A0A068FB60_HUMAN Loading...

Glucosylceramidase

AlphaFold DB , UniProt , Accession A0A068FB60, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 424 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	35.1	Very low	37	Very low	237 Å²	237	152.3 Å²	152.3	100%	1.167	80%	0.803	S	S	*	*				0	126.8	0	-71.5	163.8	-179.9	0	0	106.5
2	E	34	Very low	37.5	Very low	155 Å²	155	149.4 Å²	149.4	72%	0.724	80%	0.8	S	S	*	*			cis	-172.2	136.1	-1.5	-111.4	-170.8	145.4	0	0	102.9
3	F	33.3	Very low	37.3	Very low	181 Å²	181	153 Å²	153	79%	0.794	80%	0.804	S	S	*	*			trans	51.4	144.3	148.9	-65.2	-73.7	0	0	0	120
4	S	35.9	Very low	37.9	Very low	95 Å²	95	149.8 Å²	149.8	66%	0.664	80%	0.797	S	S	*	*			cis	-176.6	127.2	10.9	37.5	0	0	0	0	108.8
5	S	38.5	Very low	37.4	Very low	112 Å²	112	150.6 Å²	150.6	78%	0.783	80%	0.8	S	S	*	*				42.5	165.9	117.6	-9	0	0	0	0	122.8
6	P	60.3	Low	37	Very low	122 Å²	122	147.4 Å²	147.4	79%	0.792	79%	0.793	S	S	*	*				-134.5	-175.8	-121.5	33.9	-9	0	0	0	115
7	S	34.9	Very low	36.9	Very low	110 Å²	110	152.9 Å²	152.9	77%	0.769	80%	0.8	S	S	*	*			trans	-172.6	118.6	151.3	41.8	0	0	0	0	109.9
8	R	36.3	Very low	36.6	Very low	222 Å²	222	152.4 Å²	152.4	84%	0.838	80%	0.804	S	S	*	*				62.9	128.8	80.7	-77.1	-168.4	-176.1	-167.7	2.4	111.9
9	E	33.9	Very low	36.3	Very low	144 Å²	144	150.3 Å²	150.3	67%	0.673	80%	0.803	S	S	*	*			cis	-162.9	139.3	33.8	-106.9	147.8	-163.5	0	0	108.4
10	E	32.6	Very low	36.2	Very low	182 Å²	182	150.5 Å²	150.5	85%	0.85	80%	0.803	S	S	*	*				50.4	137.1	103.4	-74.3	-173.1	168.4	0	0	115.9
11	C	32.6	Very low	35.8	Very low	115 Å²	115	152.5 Å²	152.5	78%	0.777	81%	0.809	S	S	*	*			cis	-179.8	-171.4	-0.9	-132.9	0	0	0	0	104.8
12	P	42.3	Very low	35.9	Very low	118 Å²	118	146 Å²	146	77%	0.766	79%	0.794	S	S	*	*			cis	-126	178.3	-46.9	31.5	-10.1	0	0	0	114.8
13	K	35.7	Very low	35.8	Very low	196 Å²	196	142 Å²	142	85%	0.852	79%	0.793	S	S	*	*			trans	-50.4	-177.2	177.1	-60.5	173.8	176.6	172	0	116.2
14	P	44.6	Very low	36.2	Very low	108 Å²	108	138.5 Å²	138.5	70%	0.701	79%	0.792	S	S	*	*			cis	-150.9	-177.1	17.2	39.1	-15.6	0	0	0	120
15	L	31.2	Very low	36.1	Very low	162 Å²	162	142.1 Å²	142.1	85%	0.848	80%	0.803	S	S	*	*			trans	106.2	130	155.1	-62.5	144	0	0	0	113
16	S	31.1	Very low	36.1	Very low	99 Å²	99	142.7 Å²	142.7	69%	0.692	80%	0.802	S	S	*	*			cis	-163.4	148.4	1.8	48.9	0	0	0	0	108.1
17	R	35	Very low	34.8	Very low	242 Å²	242	140 Å²	140	91%	0.913	80%	0.796	S	S	*	*			trans	13.7	113.5	158.2	-65.5	177.4	176.1	-168	-2.5	118.8
18	V	31.4	Very low	35	Very low	144 Å²	144	141.5 Å²	141.5	87%	0.873	80%	0.795	S	S	*	*			trans	-119	116.8	146.9	179.5	0	0	0	0	108.1
19	S	30.8	Very low	35.1	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	80%	0.795	S	S	*	*			trans	-117.1	114	163.5	-76.3	0	0	0	0	108.3
20	I	33.6	Very low	35.3	Very low	154 Å²	154	138 Å²	138	79%	0.79	80%	0.795	S	S	*	*			trans	20.9	116.2	138	-48	173.7	0	0	0	116.2
21	M	29.2	Very low	35.5	Very low	192 Å²	192	136.5 Å²	136.5	95%	0.946	79%	0.793	S	S	*	*			trans	-137.2	129.6	137.6	-91.4	-112	180	0	0	108.7
22	A	37.4	Very low	35.6	Very low	102 Å²	102	138.6 Å²	138.6	84%	0.843	79%	0.791	S	S	*	*			trans	-65.9	139.4	178.4	0	0	0	0	0	111.4
23	G	30.9	Very low	35.4	Very low	69 Å²	69	137.3 Å²	137.3	71%	0.711	79%	0.79	S	S	*	*			trans	-140.5	112.3	170.1	0	0	0	0	0	109.5
24	S	41.3	Very low	35.3	Very low	108 Å²	108	132 Å²	132	76%	0.755	77%	0.774	S	S	*	*			trans	-65.9	132.9	176.1	67.4	0	0	0	0	110.8
25	L	35.6	Very low	34.8	Very low	171 Å²	171	131.8 Å²	131.8	90%	0.895	78%	0.775	S	S	*	*			trans	-123.3	73.6	165.6	-109.4	99.5	0	0	0	110.1	G27	L25-G27 VanDerWaalsContact C-N 3.31Å; L25-G27 PolarHBondContact O-N 2.87Å
26	T	37.5	Very low	35	Very low	125 Å²	125	134.5 Å²	134.5	77%	0.767	77%	0.774	S	S	*	*			trans	-79.3	86.6	151.9	40.6	0	0	0	0	107.8	L28	T26-L28 PolarHBondContact O-N 3.28Å
27	G	34.1	Very low	35.4	Very low	65 Å²	65	134.4 Å²	134.4	67%	0.67	78%	0.78	S	S	*	*			trans	-80.8	98	169.4	0	0	0	0	0	109.9	L25 L29	L25-G27 VanDerWaalsContact C-N 3.31Å; L25-G27 PolarHBondContact O-N 2.87Å; G27-L29 PolarHBondContact O-N 3.26Å
28	L	37.7	Very low	36.4	Very low	142 Å²	142	125.8 Å²	125.8	74%	0.743	76%	0.756	S	S	*	*			trans	-61.1	112.9	164.3	-98.5	86.4	0	0	0	109	T26 L30	T26-L28 PolarHBondContact O-N 3.28Å; L28-L30 HydrophobicContact CB-CD1 4.41Å; L28-L30 HydrophobicContact CD2-CD1 3.74Å; L28-L30 HydrophobicContact CD2-CG 4.2Å; L28-L30 PolarHBondContact O-N 2.64Å
29	L	38.7	Very low	38.2	Very low	160 Å²	160	120.9 Å²	120.9	84%	0.838	74%	0.735	S	S	*	*			trans	-74.3	80.5	158.1	-104.6	141.5	0	0	0	108.1	G27 L31	G27-L29 PolarHBondContact O-N 3.26Å; L29-L31 VanDerWaalsContact C-N 3.27Å; L29-L31 PolarHBondContact O-N 2.61Å; L29-L31 VanDerWaalsContact O-N 3.13Å
30	L	37.7	Very low	40.8	Very low	131 Å²	131	118 Å²	118	69%	0.686	72%	0.718	S	S	*	*			trans	-76	86	160.6	-93.7	149.1	0	0	0	107.5	L28 Q32	L28-L30 HydrophobicContact CB-CD1 4.41Å; L28-L30 HydrophobicContact CD2-CD1 3.74Å; L28-L30 HydrophobicContact CD2-CG 4.2Å; L28-L30 PolarHBondContact O-N 2.64Å; L30-Q32 PolarHBondContact O-N 3.21Å
31	L	37.9	Very low	43.7	Very low	152 Å²	152	113.4 Å²	113.4	80%	0.796	69%	0.691	S	S	*	*			trans	-62.4	94.8	154.1	-91.5	148.1	0	0	0	106.4	L29 A33	L29-L31 VanDerWaalsContact C-N 3.27Å; L29-L31 PolarHBondContact O-N 2.61Å; L29-L31 VanDerWaalsContact O-N 3.13Å; L31-A33 PolarHBondContact O-N 3.14Å
32	Q	35	Very low	47	Very low	158 Å²	158	108.6 Å²	108.6	74%	0.738	67%	0.674	S	S	*	*			trans	-62.8	93.8	162.1	-74.7	-172.5	-15.6	0	0	107	L30 V34	L30-Q32 PolarHBondContact O-N 3.21Å; Q32-V34 HydrophobicContact CB-CG2 4.01Å; Q32-V34 PolarHBondContact O-N 3.46Å
33	A	37.7	Very low	49.9	Very low	91 Å²	91	104.9 Å²	104.9	75%	0.752	64%	0.641	S	S	*	*			trans	-62.1	88.8	150.2	0	0	0	0	0	105.7	L31 S35	L31-A33 PolarHBondContact O-N 3.14Å; A33-S35 PolarHBondContact O-N 3.2Å
34	V	32.4	Very low	53.1	Low	84 Å²	84	105.3 Å²	105.3	51%	0.509	63%	0.627	S	S	.	*			trans	-71.1	85.6	165.9	-169.3	0	0	0	0	105.3	Q32 W36	Q32-V34 HydrophobicContact CB-CG2 4.01Å; Q32-V34 PolarHBondContact O-N 3.46Å; V34-W36 HydrophobicContact CG1-CD2 4.39Å; V34-W36 HydrophobicContact CG1-CG 4.08Å; V34-W36 VanDerWaalsContact CG1-NE1 3.28Å; V34-W36 PolarHBondContact O-N 3.19Å
35	S	34.2	Very low	55.8	Low	104 Å²	104	104.2 Å²	104.2	73%	0.727	62%	0.617	S	S	*	*			trans	-63.6	89.9	157.9	54.8	0	0	0	0	106	A33 A37	A33-S35 PolarHBondContact O-N 3.2Å; S35-A37 PolarHBondContact O-N 2.88Å
36	W	35.8	Very low	58.8	Low	220 Å²	220	101.2 Å²	101.2	83%	0.833	60%	0.597	S	S	*	*			trans	-63.7	90.1	158.6	-70.5	83.2	0	0	0	105.6	V34 S38	V34-W36 HydrophobicContact CG1-CD2 4.39Å; V34-W36 HydrophobicContact CG1-CG 4.08Å; V34-W36 VanDerWaalsContact CG1-NE1 3.28Å; V34-W36 PolarHBondContact O-N 3.19Å; W36-S38 PolarHBondContact O-N 3.28Å
37	A	40	Very low	61.7	Low	97 Å²	97	98.8 Å²	98.8	80%	0.802	58%	0.584	S	S	*	*			trans	-67.5	78.7	157.5	0	0	0	0	0	105.7	S35 G39	S35-A37 PolarHBondContact O-N 2.88Å; A37-G39 PolarHBondContact O-N 3.32Å; A37-G39 VanDerWaalsContact O-N 3.09Å
38	S	55.9	Low	64.7	Low	60 Å²	60	100.1 Å²	100.1	42%	0.42	57%	0.572	S	S	.	*			trans	-68.6	104.2	167.6	52.9	0	0	0	0	105.7	W36	W36-S38 PolarHBondContact O-N 3.28Å
39	G	68.3	Low	67.5	Low	42 Å²	42	96.7 Å²	96.7	43%	0.433	57%	0.571	S	S	.	*			trans	-54.3	166.7	173.8	0	0	0	0	0	111.9	A37 R41 D66	A37-G39 PolarHBondContact O-N 3.32Å; A37-G39 VanDerWaalsContact O-N 3.09Å; G39-R41 PolarHBondContact O-N 2.92Å; G39-D66 WeakPolarHBondContact CA-OD1 3.28Å
40	A	85.7	Confident	70.2	Confident	51 Å²	51	92.6 Å²	92.6	42%	0.421	55%	0.545	S	S	.	.			trans	-41.5	128.4	-177.9	0	0	0	0	0	112.6	S64 D66	A40-S64 VanDerWaalsContact CA-O 3.3Å; A40-S64 WeakPolarHBondContact CA-O 3.46Å; A40-S64 WeakPolarHBondContact CB-O 3.4Å; A40-D66 HydrophobicContact CB-CB 4.5Å; A40-D66 WeakPolarHBondContact CB-OD2 3.28Å; A40-D66 PolarHBondContact N-OD1 3.42Å
41	R	95.8	Very high	73	Confident	58 Å²	58	88.5 Å²	88.5	22%	0.219	53%	0.528	C	S	.	.	B	Isolated β-bridge	trans	-105.1	130.3	179	-65.5	-170.7	-64	-178.3	0.8	109.3	G39 T60 C62 D63 S64	G39-R41 PolarHBondContact O-N 2.92Å; R41-T60 PolarHBondContact NH1-O 3.4Å; R41-C62 PolarHBondContact NE-O 2.99Å; R41-C62 PolarHBondContact NH2-O 3.45Å; R41-D63 WeakPolarHBondContact O-CA 3.42Å; R41-D63 VanDerWaalsContact O-CB 3.27Å; R41-D63 WeakPolarHBondContact O-CB 3.42Å; R41-S64 PolarHBondContact N-O 3.42Å; R41-S64 VanDerWaalsContact N-O 3.1Å; R41-S64 PolarHBondContact N-OG 3.48Å; R41-S64 PolarHBondContact O-N 2.87Å
42	P	97.3	Very high	75.9	Confident	90 Å²	90	81.6 Å²	81.6	58%	0.584	49%	0.492	S	S	*	.			trans	-73.5	159.3	-177.6	30.2	-36.3	0	0	0	112.7	I44 Y61	P42-I44 PolarHBondContact O-N 2.92Å; P42-Y61 WeakPolarHBondContact CD-OH 3.27Å; P42-Y61 PolarHBondContact O-OH 2.93Å
43	C	98.1	Very high	78.9	Confident	25 Å²	25	75.5 Å²	75.5	17%	0.169	47%	0.465	C	S	.	.			trans	-59.7	134.2	170.2	174.9	0	0	0	0	111.4	P45 C55 R87	C43-P45 VanDerWaalsContact O-CD 3.27Å; C43-P45 WeakPolarHBondContact O-CD 3.36Å; C43-C55 HydrophobicContact CB-CB 3.94Å; C43-C55 WeakPolarHBondContact CB-SG 3.5Å; C43-C55 WeakPolarHBondContact SG-CA 3.15Å; C43-C55 WeakPolarHBondContact SG-CB 3.39Å; C43-C55 CovalentContact SG-SG 2.04Å; C43-C55 PolarHBondContact SG-SG 2.94Å; C43-R87 HydrophobicContact CB-CB 4.1Å; C43-R87 HydrophobicContact CB-CG 3.91Å
44	I	98.5	Very high	81.8	Confident	78 Å²	78	73 Å²	73	40%	0.4	44%	0.441	S	S	.	.			trans	-94	101.1	166.2	-56.8	-59.9	0	0	0	108.2	P42 V56 Y61	P42-I44 PolarHBondContact O-N 2.92Å; I44-V56 HydrophobicContact CB-CB 4.47Å; I44-V56 HydrophobicContact CG2-CB 4.49Å; I44-V56 PolarHBondContact O-N 2.91Å; I44-Y61 HydrophobicContact CD1-CE1 3.99Å; I44-Y61 HydrophobicContact CG1-CD1 3.84Å; I44-Y61 HydrophobicContact CG1-CE1 3.36Å
45	P	98.3	Very high	84.9	Confident	85 Å²	85	70.7 Å²	70.7	55%	0.552	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	137.5	-168.9	31	-36	0	0	0	111.8	C43 V53 V54	C43-P45 VanDerWaalsContact O-CD 3.27Å; C43-P45 WeakPolarHBondContact O-CD 3.36Å; P45-V53 HydrophobicContact CB-CB 3.92Å; P45-V53 HydrophobicContact CB-CG1 4.14Å; P45-V53 HydrophobicContact CB-CG2 3.69Å; P45-V54 CarbonylContact C-O 3.5Å; P45-V54 WeakPolarHBondContact CA-O 3.28Å
46	K	98.4	Very high	88	Confident	108 Å²	108	68.3 Å²	68.3	47%	0.47	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.3	167.7	-172	172.3	179.6	177.5	0	110.8	F48 V53 V54 V56	K46-F48 HydrophobicContact CB-CE2 4.21Å; K46-F48 HydrophobicContact CD-CE2 3.76Å; K46-F48 HydrophobicContact CD-CZ 3.72Å; K46-F48 HydrophobicContact CG-CD2 4.31Å; K46-F48 HydrophobicContact CG-CE2 3.71Å; K46-F48 HydrophobicContact CG-CZ 4.15Å; K46-V53 WeakPolarHBondContact O-CA 3.37Å; K46-V54 HydrophobicContact CB-CG2 4.13Å; K46-V54 PolarHBondContact N-O 2.95Å; K46-V54 PolarHBondContact O-N 3.4Å; K46-V56 HydrophobicContact CB-CG2 3.49Å; K46-V56 VanDerWaalsContact CB-CG2 3.49Å; K46-V56 HydrophobicContact CD-CG2 4Å; K46-V56 HydrophobicContact CG-CG2 4.39Å
47	S	97.9	Very high	91	Very high	73 Å²	73	60.5 Å²	60.5	51%	0.51	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	144	173.3	-178	0	0	0	0	110.8	G49	S47-G49 PolarHBondContact OG-N 2.99Å
48	F	97.3	Very high	93.7	Very high	93 Å²	93	59.9 Å²	59.9	41%	0.408	37%	0.37	S	S	.	.			trans	-121.8	23.6	171.6	-69.7	-97.7	0	0	0	111.5	K46 V54 L393	K46-F48 HydrophobicContact CB-CE2 4.21Å; K46-F48 HydrophobicContact CD-CE2 3.76Å; K46-F48 HydrophobicContact CD-CZ 3.72Å; K46-F48 HydrophobicContact CG-CD2 4.31Å; K46-F48 HydrophobicContact CG-CE2 3.71Å; K46-F48 HydrophobicContact CG-CZ 4.15Å; F48-V54 HydrophobicContact CD2-CG2 4.21Å; F48-V54 HydrophobicContact CE2-CG2 3.74Å; F48-L393 HydrophobicContact CB-CB 3.88Å; F48-L393 HydrophobicContact CD1-CB 4.43Å; F48-L393 HydrophobicContact CD1-CD1 3.69Å; F48-L393 HydrophobicContact CD2-CB 3.59Å; F48-L393 HydrophobicContact CD2-CD1 3.95Å; F48-L393 HydrophobicContact CD2-CG 4.4Å; F48-L393 HydrophobicContact CE1-CD1 3.64Å; F48-L393 HydrophobicContact CE2-CB 4.19Å; F48-L393 HydrophobicContact CE2-CD1 3.91Å; F48-L393 HydrophobicContact CG-CB 3.72Å; F48-L393 HydrophobicContact CG-CD1 3.84Å; F48-L393 HydrophobicContact CG-CG 4.44Å; F48-L393 HydrophobicContact CZ-CD1 3.75Å
49	G	96	Very high	95.7	Very high	71 Å²	71	58.9 Å²	58.9	73%	0.732	37%	0.366	S	S	*	.	S	Bend	trans	87.7	5.1	177.6	0	0	0	0	0	115.5	S47	S47-G49 PolarHBondContact OG-N 2.99Å
50	Y	95.9	Very high	97.1	Very high	73 Å²	73	62.4 Å²	62.4	29%	0.286	38%	0.379	S	S	.	.	S	Bend	trans	-91.5	-175.7	172.9	-71	-70.6	0	0	0	112.4	S52 Q389 R392 L393	Y50-S52 PolarHBondContact O-N 3.01Å; Y50-S52 VanDerWaalsContact O-N 3.16Å; Y50-Q389 PolarHBondContact OH-NE2 3.38Å; Y50-Q389 PolarHBondContact OH-OE1 2.88Å; Y50-R392 HydrophobicContact CD1-CB 4.23Å; Y50-R392 HydrophobicContact CD2-CB 4.14Å; Y50-R392 HydrophobicContact CE1-CB 3.98Å; Y50-R392 HydrophobicContact CE1-CG 3.84Å; Y50-R392 HydrophobicContact CE2-CB 3.85Å; Y50-R392 HydrophobicContact CE2-CG 4.21Å; Y50-R392 HydrophobicContact CG-CB 4.32Å; Y50-L393 WeakPolarHBondContact CD2-O 3.31Å
51	S	96.5	Very high	97.7	Very high	46 Å²	46	62.8 Å²	62.8	32%	0.322	37%	0.37	S	S	.	.	S	Bend	trans	-67.9	-11.6	-171.2	52.7	0	0	0	0	115.5	R83 W396	S51-R83 WeakPolarHBondContact O-CG 3.14Å; S51-W396 WeakPolarHBondContact OG-CB 3.31Å; S51-W396 PolarHBondContact OG-N 3.15Å; S51-W396 VanDerWaalsContact OG-N 3.07Å
52	S	98.1	Very high	97.9	Very high	7 Å²	7	60.2 Å²	60.2	5%	0.049	36%	0.361	C	S	.	.	S	Bend	trans	-151.9	-163.5	176.4	-161.5	0	0	0	0	111.5	Y50 R83 R87 G394	Y50-S52 PolarHBondContact O-N 3.01Å; Y50-S52 VanDerWaalsContact O-N 3.16Å; S52-R83 WeakPolarHBondContact CB-O 3.4Å; S52-R83 PolarHBondContact OG-O 3.22Å; S52-R87 PolarHBondContact OG-NH2 3.42Å; S52-G394 CarbonylContact C-O 3.58Å; S52-G394 WeakPolarHBondContact CA-O 3.47Å; S52-G394 WeakPolarHBondContact CB-O 3.43Å; S52-G394 PolarHBondContact N-O 2.68Å
53	V	98.3	Very high	97.9	Very high	29 Å²	29	58 Å²	58	18%	0.176	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	153.9	-177.2	-61	0	0	0	0	111.8	P45 K46 R87	P45-V53 HydrophobicContact CB-CB 3.92Å; P45-V53 HydrophobicContact CB-CG1 4.14Å; P45-V53 HydrophobicContact CB-CG2 3.69Å; K46-V53 WeakPolarHBondContact O-CA 3.37Å; V53-R87 PolarHBondContact O-NH2 3.22Å
54	V	98.3	Very high	97.9	Very high	38 Å²	38	57.7 Å²	57.7	23%	0.23	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	161.6	162.3	-57.7	0	0	0	0	110.2	P45 K46 F48 V56 L393 G394	P45-V54 CarbonylContact C-O 3.5Å; P45-V54 WeakPolarHBondContact CA-O 3.28Å; K46-V54 HydrophobicContact CB-CG2 4.13Å; K46-V54 PolarHBondContact N-O 2.95Å; K46-V54 PolarHBondContact O-N 3.4Å; F48-V54 HydrophobicContact CD2-CG2 4.21Å; F48-V54 HydrophobicContact CE2-CG2 3.74Å; V54-V56 HydrophobicContact CG2-CG2 4.45Å; V54-L393 HydrophobicContact CG1-CB 4.12Å; V54-L393 HydrophobicContact CG1-CD2 4.4Å; V54-G394 VanDerWaalsContact CG1-N 3.26Å
55	C	98.5	Very high	97.7	Very high	36 Å²	36	56.2 Å²	56.2	24%	0.243	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.9	169	-58	0	0	0	0	109.3	C43 D63	C43-C55 HydrophobicContact CB-CB 3.94Å; C43-C55 WeakPolarHBondContact CB-SG 3.5Å; C43-C55 WeakPolarHBondContact SG-CA 3.15Å; C43-C55 WeakPolarHBondContact SG-CB 3.39Å; C43-C55 CovalentContact SG-SG 2.04Å; C43-C55 PolarHBondContact SG-SG 2.94Å; C55-D63 WeakPolarHBondContact CB-OD1 3.25Å
56	V	98.6	Very high	97.3	Very high	55 Å²	55	56.5 Å²	56.5	33%	0.333	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-88.1	121.3	-176.1	-178.8	0	0	0	0	109.8	I44 K46 V54	I44-V56 HydrophobicContact CB-CB 4.47Å; I44-V56 HydrophobicContact CG2-CB 4.49Å; I44-V56 PolarHBondContact O-N 2.91Å; K46-V56 HydrophobicContact CB-CG2 3.49Å; K46-V56 VanDerWaalsContact CB-CG2 3.49Å; K46-V56 HydrophobicContact CD-CG2 4Å; K46-V56 HydrophobicContact CG-CG2 4.39Å; V54-V56 HydrophobicContact CG2-CG2 4.45Å
57	C	98.4	Very high	96.5	Very high	55 Å²	55	55.3 Å²	55.3	37%	0.372	33%	0.333	S	S	.	.			trans	-110.9	154.4	169.3	-59.6	0	0	0	0	110.9	Y61 C62	C57-Y61 CarbonylContact C-O 3.41Å; C57-Y61 VanDerWaalsContact CA-O 3.23Å; C57-Y61 WeakPolarHBondContact CA-O 3.44Å; C57-Y61 WeakPolarHBondContact CB-O 3.41Å; C57-C62 HydrophobicContact CB-CB 3.56Å; C57-C62 WeakPolarHBondContact CB-SG 3.48Å; C57-C62 WeakPolarHBondContact SG-CA 3.46Å; C57-C62 WeakPolarHBondContact SG-CB 3.31Å; C57-C62 CovalentContact SG-SG 2.04Å; C57-C62 PolarHBondContact SG-SG 3.35Å
58	N	98.3	Very high	95.9	Very high	84 Å²	84	55.5 Å²	55.5	45%	0.449	33%	0.333	S	S	.	.			trans	-146.1	-166.1	173.9	68.3	24.9	0	0	0	109.8	T60 Y61 L142	N58-T60 PolarHBondContact O-N 3.45Å; N58-T60 PolarHBondContact OD1-N 2.75Å; N58-T60 PolarHBondContact OD1-OG1 2.67Å; N58-Y61 PolarHBondContact N-O 3.24Å; N58-Y61 PolarHBondContact OD1-N 2.98Å; N58-L142 WeakPolarHBondContact O-CD1 3.32Å
59	A	98	Very high	95.4	Very high	39 Å²	39	55.9 Å²	55.9	32%	0.322	34%	0.343	S	S	.	.	S	Bend	trans	-64.5	-20.8	-177.2	0	0	0	0	0	115.3	S136 P138 A139	A59-S136 WeakPolarHBondContact CB-OG 3.45Å; A59-P138 HydrophobicContact CB-CB 4.29Å; A59-P138 VanDerWaalsContact O-CB 3.23Å; A59-P138 WeakPolarHBondContact O-CB 3.46Å; A59-A139 HydrophobicContact CB-CB 4.3Å
60	T	97.7	Very high	95.4	Very high	116 Å²	116	62.3 Å²	62.3	71%	0.712	35%	0.351	S	S	*	.	S	Bend	trans	-118.6	-14.2	-175.3	58.6	0	0	0	0	113.3	R41 N58	R41-T60 PolarHBondContact NH1-O 3.4Å; N58-T60 PolarHBondContact O-N 3.45Å; N58-T60 PolarHBondContact OD1-N 2.75Å; N58-T60 PolarHBondContact OD1-OG1 2.67Å
61	Y	98.3	Very high	95.3	Very high	59 Å²	59	60.9 Å²	60.9	23%	0.231	35%	0.351	C	S	.	.			trans	-137.5	135.1	-175.2	-165.4	-80	0	0	0	112.2	P42 I44 C57 N58	P42-Y61 WeakPolarHBondContact CD-OH 3.27Å; P42-Y61 PolarHBondContact O-OH 2.93Å; I44-Y61 HydrophobicContact CD1-CE1 3.99Å; I44-Y61 HydrophobicContact CG1-CD1 3.84Å; I44-Y61 HydrophobicContact CG1-CE1 3.36Å; C57-Y61 CarbonylContact C-O 3.41Å; C57-Y61 VanDerWaalsContact CA-O 3.23Å; C57-Y61 WeakPolarHBondContact CA-O 3.44Å; C57-Y61 WeakPolarHBondContact CB-O 3.41Å; N58-Y61 PolarHBondContact N-O 3.24Å; N58-Y61 PolarHBondContact OD1-N 2.98Å
62	C	98.3	Very high	95.3	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.027	37%	0.365	C	S	.	.			trans	-155.7	144.8	163.3	-160.5	0	0	0	0	108.8	R41 C57 L142 S146	R41-C62 PolarHBondContact NE-O 2.99Å; R41-C62 PolarHBondContact NH2-O 3.45Å; C57-C62 HydrophobicContact CB-CB 3.56Å; C57-C62 WeakPolarHBondContact CB-SG 3.48Å; C57-C62 WeakPolarHBondContact SG-CA 3.46Å; C57-C62 WeakPolarHBondContact SG-CB 3.31Å; C57-C62 CovalentContact SG-SG 2.04Å; C57-C62 PolarHBondContact SG-SG 3.35Å; C62-L142 HydrophobicContact CB-CB 4Å; C62-L142 HydrophobicContact CB-CD1 4.26Å; C62-L142 HydrophobicContact CB-CD2 4.14Å; C62-L142 HydrophobicContact CB-CG 4.36Å; C62-S146 PolarHBondContact SG-OG 2.72Å
63	D	97.9	Very high	95.3	Very high	44 Å²	44	70.8 Å²	70.8	24%	0.235	41%	0.409	C	S	.	.			trans	-62.4	147.1	175.2	53.6	-64.7	0	0	0	111.5	R41 C55	R41-D63 WeakPolarHBondContact O-CA 3.42Å; R41-D63 VanDerWaalsContact O-CB 3.27Å; R41-D63 WeakPolarHBondContact O-CB 3.42Å; C55-D63 WeakPolarHBondContact CB-OD1 3.25Å
64	S	97.6	Very high	95.3	Very high	18 Å²	18	71 Å²	71	13%	0.126	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-155	157.7	-173.7	61.6	0	0	0	0	111.4	A40 R41 E151	A40-S64 VanDerWaalsContact CA-O 3.3Å; A40-S64 WeakPolarHBondContact CA-O 3.46Å; A40-S64 WeakPolarHBondContact CB-O 3.4Å; R41-S64 PolarHBondContact N-O 3.42Å; R41-S64 VanDerWaalsContact N-O 3.1Å; R41-S64 PolarHBondContact N-OG 3.48Å; R41-S64 PolarHBondContact O-N 2.87Å; S64-E151 WeakPolarHBondContact CA-O 3.29Å
65	F	94.6	Very high	95.3	Very high	48 Å²	48	71.4 Å²	71.4	21%	0.211	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-95.2	152.7	175	-57.5	-68.9	0	0	0	111.6	M88 E151 G152 I153	F65-M88 HydrophobicContact CE1-CB 3.45Å; F65-M88 VanDerWaalsContact CE1-CB 3.45Å; F65-M88 HydrophobicContact CE1-CE 3.94Å; F65-M88 HydrophobicContact CE1-CG 4.38Å; F65-M88 HydrophobicContact CE1-SD 4.19Å; F65-M88 HydrophobicContact CE2-CE 3.97Å; F65-M88 HydrophobicContact CE2-SD 4.15Å; F65-M88 HydrophobicContact CZ-CB 3.65Å; F65-M88 HydrophobicContact CZ-CE 3.49Å; F65-M88 VanDerWaalsContact CZ-CE 3.49Å; F65-M88 HydrophobicContact CZ-CG 4.12Å; F65-M88 HydrophobicContact CZ-SD 3.44Å; F65-M88 WeakPolarHBondContact CZ-SD 3.35Å; F65-E151 WeakPolarHBondContact CD2-O 3.33Å; F65-E151 PolarHBondContact N-O 3.15Å; F65-G152 VanDerWaalsContact CD2-O 3.32Å; F65-G152 WeakPolarHBondContact CD2-O 3.39Å; F65-I153 HydrophobicContact CE2-CG2 4.34Å
66	D	89.8	Confident	95.2	Very high	91 Å²	91	74.1 Å²	74.1	49%	0.487	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-69.6	149.4	153.7	-66.6	-43.9	0	0	0	108.5	G39 A40	G39-D66 WeakPolarHBondContact CA-OD1 3.28Å; A40-D66 HydrophobicContact CB-CB 4.5Å; A40-D66 WeakPolarHBondContact CB-OD2 3.28Å; A40-D66 PolarHBondContact N-OD1 3.42Å
67	P	82.7	Confident	95.2	Very high	82 Å²	82	73.4 Å²	73.4	53%	0.532	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-50.2	138.2	177	-28.1	35	0	0	0	111.8	T69	P67-T69 PolarHBondContact O-N 3.49Å
68	P	83.9	Confident	95.1	Very high	77 Å²	77	75.3 Å²	75.3	50%	0.5	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-55.8	128.2	-179.3	-24.9	32.7	0	0	0	111.7
69	T	88.6	Confident	95.1	Very high	102 Å²	102	76.3 Å²	76.3	63%	0.626	42%	0.423	S	S	*	.			trans	-118.2	140	175.8	50.8	0	0	0	0	110.4	P67	P67-T69 PolarHBondContact O-N 3.49Å
70	F	94.4	Very high	95.1	Very high	205 Å²	205	76.9 Å²	76.9	90%	0.899	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-77.9	130.7	174.6	-69.3	-70.8	0	0	0	109.9
71	P	94.9	Very high	95.1	Very high	44 Å²	44	74 Å²	74	29%	0.286	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-67.4	156.1	175.9	30.4	-35	0	0	0	110.5	T75	P71-T75 HydrophobicContact CB-CG2 4.13Å
72	A	96.7	Very high	95.1	Very high	75 Å²	75	72.4 Å²	72.4	62%	0.62	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-58.7	150.2	173.5	0	0	0	0	0	111.4	G74 T75	A72-G74 PolarHBondContact O-N 2.72Å; A72-T75 VanDerWaalsContact O-CB 3.3Å; A72-T75 WeakPolarHBondContact O-CB 3.34Å; A72-T75 PolarHBondContact O-N 3.04Å
73	L	97.7	Very high	95.1	Very high	186 Å²	186	79.7 Å²	79.7	97%	0.974	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	132.9	178.2	-177.1	65.4	0	0	0	110.8
74	G	97.4	Very high	95.1	Very high	34 Å²	34	82.8 Å²	82.8	35%	0.351	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	4	-174.7	0	0	0	0	0	114.5	A72 I95	A72-G74 PolarHBondContact O-N 2.72Å; G74-I95 WeakPolarHBondContact O-CB 3.4Å; G74-I95 PolarHBondContact O-N 3.43Å
75	T	98.3	Very high	95.1	Very high	46 Å²	46	83.2 Å²	83.2	28%	0.282	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.9	175	-53.6	0	0	0	0	110.1	P71 A72 M92 G93	P71-T75 HydrophobicContact CB-CG2 4.13Å; A72-T75 VanDerWaalsContact O-CB 3.3Å; A72-T75 WeakPolarHBondContact O-CB 3.34Å; A72-T75 PolarHBondContact O-N 3.04Å; T75-M92 HydrophobicContact CG2-CB 3.98Å; T75-M92 HydrophobicContact CG2-CG 4.43Å; T75-M92 HydrophobicContact CG2-SD 4.48Å; T75-G93 CarbonylContact C-O 3.6Å; T75-G93 WeakPolarHBondContact CA-O 3.1Å; T75-G93 VanDerWaalsContact CG2-O 3.28Å; T75-G93 WeakPolarHBondContact CG2-O 3.3Å
76	F	97.5	Very high	95.2	Very high	92 Å²	92	86 Å²	86	40%	0.404	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151.1	170	69.6	-94	0	0	0	111.1	R78 M92 G93 I95	F76-R78 HydrophobicContact CD2-CB 4.3Å; F76-R78 HydrophobicContact CE2-CB 4.07Å; F76-M92 VanDerWaalsContact O-CA 3.24Å; F76-M92 WeakPolarHBondContact O-CA 3.3Å; F76-G93 WeakPolarHBondContact CD1-O 3.41Å; F76-G93 WeakPolarHBondContact CE1-O 3.44Å; F76-G93 PolarHBondContact N-O 3.25Å; F76-G93 PolarHBondContact O-N 3.13Å; F76-I95 HydrophobicContact CB-CG1 4.4Å; F76-I95 HydrophobicContact CD1-CG1 4.2Å
77	S	97.5	Very high	95.6	Very high	40 Å²	40	84.3 Å²	84.3	28%	0.28	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	141.6	168.7	-61.6	0	0	0	0	109.8
