2	-44.9	-179	-70	174.9	0	0	0	112.4	I153 L158 A208 F209 S214 F215 L217 F240	I153-L212 HydrophobicContact CG2-CD2 4.11Å; L158-L212 HydrophobicContact CD1-CD1 4.43Å; L158-L212 HydrophobicContact CD1-CD2 3.8Å; L158-L212 HydrophobicContact CD1-CG 4.04Å; L158-L212 HydrophobicContact CD2-CD1 4.4Å; A208-L212 VanDerWaalsContact O-CG 3.31Å; A208-L212 WeakPolarHBondContact O-CG 3.28Å; A208-L212 PolarHBondContact O-N 3Å; F209-L212 PolarHBondContact O-N 2.89Å; L212-S214 VanDerWaalsContact C-N 3.27Å; L212-S214 PolarHBondContact O-N 3.02Å; L212-F215 PolarHBondContact O-N 3.38Å; L212-L217 CarbonylContact C-O 3.51Å; L212-L217 HydrophobicContact CB-CB 4.1Å; L212-L217 HydrophobicContact CD2-CB 4.24Å; L212-L217 HydrophobicContact CD2-CD1 3.8Å; L212-L217 VanDerWaalsContact O-CB 3.32Å; L212-L217 WeakPolarHBondContact O-CB 3.38Å; L212-L217 PolarHBondContact O-N 2.88Å; L212-F240 HydrophobicContact CD1-CE1 4.13Å; L212-F240 HydrophobicContact CD2-CE1 4.05Å
213	H	97.9	Very high	98.2	Very high	13 Å²	13	9.3 Å²	9.3	6%	0.06	5%	0.05	C	C	.	.	H	α-helix	trans	-69.3	-25.9	-175.7	-71.7	-166	0	0	0	112.7	F209 Y211 F215 D216 L217 K272 D275 W276	F209-H213 WeakPolarHBondContact O-CB 3.4Å; F209-H213 PolarHBondContact O-CD2 2.94Å; F209-H213 VanDerWaalsContact O-CD2 3.31Å; F209-H213 PolarHBondContact O-N 3.44Å; Y211-H213 PolarHBondContact O-N 3.48Å; H213-F215 PolarHBondContact O-N 2.96Å; H213-D216 PolarHBondContact O-N 3.35Å; H213-L217 PolarHBondContact CD2-O 3Å; H213-K272 HydrophobicContact CB-CD 3.98Å; H213-K272 VanDerWaalsContact CE1-CB 3.49Å; H213-K272 WeakPolarHBondContact CE1-CB 3.2Å; H213-K272 PolarHBondContact CE1-O 2.73Å; H213-K272 VanDerWaalsContact CE1-O 3.32Å; H213-K272 WeakPolarHBondContact ND1-CB 3.49Å; H213-K272 PolarHBondContact O-NZ 3.01Å; H213-D275 IonicContact CD2-OD2 3.13Å; H213-D275 IonicContact CE1-OD2 2.71Å; H213-D275 IonicContact NE2-OD2 2.73Å; H213-D275 PolarHBondContact NE2-OD2 3.33Å; H213-W276 AromaticContact CE1-CE2 3.75Å; H213-W276 AromaticContact CE1-NE1 3.51Å; H213-W276 AromaticContact ND1-CE2 3.7Å; H213-W276 AromaticContact ND1-CZ2 3.75Å; H213-W276 AromaticContact ND1-NE1 3.39Å; H213-W276 PolarHBondContact ND1-NE1 3.3Å
214	S	97.1	Very high	98.1	Very high	47 Å²	47	9.3 Å²	9.3	33%	0.329	5%	0.05	S	C	.	.	H	α-helix	trans	-64.2	-21.8	172	77.1	0	0	0	0	112.9	E210 Y211 L212	E210-S214 WeakPolarHBondContact O-CB 3.43Å; E210-S214 PolarHBondContact O-N 2.98Å; E210-S214 VanDerWaalsContact O-N 3.09Å; Y211-S214 PolarHBondContact O-N 3.05Å; Y211-S214 PolarHBondContact O-OG 2.79Å; L212-S214 VanDerWaalsContact C-N 3.27Å; L212-S214 PolarHBondContact O-N 3.02Å
215	F	96.7	Very high	97.9	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.018	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	15.4	176.6	-50.9	-28.7	0	0	0	113.2	E77 S78 F81 Y211 L212 H213 L217 K245	E77-F215 HydrophobicContact CB-CZ 3.87Å; S78-F215 VanDerWaalsContact CA-CE1 3.4Å; F81-F215 HydrophobicContact CB-CD1 4.24Å; F81-F215 HydrophobicContact CB-CD2 4Å; F81-F215 HydrophobicContact CB-CE1 4.21Å; F81-F215 HydrophobicContact CB-CE2 3.89Å; F81-F215 HydrophobicContact CB-CG 4.18Å; F81-F215 HydrophobicContact CB-CZ 4.04Å; F81-F215 HydrophobicContact CD1-CB 3.74Å; F81-F215 HydrophobicContact CD1-CD1 4.14Å; F81-F215 HydrophobicContact CD1-CD2 4.03Å; F81-F215 AromaticContact CD1-CG 3.7Å; F81-F215 HydrophobicContact CD1-CG 3.7Å; F81-F215 HydrophobicContact CD2-CB 4.38Å; F81-F215 AromaticContact CD2-CD2 3.47Å; F81-F215 HydrophobicContact CD2-CD2 3.47Å; F81-F215 VanDerWaalsContact CD2-CD2 3.47Å; F81-F215 AromaticContact CD2-CE2 3.93Å; F81-F215 HydrophobicContact CD2-CE2 3.93Å; F81-F215 HydrophobicContact CD2-CG 4.02Å; F81-F215 HydrophobicContact CE1-CB 3.59Å; F81-F215 HydrophobicContact CE1-CD2 4.42Å; F81-F215 HydrophobicContact CE1-CG 4.06Å; F81-F215 HydrophobicContact CE2-CB 4.27Å; F81-F215 AromaticContact CE2-CD2 3.93Å; F81-F215 HydrophobicContact CE2-CD2 3.93Å; F81-F215 HydrophobicContact CE2-CG 4.38Å; F81-F215 HydrophobicContact CG-CB 4.14Å; F81-F215 HydrophobicContact CG-CD1 4.17Å; F81-F215 AromaticContact CG-CD2 3.54Å; F81-F215 HydrophobicContact CG-CD2 3.54Å; F81-F215 AromaticContact CG-CE2 3.94Å; F81-F215 HydrophobicContact CG-CE2 3.94Å; F81-F215 AromaticContact CG-CG 3.68Å; F81-F215 HydrophobicContact CG-CG 3.68Å; F81-F215 HydrophobicContact CG-CZ 4.47Å; F81-F215 HydrophobicContact CZ-CB 3.88Å; F81-F215 HydrophobicContact CZ-CD2 4.38Å; F81-F215 HydrophobicContact CZ-CG 4.4Å; Y211-F215 HydrophobicContact CD1-CE2 4.04Å; Y211-F215 HydrophobicContact CD2-CE2 4.09Å; Y211-F215 HydrophobicContact CD2-CZ 4.07Å; Y211-F215 HydrophobicContact CE1-CD2 4.28Å; Y211-F215 AromaticContact CE1-CE2 3.55Å; Y211-F215 HydrophobicContact CE1-CE2 3.55Å; Y211-F215 HydrophobicContact CE1-CZ 4.42Å; Y211-F215 AromaticContact CE2-CE2 3.64Å; Y211-F215 HydrophobicContact CE2-CE2 3.64Å; Y211-F215 AromaticContact CE2-CZ 3.69Å; Y211-F215 HydrophobicContact CE2-CZ 3.69Å; Y211-F215 HydrophobicContact CG-CE2 4.3Å; Y211-F215 AromaticContact CZ-CE2 3.36Å; Y211-F215 AromaticContact CZ-CZ 3.89Å; L212-F215 PolarHBondContact O-N 3.38Å; H213-F215 PolarHBondContact O-N 2.96Å; F215-L217 HydrophobicContact CB-CD1 4.28Å; F215-L217 HydrophobicContact CB-CG 4.17Å; F215-L217 HydrophobicContact CD2-CD1 4.43Å; F215-L217 PolarHBondContact O-N 3.17Å; F215-K245 WeakPolarHBondContact O-CE 3.39Å
216	D	97.1	Very high	97.8	Very high	47 Å²	47	12.8 Å²	12.8	25%	0.251	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	24.1	-173.1	-67	-39	0	0	0	113.4	H213 K245 I246 K272	H213-D216 PolarHBondContact O-N 3.35Å; D216-K245 HydrophobicContact CB-CG 4.36Å; D216-K245 CarbonylContact O-C 3.58Å; D216-K245 VanDerWaalsContact O-CA 3.31Å; D216-K245 WeakPolarHBondContact O-CA 3.35Å; D216-I246 WeakPolarHBondContact CB-O 3.43Å; D216-I246 PolarHBondContact O-N 3.27Å; D216-K272 IonicContact OD1-NZ 2.68Å; D216-K272 PolarHBondContact OD1-NZ 3.01Å
217	L	98	Very high	97.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134	172.4	-61.4	172.8	0	0	0	109.9	F81 I149 I153 L212 H213 F215 K244 K245	F81-L217 HydrophobicContact CE2-CD1 3.77Å; F81-L217 HydrophobicContact CZ-CD1 3.92Å; F81-L217 HydrophobicContact CZ-CD2 4.37Å; F81-L217 HydrophobicContact CZ-CG 4.23Å; I149-L217 HydrophobicContact CD1-CD2 3.93Å; I149-L217 HydrophobicContact CG1-CD2 3.81Å; I149-L217 HydrophobicContact CG2-CD1 4Å; I149-L217 HydrophobicContact CG2-CD2 4.48Å; I153-L217 HydrophobicContact CG2-CD1 3.76Å; L212-L217 CarbonylContact C-O 3.51Å; L212-L217 HydrophobicContact CB-CB 4.1Å; L212-L217 HydrophobicContact CD2-CB 4.24Å; L212-L217 HydrophobicContact CD2-CD1 3.8Å; L212-L217 VanDerWaalsContact O-CB 3.32Å; L212-L217 WeakPolarHBondContact O-CB 3.38Å; L212-L217 PolarHBondContact O-N 2.88Å; H213-L217 PolarHBondContact CD2-O 3Å; F215-L217 HydrophobicContact CB-CD1 4.28Å; F215-L217 HydrophobicContact CB-CG 4.17Å; F215-L217 HydrophobicContact CD2-CD1 4.43Å; F215-L217 PolarHBondContact O-N 3.17Å; L217-K244 WeakPolarHBondContact CA-O 3.34Å; L217-K245 HydrophobicContact CD2-CB 3.73Å; L217-K245 HydrophobicContact CD2-CG 4.16Å
218	I	97.7	Very high	97.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.3	167	60.3	178.1	0	0	0	109.2	R220 A243 K244 I246 T250 Y270 K272 D275	I218-R220 HydrophobicContact CB-CG 4.19Å; I218-R220 VanDerWaalsContact CD1-CD 3.49Å; I218-R220 HydrophobicContact CD1-CG 3.82Å; I218-R220 HydrophobicContact CG1-CG 3.85Å; I218-A243 CarbonylContact O-C 3.6Å; I218-A243 WeakPolarHBondContact O-CA 3.37Å; I218-K244 HydrophobicContact CG1-CB 4.27Å; I218-K244 WeakPolarHBondContact CG1-O 3.45Å; I218-K244 PolarHBondContact N-O 2.93Å; I218-K244 PolarHBondContact O-N 3.46Å; I218-I246 HydrophobicContact CB-CG1 4.48Å; I218-I246 HydrophobicContact CD1-CD1 3.78Å; I218-I246 HydrophobicContact CD1-CG1 3.83Å; I218-I246 HydrophobicContact CD1-CG2 4.19Å; I218-I246 HydrophobicContact CG1-CD1 4.38Å; I218-I246 HydrophobicContact CG1-CG1 4Å; I218-I246 HydrophobicContact CG2-CD1 3.7Å; I218-I246 HydrophobicContact CG2-CG1 3.73Å; I218-T250 HydrophobicContact CD1-CG2 3.82Å; I218-Y270 HydrophobicContact CD1-CE2 4.25Å; I218-K272 HydrophobicContact CG2-CB 3.83Å; I218-K272 HydrophobicContact CG2-CG 4.38Å; I218-D275 WeakPolarHBondContact CA-OD2 3.46Å
219	Y	98.1	Very high	97.7	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	7%	0.072	C	C	.	.			trans	-91.4	-49.5	-173.3	178.3	-115.3	0	0	0	112.9	F209 D221 L222 N226 V237 T238 D239 F240 F242 A243 D275	F209-Y219 AromaticContact CE1-CD1 3.97Å; F209-Y219 HydrophobicContact CE1-CD1 3.97Å; F209-Y219 HydrophobicContact CE1-CG 4.23Å; F209-Y219 HydrophobicContact CZ-CD1 4.35Å; Y219-D221 VanDerWaalsContact C-N 3.31Å; Y219-D221 WeakPolarHBondContact CE1-O 3.4Å; Y219-D221 PolarHBondContact O-N 2.85Å; Y219-L222 HydrophobicContact CD1-CB 4.16Å; Y219-L222 HydrophobicContact CE1-CB 4.16Å; Y219-L222 HydrophobicContact CE1-CD1 4.45Å; Y219-L222 VanDerWaalsContact CE1-N 3.34Å; Y219-N226 VanDerWaalsContact OH-CB 3.28Å; Y219-N226 WeakPolarHBondContact OH-CB 3.23Å; Y219-N226 PolarHBondContact OH-ND2 3.06Å; Y219-V237 HydrophobicContact CD2-CG1 4.34Å; Y219-V237 HydrophobicContact CE1-CG1 3.98Å; Y219-V237 HydrophobicContact CE2-CG1 3.71Å; Y219-T238 PolarHBondContact OH-O 3.13Å; Y219-D239 VanDerWaalsContact CE2-O 3.29Å; Y219-D239 WeakPolarHBondContact CE2-O 3.33Å; Y219-D239 PolarHBondContact OH-O 3.37Å; Y219-F240 HydrophobicContact CD2-CD1 4.18Å; Y219-F240 HydrophobicContact CD2-CE1 4.19Å; Y219-F240 HydrophobicContact CE2-CD1 4.4Å; Y219-F240 HydrophobicContact CE2-CD2 4.43Å; Y219-F240 HydrophobicContact CE2-CE1 4.5Å; Y219-F240 HydrophobicContact CE2-CG 4.38Å; Y219-F242 CarbonylContact O-C 3.48Å; Y219-A243 PolarHBondContact O-N 2.76Å; Y219-D275 PolarHBondContact N-OD1 3.11Å; Y219-D275 PolarHBondContact N-OD2 3.1Å
220	R	97.6	Very high	97.6	Very high	13 Å²	13	14.4 Å²	14.4	5%	0.049	8%	0.076	C	C	.	.			trans	67.6	0.5	171.1	-53.4	-170.9	-71.5	173.8	4.7	118.8	I218 F242 C254 Y270 V274 D275	I218-R220 HydrophobicContact CB-CG 4.19Å; I218-R220 VanDerWaalsContact CD1-CD 3.49Å; I218-R220 HydrophobicContact CD1-CG 3.82Å; I218-R220 HydrophobicContact CG1-CG 3.85Å; R220-F242 HydrophobicContact CB-CB 4.21Å; R220-F242 PolarHBondContact NE-O 3.36Å; R220-F242 PolarHBondContact NH2-O 3.19Å; R220-C254 VanDerWaalsContact CZ-SG 3.54Å; R220-Y270 WeakPolarHBondContact CD-OH 3.34Å; R220-Y270 PolarHBondContact NH1-OH 3.46Å; R220-V274 HydrophobicContact CG-CG2 4.34Å; R220-D275 PolarHBondContact N-OD1 3.17Å
221	D	97.2	Very high	97.4	Very high	7 Å²	7	17.1 Å²	17.1	4%	0.037	10%	0.097	C	C	.	.			trans	-133.7	40.9	175.2	-151.3	30.5	0	0	0	113.5	Y219 K223 N226 F242 T256	Y219-D221 VanDerWaalsContact C-N 3.31Å; Y219-D221 WeakPolarHBondContact CE1-O 3.4Å; Y219-D221 PolarHBondContact O-N 2.85Å; D221-K223 PolarHBondContact O-N 2.96Å; D221-K223 IonicContact OD1-NZ 2.97Å; D221-K223 PolarHBondContact OD1-NZ 3.38Å; D221-K223 VanDerWaalsContact OD2-CE 3.26Å; D221-K223 WeakPolarHBondContact OD2-CE 3.42Å; D221-K223 IonicContact OD2-NZ 3.62Å; D221-K223 PolarHBondContact OD2-NZ 2.74Å; D221-N226 PolarHBondContact O-ND2 2.92Å; D221-N226 PolarHBondContact OD2-ND2 3.25Å; D221-F242 HydrophobicContact CB-CD2 3.75Å; D221-F242 HydrophobicContact CB-CE2 4.49Å; D221-T256 PolarHBondContact OD1-OG1 3.31Å; D221-T256 VanDerWaalsContact OD1-OG1 3.08Å
222	L	98.5	Very high	97.3	Very high	2 Å²	2	20 Å²	20	1%	0.01	11%	0.113	C	C	.	.			trans	-68.1	125.9	174.9	-172.2	75.2	0	0	0	110.2	V205 F209 Y219 L227 Y259 A278 L279 L282	V205-L222 HydrophobicContact CG1-CD1 3.88Å; V205-L222 HydrophobicContact CG1-CD2 4Å; F209-L222 HydrophobicContact CE2-CD2 3.91Å; F209-L222 HydrophobicContact CZ-CB 4.02Å; F209-L222 HydrophobicContact CZ-CD1 3.99Å; F209-L222 HydrophobicContact CZ-CD2 3.76Å; F209-L222 HydrophobicContact CZ-CG 4.14Å; Y219-L222 HydrophobicContact CD1-CB 4.16Å; Y219-L222 HydrophobicContact CE1-CB 4.16Å; Y219-L222 HydrophobicContact CE1-CD1 4.45Å; Y219-L222 VanDerWaalsContact CE1-N 3.34Å; L222-L227 HydrophobicContact CD1-CD1 4.29Å; L222-L227 HydrophobicContact CD1-CD2 4.08Å; L222-L227 HydrophobicContact CD1-CG 4.4Å; L222-Y259 WeakPolarHBondContact O-CD1 3.01Å; L222-Y259 WeakPolarHBondContact O-CE1 3.21Å; L222-A278 HydrophobicContact CB-CB 3.92Å; L222-A278 HydrophobicContact CD2-CB 4.16Å; L222-L279 HydrophobicContact CD2-CB 4.35Å; L222-L282 HydrophobicContact CD1-CD2 4.19Å; L222-L282 HydrophobicContact CD2-CB 4.03Å; L222-L282 HydrophobicContact CD2-CD2 3.83Å; L222-L282 HydrophobicContact CG-CD2 4.15Å
223	K	97.9	Very high	97.2	Very high	33 Å²	33	19.8 Å²	19.8	14%	0.143	11%	0.112	C	C	.	.	S	Bend	trans	-167	161.6	173.9	59.5	-176.1	160.2	-162.8	0	109.1	D221 E225 N226 T256 Y259	D221-K223 PolarHBondContact O-N 2.96Å; D221-K223 IonicContact OD1-NZ 2.97Å; D221-K223 PolarHBondContact OD1-NZ 3.38Å; D221-K223 VanDerWaalsContact OD2-CE 3.26Å; D221-K223 WeakPolarHBondContact OD2-CE 3.42Å; D221-K223 IonicContact OD2-NZ 3.62Å; D221-K223 PolarHBondContact OD2-NZ 2.74Å; K223-E225 VanDerWaalsContact CB-OE2 3.28Å; K223-E225 WeakPolarHBondContact CB-OE2 3.44Å; K223-E225 HydrophobicContact CD-CB 4.24Å; K223-E225 WeakPolarHBondContact CD-OE2 2.98Å; K223-E225 HydrophobicContact CG-CB 4.22Å; K223-E225 VanDerWaalsContact CG-OE2 3.28Å; K223-E225 WeakPolarHBondContact CG-OE2 3.26Å; K223-E225 PolarHBondContact O-N 2.78Å; K223-N226 VanDerWaalsContact CE-CG 3.44Å; K223-N226 WeakPolarHBondContact CE-ND2 3.29Å; K223-N226 WeakPolarHBondContact CE-OD1 3.37Å; K223-N226 HydrophobicContact CG-CB 4.14Å; K223-N226 PolarHBondContact O-N 3.26Å; K223-N226 VanDerWaalsContact O-N 3.09Å; K223-T256 HydrophobicContact CD-CG2 4.31Å; K223-T256 WeakPolarHBondContact CD-OG1 3.31Å; K223-T256 PolarHBondContact NZ-OG1 3.42Å; K223-Y259 HydrophobicContact CB-CD2 4.19Å; K223-Y259 HydrophobicContact CB-CE2 4.04Å
224	P	97.5	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-62.3	-24.8	-176.3	-22.3	35.5	0	0	0	113.8	M183 F184 L187 N226 L227 Y259 L282	M183-P224 HydrophobicContact CB-CB 4.46Å; M183-P224 HydrophobicContact CG-CB 4.39Å; M183-P224 PolarHBondContact N-O 2.98Å; M183-P224 HydrophobicContact SD-CB 4.46Å; F184-P224 HydrophobicContact CB-CB 3.85Å; F184-P224 HydrophobicContact CD2-CB 4.19Å; F184-P224 PolarHBondContact N-O 3.08Å; F184-P224 VanDerWaalsContact N-O 3.14Å; L187-P224 HydrophobicContact CD2-CG 4.48Å; P224-N226 VanDerWaalsContact C-N 3.33Å; P224-L227 PolarHBondContact O-N 3.48Å; P224-Y259 VanDerWaalsContact CD-OH 3.3Å; P224-Y259 WeakPolarHBondContact CD-OH 3.45Å; P224-L282 HydrophobicContact CG-CD1 3.91Å
225	E	95.4	Very high	97.3	Very high	62 Å²	62	17.2 Å²	17.2	29%	0.29	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	-68.9	-31.3	176.9	-59.4	90.7	147.5	0	0	112	F184 K223 L227	F184-E225 HydrophobicContact CB-CG 3.92Å; F184-E225 HydrophobicContact CD1-CG 4.47Å; F184-E225 HydrophobicContact CD2-CG 4Å; F184-E225 HydrophobicContact CG-CG 3.88Å; K223-E225 VanDerWaalsContact CB-OE2 3.28Å; K223-E225 WeakPolarHBondContact CB-OE2 3.44Å; K223-E225 HydrophobicContact CD-CB 4.24Å; K223-E225 WeakPolarHBondContact CD-OE2 2.98Å; K223-E225 HydrophobicContact CG-CB 4.22Å; K223-E225 VanDerWaalsContact CG-OE2 3.28Å; K223-E225 WeakPolarHBondContact CG-OE2 3.26Å; K223-E225 PolarHBondContact O-N 2.78Å; E225-L227 VanDerWaalsContact C-N 3.31Å
226	N	97.3	Very high	97.4	Very high	13 Å²	13	18.1 Å²	18.1	7%	0.07	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-91.8	10	178.9	-71.9	-4.8	0	0	0	113.1	Y219 D221 K223 P224 T238	Y219-N226 VanDerWaalsContact OH-CB 3.28Å; Y219-N226 WeakPolarHBondContact OH-CB 3.23Å; Y219-N226 PolarHBondContact OH-ND2 3.06Å; D221-N226 PolarHBondContact O-ND2 2.92Å; D221-N226 PolarHBondContact OD2-ND2 3.25Å; K223-N226 VanDerWaalsContact CE-CG 3.44Å; K223-N226 WeakPolarHBondContact CE-ND2 3.29Å; K223-N226 WeakPolarHBondContact CE-OD1 3.37Å; K223-N226 HydrophobicContact CG-CB 4.14Å; K223-N226 PolarHBondContact O-N 3.26Å; K223-N226 VanDerWaalsContact O-N 3.09Å; P224-N226 VanDerWaalsContact C-N 3.33Å; N226-T238 WeakPolarHBondContact O-CG2 3.44Å; N226-T238 PolarHBondContact O-N 2.82Å
227	L	98.4	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	106.9	174.9	-63.8	176.7	0	0	0	108.7	M183 V205 L222 P224 E225 L235 V237 L282	M183-L227 HydrophobicContact CB-CB 4.01Å; M183-L227 WeakPolarHBondContact CB-O 3.29Å; M183-L227 HydrophobicContact CE-CB 4.34Å; M183-L227 HydrophobicContact CE-CD1 3.9Å; M183-L227 PolarHBondContact N-O 3.33Å; M183-L227 HydrophobicContact SD-CD1 3.87Å; V205-L227 HydrophobicContact CG2-CD1 4.32Å; V205-L227 HydrophobicContact CG2-CD2 4.3Å; L222-L227 HydrophobicContact CD1-CD1 4.29Å; L222-L227 HydrophobicContact CD1-CD2 4.08Å; L222-L227 HydrophobicContact CD1-CG 4.4Å; P224-L227 PolarHBondContact O-N 3.48Å; E225-L227 VanDerWaalsContact C-N 3.31Å; L227-L235 HydrophobicContact CD1-CD1 4.44Å; L227-V237 HydrophobicContact CD2-CB 4.32Å; L227-V237 HydrophobicContact CD2-CG2 3.67Å; L227-L282 HydrophobicContact CD1-CD1 3.99Å; L227-L282 HydrophobicContact CD1-CD2 3.6Å; L227-L282 HydrophobicContact CD1-CG 4.44Å
228	L	97.6	Very high	97.4	Very high	22 Å²	22	17.2 Å²	17.2	12%	0.115	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	145.5	174.3	-57.7	178.2	0	0	0	109.9	V178 G181 E182 L235 K236 T238	V178-L228 HydrophobicContact CB-CB 3.96Å; V178-L228 HydrophobicContact CB-CD1 3.87Å; V178-L228 HydrophobicContact CG1-CB 3.66Å; V178-L228 HydrophobicContact CG2-CD1 4.2Å; G181-L228 CarbonylContact O-C 3.45Å; G181-L228 WeakPolarHBondContact O-CA 3.37Å; E182-L228 HydrophobicContact CG-CD2 3.9Å; L228-L235 CarbonylContact O-C 3.6Å; L228-L235 VanDerWaalsContact O-CA 3.31Å; L228-L235 WeakPolarHBondContact O-CA 3.46Å; L228-K236 HydrophobicContact CB-CB 4.43Å; L228-K236 PolarHBondContact N-O 3.16Å; L228-K236 PolarHBondContact O-N 2.68Å; L228-T238 HydrophobicContact CD1-CG2 4.07Å; L228-T238 HydrophobicContact CG-CG2 3.94Å
229	I	97.6	Very high	97.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.6	172.7	-55.2	179.3	0	0	0	107.6	V178 G180 G181 M183 Y186 L235 F369 P371	V178-I229 WeakPolarHBondContact CG1-O 3.28Å; G180-I229 CarbonylContact C-O 3.59Å; G180-I229 WeakPolarHBondContact CA-O 3.28Å; G180-I229 PolarHBondContact N-O 3.42Å; G181-I229 PolarHBondContact O-N 3.28Å; M183-I229 HydrophobicContact CB-CD1 4.41Å; M183-I229 HydrophobicContact CB-CG1 4.4Å; Y186-I229 HydrophobicContact CD1-CD1 3.72Å; Y186-I229 HydrophobicContact CG-CD1 4.24Å; I229-L235 HydrophobicContact CG1-CD2 4.03Å; I229-F369 HydrophobicContact CD1-CD1 4.05Å; I229-F369 HydrophobicContact CD1-CE1 4.32Å; I229-F369 HydrophobicContact CG2-CD1 4.44Å; I229-P371 HydrophobicContact CG2-CG 4.08Å
230	A	96.4	Very high	97.1	Very high	12 Å²	12	19.9 Å²	19.9	10%	0.099	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-77	168.5	174.7	0	0	0	0	0	111.3	V178 D232 G233 Y234 K236 P371	V178-A230 HydrophobicContact CG1-CB 3.92Å; A230-D232 VanDerWaalsContact CB-OD1 3.23Å; A230-D232 WeakPolarHBondContact CB-OD1 3.3Å; A230-D232 PolarHBondContact O-N 3.47Å; A230-G233 WeakPolarHBondContact O-CA 3.29Å; A230-G233 PolarHBondContact O-N 2.73Å; A230-Y234 PolarHBondContact N-O 3.25Å; A230-K236 HydrophobicContact CB-CG 4.49Å; A230-P371 WeakPolarHBondContact O-CD 3.42Å; A230-P371 VanDerWaalsContact O-CG 3.26Å; A230-P371 WeakPolarHBondContact O-CG 3.4Å
231	S	94.8	Very high	96.9	Very high	77 Å²	77	19.8 Å²	19.8	54%	0.538	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.1	-179.1	53.9	0	0	0	0	113.8	G233	S231-G233 VanDerWaalsContact C-N 3.25Å
232	D	95.8	Very high	96.7	Very high	61 Å²	61	22.2 Å²	22.2	33%	0.326	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.1	172.9	63	2.5	0	0	0	113	A230 Y234 K363 A367 L370	A230-D232 VanDerWaalsContact CB-OD1 3.23Å; A230-D232 WeakPolarHBondContact CB-OD1 3.3Å; A230-D232 PolarHBondContact O-N 3.47Å; D232-Y234 VanDerWaalsContact C-N 3.29Å; D232-Y234 HydrophobicContact CB-CD2 4.5Å; D232-Y234 PolarHBondContact O-N 2.69Å; D232-Y234 WeakPolarHBondContact OD1-CB 3.37Å; D232-Y234 PolarHBondContact OD1-N 3.23Å; D232-K363 IonicContact OD1-NZ 3.37Å; D232-K363 IonicContact OD2-NZ 2.76Å; D232-K363 PolarHBondContact OD2-NZ 3.15Å; D232-A367 WeakPolarHBondContact O-CB 3.46Å; D232-L370 VanDerWaalsContact C-CD2 3.45Å; D232-L370 WeakPolarHBondContact O-CD2 3.22Å
233	G	97.5	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	81.2	-1.1	-179.8	0	0	0	0	0	115.1	A230 S231 F369	A230-G233 WeakPolarHBondContact O-CA 3.29Å; A230-G233 PolarHBondContact O-N 2.73Å; S231-G233 VanDerWaalsContact C-N 3.25Å; G233-F369 WeakPolarHBondContact CA-O 3.36Å
234	Y	98.5	Very high	96.5	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.02	13%	0.125	C	C	.	.			trans	-83.5	161.3	174.8	-79	-101.5	0	0	0	111.9	F157 F200 Q204 A230 D232 K363 L365	F157-Y234 HydrophobicContact CD1-CD1 4.3Å; F157-Y234 AromaticContact CE1-CD1 3.57Å; F157-Y234 HydrophobicContact CE1-CD1 3.57Å; F157-Y234 HydrophobicContact CE1-CE1 4.17Å; F157-Y234 HydrophobicContact CE1-CG 4.48Å; F157-Y234 HydrophobicContact CZ-CD1 4.32Å; F200-Y234 AromaticContact CE2-CE1 3.89Å; F200-Y234 HydrophobicContact CE2-CE1 3.89Å; F200-Y234 HydrophobicContact CE2-CE2 4.31Å; F200-Y234 AromaticContact CE2-CZ 3.76Å; F200-Y234 AromaticContact CZ-CD1 3.96Å; F200-Y234 HydrophobicContact CZ-CD1 3.96Å; F200-Y234 HydrophobicContact CZ-CD2 4.13Å; F200-Y234 AromaticContact CZ-CE1 3.76Å; F200-Y234 HydrophobicContact CZ-CE1 3.76Å; F200-Y234 AromaticContact CZ-CE2 3.91Å; F200-Y234 HydrophobicContact CZ-CE2 3.91Å; F200-Y234 HydrophobicContact CZ-CG 4.15Å; F200-Y234 AromaticContact CZ-CZ 3.72Å; Q204-Y234 HydrophobicContact CG-CD1 4.23Å; Q204-Y234 VanDerWaalsContact OE1-CD1 3.32Å; A230-Y234 PolarHBondContact N-O 3.25Å; D232-Y234 VanDerWaalsContact C-N 3.29Å; D232-Y234 HydrophobicContact CB-CD2 4.5Å; D232-Y234 PolarHBondContact O-N 2.69Å; D232-Y234 WeakPolarHBondContact OD1-CB 3.37Å; D232-Y234 PolarHBondContact OD1-N 3.23Å; Y234-K363 HydrophobicContact CD1-CB 4.44Å; Y234-K363 HydrophobicContact CD1-CD 4.41Å; Y234-K363 HydrophobicContact CD1-CG 3.86Å; Y234-K363 HydrophobicContact CD2-CB 4.26Å; Y234-K363 HydrophobicContact CD2-CD 4.31Å; Y234-K363 HydrophobicContact CD2-CG 4.25Å; Y234-K363 HydrophobicContact CE1-CB 4.07Å; Y234-K363 HydrophobicContact CE1-CG 3.88Å; Y234-K363 HydrophobicContact CE2-CB 3.89Å; Y234-K363 HydrophobicContact CE2-CG 4.28Å; Y234-K363 HydrophobicContact CG-CD 4.14Å; Y234-K363 HydrophobicContact CG-CG 4.04Å; Y234-K363 VanDerWaalsContact CZ-CA 3.45Å; Y234-K363 VanDerWaalsContact OH-C 3.24Å; Y234-K363 VanDerWaalsContact OH-CA 3.28Å; Y234-K363 WeakPolarHBondContact OH-CA 3.27Å; Y234-L365 WeakPolarHBondContact OH-CA 3.3Å; Y234-L365 WeakPolarHBondContact OH-CB 3.16Å; Y234-L365 PolarHBondContact OH-N 2.78Å; Y234-L365 PolarHBondContact OH-O 3.25Å
235	L	98.6	Very high	96.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	151.9	-179.1	-59.5	-177.9	0	0	0	112.7	F157 M183 Y201 Q204 V205 L227 L228 I229	F157-L235 WeakPolarHBondContact CA-O 3.43Å; M183-L235 HydrophobicContact CE-CD1 3.61Å; M183-L235 HydrophobicContact CE-CD2 3.41Å; M183-L235 VanDerWaalsContact CE-CD2 3.41Å; M183-L235 HydrophobicContact CE-CG 4.13Å; Y201-L235 HydrophobicContact CD1-CD1 3.84Å; Y201-L235 HydrophobicContact CD1-CD2 3.6Å; Y201-L235 HydrophobicContact CD1-CG 3.64Å; Y201-L235 HydrophobicContact CE1-CD2 3.85Å; Y201-L235 HydrophobicContact CE1-CG 4.25Å; Y201-L235 HydrophobicContact CG-CD1 4.27Å; Y201-L235 HydrophobicContact CG-CD2 4.45Å; Q204-L235 HydrophobicContact CB-CD1 4.39Å; V205-L235 HydrophobicContact CG2-CD1 4.1Å; L227-L235 HydrophobicContact CD1-CD1 4.44Å; L228-L235 CarbonylContact O-C 3.6Å; L228-L235 VanDerWaalsContact O-CA 3.31Å; L228-L235 WeakPolarHBondContact O-CA 3.46Å; I229-L235 HydrophobicContact CG1-CD2 4.03Å
236	K	98.5	Very high	96.4	Very high	23 Å²	23	22.4 Å²	22.4	10%	0.1	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	110.3	164.4	-71.9	-69.9	-167.2	162.9	0	108.4	P156 F157 L158 V159 E176 V178 L228 A230 T238	P156-K236 WeakPolarHBondContact O-CE 3.47Å; P156-K236 PolarHBondContact O-NZ 3.37Å; F157-K236 CarbonylContact O-C 3.58Å; F157-K236 WeakPolarHBondContact O-CA 3.31Å; L158-K236 PolarHBondContact O-NZ 2.84Å; V159-K236 HydrophobicContact CG2-CB 3.84Å; E176-K236 VanDerWaalsContact CD-NZ 3.33Å; E176-K236 WeakPolarHBondContact OE1-CD 3.34Å; E176-K236 VanDerWaalsContact OE1-CE 3.25Å; E176-K236 WeakPolarHBondContact OE1-CE 2.88Å; E176-K236 IonicContact OE1-NZ 3.81Å; E176-K236 PolarHBondContact OE1-NZ 2.82Å; E176-K236 WeakPolarHBondContact OE2-CE 3.38Å; E176-K236 IonicContact OE2-NZ 3.55Å; E176-K236 PolarHBondContact OE2-NZ 3Å; E176-K236 VanDerWaalsContact OE2-NZ 3.13Å; V178-K236 HydrophobicContact CG1-CB 4.21Å; V178-K236 HydrophobicContact CG1-CG 4.18Å; V178-K236 HydrophobicContact CG2-CB 3.81Å; V178-K236 HydrophobicContact CG2-CG 3.8Å; L228-K236 HydrophobicContact CB-CB 4.43Å; L228-K236 PolarHBondContact N-O 3.16Å; L228-K236 PolarHBondContact O-N 2.68Å; A230-K236 HydrophobicContact CB-CG 4.49Å; K236-T238 PolarHBondContact O-N 2.79Å
237	V	98.5	Very high	95.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	123.1	171.8	-177.4	0	0	0	0	108.1	F157 L158 V159 A208 Y219 L227	F157-V237 WeakPolarHBondContact O-CG2 3.43Å; F157-V237 PolarHBondContact O-N 3.41Å; L158-V237 HydrophobicContact CD2-CB 3.68Å; L158-V237 HydrophobicContact CD2-CG1 4.34Å; L158-V237 HydrophobicContact CD2-CG2 3.87Å; V159-V237 WeakPolarHBondContact CB-O 3.31Å; V159-V237 WeakPolarHBondContact CG2-O 3.19Å; V159-V237 PolarHBondContact N-O 2.91Å; A208-V237 HydrophobicContact CB-CG2 4.33Å; Y219-V237 HydrophobicContact CD2-CG1 4.34Å; Y219-V237 HydrophobicContact CE1-CG1 3.98Å; Y219-V237 HydrophobicContact CE2-CG1 3.71Å; L227-V237 HydrophobicContact CD2-CB 4.32Å; L227-V237 HydrophobicContact CD2-CG2 3.67Å
238	T	96.6	Very high	95.6	Very high	27 Å²	27	32.7 Å²	32.7	17%	0.166	18%	0.179	C	C	.	.			trans	-113.3	-176.6	179.4	-166.7	0	0	0	0	111.2	Y219 N226 L228 K236	Y219-T238 PolarHBondContact OH-O 3.13Å; N226-T238 WeakPolarHBondContact O-CG2 3.44Å; N226-T238 PolarHBondContact O-N 2.82Å; L228-T238 HydrophobicContact CD1-CG2 4.07Å; L228-T238 HydrophobicContact CG-CG2 3.94Å; K236-T238 PolarHBondContact O-N 2.79Å
239	D	93.6	Very high	95.3	Very high	55 Å²	55	39.9 Å²	39.9	29%	0.294	20%	0.204	S	C	.	.			trans	49.8	88.3	176.6	-159	3.2	0	0	0	115.6	K127 Y219 G241	K127-D239 IonicContact NZ-OD1 3.99Å; K127-D239 PolarHBondContact NZ-OD1 2.99Å; Y219-D239 VanDerWaalsContact CE2-O 3.29Å; Y219-D239 WeakPolarHBondContact CE2-O 3.33Å; Y219-D239 PolarHBondContact OH-O 3.37Å; D239-G241 VanDerWaalsContact C-N 3.29Å; D239-G241 PolarHBondContact O-N 2.9Å; D239-G241 PolarHBondContact OD1-N 3.5Å
240	F	95.9	Very high	95.1	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.206	C	C	.	.			trans	-94.1	18.7	179.1	-77	-106.7	0	0	0	112.3	E146 I149 L150 I153 L158 L212 Y219 F242 A243	E146-F240 HydrophobicContact CG-CB 4.01Å; E146-F240 PolarHBondContact OE1-N 2.97Å; I149-F240 HydrophobicContact CG2-CD1 3.82Å; I149-F240 HydrophobicContact CG2-CE1 4.3Å; L150-F240 HydrophobicContact CD2-CB 4.43Å; L150-F240 HydrophobicContact CD2-CD2 3.63Å; L150-F240 HydrophobicContact CD2-CE2 4.02Å; L150-F240 HydrophobicContact CD2-CG 4.08Å; L150-F240 HydrophobicContact CG-CB 4.27Å; L150-F240 HydrophobicContact CG-CD2 4.37Å; L150-F240 HydrophobicContact CG-CG 4.39Å; I153-F240 HydrophobicContact CD1-CD1 4.24Å; I153-F240 HydrophobicContact CD1-CE1 3.56Å; I153-F240 HydrophobicContact CD1-CE2 4.22Å; I153-F240 HydrophobicContact CD1-CZ 3.53Å; L158-F240 HydrophobicContact CB-CZ 4.3Å; L158-F240 HydrophobicContact CD1-CZ 4.28Å; L158-F240 HydrophobicContact CD2-CZ 4.01Å; L158-F240 HydrophobicContact CG-CZ 4.41Å; L212-F240 HydrophobicContact CD1-CE1 4.13Å; L212-F240 HydrophobicContact CD2-CE1 4.05Å; Y219-F240 HydrophobicContact CD2-CD1 4.18Å; Y219-F240 HydrophobicContact CD2-CE1 4.19Å; Y219-F240 HydrophobicContact CE2-CD1 4.4Å; Y219-F240 HydrophobicContact CE2-CD2 4.43Å; Y219-F240 HydrophobicContact CE2-CE1 4.5Å; Y219-F240 HydrophobicContact CE2-CG 4.38Å; F240-F242 PolarHBondContact O-N 3.4Å; F240-F242 VanDerWaalsContact O-N 3.15Å; F240-A243 HydrophobicContact CB-CB 3.96Å; F240-A243 HydrophobicContact CD1-CB 3.67Å; F240-A243 HydrophobicContact CG-CB 4.27Å; F240-A243 WeakPolarHBondContact O-CB 3.47Å; F240-A243 PolarHBondContact O-N 3.43Å
241	G	93.1	Very high	95	Very high	11 Å²	11	48.1 Å²	48.1	11%	0.113	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.7	-176.8	0	0	0	0	0	114.5	H142 D239	H142-G241 WeakPolarHBondContact CB-O 3.4Å; D239-G241 VanDerWaalsContact C-N 3.29Å; D239-G241 PolarHBondContact O-N 2.9Å; D239-G241 PolarHBondContact OD1-N 3.5Å
242	F	93.6	Very high	94.8	Very high	58 Å²	58	46.9 Å²	46.9	25%	0.254	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	2.9	172.8	-59.2	-34.2	0	0	0	113.8	Y219 R220 D221 F240 C254	Y219-F242 CarbonylContact O-C 3.48Å; R220-F242 HydrophobicContact CB-CB 4.21Å; R220-F242 PolarHBondContact NE-O 3.36Å; R220-F242 PolarHBondContact NH2-O 3.19Å; D221-F242 HydrophobicContact CB-CD2 3.75Å; D221-F242 HydrophobicContact CB-CE2 4.49Å; F240-F242 PolarHBondContact O-N 3.4Å; F240-F242 VanDerWaalsContact O-N 3.15Å; F242-C254 HydrophobicContact CD1-CB 3.98Å; F242-C254 HydrophobicContact CD2-CB 4.12Å; F242-C254 HydrophobicContact CE1-CB 4.17Å; F242-C254 HydrophobicContact CE2-CB 4.35Å; F242-C254 HydrophobicContact CG-CB 3.98Å; F242-C254 HydrophobicContact CZ-CB 4.38Å
243	A	96.5	Very high	94.6	Very high	3 Å²	3	49.4 Å²	49.4	3%	0.025	24%	0.236	C	C	.	.			trans	-68.4	145.7	178.7	0	0	0	0	0	111.5	I149 I218 Y219 F240	I149-A243 VanDerWaalsContact CD1-C 3.47Å; I149-A243 HydrophobicContact CD1-CB 3.57Å; I149-A243 WeakPolarHBondContact CD1-O 3.35Å; I218-A243 CarbonylContact O-C 3.6Å; I218-A243 WeakPolarHBondContact O-CA 3.37Å; Y219-A243 PolarHBondContact O-N 2.76Å; F240-A243 HydrophobicContact CB-CB 3.96Å; F240-A243 HydrophobicContact CD1-CB 3.67Å; F240-A243 HydrophobicContact CG-CB 4.27Å; F240-A243 WeakPolarHBondContact O-CB 3.47Å; F240-A243 PolarHBondContact O-N 3.43Å
244	K	95.5	Very high	94.3	Very high	41 Å²	41	50 Å²	50	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	138.6	-177.9	-167	167.8	-174.4	145.7	0	112.5	E141 L217 I218 I246	E141-K244 IonicContact OE1-NZ 3.19Å; E141-K244 PolarHBondContact OE1-NZ 2.96Å; L217-K244 WeakPolarHBondContact CA-O 3.34Å; I218-K244 HydrophobicContact CG1-CB 4.27Å; I218-K244 WeakPolarHBondContact CG1-O 3.45Å; I218-K244 PolarHBondContact N-O 2.93Å; I218-K244 PolarHBondContact O-N 3.46Å; K244-I246 HydrophobicContact CB-CG2 4.36Å; K244-I246 HydrophobicContact CD-CG2 4.21Å; K244-I246 HydrophobicContact CG-CG2 3.94Å
245	K	96	Very high	93.9	Very high	44 Å²	44	51 Å²	51	19%	0.191	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.1	168.8	-162.4	172.6	-174.5	177.4	0	110.2	F81 E82 W85 F215 D216 L217	F81-K245 HydrophobicContact CE1-CD 4.45Å; E82-K245 IonicContact OE1-NZ 2.69Å; E82-K245 PolarHBondContact OE1-NZ 2.97Å; E82-K245 IonicContact OE2-NZ 3.18Å; E82-K245 PolarHBondContact OE2-NZ 2.85Å; W85-K245 HydrophobicContact CD2-CD 4.2Å; W85-K245 HydrophobicContact CH2-CB 4.05Å; W85-K245 HydrophobicContact CH2-CD 4.25Å; W85-K245 HydrophobicContact CZ2-CB 4.01Å; W85-K245 HydrophobicContact CZ2-CD 3.67Å; W85-K245 HydrophobicContact CZ2-CG 4.46Å; F215-K245 WeakPolarHBondContact O-CE 3.39Å; D216-K245 HydrophobicContact CB-CG 4.36Å; D216-K245 CarbonylContact O-C 3.58Å; D216-K245 VanDerWaalsContact O-CA 3.31Å; D216-K245 WeakPolarHBondContact O-CA 3.35Å; L217-K245 HydrophobicContact CD2-CB 3.73Å; L217-K245 HydrophobicContact CD2-CG 4.16Å
246	I	93.7	Very high	93.6	Very high	13 Å²	13	52.2 Å²	52.2	7%	0.067	26%	0.259	C	S	.	.			trans	-139.7	118.8	-175.6	57.8	135.7	0	0	0	113.2	D216 I218 K244 G248 N271	D216-I246 WeakPolarHBondContact CB-O 3.43Å; D216-I246 PolarHBondContact O-N 3.27Å; I218-I246 HydrophobicContact CB-CG1 4.48Å; I218-I246 HydrophobicContact CD1-CD1 3.78Å; I218-I246 HydrophobicContact CD1-CG1 3.83Å; I218-I246 HydrophobicContact CD1-CG2 4.19Å; I218-I246 HydrophobicContact CG1-CD1 4.38Å; I218-I246 HydrophobicContact CG1-CG1 4Å; I218-I246 HydrophobicContact CG2-CD1 3.7Å; I218-I246 HydrophobicContact CG2-CG1 3.73Å; K244-I246 HydrophobicContact CB-CG2 4.36Å; K244-I246 HydrophobicContact CD-CG2 4.21Å; K244-I246 HydrophobicContact CG-CG2 3.94Å; I246-G248 WeakPolarHBondContact CD1-O 3.41Å; I246-G248 PolarHBondContact O-N 2.69Å; I246-N271 HydrophobicContact CD1-CB 4.49Å
247	K	87.6	Confident	93.4	Very high	190 Å²	190	52.8 Å²	52.8	83%	0.826	27%	0.265	S	S	*	.	S	Bend	trans	-82.2	11.7	174.2	-65.4	-171.5	174.4	-173.5	0	114.4
248	G	91.1	Very high	93.3	Very high	40 Å²	40	55.4 Å²	55.4	41%	0.412	28%	0.277	S	S	.	.	S	Bend	trans	-175.6	-107.1	-170.4	0	0	0	0	0	112.7	I246 N271	I246-G248 WeakPolarHBondContact CD1-O 3.41Å; I246-G248 PolarHBondContact O-N 2.69Å; G248-N271 WeakPolarHBondContact O-CB 3.34Å
249	R	93.2	Very high	93.3	Very high	172 Å²	172	54.8 Å²	54.8	65%	0.649	27%	0.272	S	S	*	.			trans	-117.5	152.9	-177.5	-66.9	178.8	-178.8	173.4	1.3	112.2	W251 G269 Y270	R249-W251 HydrophobicContact CB-CH2 4.09Å; R249-W251 HydrophobicContact CB-CZ2 4.16Å; R249-W251 WeakPolarHBondContact O-CZ3 3.27Å; R249-G269 WeakPolarHBondContact CD-O 3.36Å; R249-Y270 CarbonylContact C-O 3.57Å; R249-Y270 WeakPolarHBondContact CA-O 2.97Å
250	T	93.3	Very high	93.5	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.049	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-130.2	168.7	167	-164.3	0	0	0	0	110.3	I218 G269 Y270	I218-T250 HydrophobicContact CD1-CG2 3.82Å; T250-G269 CarbonylContact O-C 3.48Å; T250-G269 WeakPolarHBondContact O-CA 3.49Å; T250-Y270 HydrophobicContact CG2-CD1 4.45Å; T250-Y270 HydrophobicContact CG2-CD2 3.88Å; T250-Y270 HydrophobicContact CG2-CE1 3.96Å; T250-Y270 HydrophobicContact CG2-CE2 3.31Å; T250-Y270 HydrophobicContact CG2-CG 4.43Å; T250-Y270 PolarHBondContact N-O 3.18Å; T250-Y270 WeakPolarHBondContact O-CD1 3.2Å; T250-Y270 PolarHBondContact O-N 3.1Å
251	W	94.2	Very high	93.6	Very high	178 Å²	178	52.6 Å²	52.6	67%	0.674	26%	0.26	S	S	*	.			trans	-132.7	-4.9	-169.5	-65.7	-96.5	0	0	0	114.3	R249 L253	R249-W251 HydrophobicContact CB-CH2 4.09Å; R249-W251 HydrophobicContact CB-CZ2 4.16Å; R249-W251 WeakPolarHBondContact O-CZ3 3.27Å; W251-L253 PolarHBondContact O-N 3.06Å
252	T	89.8	Confident	93.8	Very high	52 Å²	52	52.3 Å²	52.3	32%	0.319	26%	0.256	S	S	.	.			trans	-66.8	126.7	-177.5	-50.3	0	0	0	0	110.5	C254 Y270	T252-C254 HydrophobicContact CG2-CB 4.41Å; T252-C254 PolarHBondContact O-N 3.45Å; T252-Y270 WeakPolarHBondContact O-CE1 3.37Å; T252-Y270 PolarHBondContact O-OH 2.71Å
253	L	91.3	Very high	94	Very high	113 Å²	113	49.8 Å²	49.8	59%	0.592	25%	0.245	S	C	*	.			trans	-76.2	108.9	167.7	-172.9	96.3	0	0	0	108.7	W251 I264	W251-L253 PolarHBondContact O-N 3.06Å; L253-I264 HydrophobicContact CD1-CG2 3.85Å; L253-I264 HydrophobicContact CG-CG2 4.5Å
254	C	90.7	Very high	94	Very high	13 Å²	13	50 Å²	50	9%	0.088	25%	0.246	C	C	.	.			trans	-153.2	161.7	176.9	60.6	0	0	0	0	110.3	R220 F242 T252 L260	R220-C254 VanDerWaalsContact CZ-SG 3.54Å; F242-C254 HydrophobicContact CD1-CB 3.98Å; F242-C254 HydrophobicContact CD2-CB 4.12Å; F242-C254 HydrophobicContact CE1-CB 4.17Å; F242-C254 HydrophobicContact CE2-CB 4.35Å; F242-C254 HydrophobicContact CG-CB 3.98Å; F242-C254 HydrophobicContact CZ-CB 4.38Å; T252-C254 HydrophobicContact CG2-CB 4.41Å; T252-C254 PolarHBondContact O-N 3.45Å; C254-L260 WeakPolarHBondContact O-CD2 3.29Å
255	G	90.3	Very high	94.1	Very high	25 Å²	25	49.6 Å²	49.6	26%	0.258	25%	0.246	S	C	.	.	S	Bend	trans	113.4	-179.2	-176.1	0	0	0	0	0	112.2