78	R	97.7	Very high	96.3	Very high	96 Å²	96	84 Å²	84	36%	0.362	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.7	177.8	177.4	-169.6	68.3	95.8	8.9	109.2	F76 E80 L90 S91	F76-R78 HydrophobicContact CD2-CB 4.3Å; F76-R78 HydrophobicContact CE2-CB 4.07Å; R78-E80 IonicContact CZ-OE2 2.9Å; R78-E80 VanDerWaalsContact NH1-CB 3.29Å; R78-E80 IonicContact NH1-OE1 3.96Å; R78-E80 PolarHBondContact NH1-OE1 3.34Å; R78-E80 VanDerWaalsContact NH1-OE1 3.15Å; R78-E80 IonicContact NH1-OE2 3.54Å; R78-E80 PolarHBondContact NH1-OE2 2.98Å; R78-E80 IonicContact NH2-OE2 2.76Å; R78-L90 CarbonylContact O-C 3.58Å; R78-L90 WeakPolarHBondContact O-CA 3.39Å; R78-S91 PolarHBondContact N-O 3.26Å; R78-S91 PolarHBondContact NE-OG 3.15Å; R78-S91 PolarHBondContact NH2-OG 3.3Å; R78-S91 PolarHBondContact O-N 3.42Å; R78-S91 PolarHBondContact O-OG 3.46Å
79	Y	97.2	Very high	97	Very high	104 Å²	104	84.7 Å²	84.7	41%	0.408	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.6	170.2	-68.7	-94	0	0	0	109.1	M88 E89 L90	Y79-M88 HydrophobicContact CD1-CB 4.36Å; Y79-M88 WeakPolarHBondContact CD1-O 3.36Å; Y79-E89 WeakPolarHBondContact CA-O 3.42Å; Y79-L90 HydrophobicContact CD1-CB 4.3Å; Y79-L90 HydrophobicContact CD2-CD1 4.34Å; Y79-L90 HydrophobicContact CE1-CB 3.99Å; Y79-L90 HydrophobicContact CE1-CD1 4.1Å; Y79-L90 HydrophobicContact CE1-CG 4.47Å; Y79-L90 HydrophobicContact CE2-CD1 3.86Å
80	E	98.3	Very high	97.3	Very high	52 Å²	52	84 Å²	84	24%	0.243	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130	-176.5	179.7	175.7	-122	0	0	112.7	R78 T82 R86 M88 E89	R78-E80 IonicContact CZ-OE2 2.9Å; R78-E80 VanDerWaalsContact NH1-CB 3.29Å; R78-E80 IonicContact NH1-OE1 3.96Å; R78-E80 PolarHBondContact NH1-OE1 3.34Å; R78-E80 VanDerWaalsContact NH1-OE1 3.15Å; R78-E80 IonicContact NH1-OE2 3.54Å; R78-E80 PolarHBondContact NH1-OE2 2.98Å; R78-E80 IonicContact NH2-OE2 2.76Å; E80-T82 HydrophobicContact CG-CG2 3.85Å; E80-R86 IonicContact OE1-NH1 3.86Å; E80-R86 VanDerWaalsContact OE2-CD 3.3Å; E80-R86 WeakPolarHBondContact OE2-CD 3.13Å; E80-R86 IonicContact OE2-CZ 3.73Å; E80-R86 IonicContact OE2-NE 3.15Å; E80-R86 IonicContact OE2-NH1 2.93Å; E80-R86 PolarHBondContact OE2-NH1 2.86Å; E80-M88 WeakPolarHBondContact O-CA 3.24Å; E80-M88 PolarHBondContact O-N 3.04Å; E80-M88 VanDerWaalsContact O-N 3.08Å; E80-E89 PolarHBondContact N-O 3.09Å; E80-E89 PolarHBondContact O-N 3.12Å
81	S	98.4	Very high	97.4	Very high	54 Å²	54	75.8 Å²	75.8	38%	0.378	40%	0.404	S	S	.	.			trans	-119.4	136.6	167.3	-64.7	0	0	0	0	109.2	R86 M88	S81-R86 VanDerWaalsContact CA-O 3.24Å; S81-R86 WeakPolarHBondContact CA-O 3.4Å; S81-M88 PolarHBondContact OG-N 3.41Å
82	T	98.4	Very high	97.5	Very high	27 Å²	27	80 Å²	80	17%	0.166	42%	0.421	C	S	.	.			trans	-130	154.5	-179.7	65.7	0	0	0	0	112.1	E80 S84 G85 R86 R87 W396	E80-T82 HydrophobicContact CG-CG2 3.85Å; T82-S84 PolarHBondContact O-N 2.95Å; T82-S84 PolarHBondContact OG1-OG 3.32Å; T82-G85 PolarHBondContact O-N 3.42Å; T82-G85 PolarHBondContact OG1-N 2.8Å; T82-R86 HydrophobicContact CG2-CB 4.11Å; T82-R86 HydrophobicContact CG2-CG 4.22Å; T82-R86 PolarHBondContact N-O 3.19Å; T82-R86 WeakPolarHBondContact OG1-CB 3.23Å; T82-R86 PolarHBondContact OG1-N 3.36Å; T82-R86 VanDerWaalsContact OG1-N 3.13Å; T82-R87 PolarHBondContact O-NH1 2.68Å; T82-W396 VanDerWaalsContact O-CZ3 3.29Å; T82-W396 WeakPolarHBondContact O-CZ3 3.24Å
83	R	98.2	Very high	97.5	Very high	157 Å²	157	77 Å²	77	59%	0.592	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.1	169.4	-172.5	175.5	71.4	173.3	2.2	112	S51 S52 G85 W396	S51-R83 WeakPolarHBondContact O-CG 3.14Å; S52-R83 WeakPolarHBondContact CB-O 3.4Å; S52-R83 PolarHBondContact OG-O 3.22Å; R83-G85 VanDerWaalsContact C-N 3.29Å; R83-G85 PolarHBondContact O-N 3.48Å; R83-W396 HydrophobicContact CB-CB 4.47Å; R83-W396 HydrophobicContact CB-CD2 3.8Å; R83-W396 HydrophobicContact CB-CE3 4.4Å; R83-W396 HydrophobicContact CB-CG 3.79Å; R83-W396 HydrophobicContact CG-CB 3.96Å; R83-W396 HydrophobicContact CG-CD2 4.26Å; R83-W396 HydrophobicContact CG-CG 3.81Å
84	S	97.8	Very high	97.6	Very high	109 Å²	109	72.3 Å²	72.3	76%	0.762	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.4	179.5	56.3	0	0	0	0	114.8	T82	T82-S84 PolarHBondContact O-N 2.95Å; T82-S84 PolarHBondContact OG1-OG 3.32Å
85	G	96.7	Very high	97.6	Very high	26 Å²	26	75.7 Å²	75.7	27%	0.268	39%	0.387	S	S	.	.	S	Bend	trans	134.6	-4.9	171.6	0	0	0	0	0	116.6	T82 R83	T82-G85 PolarHBondContact O-N 3.42Å; T82-G85 PolarHBondContact OG1-N 2.8Å; R83-G85 VanDerWaalsContact C-N 3.29Å; R83-G85 PolarHBondContact O-N 3.48Å
86	R	98.2	Very high	97.6	Very high	108 Å²	108	80.2 Å²	80.2	41%	0.408	41%	0.405	S	S	.	.			trans	-62.2	140.9	172	-62.4	-169.5	165.8	144	7.4	109.8	E80 S81 T82 E89	E80-R86 IonicContact OE1-NH1 3.86Å; E80-R86 VanDerWaalsContact OE2-CD 3.3Å; E80-R86 WeakPolarHBondContact OE2-CD 3.13Å; E80-R86 IonicContact OE2-CZ 3.73Å; E80-R86 IonicContact OE2-NE 3.15Å; E80-R86 IonicContact OE2-NH1 2.93Å; E80-R86 PolarHBondContact OE2-NH1 2.86Å; S81-R86 VanDerWaalsContact CA-O 3.24Å; S81-R86 WeakPolarHBondContact CA-O 3.4Å; T82-R86 HydrophobicContact CG2-CB 4.11Å; T82-R86 HydrophobicContact CG2-CG 4.22Å; T82-R86 PolarHBondContact N-O 3.19Å; T82-R86 WeakPolarHBondContact OG1-CB 3.23Å; T82-R86 PolarHBondContact OG1-N 3.36Å; T82-R86 VanDerWaalsContact OG1-N 3.13Å; R86-E89 HydrophobicContact CB-CG 4.23Å; R86-E89 WeakPolarHBondContact CD-OE2 3.2Å; R86-E89 WeakPolarHBondContact CG-OE1 3.48Å; R86-E89 WeakPolarHBondContact CG-OE2 3.41Å; R86-E89 IonicContact NE-OE2 3.73Å; R86-E89 PolarHBondContact NE-OE2 3.39Å; R86-E89 VanDerWaalsContact NE-OE2 3.16Å
87	R	98.1	Very high	97.5	Very high	55 Å²	55	80.6 Å²	80.6	21%	0.208	43%	0.425	C	S	.	.			trans	-135.6	99.4	-178.4	-66.2	-69.9	178.3	-89.6	5.8	109.5	C43 S52 V53 T82 E89	C43-R87 HydrophobicContact CB-CB 4.1Å; C43-R87 HydrophobicContact CB-CG 3.91Å; S52-R87 PolarHBondContact OG-NH2 3.42Å; V53-R87 PolarHBondContact O-NH2 3.22Å; T82-R87 PolarHBondContact O-NH1 2.68Å; R87-E89 PolarHBondContact O-N 3.43Å; R87-E89 VanDerWaalsContact O-N 3.11Å
88	M	97.4	Very high	97.5	Very high	75 Å²	75	85.6 Å²	85.6	37%	0.369	45%	0.449	S	S	.	.	S	Bend	trans	45.2	44.1	-178.6	-69.7	179	64.3	0	0	112.2	F65 Y79 E80 S81 L90	F65-M88 HydrophobicContact CE1-CB 3.45Å; F65-M88 VanDerWaalsContact CE1-CB 3.45Å; F65-M88 HydrophobicContact CE1-CE 3.94Å; F65-M88 HydrophobicContact CE1-CG 4.38Å; F65-M88 HydrophobicContact CE1-SD 4.19Å; F65-M88 HydrophobicContact CE2-CE 3.97Å; F65-M88 HydrophobicContact CE2-SD 4.15Å; F65-M88 HydrophobicContact CZ-CB 3.65Å; F65-M88 HydrophobicContact CZ-CE 3.49Å; F65-M88 VanDerWaalsContact CZ-CE 3.49Å; F65-M88 HydrophobicContact CZ-CG 4.12Å; F65-M88 HydrophobicContact CZ-SD 3.44Å; F65-M88 WeakPolarHBondContact CZ-SD 3.35Å; Y79-M88 HydrophobicContact CD1-CB 4.36Å; Y79-M88 WeakPolarHBondContact CD1-O 3.36Å; E80-M88 WeakPolarHBondContact O-CA 3.24Å; E80-M88 PolarHBondContact O-N 3.04Å; E80-M88 VanDerWaalsContact O-N 3.08Å; S81-M88 PolarHBondContact OG-N 3.41Å; M88-L90 PolarHBondContact O-N 2.85Å
89	E	96.6	Very high	97.4	Very high	91 Å²	91	87.2 Å²	87.2	43%	0.425	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122	178	-76.2	179.6	-164.7	0	0	109.6	Y79 E80 R86 R87	Y79-E89 WeakPolarHBondContact CA-O 3.42Å; E80-E89 PolarHBondContact N-O 3.09Å; E80-E89 PolarHBondContact O-N 3.12Å; R86-E89 HydrophobicContact CB-CG 4.23Å; R86-E89 WeakPolarHBondContact CD-OE2 3.2Å; R86-E89 WeakPolarHBondContact CG-OE1 3.48Å; R86-E89 WeakPolarHBondContact CG-OE2 3.41Å; R86-E89 IonicContact NE-OE2 3.73Å; R86-E89 PolarHBondContact NE-OE2 3.39Å; R86-E89 VanDerWaalsContact NE-OE2 3.16Å; R87-E89 PolarHBondContact O-N 3.43Å; R87-E89 VanDerWaalsContact O-N 3.11Å
90	L	96.3	Very high	97.3	Very high	88 Å²	88	88.7 Å²	88.7	46%	0.461	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	136.3	177.7	175.9	61.7	0	0	0	110.9	R78 Y79 M88	R78-L90 CarbonylContact O-C 3.58Å; R78-L90 WeakPolarHBondContact O-CA 3.39Å; Y79-L90 HydrophobicContact CD1-CB 4.3Å; Y79-L90 HydrophobicContact CD2-CD1 4.34Å; Y79-L90 HydrophobicContact CE1-CB 3.99Å; Y79-L90 HydrophobicContact CE1-CD1 4.1Å; Y79-L90 HydrophobicContact CE1-CG 4.47Å; Y79-L90 HydrophobicContact CE2-CD1 3.86Å; M88-L90 PolarHBondContact O-N 2.85Å
91	S	96.3	Very high	97.1	Very high	33 Å²	33	89.1 Å²	89.1	23%	0.231	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	165.2	166.8	60	0	0	0	0	109.9	R78	R78-S91 PolarHBondContact N-O 3.26Å; R78-S91 PolarHBondContact NE-OG 3.15Å; R78-S91 PolarHBondContact NH2-OG 3.3Å; R78-S91 PolarHBondContact O-N 3.42Å; R78-S91 PolarHBondContact O-OG 3.46Å
92	M	97.7	Very high	97	Very high	131 Å²	131	93.8 Å²	93.8	65%	0.645	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.5	178.6	-70.2	179.8	-82.6	0	0	111.1	T75 F76	T75-M92 HydrophobicContact CG2-CB 3.98Å; T75-M92 HydrophobicContact CG2-CG 4.43Å; T75-M92 HydrophobicContact CG2-SD 4.48Å; F76-M92 VanDerWaalsContact O-CA 3.24Å; F76-M92 WeakPolarHBondContact O-CA 3.3Å
93	G	96.9	Very high	97	Very high	12 Å²	12	95.2 Å²	95.2	12%	0.124	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.5	174.1	0	0	0	0	0	112.8	T75 F76	T75-G93 CarbonylContact C-O 3.6Å; T75-G93 WeakPolarHBondContact CA-O 3.1Å; T75-G93 VanDerWaalsContact CG2-O 3.28Å; T75-G93 WeakPolarHBondContact CG2-O 3.3Å; F76-G93 WeakPolarHBondContact CD1-O 3.41Å; F76-G93 WeakPolarHBondContact CE1-O 3.44Å; F76-G93 PolarHBondContact N-O 3.25Å; F76-G93 PolarHBondContact O-N 3.13Å
94	P	98.1	Very high	96.9	Very high	88 Å²	88	95.3 Å²	95.3	57%	0.571	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.2	145.6	-178.8	32.1	-34.9	0	0	0	112.1
95	I	98.3	Very high	96.9	Very high	105 Å²	105	95.4 Å²	95.4	54%	0.538	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-88.7	123.5	168.3	-59.5	173.9	0	0	0	108	G74 F76	G74-I95 WeakPolarHBondContact O-CB 3.4Å; G74-I95 PolarHBondContact O-N 3.43Å; F76-I95 HydrophobicContact CB-CG1 4.4Å; F76-I95 HydrophobicContact CD1-CG1 4.2Å
96	Q	97.6	Very high	97	Very high	142 Å²	142	101.3 Å²	101.3	66%	0.664	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-91.2	145	-178.6	-61.1	-63.4	-15.9	0	0	111.4
97	A	97	Very high	97	Very high	99 Å²	99	101.1 Å²	101.1	82%	0.818	58%	0.584	S	S	*	*	S	Bend	trans	-75.8	-29.2	175.4	0	0	0	0	0	112.9
98	N	96	Very high	97	Very high	146 Å²	146	105.9 Å²	105.9	78%	0.781	61%	0.612	S	S	*	*			trans	-124.7	147.5	-176.2	-63.4	-55	0	0	0	110.5
99	H	95.9	Very high	97	Very high	130 Å²	130	107.5 Å²	107.5	60%	0.602	62%	0.617	S	S	*	*			trans	-135.1	135.2	173.8	177.6	65.9	0	0	0	110.1
100	T	95.3	Very high	97.1	Very high	134 Å²	134	106.9 Å²	106.9	82%	0.822	62%	0.621	S	S	*	*			trans	-131.3	135	174.3	55.5	0	0	0	0	109.2
101	G	95.1	Very high	97.2	Very high	62 Å²	62	108.8 Å²	108.8	64%	0.639	63%	0.627	S	S	*	*	S	Bend	trans	148.6	173.6	176	0	0	0	0	0	112.5
102	T	95.8	Very high	97.3	Very high	151 Å²	151	111.9 Å²	111.9	93%	0.926	64%	0.639	S	S	*	*	S	Bend	trans	-114.5	14.7	179.4	58.5	0	0	0	0	112.4
103	G	97.3	Very high	97.3	Very high	57 Å²	57	113.6 Å²	113.6	59%	0.588	64%	0.642	S	S	*	*	S	Bend	trans	-74.7	177.1	178.8	0	0	0	0	0	113.2	L105	G103-L105 PolarHBondContact O-N 3.33Å
104	L	97.6	Very high	97.3	Very high	160 Å²	160	119.7 Å²	119.7	84%	0.838	67%	0.666	S	S	*	*			trans	-61.2	123.4	175.1	177.1	64.4	0	0	0	110.4	L106	L104-L106 HydrophobicContact CD1-CD2 4.06Å; L104-L106 HydrophobicContact CD2-CD2 4.43Å; L104-L106 HydrophobicContact CG-CD2 4.26Å; L104-L106 HydrophobicContact CG-CG 4.49Å
105	L	97.6	Very high	97.4	Very high	111 Å²	111	118 Å²	118	58%	0.581	65%	0.65	S	S	*	*			trans	-117.9	121.8	174.5	-178.4	64	0	0	0	109.6	G103	G103-L105 PolarHBondContact O-N 3.33Å
106	L	97.8	Very high	97.4	Very high	149 Å²	149	122.1 Å²	122.1	78%	0.78	66%	0.664	S	S	*	*			trans	-101.7	111	172.1	-57.3	-178.1	0	0	0	108.7	L104	L104-L106 HydrophobicContact CD1-CD2 4.06Å; L104-L106 HydrophobicContact CD2-CD2 4.43Å; L104-L106 HydrophobicContact CG-CD2 4.26Å; L104-L106 HydrophobicContact CG-CG 4.49Å
107	T	97.9	Very high	97.4	Very high	105 Å²	105	119.3 Å²	119.3	64%	0.644	66%	0.656	S	S	*	*			trans	-98.4	116.2	-178.3	-52.7	0	0	0	0	110.8
108	L	98.2	Very high	97.5	Very high	154 Å²	154	117.4 Å²	117.4	81%	0.806	63%	0.63	S	S	*	*			trans	-72	132.4	173.1	-172.5	64.8	0	0	0	110.2	P110	L108-P110 VanDerWaalsContact O-CD 3.29Å; L108-P110 WeakPolarHBondContact O-CD 3.18Å
109	K	98.3	Very high	97.6	Very high	110 Å²	110	110.7 Å²	110.7	48%	0.478	60%	0.595	S	S	.	*			trans	-110	83.1	174.1	-69.6	-171.1	-178.9	-179.4	0	109.9	E111 Q112	K109-E111 VanDerWaalsContact C-OE2 3.28Å; K109-E111 WeakPolarHBondContact CB-OE1 3.43Å; K109-E111 PolarHBondContact O-N 2.97Å; K109-E111 VanDerWaalsContact O-N 3.15Å; K109-Q112 HydrophobicContact CB-CB 4.19Å; K109-Q112 HydrophobicContact CB-CG 3.95Å; K109-Q112 HydrophobicContact CD-CG 4.3Å; K109-Q112 PolarHBondContact O-N 3.47Å
110	P	97.9	Very high	97.8	Very high	78 Å²	78	107.9 Å²	107.9	51%	0.506	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.5	-20.5	-171.7	26.9	-36	0	0	0	113.7	L108 K113	L108-P110 VanDerWaalsContact O-CD 3.29Å; L108-P110 WeakPolarHBondContact O-CD 3.18Å; P110-K113 WeakPolarHBondContact O-CD 3.2Å; P110-K113 WeakPolarHBondContact O-CE 3.28Å; P110-K113 PolarHBondContact O-NZ 3.36Å
111	E	98.3	Very high	97.9	Very high	127 Å²	127	101.5 Å²	101.5	59%	0.593	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.1	175.1	72	-70.4	168.5	0	0	113.5	K109 K113	K109-E111 VanDerWaalsContact C-OE2 3.28Å; K109-E111 WeakPolarHBondContact CB-OE1 3.43Å; K109-E111 PolarHBondContact O-N 2.97Å; K109-E111 VanDerWaalsContact O-N 3.15Å; E111-K113 PolarHBondContact O-N 3.44Å
112	Q	98.2	Very high	98.1	Very high	99 Å²	99	98.8 Å²	98.8	46%	0.463	51%	0.514	S	S	.	.			trans	-84.4	95	175	-62.7	-169.2	0.6	0	0	109.5	K109 F114	K109-Q112 HydrophobicContact CB-CB 4.19Å; K109-Q112 HydrophobicContact CB-CG 3.95Å; K109-Q112 HydrophobicContact CD-CG 4.3Å; K109-Q112 PolarHBondContact O-N 3.47Å; Q112-F114 HydrophobicContact CB-CE2 4.15Å; Q112-F114 HydrophobicContact CB-CZ 4.38Å
113	K	98.1	Very high	98.2	Very high	167 Å²	167	91.7 Å²	91.7	73%	0.726	47%	0.47	S	S	*	.			trans	-92.7	143	178.5	-56.5	-55.1	-167.8	-169.8	0	111	P110 E111	P110-K113 WeakPolarHBondContact O-CD 3.2Å; P110-K113 WeakPolarHBondContact O-CE 3.28Å; P110-K113 PolarHBondContact O-NZ 3.36Å; E111-K113 PolarHBondContact O-N 3.44Å
114	F	98	Very high	98.3	Very high	140 Å²	140	89.2 Å²	89.2	61%	0.614	44%	0.444	S	S	*	.			trans	-125.6	-144	176.7	-58.5	-83	0	0	0	109.8	Q112	Q112-F114 HydrophobicContact CB-CE2 4.15Å; Q112-F114 HydrophobicContact CB-CZ 4.38Å
115	Q	98.3	Very high	98.3	Very high	53 Å²	53	81.6 Å²	81.6	25%	0.248	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-66.7	154	-178.2	78.6	-77.8	15.4	0	0	112.9	L410 V414 V415	Q115-L410 PolarHBondContact NE2-O 2.66Å; Q115-V414 PolarHBondContact NE2-O 2.92Å; Q115-V415 HydrophobicContact CB-CG1 4.04Å; Q115-V415 HydrophobicContact CG-CG1 4.07Å
116	K	98.5	Very high	98.3	Very high	191 Å²	191	76.4 Å²	76.4	83%	0.83	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-87	139.8	165.6	-65.8	-175.7	179.8	178.6	0	109.2	V415	K116-V415 WeakPolarHBondContact O-CB 3.23Å
117	V	98.8	Very high	98.4	Very high	82 Å²	82	70 Å²	70	50%	0.497	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-83.1	126.6	179.5	178	0	0	0	0	109.9	F120 L410 V415	V117-F120 HydrophobicContact CG1-CE2 3.88Å; V117-F120 HydrophobicContact CG1-CZ 4.32Å; V117-L410 HydrophobicContact CG2-CD2 4.27Å; V117-V415 CarbonylContact C-O 3.53Å; V117-V415 VanDerWaalsContact CA-O 3.27Å; V117-V415 WeakPolarHBondContact CA-O 3.48Å; V117-V415 WeakPolarHBondContact CG1-O 3.23Å
118	K	98.7	Very high	98.4	Very high	60 Å²	60	65 Å²	65	26%	0.261	32%	0.315	S	S	.	.			trans	-76.7	-46.3	171.8	174.5	63.6	-167.1	-173	0	111.5	N156 I157 S212 W267 F376 V415	K118-N156 PolarHBondContact O-ND2 3.39Å; K118-I157 HydrophobicContact CG-CD1 4.13Å; K118-S212 WeakPolarHBondContact CE-OG 3.34Å; K118-S212 PolarHBondContact NZ-OG 2.89Å; K118-W267 HydrophobicContact CD-CD2 4.37Å; K118-W267 HydrophobicContact CD-CH2 4.2Å; K118-W267 HydrophobicContact CD-CZ2 3.77Å; K118-W267 VanDerWaalsContact CE-CD2 3.41Å; K118-W267 HydrophobicContact CG-CH2 3.76Å; K118-W267 HydrophobicContact CG-CZ2 3.8Å; K118-W267 HydrophobicContact CG-CZ3 4.26Å; K118-W267 VanDerWaalsContact NZ-CD1 3.32Å; K118-F376 HydrophobicContact CG-CE2 4.3Å; K118-V415 HydrophobicContact CB-CB 4.43Å; K118-V415 HydrophobicContact CB-CG2 3.97Å; K118-V415 PolarHBondContact N-O 2.89Å
119	G	98.6	Very high	98.4	Very high	4 Å²	4	57.7 Å²	57.7	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-174	-178.3	0	0	0	0	0	116.6	N156 G416 W417	G119-N156 WeakPolarHBondContact CA-OD1 3.3Å; G119-G416 WeakPolarHBondContact O-CA 3.22Å; G119-W417 PolarHBondContact O-N 3.12Å; G119-W417 VanDerWaalsContact O-N 3.16Å
120	F	98.8	Very high	98.4	Very high	71 Å²	71	55.3 Å²	55.3	31%	0.311	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.3	179	-59.6	-86.6	0	0	0	109.9	V117 N156 I157 I406 W417	V117-F120 HydrophobicContact CG1-CE2 3.88Å; V117-F120 HydrophobicContact CG1-CZ 4.32Å; F120-N156 PolarHBondContact N-OD1 3.03Å; F120-N156 PolarHBondContact O-N 3Å; F120-N156 PolarHBondContact O-OD1 3.04Å; F120-I157 PolarHBondContact O-N 3.37Å; F120-I406 HydrophobicContact CE1-CG2 3.85Å; F120-I406 HydrophobicContact CZ-CG2 4.47Å; F120-W417 VanDerWaalsContact CA-O 3.31Å; F120-W417 WeakPolarHBondContact CA-O 3.47Å; F120-W417 HydrophobicContact CD1-CB 3.91Å; F120-W417 HydrophobicContact CE1-CB 3.98Å
121	G	98.5	Very high	98.4	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	-165.2	-173.6	0	0	0	0	0	114.9	I157 W417 D419	G121-I157 WeakPolarHBondContact CA-O 3.32Å; G121-W417 PolarHBondContact N-O 3.13Å; G121-D419 WeakPolarHBondContact O-CB 3.39Å; G121-D419 PolarHBondContact O-N 2.82Å
122	G	98.2	Very high	98.4	Very high	5 Å²	5	48.3 Å²	48.3	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	179	172.9	0	0	0	0	0	111.5	I157 I158 R159 D419	G122-I157 PolarHBondContact N-O 3.08Å; G122-I158 CarbonylContact O-C 3.52Å; G122-I158 VanDerWaalsContact O-CA 3.31Å; G122-I158 WeakPolarHBondContact O-CA 3.43Å; G122-R159 PolarHBondContact O-N 2.86Å; G122-D419 WeakPolarHBondContact CA-O 3.43Å
123	A	98.5	Very high	98.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134	178.2	0	0	0	0	0	112.8	T125 R159 D419 W420 P422	A123-T125 HydrophobicContact CB-CG2 4.05Å; A123-T125 PolarHBondContact O-N 2.94Å; A123-R159 CarbonylContact C-O 3.56Å; A123-R159 WeakPolarHBondContact CA-O 3.45Å; A123-R159 HydrophobicContact CB-CB 4.05Å; A123-D419 PolarHBondContact N-O 3.49Å; A123-W420 WeakPolarHBondContact CA-O 3.25Å; A123-W420 HydrophobicContact CB-CD2 4.4Å; A123-W420 HydrophobicContact CB-CE3 3.5Å; A123-W420 HydrophobicContact CB-CH2 4.29Å; A123-W420 HydrophobicContact CB-CZ3 3.39Å; A123-W420 VanDerWaalsContact CB-O 3.24Å; A123-W420 WeakPolarHBondContact CB-O 3.18Å; A123-W420 PolarHBondContact N-O 2.89Å; A123-P422 WeakPolarHBondContact O-CD 3.4Å
124	M	98.7	Very high	98.5	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.025	22%	0.222	C	C	.	.			trans	-91.7	80.7	167.6	-172.2	65.6	63.9	0	0	108.1	A129 I132 I158 R159 P161 E196 L199 I200	M124-A129 HydrophobicContact SD-CB 4.19Å; M124-I132 HydrophobicContact SD-CD1 4.47Å; M124-I158 HydrophobicContact CB-CG2 3.69Å; M124-R159 PolarHBondContact N-O 2.69Å; M124-P161 VanDerWaalsContact O-CD 3.23Å; M124-P161 WeakPolarHBondContact O-CD 3.48Å; M124-E196 HydrophobicContact CG-CB 4.22Å; M124-E196 HydrophobicContact CG-CG 4.27Å; M124-L199 HydrophobicContact CE-CB 3.97Å; M124-L199 HydrophobicContact SD-CB 4.05Å; M124-L199 HydrophobicContact SD-CD1 3.86Å; M124-I200 HydrophobicContact CB-CG1 4.44Å; M124-I200 HydrophobicContact CG-CG1 4.2Å
125	T	98.6	Very high	98.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.			trans	-84.7	167.2	173.1	65.4	0	0	0	0	111.1	A123 A127 A128 A129 P161 F167 W420 N421	A123-T125 HydrophobicContact CB-CG2 4.05Å; A123-T125 PolarHBondContact O-N 2.94Å; T125-A127 VanDerWaalsContact C-N 3.3Å; T125-A127 PolarHBondContact O-N 2.98Å; T125-A128 PolarHBondContact O-N 2.91Å; T125-A128 VanDerWaalsContact O-N 3.11Å; T125-A128 PolarHBondContact OG1-N 2.82Å; T125-A128 VanDerWaalsContact OG1-N 3.14Å; T125-A129 WeakPolarHBondContact O-CB 3.4Å; T125-A129 PolarHBondContact O-N 3.44Å; T125-P161 HydrophobicContact CG2-CG 3.92Å; T125-F167 HydrophobicContact CG2-CB 4.26Å; T125-W420 HydrophobicContact CG2-CH2 3.64Å; T125-W420 HydrophobicContact CG2-CZ2 3.89Å; T125-W420 HydrophobicContact CG2-CZ3 4.17Å; T125-N421 WeakPolarHBondContact CB-OD1 3.27Å; T125-N421 WeakPolarHBondContact CG2-OD1 3.34Å; T125-N421 PolarHBondContact OG1-OD1 3.4Å
126	D	98.4	Very high	98.5	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.011	22%	0.218	C	C	.	.	H	α-helix	trans	-48.4	-49.6	169.1	-68.6	-9.7	0	0	0	112.2	A128 A129 L130 S168 Y172	D126-A128 PolarHBondContact O-N 3.12Å; D126-A129 PolarHBondContact O-N 2.83Å; D126-L130 VanDerWaalsContact O-CB 3.31Å; D126-L130 WeakPolarHBondContact O-CB 3.35Å; D126-L130 WeakPolarHBondContact O-CG 3.49Å; D126-L130 PolarHBondContact O-N 3.48Å; D126-S168 WeakPolarHBondContact OD2-CB 3.49Å; D126-S168 PolarHBondContact OD2-OG 3.41Å; D126-Y172 PolarHBondContact OD1-OH 2.82Å; D126-Y172 WeakPolarHBondContact OD2-CE1 3.1Å; D126-Y172 PolarHBondContact OD2-OH 2.85Å; D126-Y172 VanDerWaalsContact OD2-OH 3.08Å
127	A	98.2	Very high	98.5	Very high	16 Å²	16	34.3 Å²	34.3	13%	0.132	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-41.2	179.4	0	0	0	0	0	112.6	T125 N131 F167	T125-A127 VanDerWaalsContact C-N 3.3Å; T125-A127 PolarHBondContact O-N 2.98Å; A127-N131 WeakPolarHBondContact O-CB 3.5Å; A127-N131 PolarHBondContact O-N 3.09Å; A127-N131 PolarHBondContact O-ND2 3.42Å; A127-F167 HydrophobicContact CB-CB 3.95Å; A127-F167 HydrophobicContact CB-CD1 3.98Å; A127-F167 HydrophobicContact CB-CG 4.48Å; A127-F167 WeakPolarHBondContact CB-O 3.08Å; A127-F167 PolarHBondContact N-O 2.96Å
128	A	98.1	Very high	98.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-45.6	176.5	0	0	0	0	0	110.4	T125 D126 N131 I132 P422 S423	T125-A128 PolarHBondContact O-N 2.91Å; T125-A128 VanDerWaalsContact O-N 3.11Å; T125-A128 PolarHBondContact OG1-N 2.82Å; T125-A128 VanDerWaalsContact OG1-N 3.14Å; D126-A128 PolarHBondContact O-N 3.12Å; A128-N131 PolarHBondContact O-N 3.08Å; A128-I132 WeakPolarHBondContact O-CD1 3.45Å; A128-I132 WeakPolarHBondContact O-CG1 3.16Å; A128-I132 PolarHBondContact O-N 2.83Å; A128-P422 HydrophobicContact CB-CG 4.46Å; A128-S423 WeakPolarHBondContact CA-O 3.35Å
129	A	98.4	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-46.5	179.4	0	0	0	0	0	112.2	M124 T125 D126 N131 I132 L133 L195 E196 L199	M124-A129 HydrophobicContact SD-CB 4.19Å; T125-A129 WeakPolarHBondContact O-CB 3.4Å; T125-A129 PolarHBondContact O-N 3.44Å; D126-A129 PolarHBondContact O-N 2.83Å; A129-N131 PolarHBondContact O-N 2.83Å; A129-I132 PolarHBondContact O-N 3.47Å; A129-L133 WeakPolarHBondContact O-CB 3.46Å; A129-L133 VanDerWaalsContact O-CG 3.31Å; A129-L133 WeakPolarHBondContact O-CG 3.36Å; A129-L133 PolarHBondContact O-N 2.94Å; A129-L195 HydrophobicContact CB-CB 3.78Å; A129-E196 HydrophobicContact CB-CG 4.35Å; A129-L199 VanDerWaalsContact CA-CD1 3.48Å; A129-L199 HydrophobicContact CB-CD1 3.64Å
130	L	98.6	Very high	98.5	Very high	60 Å²	60	31.9 Å²	31.9	31%	0.314	20%	0.195	S	C	.	.	H	α-helix	trans	-58.4	-47.6	176.3	-74.8	168.4	0	0	0	111.8	D126 L133 A134 I169 L195	D126-L130 VanDerWaalsContact O-CB 3.31Å; D126-L130 WeakPolarHBondContact O-CB 3.35Å; D126-L130 WeakPolarHBondContact O-CG 3.49Å; D126-L130 PolarHBondContact O-N 3.48Å; L130-L133 PolarHBondContact O-N 2.86Å; L130-A134 WeakPolarHBondContact O-CB 3.32Å; L130-A134 PolarHBondContact O-N 3.26Å; L130-I169 HydrophobicContact CD1-CD1 4Å; L130-I169 HydrophobicContact CD1-CG1 4.2Å; L130-I169 HydrophobicContact CD1-CG2 3.89Å; L130-L195 HydrophobicContact CD2-CD1 3.73Å; L130-L195 HydrophobicContact CG-CD1 4.01Å
131	N	98.5	Very high	98.5	Very high	56 Å²	56	32 Å²	32	30%	0.299	20%	0.199	S	C	.	.	H	α-helix	trans	-65.9	-40.6	180	-84.7	-63.6	0	0	0	112.5	A127 A128 A129 A134 L424	A127-N131 WeakPolarHBondContact O-CB 3.5Å; A127-N131 PolarHBondContact O-N 3.09Å; A127-N131 PolarHBondContact O-ND2 3.42Å; A128-N131 PolarHBondContact O-N 3.08Å; A129-N131 PolarHBondContact O-N 2.83Å; N131-A134 PolarHBondContact O-N 3.47Å; N131-L424 PolarHBondContact ND2-OXT 3.24Å
132	I	98.6	Very high	98.5	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-51.1	174.7	-67.1	166.1	0	0	0	109	M124 A128 A129 A134 L135 Q140 L143 L144 L199	M124-I132 HydrophobicContact SD-CD1 4.47Å; A128-I132 WeakPolarHBondContact O-CD1 3.45Å; A128-I132 WeakPolarHBondContact O-CG1 3.16Å; A128-I132 PolarHBondContact O-N 2.83Å; A129-I132 PolarHBondContact O-N 3.47Å; I132-A134 PolarHBondContact O-N 3.02Å; I132-L135 VanDerWaalsContact O-CB 3.31Å; I132-L135 WeakPolarHBondContact O-CB 3.38Å; I132-L135 PolarHBondContact O-N 2.96Å; I132-Q140 HydrophobicContact CG2-CB 4.33Å; I132-Q140 HydrophobicContact CG2-CG 4.32Å; I132-Q140 VanDerWaalsContact O-CG 3.25Å; I132-Q140 WeakPolarHBondContact O-CG 3.46Å; I132-L143 HydrophobicContact CD1-CD2 3.9Å; I132-L143 HydrophobicContact CG1-CD1 4.24Å; I132-L143 HydrophobicContact CG1-CD2 3.79Å; I132-L144 HydrophobicContact CD1-CD2 4.46Å; I132-L199 HydrophobicContact CB-CD1 4.25Å; I132-L199 HydrophobicContact CD1-CD1 4.43Å; I132-L199 HydrophobicContact CG2-CD1 4.3Å; I132-L199 HydrophobicContact CG2-CD2 3.74Å
133	L	98.3	Very high	98.5	Very high	57 Å²	57	34.6 Å²	34.6	30%	0.298	21%	0.211	S	C	.	.	H	α-helix	trans	-68.5	-18.9	-175.9	-69.4	167.3	0	0	0	114	A129 L130 L135 Q140 L195 L199	A129-L133 WeakPolarHBondContact O-CB 3.46Å; A129-L133 VanDerWaalsContact O-CG 3.31Å; A129-L133 WeakPolarHBondContact O-CG 3.36Å; A129-L133 PolarHBondContact O-N 2.94Å; L130-L133 PolarHBondContact O-N 2.86Å; L133-L135 PolarHBondContact O-N 3.36Å; L133-Q140 PolarHBondContact O-NE2 3.34Å; L133-L195 HydrophobicContact CD1-CB 3.89Å; L133-L195 HydrophobicContact CD1-CD2 3.53Å; L133-L195 HydrophobicContact CD1-CG 4.32Å; L133-L199 HydrophobicContact CD1-CD1 4.11Å; L133-L199 HydrophobicContact CD1-CG 4.43Å; L133-L199 HydrophobicContact CD2-CD2 4.08Å; L133-L199 HydrophobicContact CD2-CG 4.36Å; L133-L199 HydrophobicContact CG-CD1 4.05Å; L133-L199 HydrophobicContact CG-CD2 4.37Å; L133-L199 HydrophobicContact CG-CG 4.34Å
134	A	98.4	Very high	98.5	Very high	85 Å²	85	34.6 Å²	34.6	70%	0.702	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.2	171	0	0	0	0	0	113.5	L130 N131 I132	L130-A134 WeakPolarHBondContact O-CB 3.32Å; L130-A134 PolarHBondContact O-N 3.26Å; N131-A134 PolarHBondContact O-N 3.47Å; I132-A134 PolarHBondContact O-N 3.02Å
135	L	98.5	Very high	98.5	Very high	73 Å²	73	37.9 Å²	37.9	38%	0.382	23%	0.225	S	C	.	.	S	Bend	trans	-75	158.9	173.5	-60	175	0	0	0	111.3	I132 L133 A139 Q140 L143	I132-L135 VanDerWaalsContact O-CB 3.31Å; I132-L135 WeakPolarHBondContact O-CB 3.38Å; I132-L135 PolarHBondContact O-N 2.96Å; L133-L135 PolarHBondContact O-N 3.36Å; L135-A139 HydrophobicContact CB-CB 3.98Å; L135-A139 HydrophobicContact CD1-CB 4.39Å; L135-Q140 HydrophobicContact CB-CG 3.87Å; L135-Q140 PolarHBondContact O-NE2 3.47Å; L135-L143 HydrophobicContact CD1-CD1 3.82Å
136	S	98.6	Very high	98.5	Very high	57 Å²	57	39.7 Å²	39.7	40%	0.399	24%	0.238	S	C	.	.			trans	-65.9	150.3	169.6	66.8	0	0	0	0	111.1	A59 P138 A139 Q140	A59-S136 WeakPolarHBondContact CB-OG 3.45Å; S136-P138 VanDerWaalsContact C-CD 3.44Å; S136-P138 VanDerWaalsContact C-N 3.33Å; S136-P138 VanDerWaalsContact O-N 3.12Å; S136-A139 WeakPolarHBondContact O-CA 3.39Å; S136-A139 WeakPolarHBondContact O-CB 3.49Å; S136-A139 PolarHBondContact O-N 2.87Å; S136-Q140 WeakPolarHBondContact O-CG 2.98Å; S136-Q140 PolarHBondContact O-N 3.16Å
137	P	98.5	Very high	98.5	Very high	84 Å²	84	42 Å²	42	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-51.7	-38.9	-174.7	-26.3	32.9	0	0	0	115.5	Q140 N141	P137-Q140 WeakPolarHBondContact O-CB 3.21Å; P137-Q140 PolarHBondContact O-N 2.9Å; P137-N141 PolarHBondContact O-N 2.95Å; P137-N141 VanDerWaalsContact O-N 3.13Å; P137-N141 PolarHBondContact O-ND2 3.27Å
138	P	98.4	Very high	98.5	Very high	66 Å²	66	41.9 Å²	41.9	43%	0.429	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-41	173.9	-23.9	36.1	0	0	0	113.6	A59 S136 N141 L142	A59-P138 HydrophobicContact CB-CB 4.29Å; A59-P138 VanDerWaalsContact O-CB 3.23Å; A59-P138 WeakPolarHBondContact O-CB 3.46Å; S136-P138 VanDerWaalsContact C-CD 3.44Å; S136-P138 VanDerWaalsContact C-N 3.33Å; S136-P138 VanDerWaalsContact O-N 3.12Å; P138-N141 PolarHBondContact O-N 3.06Å; P138-L142 WeakPolarHBondContact O-CG 3.38Å; P138-L142 PolarHBondContact O-N 3.37Å
139	A	98.6	Very high	98.5	Very high	11 Å²	11	42.3 Å²	42.3	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-38.6	177.2	0	0	0	0	0	111.6	A59 L135 S136 N141 L142 L143	A59-A139 HydrophobicContact CB-CB 4.3Å; L135-A139 HydrophobicContact CB-CB 3.98Å; L135-A139 HydrophobicContact CD1-CB 4.39Å; S136-A139 WeakPolarHBondContact O-CA 3.39Å; S136-A139 WeakPolarHBondContact O-CB 3.49Å; S136-A139 PolarHBondContact O-N 2.87Å; A139-N141 VanDerWaalsContact C-N 3.31Å; A139-N141 PolarHBondContact O-N 3.49Å; A139-L142 PolarHBondContact O-N 3.39Å; A139-L143 PolarHBondContact O-N 3.24Å
140	Q	98.6	Very high	98.3	Very high	17 Å²	17	43.8 Å²	43.8	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-56.2	-46.9	172.5	-62.8	177.6	11.2	0	0	111.4	I132 L133 L135 S136 P137 L142 L143 L144 R202	I132-Q140 HydrophobicContact CG2-CB 4.33Å; I132-Q140 HydrophobicContact CG2-CG 4.32Å; I132-Q140 VanDerWaalsContact O-CG 3.25Å; I132-Q140 WeakPolarHBondContact O-CG 3.46Å; L133-Q140 PolarHBondContact O-NE2 3.34Å; L135-Q140 HydrophobicContact CB-CG 3.87Å; L135-Q140 PolarHBondContact O-NE2 3.47Å; S136-Q140 WeakPolarHBondContact O-CG 2.98Å; S136-Q140 PolarHBondContact O-N 3.16Å; P137-Q140 WeakPolarHBondContact O-CB 3.21Å; P137-Q140 PolarHBondContact O-N 2.9Å; Q140-L142 PolarHBondContact O-N 2.61Å; Q140-L143 PolarHBondContact O-N 3.46Å; Q140-L144 WeakPolarHBondContact O-CG 3.41Å; Q140-L144 PolarHBondContact O-N 3.32Å; Q140-R202 VanDerWaalsContact OE1-NH2 3.07Å
141	N	98.6	Very high	98.2	Very high	73 Å²	73	44.3 Å²	44.3	39%	0.39	25%	0.254	S	S	.	.	H	α-helix	trans	-65.7	-38.4	-179.8	-71.4	-18.3	0	0	0	112.2	P137 P138 A139 K145 R202	P137-N141 PolarHBondContact O-N 2.95Å; P137-N141 VanDerWaalsContact O-N 3.13Å; P137-N141 PolarHBondContact O-ND2 3.27Å; P138-N141 PolarHBondContact O-N 3.06Å; A139-N141 VanDerWaalsContact C-N 3.31Å; A139-N141 PolarHBondContact O-N 3.49Å; N141-K145 WeakPolarHBondContact O-CB 3.33Å; N141-K145 WeakPolarHBondContact O-CG 3.43Å; N141-K145 PolarHBondContact O-N 2.71Å; N141-R202 PolarHBondContact OD1-NH2 2.93Å
142	L	98.6	Very high	98.1	Very high	26 Å²	26	42.2 Å²	42.2	14%	0.136	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-43.8	175	-72.3	170.6	0	0	0	111.4	N58 C62 P138 A139 Q140 K145 S146	N58-L142 WeakPolarHBondContact O-CD1 3.32Å; C62-L142 HydrophobicContact CB-CB 4Å; C62-L142 HydrophobicContact CB-CD1 4.26Å; C62-L142 HydrophobicContact CB-CD2 4.14Å; C62-L142 HydrophobicContact CB-CG 4.36Å; P138-L142 WeakPolarHBondContact O-CG 3.38Å; P138-L142 PolarHBondContact O-N 3.37Å; A139-L142 PolarHBondContact O-N 3.39Å; Q140-L142 PolarHBondContact O-N 2.61Å; L142-K145 PolarHBondContact O-N 3.47Å; L142-S146 PolarHBondContact O-N 2.8Å; L142-S146 PolarHBondContact O-OG 2.96Å; L142-S146 VanDerWaalsContact O-OG 3.04Å
143	L	98.6	Very high	98.1	Very high	35 Å²	35	46 Å²	46	18%	0.183	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-47.9	175.7	-177	156.5	0	0	0	111.9	I132 L135 A139 Q140 K145 S146 Y147	I132-L143 HydrophobicContact CD1-CD2 3.9Å; I132-L143 HydrophobicContact CG1-CD1 4.24Å; I132-L143 HydrophobicContact CG1-CD2 3.79Å; L135-L143 HydrophobicContact CD1-CD1 3.82Å; A139-L143 PolarHBondContact O-N 3.24Å; Q140-L143 PolarHBondContact O-N 3.46Å; L143-K145 VanDerWaalsContact C-N 3.33Å; L143-K145 PolarHBondContact O-N 2.95Å; L143-S146 WeakPolarHBondContact O-CB 3.3Å; L143-S146 PolarHBondContact O-N 3.17Å; L143-Y147 HydrophobicContact CD2-CD2 4.11Å; L143-Y147 HydrophobicContact CD2-CE2 4.2Å; L143-Y147 PolarHBondContact O-N 3.02Å
144	L	98.6	Very high	98.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-38.1	178.3	-67.8	174.9	0	0	0	111.7	I132 Q140 Y147 F148 L199 R202 L206	I132-L144 HydrophobicContact CD1-CD2 4.46Å; Q140-L144 WeakPolarHBondContact O-CG 3.41Å; Q140-L144 PolarHBondContact O-N 3.32Å; L144-Y147 PolarHBondContact O-N 3.11Å; L144-F148 HydrophobicContact CD2-CD2 4.38Å; L144-F148 HydrophobicContact CD2-CE2 4.23Å; L144-F148 WeakPolarHBondContact O-CD2 3.49Å; L144-F148 PolarHBondContact O-N 3.49Å; L144-L199 HydrophobicContact CD1-CD2 4.17Å; L144-R202 HydrophobicContact CD1-CB 3.82Å; L144-L206 HydrophobicContact CB-CD1 3.53Å
145	K	98.3	Very high	98.1	Very high	74 Å²	74	41.1 Å²	41.1	32%	0.322	23%	0.226	S	C	.	.	H	α-helix	trans	-60.7	-45.2	173.1	-83.4	-175.7	163.5	-143.7	0	111.8	N141 L142 L143 Y147 F148 S149 E151 L206	N141-K145 WeakPolarHBondContact O-CB 3.33Å; N141-K145 WeakPolarHBondContact O-CG 3.43Å; N141-K145 PolarHBondContact O-N 2.71Å; L142-K145 PolarHBondContact O-N 3.47Å; L143-K145 VanDerWaalsContact C-N 3.33Å; L143-K145 PolarHBondContact O-N 2.95Å; K145-Y147 PolarHBondContact O-N 3.35Å; K145-Y147 VanDerWaalsContact O-N 3.13Å; K145-F148 PolarHBondContact O-N 2.87Å; K145-S149 PolarHBondContact O-N 2.85Å; K145-S149 PolarHBondContact O-OG 3.4Å; K145-E151 IonicContact NZ-OE2 2.65Å; K145-E151 PolarHBondContact NZ-OE2 3.44Å; K145-L206 HydrophobicContact CG-CD1 4.19Å; K145-L206 HydrophobicContact CG-CD2 3.91Å
146	S	98.4	Very high	98.1	Very high	38 Å²	38	39 Å²	39	27%	0.266	22%	0.216	S	C	.	.	H	α-helix	trans	-53.2	-36.4	179	-62.3	0	0	0	0	112.4	C62 L142 L143 G152 I153	C62-S146 PolarHBondContact SG-OG 2.72Å; L142-S146 PolarHBondContact O-N 2.8Å; L142-S146 PolarHBondContact O-OG 2.96Å; L142-S146 VanDerWaalsContact O-OG 3.04Å; L143-S146 WeakPolarHBondContact O-CB 3.3Å; L143-S146 PolarHBondContact O-N 3.17Å; S146-G152 CarbonylContact O-C 3.33Å; S146-G152 VanDerWaalsContact O-CA 3.3Å; S146-G152 WeakPolarHBondContact O-CA 3.48Å; S146-I153 PolarHBondContact O-N 2.91Å
147	Y	98.6	Very high	98.1	Very high	51 Å²	51	36.3 Å²	36.3	20%	0.2	20%	0.197	C	C	.	.	H	α-helix	trans	-84.9	-50.3	176.8	-74.1	-62.6	0	0	0	113.8	L143 L144 K145 I153 G154 Y155 P422	L143-Y147 HydrophobicContact CD2-CD2 4.11Å; L143-Y147 HydrophobicContact CD2-CE2 4.2Å; L143-Y147 PolarHBondContact O-N 3.02Å; L144-Y147 PolarHBondContact O-N 3.11Å; K145-Y147 PolarHBondContact O-N 3.35Å; K145-Y147 VanDerWaalsContact O-N 3.13Å; Y147-I153 HydrophobicContact CD1-CD1 3.88Å; Y147-I153 HydrophobicContact CD1-CG1 4.34Å; Y147-I153 HydrophobicContact CE1-CD1 4.2Å; Y147-G154 PolarHBondContact O-N 3.31Å; Y147-G154 VanDerWaalsContact O-N 3.12Å; Y147-Y155 AromaticContact CD1-CD2 3.79Å; Y147-Y155 HydrophobicContact CD1-CD2 3.79Å; Y147-Y155 AromaticContact CD1-CE2 3.54Å; Y147-Y155 HydrophobicContact CD1-CE2 3.54Å; Y147-Y155 HydrophobicContact CD1-CG 4.4Å; Y147-Y155 AromaticContact CD1-CZ 3.97Å; Y147-Y155 AromaticContact CE1-CE2 3.96Å; Y147-Y155 HydrophobicContact CE1-CE2 3.96Å; Y147-Y155 HydrophobicContact CG-CD2 4.33Å; Y147-Y155 HydrophobicContact CG-CE2 4.44Å; Y147-Y155 WeakPolarHBondContact O-CB 3.49Å; Y147-Y155 PolarHBondContact O-N 2.68Å; Y147-P422 HydrophobicContact CD2-CB 4.42Å; Y147-P422 HydrophobicContact CE1-CB 4.24Å; Y147-P422 HydrophobicContact CE2-CB 3.79Å; Y147-P422 PolarHBondContact OH-O 2.89Å
148	F	98.3	Very high	98.1	Very high	14 Å²	14	32.4 Å²	32.4	6%	0.061	17%	0.171	C	C	.	.	H	α-helix	trans	-104.2	-21.1	-161.4	-64.1	-73.2	0	0	0	115.3	L144 K145 I158 A203 L206 A207	L144-F148 HydrophobicContact CD2-CD2 4.38Å; L144-F148 HydrophobicContact CD2-CE2 4.23Å; L144-F148 WeakPolarHBondContact O-CD2 3.49Å; L144-F148 PolarHBondContact O-N 3.49Å; K145-F148 PolarHBondContact O-N 2.87Å; F148-I158 HydrophobicContact CE1-CD1 3.67Å; F148-I158 HydrophobicContact CE1-CG1 3.6Å; F148-I158 HydrophobicContact CZ-CD1 3.7Å; F148-I158 HydrophobicContact CZ-CG1 3.76Å; F148-A203 HydrophobicContact CD1-CB 4.11Å; F148-A203 HydrophobicContact CD2-CB 3.46Å; F148-A203 VanDerWaalsContact CD2-CB 3.46Å; F148-A203 HydrophobicContact CE1-CB 4.14Å; F148-A203 HydrophobicContact CE2-CB 3.5Å; F148-A203 HydrophobicContact CG-CB 3.79Å; F148-A203 HydrophobicContact CZ-CB 3.86Å; F148-L206 HydrophobicContact CB-CB 4.5Å; F148-A207 HydrophobicContact CB-CB 4.41Å; F148-A207 WeakPolarHBondContact O-CA 3.46Å
149	S	97.6	Very high	98.1	Very high	8 Å²	8	29.3 Å²	29.3	6%	0.056	15%	0.151	C	C	.	.	S	Bend	trans	-84.3	163.1	-179	81.4	0	0	0	0	112.2	K145 E151 G152 G154	K145-S149 PolarHBondContact O-N 2.85Å; K145-S149 PolarHBondContact O-OG 3.4Å; S149-E151 PolarHBondContact O-N 3.38Å; S149-E151 PolarHBondContact OG-N 3.04Å; S149-G152 CarbonylContact O-C 3.5Å; S149-G152 WeakPolarHBondContact O-CA 3.11Å; S149-G152 PolarHBondContact O-N 3.16Å; S149-G152 PolarHBondContact OG-N 3.47Å; S149-G154 PolarHBondContact O-N 3.49Å
150	E	95.7	Very high	98.2	Very high	31 Å²	31	28.8 Å²	28.8	15%	0.145	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.9	171.2	-63.6	-64.9	143.6	0	0	112.8	Q208 R209	E150-Q208 HydrophobicContact CG-CB 4.02Å; E150-Q208 HydrophobicContact CG-CG 4.07Å; E150-R209 WeakPolarHBondContact OE1-CG 3.32Å; E150-R209 IonicContact OE1-CZ 3.05Å; E150-R209 IonicContact OE1-NE 2.79Å; E150-R209 PolarHBondContact OE1-NE 3.49Å; E150-R209 IonicContact OE1-NH2 3.41Å; E150-R209 IonicContact OE2-CZ 3.61Å; E150-R209 IonicContact OE2-NE 3.19Å; E150-R209 IonicContact OE2-NH2 3.84Å; E150-R209 PolarHBondContact OE2-NH2 2.83Å
151	E	96.2	Very high	98.2	Very high	72 Å²	72	28 Å²	28	34%	0.336	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.2	169.3	-59.1	164.4	175.6	0	0	111.3	S64 F65 K145 S149	S64-E151 WeakPolarHBondContact CA-O 3.29Å; F65-E151 WeakPolarHBondContact CD2-O 3.33Å; F65-E151 PolarHBondContact N-O 3.15Å; K145-E151 IonicContact NZ-OE2 2.65Å; K145-E151 PolarHBondContact NZ-OE2 3.44Å; S149-E151 PolarHBondContact O-N 3.38Å; S149-E151 PolarHBondContact OG-N 3.04Å
152	G	97.1	Very high	98.2	Very high	12 Å²	12	24.6 Å²	24.6	12%	0.124	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-144.4	174.4	0	0	0	0	0	111.5	F65 S146 S149	F65-G152 VanDerWaalsContact CD2-O 3.32Å; F65-G152 WeakPolarHBondContact CD2-O 3.39Å; S146-G152 CarbonylContact O-C 3.33Å; S146-G152 VanDerWaalsContact O-CA 3.3Å; S146-G152 WeakPolarHBondContact O-CA 3.48Å; S149-G152 CarbonylContact O-C 3.5Å; S149-G152 WeakPolarHBondContact O-CA 3.11Å; S149-G152 PolarHBondContact O-N 3.16Å; S149-G152 PolarHBondContact OG-N 3.47Å
153	I	97.5	Very high	98.2	Very high	80 Å²	80	23.4 Å²	23.4	41%	0.41	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.1	-176.8	68.2	179	0	0	0	114.4	F65 S146 Y147 Y155	F65-I153 HydrophobicContact CE2-CG2 4.34Å; S146-I153 PolarHBondContact O-N 2.91Å; Y147-I153 HydrophobicContact CD1-CD1 3.88Å; Y147-I153 HydrophobicContact CD1-CG1 4.34Å; Y147-I153 HydrophobicContact CE1-CD1 4.2Å; I153-Y155 HydrophobicContact CD1-CD1 3.77Å; I153-Y155 HydrophobicContact CD1-CE1 3.28Å; I153-Y155 HydrophobicContact CG1-CD1 3.74Å; I153-Y155 HydrophobicContact CG1-CE1 3.82Å
154	G	97.7	Very high	98.2	Very high	5 Å²	5	21.9 Å²	21.9	5%	0.052	11%	0.111	C	C	.	.			trans	62.8	44	169.9	0	0	0	0	0	115.3	Y147 S149 R209	Y147-G154 PolarHBondContact O-N 3.31Å; Y147-G154 VanDerWaalsContact O-N 3.12Å; S149-G154 PolarHBondContact O-N 3.49Å; G154-R209 PolarHBondContact O-NH1 2.96Å
155	Y	98.6	Very high	98.2	Very high	35 Å²	35	21.9 Å²	21.9	14%	0.137	11%	0.111	C	C	.	.			trans	-54.4	139.6	171	-85.1	11.7	0	0	0	111.4	Y147 I153	Y147-Y155 AromaticContact CD1-CD2 3.79Å; Y147-Y155 HydrophobicContact CD1-CD2 3.79Å; Y147-Y155 AromaticContact CD1-CE2 3.54Å; Y147-Y155 HydrophobicContact CD1-CE2 3.54Å; Y147-Y155 HydrophobicContact CD1-CG 4.4Å; Y147-Y155 AromaticContact CD1-CZ 3.97Å; Y147-Y155 AromaticContact CE1-CE2 3.96Å; Y147-Y155 HydrophobicContact CE1-CE2 3.96Å; Y147-Y155 HydrophobicContact CG-CD2 4.33Å; Y147-Y155 HydrophobicContact CG-CE2 4.44Å; Y147-Y155 WeakPolarHBondContact O-CB 3.49Å; Y147-Y155 PolarHBondContact O-N 2.68Å; I153-Y155 HydrophobicContact CD1-CD1 3.77Å; I153-Y155 HydrophobicContact CD1-CE1 3.28Å; I153-Y155 HydrophobicContact CG1-CD1 3.74Å; I153-Y155 HydrophobicContact CG1-CE1 3.82Å
156	N	98.8	Very high	98.1	Very high	30 Å²	30	21.1 Å²	21.1	16%	0.16	11%	0.11	C	C	.	.			trans	-133.2	15.4	-179.9	78.3	-43.8	0	0	0	113	K118 G119 F120 R209 V211 S212	K118-N156 PolarHBondContact O-ND2 3.39Å; G119-N156 WeakPolarHBondContact CA-OD1 3.3Å; F120-N156 PolarHBondContact N-OD1 3.03Å; F120-N156 PolarHBondContact O-N 3Å; F120-N156 PolarHBondContact O-OD1 3.04Å; N156-R209 HydrophobicContact CB-CB 4.34Å; N156-V211 CarbonylContact O-C 3.47Å; N156-V211 WeakPolarHBondContact O-CA 3.3Å; N156-S212 PolarHBondContact O-N 3.25Å
157	I	98.9	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.9	172.5	-57.1	-177	0	0	0	109.2	K118 F120 G121 G122 S212 F376 T418	K118-I157 HydrophobicContact CG-CD1 4.13Å; F120-I157 PolarHBondContact O-N 3.37Å; G121-I157 WeakPolarHBondContact CA-O 3.32Å; G122-I157 PolarHBondContact N-O 3.08Å; I157-S212 VanDerWaalsContact CA-O 3.3Å; I157-S212 WeakPolarHBondContact CA-O 3.22Å; I157-F376 HydrophobicContact CD1-CE2 3.53Å; I157-F376 HydrophobicContact CD1-CZ 3.53Å; I157-F376 HydrophobicContact CG2-CZ 4.33Å; I157-T418 HydrophobicContact CG2-CG2 4.26Å
158	I	98.9	Very high	98	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	119.5	167.7	-57.5	173.2	0	0	0	107.7	G122 M124 F148 V160 I200 A203 V211 S212 L213 L214	G122-I158 CarbonylContact O-C 3.52Å; G122-I158 VanDerWaalsContact O-CA 3.31Å; G122-I158 WeakPolarHBondContact O-CA 3.43Å; M124-I158 HydrophobicContact CB-CG2 3.69Å; F148-I158 HydrophobicContact CE1-CD1 3.67Å; F148-I158 HydrophobicContact CE1-CG1 3.6Å; F148-I158 HydrophobicContact CZ-CD1 3.7Å; F148-I158 HydrophobicContact CZ-CG1 3.76Å; I158-V160 HydrophobicContact CG2-CG2 4.05Å; I158-I200 HydrophobicContact CD1-CG2 4.43Å; I158-I200 HydrophobicContact CG2-CG1 4.47Å; I158-A203 HydrophobicContact CD1-CB 3.93Å; I158-V211 HydrophobicContact CD1-CG1 3.9Å; I158-V211 HydrophobicContact CG1-CG1 3.81Å; I158-S212 PolarHBondContact N-O 3.4Å; I158-L213 HydrophobicContact CB-CD2 3.82Å; I158-L213 HydrophobicContact CD1-CD2 4.2Å; I158-L213 HydrophobicContact CG1-CD2 4.38Å; I158-L213 WeakPolarHBondContact O-CA 3.49Å; I158-L214 PolarHBondContact O-N 2.62Å
159	R	98.9	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.6	168.7	-173.5	170.3	-178.9	-121	11.5	109.2	G122 A123 M124 L214 S216 N273 D321 S378 E379 T418	G122-R159 PolarHBondContact O-N 2.86Å; A123-R159 CarbonylContact C-O 3.56Å; A123-R159 WeakPolarHBondContact CA-O 3.45Å; A123-R159 HydrophobicContact CB-CB 4.05Å; M124-R159 PolarHBondContact N-O 2.69Å; R159-L214 CarbonylContact C-O 3.49Å; R159-L214 WeakPolarHBondContact CA-O 3.18Å; R159-L214 HydrophobicContact CG-CD2 4.3Å; R159-L214 HydrophobicContact CG-CG 4.31Å; R159-S216 PolarHBondContact NE-OG 3.08Å; R159-S216 PolarHBondContact NH2-OG 3.13Å; R159-S216 VanDerWaalsContact NH2-OG 3.14Å; R159-N273 PolarHBondContact NH2-OD1 3.44Å; R159-D321 IonicContact CZ-OD2 2.67Å; R159-D321 IonicContact NH2-OD1 3.68Å; R159-D321 IonicContact NH2-OD2 2.9Å; R159-D321 PolarHBondContact NH2-OD2 2.5Å; R159-S378 WeakPolarHBondContact CD-O 3.37Å; R159-E379 IonicContact CZ-OE2 3.44Å; R159-E379 IonicContact NH1-OE2 2.78Å; R159-E379 PolarHBondContact NH1-OE2 2.84Å; R159-E379 IonicContact NH2-OE2 3.26Å; R159-T418 HydrophobicContact CB-CG2 4.13Å
160	V	98.9	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	118	-175.4	-175.5	0	0	0	0	108.2	I158 I200 L214 A215 S216 Y259 F266	I158-V160 HydrophobicContact CG2-CG2 4.05Å; V160-I200 HydrophobicContact CG1-CD1 4.34Å; V160-I200 HydrophobicContact CG2-CD1 3.73Å; V160-L214 PolarHBondContact N-O 3.02Å; V160-A215 VanDerWaalsContact O-CA 3.29Å; V160-A215 WeakPolarHBondContact O-CA 3.27Å; V160-S216 PolarHBondContact O-N 3Å; V160-Y259 HydrophobicContact CG1-CE1 4.09Å; V160-F266 HydrophobicContact CB-CE1 4.06Å; V160-F266 HydrophobicContact CB-CZ 4.25Å; V160-F266 HydrophobicContact CG1-CZ 4.5Å; V160-F266 HydrophobicContact CG2-CE1 4.16Å; V160-F266 HydrophobicContact CG2-CZ 4.38Å
161	P	98.9	Very high	98.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	138.6	170.8	-25.4	36.9	0	0	0	113.8	M124 T125 A163 W218 W420	M124-P161 VanDerWaalsContact O-CD 3.23Å; M124-P161 WeakPolarHBondContact O-CD 3.48Å; T125-P161 HydrophobicContact CG2-CG 3.92Å; P161-A163 WeakPolarHBondContact CB-O 3.41Å; P161-A163 PolarHBondContact O-N 2.81Å; P161-W218 VanDerWaalsContact CA-CZ3 3.5Å; P161-W218 HydrophobicContact CB-CE3 3.85Å; P161-W218 HydrophobicContact CB-CH2 4.02Å; P161-W218 HydrophobicContact CB-CZ3 3.31Å; P161-W218 HydrophobicContact CG-CH2 3.85Å; P161-W218 HydrophobicContact CG-CZ3 3.68Å; P161-W420 HydrophobicContact CG-CH2 4.5Å
162	M	98.9	Very high	98.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	93.6	167.7	-62.7	169.4	57.7	0	0	107.5	Y174 A215 S216 P217 Y251 F252 F255	M162-Y174 HydrophobicContact CB-CE2 4.16Å; M162-A215 HydrophobicContact CG-CB 3.9Å; M162-A215 HydrophobicContact SD-CB 4.05Å; M162-S216 PolarHBondContact N-O 2.96Å; M162-P217 HydrophobicContact CB-CB 4Å; M162-P217 HydrophobicContact CE-CB 4.38Å; M162-P217 HydrophobicContact SD-CB 4.15Å; M162-P217 HydrophobicContact SD-CG 4.14Å; M162-Y251 HydrophobicContact CE-CD1 4.1Å; M162-Y251 HydrophobicContact CE-CE1 4.13Å; M162-F252 HydrophobicContact CE-CB 4.48Å; M162-F252 HydrophobicContact CE-CD1 3.76Å; M162-F252 HydrophobicContact CE-CD2 4.31Å; M162-F252 HydrophobicContact CE-CE1 4.04Å; M162-F252 HydrophobicContact CE-CG 3.92Å; M162-F252 HydrophobicContact CE-CZ 4.46Å; M162-F252 HydrophobicContact SD-CD1 4.04Å; M162-F252 HydrophobicContact SD-CE1 3.97Å; M162-F255 HydrophobicContact CB-CD2 4.46Å; M162-F255 HydrophobicContact CB-CE2 4.38Å; M162-F255 HydrophobicContact CE-CB 4.01Å; M162-F255 HydrophobicContact CE-CD1 3.99Å; M162-F255 HydrophobicContact CE-CG 3.96Å; M162-F255 HydrophobicContact CG-CD1 3.97Å; M162-F255 HydrophobicContact CG-CD2 4.03Å; M162-F255 HydrophobicContact CG-CE1 3.81Å; M162-F255 HydrophobicContact CG-CE2 3.8Å; M162-F255 HydrophobicContact CG-CG 4.08Å; M162-F255 HydrophobicContact CG-CZ 3.69Å; M162-F255 HydrophobicContact SD-CD1 4.1Å; M162-F255 HydrophobicContact SD-CE1 4.24Å; M162-F255 HydrophobicContact SD-CG 4.49Å
163	A	98.8	Very high	98.4	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.017	15%	0.148	C	C	.	.	S	Bend	trans	68.3	-151.7	-171.9	0	0	0	0	0	113.4	P161 Y172 Y174	P161-A163 WeakPolarHBondContact CB-O 3.41Å; P161-A163 PolarHBondContact O-N 2.81Å; A163-Y172 HydrophobicContact CB-CD2 3.88Å; A163-Y172 HydrophobicContact CB-CE2 3.69Å; A163-Y172 WeakPolarHBondContact CB-O 3.35Å; A163-Y174 HydrophobicContact CB-CD1 4.01Å; A163-Y174 HydrophobicContact CB-CD2 4.38Å; A163-Y174 HydrophobicContact CB-CE1 3.73Å; A163-Y174 HydrophobicContact CB-CE2 4.08Å; A163-Y174 HydrophobicContact CB-CG 4.34Å; A163-Y174 PolarHBondContact N-OH 3.19Å