256	T	92	Very high	94	Very high	27 Å²	27	51.4 Å²	51.4	17%	0.166	26%	0.257	C	S	.	.			trans	-95.4	134.3	-176.3	-57	0	0	0	0	110.4	D221 K223 E258 Y259 L260	D221-T256 PolarHBondContact OD1-OG1 3.31Å; D221-T256 VanDerWaalsContact OD1-OG1 3.08Å; K223-T256 HydrophobicContact CD-CG2 4.31Å; K223-T256 WeakPolarHBondContact CD-OG1 3.31Å; K223-T256 PolarHBondContact NZ-OG1 3.42Å; T256-E258 VanDerWaalsContact C-N 3.33Å; T256-E258 PolarHBondContact O-N 3.48Å; T256-E258 VanDerWaalsContact O-N 3.14Å; T256-Y259 PolarHBondContact O-N 3.3Å; T256-L260 PolarHBondContact O-N 3.4Å
257	P	94.8	Very high	94	Very high	35 Å²	35	55.5 Å²	55.5	23%	0.227	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-49.1	-44.2	-167.2	-31.8	37.1	0	0	0	116	Y259 L260 I301 Y302 I305	P257-Y259 PolarHBondContact O-N 3.31Å; P257-L260 PolarHBondContact O-N 3.33Å; P257-I301 HydrophobicContact CB-CD1 4.47Å; P257-Y302 HydrophobicContact CB-CE1 3.87Å; P257-I305 WeakPolarHBondContact O-CD1 3.39Å
258	E	96.1	Very high	94.3	Very high	57 Å²	57	52.2 Å²	52.2	27%	0.266	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-66.9	-24.1	-178.5	-65.1	79.9	179	0	0	113	T256 P291 I301	T256-E258 VanDerWaalsContact C-N 3.33Å; T256-E258 PolarHBondContact O-N 3.48Å; T256-E258 VanDerWaalsContact O-N 3.14Å; E258-P291 HydrophobicContact CB-CB 4.38Å; E258-P291 HydrophobicContact CB-CG 4.48Å; E258-P291 HydrophobicContact CG-CG 4.22Å; E258-I301 HydrophobicContact CG-CD1 4.19Å
259	Y	98	Very high	94.4	Very high	15 Å²	15	51 Å²	51	6%	0.059	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-102.5	-7.7	-174.6	-81.4	-97.3	0	0	0	113.6	L222 K223 P224 T256 P257 A261 A278 I281 L282 E285	L222-Y259 WeakPolarHBondContact O-CD1 3.01Å; L222-Y259 WeakPolarHBondContact O-CE1 3.21Å; K223-Y259 HydrophobicContact CB-CD2 4.19Å; K223-Y259 HydrophobicContact CB-CE2 4.04Å; P224-Y259 VanDerWaalsContact CD-OH 3.3Å; P224-Y259 WeakPolarHBondContact CD-OH 3.45Å; T256-Y259 PolarHBondContact O-N 3.3Å; P257-Y259 PolarHBondContact O-N 3.31Å; Y259-A261 PolarHBondContact O-N 2.79Å; Y259-A278 HydrophobicContact CD1-CB 4.09Å; Y259-I281 HydrophobicContact CD1-CB 3.67Å; Y259-I281 HydrophobicContact CD1-CG1 4.45Å; Y259-I281 HydrophobicContact CD1-CG2 3.57Å; Y259-I281 HydrophobicContact CD2-CG2 3.9Å; Y259-I281 HydrophobicContact CE1-CB 3.69Å; Y259-I281 HydrophobicContact CE1-CG2 3.46Å; Y259-I281 VanDerWaalsContact CE1-CG2 3.46Å; Y259-I281 HydrophobicContact CE2-CG2 3.77Å; Y259-I281 HydrophobicContact CG-CB 4.29Å; Y259-I281 HydrophobicContact CG-CG2 3.81Å; Y259-L282 HydrophobicContact CE1-CB 4.01Å; Y259-E285 PolarHBondContact OH-OE2 2.8Å
260	L	97.4	Very high	94.5	Very high	8 Å²	8	43 Å²	43	4%	0.042	23%	0.23	C	C	.	.			trans	-63.8	134.1	-179.4	-67.8	-175.7	0	0	0	111.8	C254 T256 P257 I264 I265 W277 Y302	C254-L260 WeakPolarHBondContact O-CD2 3.29Å; T256-L260 PolarHBondContact O-N 3.4Å; P257-L260 PolarHBondContact O-N 3.33Å; L260-I264 HydrophobicContact CD2-CD1 4.33Å; L260-I264 HydrophobicContact CD2-CG2 4.12Å; L260-I265 HydrophobicContact CB-CD1 4.08Å; L260-I265 HydrophobicContact CB-CG1 3.99Å; L260-I265 HydrophobicContact CD1-CG1 4.21Å; L260-W277 PolarHBondContact O-NE1 3.29Å; L260-W277 VanDerWaalsContact O-NE1 3.11Å; L260-Y302 HydrophobicContact CD1-CE1 3.84Å
261	A	97.9	Very high	94.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	24%	0.236	C	C	.	.			trans	-73.7	149.9	171.7	0	0	0	0	0	111.2	Y259 E263 I264 I265 V274 W277	Y259-A261 PolarHBondContact O-N 2.79Å; A261-E263 HydrophobicContact CB-CG 4.32Å; A261-E263 PolarHBondContact O-N 3.01Å; A261-E263 VanDerWaalsContact O-N 3.16Å; A261-I264 HydrophobicContact CB-CD1 4.37Å; A261-I264 HydrophobicContact CB-CG1 4.38Å; A261-I264 WeakPolarHBondContact O-CB 3.15Å; A261-I264 PolarHBondContact O-N 3.09Å; A261-I265 PolarHBondContact O-N 2.86Å; A261-V274 HydrophobicContact CB-CB 3.98Å; A261-V274 HydrophobicContact CB-CG1 3.81Å; A261-W277 HydrophobicContact CB-CB 3.99Å; A261-W277 HydrophobicContact CB-CD2 4.33Å; A261-W277 HydrophobicContact CB-CG 3.82Å
262	P	97.7	Very high	94.8	Very high	5 Å²	5	39 Å²	39	3%	0.032	22%	0.218	C	C	.	.	H	α-helix	trans	-54.5	-38	-179	-25.8	32.7	0	0	0	113.5	I264 I265 L266 W277 I305 T330	P262-I264 VanDerWaalsContact C-N 3.31Å; P262-I264 PolarHBondContact O-N 2.7Å; P262-I265 PolarHBondContact O-N 2.96Å; P262-L266 WeakPolarHBondContact O-CB 3.31Å; P262-L266 WeakPolarHBondContact O-CG 3.45Å; P262-L266 PolarHBondContact O-N 3.42Å; P262-W277 HydrophobicContact CG-CE3 4.23Å; P262-W277 HydrophobicContact CG-CH2 3.53Å; P262-W277 HydrophobicContact CG-CZ2 3.98Å; P262-W277 HydrophobicContact CG-CZ3 3.67Å; P262-I305 HydrophobicContact CB-CG2 4.29Å; P262-I305 HydrophobicContact CG-CG2 3.75Å; P262-T330 HydrophobicContact CG-CG2 3.95Å
263	E	97.3	Very high	95.2	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.023	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-28.1	179	60	-91.5	-146.4	0	0	114	A261 S267 K268 V274 L332 R335	A261-E263 HydrophobicContact CB-CG 4.32Å; A261-E263 PolarHBondContact O-N 3.01Å; A261-E263 VanDerWaalsContact O-N 3.16Å; E263-S267 PolarHBondContact O-N 3.15Å; E263-K268 HydrophobicContact CB-CB 4.3Å; E263-K268 PolarHBondContact O-N 2.9Å; E263-V274 HydrophobicContact CG-CG1 4.06Å; E263-L332 HydrophobicContact CB-CD2 4.38Å; E263-R335 IonicContact OE1-CZ 3.48Å; E263-R335 IonicContact OE1-NH1 3.46Å; E263-R335 PolarHBondContact OE1-NH1 2.81Å; E263-R335 IonicContact OE1-NH2 3.41Å; E263-R335 PolarHBondContact OE1-NH2 3.24Å; E263-R335 IonicContact OE2-CZ 3.74Å; E263-R335 IonicContact OE2-NH1 3.01Å; E263-R335 IonicContact OE2-NH2 2.92Å; E263-R335 PolarHBondContact OE2-NH2 3.14Å
264	I	96.8	Very high	95.5	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-70.6	-48.2	173.5	-60.8	177.4	0	0	0	109.2	L253 L260 A261 P262 L266 S267 Y270 V274	L253-I264 HydrophobicContact CD1-CG2 3.85Å; L253-I264 HydrophobicContact CG-CG2 4.5Å; L260-I264 HydrophobicContact CD2-CD1 4.33Å; L260-I264 HydrophobicContact CD2-CG2 4.12Å; A261-I264 HydrophobicContact CB-CD1 4.37Å; A261-I264 HydrophobicContact CB-CG1 4.38Å; A261-I264 WeakPolarHBondContact O-CB 3.15Å; A261-I264 PolarHBondContact O-N 3.09Å; P262-I264 VanDerWaalsContact C-N 3.31Å; P262-I264 PolarHBondContact O-N 2.7Å; I264-L266 VanDerWaalsContact C-N 3.31Å; I264-L266 PolarHBondContact O-N 3.25Å; I264-S267 PolarHBondContact O-N 3.5Å; I264-Y270 HydrophobicContact CD1-CD2 4.45Å; I264-Y270 HydrophobicContact CD1-CE2 4.26Å; I264-Y270 HydrophobicContact CG1-CD1 3.78Å; I264-Y270 HydrophobicContact CG1-CD2 4.19Å; I264-Y270 HydrophobicContact CG1-CE1 3.9Å; I264-Y270 HydrophobicContact CG1-CE2 4.29Å; I264-Y270 HydrophobicContact CG1-CG 3.93Å; I264-V274 HydrophobicContact CD1-CB 3.94Å; I264-V274 HydrophobicContact CD1-CG1 3.83Å; I264-V274 HydrophobicContact CD1-CG2 4.32Å; I264-V274 HydrophobicContact CG1-CG1 3.9Å
265	I	95.9	Very high	95.9	Very high	33 Å²	33	30.8 Å²	30.8	17%	0.169	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-43.2	178.7	-66	164.7	0	0	0	110.8	L260 A261 P262 S267 Y302 I305 V306	L260-I265 HydrophobicContact CB-CD1 4.08Å; L260-I265 HydrophobicContact CB-CG1 3.99Å; L260-I265 HydrophobicContact CD1-CG1 4.21Å; A261-I265 PolarHBondContact O-N 2.86Å; P262-I265 PolarHBondContact O-N 2.96Å; I265-S267 PolarHBondContact O-N 3.13Å; I265-S267 VanDerWaalsContact O-N 3.13Å; I265-Y302 HydrophobicContact CD1-CD1 3.74Å; I265-Y302 HydrophobicContact CD1-CG 4.2Å; I265-Y302 HydrophobicContact CG1-CD1 3.98Å; I265-Y302 HydrophobicContact CG1-CG 4.31Å; I265-Y302 HydrophobicContact CG2-CG 4.18Å; I265-I305 HydrophobicContact CD1-CB 3.81Å; I265-I305 HydrophobicContact CD1-CD1 3.82Å; I265-I305 HydrophobicContact CD1-CG1 4.43Å; I265-I305 HydrophobicContact CD1-CG2 3.48Å; I265-I305 VanDerWaalsContact CD1-CG2 3.48Å; I265-V306 HydrophobicContact CB-CG2 4.43Å; I265-V306 HydrophobicContact CG2-CG2 3.93Å
266	L	95.3	Very high	96.3	Very high	82 Å²	82	29.8 Å²	29.8	43%	0.429	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	7.5	177.9	-64.8	173.1	0	0	0	113.5	P262 I264 K268 V306	P262-L266 WeakPolarHBondContact O-CB 3.31Å; P262-L266 WeakPolarHBondContact O-CG 3.45Å; P262-L266 PolarHBondContact O-N 3.42Å; I264-L266 VanDerWaalsContact C-N 3.31Å; I264-L266 PolarHBondContact O-N 3.25Å; L266-K268 HydrophobicContact CB-CD 4.36Å; L266-K268 HydrophobicContact CB-CG 4.18Å; L266-K268 PolarHBondContact O-N 2.93Å; L266-V306 HydrophobicContact CD1-CG1 4.46Å; L266-V306 HydrophobicContact CD2-CG1 4.26Å; L266-V306 HydrophobicContact CD2-CG2 4.17Å; L266-V306 HydrophobicContact CG-CG2 4.18Å
267	S	94	Very high	96.6	Very high	99 Å²	99	28.5 Å²	28.5	69%	0.692	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	33.7	178.6	-56.6	0	0	0	0	113.7	E263 I264 I265	E263-S267 PolarHBondContact O-N 3.15Å; I264-S267 PolarHBondContact O-N 3.5Å; I265-S267 PolarHBondContact O-N 3.13Å; I265-S267 VanDerWaalsContact O-N 3.13Å
268	K	94.1	Very high	96.8	Very high	121 Å²	121	27.1 Å²	27.1	53%	0.526	14%	0.144	S	C	.	.			trans	-87.2	151.6	175.5	-63.1	179.5	-178	174.9	0	109.5	E263 L266 Y270	E263-K268 HydrophobicContact CB-CB 4.3Å; E263-K268 PolarHBondContact O-N 2.9Å; L266-K268 HydrophobicContact CB-CD 4.36Å; L266-K268 HydrophobicContact CB-CG 4.18Å; L266-K268 PolarHBondContact O-N 2.93Å; K268-Y270 PolarHBondContact O-N 2.77Å
269	G	92.9	Very high	96.9	Very high	14 Å²	14	24.4 Å²	24.4	14%	0.144	13%	0.131	C	C	.	.			trans	-62.6	121.3	168	0	0	0	0	0	109.9	R249 T250	R249-G269 WeakPolarHBondContact CD-O 3.36Å; T250-G269 CarbonylContact O-C 3.48Å; T250-G269 WeakPolarHBondContact O-CA 3.49Å
270	Y	95.5	Very high	97	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.016	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-119.7	163.3	-172.9	65.2	-94.5	0	0	0	112	I218 R220 R249 T250 T252 I264 K268 V274	I218-Y270 HydrophobicContact CD1-CE2 4.25Å; R220-Y270 WeakPolarHBondContact CD-OH 3.34Å; R220-Y270 PolarHBondContact NH1-OH 3.46Å; R249-Y270 CarbonylContact C-O 3.57Å; R249-Y270 WeakPolarHBondContact CA-O 2.97Å; T250-Y270 HydrophobicContact CG2-CD1 4.45Å; T250-Y270 HydrophobicContact CG2-CD2 3.88Å; T250-Y270 HydrophobicContact CG2-CE1 3.96Å; T250-Y270 HydrophobicContact CG2-CE2 3.31Å; T250-Y270 HydrophobicContact CG2-CG 4.43Å; T250-Y270 PolarHBondContact N-O 3.18Å; T250-Y270 WeakPolarHBondContact O-CD1 3.2Å; T250-Y270 PolarHBondContact O-N 3.1Å; T252-Y270 WeakPolarHBondContact O-CE1 3.37Å; T252-Y270 PolarHBondContact O-OH 2.71Å; I264-Y270 HydrophobicContact CD1-CD2 4.45Å; I264-Y270 HydrophobicContact CD1-CE2 4.26Å; I264-Y270 HydrophobicContact CG1-CD1 3.78Å; I264-Y270 HydrophobicContact CG1-CD2 4.19Å; I264-Y270 HydrophobicContact CG1-CE1 3.9Å; I264-Y270 HydrophobicContact CG1-CE2 4.29Å; I264-Y270 HydrophobicContact CG1-CG 3.93Å; K268-Y270 PolarHBondContact O-N 2.77Å; Y270-V274 HydrophobicContact CD2-CB 4.39Å; Y270-V274 HydrophobicContact CD2-CG1 3.55Å; Y270-V274 HydrophobicContact CD2-CG2 3.96Å; Y270-V274 HydrophobicContact CE2-CG1 4.37Å; Y270-V274 HydrophobicContact CE2-CG2 4.14Å; Y270-V274 HydrophobicContact CG-CG1 3.95Å
271	N	95.8	Very high	97	Very high	35 Å²	35	23.3 Å²	23.3	19%	0.187	13%	0.127	C	C	.	.			trans	-129.2	-162.9	-176.3	71.5	-5.2	0	0	0	111	I246 G248 A273 V274 N338	I246-N271 HydrophobicContact CD1-CB 4.49Å; G248-N271 WeakPolarHBondContact O-CB 3.34Å; N271-A273 PolarHBondContact O-N 2.99Å; N271-A273 WeakPolarHBondContact OD1-CB 3.15Å; N271-A273 PolarHBondContact OD1-N 3.33Å; N271-V274 WeakPolarHBondContact O-CG2 3.45Å; N271-V274 PolarHBondContact O-N 2.78Å; N271-N338 PolarHBondContact ND2-OD1 3.41Å; N271-N338 VanDerWaalsContact ND2-OD1 3.12Å
272	K	97.3	Very high	97.1	Very high	66 Å²	66	23.3 Å²	23.3	29%	0.287	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-19.6	177.5	3.4	-175.7	172.6	-164.9	0	115.3	H213 D216 I218 V274 D275	H213-K272 HydrophobicContact CB-CD 3.98Å; H213-K272 VanDerWaalsContact CE1-CB 3.49Å; H213-K272 WeakPolarHBondContact CE1-CB 3.2Å; H213-K272 PolarHBondContact CE1-O 2.73Å; H213-K272 VanDerWaalsContact CE1-O 3.32Å; H213-K272 WeakPolarHBondContact ND1-CB 3.49Å; H213-K272 PolarHBondContact O-NZ 3.01Å; D216-K272 IonicContact OD1-NZ 2.68Å; D216-K272 PolarHBondContact OD1-NZ 3.01Å; I218-K272 HydrophobicContact CG2-CB 3.83Å; I218-K272 HydrophobicContact CG2-CG 4.38Å; K272-V274 PolarHBondContact O-N 2.94Å; K272-V274 VanDerWaalsContact O-N 3.08Å; K272-D275 PolarHBondContact O-N 3.38Å; K272-D275 VanDerWaalsContact O-N 3.15Å
273	A	97.8	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-18.8	179.9	0	0	0	0	0	114.5	N271 W276 W277 R335 N338	N271-A273 PolarHBondContact O-N 2.99Å; N271-A273 WeakPolarHBondContact OD1-CB 3.15Å; N271-A273 PolarHBondContact OD1-N 3.33Å; A273-W276 PolarHBondContact O-N 3.23Å; A273-W277 PolarHBondContact O-N 3.46Å; A273-R335 WeakPolarHBondContact O-CD 3.41Å; A273-R335 PolarHBondContact O-NH1 3.28Å; A273-N338 HydrophobicContact CB-CB 3.79Å
274	V	98.2	Very high	97.2	Very high	5 Å²	5	23 Å²	23	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-70.4	-32.6	177.9	-56.5	0	0	0	0	112.2	R220 A261 E263 I264 Y270 N271 K272 W276 W277 A278	R220-V274 HydrophobicContact CG-CG2 4.34Å; A261-V274 HydrophobicContact CB-CB 3.98Å; A261-V274 HydrophobicContact CB-CG1 3.81Å; E263-V274 HydrophobicContact CG-CG1 4.06Å; I264-V274 HydrophobicContact CD1-CB 3.94Å; I264-V274 HydrophobicContact CD1-CG1 3.83Å; I264-V274 HydrophobicContact CD1-CG2 4.32Å; I264-V274 HydrophobicContact CG1-CG1 3.9Å; Y270-V274 HydrophobicContact CD2-CB 4.39Å; Y270-V274 HydrophobicContact CD2-CG1 3.55Å; Y270-V274 HydrophobicContact CD2-CG2 3.96Å; Y270-V274 HydrophobicContact CE2-CG1 4.37Å; Y270-V274 HydrophobicContact CE2-CG2 4.14Å; Y270-V274 HydrophobicContact CG-CG1 3.95Å; N271-V274 WeakPolarHBondContact O-CG2 3.45Å; N271-V274 PolarHBondContact O-N 2.78Å; K272-V274 PolarHBondContact O-N 2.94Å; K272-V274 VanDerWaalsContact O-N 3.08Å; V274-W276 VanDerWaalsContact C-N 3.35Å; V274-W277 WeakPolarHBondContact O-CB 3.46Å; V274-W277 PolarHBondContact O-N 3.23Å; V274-A278 PolarHBondContact O-N 2.86Å
275	D	98.7	Very high	97.3	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-67.6	-39	175.9	-70.8	-23	0	0	0	110.1	F209 H213 I218 Y219 R220 K272 W277 A278 L279	F209-D275 HydrophobicContact CD2-CB 3.96Å; F209-D275 HydrophobicContact CE1-CB 4.3Å; F209-D275 HydrophobicContact CE2-CB 3.7Å; F209-D275 VanDerWaalsContact CE2-O 3.26Å; F209-D275 WeakPolarHBondContact CE2-O 3.26Å; F209-D275 HydrophobicContact CG-CB 4.37Å; F209-D275 HydrophobicContact CZ-CB 3.85Å; H213-D275 IonicContact CD2-OD2 3.13Å; H213-D275 IonicContact CE1-OD2 2.71Å; H213-D275 IonicContact NE2-OD2 2.73Å; H213-D275 PolarHBondContact NE2-OD2 3.33Å; I218-D275 WeakPolarHBondContact CA-OD2 3.46Å; Y219-D275 PolarHBondContact N-OD1 3.11Å; Y219-D275 PolarHBondContact N-OD2 3.1Å; R220-D275 PolarHBondContact N-OD1 3.17Å; K272-D275 PolarHBondContact O-N 3.38Å; K272-D275 VanDerWaalsContact O-N 3.15Å; D275-W277 PolarHBondContact O-N 2.73Å; D275-A278 WeakPolarHBondContact O-CB 3.45Å; D275-A278 PolarHBondContact O-N 3.12Å; D275-L279 PolarHBondContact O-N 2.88Å
276	W	98.8	Very high	97.4	Very high	5 Å²	5	21.5 Å²	21.5	2%	0.019	12%	0.116	C	C	.	.	H	α-helix	trans	-67.4	-32.8	175.3	-59.8	124	0	0	0	113.4	V206 F209 H213 A273 V274 L279 G280 L327 G337 V343 I346	V206-W276 HydrophobicContact CG1-CZ3 4.48Å; V206-W276 HydrophobicContact CG2-CZ3 4.36Å; F209-W276 HydrophobicContact CB-CH2 3.56Å; F209-W276 HydrophobicContact CB-CZ2 4.04Å; F209-W276 HydrophobicContact CB-CZ3 3.89Å; F209-W276 HydrophobicContact CD2-CE3 4.03Å; F209-W276 HydrophobicContact CD2-CH2 4.42Å; F209-W276 AromaticContact CD2-CZ3 3.92Å; F209-W276 HydrophobicContact CD2-CZ3 3.92Å; F209-W276 HydrophobicContact CG-CZ3 4.45Å; H213-W276 AromaticContact CE1-CE2 3.75Å; H213-W276 AromaticContact CE1-NE1 3.51Å; H213-W276 AromaticContact ND1-CE2 3.7Å; H213-W276 AromaticContact ND1-CZ2 3.75Å; H213-W276 AromaticContact ND1-NE1 3.39Å; H213-W276 PolarHBondContact ND1-NE1 3.3Å; A273-W276 PolarHBondContact O-N 3.23Å; V274-W276 VanDerWaalsContact C-N 3.35Å; W276-L279 HydrophobicContact CE3-CD2 3.73Å; W276-L279 HydrophobicContact CZ3-CD2 3.87Å; W276-G280 PolarHBondContact O-N 3.4Å; W276-L327 HydrophobicContact CB-CD2 4.31Å; W276-G337 PolarHBondContact NE1-O 2.9Å; W276-V343 HydrophobicContact CH2-CB 4.32Å; W276-V343 HydrophobicContact CH2-CG2 3.61Å; W276-V343 HydrophobicContact CZ2-CB 4.23Å; W276-V343 HydrophobicContact CZ2-CG2 4.02Å; W276-V343 HydrophobicContact CZ3-CG2 4.43Å; W276-I346 HydrophobicContact CD2-CD1 3.72Å; W276-I346 HydrophobicContact CE3-CD1 3.31Å; W276-I346 HydrophobicContact CG-CD1 4.36Å; W276-I346 HydrophobicContact CH2-CD1 4.25Å; W276-I346 HydrophobicContact CZ3-CD1 3.61Å
277	W	98.7	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.7	-49.7	168.6	172.4	-82.7	0	0	0	110.7	L260 A261 P262 A273 V274 D275 L279 G280 I281 F293 I305 L328 T330	L260-W277 PolarHBondContact O-NE1 3.29Å; L260-W277 VanDerWaalsContact O-NE1 3.11Å; A261-W277 HydrophobicContact CB-CB 3.99Å; A261-W277 HydrophobicContact CB-CD2 4.33Å; A261-W277 HydrophobicContact CB-CG 3.82Å; P262-W277 HydrophobicContact CG-CE3 4.23Å; P262-W277 HydrophobicContact CG-CH2 3.53Å; P262-W277 HydrophobicContact CG-CZ2 3.98Å; P262-W277 HydrophobicContact CG-CZ3 3.67Å; A273-W277 PolarHBondContact O-N 3.46Å; V274-W277 WeakPolarHBondContact O-CB 3.46Å; V274-W277 PolarHBondContact O-N 3.23Å; D275-W277 PolarHBondContact O-N 2.73Å; W277-L279 VanDerWaalsContact C-N 3.26Å; W277-L279 PolarHBondContact O-N 2.73Å; W277-G280 WeakPolarHBondContact O-CA 3.42Å; W277-G280 PolarHBondContact O-N 2.77Å; W277-I281 HydrophobicContact CZ2-CD1 4.38Å; W277-I281 PolarHBondContact O-N 2.86Å; W277-F293 HydrophobicContact CH2-CE2 4.03Å; W277-F293 HydrophobicContact CH2-CZ 4.24Å; W277-F293 HydrophobicContact CZ2-CD2 4.33Å; W277-F293 AromaticContact CZ2-CE2 3.55Å; W277-F293 HydrophobicContact CZ2-CE2 3.55Å; W277-F293 HydrophobicContact CZ2-CZ 4.2Å; W277-I305 HydrophobicContact CH2-CG2 4.31Å; W277-I305 HydrophobicContact CZ2-CG2 3.73Å; W277-L328 HydrophobicContact CD2-CD2 4.06Å; W277-L328 HydrophobicContact CE3-CD2 4.3Å; W277-L328 HydrophobicContact CZ2-CD2 4.35Å; W277-L328 VanDerWaalsContact CZ3-C 3.44Å; W277-L328 HydrophobicContact CZ3-CB 4.28Å; W277-T330 HydrophobicContact CH2-CG2 4.3Å; W277-T330 HydrophobicContact CZ3-CG2 4.27Å