164	S	98.7	Very high	98.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.014	13%	0.13	C	C	.	.			trans	-78.5	142.9	-164.5	79.7	0	0	0	0	114.5	S168 R170 T171 Y172 Q286	S164-S168 VanDerWaalsContact CA-OG 3.32Å; S164-S168 WeakPolarHBondContact CA-OG 3.5Å; S164-R170 VanDerWaalsContact CB-O 3.31Å; S164-R170 WeakPolarHBondContact CB-O 3.48Å; S164-T171 WeakPolarHBondContact OG-CA 3.42Å; S164-Y172 VanDerWaalsContact CB-CD1 3.49Å; S164-Y172 VanDerWaalsContact CB-CE1 3.47Å; S164-Y172 PolarHBondContact N-O 2.82Å; S164-Y172 PolarHBondContact OG-N 2.91Å; S164-Y172 PolarHBondContact OG-O 3.3Å; S164-Y172 VanDerWaalsContact OG-O 3.09Å; S164-Q286 PolarHBondContact O-NE2 2.79Å; S164-Q286 PolarHBondContact OG-NE2 2.91Å
165	C	98.5	Very high	98.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.127	C	C	.	.			trans	-122.5	-171.4	171.3	64.3	0	0	0	0	111.6	F167 S168 W218 Q286	C165-F167 PolarHBondContact O-N 3.04Å; C165-F167 PolarHBondContact SG-N 2.7Å; C165-F167 VanDerWaalsContact SG-N 3.43Å; C165-S168 PolarHBondContact N-OG 2.81Å; C165-S168 VanDerWaalsContact O-CB 3.26Å; C165-S168 WeakPolarHBondContact O-CB 3.29Å; C165-S168 PolarHBondContact O-N 2.84Å; C165-S168 VanDerWaalsContact O-N 3.08Å; C165-S168 PolarHBondContact O-OG 2.97Å; C165-W218 HydrophobicContact CB-CD2 3.37Å; C165-W218 VanDerWaalsContact CB-CE2 3.41Å; C165-W218 HydrophobicContact CB-CE3 3.82Å; C165-W218 HydrophobicContact CB-CG 3.75Å; C165-W218 HydrophobicContact CB-CH2 4.41Å; C165-W218 HydrophobicContact CB-CZ2 3.97Å; C165-W218 HydrophobicContact CB-CZ3 4.33Å; C165-Q286 VanDerWaalsContact CA-NE2 3.32Å; C165-Q286 PolarHBondContact O-NE2 2.96Å
166	D	96.6	Very high	98.5	Very high	58 Å²	58	27.2 Å²	27.2	31%	0.31	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.8	173.6	65.2	-45.3	0	0	0	113	S168 F285	D166-S168 VanDerWaalsContact C-N 3.28Å; D166-F285 HydrophobicContact CB-CB 3.88Å; D166-F285 HydrophobicContact CB-CD1 3.94Å; D166-F285 HydrophobicContact CB-CD2 3.81Å; D166-F285 HydrophobicContact CB-CE1 4.4Å; D166-F285 HydrophobicContact CB-CE2 4.24Å; D166-F285 HydrophobicContact CB-CG 3.63Å
167	F	97.3	Very high	98.5	Very high	28 Å²	28	28.7 Å²	28.7	12%	0.123	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	24.9	171	-75.3	-85.7	0	0	0	113.6	T125 A127 C165 W420 N421 L424	T125-F167 HydrophobicContact CG2-CB 4.26Å; A127-F167 HydrophobicContact CB-CB 3.95Å; A127-F167 HydrophobicContact CB-CD1 3.98Å; A127-F167 HydrophobicContact CB-CG 4.48Å; A127-F167 WeakPolarHBondContact CB-O 3.08Å; A127-F167 PolarHBondContact N-O 2.96Å; C165-F167 PolarHBondContact O-N 3.04Å; C165-F167 PolarHBondContact SG-N 2.7Å; C165-F167 VanDerWaalsContact SG-N 3.43Å; F167-W420 AromaticContact CD2-CE2 3.92Å; F167-W420 HydrophobicContact CD2-CZ2 4.07Å; F167-W420 AromaticContact CD2-NE1 3.18Å; F167-W420 AromaticContact CE2-CD1 3.67Å; F167-W420 AromaticContact CE2-NE1 3.07Å; F167-N421 WeakPolarHBondContact CD1-ND2 3.42Å; F167-N421 VanDerWaalsContact CD2-ND2 3.27Å; F167-N421 WeakPolarHBondContact CD2-ND2 3.41Å; F167-N421 VanDerWaalsContact CE1-ND2 3.29Å; F167-N421 WeakPolarHBondContact CE1-ND2 3.38Å; F167-N421 WeakPolarHBondContact CE2-ND2 3.32Å; F167-N421 WeakPolarHBondContact CG-ND2 3.45Å; F167-N421 WeakPolarHBondContact CZ-ND2 3.48Å; F167-L424 HydrophobicContact CD1-CD2 3.61Å; F167-L424 HydrophobicContact CE1-CD1 4.42Å; F167-L424 HydrophobicContact CE1-CD2 3.31Å; F167-L424 HydrophobicContact CZ-CD2 4.34Å
168	S	98.1	Very high	98.4	Very high	22 Å²	22	33.2 Å²	33.2	15%	0.154	18%	0.179	C	C	.	.			trans	-108.7	145.8	171.1	-60.9	0	0	0	0	111	D126 S164 C165 D166 R170	D126-S168 WeakPolarHBondContact OD2-CB 3.49Å; D126-S168 PolarHBondContact OD2-OG 3.41Å; S164-S168 VanDerWaalsContact CA-OG 3.32Å; S164-S168 WeakPolarHBondContact CA-OG 3.5Å; C165-S168 PolarHBondContact N-OG 2.81Å; C165-S168 VanDerWaalsContact O-CB 3.26Å; C165-S168 WeakPolarHBondContact O-CB 3.29Å; C165-S168 PolarHBondContact O-N 2.84Å; C165-S168 VanDerWaalsContact O-N 3.08Å; C165-S168 PolarHBondContact O-OG 2.97Å; D166-S168 VanDerWaalsContact C-N 3.28Å; S168-R170 VanDerWaalsContact C-N 3.29Å; S168-R170 WeakPolarHBondContact CB-O 3.39Å
169	I	97.4	Very high	98.4	Very high	142 Å²	142	38 Å²	38	73%	0.728	20%	0.204	S	C	*	.	S	Bend	trans	-81.8	-10.2	176.6	61.8	169.9	0	0	0	113.2	L130	L130-I169 HydrophobicContact CD1-CD1 4Å; L130-I169 HydrophobicContact CD1-CG1 4.2Å; L130-I169 HydrophobicContact CD1-CG2 3.89Å
170	R	98.1	Very high	98.4	Very high	113 Å²	113	38.7 Å²	38.7	43%	0.426	21%	0.208	S	C	.	.	S	Bend	trans	-142.8	145.9	178.4	-180	176.2	65.7	94.5	0.7	109.3	S164 S168 Y172 E191	S164-R170 VanDerWaalsContact CB-O 3.31Å; S164-R170 WeakPolarHBondContact CB-O 3.48Å; S168-R170 VanDerWaalsContact C-N 3.29Å; S168-R170 WeakPolarHBondContact CB-O 3.39Å; R170-Y172 VanDerWaalsContact NH1-CB 3.29Å; R170-Y172 WeakPolarHBondContact O-CD1 3.21Å; R170-E191 IonicContact CZ-OE1 3.73Å; R170-E191 IonicContact NE-OE1 2.68Å; R170-E191 PolarHBondContact NE-OE1 3.4Å; R170-E191 VanDerWaalsContact NH2-CD 3.33Å; R170-E191 IonicContact NH2-OE1 3.94Å; R170-E191 PolarHBondContact NH2-OE1 3.1Å; R170-E191 IonicContact NH2-OE2 3.76Å; R170-E191 PolarHBondContact NH2-OE2 3.46Å
171	T	98.5	Very high	98.4	Very high	81 Å²	81	40.8 Å²	40.8	50%	0.497	22%	0.217	S	C	.	.			trans	-85.6	125.6	170.6	55	0	0	0	0	110.4	S164 V230	S164-T171 WeakPolarHBondContact OG-CA 3.42Å; T171-V230 HydrophobicContact CG2-CG2 4.15Å
172	Y	98.8	Very high	98.3	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.012	25%	0.247	C	C	.	.			trans	-156.8	156.2	178.9	65.9	-92.1	0	0	0	111.8	D126 A163 S164 R170 Y174 P189 E191	D126-Y172 PolarHBondContact OD1-OH 2.82Å; D126-Y172 WeakPolarHBondContact OD2-CE1 3.1Å; D126-Y172 PolarHBondContact OD2-OH 2.85Å; D126-Y172 VanDerWaalsContact OD2-OH 3.08Å; A163-Y172 HydrophobicContact CB-CD2 3.88Å; A163-Y172 HydrophobicContact CB-CE2 3.69Å; A163-Y172 WeakPolarHBondContact CB-O 3.35Å; S164-Y172 VanDerWaalsContact CB-CD1 3.49Å; S164-Y172 VanDerWaalsContact CB-CE1 3.47Å; S164-Y172 PolarHBondContact N-O 2.82Å; S164-Y172 PolarHBondContact OG-N 2.91Å; S164-Y172 PolarHBondContact OG-O 3.3Å; S164-Y172 VanDerWaalsContact OG-O 3.09Å; R170-Y172 VanDerWaalsContact NH1-CB 3.29Å; R170-Y172 WeakPolarHBondContact O-CD1 3.21Å; Y172-Y174 HydrophobicContact CE2-CE1 4.44Å; Y172-P189 HydrophobicContact CD2-CG 3.73Å; Y172-P189 HydrophobicContact CE2-CG 3.47Å; Y172-P189 VanDerWaalsContact CE2-CG 3.47Å; Y172-E191 HydrophobicContact CE1-CB 4.21Å; Y172-E191 HydrophobicContact CE1-CG 3.75Å; Y172-E191 WeakPolarHBondContact OH-CB 3.5Å
173	T	98.9	Very high	98.3	Very high	8 Å²	8	47.3 Å²	47.3	5%	0.049	25%	0.248	C	C	.	.			trans	-123.7	173.1	164.7	78.9	0	0	0	0	109.6	A175 D176 T219	T173-A175 PolarHBondContact O-N 3.44Å; T173-A175 PolarHBondContact OG1-N 3.4Å; T173-D176 WeakPolarHBondContact CB-OD1 3.21Å; T173-D176 PolarHBondContact N-OD1 2.79Å; T173-D176 PolarHBondContact N-OD2 2.85Å; T173-D176 PolarHBondContact OG1-OD1 3.35Å; T173-T219 HydrophobicContact CG2-CG2 4.19Å
174	Y	98.9	Very high	98.3	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.016	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.8	176.4	-54.8	-44.5	0	0	0	113.1	M162 A163 Y172 F186 S187 L188 D192 Y251 F255	M162-Y174 HydrophobicContact CB-CE2 4.16Å; A163-Y174 HydrophobicContact CB-CD1 4.01Å; A163-Y174 HydrophobicContact CB-CD2 4.38Å; A163-Y174 HydrophobicContact CB-CE1 3.73Å; A163-Y174 HydrophobicContact CB-CE2 4.08Å; A163-Y174 HydrophobicContact CB-CG 4.34Å; A163-Y174 PolarHBondContact N-OH 3.19Å; Y172-Y174 HydrophobicContact CE2-CE1 4.44Å; Y174-F186 VanDerWaalsContact CB-CE2 3.4Å; Y174-F186 AromaticContact CD2-CE2 3.79Å; Y174-F186 HydrophobicContact CD2-CE2 3.79Å; Y174-F186 AromaticContact CD2-CZ 3.56Å; Y174-F186 HydrophobicContact CD2-CZ 3.56Å; Y174-F186 HydrophobicContact CG-CE2 4.01Å; Y174-F186 AromaticContact CG-CZ 3.83Å; Y174-F186 HydrophobicContact CG-CZ 3.83Å; Y174-F186 CarbonylContact O-C 3.57Å; Y174-F186 VanDerWaalsContact O-CA 3.24Å; Y174-F186 WeakPolarHBondContact O-CA 3.43Å; Y174-S187 WeakPolarHBondContact CA-O 3.46Å; Y174-S187 WeakPolarHBondContact CB-O 3.37Å; Y174-S187 WeakPolarHBondContact CD1-O 3.45Å; Y174-S187 PolarHBondContact O-N 3.15Å; Y174-L188 HydrophobicContact CD1-CD2 3.83Å; Y174-L188 HydrophobicContact CD2-CD2 4.32Å; Y174-L188 HydrophobicContact CE1-CD2 3.56Å; Y174-L188 HydrophobicContact CE2-CD2 4.12Å; Y174-L188 HydrophobicContact CG-CD2 4.19Å; Y174-D192 VanDerWaalsContact CE1-OD2 3.31Å; Y174-D192 WeakPolarHBondContact CE1-OD2 3.39Å; Y174-D192 PolarHBondContact OH-OD1 3.01Å; Y174-Y251 WeakPolarHBondContact CB-OH 3.45Å; Y174-Y251 AromaticContact CD2-CE1 3.66Å; Y174-Y251 HydrophobicContact CD2-CE1 3.66Å; Y174-Y251 HydrophobicContact CD2-CE2 4.26Å; Y174-Y251 AromaticContact CD2-CZ 3.38Å; Y174-Y251 WeakPolarHBondContact CD2-OH 3.22Å; Y174-Y251 HydrophobicContact CE2-CE1 4.31Å; Y174-Y251 HydrophobicContact CG-CE2 4.46Å; Y174-Y251 AromaticContact CG-CZ 3.89Å; Y174-Y251 VanDerWaalsContact CG-OH 3.28Å; Y174-Y251 PolarHBondContact N-OH 2.82Å; Y174-F255 HydrophobicContact CD2-CD2 4.31Å; Y174-F255 HydrophobicContact CE2-CB 4.48Å; Y174-F255 AromaticContact CE2-CD2 3.45Å; Y174-F255 HydrophobicContact CE2-CD2 3.45Å; Y174-F255 VanDerWaalsContact CE2-CD2 3.45Å; Y174-F255 HydrophobicContact CE2-CE2 4.09Å; Y174-F255 HydrophobicContact CE2-CG 4.34Å
175	A	98.7	Very high	98.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.5	54.1	-174.3	0	0	0	0	0	112.3	T173 T177 L183 F186 P221 W223 Y251	T173-A175 PolarHBondContact O-N 3.44Å; T173-A175 PolarHBondContact OG1-N 3.4Å; A175-T177 PolarHBondContact O-N 3.31Å; A175-L183 HydrophobicContact CB-CD2 3.88Å; A175-F186 HydrophobicContact CB-CD2 4.49Å; A175-P221 HydrophobicContact CB-CG 3.96Å; A175-P221 WeakPolarHBondContact O-CB 3.02Å; A175-W223 PolarHBondContact O-NE1 2.9Å; A175-Y251 HydrophobicContact CB-CD2 4.26Å; A175-Y251 HydrophobicContact CB-CE2 4.05Å
176	D	98.6	Very high	98.3	Very high	74 Å²	74	59.1 Å²	59.1	40%	0.396	31%	0.305	S	S	.	.			trans	-71.8	-7.9	-177.1	-72.7	-32.7	0	0	0	114.4	T173 P178	T173-D176 WeakPolarHBondContact CB-OD1 3.21Å; T173-D176 PolarHBondContact N-OD1 2.79Å; T173-D176 PolarHBondContact N-OD2 2.85Å; T173-D176 PolarHBondContact OG1-OD1 3.35Å; D176-P178 WeakPolarHBondContact O-CD 3.49Å
177	T	98.6	Very high	98.4	Very high	61 Å²	61	59.8 Å²	59.8	37%	0.374	31%	0.314	S	S	.	.	S	Bend	trans	-65.1	119.7	172.5	-58.6	0	0	0	0	110.2	A175 D180 N185 W223	A175-T177 PolarHBondContact O-N 3.31Å; T177-D180 HydrophobicContact CG2-CB 4.47Å; T177-D180 WeakPolarHBondContact O-CB 3.41Å; T177-N185 HydrophobicContact CG2-CB 4.48Å; T177-N185 WeakPolarHBondContact OG1-CB 3.41Å; T177-W223 PolarHBondContact O-NE1 3.16Å
178	P	98.4	Very high	98.5	Very high	94 Å²	94	59.7 Å²	59.7	61%	0.61	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	140.7	-176.1	-26.1	35.3	0	0	0	113.6	D176 D180	D176-P178 WeakPolarHBondContact O-CD 3.49Å; P178-D180 PolarHBondContact O-N 3.47Å; P178-D180 VanDerWaalsContact O-N 3.14Å
179	D	98	Very high	98.5	Very high	102 Å²	102	60.1 Å²	60.1	55%	0.545	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	23.2	175.1	-57.3	-39.3	0	0	0	114.9	F181	D179-F181 HydrophobicContact CB-CD2 4.44Å; D179-F181 HydrophobicContact CB-CE2 3.98Å; D179-F181 WeakPolarHBondContact O-CD2 3.42Å; D179-F181 PolarHBondContact O-N 2.95Å
180	D	98.4	Very high	98.6	Very high	15 Å²	15	58.8 Å²	58.8	8%	0.08	31%	0.307	C	S	.	.			trans	-77.4	64.1	174.1	-178.2	22.4	0	0	0	111.8	T177 P178 Q182 L183 H184 N185 W223	T177-D180 HydrophobicContact CG2-CB 4.47Å; T177-D180 WeakPolarHBondContact O-CB 3.41Å; P178-D180 PolarHBondContact O-N 3.47Å; P178-D180 VanDerWaalsContact O-N 3.14Å; D180-Q182 PolarHBondContact O-N 2.97Å; D180-Q182 VanDerWaalsContact O-N 3.11Å; D180-L183 PolarHBondContact O-N 2.92Å; D180-L183 PolarHBondContact OD1-N 2.95Å; D180-L183 VanDerWaalsContact OD2-C 3.28Å; D180-L183 VanDerWaalsContact OD2-CA 3.25Å; D180-L183 WeakPolarHBondContact OD2-CA 3.43Å; D180-H184 PolarHBondContact OD1-N 3.14Å; D180-H184 PolarHBondContact OD2-N 2.95Å; D180-N185 WeakPolarHBondContact OD2-CB 3.24Å; D180-N185 PolarHBondContact OD2-N 3.41Å; D180-W223 HydrophobicContact CB-CZ2 4.26Å; D180-W223 WeakPolarHBondContact O-CH2 3.16Å
181	F	98.6	Very high	98.6	Very high	45 Å²	45	54.7 Å²	54.7	20%	0.197	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.4	178.7	-65.6	-77.4	0	0	0	113.2	D179 L183 W223 L224 I243 Y244 T247 R250	D179-F181 HydrophobicContact CB-CD2 4.44Å; D179-F181 HydrophobicContact CB-CE2 3.98Å; D179-F181 WeakPolarHBondContact O-CD2 3.42Å; D179-F181 PolarHBondContact O-N 2.95Å; F181-L183 VanDerWaalsContact C-N 3.33Å; F181-W223 HydrophobicContact CD1-CH2 4.39Å; F181-W223 AromaticContact CD1-CZ3 3.64Å; F181-W223 HydrophobicContact CD1-CZ3 3.64Å; F181-W223 HydrophobicContact CD2-CZ3 4.47Å; F181-W223 HydrophobicContact CE1-CE3 4.24Å; F181-W223 AromaticContact CE1-CZ3 3.68Å; F181-W223 HydrophobicContact CE1-CZ3 3.68Å; F181-W223 HydrophobicContact CE2-CZ3 4.48Å; F181-W223 HydrophobicContact CG-CZ3 4.06Å; F181-W223 HydrophobicContact CZ-CE3 4.33Å; F181-W223 HydrophobicContact CZ-CZ3 4.11Å; F181-L224 HydrophobicContact CE1-CD2 4.25Å; F181-I243 HydrophobicContact CB-CD1 3.96Å; F181-I243 HydrophobicContact CB-CG1 4.31Å; F181-I243 HydrophobicContact CD1-CD1 3.7Å; F181-I243 HydrophobicContact CD1-CG1 3.64Å; F181-I243 HydrophobicContact CD1-CG2 4.44Å; F181-I243 HydrophobicContact CD2-CD1 4.19Å; F181-I243 HydrophobicContact CE1-CD1 4.22Å; F181-I243 HydrophobicContact CE1-CG1 4.2Å; F181-I243 HydrophobicContact CE1-CG2 4.14Å; F181-I243 HydrophobicContact CG-CD1 3.68Å; F181-I243 HydrophobicContact CG-CG1 4.09Å; F181-Y244 AromaticContact CE1-CD1 3.71Å; F181-Y244 HydrophobicContact CE1-CD1 3.71Å; F181-Y244 AromaticContact CE1-CE1 3.62Å; F181-Y244 HydrophobicContact CE1-CE1 3.62Å; F181-Y244 HydrophobicContact CZ-CD1 4.25Å; F181-Y244 AromaticContact CZ-CE1 3.69Å; F181-Y244 HydrophobicContact CZ-CE1 3.69Å; F181-T247 PolarHBondContact O-OG1 2.91Å; F181-R250 PolarHBondContact O-NH2 3.28Å
182	Q	98.4	Very high	98.6	Very high	134 Å²	134	50.8 Å²	50.8	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.7	177.5	-67	-175.3	-34.7	0	0	112.9	D180 H184	D180-Q182 PolarHBondContact O-N 2.97Å; D180-Q182 VanDerWaalsContact O-N 3.11Å; Q182-H184 PolarHBondContact O-N 3.29Å; Q182-H184 PolarHBondContact OE1-CE1 2.85Å; Q182-H184 PolarHBondContact OE1-ND1 3.35Å; Q182-H184 PolarHBondContact OE1-NE2 3.27Å
183	L	98.7	Very high	98.6	Very high	4 Å²	4	53 Å²	53	2%	0.021	28%	0.283	C	S	.	.			trans	55.5	39.1	-177.4	-58.1	175.4	0	0	0	111.8	A175 D180 F181 N185 F186 T247 R250 Y251 K254	A175-L183 HydrophobicContact CB-CD2 3.88Å; D180-L183 PolarHBondContact O-N 2.92Å; D180-L183 PolarHBondContact OD1-N 2.95Å; D180-L183 VanDerWaalsContact OD2-C 3.28Å; D180-L183 VanDerWaalsContact OD2-CA 3.25Å; D180-L183 WeakPolarHBondContact OD2-CA 3.43Å; F181-L183 VanDerWaalsContact C-N 3.33Å; L183-N185 VanDerWaalsContact C-N 3.32Å; L183-F186 HydrophobicContact CB-CB 4.17Å; L183-F186 WeakPolarHBondContact O-CB 3.37Å; L183-F186 PolarHBondContact O-N 3.33Å; L183-T247 HydrophobicContact CD1-CG2 4.39Å; L183-T247 HydrophobicContact CD2-CG2 3.95Å; L183-T247 HydrophobicContact CG-CG2 4.1Å; L183-R250 HydrophobicContact CD1-CB 3.83Å; L183-Y251 HydrophobicContact CD2-CD2 4.39Å; L183-K254 HydrophobicContact CB-CG 4.39Å; L183-K254 HydrophobicContact CD1-CG 4.03Å
184	H	98.4	Very high	98.6	Very high	139 Å²	139	58 Å²	58	64%	0.644	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-30.7	176.1	-73.6	169.7	0	0	0	112.4	D180 Q182 F186	D180-H184 PolarHBondContact OD1-N 3.14Å; D180-H184 PolarHBondContact OD2-N 2.95Å; Q182-H184 PolarHBondContact O-N 3.29Å; Q182-H184 PolarHBondContact OE1-CE1 2.85Å; Q182-H184 PolarHBondContact OE1-ND1 3.35Å; Q182-H184 PolarHBondContact OE1-NE2 3.27Å; H184-F186 VanDerWaalsContact C-N 3.33Å
185	N	98.3	Very high	98.6	Very high	86 Å²	86	59.5 Å²	59.5	46%	0.46	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	10.5	178.4	-64.7	100.6	0	0	0	112.4	T177 D180 L183 S187	T177-N185 HydrophobicContact CG2-CB 4.48Å; T177-N185 WeakPolarHBondContact OG1-CB 3.41Å; D180-N185 WeakPolarHBondContact OD2-CB 3.24Å; D180-N185 PolarHBondContact OD2-N 3.41Å; L183-N185 VanDerWaalsContact C-N 3.32Å; N185-S187 PolarHBondContact O-N 3.36Å
186	F	98.9	Very high	98.6	Very high	29 Å²	29	59.5 Å²	59.5	13%	0.127	31%	0.312	C	S	.	.			trans	-60.5	123.1	173.2	-174.7	-78.4	0	0	0	110.4	Y174 A175 L183 H184 L188 Y251 K254 F255 A258	Y174-F186 VanDerWaalsContact CB-CE2 3.4Å; Y174-F186 AromaticContact CD2-CE2 3.79Å; Y174-F186 HydrophobicContact CD2-CE2 3.79Å; Y174-F186 AromaticContact CD2-CZ 3.56Å; Y174-F186 HydrophobicContact CD2-CZ 3.56Å; Y174-F186 HydrophobicContact CG-CE2 4.01Å; Y174-F186 AromaticContact CG-CZ 3.83Å; Y174-F186 HydrophobicContact CG-CZ 3.83Å; Y174-F186 CarbonylContact O-C 3.57Å; Y174-F186 VanDerWaalsContact O-CA 3.24Å; Y174-F186 WeakPolarHBondContact O-CA 3.43Å; A175-F186 HydrophobicContact CB-CD2 4.49Å; L183-F186 HydrophobicContact CB-CB 4.17Å; L183-F186 WeakPolarHBondContact O-CB 3.37Å; L183-F186 PolarHBondContact O-N 3.33Å; H184-F186 VanDerWaalsContact C-N 3.33Å; F186-L188 HydrophobicContact CE1-CD2 4.48Å; F186-Y251 AromaticContact CD2-CD2 3.85Å; F186-Y251 HydrophobicContact CD2-CD2 3.85Å; F186-Y251 HydrophobicContact CD2-CE2 4Å; F186-Y251 HydrophobicContact CD2-CG 4.45Å; F186-Y251 HydrophobicContact CE2-CD1 4.25Å; F186-Y251 AromaticContact CE2-CD2 3.69Å; F186-Y251 HydrophobicContact CE2-CD2 3.69Å; F186-Y251 HydrophobicContact CE2-CE1 4.25Å; F186-Y251 AromaticContact CE2-CE2 3.71Å; F186-Y251 HydrophobicContact CE2-CE2 3.71Å; F186-Y251 AromaticContact CE2-CG 3.98Å; F186-Y251 HydrophobicContact CE2-CG 3.98Å; F186-K254 HydrophobicContact CD1-CB 3.85Å; F186-K254 HydrophobicContact CD2-CB 3.67Å; F186-K254 HydrophobicContact CD2-CG 4.37Å; F186-K254 HydrophobicContact CE1-CB 3.88Å; F186-K254 WeakPolarHBondContact CE1-O 3Å; F186-K254 HydrophobicContact CE2-CB 3.66Å; F186-K254 HydrophobicContact CG-CB 3.77Å; F186-K254 HydrophobicContact CG-CG 4.3Å; F186-K254 HydrophobicContact CZ-CB 3.79Å; F186-F255 HydrophobicContact CZ-CB 4.03Å; F186-F255 VanDerWaalsContact CZ-N 3.34Å; F186-A258 HydrophobicContact CE1-CB 4.11Å
187	S	98.8	Very high	98.6	Very high	72 Å²	72	56.2 Å²	56.2	50%	0.503	29%	0.294	S	S	.	.			trans	-154.5	150.4	174.9	56.7	0	0	0	0	112.4	Y174 N185	Y174-S187 WeakPolarHBondContact CA-O 3.46Å; Y174-S187 WeakPolarHBondContact CB-O 3.37Å; Y174-S187 WeakPolarHBondContact CD1-O 3.45Å; Y174-S187 PolarHBondContact O-N 3.15Å; N185-S187 PolarHBondContact O-N 3.36Å
188	L	98.9	Very high	98.6	Very high	26 Å²	26	55.7 Å²	55.7	14%	0.136	29%	0.292	C	S	.	.			trans	-82.5	124.4	170.5	-61.4	-176.3	0	0	0	109.4	Y174 F186 D192 T193 I197 A258 Y259	Y174-L188 HydrophobicContact CD1-CD2 3.83Å; Y174-L188 HydrophobicContact CD2-CD2 4.32Å; Y174-L188 HydrophobicContact CE1-CD2 3.56Å; Y174-L188 HydrophobicContact CE2-CD2 4.12Å; Y174-L188 HydrophobicContact CG-CD2 4.19Å; F186-L188 HydrophobicContact CE1-CD2 4.48Å; L188-D192 HydrophobicContact CB-CB 4.02Å; L188-D192 HydrophobicContact CD1-CB 4.37Å; L188-D192 HydrophobicContact CD2-CB 4.5Å; L188-T193 HydrophobicContact CB-CG2 3.84Å; L188-I197 HydrophobicContact CD1-CD1 3.89Å; L188-A258 HydrophobicContact CD1-CB 3.66Å; L188-A258 HydrophobicContact CD2-CB 4.22Å; L188-A258 HydrophobicContact CG-CB 3.76Å; L188-Y259 HydrophobicContact CD1-CD2 3.78Å; L188-Y259 HydrophobicContact CD1-CE2 3.79Å; L188-Y259 HydrophobicContact CD2-CD2 4.29Å; L188-Y259 HydrophobicContact CD2-CE2 3.95Å
189	P	98.8	Very high	98.6	Very high	30 Å²	30	51.2 Å²	51.2	20%	0.195	26%	0.263	C	S	.	.			trans	-76.1	-170.9	176.7	34.5	-40	0	0	0	112.7	Y172 E191 D192 T193	Y172-P189 HydrophobicContact CD2-CG 3.73Å; Y172-P189 HydrophobicContact CE2-CG 3.47Å; Y172-P189 VanDerWaalsContact CE2-CG 3.47Å; P189-E191 VanDerWaalsContact C-N 3.29Å; P189-E191 WeakPolarHBondContact CB-OE2 3.25Å; P189-E191 HydrophobicContact CG-CB 4.48Å; P189-E191 PolarHBondContact O-N 3.25Å; P189-D192 VanDerWaalsContact CD-OD2 3.23Å; P189-D192 WeakPolarHBondContact CD-OD2 3.29Å; P189-D192 WeakPolarHBondContact CG-OD2 3.5Å; P189-D192 PolarHBondContact O-N 3.29Å; P189-T193 WeakPolarHBondContact O-CG2 3.41Å; P189-T193 PolarHBondContact O-N 2.93Å; P189-T193 PolarHBondContact O-OG1 2.95Å
190	E	98.7	Very high	98.7	Very high	114 Å²	114	46.4 Å²	46.4	53%	0.533	24%	0.237	S	C	.	.	H	α-helix	trans	-69.4	-28.3	-178.4	-62.8	-160.2	170.7	0	0	112.8	D192 T193 K194 L195	E190-D192 VanDerWaalsContact C-N 3.34Å; E190-D192 PolarHBondContact O-N 3.47Å; E190-T193 WeakPolarHBondContact CA-OG1 3.29Å; E190-T193 PolarHBondContact O-N 3.02Å; E190-K194 HydrophobicContact CB-CD 4.15Å; E190-K194 HydrophobicContact CB-CG 4.31Å; E190-K194 VanDerWaalsContact CD-CE 3.41Å; E190-K194 HydrophobicContact CG-CD 4.14Å; E190-K194 WeakPolarHBondContact O-CA 3.27Å; E190-K194 VanDerWaalsContact O-CB 3.31Å; E190-K194 WeakPolarHBondContact O-CB 3.5Å; E190-K194 PolarHBondContact O-N 3.08Å; E190-K194 WeakPolarHBondContact OE1-CE 3.44Å; E190-K194 IonicContact OE1-NZ 2.87Å; E190-K194 PolarHBondContact OE1-NZ 3.46Å; E190-K194 WeakPolarHBondContact OE2-CD 3.23Å; E190-K194 WeakPolarHBondContact OE2-CE 3.16Å; E190-K194 IonicContact OE2-NZ 3.67Å; E190-K194 PolarHBondContact OE2-NZ 3.06Å; E190-L195 PolarHBondContact O-N 3.48Å
191	E	98.7	Very high	98.7	Very high	27 Å²	27	48 Å²	48	13%	0.126	24%	0.244	C	C	.	.	I	π-helix	trans	-52	-51.7	173.1	-68.8	88.7	160	0	0	110.7	R170 Y172 P189 L195 E196	R170-E191 IonicContact CZ-OE1 3.73Å; R170-E191 IonicContact NE-OE1 2.68Å; R170-E191 PolarHBondContact NE-OE1 3.4Å; R170-E191 VanDerWaalsContact NH2-CD 3.33Å; R170-E191 IonicContact NH2-OE1 3.94Å; R170-E191 PolarHBondContact NH2-OE1 3.1Å; R170-E191 IonicContact NH2-OE2 3.76Å; R170-E191 PolarHBondContact NH2-OE2 3.46Å; Y172-E191 HydrophobicContact CE1-CB 4.21Å; Y172-E191 HydrophobicContact CE1-CG 3.75Å; Y172-E191 WeakPolarHBondContact OH-CB 3.5Å; P189-E191 VanDerWaalsContact C-N 3.29Å; P189-E191 WeakPolarHBondContact CB-OE2 3.25Å; P189-E191 HydrophobicContact CG-CB 4.48Å; P189-E191 PolarHBondContact O-N 3.25Å; E191-L195 WeakPolarHBondContact O-CA 3.32Å; E191-L195 WeakPolarHBondContact O-CB 3.27Å; E191-L195 PolarHBondContact O-N 3.14Å; E191-E196 PolarHBondContact O-N 3.12Å
192	D	98.8	Very high	98.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-71.3	-55.9	173.8	-55.8	-114.5	0	0	0	112.3	Y174 L188 P189 E190 K194 E196 I197 Y259	Y174-D192 VanDerWaalsContact CE1-OD2 3.31Å; Y174-D192 WeakPolarHBondContact CE1-OD2 3.39Å; Y174-D192 PolarHBondContact OH-OD1 3.01Å; L188-D192 HydrophobicContact CB-CB 4.02Å; L188-D192 HydrophobicContact CD1-CB 4.37Å; L188-D192 HydrophobicContact CD2-CB 4.5Å; P189-D192 VanDerWaalsContact CD-OD2 3.23Å; P189-D192 WeakPolarHBondContact CD-OD2 3.29Å; P189-D192 WeakPolarHBondContact CG-OD2 3.5Å; P189-D192 PolarHBondContact O-N 3.29Å; E190-D192 VanDerWaalsContact C-N 3.34Å; E190-D192 PolarHBondContact O-N 3.47Å; D192-K194 PolarHBondContact O-N 3.48Å; D192-E196 WeakPolarHBondContact CA-OE2 3.38Å; D192-E196 PolarHBondContact O-N 2.79Å; D192-I197 HydrophobicContact CB-CD1 4.15Å; D192-I197 HydrophobicContact CB-CG1 4.5Å; D192-I197 VanDerWaalsContact O-CB 3.23Å; D192-I197 WeakPolarHBondContact O-CB 3.45Å; D192-I197 WeakPolarHBondContact O-CG1 3.49Å; D192-I197 PolarHBondContact O-N 3.4Å; D192-Y259 WeakPolarHBondContact OD1-CE2 3.48Å; D192-Y259 PolarHBondContact OD1-OH 3.43Å
193	T	98.8	Very high	98.7	Very high	48 Å²	48	42 Å²	42	29%	0.294	21%	0.214	S	C	.	.	I	π-helix	trans	-74.2	-25.1	-163.9	56.3	0	0	0	0	113.9	L188 P189 E190 P198	L188-T193 HydrophobicContact CB-CG2 3.84Å; P189-T193 WeakPolarHBondContact O-CG2 3.41Å; P189-T193 PolarHBondContact O-N 2.93Å; P189-T193 PolarHBondContact O-OG1 2.95Å; E190-T193 WeakPolarHBondContact CA-OG1 3.29Å; E190-T193 PolarHBondContact O-N 3.02Å; T193-P198 WeakPolarHBondContact O-CG 3.25Å
194	K	98.5	Very high	98.7	Very high	115 Å²	115	44.5 Å²	44.5	50%	0.5	23%	0.228	S	C	.	.	I	π-helix	trans	-112.6	-22	-179.7	-58.2	-171.7	-172.7	169	0	113.7	E190 D192	E190-K194 HydrophobicContact CB-CD 4.15Å; E190-K194 HydrophobicContact CB-CG 4.31Å; E190-K194 VanDerWaalsContact CD-CE 3.41Å; E190-K194 HydrophobicContact CG-CD 4.14Å; E190-K194 WeakPolarHBondContact O-CA 3.27Å; E190-K194 VanDerWaalsContact O-CB 3.31Å; E190-K194 WeakPolarHBondContact O-CB 3.5Å; E190-K194 PolarHBondContact O-N 3.08Å; E190-K194 WeakPolarHBondContact OE1-CE 3.44Å; E190-K194 IonicContact OE1-NZ 2.87Å; E190-K194 PolarHBondContact OE1-NZ 3.46Å; E190-K194 WeakPolarHBondContact OE2-CD 3.23Å; E190-K194 WeakPolarHBondContact OE2-CE 3.16Å; E190-K194 IonicContact OE2-NZ 3.67Å; E190-K194 PolarHBondContact OE2-NZ 3.06Å; D192-K194 PolarHBondContact O-N 3.48Å
195	L	98.5	Very high	98.7	Very high	35 Å²	35	45.1 Å²	45.1	18%	0.183	23%	0.231	C	C	.	.	I	π-helix	trans	-107.9	-68.6	-179	-38.9	177.9	0	0	0	112.1	A129 L130 L133 E190 E191 L199	A129-L195 HydrophobicContact CB-CB 3.78Å; L130-L195 HydrophobicContact CD2-CD1 3.73Å; L130-L195 HydrophobicContact CG-CD1 4.01Å; L133-L195 HydrophobicContact CD1-CB 3.89Å; L133-L195 HydrophobicContact CD1-CD2 3.53Å; L133-L195 HydrophobicContact CD1-CG 4.32Å; E190-L195 PolarHBondContact O-N 3.48Å; E191-L195 WeakPolarHBondContact O-CA 3.32Å; E191-L195 WeakPolarHBondContact O-CB 3.27Å; E191-L195 PolarHBondContact O-N 3.14Å; L195-L199 WeakPolarHBondContact O-CB 3.32Å; L195-L199 VanDerWaalsContact O-CG 3.29Å; L195-L199 WeakPolarHBondContact O-CG 3.48Å; L195-L199 PolarHBondContact O-N 3.34Å
196	E	98.6	Very high	98.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-69.7	-53.5	-169.7	-62.1	170.9	100.9	0	0	112.1	M124 A129 E191 D192 L199 I200	M124-E196 HydrophobicContact CG-CB 4.22Å; M124-E196 HydrophobicContact CG-CG 4.27Å; A129-E196 HydrophobicContact CB-CG 4.35Å; E191-E196 PolarHBondContact O-N 3.12Å; D192-E196 WeakPolarHBondContact CA-OE2 3.38Å; D192-E196 PolarHBondContact O-N 2.79Å; E196-L199 PolarHBondContact O-N 2.83Å; E196-L199 VanDerWaalsContact O-N 3.16Å; E196-I200 HydrophobicContact CB-CD1 4.43Å; E196-I200 VanDerWaalsContact O-CG1 3.24Å; E196-I200 WeakPolarHBondContact O-CG1 3.44Å; E196-I200 PolarHBondContact O-N 3.26Å
197	I	98.9	Very high	98.6	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-59.1	-48.7	-176.1	-69.1	173	0	0	0	111.7	L188 D192 L199 I200 H201 Y259 H262 L264	L188-I197 HydrophobicContact CD1-CD1 3.89Å; D192-I197 HydrophobicContact CB-CD1 4.15Å; D192-I197 HydrophobicContact CB-CG1 4.5Å; D192-I197 VanDerWaalsContact O-CB 3.23Å; D192-I197 WeakPolarHBondContact O-CB 3.45Å; D192-I197 WeakPolarHBondContact O-CG1 3.49Å; D192-I197 PolarHBondContact O-N 3.4Å; I197-L199 VanDerWaalsContact C-N 3.32Å; I197-L199 PolarHBondContact O-N 2.94Å; I197-I200 PolarHBondContact O-N 3.03Å; I197-H201 PolarHBondContact O-CD2 3.38Å; I197-H201 VanDerWaalsContact O-CD2 3.28Å; I197-H201 PolarHBondContact O-N 3.37Å; I197-Y259 HydrophobicContact CD1-CD1 4.43Å; I197-Y259 HydrophobicContact CD1-CE1 4.15Å; I197-Y259 HydrophobicContact CD1-CE2 4.25Å; I197-Y259 HydrophobicContact CG1-CD1 4.23Å; I197-Y259 HydrophobicContact CG1-CE1 3.69Å; I197-H262 HydrophobicContact CD1-CB 4.1Å; I197-H262 HydrophobicContact CG2-CB 3.85Å; I197-L264 HydrophobicContact CB-CD1 4.3Å; I197-L264 HydrophobicContact CG1-CD1 4.08Å; I197-L264 HydrophobicContact CG2-CD1 3.97Å
198	P	98.8	Very high	98.5	Very high	50 Å²	50	47.1 Å²	47.1	33%	0.325	23%	0.234	S	C	.	.	H	α-helix	trans	-61.9	-36.6	176.9	-25.9	37.3	0	0	0	113.6	T193 R202	T193-P198 WeakPolarHBondContact O-CG 3.25Å; P198-R202 WeakPolarHBondContact O-CD 3.35Å; P198-R202 VanDerWaalsContact O-CG 3.29Å; P198-R202 WeakPolarHBondContact O-CG 3.17Å; P198-R202 PolarHBondContact O-N 3.11Å; P198-R202 VanDerWaalsContact O-N 3.13Å
199	L	98.8	Very high	98.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.5	-39.8	176.8	-75.2	175.6	0	0	0	112.4	M124 A129 I132 L133 L144 L195 E196 I197 R202 A203	M124-L199 HydrophobicContact CE-CB 3.97Å; M124-L199 HydrophobicContact SD-CB 4.05Å; M124-L199 HydrophobicContact SD-CD1 3.86Å; A129-L199 VanDerWaalsContact CA-CD1 3.48Å; A129-L199 HydrophobicContact CB-CD1 3.64Å; I132-L199 HydrophobicContact CB-CD1 4.25Å; I132-L199 HydrophobicContact CD1-CD1 4.43Å; I132-L199 HydrophobicContact CG2-CD1 4.3Å; I132-L199 HydrophobicContact CG2-CD2 3.74Å; L133-L199 HydrophobicContact CD1-CD1 4.11Å; L133-L199 HydrophobicContact CD1-CG 4.43Å; L133-L199 HydrophobicContact CD2-CD2 4.08Å; L133-L199 HydrophobicContact CD2-CG 4.36Å; L133-L199 HydrophobicContact CG-CD1 4.05Å; L133-L199 HydrophobicContact CG-CD2 4.37Å; L133-L199 HydrophobicContact CG-CG 4.34Å; L144-L199 HydrophobicContact CD1-CD2 4.17Å; L195-L199 WeakPolarHBondContact O-CB 3.32Å; L195-L199 VanDerWaalsContact O-CG 3.29Å; L195-L199 WeakPolarHBondContact O-CG 3.48Å; L195-L199 PolarHBondContact O-N 3.34Å; E196-L199 PolarHBondContact O-N 2.83Å; E196-L199 VanDerWaalsContact O-N 3.16Å; I197-L199 VanDerWaalsContact C-N 3.32Å; I197-L199 PolarHBondContact O-N 2.94Å; L199-R202 PolarHBondContact O-N 3.07Å; L199-A203 WeakPolarHBondContact O-CB 3.19Å; L199-A203 PolarHBondContact O-N 3.42Å
200	I	98.9	Very high	98.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-49.2	174.3	-67.5	162.9	0	0	0	109.1	M124 I158 V160 E196 I197 R202 A203 L204 L213 Y259 L264	M124-I200 HydrophobicContact CB-CG1 4.44Å; M124-I200 HydrophobicContact CG-CG1 4.2Å; I158-I200 HydrophobicContact CD1-CG2 4.43Å; I158-I200 HydrophobicContact CG2-CG1 4.47Å; V160-I200 HydrophobicContact CG1-CD1 4.34Å; V160-I200 HydrophobicContact CG2-CD1 3.73Å; E196-I200 HydrophobicContact CB-CD1 4.43Å; E196-I200 VanDerWaalsContact O-CG1 3.24Å; E196-I200 WeakPolarHBondContact O-CG1 3.44Å; E196-I200 PolarHBondContact O-N 3.26Å; I197-I200 PolarHBondContact O-N 3.03Å; I200-R202 VanDerWaalsContact C-N 3.3Å; I200-R202 PolarHBondContact O-N 3.38Å; I200-A203 WeakPolarHBondContact O-CB 3.12Å; I200-A203 PolarHBondContact O-N 3.24Å; I200-A203 VanDerWaalsContact O-N 3.08Å; I200-L204 HydrophobicContact CG2-CD1 4.29Å; I200-L204 HydrophobicContact CG2-CG 4.22Å; I200-L204 VanDerWaalsContact O-CG 3.3Å; I200-L204 WeakPolarHBondContact O-CG 3.29Å; I200-L204 PolarHBondContact O-N 3.05Å; I200-L213 HydrophobicContact CG2-CD1 4.1Å; I200-L213 HydrophobicContact CG2-CD2 3.85Å; I200-Y259 HydrophobicContact CD1-CE1 4.38Å; I200-L264 HydrophobicContact CB-CD1 4.19Å; I200-L264 HydrophobicContact CD1-CD1 4.35Å; I200-L264 HydrophobicContact CG2-CD1 3.91Å; I200-L264 HydrophobicContact CG2-CD2 3.69Å; I200-L264 HydrophobicContact CG2-CG 4.46Å
201	H	98.9	Very high	98.4	Very high	50 Å²	50	51 Å²	51	23%	0.231	26%	0.256	C	S	.	.	H	α-helix	trans	-55.3	-43.7	175.9	-85.1	-62.1	0	0	0	113	I197 L204 Q205 H262	I197-H201 PolarHBondContact O-CD2 3.38Å; I197-H201 VanDerWaalsContact O-CD2 3.28Å; I197-H201 PolarHBondContact O-N 3.37Å; H201-L204 PolarHBondContact O-N 3Å; H201-Q205 WeakPolarHBondContact O-CB 3.43Å; H201-Q205 WeakPolarHBondContact O-CG 3.37Å; H201-Q205 PolarHBondContact O-N 3.18Å; H201-H262 PolarHBondContact CE1-O 3.07Å; H201-H262 PolarHBondContact NE2-O 2.93Å
202	R	98.8	Very high	98.4	Very high	52 Å²	52	50.5 Å²	50.5	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-40.4	176.9	-70.6	165.6	63.4	-172.9	5.5	112.1	Q140 N141 L144 P198 L199 I200 Q205 L206	Q140-R202 VanDerWaalsContact OE1-NH2 3.07Å; N141-R202 PolarHBondContact OD1-NH2 2.93Å; L144-R202 HydrophobicContact CD1-CB 3.82Å; P198-R202 WeakPolarHBondContact O-CD 3.35Å; P198-R202 VanDerWaalsContact O-CG 3.29Å; P198-R202 WeakPolarHBondContact O-CG 3.17Å; P198-R202 PolarHBondContact O-N 3.11Å; P198-R202 VanDerWaalsContact O-N 3.13Å; L199-R202 PolarHBondContact O-N 3.07Å; I200-R202 VanDerWaalsContact C-N 3.3Å; I200-R202 PolarHBondContact O-N 3.38Å; R202-Q205 PolarHBondContact O-N 3.02Å; R202-L206 VanDerWaalsContact O-CG 3.31Å; R202-L206 WeakPolarHBondContact O-CG 3.32Å; R202-L206 PolarHBondContact O-N 3.15Å
203	A	98.6	Very high	98.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-46.5	174.8	0	0	0	0	0	111.5	F148 I158 L199 I200 Q205 L206 A207	F148-A203 HydrophobicContact CD1-CB 4.11Å; F148-A203 HydrophobicContact CD2-CB 3.46Å; F148-A203 VanDerWaalsContact CD2-CB 3.46Å; F148-A203 HydrophobicContact CE1-CB 4.14Å; F148-A203 HydrophobicContact CE2-CB 3.5Å; F148-A203 HydrophobicContact CG-CB 3.79Å; F148-A203 HydrophobicContact CZ-CB 3.86Å; I158-A203 HydrophobicContact CD1-CB 3.93Å; L199-A203 WeakPolarHBondContact O-CB 3.19Å; L199-A203 PolarHBondContact O-N 3.42Å; I200-A203 WeakPolarHBondContact O-CB 3.12Å; I200-A203 PolarHBondContact O-N 3.24Å; I200-A203 VanDerWaalsContact O-N 3.08Å; A203-Q205 VanDerWaalsContact C-N 3.31Å; A203-Q205 PolarHBondContact O-N 2.95Å; A203-L206 PolarHBondContact O-N 2.83Å; A203-A207 PolarHBondContact O-N 2.95Å; A203-A207 VanDerWaalsContact O-N 3.1Å
204	L	98.4	Very high	98.4	Very high	57 Å²	57	48.4 Å²	48.4	30%	0.298	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-39.2	176.8	-63.1	-170.5	0	0	0	112.4	I200 H201 L206 A207 V211 L264	I200-L204 HydrophobicContact CG2-CD1 4.29Å; I200-L204 HydrophobicContact CG2-CG 4.22Å; I200-L204 VanDerWaalsContact O-CG 3.3Å; I200-L204 WeakPolarHBondContact O-CG 3.29Å; I200-L204 PolarHBondContact O-N 3.05Å; H201-L204 PolarHBondContact O-N 3Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-A207 PolarHBondContact O-N 2.87Å; L204-V211 HydrophobicContact CD2-CB 3.35Å; L204-V211 HydrophobicContact CD2-CG1 3.78Å; L204-V211 HydrophobicContact CD2-CG2 3.79Å; L204-L264 HydrophobicContact CD1-CD2 3.65Å
205	Q	98.6	Very high	98.4	Very high	152 Å²	152	42.9 Å²	42.9	71%	0.71	22%	0.218	S	C	*	.	H	α-helix	trans	-69.7	-28.8	179	-73	167	14	0	0	113.3	H201 R202 A203	H201-Q205 WeakPolarHBondContact O-CB 3.43Å; H201-Q205 WeakPolarHBondContact O-CG 3.37Å; H201-Q205 PolarHBondContact O-N 3.18Å; R202-Q205 PolarHBondContact O-N 3.02Å; A203-Q205 VanDerWaalsContact C-N 3.31Å; A203-Q205 PolarHBondContact O-N 2.95Å
206	L	98.1	Very high	98.4	Very high	49 Å²	49	41.2 Å²	41.2	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-82.9	-24.6	177.8	-70	170	0	0	0	112.6	L144 K145 F148 R202 A203 L204	L144-L206 HydrophobicContact CB-CD1 3.53Å; K145-L206 HydrophobicContact CG-CD1 4.19Å; K145-L206 HydrophobicContact CG-CD2 3.91Å; F148-L206 HydrophobicContact CB-CB 4.5Å; R202-L206 VanDerWaalsContact O-CG 3.31Å; R202-L206 WeakPolarHBondContact O-CG 3.32Å; R202-L206 PolarHBondContact O-N 3.15Å; A203-L206 PolarHBondContact O-N 2.83Å; L204-L206 VanDerWaalsContact C-N 3.33Å
207	A	97.8	Very high	98.5	Very high	17 Å²	17	41.2 Å²	41.2	14%	0.14	21%	0.21	C	C	.	.			trans	-78.9	131.8	-178.8	0	0	0	0	0	111.8	F148 A203 L204 V211	F148-A207 HydrophobicContact CB-CB 4.41Å; F148-A207 WeakPolarHBondContact O-CA 3.46Å; A203-A207 PolarHBondContact O-N 2.95Å; A203-A207 VanDerWaalsContact O-N 3.1Å; L204-A207 PolarHBondContact O-N 2.87Å; A207-V211 HydrophobicContact CB-CG2 3.5Å; A207-V211 VanDerWaalsContact CB-CG2 3.5Å
208	Q	95.9	Very high	98.4	Very high	162 Å²	162	41.1 Å²	41.1	76%	0.757	21%	0.209	S	C	*	.	S	Bend	trans	-85.8	-27.2	166.5	-65	-171.2	14	0	0	111.8	E150	E150-Q208 HydrophobicContact CG-CB 4.02Å; E150-Q208 HydrophobicContact CG-CG 4.07Å
209	R	96.6	Very high	98.4	Very high	110 Å²	110	39 Å²	39	42%	0.415	20%	0.195	S	C	.	.	S	Bend	trans	-80.8	140.4	174.8	-63.8	172.4	-161.8	-176.9	1.4	109.6	E150 G154 N156 V211	E150-R209 WeakPolarHBondContact OE1-CG 3.32Å; E150-R209 IonicContact OE1-CZ 3.05Å; E150-R209 IonicContact OE1-NE 2.79Å; E150-R209 PolarHBondContact OE1-NE 3.49Å; E150-R209 IonicContact OE1-NH2 3.41Å; E150-R209 IonicContact OE2-CZ 3.61Å; E150-R209 IonicContact OE2-NE 3.19Å; E150-R209 IonicContact OE2-NH2 3.84Å; E150-R209 PolarHBondContact OE2-NH2 2.83Å; G154-R209 PolarHBondContact O-NH1 2.96Å; N156-R209 HydrophobicContact CB-CB 4.34Å; R209-V211 PolarHBondContact O-N 3.32Å; R209-V211 VanDerWaalsContact O-N 3.12Å
210	P	98.1	Very high	98.4	Very high	116 Å²	116	39 Å²	39	75%	0.753	20%	0.195	S	C	*	.	P	Polyproline II helix	trans	-57.9	119.2	169.9	-22.9	33.2	0	0	0	110.6
211	V	98.8	Very high	98.4	Very high	26 Å²	26	39 Å²	39	16%	0.158	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-88.9	133.9	177.1	-178.1	0	0	0	0	109.1	N156 I158 L204 A207 R209	N156-V211 CarbonylContact O-C 3.47Å; N156-V211 WeakPolarHBondContact O-CA 3.3Å; I158-V211 HydrophobicContact CD1-CG1 3.9Å; I158-V211 HydrophobicContact CG1-CG1 3.81Å; L204-V211 HydrophobicContact CD2-CB 3.35Å; L204-V211 HydrophobicContact CD2-CG1 3.78Å; L204-V211 HydrophobicContact CD2-CG2 3.79Å; A207-V211 HydrophobicContact CB-CG2 3.5Å; A207-V211 VanDerWaalsContact CB-CG2 3.5Å; R209-V211 PolarHBondContact O-N 3.32Å; R209-V211 VanDerWaalsContact O-N 3.12Å
212	S	98.9	Very high	98.4	Very high	17 Å²	17	38.7 Å²	38.7	12%	0.119	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.9	177.6	-64.8	0	0	0	0	110.6	K118 N156 I157 I158	K118-S212 WeakPolarHBondContact CE-OG 3.34Å; K118-S212 PolarHBondContact NZ-OG 2.89Å; N156-S212 PolarHBondContact O-N 3.25Å; I157-S212 VanDerWaalsContact CA-O 3.3Å; I157-S212 WeakPolarHBondContact CA-O 3.22Å; I158-S212 PolarHBondContact N-O 3.4Å
213	L	98.9	Very high	98.4	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.6	173.5	-48.8	-179	0	0	0	110.3	I158 I200 L264 F266 W267 A268	I158-L213 HydrophobicContact CB-CD2 3.82Å; I158-L213 HydrophobicContact CD1-CD2 4.2Å; I158-L213 HydrophobicContact CG1-CD2 4.38Å; I158-L213 WeakPolarHBondContact O-CA 3.49Å; I200-L213 HydrophobicContact CG2-CD1 4.1Å; I200-L213 HydrophobicContact CG2-CD2 3.85Å; L213-L264 HydrophobicContact CD1-CB 3.99Å; L213-L264 HydrophobicContact CD1-CD2 4.26Å; L213-F266 HydrophobicContact CB-CD1 3.57Å; L213-F266 HydrophobicContact CB-CE1 3.7Å; L213-F266 HydrophobicContact CB-CG 4.16Å; L213-F266 HydrophobicContact CB-CZ 4.38Å; L213-F266 HydrophobicContact CD1-CZ 4.48Å; L213-W267 WeakPolarHBondContact O-CB 3.37Å; L213-W267 PolarHBondContact O-N 3.42Å; L213-A268 PolarHBondContact O-N 3.31Å
214	L	98.9	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.3	174.6	170.3	64.9	0	0	0	108.4	I158 R159 V160 A268 T270 L318 F376	I158-L214 PolarHBondContact O-N 2.62Å; R159-L214 CarbonylContact C-O 3.49Å; R159-L214 WeakPolarHBondContact CA-O 3.18Å; R159-L214 HydrophobicContact CG-CD2 4.3Å; R159-L214 HydrophobicContact CG-CG 4.31Å; V160-L214 PolarHBondContact N-O 3.02Å; L214-A268 CarbonylContact C-O 3.57Å; L214-A268 WeakPolarHBondContact CA-O 3.44Å; L214-A268 HydrophobicContact CD1-CB 3.7Å; L214-T270 HydrophobicContact CD1-CG2 3.85Å; L214-T270 HydrophobicContact CG-CG2 4.46Å; L214-L318 HydrophobicContact CD1-CD1 3.98Å; L214-F376 HydrophobicContact CD2-CD1 4.38Å; L214-F376 HydrophobicContact CD2-CE1 3.7Å
215	A	98.9	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	146.8	177.4	0	0	0	0	0	113	V160 M162 F255 F266 A268 V269 T270	V160-A215 VanDerWaalsContact O-CA 3.29Å; V160-A215 WeakPolarHBondContact O-CA 3.27Å; M162-A215 HydrophobicContact CG-CB 3.9Å; M162-A215 HydrophobicContact SD-CB 4.05Å; A215-F255 HydrophobicContact CB-CD1 4.47Å; A215-F255 HydrophobicContact CB-CE1 3.41Å; A215-F255 VanDerWaalsContact CB-CE1 3.41Å; A215-F255 HydrophobicContact CB-CZ 3.71Å; A215-F266 HydrophobicContact CB-CD1 3.62Å; A215-F266 HydrophobicContact CB-CE1 3.36Å; A215-F266 HydrophobicContact CB-CG 4.49Å; A215-F266 HydrophobicContact CB-CZ 4.06Å; A215-A268 PolarHBondContact N-O 2.97Å; A215-V269 HydrophobicContact CB-CG1 3.9Å; A215-V269 CarbonylContact O-C 3.04Å; A215-V269 WeakPolarHBondContact O-CA 3.44Å; A215-T270 PolarHBondContact O-N 3.12Å
216	S	98.9	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	130	178.2	-59.7	0	0	0	0	109.8	R159 V160 M162 W218 T270 D321	R159-S216 PolarHBondContact NE-OG 3.08Å; R159-S216 PolarHBondContact NH2-OG 3.13Å; R159-S216 VanDerWaalsContact NH2-OG 3.14Å; V160-S216 PolarHBondContact O-N 3Å; M162-S216 PolarHBondContact N-O 2.96Å; S216-W218 WeakPolarHBondContact O-CZ3 3.09Å; S216-T270 WeakPolarHBondContact CB-OG1 3.14Å; S216-T270 WeakPolarHBondContact OG-CG2 3.48Å; S216-T270 PolarHBondContact OG-OG1 2.85Å; S216-D321 PolarHBondContact OG-OD2 3.29Å
217	P	98.9	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	150.4	170	33.1	-30.2	0	0	0	111.7	M162 W248 F252 N273	M162-P217 HydrophobicContact CB-CB 4Å; M162-P217 HydrophobicContact CE-CB 4.38Å; M162-P217 HydrophobicContact SD-CB 4.15Å; M162-P217 HydrophobicContact SD-CG 4.14Å; P217-W248 HydrophobicContact CB-CH2 3.8Å; P217-W248 HydrophobicContact CB-CZ2 3.69Å; P217-W248 HydrophobicContact CG-CH2 4.35Å; P217-W248 HydrophobicContact CG-CZ2 3.77Å; P217-F252 HydrophobicContact CG-CE1 4.09Å; P217-F252 HydrophobicContact CG-CE2 4.26Å; P217-F252 HydrophobicContact CG-CZ 3.54Å; P217-N273 WeakPolarHBondContact O-CB 3.39Å; P217-N273 PolarHBondContact O-N 3.2Å
218	W	98.8	Very high	98.5	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.011	18%	0.184	C	C	.	.	S	Bend	trans	-101	-32.1	170.7	-83.8	-103.9	0	0	0	113.1	P161 C165 S216 E272 N273 Q286 C287 L288 W420	P161-W218 VanDerWaalsContact CA-CZ3 3.5Å; P161-W218 HydrophobicContact CB-CE3 3.85Å; P161-W218 HydrophobicContact CB-CH2 4.02Å; P161-W218 HydrophobicContact CB-CZ3 3.31Å; P161-W218 HydrophobicContact CG-CH2 3.85Å; P161-W218 HydrophobicContact CG-CZ3 3.68Å; C165-W218 HydrophobicContact CB-CD2 3.37Å; C165-W218 VanDerWaalsContact CB-CE2 3.41Å; C165-W218 HydrophobicContact CB-CE3 3.82Å; C165-W218 HydrophobicContact CB-CG 3.75Å; C165-W218 HydrophobicContact CB-CH2 4.41Å; C165-W218 HydrophobicContact CB-CZ2 3.97Å; C165-W218 HydrophobicContact CB-CZ3 4.33Å; S216-W218 WeakPolarHBondContact O-CZ3 3.09Å; W218-E272 VanDerWaalsContact C-OE1 3.29Å; W218-N273 HydrophobicContact CD2-CB 4.07Å; W218-N273 HydrophobicContact CE3-CB 4.47Å; W218-N273 HydrophobicContact CG-CB 4.28Å; W218-N273 HydrophobicContact CZ2-CB 4.32Å; W218-N273 WeakPolarHBondContact CZ2-OD1 3.3Å; W218-N273 PolarHBondContact NE1-ND2 2.67Å; W218-N273 VanDerWaalsContact NE1-ND2 3.15Å; W218-Q286 HydrophobicContact CB-CB 3.69Å; W218-Q286 HydrophobicContact CG-CB 4.47Å; W218-Q286 CarbonylContact O-C 3.57Å; W218-C287 CarbonylContact O-C 3.46Å; W218-C287 WeakPolarHBondContact O-CA 3.14Å; W218-C287 PolarHBondContact O-N 3Å; W218-C287 VanDerWaalsContact O-N 3.13Å; W218-L288 PolarHBondContact O-N 2.81Å; W218-L288 VanDerWaalsContact O-N 3.13Å; W218-W420 AromaticContact CH2-CH2 3.23Å; W218-W420 HydrophobicContact CH2-CH2 3.23Å; W218-W420 HydrophobicContact CH2-CZ2 4.16Å; W218-W420 AromaticContact CH2-CZ3 3.85Å; W218-W420 HydrophobicContact CH2-CZ3 3.85Å; W218-W420 AromaticContact CZ2-CH2 3.04Å; W218-W420 HydrophobicContact CZ2-CH2 3.04Å; W218-W420 AromaticContact CZ2-CZ2 3.54Å; W218-W420 HydrophobicContact CZ2-CZ2 3.54Å; W218-W420 AromaticContact CZ2-CZ3 3.89Å; W218-W420 HydrophobicContact CZ2-CZ3 3.89Å; W218-W420 HydrophobicContact CZ3-CH2 4.47Å
219	T	98.8	Very high	98.6	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.025	16%	0.16	C	C	.	.			trans	-151.9	148.2	178.7	-177.9	0	0	0	0	109.4	T173 N225 V230 Q286	T173-T219 HydrophobicContact CG2-CG2 4.19Å; T219-N225 PolarHBondContact OG1-ND2 2.62Å; T219-V230 HydrophobicContact CG2-CB 4.15Å; T219-V230 HydrophobicContact CG2-CG1 4.29Å; T219-Q286 HydrophobicContact CG2-CB 3.83Å; T219-Q286 HydrophobicContact CG2-CG 3.82Å
220	S	98.8	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.148	C	C	.	.			trans	-78.9	165.4	162.3	41.9	0	0	0	0	112.1	T222 N225 L236 W248 L288	S220-T222 PolarHBondContact O-N 2.76Å; S220-N225 PolarHBondContact OG-OD1 3.09Å; S220-L236 WeakPolarHBondContact OG-CD2 3.46Å; S220-W248 VanDerWaalsContact CA-CZ3 3.47Å; S220-W248 VanDerWaalsContact CB-CE3 3.47Å; S220-L288 WeakPolarHBondContact OG-CD1 3.45Å; S220-L288 WeakPolarHBondContact OG-CD2 3.19Å
221	P	98.9	Very high	98.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.128	C	C	.	.			trans	-47	135.1	165.2	-27.1	29.8	0	0	0	111.8	A175 W223 L224 N225 Y251	A175-P221 HydrophobicContact CB-CG 3.96Å; A175-P221 WeakPolarHBondContact O-CB 3.02Å; P221-W223 HydrophobicContact CB-CD2 4.36Å; P221-W223 HydrophobicContact CB-CG 4.39Å; P221-W223 HydrophobicContact CB-CZ2 4.15Å; P221-W223 HydrophobicContact CG-CZ2 4.42Å; P221-W223 PolarHBondContact O-N 3.02Å; P221-W223 VanDerWaalsContact O-N 3.08Å; P221-L224 HydrophobicContact CG-CD1 4.34Å; P221-L224 WeakPolarHBondContact O-CB 3.15Å; P221-L224 PolarHBondContact O-N 3.31Å; P221-N225 PolarHBondContact O-OD1 3.37Å; P221-Y251 HydrophobicContact CG-CD2 4.29Å; P221-Y251 HydrophobicContact CG-CE2 3.99Å
222	T	98.8	Very high	98.7	Very high	44 Å²	44	19.2 Å²	19.2	27%	0.27	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-60.9	-27.9	-169.6	58.7	0	0	0	0	113.7	S220 L224 N225 G228 V230	S220-T222 PolarHBondContact O-N 2.76Å; T222-L224 PolarHBondContact O-N 2.54Å; T222-N225 WeakPolarHBondContact O-CB 3.33Å; T222-N225 PolarHBondContact O-N 2.88Å; T222-G228 WeakPolarHBondContact O-CA 3.25Å; T222-V230 HydrophobicContact CG2-CB 4.49Å; T222-V230 HydrophobicContact CG2-CG1 3.51Å
223	W	98.8	Very high	98.7	Very high	14 Å²	14	23.9 Å²	23.9	5%	0.053	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-68.8	-17.3	176.7	55.7	-93.3	0	0	0	113.3	A175 T177 D180 F181 P221 K237 T247	A175-W223 PolarHBondContact O-NE1 2.9Å; T177-W223 PolarHBondContact O-NE1 3.16Å; D180-W223 HydrophobicContact CB-CZ2 4.26Å; D180-W223 WeakPolarHBondContact O-CH2 3.16Å; F181-W223 HydrophobicContact CD1-CH2 4.39Å; F181-W223 AromaticContact CD1-CZ3 3.64Å; F181-W223 HydrophobicContact CD1-CZ3 3.64Å; F181-W223 HydrophobicContact CD2-CZ3 4.47Å; F181-W223 HydrophobicContact CE1-CE3 4.24Å; F181-W223 AromaticContact CE1-CZ3 3.68Å; F181-W223 HydrophobicContact CE1-CZ3 3.68Å; F181-W223 HydrophobicContact CE2-CZ3 4.48Å; F181-W223 HydrophobicContact CG-CZ3 4.06Å; F181-W223 HydrophobicContact CZ-CE3 4.33Å; F181-W223 HydrophobicContact CZ-CZ3 4.11Å; P221-W223 HydrophobicContact CB-CD2 4.36Å; P221-W223 HydrophobicContact CB-CG 4.39Å; P221-W223 HydrophobicContact CB-CZ2 4.15Å; P221-W223 HydrophobicContact CG-CZ2 4.42Å; P221-W223 PolarHBondContact O-N 3.02Å; P221-W223 VanDerWaalsContact O-N 3.08Å; W223-K237 WeakPolarHBondContact O-CE 3.35Å; W223-K237 PolarHBondContact O-NZ 2.73Å; W223-T247 HydrophobicContact CH2-CG2 3.79Å; W223-T247 HydrophobicContact CZ3-CG2 4.36Å
224	L	98.8	Very high	98.6	Very high	1 Å²	1	24 Å²	24	1%	0.005	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-82.7	-16.4	168.4	-64.1	177.8	0	0	0	113.1	F181 P221 T222 L236 K237 Y244 T247 W248	F181-L224 HydrophobicContact CE1-CD2 4.25Å; P221-L224 HydrophobicContact CG-CD1 4.34Å; P221-L224 WeakPolarHBondContact O-CB 3.15Å; P221-L224 PolarHBondContact O-N 3.31Å; T222-L224 PolarHBondContact O-N 2.54Å; L224-L236 HydrophobicContact CB-CD2 3.99Å; L224-L236 WeakPolarHBondContact O-CA 3.43Å; L224-K237 WeakPolarHBondContact O-CG 3.29Å; L224-K237 PolarHBondContact O-N 3.05Å; L224-Y244 HydrophobicContact CD2-CD1 3.8Å; L224-T247 HydrophobicContact CD1-CG2 4.3Å; L224-T247 HydrophobicContact CD2-CG2 4.22Å; L224-W248 HydrophobicContact CD1-CB 4.41Å; L224-W248 HydrophobicContact CD1-CE3 4.37Å
225	N	98.4	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-92.9	141.3	-171	-60.2	2.1	0	0	0	112.1	T219 S220 P221 T222 N227 G228 A229 S235 K237	T219-N225 PolarHBondContact OG1-ND2 2.62Å; S220-N225 PolarHBondContact OG-OD1 3.09Å; P221-N225 PolarHBondContact O-OD1 3.37Å; T222-N225 WeakPolarHBondContact O-CB 3.33Å; T222-N225 PolarHBondContact O-N 2.88Å; N225-N227 WeakPolarHBondContact CB-OD1 3.36Å; N225-N227 PolarHBondContact O-N 3.28Å; N225-G228 PolarHBondContact O-N 3.39Å; N225-G228 VanDerWaalsContact O-N 3.13Å; N225-A229 PolarHBondContact ND2-O 3.18Å; N225-S235 CarbonylContact C-O 3.26Å; N225-S235 WeakPolarHBondContact CA-O 3.37Å; N225-K237 WeakPolarHBondContact O-CE 3.3Å