278	A	98.8	Very high	97.8	Very high	6 Å²	6	13.5 Å²	13.5	5%	0.05	7%	0.067	C	C	.	.	H	α-helix	trans	-60.1	-36.7	179.6	0	0	0	0	0	111.7	L222 Y259 V274 D275 G280 I281 L282	L222-A278 HydrophobicContact CB-CB 3.92Å; L222-A278 HydrophobicContact CD2-CB 4.16Å; Y259-A278 HydrophobicContact CD1-CB 4.09Å; V274-A278 PolarHBondContact O-N 2.86Å; D275-A278 WeakPolarHBondContact O-CB 3.45Å; D275-A278 PolarHBondContact O-N 3.12Å; A278-G280 VanDerWaalsContact C-N 3.32Å; A278-G280 PolarHBondContact O-N 2.74Å; A278-I281 WeakPolarHBondContact O-CB 3.43Å; A278-I281 PolarHBondContact O-N 3.45Å; A278-L282 PolarHBondContact O-N 2.83Å
279	L	98.9	Very high	98	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58.8	-42.6	170.5	176.3	65.3	0	0	0	111.7	A202 V205 V206 F209 L222 D275 W276 W277 I281 L282 I283 L327	A202-L279 HydrophobicContact CB-CD1 4.5Å; V205-L279 HydrophobicContact CB-CD1 4.06Å; V205-L279 HydrophobicContact CG1-CD1 3.86Å; V206-L279 HydrophobicContact CG2-CD2 3.56Å; F209-L279 HydrophobicContact CE2-CB 4.2Å; L222-L279 HydrophobicContact CD2-CB 4.35Å; D275-L279 PolarHBondContact O-N 2.88Å; W276-L279 HydrophobicContact CE3-CD2 3.73Å; W276-L279 HydrophobicContact CZ3-CD2 3.87Å; W277-L279 VanDerWaalsContact C-N 3.26Å; W277-L279 PolarHBondContact O-N 2.73Å; L279-I281 VanDerWaalsContact C-N 3.32Å; L279-I281 PolarHBondContact O-N 3.13Å; L279-L282 PolarHBondContact O-N 2.71Å; L279-I283 HydrophobicContact CD1-CD1 3.9Å; L279-I283 HydrophobicContact CD1-CG1 4.03Å; L279-I283 HydrophobicContact CD2-CD1 4.4Å; L279-I283 HydrophobicContact CG-CD1 3.81Å; L279-I283 HydrophobicContact CG-CG1 4.34Å; L279-I283 VanDerWaalsContact O-CG1 3.28Å; L279-I283 WeakPolarHBondContact O-CG1 3.21Å; L279-I283 PolarHBondContact O-N 3.25Å; L279-L327 HydrophobicContact CD2-CD1 4.39Å; L279-L327 HydrophobicContact CG-CD1 4.39Å
280	G	98.8	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.1	-40.7	174.4	0	0	0	0	0	112.8	W276 W277 A278 Y284 L324	W276-G280 PolarHBondContact O-N 3.4Å; W277-G280 WeakPolarHBondContact O-CA 3.42Å; W277-G280 PolarHBondContact O-N 2.77Å; A278-G280 VanDerWaalsContact C-N 3.32Å; A278-G280 PolarHBondContact O-N 2.74Å; G280-Y284 WeakPolarHBondContact O-CB 3.47Å; G280-Y284 PolarHBondContact O-N 2.9Å; G280-Y284 VanDerWaalsContact O-N 3.11Å; G280-L324 WeakPolarHBondContact O-CD2 3.35Å
281	I	98.8	Very high	98.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.9	-47.4	175.1	-57.6	-64.1	0	0	0	109.9	Y259 W277 A278 L279 I283 Y284 E285 P291 P292 F293 L328	Y259-I281 HydrophobicContact CD1-CB 3.67Å; Y259-I281 HydrophobicContact CD1-CG1 4.45Å; Y259-I281 HydrophobicContact CD1-CG2 3.57Å; Y259-I281 HydrophobicContact CD2-CG2 3.9Å; Y259-I281 HydrophobicContact CE1-CB 3.69Å; Y259-I281 HydrophobicContact CE1-CG2 3.46Å; Y259-I281 VanDerWaalsContact CE1-CG2 3.46Å; Y259-I281 HydrophobicContact CE2-CG2 3.77Å; Y259-I281 HydrophobicContact CG-CB 4.29Å; Y259-I281 HydrophobicContact CG-CG2 3.81Å; W277-I281 HydrophobicContact CZ2-CD1 4.38Å; W277-I281 PolarHBondContact O-N 2.86Å; A278-I281 WeakPolarHBondContact O-CB 3.43Å; A278-I281 PolarHBondContact O-N 3.45Å; L279-I281 VanDerWaalsContact C-N 3.32Å; L279-I281 PolarHBondContact O-N 3.13Å; I281-I283 PolarHBondContact O-N 3.03Å; I281-Y284 PolarHBondContact O-N 3.44Å; I281-E285 WeakPolarHBondContact O-CB 3.24Å; I281-E285 PolarHBondContact O-N 3.1Å; I281-P291 HydrophobicContact CG2-CB 4.41Å; I281-P292 HydrophobicContact CD1-CG 3.44Å; I281-P292 VanDerWaalsContact CD1-CG 3.44Å; I281-F293 HydrophobicContact CD1-CD2 3.73Å; I281-F293 HydrophobicContact CD1-CE2 3.76Å; I281-L328 HydrophobicContact CD1-CD1 4.48Å; I281-L328 HydrophobicContact CD1-CD2 3.52Å; I281-L328 HydrophobicContact CG1-CD2 3.91Å
282	L	98.8	Very high	98.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.8	-49.5	179.1	-177.4	67.4	0	0	0	112.3	M183 V205 L222 P224 L227 Y259 A278 L279 Y284 E285 M286	M183-L282 HydrophobicContact SD-CD1 4.4Å; V205-L282 HydrophobicContact CG2-CD2 4.01Å; L222-L282 HydrophobicContact CD1-CD2 4.19Å; L222-L282 HydrophobicContact CD2-CB 4.03Å; L222-L282 HydrophobicContact CD2-CD2 3.83Å; L222-L282 HydrophobicContact CG-CD2 4.15Å; P224-L282 HydrophobicContact CG-CD1 3.91Å; L227-L282 HydrophobicContact CD1-CD1 3.99Å; L227-L282 HydrophobicContact CD1-CD2 3.6Å; L227-L282 HydrophobicContact CD1-CG 4.44Å; Y259-L282 HydrophobicContact CE1-CB 4.01Å; A278-L282 PolarHBondContact O-N 2.83Å; L279-L282 PolarHBondContact O-N 2.71Å; L282-Y284 VanDerWaalsContact C-N 3.31Å; L282-Y284 PolarHBondContact O-N 3.07Å; L282-E285 PolarHBondContact O-N 2.88Å; L282-M286 HydrophobicContact CD1-CG 4.42Å; L282-M286 HydrophobicContact CD2-CE 4.46Å; L282-M286 HydrophobicContact CG-CE 4.07Å; L282-M286 HydrophobicContact CG-SD 4.39Å; L282-M286 WeakPolarHBondContact O-CG 3.42Å; L282-M286 PolarHBondContact O-N 2.86Å
283	I	98.9	Very high	98.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.2	-42.8	179.2	-66.9	170.3	0	0	0	110.4	A202 L279 I281 M286 A287 L320 L323 L324 L327 W351	A202-I283 HydrophobicContact CB-CD1 3.88Å; A202-I283 HydrophobicContact CB-CG1 3.68Å; L279-I283 HydrophobicContact CD1-CD1 3.9Å; L279-I283 HydrophobicContact CD1-CG1 4.03Å; L279-I283 HydrophobicContact CD2-CD1 4.4Å; L279-I283 HydrophobicContact CG-CD1 3.81Å; L279-I283 HydrophobicContact CG-CG1 4.34Å; L279-I283 VanDerWaalsContact O-CG1 3.28Å; L279-I283 WeakPolarHBondContact O-CG1 3.21Å; L279-I283 PolarHBondContact O-N 3.25Å; I281-I283 PolarHBondContact O-N 3.03Å; I283-M286 HydrophobicContact CG1-CE 4.3Å; I283-A287 WeakPolarHBondContact O-CB 3.48Å; I283-A287 PolarHBondContact O-N 3.38Å; I283-A287 VanDerWaalsContact O-N 3.09Å; I283-L320 HydrophobicContact CG2-CD1 3.52Å; I283-L323 HydrophobicContact CD1-CD2 4.28Å; I283-L324 HydrophobicContact CB-CD2 3.99Å; I283-L324 HydrophobicContact CG2-CD2 3.95Å; I283-L327 HydrophobicContact CD1-CD1 4.04Å; I283-W351 HydrophobicContact CD1-CZ3 4.36Å; I283-W351 HydrophobicContact CG2-CH2 3.91Å; I283-W351 HydrophobicContact CG2-CZ2 4.43Å; I283-W351 HydrophobicContact CG2-CZ3 4.31Å
284	Y	98.8	Very high	98.2	Very high	5 Å²	5	13.9 Å²	13.9	2%	0.02	7%	0.069	C	C	.	.	H	α-helix	trans	-60.4	-48.3	175.9	-175.9	-73	0	0	0	110.7	G280 I281 L282 A287 C288 Y290 P292 V310 R311 F312 L324	G280-Y284 WeakPolarHBondContact O-CB 3.47Å; G280-Y284 PolarHBondContact O-N 2.9Å; G280-Y284 VanDerWaalsContact O-N 3.11Å; I281-Y284 PolarHBondContact O-N 3.44Å; L282-Y284 VanDerWaalsContact C-N 3.31Å; L282-Y284 PolarHBondContact O-N 3.07Å; Y284-A287 PolarHBondContact O-N 3.03Å; Y284-C288 HydrophobicContact CD1-CB 3.96Å; Y284-C288 HydrophobicContact CE1-CB 3.67Å; Y284-C288 WeakPolarHBondContact O-CB 3.45Å; Y284-C288 PolarHBondContact O-N 3.27Å; Y284-C288 PolarHBondContact O-SG 2.95Å; Y284-Y290 WeakPolarHBondContact CD1-O 3.25Å; Y284-Y290 HydrophobicContact CE1-CD2 4.06Å; Y284-Y290 AromaticContact CE1-CE2 3.8Å; Y284-Y290 HydrophobicContact CE1-CE2 3.8Å; Y284-Y290 VanDerWaalsContact CE1-O 3.22Å; Y284-Y290 WeakPolarHBondContact CE1-O 3.2Å; Y284-P292 HydrophobicContact CD1-CB 3.76Å; Y284-P292 VanDerWaalsContact CD1-CD 3.45Å; Y284-P292 HydrophobicContact CD1-CG 4.03Å; Y284-P292 VanDerWaalsContact CD1-N 3.35Å; Y284-P292 HydrophobicContact CD2-CB 3.76Å; Y284-P292 HydrophobicContact CD2-CG 4.33Å; Y284-P292 VanDerWaalsContact CE1-CA 3.45Å; Y284-P292 HydrophobicContact CE1-CB 3.83Å; Y284-P292 HydrophobicContact CE2-CB 3.82Å; Y284-P292 HydrophobicContact CG-CB 3.74Å; Y284-P292 HydrophobicContact CG-CG 3.93Å; Y284-V310 HydrophobicContact CD2-CG1 4.04Å; Y284-V310 HydrophobicContact CE2-CG1 3.7Å; Y284-R311 WeakPolarHBondContact CE2-O 3.33Å; Y284-R311 PolarHBondContact OH-O 3.44Å; Y284-F312 HydrophobicContact CD2-CD1 4.23Å; Y284-F312 HydrophobicContact CD2-CE1 4.09Å; Y284-F312 AromaticContact CE2-CD1 3.93Å; Y284-F312 HydrophobicContact CE2-CD1 3.93Å; Y284-F312 HydrophobicContact CE2-CE1 4.14Å; Y284-L324 HydrophobicContact CD2-CD1 4.08Å
285	E	98.6	Very high	98.1	Very high	8 Å²	8	14.7 Å²	14.7	4%	0.037	8%	0.076	C	C	.	.	H	α-helix	trans	-63.8	-42.8	-177.4	-175.8	166.8	171.2	0	0	112.2	L187 R188 Y259 I281 L282 G289 Y290	L187-E285 HydrophobicContact CD2-CG 3.97Å; R188-E285 IonicContact CZ-OE1 3.83Å; R188-E285 IonicContact NH2-OE1 2.69Å; R188-E285 PolarHBondContact NH2-OE1 2.91Å; Y259-E285 PolarHBondContact OH-OE2 2.8Å; I281-E285 WeakPolarHBondContact O-CB 3.24Å; I281-E285 PolarHBondContact O-N 3.1Å; L282-E285 PolarHBondContact O-N 2.88Å; E285-G289 VanDerWaalsContact O-CA 3.24Å; E285-G289 WeakPolarHBondContact O-CA 3.18Å; E285-G289 PolarHBondContact O-N 3.13Å; E285-Y290 WeakPolarHBondContact CA-O 3.29Å
286	M	98.7	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-49	174.1	-72	-171.1	-60.1	0	0	111.7	M183 F193 S198 Y201 A202 L282 I283	M183-M286 HydrophobicContact CE-SD 4.12Å; M183-M286 HydrophobicContact SD-CG 4.26Å; M183-M286 HydrophobicContact SD-SD 3.81Å; F193-M286 HydrophobicContact CB-CB 4.48Å; F193-M286 HydrophobicContact CD2-CB 3.79Å; F193-M286 HydrophobicContact CD2-CG 3.77Å; F193-M286 HydrophobicContact CD2-SD 3.92Å; F193-M286 HydrophobicContact CE2-CB 4.48Å; F193-M286 HydrophobicContact CE2-CG 3.99Å; F193-M286 HydrophobicContact CE2-SD 4.05Å; F193-M286 PolarHBondContact N-O 2.9Å; S198-M286 WeakPolarHBondContact O-CE 3.47Å; Y201-M286 HydrophobicContact CD2-SD 4.33Å; A202-M286 HydrophobicContact CB-CE 4.22Å; L282-M286 HydrophobicContact CD1-CG 4.42Å; L282-M286 HydrophobicContact CD2-CE 4.46Å; L282-M286 HydrophobicContact CG-CE 4.07Å; L282-M286 HydrophobicContact CG-SD 4.39Å; L282-M286 WeakPolarHBondContact O-CG 3.42Å; L282-M286 PolarHBondContact O-N 2.86Å; I283-M286 HydrophobicContact CG1-CE 4.3Å
287	A	98.5	Very high	97.6	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-76.5	-25	-175	0	0	0	0	0	113.9	I283 Y284 L320	I283-A287 WeakPolarHBondContact O-CB 3.48Å; I283-A287 PolarHBondContact O-N 3.38Å; I283-A287 VanDerWaalsContact O-N 3.09Å; Y284-A287 PolarHBondContact O-N 3.03Å; A287-L320 HydrophobicContact CB-CD2 3.77Å
288	C	98.2	Very high	97.4	Very high	9 Å²	9	29.8 Å²	29.8	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-105.8	-23.1	-176.3	-59.1	0	0	0	0	113.7	Y284 Y290	Y284-C288 HydrophobicContact CD1-CB 3.96Å; Y284-C288 HydrophobicContact CE1-CB 3.67Å; Y284-C288 WeakPolarHBondContact O-CB 3.45Å; Y284-C288 PolarHBondContact O-N 3.27Å; Y284-C288 PolarHBondContact O-SG 2.95Å; C288-Y290 HydrophobicContact CB-CD1 4.27Å; C288-Y290 HydrophobicContact CB-CE1 3.99Å; C288-Y290 HydrophobicContact CB-CE2 4.48Å; C288-Y290 VanDerWaalsContact O-CD1 3.25Å; C288-Y290 WeakPolarHBondContact O-CD1 3.28Å; C288-Y290 WeakPolarHBondContact O-CE1 3.45Å
289	G	97.7	Very high	97.2	Very high	11 Å²	11	34.4 Å²	34.4	11%	0.113	18%	0.179	C	C	.	.	S	Bend	trans	86	0.9	-174.6	0	0	0	0	0	115.2	R188 G191 E285	R188-G289 PolarHBondContact NH1-O 3.38Å; G191-G289 WeakPolarHBondContact O-CA 3.22Å; E285-G289 VanDerWaalsContact O-CA 3.24Å; E285-G289 WeakPolarHBondContact O-CA 3.18Å; E285-G289 PolarHBondContact O-N 3.13Å
290	Y	97.1	Very high	97.1	Very high	88 Å²	88	38.3 Å²	38.3	35%	0.345	20%	0.197	S	C	.	.	S	Bend	trans	-154.5	150.6	-179.6	58.3	-90.8	0	0	0	109.8	Y284 E285 C288 F294 P313	Y284-Y290 WeakPolarHBondContact CD1-O 3.25Å; Y284-Y290 HydrophobicContact CE1-CD2 4.06Å; Y284-Y290 AromaticContact CE1-CE2 3.8Å; Y284-Y290 HydrophobicContact CE1-CE2 3.8Å; Y284-Y290 VanDerWaalsContact CE1-O 3.22Å; Y284-Y290 WeakPolarHBondContact CE1-O 3.2Å; E285-Y290 WeakPolarHBondContact CA-O 3.29Å; C288-Y290 HydrophobicContact CB-CD1 4.27Å; C288-Y290 HydrophobicContact CB-CE1 3.99Å; C288-Y290 HydrophobicContact CB-CE2 4.48Å; C288-Y290 VanDerWaalsContact O-CD1 3.25Å; C288-Y290 WeakPolarHBondContact O-CD1 3.28Å; C288-Y290 WeakPolarHBondContact O-CE1 3.45Å; Y290-F294 HydrophobicContact CD2-CD1 4.22Å; Y290-F294 AromaticContact CD2-CE1 3.79Å; Y290-F294 HydrophobicContact CD2-CE1 3.79Å; Y290-F294 HydrophobicContact CE2-CE1 4.14Å; Y290-P313 VanDerWaalsContact OH-CG 3.31Å; Y290-P313 WeakPolarHBondContact OH-CG 3.47Å
291	P	97.6	Very high	97	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.104	20%	0.198	C	C	.	.			trans	-69.2	155.4	-179.9	26.9	-33.4	0	0	0	111.8	E258 I281 F293 F294	E258-P291 HydrophobicContact CB-CB 4.38Å; E258-P291 HydrophobicContact CB-CG 4.48Å; E258-P291 HydrophobicContact CG-CG 4.22Å; I281-P291 HydrophobicContact CG2-CB 4.41Å; P291-F293 PolarHBondContact O-N 3.31Å; P291-F294 HydrophobicContact CG-CB 4.23Å; P291-F294 VanDerWaalsContact O-CD1 3.31Å; P291-F294 WeakPolarHBondContact O-CD1 3.37Å
292	P	97.9	Very high	96.9	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.104	21%	0.21	C	C	.	.	S	Bend	trans	-68.7	-24.1	-177.6	25.6	-30.4	0	0	0	113.4	I281 Y284 V310 L328	I281-P292 HydrophobicContact CD1-CG 3.44Å; I281-P292 VanDerWaalsContact CD1-CG 3.44Å; Y284-P292 HydrophobicContact CD1-CB 3.76Å; Y284-P292 VanDerWaalsContact CD1-CD 3.45Å; Y284-P292 HydrophobicContact CD1-CG 4.03Å; Y284-P292 VanDerWaalsContact CD1-N 3.35Å; Y284-P292 HydrophobicContact CD2-CB 3.76Å; Y284-P292 HydrophobicContact CD2-CG 4.33Å; Y284-P292 VanDerWaalsContact CE1-CA 3.45Å; Y284-P292 HydrophobicContact CE1-CB 3.83Å; Y284-P292 HydrophobicContact CE2-CB 3.82Å; Y284-P292 HydrophobicContact CG-CB 3.74Å; Y284-P292 HydrophobicContact CG-CG 3.93Å; P292-V310 HydrophobicContact CB-CG1 4.03Å; P292-L328 HydrophobicContact CB-CD1 4.45Å; P292-L328 HydrophobicContact CG-CD1 4.08Å
293	F	97.6	Very high	96.9	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.018	24%	0.239	C	C	.	.	S	Bend	trans	-124.5	105.8	178.2	-46.9	-69.8	0	0	0	108.7	W277 I281 P291 I301 K304 I305 V310	W277-F293 HydrophobicContact CH2-CE2 4.03Å; W277-F293 HydrophobicContact CH2-CZ 4.24Å; W277-F293 HydrophobicContact CZ2-CD2 4.33Å; W277-F293 AromaticContact CZ2-CE2 3.55Å; W277-F293 HydrophobicContact CZ2-CE2 3.55Å; W277-F293 HydrophobicContact CZ2-CZ 4.2Å; I281-F293 HydrophobicContact CD1-CD2 3.73Å; I281-F293 HydrophobicContact CD1-CE2 3.76Å; P291-F293 PolarHBondContact O-N 3.31Å; F293-I301 HydrophobicContact CB-CG2 4.38Å; F293-K304 HydrophobicContact CB-CB 4.34Å; F293-K304 HydrophobicContact CD1-CB 3.97Å; F293-I305 HydrophobicContact CB-CG1 3.79Å; F293-I305 HydrophobicContact CD1-CG1 4.46Å; F293-I305 HydrophobicContact CD2-CG1 3.58Å; F293-I305 HydrophobicContact CE2-CG1 4.25Å; F293-I305 HydrophobicContact CG-CG1 3.69Å; F293-V310 HydrophobicContact CE1-CG2 3.98Å; F293-V310 HydrophobicContact CE2-CG2 4.35Å; F293-V310 HydrophobicContact CZ-CG2 3.51Å
294	F	94	Very high	96.8	Very high	114 Å²	114	52 Å²	52	50%	0.5	26%	0.258	S	S	.	.			trans	-135.7	148.9	175.7	62.4	-83.1	0	0	0	109.9	Y290 P291 K304	Y290-F294 HydrophobicContact CD2-CD1 4.22Å; Y290-F294 AromaticContact CD2-CE1 3.79Å; Y290-F294 HydrophobicContact CD2-CE1 3.79Å; Y290-F294 HydrophobicContact CE2-CE1 4.14Å; P291-F294 HydrophobicContact CG-CB 4.23Å; P291-F294 VanDerWaalsContact O-CD1 3.31Å; P291-F294 WeakPolarHBondContact O-CD1 3.37Å; F294-K304 PolarHBondContact O-NZ 3.36Å
295	A	95.5	Very high	96.7	Very high	22 Å²	22	51.7 Å²	51.7	18%	0.182	26%	0.257	C	S	.	.			trans	-164	169.1	175.3	0	0	0	0	0	108.8	Q297 E300 I301	A295-Q297 VanDerWaalsContact C-N 3.34Å; A295-E300 HydrophobicContact CB-CB 3.47Å; A295-E300 VanDerWaalsContact CB-CB 3.47Å; A295-I301 HydrophobicContact CB-CG1 3.77Å
296	D	94.2	Very high	96.6	Very high	152 Å²	152	54.1 Å²	54.1	81%	0.813	27%	0.272	S	S	*	.	S	Bend	trans	-74	-28.5	-178.2	-62.9	-25.6	0	0	0	112.4
297	Q	94.5	Very high	96.5	Very high	110 Å²	110	57.1 Å²	57.1	51%	0.514	30%	0.296	S	S	.	.	S	Bend	trans	-116.6	136.5	-179.6	-63.6	-59.6	-53.5	0	0	111	A295 I299 E300 I301	A295-Q297 VanDerWaalsContact C-N 3.34Å; Q297-I299 HydrophobicContact CB-CG2 4.11Å; Q297-I299 PolarHBondContact O-N 3.37Å; Q297-I299 VanDerWaalsContact O-N 3.08Å; Q297-E300 HydrophobicContact CB-CG 4.38Å; Q297-E300 WeakPolarHBondContact O-CB 3.33Å; Q297-E300 PolarHBondContact O-N 2.98Å; Q297-I301 PolarHBondContact O-N 2.88Å
298	P	93.6	Very high	96.3	Very high	60 Å²	60	58 Å²	58	39%	0.39	31%	0.307	S	S	.	.	H	α-helix	trans	-53.4	-34.3	179.4	-29.5	35.4	0	0	0	114.3	E300 I301 Y302	P298-E300 VanDerWaalsContact C-N 3.32Å; P298-E300 PolarHBondContact O-N 3.27Å; P298-I301 WeakPolarHBondContact O-CB 3.37Å; P298-I301 PolarHBondContact O-N 2.78Å; P298-Y302 HydrophobicContact CB-CE2 4.19Å; P298-Y302 WeakPolarHBondContact O-CD1 3.36Å; P298-Y302 WeakPolarHBondContact O-CD2 3.41Å; P298-Y302 PolarHBondContact O-N 2.99Å
299	I	95.1	Very high	96.2	Very high	104 Å²	104	66 Å²	66	53%	0.533	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-38.7	178.9	-168.6	61	0	0	0	112.6	Q297 I301 Y302 E303	Q297-I299 HydrophobicContact CB-CG2 4.11Å; Q297-I299 PolarHBondContact O-N 3.37Å; Q297-I299 VanDerWaalsContact O-N 3.08Å; I299-I301 VanDerWaalsContact C-N 3.35Å; I299-Y302 HydrophobicContact CD1-CD2 4.37Å; I299-Y302 WeakPolarHBondContact O-CB 3.4Å; I299-Y302 PolarHBondContact O-N 2.96Å; I299-E303 WeakPolarHBondContact O-CG 3.38Å; I299-E303 PolarHBondContact O-N 3.13Å
300	E	96.9	Very high	96.1	Very high	81 Å²	81	67 Å²	67	38%	0.379	34%	0.344	S	S	.	.	H	α-helix	trans	-71.1	-33.5	178	-64.6	177	-155.7	0	0	111.4	A295 Q297 P298 Y302 K304	A295-E300 HydrophobicContact CB-CB 3.47Å; A295-E300 VanDerWaalsContact CB-CB 3.47Å; Q297-E300 HydrophobicContact CB-CG 4.38Å; Q297-E300 WeakPolarHBondContact O-CB 3.33Å; Q297-E300 PolarHBondContact O-N 2.98Å; P298-E300 VanDerWaalsContact C-N 3.32Å; P298-E300 PolarHBondContact O-N 3.27Å; E300-Y302 VanDerWaalsContact C-N 3.33Å; E300-K304 WeakPolarHBondContact O-CG 3.31Å; E300-K304 PolarHBondContact O-N 3.48Å; E300-K304 VanDerWaalsContact O-N 3.14Å
301	I	97	Very high	96.1	Very high	4 Å²	4	73 Å²	73	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-60.9	-47.5	171.8	-57	178.9	0	0	0	109.1	P257 E258 F293 A295 Q297 P298 I299 E303 K304 I305	P257-I301 HydrophobicContact CB-CD1 4.47Å; E258-I301 HydrophobicContact CG-CD1 4.19Å; F293-I301 HydrophobicContact CB-CG2 4.38Å; A295-I301 HydrophobicContact CB-CG1 3.77Å; Q297-I301 PolarHBondContact O-N 2.88Å; P298-I301 WeakPolarHBondContact O-CB 3.37Å; P298-I301 PolarHBondContact O-N 2.78Å; I299-I301 VanDerWaalsContact C-N 3.35Å; I301-E303 PolarHBondContact O-N 2.98Å; I301-K304 PolarHBondContact O-N 2.85Å; I301-I305 HydrophobicContact CG2-CD1 3.75Å; I301-I305 HydrophobicContact CG2-CG1 4.37Å; I301-I305 WeakPolarHBondContact O-CG1 3.48Å; I301-I305 PolarHBondContact O-N 3.39Å
302	Y	96.8	Very high	96	Very high	61 Å²	61	74.5 Å²	74.5	24%	0.239	37%	0.371	C	S	.	.	H	α-helix	trans	-61.4	-42.5	-179.9	-59.3	-22.1	0	0	0	112.8	P257 L260 I265 P298 I299 E300 K304 I305 V306	P257-Y302 HydrophobicContact CB-CE1 3.87Å; L260-Y302 HydrophobicContact CD1-CE1 3.84Å; I265-Y302 HydrophobicContact CD1-CD1 3.74Å; I265-Y302 HydrophobicContact CD1-CG 4.2Å; I265-Y302 HydrophobicContact CG1-CD1 3.98Å; I265-Y302 HydrophobicContact CG1-CG 4.31Å; I265-Y302 HydrophobicContact CG2-CG 4.18Å; P298-Y302 HydrophobicContact CB-CE2 4.19Å; P298-Y302 WeakPolarHBondContact O-CD1 3.36Å; P298-Y302 WeakPolarHBondContact O-CD2 3.41Å; P298-Y302 PolarHBondContact O-N 2.99Å; I299-Y302 HydrophobicContact CD1-CD2 4.37Å; I299-Y302 WeakPolarHBondContact O-CB 3.4Å; I299-Y302 PolarHBondContact O-N 2.96Å; E300-Y302 VanDerWaalsContact C-N 3.33Å; Y302-K304 VanDerWaalsContact C-N 3.33Å; Y302-K304 PolarHBondContact O-N 2.93Å; Y302-I305 PolarHBondContact O-N 2.65Å; Y302-V306 WeakPolarHBondContact O-CG2 3.3Å; Y302-V306 PolarHBondContact O-N 3.32Å
303	E	97	Very high	96	Very high	130 Å²	130	74.9 Å²	74.9	61%	0.607	37%	0.373	S	S	*	.	H	α-helix	trans	-59.6	-43.3	174.9	-71.9	177.5	172.5	0	0	111.9	I299 I301 A307	I299-E303 WeakPolarHBondContact O-CG 3.38Å; I299-E303 PolarHBondContact O-N 3.13Å; I301-E303 PolarHBondContact O-N 2.98Å; E303-A307 WeakPolarHBondContact O-CB 3.33Å; E303-A307 PolarHBondContact O-N 2.85Å
304	K	97.5	Very high	96	Very high	92 Å²	92	78.4 Å²	78.4	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-65.2	-42.6	177.2	-70.7	175.1	-172.4	-179.9	0	112.2	F293 F294 E300 I301 Y302 A307 G308	F293-K304 HydrophobicContact CB-CB 4.34Å; F293-K304 HydrophobicContact CD1-CB 3.97Å; F294-K304 PolarHBondContact O-NZ 3.36Å; E300-K304 WeakPolarHBondContact O-CG 3.31Å; E300-K304 PolarHBondContact O-N 3.48Å; E300-K304 VanDerWaalsContact O-N 3.14Å; I301-K304 PolarHBondContact O-N 2.85Å; Y302-K304 VanDerWaalsContact C-N 3.33Å; Y302-K304 PolarHBondContact O-N 2.93Å; K304-A307 PolarHBondContact O-N 3.19Å; K304-G308 PolarHBondContact O-N 3.28Å; K304-G308 VanDerWaalsContact O-N 3.13Å
305	I	97.5	Very high	96.1	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-60.5	-50.3	177.6	-73	168.4	0	0	0	110.5	P257 P262 I265 W277 F293 I301 Y302 A307 G308	P257-I305 WeakPolarHBondContact O-CD1 3.39Å; P262-I305 HydrophobicContact CB-CG2 4.29Å; P262-I305 HydrophobicContact CG-CG2 3.75Å; I265-I305 HydrophobicContact CD1-CB 3.81Å; I265-I305 HydrophobicContact CD1-CD1 3.82Å; I265-I305 HydrophobicContact CD1-CG1 4.43Å; I265-I305 HydrophobicContact CD1-CG2 3.48Å; I265-I305 VanDerWaalsContact CD1-CG2 3.48Å; W277-I305 HydrophobicContact CH2-CG2 4.31Å; W277-I305 HydrophobicContact CZ2-CG2 3.73Å; F293-I305 HydrophobicContact CB-CG1 3.79Å; F293-I305 HydrophobicContact CD1-CG1 4.46Å; F293-I305 HydrophobicContact CD2-CG1 3.58Å; F293-I305 HydrophobicContact CE2-CG1 4.25Å; F293-I305 HydrophobicContact CG-CG1 3.69Å; I301-I305 HydrophobicContact CG2-CD1 3.75Å; I301-I305 HydrophobicContact CG2-CG1 4.37Å; I301-I305 WeakPolarHBondContact O-CG1 3.48Å; I301-I305 PolarHBondContact O-N 3.39Å; Y302-I305 PolarHBondContact O-N 2.65Å; I305-A307 VanDerWaalsContact C-N 3.28Å; I305-A307 PolarHBondContact O-N 3.49Å; I305-G308 PolarHBondContact O-N 3.06Å
306	V	96.6	Very high	96.2	Very high	59 Å²	59	76.9 Å²	76.9	36%	0.358	40%	0.402	S	S	.	.	H	α-helix	trans	-64.8	-34.3	-179.6	173.9	0	0	0	0	111.5	I265 L266 Y302 G308	I265-V306 HydrophobicContact CB-CG2 4.43Å; I265-V306 HydrophobicContact CG2-CG2 3.93Å; L266-V306 HydrophobicContact CD1-CG1 4.46Å; L266-V306 HydrophobicContact CD2-CG1 4.26Å; L266-V306 HydrophobicContact CD2-CG2 4.17Å; L266-V306 HydrophobicContact CG-CG2 4.18Å; Y302-V306 WeakPolarHBondContact O-CG2 3.3Å; Y302-V306 PolarHBondContact O-N 3.32Å; V306-G308 VanDerWaalsContact C-N 3.28Å; V306-G308 PolarHBondContact O-N 3.35Å
307	A	96.4	Very high	96.5	Very high	62 Å²	62	71.5 Å²	71.5	51%	0.512	38%	0.376	S	S	.	.	H	α-helix	trans	-67.2	-26.3	174.3	0	0	0	0	0	113.4	E303 K304 I305 K309	E303-A307 WeakPolarHBondContact O-CB 3.33Å; E303-A307 PolarHBondContact O-N 2.85Å; K304-A307 PolarHBondContact O-N 3.19Å; I305-A307 VanDerWaalsContact C-N 3.28Å; I305-A307 PolarHBondContact O-N 3.49Å; A307-K309 VanDerWaalsContact C-N 3.25Å; A307-K309 PolarHBondContact O-N 2.98Å
308	G	94.2	Very high	96.6	Very high	24 Å²	24	70.5 Å²	70.5	25%	0.247	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	16.7	173.7	0	0	0	0	0	115.7	K304 I305 V306 V310	K304-G308 PolarHBondContact O-N 3.28Å; K304-G308 VanDerWaalsContact O-N 3.13Å; I305-G308 PolarHBondContact O-N 3.06Å; V306-G308 VanDerWaalsContact C-N 3.28Å; V306-G308 PolarHBondContact O-N 3.35Å; G308-V310 PolarHBondContact O-N 3.35Å
309	K	94.9	Very high	96.9	Very high	177 Å²	177	70.5 Å²	70.5	77%	0.77	38%	0.378	S	S	*	.			trans	-91.2	85.8	-175	-65.5	-175.8	-176.8	174.7	0	111.4	A307	A307-K309 VanDerWaalsContact C-N 3.25Å; A307-K309 PolarHBondContact O-N 2.98Å
310	V	96.2	Very high	97	Very high	32 Å²	32	65.6 Å²	65.6	19%	0.194	35%	0.353	C	S	.	.			trans	-80.8	130.9	176.6	-174.5	0	0	0	0	111.1	Y284 P292 F293 G308 F312 L328	Y284-V310 HydrophobicContact CD2-CG1 4.04Å; Y284-V310 HydrophobicContact CE2-CG1 3.7Å; P292-V310 HydrophobicContact CB-CG1 4.03Å; F293-V310 HydrophobicContact CE1-CG2 3.98Å; F293-V310 HydrophobicContact CE2-CG2 4.35Å; F293-V310 HydrophobicContact CZ-CG2 3.51Å; G308-V310 PolarHBondContact O-N 3.35Å; V310-F312 HydrophobicContact CB-CE2 4.29Å; V310-F312 HydrophobicContact CB-CZ 4.09Å; V310-F312 HydrophobicContact CG1-CD1 4.26Å; V310-F312 HydrophobicContact CG1-CE1 3.69Å; V310-F312 HydrophobicContact CG1-CE2 4.02Å; V310-F312 HydrophobicContact CG1-CZ 3.56Å; V310-L328 HydrophobicContact CG1-CD1 4.36Å; V310-L328 HydrophobicContact CG2-CB 4.23Å; V310-L328 HydrophobicContact CG2-CD1 3.82Å
311	R	96	Very high	97.1	Very high	214 Å²	214	64.4 Å²	64.4	81%	0.808	35%	0.346	S	S	*	.			trans	-105.2	137	171.1	-64.2	-174.5	-178.6	-154.7	1.5	109.8	Y284	Y284-R311 WeakPolarHBondContact CE2-O 3.33Å; Y284-R311 PolarHBondContact OH-O 3.44Å
312	F	97.5	Very high	97.2	Very high	46 Å²	46	67.5 Å²	67.5	20%	0.202	36%	0.363	C	S	.	.			trans	-113.2	132.6	-178.2	-60.1	-79.1	0	0	0	110.8	Y284 V310 V316 K321 L324 K325	Y284-F312 HydrophobicContact CD2-CD1 4.23Å; Y284-F312 HydrophobicContact CD2-CE1 4.09Å; Y284-F312 AromaticContact CE2-CD1 3.93Å; Y284-F312 HydrophobicContact CE2-CD1 3.93Å; Y284-F312 HydrophobicContact CE2-CE1 4.14Å; V310-F312 HydrophobicContact CB-CE2 4.29Å; V310-F312 HydrophobicContact CB-CZ 4.09Å; V310-F312 HydrophobicContact CG1-CD1 4.26Å; V310-F312 HydrophobicContact CG1-CE1 3.69Å; V310-F312 HydrophobicContact CG1-CE2 4.02Å; V310-F312 HydrophobicContact CG1-CZ 3.56Å; F312-V316 HydrophobicContact CD1-CG1 4.43Å; F312-K321 HydrophobicContact CB-CD 4.17Å; F312-K321 HydrophobicContact CB-CG 3.94Å; F312-K321 HydrophobicContact CD1-CG 3.99Å; F312-K321 HydrophobicContact CD2-CG 4.04Å; F312-K321 HydrophobicContact CG-CD 4.39Å; F312-K321 HydrophobicContact CG-CG 3.72Å; F312-L324 HydrophobicContact CD1-CD1 4.25Å; F312-L324 HydrophobicContact CE1-CB 3.74Å; F312-L324 HydrophobicContact CE1-CD1 3.66Å; F312-L324 HydrophobicContact CE1-CG 4.36Å; F312-L324 HydrophobicContact CZ-CB 4.01Å; F312-K325 HydrophobicContact CE2-CG 4.19Å; F312-K325 HydrophobicContact CZ-CG 4.23Å
313	P	96.7	Very high	97.3	Very high	24 Å²	24	64.6 Å²	64.6	16%	0.156	35%	0.352	C	S	.	.			trans	-56.9	158.6	168.9	-26.5	35.6	0	0	0	113.3	Y290 H315 V316 K321	Y290-P313 VanDerWaalsContact OH-CG 3.31Å; Y290-P313 WeakPolarHBondContact OH-CG 3.47Å; P313-H315 WeakPolarHBondContact CB-CE1 3.41Å; P313-H315 WeakPolarHBondContact CB-ND1 3.23Å; P313-H315 PolarHBondContact O-N 3.19Å; P313-V316 HydrophobicContact CB-CG2 4.19Å; P313-V316 HydrophobicContact CG-CG2 4.29Å; P313-V316 PolarHBondContact O-N 3.47Å; P313-K321 PolarHBondContact O-NZ 2.95Å
314	G	97.1	Very high	97.4	Very high	79 Å²	79	58.4 Å²	58.4	81%	0.814	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.7	-180	0	0	0	0	0	114	V316	G314-V316 VanDerWaalsContact C-N 3.34Å; G314-V316 PolarHBondContact O-N 3Å
315	H	97.3	Very high	97.4	Very high	101 Å²	101	60 Å²	60	47%	0.468	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.2	-177.4	63.3	-96.2	0	0	0	114.5	K192 P313	K192-H315 PolarHBondContact NZ-CD2 2.89Å; K192-H315 VanDerWaalsContact NZ-CD2 3.3Å; K192-H315 PolarHBondContact NZ-CE1 3.36Å; K192-H315 PolarHBondContact NZ-NE2 3.34Å; P313-H315 WeakPolarHBondContact CB-CE1 3.41Å; P313-H315 WeakPolarHBondContact CB-ND1 3.23Å; P313-H315 PolarHBondContact O-N 3.19Å
316	V	98.2	Very high	97.5	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.018	34%	0.341	C	S	.	.	S	Bend	trans	-74.1	127.3	179.7	-179.9	0	0	0	0	109.5	F312 P313 G314 L320 K321	F312-V316 HydrophobicContact CD1-CG1 4.43Å; P313-V316 HydrophobicContact CB-CG2 4.19Å; P313-V316 HydrophobicContact CG-CG2 4.29Å; P313-V316 PolarHBondContact O-N 3.47Å; G314-V316 VanDerWaalsContact C-N 3.34Å; G314-V316 PolarHBondContact O-N 3Å; V316-L320 HydrophobicContact CG1-CB 3.89Å; V316-L320 HydrophobicContact CG1-CD2 3.76Å; V316-L320 HydrophobicContact CG1-CG 3.72Å; V316-K321 HydrophobicContact CB-CG 4.35Å; V316-K321 HydrophobicContact CG1-CG 3.76Å; V316-K321 WeakPolarHBondContact O-CE 3.32Å; V316-K321 PolarHBondContact O-NZ 2.96Å
317	S	98.4	Very high	97.6	Very high	38 Å²	38	59.7 Å²	59.7	27%	0.266	32%	0.324	S	S	.	.			trans	-62.1	158.5	-177.3	73.3	0	0	0	0	112.7	E195 D319 L320 K321	E195-S317 VanDerWaalsContact OE1-CB 3.29Å; E195-S317 WeakPolarHBondContact OE1-CB 3.45Å; E195-S317 PolarHBondContact OE1-N 3.17Å; E195-S317 PolarHBondContact OE1-OG 3.2Å; E195-S317 WeakPolarHBondContact OE2-CB 3.31Å; E195-S317 PolarHBondContact OE2-OG 2.91Å; S317-D319 VanDerWaalsContact C-N 3.26Å; S317-D319 PolarHBondContact O-N 3.05Å; S317-L320 PolarHBondContact O-N 3.01Å; S317-L320 VanDerWaalsContact OG-CB 3.28Å; S317-L320 WeakPolarHBondContact OG-CB 3.45Å; S317-L320 PolarHBondContact OG-N 3.35Å; S317-L320 VanDerWaalsContact OG-N 3.07Å; S317-K321 WeakPolarHBondContact O-CB 3.44Å; S317-K321 VanDerWaalsContact O-CG 3.3Å; S317-K321 WeakPolarHBondContact O-CG 3.3Å; S317-K321 PolarHBondContact O-N 3.41Å
318	S	98.4	Very high	97.7	Very high	90 Å²	90	57.1 Å²	57.1	63%	0.629	30%	0.302	S	S	*	.	H	α-helix	trans	-62	-36.8	175.9	51	0	0	0	0	112.2	N322	S318-N322 WeakPolarHBondContact O-CB 3.35Å; S318-N322 PolarHBondContact O-N 2.91Å
319	D	98.6	Very high	97.8	Very high	60 Å²	60	58.4 Å²	58.4	32%	0.321	30%	0.301	S	S	.	.	H	α-helix	trans	-70.8	-44.4	-180	-67.4	-20.4	0	0	0	110.5	S317 K321 N322 L323 H349 K350 W351	S317-D319 VanDerWaalsContact C-N 3.26Å; S317-D319 PolarHBondContact O-N 3.05Å; D319-K321 PolarHBondContact O-N 3.4Å; D319-N322 WeakPolarHBondContact O-CB 3.42Å; D319-N322 PolarHBondContact O-N 3.48Å; D319-N322 VanDerWaalsContact O-N 3.11Å; D319-L323 PolarHBondContact O-N 3Å; D319-H349 PolarHBondContact O-CE1 2.82Å; D319-K350 HydrophobicContact CB-CB 4.41Å; D319-W351 HydrophobicContact CB-CB 4.07Å
320	L	98.8	Very high	97.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-44.2	175.4	-178.6	48.8	0	0	0	111.9	E195 I283 A287 V316 S317 N322 L323 L324 W351	E195-L320 VanDerWaalsContact CD-CD2 3.47Å; E195-L320 HydrophobicContact CG-CD2 3.74Å; E195-L320 WeakPolarHBondContact OE2-CB 3.19Å; I283-L320 HydrophobicContact CG2-CD1 3.52Å; A287-L320 HydrophobicContact CB-CD2 3.77Å; V316-L320 HydrophobicContact CG1-CB 3.89Å; V316-L320 HydrophobicContact CG1-CD2 3.76Å; V316-L320 HydrophobicContact CG1-CG 3.72Å; S317-L320 PolarHBondContact O-N 3.01Å; S317-L320 VanDerWaalsContact OG-CB 3.28Å; S317-L320 WeakPolarHBondContact OG-CB 3.45Å; S317-L320 PolarHBondContact OG-N 3.35Å; S317-L320 VanDerWaalsContact OG-N 3.07Å; L320-N322 PolarHBondContact O-N 3.25Å; L320-L323 PolarHBondContact O-N 3.41Å; L320-L324 HydrophobicContact CD1-CD1 3.71Å; L320-L324 HydrophobicContact CD1-CD2 4.45Å; L320-L324 HydrophobicContact CD1-CG 3.77Å; L320-L324 HydrophobicContact CG-CD1 3.81Å; L320-L324 HydrophobicContact CG-CG 4.33Å; L320-L324 WeakPolarHBondContact O-CB 3.41Å; L320-L324 WeakPolarHBondContact O-CG 3.38Å; L320-L324 PolarHBondContact O-N 2.95Å; L320-W351 HydrophobicContact CB-CG 4.34Å; L320-W351 HydrophobicContact CD1-CD2 4.09Å; L320-W351 HydrophobicContact CD1-CG 4.47Å; L320-W351 HydrophobicContact CD1-CH2 4.42Å; L320-W351 HydrophobicContact CD1-CZ2 3.92Å; L320-W351 HydrophobicContact CD2-CZ2 4.28Å
321	K	98.6	Very high	97.9	Very high	56 Å²	56	53.8 Å²	53.8	24%	0.243	29%	0.287	C	S	.	.	H	α-helix	trans	-56.6	-38.4	173.1	-77.4	168.9	176	146.8	0	112	F312 P313 V316 S317 D319 K325	F312-K321 HydrophobicContact CB-CD 4.17Å; F312-K321 HydrophobicContact CB-CG 3.94Å; F312-K321 HydrophobicContact CD1-CG 3.99Å; F312-K321 HydrophobicContact CD2-CG 4.04Å; F312-K321 HydrophobicContact CG-CD 4.39Å; F312-K321 HydrophobicContact CG-CG 3.72Å; P313-K321 PolarHBondContact O-NZ 2.95Å; V316-K321 HydrophobicContact CB-CG 4.35Å; V316-K321 HydrophobicContact CG1-CG 3.76Å; V316-K321 WeakPolarHBondContact O-CE 3.32Å; V316-K321 PolarHBondContact O-NZ 2.96Å; S317-K321 WeakPolarHBondContact O-CB 3.44Å; S317-K321 VanDerWaalsContact O-CG 3.3Å; S317-K321 WeakPolarHBondContact O-CG 3.3Å; S317-K321 PolarHBondContact O-N 3.41Å; D319-K321 PolarHBondContact O-N 3.4Å; K321-K325 VanDerWaalsContact O-CG 3.24Å; K321-K325 WeakPolarHBondContact O-CG 3.14Å; K321-K325 PolarHBondContact O-N 3.02Å
322	N	98.6	Very high	97.9	Very high	70 Å²	70	45.9 Å²	45.9	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-67.3	-51.7	178.1	-165.9	-84.5	0	0	0	110.8	S318 D319 L320 L324 K325 Q326 H349	S318-N322 WeakPolarHBondContact O-CB 3.35Å; S318-N322 PolarHBondContact O-N 2.91Å; D319-N322 WeakPolarHBondContact O-CB 3.42Å; D319-N322 PolarHBondContact O-N 3.48Å; D319-N322 VanDerWaalsContact O-N 3.11Å; L320-N322 PolarHBondContact O-N 3.25Å; N322-L324 PolarHBondContact O-N 3.45Å; N322-K325 WeakPolarHBondContact O-CB 3.43Å; N322-K325 PolarHBondContact O-N 3.03Å; N322-K325 VanDerWaalsContact O-N 3.13Å; N322-Q326 WeakPolarHBondContact O-CG 3.31Å; N322-Q326 PolarHBondContact O-N 3.24Å; N322-H349 PolarHBondContact OD1-NE2 3.48Å; N322-H349 VanDerWaalsContact OD1-NE2 3.17Å
323	L	98.8	Very high	97.7	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-54.3	-50.7	178	179.1	60.1	0	0	0	111.7	I283 D319 L320 K325 Q326 L327 Y336 I346 H349 W351 F352	I283-L323 HydrophobicContact CD1-CD2 4.28Å; D319-L323 PolarHBondContact O-N 3Å; L320-L323 PolarHBondContact O-N 3.41Å; L323-K325 VanDerWaalsContact C-N 3.27Å; L323-K325 PolarHBondContact O-N 2.93Å; L323-Q326 WeakPolarHBondContact O-CB 3.42Å; L323-Q326 PolarHBondContact O-N 2.75Å; L323-L327 HydrophobicContact CD1-CD1 3.96Å; L323-L327 HydrophobicContact CD1-CG 4.18Å; L323-L327 HydrophobicContact CD2-CD1 4.46Å; L323-L327 HydrophobicContact CG-CD1 3.91Å; L323-L327 HydrophobicContact CG-CG 4.47Å; L323-L327 PolarHBondContact O-N 3.22Å; L323-Y336 HydrophobicContact CD1-CD2 4.46Å; L323-I346 HydrophobicContact CD1-CG2 4.48Å; L323-H349 HydrophobicContact CD1-CB 4.16Å; L323-W351 HydrophobicContact CB-CB 4.48Å; L323-W351 HydrophobicContact CD2-CB 4.23Å; L323-W351 HydrophobicContact CD2-CD2 4.02Å; L323-W351 HydrophobicContact CD2-CE3 3.41Å; L323-W351 VanDerWaalsContact CD2-CE3 3.41Å; L323-W351 HydrophobicContact CD2-CG 4.38Å; L323-W351 HydrophobicContact CD2-CZ3 4.04Å; L323-F352 HydrophobicContact CD2-CD2 4.12Å; L323-F352 HydrophobicContact CD2-CE2 3.68Å
324	L	98.8	Very high	97.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-33.1	-178.3	-70.8	173	0	0	0	112.3	G280 I283 Y284 F312 L320 N322 Q326 L328	G280-L324 WeakPolarHBondContact O-CD2 3.35Å; I283-L324 HydrophobicContact CB-CD2 3.99Å; I283-L324 HydrophobicContact CG2-CD2 3.95Å; Y284-L324 HydrophobicContact CD2-CD1 4.08Å; F312-L324 HydrophobicContact CD1-CD1 4.25Å; F312-L324 HydrophobicContact CE1-CB 3.74Å; F312-L324 HydrophobicContact CE1-CD1 3.66Å; F312-L324 HydrophobicContact CE1-CG 4.36Å; F312-L324 HydrophobicContact CZ-CB 4.01Å; L320-L324 HydrophobicContact CD1-CD1 3.71Å; L320-L324 HydrophobicContact CD1-CD2 4.45Å; L320-L324 HydrophobicContact CD1-CG 3.77Å; L320-L324 HydrophobicContact CG-CD1 3.81Å; L320-L324 HydrophobicContact CG-CG 4.33Å; L320-L324 WeakPolarHBondContact O-CB 3.41Å; L320-L324 WeakPolarHBondContact O-CG 3.38Å; L320-L324 PolarHBondContact O-N 2.95Å; N322-L324 PolarHBondContact O-N 3.45Å; L324-Q326 VanDerWaalsContact C-N 3.29Å; L324-Q326 PolarHBondContact O-N 3.18Å; L324-L328 WeakPolarHBondContact O-CA 3.38Å; L324-L328 WeakPolarHBondContact O-CB 3.33Å; L324-L328 WeakPolarHBondContact O-CG 3.44Å; L324-L328 PolarHBondContact O-N 3.32Å
325	K	98.3	Very high	97.9	Very high	124 Å²	124	48.8 Å²	48.8	54%	0.539	26%	0.255	S	S	.	.	H	α-helix	trans	-67.4	-29	173.2	-76.1	172.3	179.5	-178.2	0	113.1	F312 K321 N322 L323	F312-K325 HydrophobicContact CE2-CG 4.19Å; F312-K325 HydrophobicContact CZ-CG 4.23Å; K321-K325 VanDerWaalsContact O-CG 3.24Å; K321-K325 WeakPolarHBondContact O-CG 3.14Å; K321-K325 PolarHBondContact O-N 3.02Å; N322-K325 WeakPolarHBondContact O-CB 3.43Å; N322-K325 PolarHBondContact O-N 3.03Å; N322-K325 VanDerWaalsContact O-N 3.13Å; L323-K325 VanDerWaalsContact C-N 3.27Å; L323-K325 PolarHBondContact O-N 2.93Å