226	T	98.8	Very high	98.6	Very high	80 Å²	80	25.5 Å²	25.5	49%	0.491	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.2	178.7	47.7	0	0	0	0	113.7	S235 K237	T226-S235 WeakPolarHBondContact CG2-O 3.49Å; T226-S235 PolarHBondContact N-O 3.22Å; T226-S235 PolarHBondContact OG1-N 3.15Å; T226-S235 PolarHBondContact OG1-O 3.27Å; T226-K237 HydrophobicContact CG2-CG 4.11Å
227	N	98.4	Very high	98.6	Very high	58 Å²	58	28.4 Å²	28.4	31%	0.31	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-7	179.1	67.2	-13.7	0	0	0	114	N225 A229 N231 K233	N225-N227 WeakPolarHBondContact CB-OD1 3.36Å; N225-N227 PolarHBondContact O-N 3.28Å; N227-A229 PolarHBondContact O-N 3.13Å; N227-A229 PolarHBondContact OD1-N 2.86Å; N227-A229 VanDerWaalsContact OD1-N 3.17Å; N227-A229 PolarHBondContact OD1-O 2.83Å; N227-N231 PolarHBondContact ND2-O 2.76Å; N227-K233 WeakPolarHBondContact CB-O 3.38Å; N227-K233 PolarHBondContact ND2-O 3.19Å
228	G	98.4	Very high	98.6	Very high	46 Å²	46	30.4 Å²	30.4	47%	0.474	19%	0.189	S	C	.	.	S	Bend	trans	63.3	21.2	-177.2	0	0	0	0	0	114.6	T222 N225	T222-G228 WeakPolarHBondContact O-CA 3.25Å; N225-G228 PolarHBondContact O-N 3.39Å; N225-G228 VanDerWaalsContact O-N 3.13Å
229	A	98.4	Very high	98.6	Very high	31 Å²	31	37 Å²	37	26%	0.256	22%	0.221	S	C	.	.	S	Bend	trans	-134.7	159	-176.5	0	0	0	0	0	111.3	N225 N227	N225-A229 PolarHBondContact ND2-O 3.18Å; N227-A229 PolarHBondContact O-N 3.13Å; N227-A229 PolarHBondContact OD1-N 2.86Å; N227-A229 VanDerWaalsContact OD1-N 3.17Å; N227-A229 PolarHBondContact OD1-O 2.83Å
230	V	98.3	Very high	98.6	Very high	27 Å²	27	37.2 Å²	37.2	16%	0.164	22%	0.222	C	C	.	.	S	Bend	trans	-76.6	-26	177.9	-63.3	0	0	0	0	112.5	T171 T219 T222 Q286 C287	T171-V230 HydrophobicContact CG2-CG2 4.15Å; T219-V230 HydrophobicContact CG2-CB 4.15Å; T219-V230 HydrophobicContact CG2-CG1 4.29Å; T222-V230 HydrophobicContact CG2-CB 4.49Å; T222-V230 HydrophobicContact CG2-CG1 3.51Å; V230-Q286 HydrophobicContact CB-CG 4.07Å; V230-Q286 HydrophobicContact CG2-CG 4.29Å; V230-Q286 CarbonylContact O-C 3.56Å; V230-Q286 WeakPolarHBondContact O-CA 3.41Å; V230-C287 PolarHBondContact O-N 3.25Å
231	N	98.3	Very high	98.6	Very high	64 Å²	64	39.4 Å²	39.4	34%	0.342	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-124.4	-179.8	-176.8	67.6	-7.3	0	0	0	111.5	N227 P284 F285	N227-N231 PolarHBondContact ND2-O 2.76Å; N231-P284 PolarHBondContact ND2-O 3.45Å; N231-F285 WeakPolarHBondContact CA-O 3.38Å; N231-F285 VanDerWaalsContact CB-C 3.42Å; N231-F285 WeakPolarHBondContact CB-O 3.46Å
232	G	98.1	Very high	98.5	Very high	11 Å²	11	41.5 Å²	41.5	11%	0.113	26%	0.256	C	S	.	.	S	Bend	trans	74.8	-174.6	-177.9	0	0	0	0	0	113.4	G234 Y283 C287	G232-G234 PolarHBondContact O-N 3.48Å; G232-G234 VanDerWaalsContact O-N 3.15Å; G232-Y283 WeakPolarHBondContact CA-O 3.5Å; G232-Y283 PolarHBondContact N-O 3.04Å; G232-C287 PolarHBondContact O-SG 2.79Å
233	K	98.6	Very high	98.6	Very high	116 Å²	116	43.7 Å²	43.7	50%	0.504	27%	0.265	S	S	.	.	S	Bend	trans	-70.3	113.8	-179.1	-175.3	-176.7	-178	82	0	109.9	N227 G278 L279 L280	N227-K233 WeakPolarHBondContact CB-O 3.38Å; N227-K233 PolarHBondContact ND2-O 3.19Å; K233-G278 VanDerWaalsContact CA-O 3.3Å; K233-G278 WeakPolarHBondContact CA-O 3.45Å; K233-L279 PolarHBondContact NZ-O 2.79Å; K233-L280 PolarHBondContact N-O 3.4Å
234	G	98.4	Very high	98.6	Very high	5 Å²	5	46 Å²	46	5%	0.052	27%	0.274	C	S	.	.			trans	-164.9	146.8	-178.2	0	0	0	0	0	110.6	G232 G278 G289	G232-G234 PolarHBondContact O-N 3.48Å; G232-G234 VanDerWaalsContact O-N 3.15Å; G234-G278 PolarHBondContact N-O 2.94Å; G234-G289 VanDerWaalsContact O-CA 3.29Å; G234-G289 WeakPolarHBondContact O-CA 3.31Å; G234-G289 PolarHBondContact O-N 3.33Å
235	S	98.8	Very high	98.6	Very high	30 Å²	30	45.9 Å²	45.9	21%	0.21	27%	0.273	C	S	.	.			trans	-135.3	173.4	176.8	64.4	0	0	0	0	108.5	N225 T226 K237 G289	N225-S235 CarbonylContact C-O 3.26Å; N225-S235 WeakPolarHBondContact CA-O 3.37Å; T226-S235 WeakPolarHBondContact CG2-O 3.49Å; T226-S235 PolarHBondContact N-O 3.22Å; T226-S235 PolarHBondContact OG1-N 3.15Å; T226-S235 PolarHBondContact OG1-O 3.27Å; S235-K237 PolarHBondContact O-N 2.95Å; S235-G289 WeakPolarHBondContact CB-O 3.21Å
236	L	98.8	Very high	98.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-57.3	141.9	167.7	-67	173.7	0	0	0	110.7	S220 L224 W248 L288 F290	S220-L236 WeakPolarHBondContact OG-CD2 3.46Å; L224-L236 HydrophobicContact CB-CD2 3.99Å; L224-L236 WeakPolarHBondContact O-CA 3.43Å; L236-W248 HydrophobicContact CD1-CB 4.06Å; L236-W248 HydrophobicContact CD1-CG 4.07Å; L236-W248 HydrophobicContact CD2-CB 4.15Å; L236-W248 HydrophobicContact CD2-CG 4.16Å; L236-L288 HydrophobicContact CD2-CD1 4.29Å; L236-L288 HydrophobicContact CD2-CD2 4.07Å; L236-L288 HydrophobicContact CG-CD1 4.26Å; L236-L288 HydrophobicContact CG-CD2 4.08Å; L236-F290 HydrophobicContact CD1-CE1 3.98Å; L236-F290 HydrophobicContact CD1-CZ 3.82Å; L236-F290 HydrophobicContact CG-CE1 4.47Å; L236-F290 HydrophobicContact CG-CZ 4.16Å
237	K	98.8	Very high	98.6	Very high	61 Å²	61	44.7 Å²	44.7	27%	0.265	26%	0.262	S	S	.	.	S	Bend	trans	-65.4	154.7	171	-72.2	173.4	-176.1	170.3	0	110.6	W223 L224 N225 T226 S235 Y244 H245	W223-K237 WeakPolarHBondContact O-CE 3.35Å; W223-K237 PolarHBondContact O-NZ 2.73Å; L224-K237 WeakPolarHBondContact O-CG 3.29Å; L224-K237 PolarHBondContact O-N 3.05Å; N225-K237 WeakPolarHBondContact O-CE 3.3Å; T226-K237 HydrophobicContact CG2-CG 4.11Å; S235-K237 PolarHBondContact O-N 2.95Å; K237-Y244 HydrophobicContact CB-CD1 3.79Å; K237-Y244 HydrophobicContact CB-CD2 3.78Å; K237-Y244 HydrophobicContact CB-CE1 3.93Å; K237-Y244 HydrophobicContact CB-CE2 3.9Å; K237-Y244 HydrophobicContact CB-CG 3.73Å; K237-Y244 HydrophobicContact CD-CD1 4.16Å; K237-Y244 HydrophobicContact CD-CE1 3.66Å; K237-Y244 HydrophobicContact CG-CE1 4.44Å; K237-Y244 WeakPolarHBondContact O-CB 3.32Å; K237-H245 PolarHBondContact O-CE1 3.08Å; K237-H245 PolarHBondContact O-ND1 2.91Å
238	G	98.3	Very high	98.6	Very high	41 Å²	41	41.9 Å²	41.9	42%	0.423	25%	0.247	S	C	.	.	S	Bend	trans	71.4	-138	172.9	0	0	0	0	0	113.1	D242	G238-D242 WeakPolarHBondContact CA-OD2 3.19Å
239	Q	98.4	Very high	98.6	Very high	142 Å²	142	39.7 Å²	39.7	66%	0.664	23%	0.225	S	C	*	.			trans	-143.8	149.2	-173.7	-62.9	-65.8	-49.9	0	0	112	G241 D242 H245	Q239-G241 PolarHBondContact O-N 2.86Å; Q239-D242 PolarHBondContact N-OD2 3.14Å; Q239-D242 VanDerWaalsContact O-CB 3.25Å; Q239-D242 WeakPolarHBondContact O-CB 3.11Å; Q239-D242 PolarHBondContact O-N 2.98Å; Q239-D242 VanDerWaalsContact O-N 3.08Å; Q239-H245 VanDerWaalsContact C-ND1 3.25Å; Q239-H245 PolarHBondContact N-CE1 2.82Å; Q239-H245 PolarHBondContact O-ND1 3.28Å; Q239-H245 VanDerWaalsContact O-ND1 3.12Å
240	P	98.8	Very high	98.7	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.058	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	132.4	176.7	-31.4	38.6	0	0	0	113.8	D297 R301 D302	P240-D297 HydrophobicContact CB-CB 3.73Å; P240-D297 HydrophobicContact CG-CB 3.68Å; P240-R301 HydrophobicContact CB-CB 4.48Å; P240-R301 VanDerWaalsContact O-CD 3.28Å; P240-R301 WeakPolarHBondContact O-CD 3.5Å; P240-R301 PolarHBondContact O-NH1 2.99Å; P240-D302 WeakPolarHBondContact CA-OD2 3.34Å
241	G	98.4	Very high	98.7	Very high	45 Å²	45	41.6 Å²	41.6	46%	0.464	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	-7.3	-169.7	0	0	0	0	0	115	Q239 D302	Q239-G241 PolarHBondContact O-N 2.86Å; G241-D302 WeakPolarHBondContact CA-OD1 3.34Å; G241-D302 VanDerWaalsContact N-CG 3.33Å; G241-D302 PolarHBondContact N-OD1 2.56Å; G241-D302 PolarHBondContact N-OD2 3.39Å
242	D	98.8	Very high	98.7	Very high	45 Å²	45	38.5 Å²	38.5	24%	0.241	21%	0.206	C	C	.	.	S	Bend	trans	-93.1	-177.4	-179.6	79.8	6.2	0	0	0	114.3	G238 Q239 Y244 H245 Q246	G238-D242 WeakPolarHBondContact CA-OD2 3.19Å; Q239-D242 PolarHBondContact N-OD2 3.14Å; Q239-D242 VanDerWaalsContact O-CB 3.25Å; Q239-D242 WeakPolarHBondContact O-CB 3.11Å; Q239-D242 PolarHBondContact O-N 2.98Å; Q239-D242 VanDerWaalsContact O-N 3.08Å; D242-Y244 VanDerWaalsContact C-N 3.31Å; D242-Y244 PolarHBondContact O-N 3.4Å; D242-Y244 WeakPolarHBondContact OD1-CB 3.47Å; D242-Y244 PolarHBondContact OD1-N 3.21Å; D242-H245 PolarHBondContact O-N 2.94Å; D242-H245 IonicContact OD1-CE1 2.68Å; D242-H245 IonicContact OD1-CG 3.89Å; D242-H245 PolarHBondContact OD1-N 3.12Å; D242-H245 IonicContact OD1-ND1 3.36Å; D242-H245 PolarHBondContact OD1-ND1 3.41Å; D242-H245 IonicContact OD2-ND1 2.8Å; D242-Q246 VanDerWaalsContact O-CB 3.24Å; D242-Q246 WeakPolarHBondContact O-CB 3.39Å; D242-Q246 WeakPolarHBondContact O-CG 3.44Å; D242-Q246 PolarHBondContact O-N 3.13Å
243	I	98.8	Very high	98.8	Very high	89 Å²	89	39 Å²	39	46%	0.456	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-35.3	-178.5	-165.9	174.8	0	0	0	113.1	F181 T247	F181-I243 HydrophobicContact CB-CD1 3.96Å; F181-I243 HydrophobicContact CB-CG1 4.31Å; F181-I243 HydrophobicContact CD1-CD1 3.7Å; F181-I243 HydrophobicContact CD1-CG1 3.64Å; F181-I243 HydrophobicContact CD1-CG2 4.44Å; F181-I243 HydrophobicContact CD2-CD1 4.19Å; F181-I243 HydrophobicContact CE1-CD1 4.22Å; F181-I243 HydrophobicContact CE1-CG1 4.2Å; F181-I243 HydrophobicContact CE1-CG2 4.14Å; F181-I243 HydrophobicContact CG-CD1 3.68Å; F181-I243 HydrophobicContact CG-CG1 4.09Å; I243-T247 WeakPolarHBondContact O-CB 3.37Å; I243-T247 PolarHBondContact O-N 2.63Å; I243-T247 PolarHBondContact O-OG1 3.41Å
244	Y	98.9	Very high	98.8	Very high	62 Å²	62	37.7 Å²	37.7	24%	0.243	20%	0.201	C	C	.	.	H	α-helix	trans	-70.4	-46.8	-177.8	-61.6	-78	0	0	0	110.3	F181 L224 K237 D242 T247 W248	F181-Y244 AromaticContact CE1-CD1 3.71Å; F181-Y244 HydrophobicContact CE1-CD1 3.71Å; F181-Y244 AromaticContact CE1-CE1 3.62Å; F181-Y244 HydrophobicContact CE1-CE1 3.62Å; F181-Y244 HydrophobicContact CZ-CD1 4.25Å; F181-Y244 AromaticContact CZ-CE1 3.69Å; F181-Y244 HydrophobicContact CZ-CE1 3.69Å; L224-Y244 HydrophobicContact CD2-CD1 3.8Å; K237-Y244 HydrophobicContact CB-CD1 3.79Å; K237-Y244 HydrophobicContact CB-CD2 3.78Å; K237-Y244 HydrophobicContact CB-CE1 3.93Å; K237-Y244 HydrophobicContact CB-CE2 3.9Å; K237-Y244 HydrophobicContact CB-CG 3.73Å; K237-Y244 HydrophobicContact CD-CD1 4.16Å; K237-Y244 HydrophobicContact CD-CE1 3.66Å; K237-Y244 HydrophobicContact CG-CE1 4.44Å; K237-Y244 WeakPolarHBondContact O-CB 3.32Å; D242-Y244 VanDerWaalsContact C-N 3.31Å; D242-Y244 PolarHBondContact O-N 3.4Å; D242-Y244 WeakPolarHBondContact OD1-CB 3.47Å; D242-Y244 PolarHBondContact OD1-N 3.21Å; Y244-T247 PolarHBondContact O-N 3.17Å; Y244-W248 PolarHBondContact O-N 2.99Å
245	H	98.9	Very high	98.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-70.8	-41.1	-179	-64.5	74.2	0	0	0	112.1	K237 Q239 D242 T247 W248 A249 H294 F298 D302	K237-H245 PolarHBondContact O-CE1 3.08Å; K237-H245 PolarHBondContact O-ND1 2.91Å; Q239-H245 VanDerWaalsContact C-ND1 3.25Å; Q239-H245 PolarHBondContact N-CE1 2.82Å; Q239-H245 PolarHBondContact O-ND1 3.28Å; Q239-H245 VanDerWaalsContact O-ND1 3.12Å; D242-H245 PolarHBondContact O-N 2.94Å; D242-H245 IonicContact OD1-CE1 2.68Å; D242-H245 IonicContact OD1-CG 3.89Å; D242-H245 PolarHBondContact OD1-N 3.12Å; D242-H245 IonicContact OD1-ND1 3.36Å; D242-H245 PolarHBondContact OD1-ND1 3.41Å; D242-H245 IonicContact OD2-ND1 2.8Å; H245-T247 VanDerWaalsContact C-N 3.32Å; H245-T247 PolarHBondContact O-N 2.81Å; H245-W248 PolarHBondContact O-N 3.03Å; H245-A249 PolarHBondContact O-N 2.74Å; H245-H294 AromaticContact CD2-NE2 3.63Å; H245-H294 AromaticContact CE1-NE2 3.93Å; H245-H294 AromaticContact NE2-CD2 3.83Å; H245-H294 AromaticContact NE2-CE1 3.69Å; H245-H294 AromaticContact NE2-NE2 2.82Å; H245-H294 PolarHBondContact NE2-NE2 3.1Å; H245-F298 HydrophobicContact CB-CD2 4.18Å; H245-F298 HydrophobicContact CB-CE2 4.48Å; H245-F298 AromaticContact CD2-CD2 4Å; H245-D302 HydrophobicContact CB-CB 4.24Å; H245-D302 VanDerWaalsContact CB-CG 3.49Å; H245-D302 VanDerWaalsContact CB-OD2 3.23Å; H245-D302 WeakPolarHBondContact CB-OD2 3.33Å; H245-D302 IonicContact CG-OD2 3.91Å
246	Q	98.9	Very high	98.8	Very high	54 Å²	54	36.1 Å²	36.1	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-63.4	-38.8	173.2	-72.9	-68.9	-24.2	0	0	111.9	D242 A249 R250 R301 D302	D242-Q246 VanDerWaalsContact O-CB 3.24Å; D242-Q246 WeakPolarHBondContact O-CB 3.39Å; D242-Q246 WeakPolarHBondContact O-CG 3.44Å; D242-Q246 PolarHBondContact O-N 3.13Å; Q246-A249 PolarHBondContact O-N 2.91Å; Q246-R250 WeakPolarHBondContact O-CG 3.38Å; Q246-R250 PolarHBondContact O-N 3.03Å; Q246-R301 PolarHBondContact NE2-O 3.4Å; Q246-D302 VanDerWaalsContact CD-OD1 3.3Å; Q246-D302 WeakPolarHBondContact CG-OD1 3.48Å; Q246-D302 PolarHBondContact NE2-OD1 3.39Å
247	T	98.9	Very high	98.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-42.5	175.2	-61	0	0	0	0	111	F181 L183 W223 L224 I243 Y244 H245 R250 Y251	F181-T247 PolarHBondContact O-OG1 2.91Å; L183-T247 HydrophobicContact CD1-CG2 4.39Å; L183-T247 HydrophobicContact CD2-CG2 3.95Å; L183-T247 HydrophobicContact CG-CG2 4.1Å; W223-T247 HydrophobicContact CH2-CG2 3.79Å; W223-T247 HydrophobicContact CZ3-CG2 4.36Å; L224-T247 HydrophobicContact CD1-CG2 4.3Å; L224-T247 HydrophobicContact CD2-CG2 4.22Å; I243-T247 WeakPolarHBondContact O-CB 3.37Å; I243-T247 PolarHBondContact O-N 2.63Å; I243-T247 PolarHBondContact O-OG1 3.41Å; Y244-T247 PolarHBondContact O-N 3.17Å; H245-T247 VanDerWaalsContact C-N 3.32Å; H245-T247 PolarHBondContact O-N 2.81Å; T247-R250 PolarHBondContact O-N 3.22Å; T247-R250 PolarHBondContact OG1-NH2 3.28Å; T247-Y251 PolarHBondContact O-N 2.93Å
248	W	98.9	Very high	98.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.2	-43.6	174.7	-172.8	-130.8	0	0	0	112.3	P217 S220 L224 L236 Y244 H245 R250 Y251 F252 L288 F298	P217-W248 HydrophobicContact CB-CH2 3.8Å; P217-W248 HydrophobicContact CB-CZ2 3.69Å; P217-W248 HydrophobicContact CG-CH2 4.35Å; P217-W248 HydrophobicContact CG-CZ2 3.77Å; S220-W248 VanDerWaalsContact CA-CZ3 3.47Å; S220-W248 VanDerWaalsContact CB-CE3 3.47Å; L224-W248 HydrophobicContact CD1-CB 4.41Å; L224-W248 HydrophobicContact CD1-CE3 4.37Å; L236-W248 HydrophobicContact CD1-CB 4.06Å; L236-W248 HydrophobicContact CD1-CG 4.07Å; L236-W248 HydrophobicContact CD2-CB 4.15Å; L236-W248 HydrophobicContact CD2-CG 4.16Å; Y244-W248 PolarHBondContact O-N 2.99Å; H245-W248 PolarHBondContact O-N 3.03Å; W248-R250 VanDerWaalsContact C-N 3.32Å; W248-R250 PolarHBondContact O-N 2.74Å; W248-Y251 AromaticContact CE3-CD1 3.93Å; W248-Y251 HydrophobicContact CE3-CD1 3.93Å; W248-Y251 HydrophobicContact CE3-CD2 4.36Å; W248-Y251 AromaticContact CE3-CG 3.79Å; W248-Y251 HydrophobicContact CE3-CG 3.79Å; W248-Y251 AromaticContact CH2-CD1 3.92Å; W248-Y251 HydrophobicContact CH2-CD1 3.92Å; W248-Y251 AromaticContact CH2-CE1 3.95Å; W248-Y251 HydrophobicContact CH2-CE1 3.95Å; W248-Y251 AromaticContact CZ3-CD1 3.3Å; W248-Y251 HydrophobicContact CZ3-CD1 3.3Å; W248-Y251 HydrophobicContact CZ3-CD2 4.01Å; W248-Y251 AromaticContact CZ3-CE1 3.58Å; W248-Y251 HydrophobicContact CZ3-CE1 3.58Å; W248-Y251 HydrophobicContact CZ3-CE2 4.23Å; W248-Y251 AromaticContact CZ3-CG 3.53Å; W248-Y251 HydrophobicContact CZ3-CG 3.53Å; W248-Y251 WeakPolarHBondContact O-CB 3.29Å; W248-Y251 PolarHBondContact O-N 3.27Å; W248-F252 HydrophobicContact CD2-CE2 4.22Å; W248-F252 AromaticContact CE2-CE2 3.66Å; W248-F252 AromaticContact CZ2-CE2 3.94Å; W248-F252 HydrophobicContact CZ2-CE2 3.94Å; W248-F252 HydrophobicContact CZ2-CZ 4.47Å; W248-F252 AromaticContact NE1-CE2 3.63Å; W248-F252 WeakPolarHBondContact O-CD2 3.41Å; W248-F252 PolarHBondContact O-N 3.43Å; W248-L288 HydrophobicContact CZ2-CD2 4.18Å; W248-F298 HydrophobicContact CB-CE2 4.47Å; W248-F298 AromaticContact CD1-CE1 3.88Å; W248-F298 AromaticContact CD1-CE2 3.86Å; W248-F298 AromaticContact CD1-CZ 3.29Å; W248-F298 HydrophobicContact CG-CZ 4.18Å
249	A	98.9	Very high	98.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-39.4	174.2	0	0	0	0	0	112.7	H245 Q246 Y251 F252 F298 D302 L303 T306	H245-A249 PolarHBondContact O-N 2.74Å; Q246-A249 PolarHBondContact O-N 2.91Å; A249-Y251 VanDerWaalsContact C-N 3.31Å; A249-Y251 PolarHBondContact O-N 3.24Å; A249-F252 WeakPolarHBondContact O-CB 3.36Å; A249-F252 PolarHBondContact O-N 2.58Å; A249-F298 HydrophobicContact CB-CE2 4.25Å; A249-D302 HydrophobicContact CB-CB 3.99Å; A249-L303 HydrophobicContact CB-CD1 4.5Å; A249-T306 HydrophobicContact CB-CG2 4.07Å
250	R	98.9	Very high	98.9	Very high	97 Å²	97	29.8 Å²	29.8	37%	0.366	16%	0.161	S	C	.	.	H	α-helix	trans	-67	-29.7	173.6	-72.9	-167.2	-58.6	-111.5	1.2	113	F181 L183 Q246 T247 W248 F252 V253 K254 T306	F181-R250 PolarHBondContact O-NH2 3.28Å; L183-R250 HydrophobicContact CD1-CB 3.83Å; Q246-R250 WeakPolarHBondContact O-CG 3.38Å; Q246-R250 PolarHBondContact O-N 3.03Å; T247-R250 PolarHBondContact O-N 3.22Å; T247-R250 PolarHBondContact OG1-NH2 3.28Å; W248-R250 VanDerWaalsContact C-N 3.32Å; W248-R250 PolarHBondContact O-N 2.74Å; R250-F252 VanDerWaalsContact C-N 3.29Å; R250-F252 PolarHBondContact O-N 2.74Å; R250-V253 PolarHBondContact O-N 3.05Å; R250-V253 VanDerWaalsContact O-N 3.16Å; R250-K254 WeakPolarHBondContact O-CG 3.35Å; R250-K254 PolarHBondContact O-N 2.98Å; R250-T306 HydrophobicContact CG-CG2 4.29Å
251	Y	98.9	Very high	98.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-40	174.8	-176.2	-79.8	0	0	0	111.3	M162 Y174 A175 L183 F186 P221 T247 W248 A249 V253 K254 F255	M162-Y251 HydrophobicContact CE-CD1 4.1Å; M162-Y251 HydrophobicContact CE-CE1 4.13Å; Y174-Y251 WeakPolarHBondContact CB-OH 3.45Å; Y174-Y251 AromaticContact CD2-CE1 3.66Å; Y174-Y251 HydrophobicContact CD2-CE1 3.66Å; Y174-Y251 HydrophobicContact CD2-CE2 4.26Å; Y174-Y251 AromaticContact CD2-CZ 3.38Å; Y174-Y251 WeakPolarHBondContact CD2-OH 3.22Å; Y174-Y251 HydrophobicContact CE2-CE1 4.31Å; Y174-Y251 HydrophobicContact CG-CE2 4.46Å; Y174-Y251 AromaticContact CG-CZ 3.89Å; Y174-Y251 VanDerWaalsContact CG-OH 3.28Å; Y174-Y251 PolarHBondContact N-OH 2.82Å; A175-Y251 HydrophobicContact CB-CD2 4.26Å; A175-Y251 HydrophobicContact CB-CE2 4.05Å; L183-Y251 HydrophobicContact CD2-CD2 4.39Å; F186-Y251 AromaticContact CD2-CD2 3.85Å; F186-Y251 HydrophobicContact CD2-CD2 3.85Å; F186-Y251 HydrophobicContact CD2-CE2 4Å; F186-Y251 HydrophobicContact CD2-CG 4.45Å; F186-Y251 HydrophobicContact CE2-CD1 4.25Å; F186-Y251 AromaticContact CE2-CD2 3.69Å; F186-Y251 HydrophobicContact CE2-CD2 3.69Å; F186-Y251 HydrophobicContact CE2-CE1 4.25Å; F186-Y251 AromaticContact CE2-CE2 3.71Å; F186-Y251 HydrophobicContact CE2-CE2 3.71Å; F186-Y251 AromaticContact CE2-CG 3.98Å; F186-Y251 HydrophobicContact CE2-CG 3.98Å; P221-Y251 HydrophobicContact CG-CD2 4.29Å; P221-Y251 HydrophobicContact CG-CE2 3.99Å; T247-Y251 PolarHBondContact O-N 2.93Å; W248-Y251 AromaticContact CE3-CD1 3.93Å; W248-Y251 HydrophobicContact CE3-CD1 3.93Å; W248-Y251 HydrophobicContact CE3-CD2 4.36Å; W248-Y251 AromaticContact CE3-CG 3.79Å; W248-Y251 HydrophobicContact CE3-CG 3.79Å; W248-Y251 AromaticContact CH2-CD1 3.92Å; W248-Y251 HydrophobicContact CH2-CD1 3.92Å; W248-Y251 AromaticContact CH2-CE1 3.95Å; W248-Y251 HydrophobicContact CH2-CE1 3.95Å; W248-Y251 AromaticContact CZ3-CD1 3.3Å; W248-Y251 HydrophobicContact CZ3-CD1 3.3Å; W248-Y251 HydrophobicContact CZ3-CD2 4.01Å; W248-Y251 AromaticContact CZ3-CE1 3.58Å; W248-Y251 HydrophobicContact CZ3-CE1 3.58Å; W248-Y251 HydrophobicContact CZ3-CE2 4.23Å; W248-Y251 AromaticContact CZ3-CG 3.53Å; W248-Y251 HydrophobicContact CZ3-CG 3.53Å; W248-Y251 WeakPolarHBondContact O-CB 3.29Å; W248-Y251 PolarHBondContact O-N 3.27Å; A249-Y251 VanDerWaalsContact C-N 3.31Å; A249-Y251 PolarHBondContact O-N 3.24Å; Y251-V253 PolarHBondContact O-N 3.46Å; Y251-K254 PolarHBondContact O-N 3.2Å; Y251-F255 WeakPolarHBondContact O-CB 3.42Å; Y251-F255 PolarHBondContact O-N 2.99Å
252	F	98.9	Very high	98.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-45.4	172.5	-78.8	-106.6	0	0	0	112	M162 P217 W248 A249 R250 F255 L256 V269 T270 L303	M162-F252 HydrophobicContact CE-CB 4.48Å; M162-F252 HydrophobicContact CE-CD1 3.76Å; M162-F252 HydrophobicContact CE-CD2 4.31Å; M162-F252 HydrophobicContact CE-CE1 4.04Å; M162-F252 HydrophobicContact CE-CG 3.92Å; M162-F252 HydrophobicContact CE-CZ 4.46Å; M162-F252 HydrophobicContact SD-CD1 4.04Å; M162-F252 HydrophobicContact SD-CE1 3.97Å; P217-F252 HydrophobicContact CG-CE1 4.09Å; P217-F252 HydrophobicContact CG-CE2 4.26Å; P217-F252 HydrophobicContact CG-CZ 3.54Å; W248-F252 HydrophobicContact CD2-CE2 4.22Å; W248-F252 AromaticContact CE2-CE2 3.66Å; W248-F252 AromaticContact CZ2-CE2 3.94Å; W248-F252 HydrophobicContact CZ2-CE2 3.94Å; W248-F252 HydrophobicContact CZ2-CZ 4.47Å; W248-F252 AromaticContact NE1-CE2 3.63Å; W248-F252 WeakPolarHBondContact O-CD2 3.41Å; W248-F252 PolarHBondContact O-N 3.43Å; A249-F252 WeakPolarHBondContact O-CB 3.36Å; A249-F252 PolarHBondContact O-N 2.58Å; R250-F252 VanDerWaalsContact C-N 3.29Å; R250-F252 PolarHBondContact O-N 2.74Å; F252-F255 WeakPolarHBondContact O-CB 3.3Å; F252-F255 PolarHBondContact O-N 2.71Å; F252-L256 VanDerWaalsContact O-CG 3.29Å; F252-L256 WeakPolarHBondContact O-CG 3.36Å; F252-L256 PolarHBondContact O-N 2.9Å; F252-V269 HydrophobicContact CD1-CB 4.31Å; F252-V269 HydrophobicContact CD1-CG2 4.21Å; F252-V269 HydrophobicContact CE1-CB 4.36Å; F252-V269 HydrophobicContact CE1-CG2 4.41Å; F252-T270 WeakPolarHBondContact CE1-O 3.43Å; F252-L303 HydrophobicContact CB-CD1 4.01Å; F252-L303 HydrophobicContact CD1-CD1 4.04Å; F252-L303 HydrophobicContact CD2-CD1 3.79Å; F252-L303 HydrophobicContact CE1-CD1 4.42Å; F252-L303 HydrophobicContact CE1-CD2 4.47Å; F252-L303 HydrophobicContact CE2-CD1 4.19Å; F252-L303 HydrophobicContact CG-CD1 3.69Å; F252-L303 HydrophobicContact CZ-CD1 4.47Å; F252-L303 HydrophobicContact CZ-CD2 4.36Å
253	V	98.9	Very high	98.9	Very high	22 Å²	22	44.8 Å²	44.8	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-64.5	-43.2	178.2	175.5	0	0	0	0	111	R250 Y251 F255 L256 D257 T306 L307	R250-V253 PolarHBondContact O-N 3.05Å; R250-V253 VanDerWaalsContact O-N 3.16Å; Y251-V253 PolarHBondContact O-N 3.46Å; V253-F255 VanDerWaalsContact C-N 3.32Å; V253-F255 PolarHBondContact O-N 3.36Å; V253-L256 PolarHBondContact O-N 2.94Å; V253-D257 WeakPolarHBondContact O-CB 3.31Å; V253-D257 VanDerWaalsContact O-CG 3.26Å; V253-D257 PolarHBondContact O-N 3.41Å; V253-T306 HydrophobicContact CG2-CG2 3.79Å; V253-L307 HydrophobicContact CG2-CD2 4.28Å
254	K	98.9	Very high	98.9	Very high	87 Å²	87	40.7 Å²	40.7	38%	0.378	19%	0.193	S	C	.	.	H	α-helix	trans	-60.6	-39	175.8	-75.5	-67.7	-170.2	176.7	0	112.8	L183 F186 R250 Y251 A258	L183-K254 HydrophobicContact CB-CG 4.39Å; L183-K254 HydrophobicContact CD1-CG 4.03Å; F186-K254 HydrophobicContact CD1-CB 3.85Å; F186-K254 HydrophobicContact CD2-CB 3.67Å; F186-K254 HydrophobicContact CD2-CG 4.37Å; F186-K254 HydrophobicContact CE1-CB 3.88Å; F186-K254 WeakPolarHBondContact CE1-O 3Å; F186-K254 HydrophobicContact CE2-CB 3.66Å; F186-K254 HydrophobicContact CG-CB 3.77Å; F186-K254 HydrophobicContact CG-CG 4.3Å; F186-K254 HydrophobicContact CZ-CB 3.79Å; R250-K254 WeakPolarHBondContact O-CG 3.35Å; R250-K254 PolarHBondContact O-N 2.98Å; Y251-K254 PolarHBondContact O-N 3.2Å; K254-A258 WeakPolarHBondContact O-CB 3.48Å; K254-A258 PolarHBondContact O-N 3.5Å