326	Q	98.5	Very high	97.9	Very high	53 Å²	53	46 Å²	46	25%	0.248	24%	0.241	C	C	.	.	H	α-helix	trans	-82.7	-33	178.1	-56.1	-59.6	-17.1	0	0	112.6	N322 L323 L324 Q329 R335 Y336	N322-Q326 WeakPolarHBondContact O-CG 3.31Å; N322-Q326 PolarHBondContact O-N 3.24Å; L323-Q326 WeakPolarHBondContact O-CB 3.42Å; L323-Q326 PolarHBondContact O-N 2.75Å; L324-Q326 VanDerWaalsContact C-N 3.29Å; L324-Q326 PolarHBondContact O-N 3.18Å; Q326-Q329 WeakPolarHBondContact O-CB 3.06Å; Q326-R335 WeakPolarHBondContact O-CA 3.44Å; Q326-Y336 HydrophobicContact CB-CD1 3.54Å; Q326-Y336 HydrophobicContact CB-CD2 3.65Å; Q326-Y336 HydrophobicContact CB-CE1 3.75Å; Q326-Y336 HydrophobicContact CB-CE2 3.85Å; Q326-Y336 HydrophobicContact CB-CG 3.49Å; Q326-Y336 VanDerWaalsContact CB-CG 3.49Å; Q326-Y336 HydrophobicContact CG-CD1 4.07Å; Q326-Y336 HydrophobicContact CG-CD2 4.19Å; Q326-Y336 HydrophobicContact CG-CE1 3.71Å; Q326-Y336 HydrophobicContact CG-CE2 3.84Å; Q326-Y336 HydrophobicContact CG-CG 4.3Å; Q326-Y336 PolarHBondContact O-N 3.39Å; Q326-Y336 VanDerWaalsContact O-N 3.09Å
327	L	98.7	Very high	97.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-79.2	-45.4	174.9	-67.9	173.4	0	0	0	112.2	W276 L279 I283 L323 Q329 R335 I346	W276-L327 HydrophobicContact CB-CD2 4.31Å; L279-L327 HydrophobicContact CD2-CD1 4.39Å; L279-L327 HydrophobicContact CG-CD1 4.39Å; I283-L327 HydrophobicContact CD1-CD1 4.04Å; L323-L327 HydrophobicContact CD1-CD1 3.96Å; L323-L327 HydrophobicContact CD1-CG 4.18Å; L323-L327 HydrophobicContact CD2-CD1 4.46Å; L323-L327 HydrophobicContact CG-CD1 3.91Å; L323-L327 HydrophobicContact CG-CG 4.47Å; L323-L327 PolarHBondContact O-N 3.22Å; L327-Q329 PolarHBondContact O-N 2.86Å; L327-R335 WeakPolarHBondContact O-CD 3.42Å; L327-R335 VanDerWaalsContact O-CG 3.24Å; L327-R335 WeakPolarHBondContact O-CG 3.44Å; L327-R335 PolarHBondContact O-NE 2.85Å; L327-I346 HydrophobicContact CD2-CD1 3.77Å; L327-I346 HydrophobicContact CD2-CG1 4.1Å
328	L	98.6	Very high	97.9	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.047	25%	0.245	C	C	.	.	S	Bend	trans	-83.9	37.7	176.8	-55.6	178.9	0	0	0	111.9	W277 I281 P292 V310 L324	W277-L328 HydrophobicContact CD2-CD2 4.06Å; W277-L328 HydrophobicContact CE3-CD2 4.3Å; W277-L328 HydrophobicContact CZ2-CD2 4.35Å; W277-L328 VanDerWaalsContact CZ3-C 3.44Å; W277-L328 HydrophobicContact CZ3-CB 4.28Å; I281-L328 HydrophobicContact CD1-CD1 4.48Å; I281-L328 HydrophobicContact CD1-CD2 3.52Å; I281-L328 HydrophobicContact CG1-CD2 3.91Å; P292-L328 HydrophobicContact CB-CD1 4.45Å; P292-L328 HydrophobicContact CG-CD1 4.08Å; V310-L328 HydrophobicContact CG1-CD1 4.36Å; V310-L328 HydrophobicContact CG2-CB 4.23Å; V310-L328 HydrophobicContact CG2-CD1 3.82Å; L324-L328 WeakPolarHBondContact O-CA 3.38Å; L324-L328 WeakPolarHBondContact O-CB 3.33Å; L324-L328 WeakPolarHBondContact O-CG 3.44Å; L324-L328 PolarHBondContact O-N 3.32Å
329	Q	97.9	Very high	97.8	Very high	50 Å²	50	45.2 Å²	45.2	23%	0.234	23%	0.23	C	C	.	.			trans	-84.3	120	176	177.6	54.7	-108.5	0	0	109.6	Q326 L327 D331 K334 R335	Q326-Q329 WeakPolarHBondContact O-CB 3.06Å; L327-Q329 PolarHBondContact O-N 2.86Å; Q329-D331 VanDerWaalsContact C-N 3.34Å; Q329-D331 HydrophobicContact CG-CB 4.4Å; Q329-D331 VanDerWaalsContact CG-O 3.31Å; Q329-D331 WeakPolarHBondContact CG-O 3.43Å; Q329-K334 HydrophobicContact CG-CB 3.72Å; Q329-R335 HydrophobicContact CB-CB 4.14Å; Q329-R335 HydrophobicContact CB-CG 4.32Å; Q329-R335 PolarHBondContact O-NE 3Å; Q329-R335 PolarHBondContact O-NH2 3.41Å
330	T	96.9	Very high	97.7	Very high	59 Å²	59	52.3 Å²	52.3	36%	0.362	26%	0.257	S	S	.	.	S	Bend	trans	-71.1	-31	-178.3	51.4	0	0	0	0	112.4	P262 W277 L332	P262-T330 HydrophobicContact CG-CG2 3.95Å; W277-T330 HydrophobicContact CH2-CG2 4.3Å; W277-T330 HydrophobicContact CZ3-CG2 4.27Å; T330-L332 PolarHBondContact O-N 2.86Å
331	D	95.8	Very high	97.6	Very high	54 Å²	54	56.7 Å²	56.7	29%	0.289	28%	0.281	S	S	.	.	S	Bend	trans	-78.7	98.3	170.4	-175.5	-8.1	0	0	0	110	Q329 T333 K334 R335	Q329-D331 VanDerWaalsContact C-N 3.34Å; Q329-D331 HydrophobicContact CG-CB 4.4Å; Q329-D331 VanDerWaalsContact CG-O 3.31Å; Q329-D331 WeakPolarHBondContact CG-O 3.43Å; D331-T333 VanDerWaalsContact CG-OG1 3.3Å; D331-T333 PolarHBondContact O-N 2.97Å; D331-T333 WeakPolarHBondContact OD1-CB 3.32Å; D331-T333 PolarHBondContact OD1-N 2.81Å; D331-T333 VanDerWaalsContact OD1-N 3.12Å; D331-T333 PolarHBondContact OD1-OG1 3.44Å; D331-T333 PolarHBondContact OD2-OG1 3Å; D331-K334 HydrophobicContact CB-CB 4.48Å; D331-K334 HydrophobicContact CB-CD 4.28Å; D331-K334 PolarHBondContact O-N 3.3Å; D331-K334 WeakPolarHBondContact OD2-CD 3.49Å; D331-K334 VanDerWaalsContact OD2-CE 3.25Å; D331-K334 WeakPolarHBondContact OD2-CE 3.2Å; D331-K334 IonicContact OD2-NZ 2.78Å; D331-K334 PolarHBondContact OD2-NZ 3.44Å; D331-R335 PolarHBondContact O-N 3.3Å
332	L	94.5	Very high	97.6	Very high	48 Å²	48	55 Å²	55	25%	0.251	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-53.1	-24.5	-178.6	69.3	87.2	0	0	0	113.8	E263 T330 K334 R335 N338	E263-L332 HydrophobicContact CB-CD2 4.38Å; T330-L332 PolarHBondContact O-N 2.86Å; L332-K334 PolarHBondContact O-N 3.04Å; L332-R335 PolarHBondContact O-N 2.51Å; L332-N338 PolarHBondContact O-ND2 2.87Å
333	T	95.1	Very high	97.5	Very high	91 Å²	91	52.6 Å²	52.6	56%	0.558	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-74.5	-11	179.2	71	0	0	0	0	113.4	D331 L339	D331-T333 VanDerWaalsContact CG-OG1 3.3Å; D331-T333 PolarHBondContact O-N 2.97Å; D331-T333 WeakPolarHBondContact OD1-CB 3.32Å; D331-T333 PolarHBondContact OD1-N 2.81Å; D331-T333 VanDerWaalsContact OD1-N 3.12Å; D331-T333 PolarHBondContact OD1-OG1 3.44Å; D331-T333 PolarHBondContact OD2-OG1 3Å; T333-L339 WeakPolarHBondContact O-CD2 3.46Å
334	K	97.8	Very high	97.5	Very high	118 Å²	118	55.4 Å²	55.4	51%	0.513	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-115.5	-1.2	179.5	-65.9	175.6	-171.5	139.4	0	112.8	Q329 D331 L332	Q329-K334 HydrophobicContact CG-CB 3.72Å; D331-K334 HydrophobicContact CB-CB 4.48Å; D331-K334 HydrophobicContact CB-CD 4.28Å; D331-K334 PolarHBondContact O-N 3.3Å; D331-K334 WeakPolarHBondContact OD2-CD 3.49Å; D331-K334 VanDerWaalsContact OD2-CE 3.25Å; D331-K334 WeakPolarHBondContact OD2-CE 3.2Å; D331-K334 IonicContact OD2-NZ 2.78Å; D331-K334 PolarHBondContact OD2-NZ 3.44Å; L332-K334 PolarHBondContact O-N 3.04Å
335	R	98.6	Very high	97.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-77.1	131.8	-177.3	-166.9	179.8	-61.2	150.3	4.4	110.5	E263 A273 Q326 L327 Q329 D331 L332 N338	E263-R335 IonicContact OE1-CZ 3.48Å; E263-R335 IonicContact OE1-NH1 3.46Å; E263-R335 PolarHBondContact OE1-NH1 2.81Å; E263-R335 IonicContact OE1-NH2 3.41Å; E263-R335 PolarHBondContact OE1-NH2 3.24Å; E263-R335 IonicContact OE2-CZ 3.74Å; E263-R335 IonicContact OE2-NH1 3.01Å; E263-R335 IonicContact OE2-NH2 2.92Å; E263-R335 PolarHBondContact OE2-NH2 3.14Å; A273-R335 WeakPolarHBondContact O-CD 3.41Å; A273-R335 PolarHBondContact O-NH1 3.28Å; Q326-R335 WeakPolarHBondContact O-CA 3.44Å; L327-R335 WeakPolarHBondContact O-CD 3.42Å; L327-R335 VanDerWaalsContact O-CG 3.24Å; L327-R335 WeakPolarHBondContact O-CG 3.44Å; L327-R335 PolarHBondContact O-NE 2.85Å; Q329-R335 HydrophobicContact CB-CB 4.14Å; Q329-R335 HydrophobicContact CB-CG 4.32Å; Q329-R335 PolarHBondContact O-NE 3Å; Q329-R335 PolarHBondContact O-NH2 3.41Å; D331-R335 PolarHBondContact O-N 3.3Å; L332-R335 PolarHBondContact O-N 2.51Å; R335-N338 PolarHBondContact O-N 2.98Å; R335-N338 VanDerWaalsContact O-N 3.1Å
336	Y	98.6	Very high	97.5	Very high	42 Å²	42	50.9 Å²	50.9	17%	0.165	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	146.7	172.3	-85.2	19.9	0	0	0	111.2	L323 Q326 N338 L339 D345 I346 H349	L323-Y336 HydrophobicContact CD1-CD2 4.46Å; Q326-Y336 HydrophobicContact CB-CD1 3.54Å; Q326-Y336 HydrophobicContact CB-CD2 3.65Å; Q326-Y336 HydrophobicContact CB-CE1 3.75Å; Q326-Y336 HydrophobicContact CB-CE2 3.85Å; Q326-Y336 HydrophobicContact CB-CG 3.49Å; Q326-Y336 VanDerWaalsContact CB-CG 3.49Å; Q326-Y336 HydrophobicContact CG-CD1 4.07Å; Q326-Y336 HydrophobicContact CG-CD2 4.19Å; Q326-Y336 HydrophobicContact CG-CE1 3.71Å; Q326-Y336 HydrophobicContact CG-CE2 3.84Å; Q326-Y336 HydrophobicContact CG-CG 4.3Å; Q326-Y336 PolarHBondContact O-N 3.39Å; Q326-Y336 VanDerWaalsContact O-N 3.09Å; Y336-N338 PolarHBondContact O-N 2.88Å; Y336-L339 HydrophobicContact CD1-CD1 3.78Å; Y336-L339 HydrophobicContact CE1-CD1 3.98Å; Y336-D345 HydrophobicContact CD1-CB 4.1Å; Y336-D345 HydrophobicContact CD2-CB 3.94Å; Y336-D345 VanDerWaalsContact CD2-O 3.29Å; Y336-D345 WeakPolarHBondContact CD2-O 3.32Å; Y336-D345 HydrophobicContact CE1-CB 4.26Å; Y336-D345 HydrophobicContact CE2-CB 4.1Å; Y336-D345 WeakPolarHBondContact CE2-O 3.46Å; Y336-D345 HydrophobicContact CG-CB 3.94Å; Y336-I346 HydrophobicContact CD2-CG1 4.32Å; Y336-H349 AromaticContact CE2-CD2 3.97Å
337	G	98.2	Very high	97.5	Very high	13 Å²	13	48.5 Å²	48.5	13%	0.134	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-14.7	-169.5	0	0	0	0	0	114.3	W276 G342	W276-G337 PolarHBondContact NE1-O 2.9Å; G337-G342 WeakPolarHBondContact CA-O 3.41Å; G337-G342 PolarHBondContact N-O 3.08Å
338	N	97.4	Very high	97.5	Very high	45 Å²	45	51.7 Å²	51.7	24%	0.241	27%	0.274	C	S	.	.	S	Bend	trans	-124.3	13.2	179.5	-165.7	57.5	0	0	0	113.3	N271 A273 L332 R335 Y336	N271-N338 PolarHBondContact ND2-OD1 3.41Å; N271-N338 VanDerWaalsContact ND2-OD1 3.12Å; A273-N338 HydrophobicContact CB-CB 3.79Å; L332-N338 PolarHBondContact O-ND2 2.87Å; R335-N338 PolarHBondContact O-N 2.98Å; R335-N338 VanDerWaalsContact O-N 3.1Å; Y336-N338 PolarHBondContact O-N 2.88Å
339	L	97.4	Very high	97.5	Very high	58 Å²	58	52 Å²	52	30%	0.304	28%	0.275	S	S	.	.	S	Bend	trans	-91.7	-176.3	172.7	-53.9	-174.6	0	0	0	110.7	T333 Y336 N341 G342 D345	T333-L339 WeakPolarHBondContact O-CD2 3.46Å; Y336-L339 HydrophobicContact CD1-CD1 3.78Å; Y336-L339 HydrophobicContact CE1-CD1 3.98Å; L339-N341 VanDerWaalsContact C-N 3.29Å; L339-N341 PolarHBondContact O-N 3.42Å; L339-G342 PolarHBondContact O-N 3Å; L339-D345 VanDerWaalsContact CB-OD2 3.31Å; L339-D345 WeakPolarHBondContact CB-OD2 3.22Å
340	K	96.8	Very high	97.5	Very high	208 Å²	208	56.8 Å²	56.8	90%	0.904	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-38	179.9	-172.8	-176.9	176.1	-171.2	0	113.2	G342	K340-G342 VanDerWaalsContact C-N 3.27Å
341	N	96.5	Very high	97.6	Very high	92 Å²	92	54.1 Å²	54.1	49%	0.492	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.2	179.6	-49.5	-32.9	0	0	0	112.3	L339 V343 D344 D345	L339-N341 VanDerWaalsContact C-N 3.29Å; L339-N341 PolarHBondContact O-N 3.42Å; N341-V343 PolarHBondContact O-N 3.19Å; N341-D344 HydrophobicContact CB-CB 4.29Å; N341-D344 WeakPolarHBondContact O-CB 3.44Å; N341-D344 PolarHBondContact O-N 3.37Å; N341-D344 VanDerWaalsContact O-N 3.08Å; N341-D345 WeakPolarHBondContact CB-OD1 3.46Å; N341-D345 PolarHBondContact ND2-OD1 3.25Å
342	G	97.3	Very high	97.7	Very high	20 Å²	20	51.6 Å²	51.6	21%	0.206	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-124.6	177.6	0	0	0	0	0	112.9	G337 L339 K340 D344	G337-G342 WeakPolarHBondContact CA-O 3.41Å; G337-G342 PolarHBondContact N-O 3.08Å; L339-G342 PolarHBondContact O-N 3Å; K340-G342 VanDerWaalsContact C-N 3.27Å; G342-D344 VanDerWaalsContact C-N 3.28Å; G342-D344 PolarHBondContact O-N 3.48Å
343	V	98.2	Very high	97.8	Very high	20 Å²	20	59.9 Å²	59.9	12%	0.121	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.2	-178.9	68.5	0	0	0	0	113	V206 E210 W276 N341 D345 I346 K347	V206-V343 HydrophobicContact CG1-CG2 3.81Å; E210-V343 HydrophobicContact CB-CG2 4.26Å; E210-V343 HydrophobicContact CG-CB 4.43Å; E210-V343 HydrophobicContact CG-CG1 3.88Å; E210-V343 HydrophobicContact CG-CG2 4.31Å; W276-V343 HydrophobicContact CH2-CB 4.32Å; W276-V343 HydrophobicContact CH2-CG2 3.61Å; W276-V343 HydrophobicContact CZ2-CB 4.23Å; W276-V343 HydrophobicContact CZ2-CG2 4.02Å; W276-V343 HydrophobicContact CZ3-CG2 4.43Å; N341-V343 PolarHBondContact O-N 3.19Å; V343-D345 PolarHBondContact O-N 3.06Å; V343-I346 WeakPolarHBondContact O-CA 3.36Å; V343-I346 VanDerWaalsContact O-CB 3.28Å; V343-I346 WeakPolarHBondContact O-CB 3.38Å; V343-I346 PolarHBondContact O-N 3.28Å; V343-K347 HydrophobicContact CG1-CD 4.25Å; V343-K347 HydrophobicContact CG2-CD 3.98Å; V343-K347 HydrophobicContact CG2-CG 4.16Å; V343-K347 PolarHBondContact O-N 2.88Å
344	D	98	Very high	97.9	Very high	60 Å²	60	60.1 Å²	60.1	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-65.4	-29.6	-176.6	-64.3	-17.6	0	0	0	111.7	N341 G342 I346 K347 C348	N341-D344 HydrophobicContact CB-CB 4.29Å; N341-D344 WeakPolarHBondContact O-CB 3.44Å; N341-D344 PolarHBondContact O-N 3.37Å; N341-D344 VanDerWaalsContact O-N 3.08Å; G342-D344 VanDerWaalsContact C-N 3.28Å; G342-D344 PolarHBondContact O-N 3.48Å; D344-I346 PolarHBondContact O-N 2.85Å; D344-K347 PolarHBondContact O-N 3.37Å; D344-C348 WeakPolarHBondContact O-CB 3.37Å; D344-C348 PolarHBondContact O-N 3.14Å; D344-C348 PolarHBondContact O-SG 3.48Å; D344-C348 VanDerWaalsContact O-SG 3.36Å
345	D	98.4	Very high	97.9	Very high	29 Å²	29	55.2 Å²	55.2	16%	0.155	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-28.1	171.9	-70.7	-39.4	0	0	0	111.9	Y336 L339 N341 V343	Y336-D345 HydrophobicContact CD1-CB 4.1Å; Y336-D345 HydrophobicContact CD2-CB 3.94Å; Y336-D345 VanDerWaalsContact CD2-O 3.29Å; Y336-D345 WeakPolarHBondContact CD2-O 3.32Å; Y336-D345 HydrophobicContact CE1-CB 4.26Å; Y336-D345 HydrophobicContact CE2-CB 4.1Å; Y336-D345 WeakPolarHBondContact CE2-O 3.46Å; Y336-D345 HydrophobicContact CG-CB 3.94Å; L339-D345 VanDerWaalsContact CB-OD2 3.31Å; L339-D345 WeakPolarHBondContact CB-OD2 3.22Å; N341-D345 WeakPolarHBondContact CB-OD1 3.46Å; N341-D345 PolarHBondContact ND2-OD1 3.25Å; V343-D345 PolarHBondContact O-N 3.06Å
346	I	98.8	Very high	97.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-82.9	-51.1	174.2	-55.5	171.7	0	0	0	109.9	V206 W276 L323 L327 Y336 V343 D344 C348 H349 F352	V206-I346 HydrophobicContact CG2-CG2 3.92Å; W276-I346 HydrophobicContact CD2-CD1 3.72Å; W276-I346 HydrophobicContact CE3-CD1 3.31Å; W276-I346 HydrophobicContact CG-CD1 4.36Å; W276-I346 HydrophobicContact CH2-CD1 4.25Å; W276-I346 HydrophobicContact CZ3-CD1 3.61Å; L323-I346 HydrophobicContact CD1-CG2 4.48Å; L327-I346 HydrophobicContact CD2-CD1 3.77Å; L327-I346 HydrophobicContact CD2-CG1 4.1Å; Y336-I346 HydrophobicContact CD2-CG1 4.32Å; V343-I346 WeakPolarHBondContact O-CA 3.36Å; V343-I346 VanDerWaalsContact O-CB 3.28Å; V343-I346 WeakPolarHBondContact O-CB 3.38Å; V343-I346 PolarHBondContact O-N 3.28Å; D344-I346 PolarHBondContact O-N 2.85Å; I346-C348 VanDerWaalsContact C-N 3.3Å; I346-C348 PolarHBondContact O-N 2.77Å; I346-H349 VanDerWaalsContact O-CB 3.24Å; I346-H349 WeakPolarHBondContact O-CB 3.29Å; I346-H349 PolarHBondContact O-N 3.47Å; I346-H349 VanDerWaalsContact O-N 3.09Å; I346-F352 HydrophobicContact CG2-CD2 4.13Å; I346-F352 HydrophobicContact CG2-CE2 3.67Å; I346-F352 VanDerWaalsContact O-CD2 3.3Å; I346-F352 WeakPolarHBondContact O-CD2 3.41Å
347	K	98.7	Very high	97.8	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-34.2	-174.8	-67.1	172.1	81.8	174.5	0	113.1	L67 V206 E210 V343 D344 W357	L67-K347 HydrophobicContact CD2-CB 3.95Å; L67-K347 HydrophobicContact CD2-CD 3.67Å; L67-K347 HydrophobicContact CD2-CG 4.41Å; V206-K347 HydrophobicContact CG1-CD 4.41Å; V206-K347 HydrophobicContact CG1-CG 3.91Å; E210-K347 IonicContact OE1-NZ 2.83Å; E210-K347 PolarHBondContact OE1-NZ 2.85Å; E210-K347 WeakPolarHBondContact OE2-CD 3.19Å; E210-K347 WeakPolarHBondContact OE2-CE 3.22Å; E210-K347 IonicContact OE2-NZ 3.81Å; E210-K347 PolarHBondContact OE2-NZ 3Å; V343-K347 HydrophobicContact CG1-CD 4.25Å; V343-K347 HydrophobicContact CG2-CD 3.98Å; V343-K347 HydrophobicContact CG2-CG 4.16Å; V343-K347 PolarHBondContact O-N 2.88Å; D344-K347 PolarHBondContact O-N 3.37Å; K347-W357 VanDerWaalsContact CA-CZ2 3.47Å; K347-W357 HydrophobicContact CB-CD2 4.44Å; K347-W357 HydrophobicContact CB-CH2 4.41Å; K347-W357 HydrophobicContact CB-CZ2 3.7Å; K347-W357 HydrophobicContact CD-CD2 4.44Å; K347-W357 HydrophobicContact CG-CD2 4.12Å; K347-W357 HydrophobicContact CG-CE3 4.33Å; K347-W357 HydrophobicContact CG-CH2 3.87Å; K347-W357 HydrophobicContact CG-CZ2 3.65Å; K347-W357 HydrophobicContact CG-CZ3 4.19Å; K347-W357 PolarHBondContact O-NE1 3.18Å
348	C	98	Very high	97.7	Very high	67 Å²	67	56 Å²	56	45%	0.453	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.9	177.6	-61.5	0	0	0	0	113.7	L63 D344 I346	L63-C348 HydrophobicContact CD2-CB 4.36Å; D344-C348 WeakPolarHBondContact O-CB 3.37Å; D344-C348 PolarHBondContact O-N 3.14Å; D344-C348 PolarHBondContact O-SG 3.48Å; D344-C348 VanDerWaalsContact O-SG 3.36Å; I346-C348 VanDerWaalsContact C-N 3.3Å; I346-C348 PolarHBondContact O-N 2.77Å
349	H	98.6	Very high	97.7	Very high	16 Å²	16	54.1 Å²	54.1	7%	0.074	27%	0.271	C	S	.	.	S	Bend	trans	-65.2	142.7	-179.2	-174.8	-87.5	0	0	0	111	D319 N322 L323 Y336 I346 W351 F352 R353	D319-H349 PolarHBondContact O-CE1 2.82Å; N322-H349 PolarHBondContact OD1-NE2 3.48Å; N322-H349 VanDerWaalsContact OD1-NE2 3.17Å; L323-H349 HydrophobicContact CD1-CB 4.16Å; Y336-H349 AromaticContact CE2-CD2 3.97Å; I346-H349 VanDerWaalsContact O-CB 3.24Å; I346-H349 WeakPolarHBondContact O-CB 3.29Å; I346-H349 PolarHBondContact O-N 3.47Å; I346-H349 VanDerWaalsContact O-N 3.09Å; H349-W351 WeakPolarHBondContact ND1-CB 3.32Å; H349-W351 PolarHBondContact ND1-N 3.37Å; H349-W351 PolarHBondContact O-N 2.73Å; H349-F352 WeakPolarHBondContact O-CA 3.12Å; H349-F352 PolarHBondContact O-N 3.13Å; H349-R353 PolarHBondContact O-N 3.4Å
350	K	98.4	Very high	97.8	Very high	150 Å²	150	51.4 Å²	51.4	65%	0.652	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-51.8	-37	-176	-66.8	-176.4	-179.7	-179	0	114.1	D319 F352 R353	D319-K350 HydrophobicContact CB-CB 4.41Å; K350-F352 PolarHBondContact O-N 2.95Å; K350-R353 WeakPolarHBondContact O-CB 3.3Å; K350-R353 PolarHBondContact O-N 3.48Å; K350-R353 VanDerWaalsContact O-N 3.11Å