255	F	98.9	Very high	98.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-48.7	172.5	164.7	-98.5	0	0	0	111.8	M162 Y174 F186 A215 Y251 F252 V253 D257 A258 Y259 F266	M162-F255 HydrophobicContact CB-CD2 4.46Å; M162-F255 HydrophobicContact CB-CE2 4.38Å; M162-F255 HydrophobicContact CE-CB 4.01Å; M162-F255 HydrophobicContact CE-CD1 3.99Å; M162-F255 HydrophobicContact CE-CG 3.96Å; M162-F255 HydrophobicContact CG-CD1 3.97Å; M162-F255 HydrophobicContact CG-CD2 4.03Å; M162-F255 HydrophobicContact CG-CE1 3.81Å; M162-F255 HydrophobicContact CG-CE2 3.8Å; M162-F255 HydrophobicContact CG-CG 4.08Å; M162-F255 HydrophobicContact CG-CZ 3.69Å; M162-F255 HydrophobicContact SD-CD1 4.1Å; M162-F255 HydrophobicContact SD-CE1 4.24Å; M162-F255 HydrophobicContact SD-CG 4.49Å; Y174-F255 HydrophobicContact CD2-CD2 4.31Å; Y174-F255 HydrophobicContact CE2-CB 4.48Å; Y174-F255 AromaticContact CE2-CD2 3.45Å; Y174-F255 HydrophobicContact CE2-CD2 3.45Å; Y174-F255 VanDerWaalsContact CE2-CD2 3.45Å; Y174-F255 HydrophobicContact CE2-CE2 4.09Å; Y174-F255 HydrophobicContact CE2-CG 4.34Å; F186-F255 HydrophobicContact CZ-CB 4.03Å; F186-F255 VanDerWaalsContact CZ-N 3.34Å; A215-F255 HydrophobicContact CB-CD1 4.47Å; A215-F255 HydrophobicContact CB-CE1 3.41Å; A215-F255 VanDerWaalsContact CB-CE1 3.41Å; A215-F255 HydrophobicContact CB-CZ 3.71Å; Y251-F255 WeakPolarHBondContact O-CB 3.42Å; Y251-F255 PolarHBondContact O-N 2.99Å; F252-F255 WeakPolarHBondContact O-CB 3.3Å; F252-F255 PolarHBondContact O-N 2.71Å; V253-F255 VanDerWaalsContact C-N 3.32Å; V253-F255 PolarHBondContact O-N 3.36Å; F255-D257 VanDerWaalsContact C-N 3.34Å; F255-D257 PolarHBondContact O-N 3.33Å; F255-A258 PolarHBondContact O-N 3.45Å; F255-Y259 AromaticContact CD2-CD2 3.8Å; F255-Y259 HydrophobicContact CD2-CD2 3.8Å; F255-Y259 AromaticContact CD2-CE2 3.84Å; F255-Y259 HydrophobicContact CD2-CE2 3.84Å; F255-Y259 AromaticContact CE2-CD2 3.45Å; F255-Y259 HydrophobicContact CE2-CD2 3.45Å; F255-Y259 VanDerWaalsContact CE2-CD2 3.45Å; F255-Y259 AromaticContact CE2-CE2 3.23Å; F255-Y259 HydrophobicContact CE2-CE2 3.23Å; F255-Y259 HydrophobicContact CE2-CG 4.28Å; F255-Y259 AromaticContact CE2-CZ 3.9Å; F255-Y259 AromaticContact CZ-CD2 3.95Å; F255-Y259 HydrophobicContact CZ-CD2 3.95Å; F255-Y259 AromaticContact CZ-CE2 3.95Å; F255-Y259 HydrophobicContact CZ-CE2 3.95Å; F255-Y259 HydrophobicContact CZ-CG 4.34Å; F255-Y259 PolarHBondContact O-N 3.27Å; F255-F266 HydrophobicContact CE1-CD2 4.14Å; F255-F266 HydrophobicContact CE1-CE1 4.11Å; F255-F266 AromaticContact CE1-CE2 3.61Å; F255-F266 HydrophobicContact CE1-CE2 3.61Å; F255-F266 AromaticContact CE1-CZ 3.61Å; F255-F266 HydrophobicContact CE1-CZ 3.61Å; F255-F266 HydrophobicContact CZ-CE1 4.06Å; F255-F266 AromaticContact CZ-CE2 3.71Å; F255-F266 HydrophobicContact CZ-CE2 3.71Å; F255-F266 AromaticContact CZ-CZ 3.36Å; F255-F266 HydrophobicContact CZ-CZ 3.36Å
256	L	98.9	Very high	98.9	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-39.3	178.9	-66.3	171.2	0	0	0	111.8	F252 V253 A260 F266 V269 L307 H312 V315	F252-L256 VanDerWaalsContact O-CG 3.29Å; F252-L256 WeakPolarHBondContact O-CG 3.36Å; F252-L256 PolarHBondContact O-N 2.9Å; V253-L256 PolarHBondContact O-N 2.94Å; L256-A260 WeakPolarHBondContact O-CB 3.44Å; L256-A260 PolarHBondContact O-N 2.82Å; L256-F266 HydrophobicContact CD2-CB 3.82Å; L256-F266 HydrophobicContact CD2-CD2 3.55Å; L256-F266 HydrophobicContact CD2-CE2 4.39Å; L256-F266 HydrophobicContact CD2-CG 3.82Å; L256-V269 HydrophobicContact CD2-CG1 4.25Å; L256-L307 HydrophobicContact CD1-CD2 3.79Å; L256-H312 HydrophobicContact CB-CB 4.34Å; L256-H312 HydrophobicContact CD1-CB 3.75Å; L256-H312 PolarHBondContact O-CE1 2.94Å; L256-V315 HydrophobicContact CD1-CG2 4.27Å; L256-V315 HydrophobicContact CD2-CG2 4.41Å
257	D	98.9	Very high	98.9	Very high	52 Å²	52	44.8 Å²	44.8	28%	0.278	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-51.5	172.8	-73.1	-25.4	0	0	0	110.6	V253 F255 Y259 A260 E261 H312	V253-D257 WeakPolarHBondContact O-CB 3.31Å; V253-D257 VanDerWaalsContact O-CG 3.26Å; V253-D257 PolarHBondContact O-N 3.41Å; F255-D257 VanDerWaalsContact C-N 3.34Å; F255-D257 PolarHBondContact O-N 3.33Å; D257-Y259 PolarHBondContact O-N 2.87Å; D257-A260 WeakPolarHBondContact O-CB 3.45Å; D257-A260 PolarHBondContact O-N 2.9Å; D257-A260 VanDerWaalsContact O-N 3.1Å; D257-E261 PolarHBondContact O-N 3.5Å; D257-H312 PolarHBondContact N-NE2 2.8Å; D257-H312 IonicContact OD1-CD2 3.67Å; D257-H312 IonicContact OD1-CE1 2.83Å; D257-H312 IonicContact OD1-NE2 3.92Å; D257-H312 PolarHBondContact OD1-NE2 2.87Å
258	A	98.9	Very high	98.9	Very high	13 Å²	13	44.8 Å²	44.8	11%	0.107	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-44.4	-178	0	0	0	0	0	112.2	F186 L188 K254 F255 A260 E261 H262	F186-A258 HydrophobicContact CE1-CB 4.11Å; L188-A258 HydrophobicContact CD1-CB 3.66Å; L188-A258 HydrophobicContact CD2-CB 4.22Å; L188-A258 HydrophobicContact CG-CB 3.76Å; K254-A258 WeakPolarHBondContact O-CB 3.48Å; K254-A258 PolarHBondContact O-N 3.5Å; F255-A258 PolarHBondContact O-N 3.45Å; A258-A260 VanDerWaalsContact C-N 3.29Å; A258-A260 PolarHBondContact O-N 3.42Å; A258-E261 WeakPolarHBondContact O-CB 3.34Å; A258-E261 PolarHBondContact O-N 2.97Å; A258-H262 PolarHBondContact O-CD2 2.85Å; A258-H262 VanDerWaalsContact O-CD2 3.29Å; A258-H262 PolarHBondContact O-N 3.34Å
259	Y	98.9	Very high	98.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-31.3	174.6	-91.7	-110.5	0	0	0	112.7	V160 L188 D192 I197 I200 F255 D257 H262 K263 L264 F266	V160-Y259 HydrophobicContact CG1-CE1 4.09Å; L188-Y259 HydrophobicContact CD1-CD2 3.78Å; L188-Y259 HydrophobicContact CD1-CE2 3.79Å; L188-Y259 HydrophobicContact CD2-CD2 4.29Å; L188-Y259 HydrophobicContact CD2-CE2 3.95Å; D192-Y259 WeakPolarHBondContact OD1-CE2 3.48Å; D192-Y259 PolarHBondContact OD1-OH 3.43Å; I197-Y259 HydrophobicContact CD1-CD1 4.43Å; I197-Y259 HydrophobicContact CD1-CE1 4.15Å; I197-Y259 HydrophobicContact CD1-CE2 4.25Å; I197-Y259 HydrophobicContact CG1-CD1 4.23Å; I197-Y259 HydrophobicContact CG1-CE1 3.69Å; I200-Y259 HydrophobicContact CD1-CE1 4.38Å; F255-Y259 AromaticContact CD2-CD2 3.8Å; F255-Y259 HydrophobicContact CD2-CD2 3.8Å; F255-Y259 AromaticContact CD2-CE2 3.84Å; F255-Y259 HydrophobicContact CD2-CE2 3.84Å; F255-Y259 AromaticContact CE2-CD2 3.45Å; F255-Y259 HydrophobicContact CE2-CD2 3.45Å; F255-Y259 VanDerWaalsContact CE2-CD2 3.45Å; F255-Y259 AromaticContact CE2-CE2 3.23Å; F255-Y259 HydrophobicContact CE2-CE2 3.23Å; F255-Y259 HydrophobicContact CE2-CG 4.28Å; F255-Y259 AromaticContact CE2-CZ 3.9Å; F255-Y259 AromaticContact CZ-CD2 3.95Å; F255-Y259 HydrophobicContact CZ-CD2 3.95Å; F255-Y259 AromaticContact CZ-CE2 3.95Å; F255-Y259 HydrophobicContact CZ-CE2 3.95Å; F255-Y259 HydrophobicContact CZ-CG 4.34Å; F255-Y259 PolarHBondContact O-N 3.27Å; D257-Y259 PolarHBondContact O-N 2.87Å; Y259-H262 CarbonylContact O-C 3.43Å; Y259-H262 WeakPolarHBondContact O-CA 3.49Å; Y259-H262 WeakPolarHBondContact O-CB 3.26Å; Y259-H262 PolarHBondContact O-N 3.47Å; Y259-H262 VanDerWaalsContact O-N 3.15Å; Y259-K263 PolarHBondContact O-N 3.28Å; Y259-L264 CarbonylContact C-O 3.59Å; Y259-L264 HydrophobicContact CD1-CB 4.1Å; Y259-L264 HydrophobicContact CD1-CD1 3.78Å; Y259-L264 HydrophobicContact CE1-CD1 4.11Å; Y259-L264 PolarHBondContact O-N 2.83Å; Y259-F266 AromaticContact CD1-CE2 3.6Å; Y259-F266 HydrophobicContact CD1-CE2 3.6Å; Y259-F266 AromaticContact CD1-CZ 3.76Å; Y259-F266 HydrophobicContact CD1-CZ 3.76Å; Y259-F266 HydrophobicContact CE1-CE2 4.38Å; Y259-F266 HydrophobicContact CE1-CZ 4.09Å; Y259-F266 AromaticContact CG-CE2 3.69Å; Y259-F266 HydrophobicContact CG-CE2 3.69Å; Y259-F266 HydrophobicContact CG-CZ 4.18Å
260	A	98.9	Very high	98.9	Very high	47 Å²	47	44.8 Å²	44.8	39%	0.388	21%	0.212	S	C	.	.	H	α-helix	trans	-68.2	-33.9	174.1	0	0	0	0	0	112.7	L256 D257 A258 H262 K263 L264	L256-A260 WeakPolarHBondContact O-CB 3.44Å; L256-A260 PolarHBondContact O-N 2.82Å; D257-A260 WeakPolarHBondContact O-CB 3.45Å; D257-A260 PolarHBondContact O-N 2.9Å; D257-A260 VanDerWaalsContact O-N 3.1Å; A258-A260 VanDerWaalsContact C-N 3.29Å; A258-A260 PolarHBondContact O-N 3.42Å; A260-H262 PolarHBondContact O-N 3.22Å; A260-K263 WeakPolarHBondContact O-CA 3.33Å; A260-K263 PolarHBondContact O-N 3.43Å; A260-L264 WeakPolarHBondContact CA-O 3.43Å
261	E	98.8	Very high	98.9	Very high	159 Å²	159	40.2 Å²	40.2	74%	0.743	20%	0.195	S	C	*	.	H	α-helix	trans	-59.8	-33.2	169.9	-68.4	176.8	-170.4	0	0	111.5	D257 A258 K263	D257-E261 PolarHBondContact O-N 3.5Å; A258-E261 WeakPolarHBondContact O-CB 3.34Å; A258-E261 PolarHBondContact O-N 2.97Å; E261-K263 PolarHBondContact O-N 3.32Å
262	H	98.8	Very high	98.9	Very high	69 Å²	69	40.2 Å²	40.2	32%	0.319	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	12.2	171.1	-71.3	-85.5	0	0	0	114.1	I197 H201 A258 Y259 A260 L264	I197-H262 HydrophobicContact CD1-CB 4.1Å; I197-H262 HydrophobicContact CG2-CB 3.85Å; H201-H262 PolarHBondContact CE1-O 3.07Å; H201-H262 PolarHBondContact NE2-O 2.93Å; A258-H262 PolarHBondContact O-CD2 2.85Å; A258-H262 VanDerWaalsContact O-CD2 3.29Å; A258-H262 PolarHBondContact O-N 3.34Å; Y259-H262 CarbonylContact O-C 3.43Å; Y259-H262 WeakPolarHBondContact O-CA 3.49Å; Y259-H262 WeakPolarHBondContact O-CB 3.26Å; Y259-H262 PolarHBondContact O-N 3.47Å; Y259-H262 VanDerWaalsContact O-N 3.15Å; A260-H262 PolarHBondContact O-N 3.22Å; H262-L264 VanDerWaalsContact C-N 3.27Å; H262-L264 PolarHBondContact O-N 3.4Å
263	K	98.8	Very high	98.9	Very high	186 Å²	186	40.5 Å²	40.5	81%	0.809	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	30.5	178.1	-51.7	177.4	-178.8	177.5	0	114.1	Y259 A260 E261	Y259-K263 PolarHBondContact O-N 3.28Å; A260-K263 WeakPolarHBondContact O-CA 3.33Å; A260-K263 PolarHBondContact O-N 3.43Å; E261-K263 PolarHBondContact O-N 3.32Å
264	L	98.8	Very high	98.9	Very high	3 Å²	3	40 Å²	40	2%	0.016	19%	0.193	C	C	.	.			trans	-108.7	133.4	172.6	-65.4	177.3	0	0	0	109.5	I197 I200 L204 L213 Y259 A260 H262	I197-L264 HydrophobicContact CB-CD1 4.3Å; I197-L264 HydrophobicContact CG1-CD1 4.08Å; I197-L264 HydrophobicContact CG2-CD1 3.97Å; I200-L264 HydrophobicContact CB-CD1 4.19Å; I200-L264 HydrophobicContact CD1-CD1 4.35Å; I200-L264 HydrophobicContact CG2-CD1 3.91Å; I200-L264 HydrophobicContact CG2-CD2 3.69Å; I200-L264 HydrophobicContact CG2-CG 4.46Å; L204-L264 HydrophobicContact CD1-CD2 3.65Å; L213-L264 HydrophobicContact CD1-CB 3.99Å; L213-L264 HydrophobicContact CD1-CD2 4.26Å; Y259-L264 CarbonylContact C-O 3.59Å; Y259-L264 HydrophobicContact CD1-CB 4.1Å; Y259-L264 HydrophobicContact CD1-CD1 3.78Å; Y259-L264 HydrophobicContact CE1-CD1 4.11Å; Y259-L264 PolarHBondContact O-N 2.83Å; A260-L264 WeakPolarHBondContact CA-O 3.43Å; H262-L264 VanDerWaalsContact C-N 3.27Å; H262-L264 PolarHBondContact O-N 3.4Å
265	Q	98.8	Very high	98.8	Very high	152 Å²	152	35.9 Å²	35.9	71%	0.71	18%	0.175	S	C	*	.			trans	-119.7	133.6	-179.9	-170.4	179.6	-0.3	0	0	110
266	F	98.9	Very high	98.8	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.044	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	141.2	177.8	-75.1	-93	0	0	0	112.1	V160 L213 A215 F255 L256 Y259 V315	V160-F266 HydrophobicContact CB-CE1 4.06Å; V160-F266 HydrophobicContact CB-CZ 4.25Å; V160-F266 HydrophobicContact CG1-CZ 4.5Å; V160-F266 HydrophobicContact CG2-CE1 4.16Å; V160-F266 HydrophobicContact CG2-CZ 4.38Å; L213-F266 HydrophobicContact CB-CD1 3.57Å; L213-F266 HydrophobicContact CB-CE1 3.7Å; L213-F266 HydrophobicContact CB-CG 4.16Å; L213-F266 HydrophobicContact CB-CZ 4.38Å; L213-F266 HydrophobicContact CD1-CZ 4.48Å; A215-F266 HydrophobicContact CB-CD1 3.62Å; A215-F266 HydrophobicContact CB-CE1 3.36Å; A215-F266 HydrophobicContact CB-CG 4.49Å; A215-F266 HydrophobicContact CB-CZ 4.06Å; F255-F266 HydrophobicContact CE1-CD2 4.14Å; F255-F266 HydrophobicContact CE1-CE1 4.11Å; F255-F266 AromaticContact CE1-CE2 3.61Å; F255-F266 HydrophobicContact CE1-CE2 3.61Å; F255-F266 AromaticContact CE1-CZ 3.61Å; F255-F266 HydrophobicContact CE1-CZ 3.61Å; F255-F266 HydrophobicContact CZ-CE1 4.06Å; F255-F266 AromaticContact CZ-CE2 3.71Å; F255-F266 HydrophobicContact CZ-CE2 3.71Å; F255-F266 AromaticContact CZ-CZ 3.36Å; F255-F266 HydrophobicContact CZ-CZ 3.36Å; L256-F266 HydrophobicContact CD2-CB 3.82Å; L256-F266 HydrophobicContact CD2-CD2 3.55Å; L256-F266 HydrophobicContact CD2-CE2 4.39Å; L256-F266 HydrophobicContact CD2-CG 3.82Å; Y259-F266 AromaticContact CD1-CE2 3.6Å; Y259-F266 HydrophobicContact CD1-CE2 3.6Å; Y259-F266 AromaticContact CD1-CZ 3.76Å; Y259-F266 HydrophobicContact CD1-CZ 3.76Å; Y259-F266 HydrophobicContact CE1-CE2 4.38Å; Y259-F266 HydrophobicContact CE1-CZ 4.09Å; Y259-F266 AromaticContact CG-CE2 3.69Å; Y259-F266 HydrophobicContact CG-CE2 3.69Å; Y259-F266 HydrophobicContact CG-CZ 4.18Å; F266-V315 HydrophobicContact CB-CG1 4.3Å; F266-V315 HydrophobicContact CB-CG2 4.36Å
267	W	98.9	Very high	98.8	Very high	40 Å²	40	37.2 Å²	37.2	15%	0.152	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-43.2	166.1	159.1	55.2	0	0	0	110.3	K118 L213 R316 L318 M374 F376	K118-W267 HydrophobicContact CD-CD2 4.37Å; K118-W267 HydrophobicContact CD-CH2 4.2Å; K118-W267 HydrophobicContact CD-CZ2 3.77Å; K118-W267 VanDerWaalsContact CE-CD2 3.41Å; K118-W267 HydrophobicContact CG-CH2 3.76Å; K118-W267 HydrophobicContact CG-CZ2 3.8Å; K118-W267 HydrophobicContact CG-CZ3 4.26Å; K118-W267 VanDerWaalsContact NZ-CD1 3.32Å; L213-W267 WeakPolarHBondContact O-CB 3.37Å; L213-W267 PolarHBondContact O-N 3.42Å; W267-R316 PolarHBondContact O-N 3.24Å; W267-L318 HydrophobicContact CH2-CD1 4.46Å; W267-M374 HydrophobicContact CH2-CE 3.71Å; W267-M374 HydrophobicContact CZ2-CE 3.53Å; W267-F376 HydrophobicContact CH2-CD2 4.03Å; W267-F376 AromaticContact CH2-CE2 3.99Å; W267-F376 HydrophobicContact CH2-CE2 3.99Å; W267-F376 HydrophobicContact CH2-CG 4.37Å; W267-F376 HydrophobicContact CH2-CZ 4.3Å; W267-F376 HydrophobicContact CZ3-CE1 4.4Å; W267-F376 HydrophobicContact CZ3-CE2 4.16Å; W267-F376 HydrophobicContact CZ3-CZ 4.06Å
268	A	98.9	Very high	98.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	160.5	-175	0	0	0	0	0	112.4	L213 L214 A215 R316 L318	L213-A268 PolarHBondContact O-N 3.31Å; L214-A268 CarbonylContact C-O 3.57Å; L214-A268 WeakPolarHBondContact CA-O 3.44Å; L214-A268 HydrophobicContact CD1-CB 3.7Å; A215-A268 PolarHBondContact N-O 2.97Å; A268-R316 CarbonylContact C-O 3.44Å; A268-R316 WeakPolarHBondContact CA-O 3.41Å; A268-R316 HydrophobicContact CB-CB 3.97Å; A268-R316 WeakPolarHBondContact CB-O 3.06Å; A268-L318 HydrophobicContact CB-CD1 4.33Å; A268-L318 HydrophobicContact CB-CG 4.27Å
269	V	98.9	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152	164	-64.1	0	0	0	0	109.4	A215 F252 L256 L307 V315 R316 L317 L318	A215-V269 HydrophobicContact CB-CG1 3.9Å; A215-V269 CarbonylContact O-C 3.04Å; A215-V269 WeakPolarHBondContact O-CA 3.44Å; F252-V269 HydrophobicContact CD1-CB 4.31Å; F252-V269 HydrophobicContact CD1-CG2 4.21Å; F252-V269 HydrophobicContact CE1-CB 4.36Å; F252-V269 HydrophobicContact CE1-CG2 4.41Å; L256-V269 HydrophobicContact CD2-CG1 4.25Å; V269-L307 HydrophobicContact CG2-CD1 4.19Å; V269-V315 HydrophobicContact CG1-CG1 4.02Å; V269-V315 HydrophobicContact CG2-CG1 4.29Å; V269-R316 PolarHBondContact N-O 2.86Å; V269-L317 HydrophobicContact CG2-CD1 4.01Å; V269-L317 WeakPolarHBondContact O-CA 3.24Å; V269-L318 PolarHBondContact O-N 3.04Å
270	T	98.9	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	150.6	166.9	72.6	0	0	0	0	110.3	L214 A215 S216 F252 E272 L318 D321 A348	L214-T270 HydrophobicContact CD1-CG2 3.85Å; L214-T270 HydrophobicContact CG-CG2 4.46Å; A215-T270 PolarHBondContact O-N 3.12Å; S216-T270 WeakPolarHBondContact CB-OG1 3.14Å; S216-T270 WeakPolarHBondContact OG-CG2 3.48Å; S216-T270 PolarHBondContact OG-OG1 2.85Å; F252-T270 WeakPolarHBondContact CE1-O 3.43Å; T270-E272 VanDerWaalsContact C-N 3.28Å; T270-E272 PolarHBondContact O-N 3.3Å; T270-L318 CarbonylContact C-O 3.43Å; T270-L318 VanDerWaalsContact CA-O 3.29Å; T270-L318 WeakPolarHBondContact CA-O 3.33Å; T270-L318 HydrophobicContact CG2-CB 4.2Å; T270-L318 HydrophobicContact CG2-CD1 4.49Å; T270-D321 VanDerWaalsContact CB-OD2 3.25Å; T270-D321 WeakPolarHBondContact CB-OD2 3.41Å; T270-D321 HydrophobicContact CG2-CB 3.92Å; T270-D321 VanDerWaalsContact CG2-CG 3.48Å; T270-D321 WeakPolarHBondContact CG2-OD2 3.07Å; T270-D321 PolarHBondContact OG1-OD2 3.49Å; T270-A348 HydrophobicContact CG2-CB 4.16Å
271	A	98.9	Very high	98.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	22%	0.223	C	C	.	.	S	Bend	trans	-65.7	-31.9	-176.1	0	0	0	0	0	113.1	Q295 I299 L303 L317 L318	A271-Q295 HydrophobicContact CB-CG 4.2Å; A271-I299 HydrophobicContact CB-CD1 4.2Å; A271-I299 HydrophobicContact CB-CG1 4.49Å; A271-L303 HydrophobicContact CB-CD2 4.41Å; A271-L317 HydrophobicContact CB-CD1 4.24Å; A271-L318 PolarHBondContact N-O 2.91Å
272	E	98.9	Very high	98.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.221	C	C	.	.			trans	-172.5	140.3	177.1	176.7	56.2	-151.2	0	0	108	W218 T270 P275 L288 F290 D321	W218-E272 VanDerWaalsContact C-OE1 3.29Å; T270-E272 VanDerWaalsContact C-N 3.28Å; T270-E272 PolarHBondContact O-N 3.3Å; E272-P275 HydrophobicContact CB-CB 4.18Å; E272-P275 HydrophobicContact CG-CB 4.02Å; E272-P275 WeakPolarHBondContact O-CD 3.31Å; E272-L288 HydrophobicContact CG-CB 4.39Å; E272-L288 WeakPolarHBondContact CG-O 3.24Å; E272-L288 WeakPolarHBondContact OE1-CB 3.2Å; E272-L288 PolarHBondContact OE1-N 2.78Å; E272-F290 HydrophobicContact CB-CD2 4.05Å; E272-F290 HydrophobicContact CB-CE2 4Å; E272-F290 HydrophobicContact CG-CD2 3.95Å; E272-F290 HydrophobicContact CG-CE2 3.95Å; E272-D321 WeakPolarHBondContact O-CB 2.94Å
273	N	98.8	Very high	98.3	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.027	21%	0.213	C	C	.	.	S	Bend	trans	-73.3	123	168.6	174.2	91.2	0	0	0	110.5	R159 P217 W218 E379	R159-N273 PolarHBondContact NH2-OD1 3.44Å; P217-N273 WeakPolarHBondContact O-CB 3.39Å; P217-N273 PolarHBondContact O-N 3.2Å; W218-N273 HydrophobicContact CD2-CB 4.07Å; W218-N273 HydrophobicContact CE3-CB 4.47Å; W218-N273 HydrophobicContact CG-CB 4.28Å; W218-N273 HydrophobicContact CZ2-CB 4.32Å; W218-N273 WeakPolarHBondContact CZ2-OD1 3.3Å; W218-N273 PolarHBondContact NE1-ND2 2.67Å; W218-N273 VanDerWaalsContact NE1-ND2 3.15Å; N273-E379 PolarHBondContact OD1-OE2 2.83Å
274	E	98.4	Very high	98.3	Very high	13 Å²	13	34 Å²	34	6%	0.061	20%	0.202	C	C	.	.	S	Bend	trans	47.1	57.5	176.3	-58.1	-167.5	166	0	0	114	S276 A277 Y283 D321 D322 H350	E274-S276 PolarHBondContact O-N 3.15Å; E274-A277 HydrophobicContact CB-CB 4.11Å; E274-A277 WeakPolarHBondContact O-CB 3.35Å; E274-A277 PolarHBondContact O-N 3.25Å; E274-Y283 PolarHBondContact OE2-OH 2.77Å; E274-D321 WeakPolarHBondContact CA-O 3.25Å; E274-D321 PolarHBondContact N-O 2.81Å; E274-D322 VanDerWaalsContact C-OD2 3.27Å; E274-D322 VanDerWaalsContact CA-OD2 3.32Å; E274-D322 WeakPolarHBondContact CA-OD2 3.41Å; E274-H350 WeakPolarHBondContact CG-ND1 3.31Å; E274-H350 IonicContact OE1-CE1 2.79Å; E274-H350 IonicContact OE1-ND1 2.88Å; E274-H350 PolarHBondContact OE1-ND1 2.87Å
275	P	98.7	Very high	98.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-23.4	-178.3	21.2	-35.5	0	0	0	114.2	E272 A277 G289 F290 L320 W330	E272-P275 HydrophobicContact CB-CB 4.18Å; E272-P275 HydrophobicContact CG-CB 4.02Å; E272-P275 WeakPolarHBondContact O-CD 3.31Å; P275-A277 VanDerWaalsContact C-N 3.3Å; P275-G289 WeakPolarHBondContact O-CA 3.37Å; P275-F290 HydrophobicContact CB-CB 3.9Å; P275-F290 HydrophobicContact CB-CD2 4.11Å; P275-F290 HydrophobicContact CB-CG 4.5Å; P275-F290 PolarHBondContact O-N 3.33Å; P275-L320 WeakPolarHBondContact CD-O 3.46Å; P275-L320 VanDerWaalsContact CG-O 3.29Å; P275-L320 WeakPolarHBondContact CG-O 3.27Å; P275-W330 HydrophobicContact CB-CH2 3.69Å; P275-W330 HydrophobicContact CB-CZ2 4.21Å; P275-W330 HydrophobicContact CG-CH2 3.28Å; P275-W330 HydrophobicContact CG-CZ2 3.92Å; P275-W330 HydrophobicContact CG-CZ3 3.81Å
276	S	98.6	Very high	98.2	Very high	27 Å²	27	29.6 Å²	29.6	19%	0.189	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-25.3	175.4	71.8	0	0	0	0	113	E274 L279 D322	E274-S276 PolarHBondContact O-N 3.15Å; S276-L279 VanDerWaalsContact O-CB 3.32Å; S276-L279 WeakPolarHBondContact O-CB 3.33Å; S276-L279 PolarHBondContact O-N 3.31Å; S276-L279 VanDerWaalsContact O-N 3.13Å; S276-D322 WeakPolarHBondContact CB-OD2 3.33Å; S276-D322 PolarHBondContact N-OD2 3.41Å; S276-D322 PolarHBondContact OG-OD1 2.76Å; S276-D322 PolarHBondContact OG-OD2 2.57Å
277	A	97.8	Very high	98.2	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.033	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-63.3	-43.4	-178.8	0	0	0	0	0	112.5	E274 P275 L279 L280 Y283 C287	E274-A277 HydrophobicContact CB-CB 4.11Å; E274-A277 WeakPolarHBondContact O-CB 3.35Å; E274-A277 PolarHBondContact O-N 3.25Å; P275-A277 VanDerWaalsContact C-N 3.3Å; A277-L279 PolarHBondContact O-N 2.88Å; A277-L279 VanDerWaalsContact O-N 3.08Å; A277-L280 WeakPolarHBondContact O-CB 3.39Å; A277-L280 PolarHBondContact O-N 2.9Å; A277-Y283 HydrophobicContact CB-CD1 4.06Å; A277-Y283 HydrophobicContact CB-CD2 4.09Å; A277-Y283 HydrophobicContact CB-CE1 3.63Å; A277-Y283 HydrophobicContact CB-CE2 3.71Å; A277-Y283 HydrophobicContact CB-CG 4.24Å; A277-Y283 VanDerWaalsContact CB-CZ 3.44Å; A277-C287 HydrophobicContact CB-CB 4.11Å
278	G	98.1	Very high	98.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-68.6	-4.3	176.9	0	0	0	0	0	114.2	K233 G234	K233-G278 VanDerWaalsContact CA-O 3.3Å; K233-G278 WeakPolarHBondContact CA-O 3.45Å; G234-G278 PolarHBondContact N-O 2.94Å
279	L	98.3	Very high	98.2	Very high	58 Å²	58	27.4 Å²	27.4	30%	0.304	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-86.5	-11.5	170.3	-53.5	-179	0	0	0	112.7	K233 S276 A277 T291	K233-L279 PolarHBondContact NZ-O 2.79Å; S276-L279 VanDerWaalsContact O-CB 3.32Å; S276-L279 WeakPolarHBondContact O-CB 3.33Å; S276-L279 PolarHBondContact O-N 3.31Å; S276-L279 VanDerWaalsContact O-N 3.13Å; A277-L279 PolarHBondContact O-N 2.88Å; A277-L279 VanDerWaalsContact O-N 3.08Å; L279-T291 HydrophobicContact CD1-CG2 4.31Å; L279-T291 HydrophobicContact CD2-CG2 4.42Å
280	L	97.5	Very high	98.2	Very high	100 Å²	100	27.5 Å²	27.5	52%	0.524	17%	0.173	S	C	.	.	S	Bend	trans	-92.7	126.3	-177.2	-57.8	177.1	0	0	0	111.8	K233 A277 G282 Y283	K233-L280 PolarHBondContact N-O 3.4Å; A277-L280 WeakPolarHBondContact O-CB 3.39Å; A277-L280 PolarHBondContact O-N 2.9Å; L280-G282 PolarHBondContact O-N 3.17Å; L280-Y283 HydrophobicContact CB-CD2 4.5Å; L280-Y283 HydrophobicContact CD1-CD2 4.25Å; L280-Y283 PolarHBondContact O-N 2.96Å
281	S	96.5	Very high	98.2	Very high	104 Å²	104	30.1 Å²	30.1	73%	0.727	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	130.8	174.2	-62	0	0	0	0	110.9	Y283	S281-Y283 VanDerWaalsContact C-N 3.33Å
282	G	95.8	Very high	98.2	Very high	68 Å²	68	30.7 Å²	30.7	70%	0.701	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	18.8	179	0	0	0	0	0	114.8	L280	L280-G282 PolarHBondContact O-N 3.17Å
283	Y	97.8	Very high	98.2	Very high	37 Å²	37	34.1 Å²	34.1	15%	0.145	21%	0.209	C	C	.	.			trans	-55.4	129.1	171.4	-162.3	-104.1	0	0	0	110.8	G232 E274 A277 L280 S281 F285 C287	G232-Y283 WeakPolarHBondContact CA-O 3.5Å; G232-Y283 PolarHBondContact N-O 3.04Å; E274-Y283 PolarHBondContact OE2-OH 2.77Å; A277-Y283 HydrophobicContact CB-CD1 4.06Å; A277-Y283 HydrophobicContact CB-CD2 4.09Å; A277-Y283 HydrophobicContact CB-CE1 3.63Å; A277-Y283 HydrophobicContact CB-CE2 3.71Å; A277-Y283 HydrophobicContact CB-CG 4.24Å; A277-Y283 VanDerWaalsContact CB-CZ 3.44Å; L280-Y283 HydrophobicContact CB-CD2 4.5Å; L280-Y283 HydrophobicContact CD1-CD2 4.25Å; L280-Y283 PolarHBondContact O-N 2.96Å; S281-Y283 VanDerWaalsContact C-N 3.33Å; Y283-F285 HydrophobicContact CD1-CD2 4.32Å; Y283-F285 HydrophobicContact CD1-CE2 4.4Å; Y283-F285 WeakPolarHBondContact CD1-O 3.13Å; Y283-F285 HydrophobicContact CE1-CD1 4.31Å; Y283-F285 AromaticContact CE1-CD2 3.52Å; Y283-F285 HydrophobicContact CE1-CD2 3.52Å; Y283-F285 HydrophobicContact CE1-CE1 4.05Å; Y283-F285 AromaticContact CE1-CE2 3.25Å; Y283-F285 HydrophobicContact CE1-CE2 3.25Å; Y283-F285 HydrophobicContact CE1-CG 4.06Å; Y283-F285 AromaticContact CE1-CZ 3.54Å; Y283-F285 HydrophobicContact CE1-CZ 3.54Å; Y283-F285 HydrophobicContact CE2-CZ 4.46Å; Y283-F285 AromaticContact CZ-CE1 3.97Å; Y283-F285 AromaticContact CZ-CE2 3.56Å; Y283-F285 AromaticContact CZ-CZ 3.39Å; Y283-F285 PolarHBondContact O-N 2.89Å; Y283-F285 VanDerWaalsContact OH-CE2 3.25Å; Y283-F285 WeakPolarHBondContact OH-CE2 2.91Å; Y283-F285 WeakPolarHBondContact OH-CZ 3.46Å; Y283-C287 HydrophobicContact CD1-CB 3.74Å; Y283-C287 VanDerWaalsContact CD1-SG 3.53Å; Y283-C287 HydrophobicContact CE1-CB 4Å