351	W	98.7	Very high	97.8	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.015	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-62	-30.2	177.5	-169.7	72.9	0	0	0	113.2	E195 R199 A202 I283 D319 L320 L323 H349	E195-W351 HydrophobicContact CB-CZ2 4.41Å; E195-W351 WeakPolarHBondContact O-CZ2 3.26Å; E195-W351 PolarHBondContact OE2-NE1 3.36Å; R199-W351 HydrophobicContact CB-CH2 3.63Å; R199-W351 HydrophobicContact CB-CZ2 3.92Å; R199-W351 HydrophobicContact CB-CZ3 3.94Å; R199-W351 WeakPolarHBondContact CD-O 3.22Å; R199-W351 HydrophobicContact CG-CE3 4.26Å; R199-W351 HydrophobicContact CG-CH2 4.23Å; R199-W351 HydrophobicContact CG-CZ3 4.01Å; R199-W351 PolarHBondContact NE-O 3.49Å; A202-W351 HydrophobicContact CB-CH2 4.45Å; A202-W351 HydrophobicContact CB-CZ3 4.23Å; I283-W351 HydrophobicContact CD1-CZ3 4.36Å; I283-W351 HydrophobicContact CG2-CH2 3.91Å; I283-W351 HydrophobicContact CG2-CZ2 4.43Å; I283-W351 HydrophobicContact CG2-CZ3 4.31Å; D319-W351 HydrophobicContact CB-CB 4.07Å; L320-W351 HydrophobicContact CB-CG 4.34Å; L320-W351 HydrophobicContact CD1-CD2 4.09Å; L320-W351 HydrophobicContact CD1-CG 4.47Å; L320-W351 HydrophobicContact CD1-CH2 4.42Å; L320-W351 HydrophobicContact CD1-CZ2 3.92Å; L320-W351 HydrophobicContact CD2-CZ2 4.28Å; L323-W351 HydrophobicContact CB-CB 4.48Å; L323-W351 HydrophobicContact CD2-CB 4.23Å; L323-W351 HydrophobicContact CD2-CD2 4.02Å; L323-W351 HydrophobicContact CD2-CE3 3.41Å; L323-W351 VanDerWaalsContact CD2-CE3 3.41Å; L323-W351 HydrophobicContact CD2-CG 4.38Å; L323-W351 HydrophobicContact CD2-CZ3 4.04Å; H349-W351 WeakPolarHBondContact ND1-CB 3.32Å; H349-W351 PolarHBondContact ND1-N 3.37Å; H349-W351 PolarHBondContact O-N 2.73Å
352	F	98.6	Very high	97.9	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-92	-0.8	176	-79	-69.7	0	0	0	113.7	R199 A202 V206 L323 I346 H349 K350 P354 T355 W357	R199-F352 HydrophobicContact CG-CD1 3.66Å; R199-F352 HydrophobicContact CG-CE1 3.85Å; A202-F352 HydrophobicContact CB-CE1 4.18Å; A202-F352 HydrophobicContact CB-CZ 3.93Å; V206-F352 HydrophobicContact CG2-CZ 4.15Å; L323-F352 HydrophobicContact CD2-CD2 4.12Å; L323-F352 HydrophobicContact CD2-CE2 3.68Å; I346-F352 HydrophobicContact CG2-CD2 4.13Å; I346-F352 HydrophobicContact CG2-CE2 3.67Å; I346-F352 VanDerWaalsContact O-CD2 3.3Å; I346-F352 WeakPolarHBondContact O-CD2 3.41Å; H349-F352 WeakPolarHBondContact O-CA 3.12Å; H349-F352 PolarHBondContact O-N 3.13Å; K350-F352 PolarHBondContact O-N 2.95Å; F352-P354 VanDerWaalsContact C-N 3.26Å; F352-T355 WeakPolarHBondContact O-CA 3.47Å; F352-T355 WeakPolarHBondContact O-CB 3.36Å; F352-T355 PolarHBondContact O-N 3.36Å; F352-T355 PolarHBondContact O-OG1 3Å; F352-W357 HydrophobicContact CB-CZ2 3.86Å; F352-W357 AromaticContact CD1-CH2 3.74Å; F352-W357 HydrophobicContact CD1-CH2 3.74Å; F352-W357 AromaticContact CD1-CZ2 3.86Å; F352-W357 HydrophobicContact CD1-CZ2 3.86Å; F352-W357 HydrophobicContact CD2-CH2 4.49Å; F352-W357 HydrophobicContact CD2-CZ2 4.47Å; F352-W357 AromaticContact CE1-CH2 3.96Å; F352-W357 HydrophobicContact CE1-CH2 3.96Å; F352-W357 HydrophobicContact CG-CH2 4.04Å; F352-W357 AromaticContact CG-CZ2 3.83Å; F352-W357 HydrophobicContact CG-CZ2 3.83Å; F352-W357 HydrophobicContact CZ-CH2 4.41Å
353	R	96.9	Very high	97.9	Very high	222 Å²	222	44.8 Å²	44.8	84%	0.838	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-37.6	-178.9	-177.5	179.3	-179.4	179.9	1.4	115.1	H349 K350 T355	H349-R353 PolarHBondContact O-N 3.4Å; K350-R353 WeakPolarHBondContact O-CB 3.3Å; K350-R353 PolarHBondContact O-N 3.48Å; K350-R353 VanDerWaalsContact O-N 3.11Å; R353-T355 PolarHBondContact O-N 3.34Å
354	P	96.2	Very high	97.8	Very high	95 Å²	95	50 Å²	50	62%	0.617	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-3	177.2	-17.8	33.6	0	0	0	115.1	F352	F352-P354 VanDerWaalsContact C-N 3.26Å
355	T	97.3	Very high	97.7	Very high	16 Å²	16	50 Å²	50	10%	0.098	24%	0.241	C	C	.	.			trans	-87.3	120.6	-171.9	-46	0	0	0	0	110	R199 F352 R353 W357 V360	R199-T355 WeakPolarHBondContact CD-OG1 3.34Å; F352-T355 WeakPolarHBondContact O-CA 3.47Å; F352-T355 WeakPolarHBondContact O-CB 3.36Å; F352-T355 PolarHBondContact O-N 3.36Å; F352-T355 PolarHBondContact O-OG1 3Å; R353-T355 PolarHBondContact O-N 3.34Å; T355-W357 HydrophobicContact CG2-CD2 4.08Å; T355-W357 HydrophobicContact CG2-CE3 4.24Å; T355-W357 HydrophobicContact CG2-CH2 4.4Å; T355-W357 HydrophobicContact CG2-CZ2 4.2Å; T355-W357 HydrophobicContact CG2-CZ3 4.42Å; T355-V360 HydrophobicContact CG2-CG2 3.8Å
356	N	97.2	Very high	97.6	Very high	60 Å²	60	54.3 Å²	54.3	32%	0.321	27%	0.273	S	S	.	.			trans	-88.1	107.4	163	179.3	-23.3	0	0	0	108.5	Q66 V358 A359 V360	Q66-N356 PolarHBondContact OE1-OD1 2.88Å; N356-V358 VanDerWaalsContact C-N 3.34Å; N356-V358 PolarHBondContact O-N 2.86Å; N356-V358 PolarHBondContact OD1-N 3.36Å; N356-V358 VanDerWaalsContact OD1-N 3.13Å; N356-A359 HydrophobicContact CB-CB 3.87Å; N356-A359 VanDerWaalsContact CG-CB 3.48Å; N356-A359 PolarHBondContact O-N 3.3Å; N356-A359 PolarHBondContact OD1-N 3.49Å; N356-V360 VanDerWaalsContact O-CG2 3.29Å; N356-V360 WeakPolarHBondContact O-CG2 3.04Å; N356-V360 PolarHBondContact O-N 3.38Å
357	W	97.9	Very high	97.5	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.011	28%	0.282	C	S	.	.	H	α-helix	trans	-67.9	-33.9	-173.3	-66.1	100.1	0	0	0	113	V206 L207 K347 F352 T355 Y361	V206-W357 HydrophobicContact CB-CH2 4.15Å; V206-W357 HydrophobicContact CB-CZ3 3.92Å; V206-W357 HydrophobicContact CG1-CH2 3.89Å; V206-W357 HydrophobicContact CG1-CZ3 3.76Å; V206-W357 HydrophobicContact CG2-CH2 4.45Å; L207-W357 HydrophobicContact CD1-CE3 4.2Å; L207-W357 HydrophobicContact CD2-CE3 3.78Å; L207-W357 HydrophobicContact CD2-CZ3 4.4Å; L207-W357 HydrophobicContact CG-CE3 3.85Å; L207-W357 HydrophobicContact CG-CZ3 4.2Å; K347-W357 VanDerWaalsContact CA-CZ2 3.47Å; K347-W357 HydrophobicContact CB-CD2 4.44Å; K347-W357 HydrophobicContact CB-CH2 4.41Å; K347-W357 HydrophobicContact CB-CZ2 3.7Å; K347-W357 HydrophobicContact CD-CD2 4.44Å; K347-W357 HydrophobicContact CG-CD2 4.12Å; K347-W357 HydrophobicContact CG-CE3 4.33Å; K347-W357 HydrophobicContact CG-CH2 3.87Å; K347-W357 HydrophobicContact CG-CZ2 3.65Å; K347-W357 HydrophobicContact CG-CZ3 4.19Å; K347-W357 PolarHBondContact O-NE1 3.18Å; F352-W357 HydrophobicContact CB-CZ2 3.86Å; F352-W357 AromaticContact CD1-CH2 3.74Å; F352-W357 HydrophobicContact CD1-CH2 3.74Å; F352-W357 AromaticContact CD1-CZ2 3.86Å; F352-W357 HydrophobicContact CD1-CZ2 3.86Å; F352-W357 HydrophobicContact CD2-CH2 4.49Å; F352-W357 HydrophobicContact CD2-CZ2 4.47Å; F352-W357 AromaticContact CE1-CH2 3.96Å; F352-W357 HydrophobicContact CE1-CH2 3.96Å; F352-W357 HydrophobicContact CG-CH2 4.04Å; F352-W357 AromaticContact CG-CZ2 3.83Å; F352-W357 HydrophobicContact CG-CZ2 3.83Å; F352-W357 HydrophobicContact CZ-CH2 4.41Å; T355-W357 HydrophobicContact CG2-CD2 4.08Å; T355-W357 HydrophobicContact CG2-CE3 4.24Å; T355-W357 HydrophobicContact CG2-CH2 4.4Å; T355-W357 HydrophobicContact CG2-CZ2 4.2Å; T355-W357 HydrophobicContact CG2-CZ3 4.42Å; W357-Y361 PolarHBondContact O-N 3.25Å
358	V	97.5	Very high	97.4	Very high	8 Å²	8	57.5 Å²	57.5	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-70.9	-46.3	178.5	179.1	0	0	0	0	109.7	M61 Q66 W69 N356 V360 Y361 Q362	M61-V358 HydrophobicContact CE-CG2 4.31Å; M61-V358 HydrophobicContact SD-CG1 4.48Å; M61-V358 HydrophobicContact SD-CG2 4.22Å; Q66-V358 HydrophobicContact CB-CG2 3.83Å; Q66-V358 HydrophobicContact CG-CG2 3.76Å; W69-V358 HydrophobicContact CD2-CG1 4.43Å; W69-V358 HydrophobicContact CD2-CG2 4.11Å; W69-V358 HydrophobicContact CE3-CG1 4.33Å; W69-V358 HydrophobicContact CE3-CG2 3.74Å; W69-V358 HydrophobicContact CG-CG2 4.48Å; W69-V358 HydrophobicContact CZ3-CG1 4.37Å; W69-V358 HydrophobicContact CZ3-CG2 4.32Å; N356-V358 VanDerWaalsContact C-N 3.34Å; N356-V358 PolarHBondContact O-N 2.86Å; N356-V358 PolarHBondContact OD1-N 3.36Å; N356-V358 VanDerWaalsContact OD1-N 3.13Å; V358-V360 VanDerWaalsContact C-N 3.31Å; V358-V360 PolarHBondContact O-N 3.04Å; V358-Y361 WeakPolarHBondContact O-CB 3.43Å; V358-Y361 PolarHBondContact O-N 2.87Å; V358-Y361 VanDerWaalsContact O-N 3.12Å; V358-Q362 HydrophobicContact CG1-CG 4.37Å; V358-Q362 WeakPolarHBondContact O-CB 3.18Å; V358-Q362 WeakPolarHBondContact O-CG 3.46Å; V358-Q362 PolarHBondContact O-N 2.86Å
359	A	97.4	Very high	97.3	Very high	6 Å²	6	56 Å²	56	5%	0.05	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-34.5	175.3	0	0	0	0	0	112.7	N356 K363 E364 L365	N356-A359 HydrophobicContact CB-CB 3.87Å; N356-A359 VanDerWaalsContact CG-CB 3.48Å; N356-A359 PolarHBondContact O-N 3.3Å; N356-A359 PolarHBondContact OD1-N 3.49Å; A359-K363 PolarHBondContact O-N 3.22Å; A359-E364 HydrophobicContact CB-CB 4.17Å; A359-E364 PolarHBondContact O-N 2.69Å; A359-L365 HydrophobicContact CB-CD2 3.76Å; A359-L365 HydrophobicContact CB-CG 4.2Å
360	V	98.1	Very high	97.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-57.2	169.5	172.9	0	0	0	0	109.1	F157 Q204 L207 T355 N356 V358 Q362 K363 L365	F157-V360 HydrophobicContact CE2-CG1 4.08Å; F157-V360 HydrophobicContact CZ-CG1 3.98Å; F157-V360 VanDerWaalsContact CZ-O 3.3Å; F157-V360 WeakPolarHBondContact CZ-O 2.8Å; Q204-V360 HydrophobicContact CG-CG1 3.78Å; L207-V360 HydrophobicContact CD1-CB 4.1Å; L207-V360 HydrophobicContact CD1-CG1 3.72Å; T355-V360 HydrophobicContact CG2-CG2 3.8Å; N356-V360 VanDerWaalsContact O-CG2 3.29Å; N356-V360 WeakPolarHBondContact O-CG2 3.04Å; N356-V360 PolarHBondContact O-N 3.38Å; V358-V360 VanDerWaalsContact C-N 3.31Å; V358-V360 PolarHBondContact O-N 3.04Å; V360-Q362 VanDerWaalsContact C-N 3.32Å; V360-Q362 PolarHBondContact O-N 3.07Å; V360-K363 PolarHBondContact O-N 2.8Å; V360-L365 HydrophobicContact CB-CD1 4.5Å; V360-L365 HydrophobicContact CG2-CD1 3.49Å; V360-L365 VanDerWaalsContact CG2-CD1 3.49Å; V360-L365 HydrophobicContact CG2-CG 4.47Å
361	Y	98.2	Very high	97.1	Very high	43 Å²	43	53.9 Å²	53.9	17%	0.169	28%	0.278	C	S	.	.	H	α-helix	trans	-55.1	-44.6	-178	171.2	-90.1	0	0	0	112.7	W69 F70 Y73 F155 P156 W357 V358 K363	W69-Y361 AromaticContact CH2-CD1 3.41Å; W69-Y361 HydrophobicContact CH2-CD1 3.41Å; W69-Y361 VanDerWaalsContact CH2-CD1 3.41Å; W69-Y361 AromaticContact CH2-CE1 3.57Å; W69-Y361 HydrophobicContact CH2-CE1 3.57Å; W69-Y361 HydrophobicContact CH2-CG 4.13Å; W69-Y361 HydrophobicContact CZ2-CE1 4.48Å; W69-Y361 AromaticContact CZ3-CD1 3.91Å; W69-Y361 HydrophobicContact CZ3-CD1 3.91Å; W69-Y361 HydrophobicContact CZ3-CE1 4.39Å; W69-Y361 HydrophobicContact CZ3-CG 4.19Å; F70-Y361 AromaticContact CE2-CD2 3.84Å; F70-Y361 HydrophobicContact CE2-CD2 3.84Å; F70-Y361 HydrophobicContact CE2-CE2 4.43Å; F70-Y361 HydrophobicContact CE2-CG 4.36Å; Y73-Y361 AromaticContact CE1-CE2 3.97Å; Y73-Y361 HydrophobicContact CE1-CE2 3.97Å; Y73-Y361 HydrophobicContact CE2-CE2 4.18Å; Y73-Y361 AromaticContact CE2-CZ 3.78Å; Y73-Y361 WeakPolarHBondContact CE2-OH 3.34Å; Y73-Y361 AromaticContact CZ-CE2 3.71Å; Y73-Y361 AromaticContact CZ-CZ 3.79Å; Y73-Y361 VanDerWaalsContact CZ-OH 3.28Å; Y73-Y361 PolarHBondContact OH-OH 3.28Å; F155-Y361 HydrophobicContact CD2-CE2 4.12Å; F155-Y361 AromaticContact CE2-CD2 3.72Å; F155-Y361 HydrophobicContact CE2-CD2 3.72Å; F155-Y361 AromaticContact CE2-CE2 3.47Å; F155-Y361 HydrophobicContact CE2-CE2 3.47Å; F155-Y361 VanDerWaalsContact CE2-CE2 3.47Å; F155-Y361 AromaticContact CZ-CD2 3.78Å; F155-Y361 HydrophobicContact CZ-CD2 3.78Å; F155-Y361 HydrophobicContact CZ-CE2 4.02Å; P156-Y361 HydrophobicContact CG-CD2 3.95Å; P156-Y361 HydrophobicContact CG-CE2 3.53Å; W357-Y361 PolarHBondContact O-N 3.25Å; V358-Y361 WeakPolarHBondContact O-CB 3.43Å; V358-Y361 PolarHBondContact O-N 2.87Å; V358-Y361 VanDerWaalsContact O-N 3.12Å; Y361-K363 PolarHBondContact O-N 2.76Å
362	Q	97.3	Very high	96.8	Very high	73 Å²	73	57.6 Å²	57.6	34%	0.341	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-3.6	-179.7	-68.3	175.2	-43.3	0	0	113.6	V358 V360 E364	V358-Q362 HydrophobicContact CG1-CG 4.37Å; V358-Q362 WeakPolarHBondContact O-CB 3.18Å; V358-Q362 WeakPolarHBondContact O-CG 3.46Å; V358-Q362 PolarHBondContact O-N 2.86Å; V360-Q362 VanDerWaalsContact C-N 3.32Å; V360-Q362 PolarHBondContact O-N 3.07Å; Q362-E364 HydrophobicContact CB-CG 3.77Å; Q362-E364 PolarHBondContact OE1-OE1 2.83Å; Q362-E364 PolarHBondContact OE1-OE2 2.72Å
363	K	97.6	Very high	96.4	Very high	65 Å²	65	59.6 Å²	59.6	28%	0.283	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	38.5	-176.4	-58.7	-175.3	164.7	-166.3	0	114.4	F157 D232 Y234 A359 V360 Y361	F157-K363 HydrophobicContact CE1-CG 4.14Å; D232-K363 IonicContact OD1-NZ 3.37Å; D232-K363 IonicContact OD2-NZ 2.76Å; D232-K363 PolarHBondContact OD2-NZ 3.15Å; Y234-K363 HydrophobicContact CD1-CB 4.44Å; Y234-K363 HydrophobicContact CD1-CD 4.41Å; Y234-K363 HydrophobicContact CD1-CG 3.86Å; Y234-K363 HydrophobicContact CD2-CB 4.26Å; Y234-K363 HydrophobicContact CD2-CD 4.31Å; Y234-K363 HydrophobicContact CD2-CG 4.25Å; Y234-K363 HydrophobicContact CE1-CB 4.07Å; Y234-K363 HydrophobicContact CE1-CG 3.88Å; Y234-K363 HydrophobicContact CE2-CB 3.89Å; Y234-K363 HydrophobicContact CE2-CG 4.28Å; Y234-K363 HydrophobicContact CG-CD 4.14Å; Y234-K363 HydrophobicContact CG-CG 4.04Å; Y234-K363 VanDerWaalsContact CZ-CA 3.45Å; Y234-K363 VanDerWaalsContact OH-C 3.24Å; Y234-K363 VanDerWaalsContact OH-CA 3.28Å; Y234-K363 WeakPolarHBondContact OH-CA 3.27Å; A359-K363 PolarHBondContact O-N 3.22Å; V360-K363 PolarHBondContact O-N 2.8Å; Y361-K363 PolarHBondContact O-N 2.76Å
364	E	96.6	Very high	96.1	Very high	129 Å²	129	58 Å²	58	60%	0.603	32%	0.315	S	S	*	.			trans	-93.6	-5.4	-177.6	-63.7	179.6	164.1	0	0	113.5	A359 Q362	A359-E364 HydrophobicContact CB-CB 4.17Å; A359-E364 PolarHBondContact O-N 2.69Å; Q362-E364 HydrophobicContact CB-CG 3.77Å; Q362-E364 PolarHBondContact OE1-OE1 2.83Å; Q362-E364 PolarHBondContact OE1-OE2 2.72Å
365	L	94.8	Very high	95.9	Very high	62 Å²	62	54.9 Å²	54.9	33%	0.325	30%	0.301	S	S	.	.	S	Bend	trans	-86.7	145.4	176.9	-54.5	-174.3	0	0	0	110.5	F200 Y234 A359 V360 A367	F200-L365 HydrophobicContact CD2-CB 4.46Å; F200-L365 HydrophobicContact CD2-CD1 4.48Å; F200-L365 HydrophobicContact CE2-CB 4.09Å; Y234-L365 WeakPolarHBondContact OH-CA 3.3Å; Y234-L365 WeakPolarHBondContact OH-CB 3.16Å; Y234-L365 PolarHBondContact OH-N 2.78Å; Y234-L365 PolarHBondContact OH-O 3.25Å; A359-L365 HydrophobicContact CB-CD2 3.76Å; A359-L365 HydrophobicContact CB-CG 4.2Å; V360-L365 HydrophobicContact CB-CD1 4.5Å; V360-L365 HydrophobicContact CG2-CD1 3.49Å; V360-L365 VanDerWaalsContact CG2-CD1 3.49Å; V360-L365 HydrophobicContact CG2-CG 4.47Å; L365-A367 PolarHBondContact O-N 3.05Å
366	S	96	Very high	95.6	Very high	119 Å²	119	58.9 Å²	58.9	83%	0.832	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-69.2	121.7	171.2	-62.9	0	0	0	0	110.1
367	A	97.7	Very high	95.4	Very high	21 Å²	21	57 Å²	57	17%	0.174	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-70.2	140.8	177	0	0	0	0	0	111.2	F200 D232 L365 F369 L370	F200-A367 HydrophobicContact CE1-CB 4.05Å; F200-A367 HydrophobicContact CZ-CB 3.77Å; D232-A367 WeakPolarHBondContact O-CB 3.46Å; L365-A367 PolarHBondContact O-N 3.05Å; A367-F369 PolarHBondContact O-N 3.34Å; A367-L370 HydrophobicContact CB-CD2 4.26Å
368	P	96.8	Very high	95.2	Very high	48 Å²	48	58 Å²	58	31%	0.312	33%	0.328	S	S	.	.	S	Bend	trans	-71.7	-16	-177.8	29.7	-35.7	0	0	0	113.3	D197 F200 Y201	D197-P368 HydrophobicContact CB-CB 3.94Å; D197-P368 HydrophobicContact CB-CG 3.94Å; D197-P368 WeakPolarHBondContact OD1-CB 3.19Å; F200-P368 HydrophobicContact CD1-CG 3.77Å; F200-P368 HydrophobicContact CE1-CG 4.28Å; F200-P368 HydrophobicContact CG-CG 4.29Å; Y201-P368 HydrophobicContact CE2-CG 4.01Å
369	F	96.5	Very high	95	Very high	36 Å²	36	58.8 Å²	58.8	16%	0.158	33%	0.333	C	S	.	.			trans	-147.3	127.1	178.3	171.8	-111.4	0	0	0	110.5	Y186 I229 G233 A367 P371	Y186-F369 HydrophobicContact CD1-CB 4.45Å; Y186-F369 AromaticContact CD1-CD1 3.73Å; Y186-F369 HydrophobicContact CD1-CD1 3.73Å; Y186-F369 HydrophobicContact CD1-CE1 4.23Å; Y186-F369 HydrophobicContact CD1-CG 4.16Å; Y186-F369 HydrophobicContact CD2-CD1 4.13Å; Y186-F369 HydrophobicContact CD2-CD2 4.4Å; Y186-F369 HydrophobicContact CD2-CE1 4.05Å; Y186-F369 HydrophobicContact CD2-CE2 4.34Å; Y186-F369 HydrophobicContact CD2-CG 4.3Å; Y186-F369 HydrophobicContact CD2-CZ 4.17Å; Y186-F369 HydrophobicContact CE1-CB 3.58Å; Y186-F369 AromaticContact CE1-CD1 3.71Å; Y186-F369 HydrophobicContact CE1-CD1 3.71Å; Y186-F369 HydrophobicContact CE1-CD2 4.45Å; Y186-F369 AromaticContact CE1-CG 3.66Å; Y186-F369 HydrophobicContact CE1-CG 3.66Å; Y186-F369 HydrophobicContact CE2-CB 4.32Å; Y186-F369 HydrophobicContact CE2-CD1 4.06Å; Y186-F369 AromaticContact CE2-CD2 3.75Å; Y186-F369 HydrophobicContact CE2-CD2 3.75Å; Y186-F369 HydrophobicContact CE2-CE1 4.32Å; Y186-F369 HydrophobicContact CE2-CE2 4.04Å; Y186-F369 AromaticContact CE2-CG 3.77Å; Y186-F369 HydrophobicContact CE2-CG 3.77Å; Y186-F369 HydrophobicContact CE2-CZ 4.31Å; Y186-F369 AromaticContact CG-CD1 3.97Å; Y186-F369 HydrophobicContact CG-CD1 3.97Å; Y186-F369 HydrophobicContact CG-CE1 4Å; Y186-F369 HydrophobicContact CG-CG 4.48Å; Y186-F369 AromaticContact CZ-CD1 3.9Å; Y186-F369 AromaticContact CZ-CD2 3.82Å; Y186-F369 AromaticContact CZ-CG 3.46Å; Y186-F369 VanDerWaalsContact CZ-CG 3.46Å; Y186-F369 WeakPolarHBondContact OH-CB 3.48Å; I229-F369 HydrophobicContact CD1-CD1 4.05Å; I229-F369 HydrophobicContact CD1-CE1 4.32Å; I229-F369 HydrophobicContact CG2-CD1 4.44Å; G233-F369 WeakPolarHBondContact CA-O 3.36Å; A367-F369 PolarHBondContact O-N 3.34Å; F369-P371 HydrophobicContact CE1-CB 3.8Å; F369-P371 HydrophobicContact CZ-CB 4.06Å
370	L	96.7	Very high	94.9	Very high	111 Å²	111	61.9 Å²	61.9	58%	0.581	35%	0.354	S	S	*	.			trans	-104.9	116.5	169.2	-61.6	178.6	0	0	0	108.1	D232 A367	D232-L370 VanDerWaalsContact C-CD2 3.45Å; D232-L370 WeakPolarHBondContact O-CD2 3.22Å; A367-L370 HydrophobicContact CB-CD2 4.26Å
371	P	94.5	Very high	94.6	Very high	9 Å²	9	63.5 Å²	63.5	6%	0.058	36%	0.362	C	S	.	.			trans	-66.5	141.7	179.3	26.5	-31.8	0	0	0	110.6	I229 A230 F369 C373	I229-P371 HydrophobicContact CG2-CG 4.08Å; A230-P371 WeakPolarHBondContact O-CD 3.42Å; A230-P371 VanDerWaalsContact O-CG 3.26Å; A230-P371 WeakPolarHBondContact O-CG 3.4Å; F369-P371 HydrophobicContact CE1-CB 3.8Å; F369-P371 HydrophobicContact CZ-CB 4.06Å; P371-C373 PolarHBondContact O-N 3.32Å; P371-C373 VanDerWaalsContact O-N 3.08Å
372	P	93.3	Very high	94.1	Very high	83 Å²	83	62.9 Å²	62.9	54%	0.539	36%	0.36	S	S	.	.			trans	-66	113.6	174.1	27.6	-32.3	0	0	0	109.1	N381	P372-N381 PolarHBondContact O-ND2 2.89Å
373	C	90.9	Very high	93.7	Very high	42 Å²	42	64.6 Å²	64.6	28%	0.284	37%	0.372	S	S	.	.			trans	-130	117.9	176.9	-63.9	0	0	0	0	109.3	S179 P371 G375	S179-C373 PolarHBondContact OG-SG 3.2Å; S179-C373 VanDerWaalsContact OG-SG 3.35Å; P371-C373 PolarHBondContact O-N 3.32Å; P371-C373 VanDerWaalsContact O-N 3.08Å; C373-G375 VanDerWaalsContact C-N 3.31Å
374	K	90.7	Very high	93.5	Very high	189 Å²	189	68.1 Å²	68.1	82%	0.822	39%	0.394	S	S	*	.	S	Bend	trans	-79.8	-13.3	-179	-63.8	175.2	-176.6	170.6	0	113.5	D378	K374-D378 WeakPolarHBondContact CB-OD2 3.33Å; K374-D378 PolarHBondContact N-OD2 2.99Å
375	G	91	Very high	93.3	Very high	30 Å²	30	65.8 Å²	65.8	31%	0.309	38%	0.38	S	S	.	.	S	Bend	trans	172.1	177	-179.3	0	0	0	0	0	112.6	C373 G377 D378	C373-G375 VanDerWaalsContact C-N 3.31Å; G375-G377 PolarHBondContact O-N 3.49Å; G375-D378 VanDerWaalsContact O-CB 3.29Å; G375-D378 WeakPolarHBondContact O-CB 3.42Å; G375-D378 PolarHBondContact O-N 2.79Å; G375-D378 VanDerWaalsContact O-N 3.1Å
376	P	90.7	Very high	93.2	Very high	99 Å²	99	70.5 Å²	70.5	64%	0.643	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.2	-172.7	26.3	-35.4	0	0	0	114.3	Y123 F177	Y123-P376 HydrophobicContact CD2-CB 4.03Å; Y123-P376 HydrophobicContact CD2-CG 4.2Å; Y123-P376 HydrophobicContact CE2-CB 4.43Å; Y123-P376 HydrophobicContact CE2-CG 4.11Å; F177-P376 VanDerWaalsContact CD1-O 3.24Å; F177-P376 WeakPolarHBondContact CD1-O 3.19Å; F177-P376 WeakPolarHBondContact CE1-O 3.04Å
377	G	93	Very high	93.1	Very high	22 Å²	22	69.1 Å²	69.1	23%	0.227	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	15.4	175	0	0	0	0	0	113.8	G375	G375-G377 PolarHBondContact O-N 3.49Å
378	D	94.5	Very high	92.7	Very high	23 Å²	23	73.4 Å²	73.4	12%	0.123	40%	0.398	C	S	.	.			trans	-68.4	133.2	-179.7	-169.2	6.4	0	0	0	110.9	F177 K374 G375 S380	F177-D378 VanDerWaalsContact CZ-O 3.26Å; F177-D378 WeakPolarHBondContact CZ-O 3.14Å; K374-D378 WeakPolarHBondContact CB-OD2 3.33Å; K374-D378 PolarHBondContact N-OD2 2.99Å; G375-D378 VanDerWaalsContact O-CB 3.29Å; G375-D378 WeakPolarHBondContact O-CB 3.42Å; G375-D378 PolarHBondContact O-N 2.79Å; G375-D378 VanDerWaalsContact O-N 3.1Å; D378-S380 WeakPolarHBondContact OD1-CB 2.99Å; D378-S380 PolarHBondContact OD1-N 3.37Å; D378-S380 PolarHBondContact OD1-OG 3.3Å; D378-S380 PolarHBondContact OD2-OG 3.07Å
379	T	93.7	Very high	92.4	Very high	25 Å²	25	75.8 Å²	75.8	15%	0.153	41%	0.413	C	S	.	.			trans	-121.1	12.6	-178.6	56.3	0	0	0	0	112.2	K102 L104 L114 F177 N381 F382	K102-T379 HydrophobicContact CD-CG2 4.21Å; K102-T379 WeakPolarHBondContact CD-OG1 3.46Å; L104-T379 HydrophobicContact CD2-CG2 3.73Å; L114-T379 HydrophobicContact CD2-CG2 3.48Å; L114-T379 VanDerWaalsContact CD2-CG2 3.48Å; F177-T379 HydrophobicContact CZ-CG2 4.37Å; T379-N381 PolarHBondContact O-N 2.73Å; T379-N381 VanDerWaalsContact O-N 3.14Å; T379-F382 PolarHBondContact O-N 2.74Å
380	S	93.5	Very high	92.2	Very high	71 Å²	71	76.2 Å²	76.2	50%	0.497	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.2	-177.8	64.5	0	0	0	0	114.7	D378 F382	D378-S380 WeakPolarHBondContact OD1-CB 2.99Å; D378-S380 PolarHBondContact OD1-N 3.37Å; D378-S380 PolarHBondContact OD1-OG 3.3Å; D378-S380 PolarHBondContact OD2-OG 3.07Å; S380-F382 VanDerWaalsContact C-N 3.34Å
381	N	91.9	Very high	92	Very high	33 Å²	33	80.8 Å²	80.8	18%	0.176	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.5	175.6	-59.2	-54.2	0	0	0	113.1	S179 P372 T379	S179-N381 PolarHBondContact O-ND2 3.15Å; P372-N381 PolarHBondContact O-ND2 2.89Å; T379-N381 PolarHBondContact O-N 2.73Å; T379-N381 VanDerWaalsContact O-N 3.14Å
382	F	89	Confident	92.1	Very high	30 Å²	30	84.2 Å²	84.2	13%	0.132	44%	0.443	C	S	.	.	S	Bend	trans	-119.1	147.6	178	-65.3	-92	0	0	0	110.6	L104 F177 V178 T379 S380	L104-F382 HydrophobicContact CB-CD1 4.23Å; L104-F382 HydrophobicContact CD2-CB 4.3Å; L104-F382 HydrophobicContact CD2-CD1 4.25Å; L104-F382 HydrophobicContact CD2-CD2 4.03Å; L104-F382 HydrophobicContact CD2-CE2 4.43Å; L104-F382 HydrophobicContact CD2-CG 3.93Å; F177-F382 AromaticContact CE2-CE2 3.72Å; F177-F382 HydrophobicContact CE2-CE2 3.72Å; F177-F382 AromaticContact CE2-CZ 4Å; F177-F382 HydrophobicContact CE2-CZ 4Å; F177-F382 AromaticContact CZ-CE2 3.93Å; F177-F382 HydrophobicContact CZ-CE2 3.93Å; V178-F382 VanDerWaalsContact O-CZ 3.27Å; V178-F382 WeakPolarHBondContact O-CZ 3.13Å; T379-F382 PolarHBondContact O-N 2.74Å; S380-F382 VanDerWaalsContact C-N 3.34Å
383	D	89.2	Confident	92.2	Very high	110 Å²	110	81.8 Å²	81.8	59%	0.588	43%	0.428	S	S	*	.			trans	-66.7	158.4	176.1	-65.3	-35.8	0	0	0	112.1	Y385	D383-Y385 HydrophobicContact CB-CE2 3.81Å; D383-Y385 WeakPolarHBondContact O-CD2 3.17Å
384	D	92.1	Very high	92.4	Very high	139 Å²	139	89.7 Å²	89.7	74%	0.743	46%	0.458	S	S	*	.			trans	-86.6	126.9	173.9	-69.9	-45.3	0	0	0	110.6	K102	K102-D384 VanDerWaalsContact CE-OD1 3.25Å; K102-D384 WeakPolarHBondContact CE-OD1 3.4Å; K102-D384 IonicContact NZ-OD1 2.78Å; K102-D384 PolarHBondContact NZ-OD1 3.39Å
385	Y	93.3	Very high	92.6	Very high	80 Å²	80	84.6 Å²	84.6	31%	0.314	44%	0.443	S	S	.	.			trans	-117.3	156.9	178	-66.3	-91.5	0	0	0	111.1	T103 L104 T106 D383 E387	T103-Y385 HydrophobicContact CG2-CD2 4.5Å; T103-Y385 HydrophobicContact CG2-CG 4.22Å; L104-Y385 VanDerWaalsContact O-CE2 3.31Å; L104-Y385 WeakPolarHBondContact O-CE2 3.08Å; T106-Y385 HydrophobicContact CG2-CD1 3.88Å; T106-Y385 HydrophobicContact CG2-CE1 4.49Å; T106-Y385 HydrophobicContact CG2-CG 4.37Å; D383-Y385 HydrophobicContact CB-CE2 3.81Å; D383-Y385 WeakPolarHBondContact O-CD2 3.17Å; Y385-E387 PolarHBondContact O-N 3.19Å
386	E	93	Very high	92.8	Very high	160 Å²	160	87 Å²	87	75%	0.748	45%	0.448	S	S	*	.			trans	-68.5	123.7	175	-173.4	177.8	174.2	0	0	111.5	E388	E386-E388 PolarHBondContact O-N 2.72Å
387	E	93.7	Very high	93	Very high	91 Å²	91	85.9 Å²	85.9	43%	0.425	43%	0.432	S	S	.	.			trans	-78.8	104	178.6	-62.8	-60.5	166.6	0	0	111.7	K102 T103 Y385	K102-E387 WeakPolarHBondContact CA-OE1 3.4Å; T103-E387 PolarHBondContact N-OE1 3.47Å; T103-E387 PolarHBondContact N-OE2 3.33Å; T103-E387 PolarHBondContact OG1-OE2 3.35Å; Y385-E387 PolarHBondContact O-N 3.19Å
388	E	89.9	Confident	93.1	Very high	111 Å²	111	86 Å²	86	52%	0.519	43%	0.429	S	S	.	.			trans	-93.2	143.2	173	-51.8	175.7	150.5	0	0	112.7	R111 E386 L390	R111-E388 IonicContact CZ-OE2 2.69Å; R111-E388 VanDerWaalsContact NH1-N 3.19Å; R111-E388 PolarHBondContact NH1-O 2.86Å; R111-E388 VanDerWaalsContact NH1-O 3.1Å; R111-E388 IonicContact NH2-OE2 2.63Å; R111-E388 PolarHBondContact NH2-OE2 2.69Å; E386-E388 PolarHBondContact O-N 2.72Å; E388-L390 PolarHBondContact O-N 3.01Å
389	P	90.5	Very high	93.1	Very high	98 Å²	98	88 Å²	88	64%	0.636	45%	0.445	S	S	*	.			trans	-67.5	129.8	174.9	27.4	-34.1	0	0	0	111.8	R391	P389-R391 PolarHBondContact O-N 2.81Å
390	L	92.4	Very high	93.2	Very high	44 Å²	44	95 Å²	95	23%	0.23	47%	0.473	C	S	.	.			trans	-73.2	111.8	173.8	-175.7	62.9	0	0	0	110.7	L95 I128 Y172 E388	L95-L390 HydrophobicContact CD1-CD2 4.09Å; L95-L390 HydrophobicContact CD2-CD2 3.58Å; L95-L390 HydrophobicContact CG-CD2 4.48Å; I128-L390 HydrophobicContact CD1-CD2 4.22Å; I128-L390 HydrophobicContact CG2-CD1 3.86Å; Y172-L390 HydrophobicContact CE1-CD2 4.06Å; E388-L390 PolarHBondContact O-N 3.01Å
391	R	91.6	Very high	93.4	Very high	207 Å²	207	95.8 Å²	95.8	78%	0.781	47%	0.469	S	S	*	.			trans	-97.9	128.6	179.3	-62.1	-177.5	-177	-171.6	1.6	110.4	P389	P389-R391 PolarHBondContact O-N 2.81Å
392	I	95.5	Very high	93.5	Very high	82 Å²	82	94.3 Å²	94.3	42%	0.421	46%	0.461	S	S	.	.			trans	-113.4	120	175	-55.9	170.4	0	0	0	108	L95 D167 N168	L95-I392 HydrophobicContact CD2-CD1 3.7Å; D167-I392 HydrophobicContact CB-CG2 4.28Å; D167-I392 WeakPolarHBondContact OD2-CD1 3.37Å; D167-I392 WeakPolarHBondContact OD2-CG1 3.44Å; N168-I392 HydrophobicContact CB-CG2 4.17Å
393	S	95.4	Very high	93.7	Very high	32 Å²	32	99.9 Å²	99.9	22%	0.224	49%	0.487	C	S	.	.			trans	-67.9	153.5	178	-174.1	0	0	0	0	111.9	N168 S169 T395 Y397	N168-S393 WeakPolarHBondContact CB-O 3.48Å; N168-S393 PolarHBondContact ND2-O 3.3Å; S169-S393 WeakPolarHBondContact OG-CB 3.28Å; S169-S393 PolarHBondContact OG-N 3.19Å; S393-T395 VanDerWaalsContact C-N 3.26Å; S393-T395 WeakPolarHBondContact CB-O 3.24Å; S393-T395 PolarHBondContact OG-N 3.36Å; S393-T395 VanDerWaalsContact OG-N 3.07Å; S393-T395 PolarHBondContact OG-O 3.1Å; S393-Y397 VanDerWaalsContact OG-CE2 3.29Å; S393-Y397 WeakPolarHBondContact OG-CE2 3.35Å; S393-Y397 PolarHBondContact OG-OH 2.83Å
394	K	95.4	Very high	93.8	Very high	208 Å²	208	102.5 Å²	102.5	90%	0.904	50%	0.496	S	S	*	.	S	Bend	trans	-74.2	-21.8	167	-65.6	-176.5	179.3	-179.4	0	112.2	N168	N168-K394 PolarHBondContact ND2-O 3.19Å
395	T	95.1	Very high	93.8	Very high	82 Å²	82	97 Å²	97	50%	0.503	47%	0.465	S	S	.	.	S	Bend	trans	-94.2	129.7	178.3	-56.9	0	0	0	0	109.6	S393 Y397	S393-T395 VanDerWaalsContact C-N 3.26Å; S393-T395 WeakPolarHBondContact CB-O 3.24Å; S393-T395 PolarHBondContact OG-N 3.36Å; S393-T395 VanDerWaalsContact OG-N 3.07Å; S393-T395 PolarHBondContact OG-O 3.1Å; T395-Y397 HydrophobicContact CG2-CD1 4.33Å; T395-Y397 HydrophobicContact CG2-CE1 3.99Å; T395-Y397 PolarHBondContact O-N 3.22Å
396	D	95.8	Very high	93.9	Very high	79 Å²	79	97.8 Å²	97.8	42%	0.422	47%	0.473	S	S	.	.			trans	-74.9	110.9	174	-173.2	14.9	0	0	0	110.8	K131 S399	K131-D396 IonicContact NZ-OD1 2.74Å; K131-D396 PolarHBondContact NZ-OD1 3.43Å; D396-S399 WeakPolarHBondContact OD2-CB 3.29Å
397	Y	95	Very high	93.9	Very high	76 Å²	76	94.5 Å²	94.5	30%	0.298	46%	0.459	S	S	.	.			trans	-90.9	142	179.5	-65.7	-58.5	0	0	0	111.7	K131 Q132 N168 S393 T395 S399	K131-Y397 WeakPolarHBondContact CD-O 3.35Å; K131-Y397 WeakPolarHBondContact CE-O 3.37Å; K131-Y397 PolarHBondContact NZ-O 3.02Å; Q132-Y397 HydrophobicContact CG-CD1 4.45Å; Q132-Y397 HydrophobicContact CG-CD2 4.25Å; Q132-Y397 HydrophobicContact CG-CG 3.96Å; N168-Y397 PolarHBondContact O-N 2.83Å; S393-Y397 VanDerWaalsContact OG-CE2 3.29Å; S393-Y397 WeakPolarHBondContact OG-CE2 3.35Å; S393-Y397 PolarHBondContact OG-OH 2.83Å; T395-Y397 HydrophobicContact CG2-CD1 4.33Å; T395-Y397 HydrophobicContact CG2-CE1 3.99Å; T395-Y397 PolarHBondContact O-N 3.22Å; Y397-S399 PolarHBondContact O-N 2.73Å; Y397-S399 VanDerWaalsContact O-N 3.15Å
398	C	95.6	Very high	93.9	Very high	26 Å²	26	94.7 Å²	94.7	18%	0.176	46%	0.46	C	S	.	.	S	Bend	trans	55.4	32.7	170.1	-49	0	0	0	0	114	K131 V135 K400 E401 F402	K131-C398 HydrophobicContact CB-CB 4.1Å; V135-C398 HydrophobicContact CG2-CB 4.01Å; C398-K400 VanDerWaalsContact C-N 3.27Å; C398-K400 PolarHBondContact O-N 2.77Å; C398-E401 WeakPolarHBondContact CA-OE2 3.37Å; C398-E401 HydrophobicContact CB-CB 4.35Å; C398-E401 PolarHBondContact O-N 3.07Å; C398-F402 HydrophobicContact CB-CD2 3.76Å; C398-F402 HydrophobicContact CB-CE2 3.74Å; C398-F402 VanDerWaalsContact O-CD2 3.3Å; C398-F402 WeakPolarHBondContact O-CD2 3.28Å; C398-F402 PolarHBondContact O-N 3.04Å
399	S	93.8	Very high	94.2	Very high	65 Å²	65	93.8 Å²	93.8	46%	0.455	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-36	-175.4	56.7	0	0	0	0	112.7	D396 Y397 F402 E403	D396-S399 WeakPolarHBondContact OD2-CB 3.29Å; Y397-S399 PolarHBondContact O-N 2.73Å; Y397-S399 VanDerWaalsContact O-N 3.15Å; S399-F402 CarbonylContact O-C 3.59Å; S399-E403 WeakPolarHBondContact O-CA 3.49Å; S399-E403 PolarHBondContact O-N 3.27Å; S399-E403 VanDerWaalsContact O-N 3.1Å
400	K	95.6	Very high	94.4	Very high	172 Å²	172	93.5 Å²	93.5	75%	0.748	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-40.9	177.8	-170.8	178.4	-178.5	-179.7	0	112.1	C398 F402	C398-K400 VanDerWaalsContact C-N 3.27Å; C398-K400 PolarHBondContact O-N 2.77Å; K400-F402 VanDerWaalsContact C-N 3.28Å; K400-F402 PolarHBondContact O-N 3.29Å
401	E	96.7	Very high	94.5	Very high	86 Å²	86	96.8 Å²	96.8	40%	0.402	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.9	-179.6	-67.4	85.4	164.3	0	0	112.5	V135 V140 C398	V135-E401 HydrophobicContact CG2-CB 4.23Å; V135-E401 HydrophobicContact CG2-CG 4.1Å; V140-E401 HydrophobicContact CG1-CB 4.26Å; V140-E401 WeakPolarHBondContact CG1-O 3.46Å; V140-E401 HydrophobicContact CG2-CB 4.49Å; C398-E401 WeakPolarHBondContact CA-OE2 3.37Å; C398-E401 HydrophobicContact CB-CB 4.35Å; C398-E401 PolarHBondContact O-N 3.07Å
402	F	95.4	Very high	94.7	Very high	2 Å²	2	88.9 Å²	88.9	1%	0.009	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	26.8	-178	-57.9	-68.1	0	0	0	112.9	K131 V134 V135 V140 L144 K166 L171 C398 S399 K400 E404 F405	K131-F402 HydrophobicContact CB-CD2 4.06Å; K131-F402 HydrophobicContact CB-CE2 3.72Å; K131-F402 HydrophobicContact CD-CD2 3.63Å; K131-F402 HydrophobicContact CD-CE2 4.21Å; K131-F402 HydrophobicContact CD-CG 4.39Å; K131-F402 HydrophobicContact CG-CD2 3.69Å; K131-F402 HydrophobicContact CG-CE2 3.77Å; V134-F402 HydrophobicContact CB-CZ 3.88Å; V134-F402 HydrophobicContact CG1-CE1 3.92Å; V134-F402 HydrophobicContact CG1-CZ 3.56Å; V135-F402 HydrophobicContact CG2-CE2 3.81Å; V135-F402 HydrophobicContact CG2-CZ 4.03Å; V140-F402 HydrophobicContact CB-CE1 4.35Å; V140-F402 HydrophobicContact CG1-CD1 4.38Å; V140-F402 HydrophobicContact CG1-CE1 3.93Å; V140-F402 HydrophobicContact CG1-CZ 4.44Å; V140-F402 HydrophobicContact CG2-CE1 4.24Å; V140-F402 HydrophobicContact CG2-CZ 3.99Å; L144-F402 HydrophobicContact CD2-CD1 4.38Å; K166-F402 PolarHBondContact NZ-O 3.39Å; L171-F402 HydrophobicContact CD1-CD1 3.52Å; L171-F402 HydrophobicContact CD1-CD2 4.38Å; L171-F402 HydrophobicContact CD1-CE1 3.53Å; L171-F402 HydrophobicContact CD1-CE2 4.39Å; L171-F402 HydrophobicContact CD1-CG 3.96Å; L171-F402 HydrophobicContact CD1-CZ 3.99Å; L171-F402 HydrophobicContact CD2-CB 4Å; L171-F402 HydrophobicContact CD2-CD1 4.3Å; L171-F402 HydrophobicContact CD2-CD2 4.4Å; L171-F402 HydrophobicContact CD2-CG 3.98Å; L171-F402 HydrophobicContact CG-CD1 4.49Å; C398-F402 HydrophobicContact CB-CD2 3.76Å; C398-F402 HydrophobicContact CB-CE2 3.74Å; C398-F402 VanDerWaalsContact O-CD2 3.3Å; C398-F402 WeakPolarHBondContact O-CD2 3.28Å; C398-F402 PolarHBondContact O-N 3.04Å; S399-F402 CarbonylContact O-C 3.59Å; K400-F402 VanDerWaalsContact C-N 3.28Å; K400-F402 PolarHBondContact O-N 3.29Å; F402-E404 VanDerWaalsContact C-N 3.27Å; F402-E404 PolarHBondContact O-N 3.46Å; F402-F405 HydrophobicContact CB-CB 4.1Å; F402-F405 WeakPolarHBondContact O-CB 3.37Å; F402-F405 PolarHBondContact O-N 3.23Å
403	E	93.5	Very high	94.7	Very high	148 Å²	148	89.5 Å²	89.5	69%	0.692	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-44.4	178.6	-175.8	171.9	-169.5	0	0	111.1	K166 S399 F405	K166-E403 PolarHBondContact NZ-O 2.92Å; S399-E403 WeakPolarHBondContact O-CA 3.49Å; S399-E403 PolarHBondContact O-N 3.27Å; S399-E403 VanDerWaalsContact O-N 3.1Å; E403-F405 PolarHBondContact O-N 3.3Å
404	E	90.5	Very high	94.6	Very high	165 Å²	165	94.3 Å²	94.3	77%	0.771	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.6	-178.9	-60	-171.4	167.7	0	0	115.1	F402	F402-E404 VanDerWaalsContact C-N 3.27Å; F402-E404 PolarHBondContact O-N 3.46Å
405	F	92.9	Very high	94.5	Very high	22 Å²	22	83.9 Å²	83.9	10%	0.096	42%	0.416	C	S	.	.			trans	-63.6	0	178	-172.6	-81.1	0	0	0	110.9	T143 L144 K147 F165 K166 L171 M173 F402 E403	T143-F405 HydrophobicContact CG2-CD2 4.3Å; T143-F405 HydrophobicContact CG2-CE2 3.97Å; L144-F405 HydrophobicContact CD2-CB 3.86Å; L144-F405 HydrophobicContact CD2-CD2 4.23Å; K147-F405 HydrophobicContact CB-CD2 4.31Å; K147-F405 HydrophobicContact CB-CE2 3.84Å; K147-F405 HydrophobicContact CB-CZ 4.28Å; K147-F405 WeakPolarHBondContact CD-OXT 3.22Å; K147-F405 WeakPolarHBondContact CE-OXT 3.44Å; K147-F405 HydrophobicContact CG-CD2 4.39Å; K147-F405 HydrophobicContact CG-CE1 4.41Å; K147-F405 HydrophobicContact CG-CE2 3.99Å; K147-F405 HydrophobicContact CG-CZ 3.99Å; K147-F405 PolarHBondContact NZ-OXT 3.49Å; F165-F405 WeakPolarHBondContact O-CE1 3.43Å; K166-F405 HydrophobicContact CB-CD1 4.36Å; K166-F405 HydrophobicContact CD-CB 4.2Å; K166-F405 HydrophobicContact CD-CD1 4.39Å; K166-F405 PolarHBondContact NZ-O 2.99Å; L171-F405 HydrophobicContact CB-CD1 4.45Å; L171-F405 HydrophobicContact CB-CD2 4.33Å; L171-F405 HydrophobicContact CB-CE1 4.01Å; L171-F405 HydrophobicContact CB-CE2 3.87Å; L171-F405 HydrophobicContact CB-CZ 3.69Å; L171-F405 HydrophobicContact CD1-CD2 3.81Å; L171-F405 HydrophobicContact CD1-CE2 3.91Å; L171-F405 HydrophobicContact CD1-CG 4.39Å; L171-F405 HydrophobicContact CD2-CB 4.26Å; L171-F405 HydrophobicContact CD2-CD1 3.97Å; L171-F405 HydrophobicContact CD2-CD2 4.1Å; L171-F405 HydrophobicContact CD2-CE1 4.36Å; L171-F405 HydrophobicContact CD2-CE2 4.48Å; L171-F405 HydrophobicContact CD2-CG 3.83Å; L171-F405 HydrophobicContact CG-CD2 4.29Å; L171-F405 HydrophobicContact CG-CE2 4.29Å; L171-F405 HydrophobicContact CG-CG 4.49Å; L171-F405 HydrophobicContact CG-CZ 4.49Å; M173-F405 HydrophobicContact CG-CZ 3.88Å; F402-F405 HydrophobicContact CB-CB 4.1Å; F402-F405 WeakPolarHBondContact O-CB 3.37Å; F402-F405 PolarHBondContact O-N 3.23Å; E403-F405 PolarHBondContact O-N 3.3Å

Retrieved 405 of 405 residues in 107.6 ms (Link to these results)

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