284	P	97.3	Very high	98.2	Very high	90 Å²	90	35.5 Å²	35.5	58%	0.584	22%	0.215	S	C	*	.			trans	-81.4	-20.3	-157.9	26.4	-31.8	0	0	0	115.3	N231	N231-P284 PolarHBondContact ND2-O 3.45Å
285	F	97.7	Very high	98.2	Very high	51 Å²	51	34.9 Å²	34.9	22%	0.224	21%	0.212	C	C	.	.	S	Bend	trans	-134.3	-177.6	-175.3	54.2	-102.8	0	0	0	111.7	D166 N231 Y283 C287	D166-F285 HydrophobicContact CB-CB 3.88Å; D166-F285 HydrophobicContact CB-CD1 3.94Å; D166-F285 HydrophobicContact CB-CD2 3.81Å; D166-F285 HydrophobicContact CB-CE1 4.4Å; D166-F285 HydrophobicContact CB-CE2 4.24Å; D166-F285 HydrophobicContact CB-CG 3.63Å; N231-F285 WeakPolarHBondContact CA-O 3.38Å; N231-F285 VanDerWaalsContact CB-C 3.42Å; N231-F285 WeakPolarHBondContact CB-O 3.46Å; Y283-F285 HydrophobicContact CD1-CD2 4.32Å; Y283-F285 HydrophobicContact CD1-CE2 4.4Å; Y283-F285 WeakPolarHBondContact CD1-O 3.13Å; Y283-F285 HydrophobicContact CE1-CD1 4.31Å; Y283-F285 AromaticContact CE1-CD2 3.52Å; Y283-F285 HydrophobicContact CE1-CD2 3.52Å; Y283-F285 HydrophobicContact CE1-CE1 4.05Å; Y283-F285 AromaticContact CE1-CE2 3.25Å; Y283-F285 HydrophobicContact CE1-CE2 3.25Å; Y283-F285 HydrophobicContact CE1-CG 4.06Å; Y283-F285 AromaticContact CE1-CZ 3.54Å; Y283-F285 HydrophobicContact CE1-CZ 3.54Å; Y283-F285 HydrophobicContact CE2-CZ 4.46Å; Y283-F285 AromaticContact CZ-CE1 3.97Å; Y283-F285 AromaticContact CZ-CE2 3.56Å; Y283-F285 AromaticContact CZ-CZ 3.39Å; Y283-F285 PolarHBondContact O-N 2.89Å; Y283-F285 VanDerWaalsContact OH-CE2 3.25Å; Y283-F285 WeakPolarHBondContact OH-CE2 2.91Å; Y283-F285 WeakPolarHBondContact OH-CZ 3.46Å; F285-C287 PolarHBondContact O-N 3.13Å
286	Q	98.7	Very high	98.2	Very high	12 Å²	12	37.8 Å²	37.8	6%	0.056	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-51.7	125.2	-172.5	-64.1	92.4	-72.6	0	0	112.4	S164 C165 W218 T219 V230	S164-Q286 PolarHBondContact O-NE2 2.79Å; S164-Q286 PolarHBondContact OG-NE2 2.91Å; C165-Q286 VanDerWaalsContact CA-NE2 3.32Å; C165-Q286 PolarHBondContact O-NE2 2.96Å; W218-Q286 HydrophobicContact CB-CB 3.69Å; W218-Q286 HydrophobicContact CG-CB 4.47Å; W218-Q286 CarbonylContact O-C 3.57Å; T219-Q286 HydrophobicContact CG2-CB 3.83Å; T219-Q286 HydrophobicContact CG2-CG 3.82Å; V230-Q286 HydrophobicContact CB-CG 4.07Å; V230-Q286 HydrophobicContact CG2-CG 4.29Å; V230-Q286 CarbonylContact O-C 3.56Å; V230-Q286 WeakPolarHBondContact O-CA 3.41Å
287	C	98.6	Very high	98.2	Very high	4 Å²	4	38 Å²	38	3%	0.027	22%	0.222	C	C	.	.			trans	-155.2	148.5	177.2	59.7	0	0	0	0	111.4	W218 V230 G232 A277 Y283 F285	W218-C287 CarbonylContact O-C 3.46Å; W218-C287 WeakPolarHBondContact O-CA 3.14Å; W218-C287 PolarHBondContact O-N 3Å; W218-C287 VanDerWaalsContact O-N 3.13Å; V230-C287 PolarHBondContact O-N 3.25Å; G232-C287 PolarHBondContact O-SG 2.79Å; A277-C287 HydrophobicContact CB-CB 4.11Å; Y283-C287 HydrophobicContact CD1-CB 3.74Å; Y283-C287 VanDerWaalsContact CD1-SG 3.53Å; Y283-C287 HydrophobicContact CE1-CB 4Å; F285-C287 PolarHBondContact O-N 3.13Å
288	L	98.8	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.221	C	C	.	.			trans	-126.8	118.8	167.6	-175.6	64.8	0	0	0	110.5	W218 S220 L236 W248 E272 F290	W218-L288 PolarHBondContact O-N 2.81Å; W218-L288 VanDerWaalsContact O-N 3.13Å; S220-L288 WeakPolarHBondContact OG-CD1 3.45Å; S220-L288 WeakPolarHBondContact OG-CD2 3.19Å; L236-L288 HydrophobicContact CD2-CD1 4.29Å; L236-L288 HydrophobicContact CD2-CD2 4.07Å; L236-L288 HydrophobicContact CG-CD1 4.26Å; L236-L288 HydrophobicContact CG-CD2 4.08Å; W248-L288 HydrophobicContact CZ2-CD2 4.18Å; E272-L288 HydrophobicContact CG-CB 4.39Å; E272-L288 WeakPolarHBondContact CG-O 3.24Å; E272-L288 WeakPolarHBondContact OE1-CB 3.2Å; E272-L288 PolarHBondContact OE1-N 2.78Å; L288-F290 HydrophobicContact CB-CE2 4.22Å; L288-F290 HydrophobicContact CD2-CE2 3.54Å; L288-F290 HydrophobicContact CD2-CZ 3.71Å; L288-F290 HydrophobicContact CG-CD2 4.38Å; L288-F290 HydrophobicContact CG-CE2 3.55Å; L288-F290 HydrophobicContact CG-CZ 4.01Å; L288-F290 WeakPolarHBondContact O-CD2 3.34Å
289	G	98.8	Very high	98.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.			trans	-80.7	127.4	-171	0	0	0	0	0	113.3	G234 S235 P275	G234-G289 VanDerWaalsContact O-CA 3.29Å; G234-G289 WeakPolarHBondContact O-CA 3.31Å; G234-G289 PolarHBondContact O-N 3.33Å; S235-G289 WeakPolarHBondContact CB-O 3.21Å; P275-G289 WeakPolarHBondContact O-CA 3.37Å
290	F	98.9	Very high	98.4	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	21%	0.211	C	C	.	.			trans	-132.1	134.8	167.6	-62.7	-94.5	0	0	0	110.8	L236 E272 P275 L288 H294 Q295 F298 W330	L236-F290 HydrophobicContact CD1-CE1 3.98Å; L236-F290 HydrophobicContact CD1-CZ 3.82Å; L236-F290 HydrophobicContact CG-CE1 4.47Å; L236-F290 HydrophobicContact CG-CZ 4.16Å; E272-F290 HydrophobicContact CB-CD2 4.05Å; E272-F290 HydrophobicContact CB-CE2 4Å; E272-F290 HydrophobicContact CG-CD2 3.95Å; E272-F290 HydrophobicContact CG-CE2 3.95Å; P275-F290 HydrophobicContact CB-CB 3.9Å; P275-F290 HydrophobicContact CB-CD2 4.11Å; P275-F290 HydrophobicContact CB-CG 4.5Å; P275-F290 PolarHBondContact O-N 3.33Å; L288-F290 HydrophobicContact CB-CE2 4.22Å; L288-F290 HydrophobicContact CD2-CE2 3.54Å; L288-F290 HydrophobicContact CD2-CZ 3.71Å; L288-F290 HydrophobicContact CG-CD2 4.38Å; L288-F290 HydrophobicContact CG-CE2 3.55Å; L288-F290 HydrophobicContact CG-CZ 4.01Å; L288-F290 WeakPolarHBondContact O-CD2 3.34Å; F290-H294 HydrophobicContact CB-CB 4.41Å; F290-H294 HydrophobicContact CD1-CB 4.15Å; F290-H294 AromaticContact CD1-CD2 3.7Å; F290-H294 AromaticContact CD1-CE1 3.96Å; F290-H294 AromaticContact CD1-CG 3.62Å; F290-H294 AromaticContact CD1-ND1 3.82Å; F290-H294 AromaticContact CD1-NE2 3.89Å; F290-H294 AromaticContact CE1-CD2 3.99Å; F290-H294 AromaticContact CE1-NE2 3.82Å; F290-Q295 HydrophobicContact CB-CB 4.17Å; F290-F298 HydrophobicContact CE1-CB 4.37Å; F290-F298 HydrophobicContact CE1-CD1 4.21Å; F290-F298 HydrophobicContact CE1-CG 4.3Å; F290-F298 HydrophobicContact CZ-CD1 4.43Å; F290-W330 WeakPolarHBondContact O-CZ2 3Å
291	T	98.9	Very high	98.4	Very high	54 Å²	54	37.3 Å²	37.3	33%	0.331	21%	0.21	S	C	.	.			trans	-74.2	162.2	158.3	80.7	0	0	0	0	108.9	L279 E293 H294 Q295	L279-T291 HydrophobicContact CD1-CG2 4.31Å; L279-T291 HydrophobicContact CD2-CG2 4.42Å; T291-E293 VanDerWaalsContact CB-OE2 3.32Å; T291-E293 WeakPolarHBondContact CB-OE2 3.39Å; T291-E293 PolarHBondContact O-N 3.09Å; T291-E293 PolarHBondContact OG1-N 2.81Å; T291-E293 PolarHBondContact OG1-OE2 2.93Å; T291-H294 PolarHBondContact O-N 3.01Å; T291-H294 VanDerWaalsContact O-N 3.12Å; T291-H294 PolarHBondContact OG1-N 2.88Å; T291-Q295 PolarHBondContact O-N 3.37Å
292	P	98.9	Very high	98.5	Very high	13 Å²	13	32.4 Å²	32.4	8%	0.084	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-30.7	177	21.8	-30.1	0	0	0	112.9	R296 W330 V333	P292-R296 WeakPolarHBondContact O-CB 3.39Å; P292-R296 PolarHBondContact O-N 2.88Å; P292-W330 HydrophobicContact CB-CD2 3.73Å; P292-W330 HydrophobicContact CB-CE3 4.45Å; P292-W330 HydrophobicContact CB-CG 3.82Å; P292-W330 HydrophobicContact CB-CZ2 4.17Å; P292-W330 HydrophobicContact CG-CG 4.42Å; P292-V333 HydrophobicContact CB-CB 3.81Å; P292-V333 HydrophobicContact CB-CG1 3.76Å; P292-V333 HydrophobicContact CB-CG2 4.17Å; P292-V333 HydrophobicContact CG-CB 4.36Å; P292-V333 HydrophobicContact CG-CG1 4.28Å; P292-V333 HydrophobicContact CG-CG2 4.2Å
293	E	98.9	Very high	98.7	Very high	74 Å²	74	29.1 Å²	29.1	35%	0.346	14%	0.142	S	C	.	.	H	α-helix	trans	-68.9	-41.8	174.4	-57.5	72.2	-157	0	0	111.5	T291 R296 D297 V333	T291-E293 VanDerWaalsContact CB-OE2 3.32Å; T291-E293 WeakPolarHBondContact CB-OE2 3.39Å; T291-E293 PolarHBondContact O-N 3.09Å; T291-E293 PolarHBondContact OG1-N 2.81Å; T291-E293 PolarHBondContact OG1-OE2 2.93Å; E293-R296 WeakPolarHBondContact O-CB 3.32Å; E293-R296 PolarHBondContact O-N 3.21Å; E293-D297 WeakPolarHBondContact O-CB 3.5Å; E293-D297 PolarHBondContact O-N 3.29Å; E293-V333 HydrophobicContact CB-CG1 4.48Å; E293-V333 HydrophobicContact CG-CG1 3.93Å
294	H	98.9	Very high	98.7	Very high	33 Å²	33	27.5 Å²	27.5	15%	0.153	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-44.6	176.4	-167.7	173.6	0	0	0	110.5	H245 F290 T291 R296 D297 F298	H245-H294 AromaticContact CD2-NE2 3.63Å; H245-H294 AromaticContact CE1-NE2 3.93Å; H245-H294 AromaticContact NE2-CD2 3.83Å; H245-H294 AromaticContact NE2-CE1 3.69Å; H245-H294 AromaticContact NE2-NE2 2.82Å; H245-H294 PolarHBondContact NE2-NE2 3.1Å; F290-H294 HydrophobicContact CB-CB 4.41Å; F290-H294 HydrophobicContact CD1-CB 4.15Å; F290-H294 AromaticContact CD1-CD2 3.7Å; F290-H294 AromaticContact CD1-CE1 3.96Å; F290-H294 AromaticContact CD1-CG 3.62Å; F290-H294 AromaticContact CD1-ND1 3.82Å; F290-H294 AromaticContact CD1-NE2 3.89Å; F290-H294 AromaticContact CE1-CD2 3.99Å; F290-H294 AromaticContact CE1-NE2 3.82Å; T291-H294 PolarHBondContact O-N 3.01Å; T291-H294 VanDerWaalsContact O-N 3.12Å; T291-H294 PolarHBondContact OG1-N 2.88Å; H294-R296 PolarHBondContact O-N 3.39Å; H294-D297 PolarHBondContact O-N 3.24Å; H294-F298 VanDerWaalsContact O-CB 3.3Å; H294-F298 WeakPolarHBondContact O-CB 3.23Å; H294-F298 PolarHBondContact O-N 3.44Å
295	Q	98.9	Very high	98.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-43.2	174.8	-174.1	173.5	106.2	0	0	111.6	A271 F290 T291 D297 F298 I299 W330	A271-Q295 HydrophobicContact CB-CG 4.2Å; F290-Q295 HydrophobicContact CB-CB 4.17Å; T291-Q295 PolarHBondContact O-N 3.37Å; Q295-D297 PolarHBondContact O-N 2.84Å; Q295-F298 PolarHBondContact O-N 3.33Å; Q295-I299 HydrophobicContact CG-CD1 3.73Å; Q295-I299 HydrophobicContact CG-CG1 4.21Å; Q295-I299 WeakPolarHBondContact O-CB 3.23Å; Q295-I299 VanDerWaalsContact O-CG1 3.22Å; Q295-I299 WeakPolarHBondContact O-CG1 3.2Å; Q295-I299 PolarHBondContact O-N 3.15Å; Q295-W330 HydrophobicContact CB-CH2 3.82Å; Q295-W330 HydrophobicContact CB-CZ3 4.01Å; Q295-W330 HydrophobicContact CG-CH2 4.34Å; Q295-W330 HydrophobicContact CG-CZ3 4.14Å; Q295-W330 VanDerWaalsContact NE2-CZ3 3.25Å
296	R	98.9	Very high	98.9	Very high	60 Å²	60	23.4 Å²	23.4	23%	0.226	11%	0.114	C	C	.	.	H	α-helix	trans	-53.4	-53.4	174.7	177.1	-161.1	70.5	-157.1	-4.4	111.1	P292 E293 H294 I299 A300 V333 V334 D337 A340	P292-R296 WeakPolarHBondContact O-CB 3.39Å; P292-R296 PolarHBondContact O-N 2.88Å; E293-R296 WeakPolarHBondContact O-CB 3.32Å; E293-R296 PolarHBondContact O-N 3.21Å; H294-R296 PolarHBondContact O-N 3.39Å; R296-I299 PolarHBondContact O-N 3.08Å; R296-A300 WeakPolarHBondContact O-CB 3.47Å; R296-A300 PolarHBondContact O-N 2.89Å; R296-V333 WeakPolarHBondContact CD-O 3.4Å; R296-V334 HydrophobicContact CB-CB 4.4Å; R296-V334 HydrophobicContact CB-CG1 4.48Å; R296-V334 HydrophobicContact CB-CG2 4.03Å; R296-D337 WeakPolarHBondContact CD-OD2 3.41Å; R296-D337 HydrophobicContact CG-CB 3.93Å; R296-D337 IonicContact NE-OD2 3.65Å; R296-A340 HydrophobicContact CG-CB 3.79Å
297	D	98.9	Very high	98.9	Very high	32 Å²	32	23.2 Å²	23.2	17%	0.171	11%	0.114	C	C	.	.	H	α-helix	trans	-70.1	-37.2	-174	-70.4	-15.9	0	0	0	111.7	P240 E293 H294 Q295 A300 R301	P240-D297 HydrophobicContact CB-CB 3.73Å; P240-D297 HydrophobicContact CG-CB 3.68Å; E293-D297 WeakPolarHBondContact O-CB 3.5Å; E293-D297 PolarHBondContact O-N 3.29Å; H294-D297 PolarHBondContact O-N 3.24Å; Q295-D297 PolarHBondContact O-N 2.84Å; D297-A300 PolarHBondContact O-N 3.23Å; D297-R301 VanDerWaalsContact O-CB 3.28Å; D297-R301 WeakPolarHBondContact O-CB 3.49Å; D297-R301 WeakPolarHBondContact O-CG 3.29Å; D297-R301 PolarHBondContact O-N 3.18Å
298	F	98.9	Very high	98.9	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-43.8	172.8	173.4	-121.7	0	0	0	111.8	H245 W248 A249 F290 H294 Q295 D302 L303	H245-F298 HydrophobicContact CB-CD2 4.18Å; H245-F298 HydrophobicContact CB-CE2 4.48Å; H245-F298 AromaticContact CD2-CD2 4Å; W248-F298 HydrophobicContact CB-CE2 4.47Å; W248-F298 AromaticContact CD1-CE1 3.88Å; W248-F298 AromaticContact CD1-CE2 3.86Å; W248-F298 AromaticContact CD1-CZ 3.29Å; W248-F298 HydrophobicContact CG-CZ 4.18Å; A249-F298 HydrophobicContact CB-CE2 4.25Å; F290-F298 HydrophobicContact CE1-CB 4.37Å; F290-F298 HydrophobicContact CE1-CD1 4.21Å; F290-F298 HydrophobicContact CE1-CG 4.3Å; F290-F298 HydrophobicContact CZ-CD1 4.43Å; H294-F298 VanDerWaalsContact O-CB 3.3Å; H294-F298 WeakPolarHBondContact O-CB 3.23Å; H294-F298 PolarHBondContact O-N 3.44Å; Q295-F298 PolarHBondContact O-N 3.33Å; F298-D302 HydrophobicContact CD2-CB 3.72Å; F298-D302 HydrophobicContact CE2-CB 3.82Å; F298-D302 CarbonylContact O-C 3.6Å; F298-D302 WeakPolarHBondContact O-CA 3.24Å; F298-D302 WeakPolarHBondContact O-CB 3.39Å; F298-D302 PolarHBondContact O-N 3.16Å; F298-L303 HydrophobicContact CD1-CB 4.28Å; F298-L303 HydrophobicContact CD1-CD2 4.5Å; F298-L303 HydrophobicContact CE1-CB 3.8Å; F298-L303 HydrophobicContact CE1-CD2 3.78Å; F298-L303 HydrophobicContact CE1-CG 4.3Å; F298-L303 HydrophobicContact CE2-CB 4.19Å; F298-L303 HydrophobicContact CZ-CB 3.73Å; F298-L303 HydrophobicContact CZ-CD1 4.42Å; F298-L303 HydrophobicContact CZ-CD2 4.28Å; F298-L303 HydrophobicContact CZ-CG 4.37Å; F298-L303 PolarHBondContact O-N 3.08Å
299	I	98.9	Very high	98.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	I	π-helix	trans	-63.4	-48	175.7	-68.8	173.9	0	0	0	110.8	A271 Q295 R296 G304 P305 L317 M319 V334 A340 V344	A271-I299 HydrophobicContact CB-CD1 4.2Å; A271-I299 HydrophobicContact CB-CG1 4.49Å; Q295-I299 HydrophobicContact CG-CD1 3.73Å; Q295-I299 HydrophobicContact CG-CG1 4.21Å; Q295-I299 WeakPolarHBondContact O-CB 3.23Å; Q295-I299 VanDerWaalsContact O-CG1 3.22Å; Q295-I299 WeakPolarHBondContact O-CG1 3.2Å; Q295-I299 PolarHBondContact O-N 3.15Å; R296-I299 PolarHBondContact O-N 3.08Å; I299-G304 WeakPolarHBondContact O-CA 3.48Å; I299-G304 PolarHBondContact O-N 3Å; I299-P305 WeakPolarHBondContact O-CD 3.21Å; I299-L317 HydrophobicContact CD1-CD2 4.31Å; I299-L317 HydrophobicContact CG1-CD2 4.08Å; I299-L317 HydrophobicContact CG2-CD2 3.82Å; I299-M319 HydrophobicContact CD1-CB 4.24Å; I299-V334 HydrophobicContact CD1-CG1 4.37Å; I299-A340 HydrophobicContact CG2-CB 4.35Å; I299-V344 HydrophobicContact CD1-CG2 4.1Å; I299-V344 HydrophobicContact CG2-CG2 4.04Å
300	A	98.9	Very high	98.9	Very high	14 Å²	14	33.1 Å²	33.1	12%	0.116	18%	0.175	C	C	.	.	I	π-helix	trans	-66.8	-41.7	-175.7	0	0	0	0	0	113.1	R296 D297 P305 E339 A340	R296-A300 WeakPolarHBondContact O-CB 3.47Å; R296-A300 PolarHBondContact O-N 2.89Å; D297-A300 PolarHBondContact O-N 3.23Å; A300-P305 WeakPolarHBondContact O-CD 3.31Å; A300-P305 VanDerWaalsContact O-CG 3.27Å; A300-P305 WeakPolarHBondContact O-CG 3.49Å; A300-E339 HydrophobicContact CB-CB 4.1Å; A300-A340 HydrophobicContact CB-CB 4.1Å
301	R	98.9	Very high	98.9	Very high	134 Å²	134	38.4 Å²	38.4	51%	0.506	21%	0.207	S	C	.	.	I	π-helix	trans	-96.2	-30.2	-170.5	-62.5	-175.2	-177	173.6	3.8	114	P240 Q246 D297	P240-R301 HydrophobicContact CB-CB 4.48Å; P240-R301 VanDerWaalsContact O-CD 3.28Å; P240-R301 WeakPolarHBondContact O-CD 3.5Å; P240-R301 PolarHBondContact O-NH1 2.99Å; Q246-R301 PolarHBondContact NE2-O 3.4Å; D297-R301 VanDerWaalsContact O-CB 3.28Å; D297-R301 WeakPolarHBondContact O-CB 3.49Å; D297-R301 WeakPolarHBondContact O-CG 3.29Å; D297-R301 PolarHBondContact O-N 3.18Å
302	D	98.9	Very high	98.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-123.1	-70	-168	-51.1	-68.1	0	0	0	111.8	P240 G241 H245 Q246 A249 F298 T306	P240-D302 WeakPolarHBondContact CA-OD2 3.34Å; G241-D302 WeakPolarHBondContact CA-OD1 3.34Å; G241-D302 VanDerWaalsContact N-CG 3.33Å; G241-D302 PolarHBondContact N-OD1 2.56Å; G241-D302 PolarHBondContact N-OD2 3.39Å; H245-D302 HydrophobicContact CB-CB 4.24Å; H245-D302 VanDerWaalsContact CB-CG 3.49Å; H245-D302 VanDerWaalsContact CB-OD2 3.23Å; H245-D302 WeakPolarHBondContact CB-OD2 3.33Å; H245-D302 IonicContact CG-OD2 3.91Å; Q246-D302 VanDerWaalsContact CD-OD1 3.3Å; Q246-D302 WeakPolarHBondContact CG-OD1 3.48Å; Q246-D302 PolarHBondContact NE2-OD1 3.39Å; A249-D302 HydrophobicContact CB-CB 3.99Å; F298-D302 HydrophobicContact CD2-CB 3.72Å; F298-D302 HydrophobicContact CE2-CB 3.82Å; F298-D302 CarbonylContact O-C 3.6Å; F298-D302 WeakPolarHBondContact O-CA 3.24Å; F298-D302 WeakPolarHBondContact O-CB 3.39Å; F298-D302 PolarHBondContact O-N 3.16Å; D302-T306 WeakPolarHBondContact O-CB 3.23Å; D302-T306 PolarHBondContact O-N 3.13Å; D302-T306 PolarHBondContact O-OG1 3.01Å
303	L	98.9	Very high	98.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-65.6	-47.5	-169.8	-176	60.7	0	0	0	112.6	A249 F252 A271 F298 T306 L307 L317	A249-L303 HydrophobicContact CB-CD1 4.5Å; F252-L303 HydrophobicContact CB-CD1 4.01Å; F252-L303 HydrophobicContact CD1-CD1 4.04Å; F252-L303 HydrophobicContact CD2-CD1 3.79Å; F252-L303 HydrophobicContact CE1-CD1 4.42Å; F252-L303 HydrophobicContact CE1-CD2 4.47Å; F252-L303 HydrophobicContact CE2-CD1 4.19Å; F252-L303 HydrophobicContact CG-CD1 3.69Å; F252-L303 HydrophobicContact CZ-CD1 4.47Å; F252-L303 HydrophobicContact CZ-CD2 4.36Å; A271-L303 HydrophobicContact CB-CD2 4.41Å; F298-L303 HydrophobicContact CD1-CB 4.28Å; F298-L303 HydrophobicContact CD1-CD2 4.5Å; F298-L303 HydrophobicContact CE1-CB 3.8Å; F298-L303 HydrophobicContact CE1-CD2 3.78Å; F298-L303 HydrophobicContact CE1-CG 4.3Å; F298-L303 HydrophobicContact CE2-CB 4.19Å; F298-L303 HydrophobicContact CZ-CB 3.73Å; F298-L303 HydrophobicContact CZ-CD1 4.42Å; F298-L303 HydrophobicContact CZ-CD2 4.28Å; F298-L303 HydrophobicContact CZ-CG 4.37Å; F298-L303 PolarHBondContact O-N 3.08Å; L303-T306 PolarHBondContact O-N 2.87Å; L303-L307 HydrophobicContact CD1-CD1 3.83Å; L303-L307 HydrophobicContact CD1-CG 4.03Å; L303-L307 HydrophobicContact CG-CD1 3.93Å; L303-L307 HydrophobicContact CG-CG 4.49Å; L303-L307 WeakPolarHBondContact O-CB 3.34Å; L303-L307 WeakPolarHBondContact O-CG 3.27Å; L303-L307 PolarHBondContact O-N 3.37Å; L303-L317 HydrophobicContact CD2-CD1 3.6Å; L303-L317 HydrophobicContact CD2-CD2 4.01Å; L303-L317 HydrophobicContact CD2-CG 4.47Å; L303-L317 HydrophobicContact CG-CD1 4.44Å; L303-L317 HydrophobicContact CG-CD2 4.29Å
304	G	98.9	Very high	98.8	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-57.1	179.8	0	0	0	0	0	112.8	I299 T306 L307 A308 Y343	I299-G304 WeakPolarHBondContact O-CA 3.48Å; I299-G304 PolarHBondContact O-N 3Å; G304-T306 VanDerWaalsContact C-N 3.33Å; G304-T306 PolarHBondContact O-N 2.86Å; G304-L307 PolarHBondContact O-N 3.47Å; G304-A308 VanDerWaalsContact O-CB 3.3Å; G304-A308 WeakPolarHBondContact O-CB 3.09Å; G304-A308 PolarHBondContact O-N 3.05Å; G304-Y343 VanDerWaalsContact CA-CG 3.46Å
305	P	98.9	Very high	98.8	Very high	32 Å²	32	41.9 Å²	41.9	21%	0.208	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-39.3	176.3	-24.3	33.3	0	0	0	113.6	I299 A300 A308 N309 Y343	I299-P305 WeakPolarHBondContact O-CD 3.21Å; A300-P305 WeakPolarHBondContact O-CD 3.31Å; A300-P305 VanDerWaalsContact O-CG 3.27Å; A300-P305 WeakPolarHBondContact O-CG 3.49Å; P305-A308 PolarHBondContact O-N 3.42Å; P305-N309 WeakPolarHBondContact O-CB 3.5Å; P305-N309 PolarHBondContact O-N 3.47Å; P305-Y343 HydrophobicContact CG-CE2 3.95Å
306	T	98.9	Very high	98.8	Very high	23 Å²	23	47.3 Å²	47.3	14%	0.141	24%	0.243	C	C	.	.	H	α-helix	trans	-67.1	-43.7	-179.4	-59.6	0	0	0	0	111.6	A249 R250 V253 D302 L303 G304 S310	A249-T306 HydrophobicContact CB-CG2 4.07Å; R250-T306 HydrophobicContact CG-CG2 4.29Å; V253-T306 HydrophobicContact CG2-CG2 3.79Å; D302-T306 WeakPolarHBondContact O-CB 3.23Å; D302-T306 PolarHBondContact O-N 3.13Å; D302-T306 PolarHBondContact O-OG1 3.01Å; L303-T306 PolarHBondContact O-N 2.87Å; G304-T306 VanDerWaalsContact C-N 3.33Å; G304-T306 PolarHBondContact O-N 2.86Å; T306-S310 PolarHBondContact O-N 3.48Å
307	L	98.9	Very high	98.8	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-44.5	173.7	-73.9	172.8	0	0	0	111.4	V253 L256 V269 L303 G304 N309 S310 H313	V253-L307 HydrophobicContact CG2-CD2 4.28Å; L256-L307 HydrophobicContact CD1-CD2 3.79Å; V269-L307 HydrophobicContact CG2-CD1 4.19Å; L303-L307 HydrophobicContact CD1-CD1 3.83Å; L303-L307 HydrophobicContact CD1-CG 4.03Å; L303-L307 HydrophobicContact CG-CD1 3.93Å; L303-L307 HydrophobicContact CG-CG 4.49Å; L303-L307 WeakPolarHBondContact O-CB 3.34Å; L303-L307 WeakPolarHBondContact O-CG 3.27Å; L303-L307 PolarHBondContact O-N 3.37Å; G304-L307 PolarHBondContact O-N 3.47Å; L307-N309 VanDerWaalsContact C-N 3.28Å; L307-N309 PolarHBondContact O-N 3.46Å; L307-S310 PolarHBondContact O-N 2.83Å; L307-S310 VanDerWaalsContact O-N 3.13Å; L307-S310 PolarHBondContact O-OG 3.27Å; L307-H313 WeakPolarHBondContact O-CA 3.32Å; L307-H313 PolarHBondContact O-N 3.43Å
308	A	98.8	Very high	98.8	Very high	46 Å²	46	43.2 Å²	43.2	38%	0.38	23%	0.225	S	C	.	.	H	α-helix	trans	-62.6	-32.5	-179.6	0	0	0	0	0	113.3	G304 P305 H313 Y343	G304-A308 VanDerWaalsContact O-CB 3.3Å; G304-A308 WeakPolarHBondContact O-CB 3.09Å; G304-A308 PolarHBondContact O-N 3.05Å; P305-A308 PolarHBondContact O-N 3.42Å; A308-H313 WeakPolarHBondContact O-CB 3.24Å; A308-Y343 HydrophobicContact CB-CE1 3.99Å
309	N	98.7	Very high	98.8	Very high	148 Å²	148	43.2 Å²	43.2	79%	0.791	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.6	178.1	-72.1	6.2	0	0	0	113.7	P305 L307	P305-N309 WeakPolarHBondContact O-CB 3.5Å; P305-N309 PolarHBondContact O-N 3.47Å; L307-N309 VanDerWaalsContact C-N 3.28Å; L307-N309 PolarHBondContact O-N 3.46Å
310	S	98.8	Very high	98.8	Very high	18 Å²	18	43.2 Å²	43.2	13%	0.126	23%	0.225	C	C	.	.	S	Bend	trans	-89.9	169.2	176.9	78	0	0	0	0	112	T306 L307 H312 H313	T306-S310 PolarHBondContact O-N 3.48Å; L307-S310 PolarHBondContact O-N 2.83Å; L307-S310 VanDerWaalsContact O-N 3.13Å; L307-S310 PolarHBondContact O-OG 3.27Å; S310-H312 PolarHBondContact O-N 3.34Å; S310-H312 PolarHBondContact OG-N 3.08Å; S310-H313 PolarHBondContact O-CD2 3.22Å; S310-H313 PolarHBondContact O-N 3.44Å
311	T	98.7	Very high	98.8	Very high	113 Å²	113	42.5 Å²	42.5	69%	0.693	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-13.5	168.3	49.9	0	0	0	0	112.9
312	H	98.8	Very high	98.8	Very high	27 Å²	27	36.1 Å²	36.1	13%	0.125	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	17.6	-178.3	-53.7	-70.4	0	0	0	113.9	L256 D257 S310 N314 V315	L256-H312 HydrophobicContact CB-CB 4.34Å; L256-H312 HydrophobicContact CD1-CB 3.75Å; L256-H312 PolarHBondContact O-CE1 2.94Å; D257-H312 PolarHBondContact N-NE2 2.8Å; D257-H312 IonicContact OD1-CD2 3.67Å; D257-H312 IonicContact OD1-CE1 2.83Å; D257-H312 IonicContact OD1-NE2 3.92Å; D257-H312 PolarHBondContact OD1-NE2 2.87Å; S310-H312 PolarHBondContact O-N 3.34Å; S310-H312 PolarHBondContact OG-N 3.08Å; H312-N314 PolarHBondContact O-N 2.93Å; H312-V315 HydrophobicContact CB-CG2 3.97Å; H312-V315 WeakPolarHBondContact O-CB 3.39Å; H312-V315 WeakPolarHBondContact O-CG2 3.28Å; H312-V315 PolarHBondContact O-N 3.22Å
313	H	98.4	Very high	98.7	Very high	106 Å²	106	38 Å²	38	49%	0.491	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-13.7	-178.5	67.7	79.5	0	0	0	115.4	L307 A308 S310	L307-H313 WeakPolarHBondContact O-CA 3.32Å; L307-H313 PolarHBondContact O-N 3.43Å; A308-H313 WeakPolarHBondContact O-CB 3.24Å; S310-H313 PolarHBondContact O-CD2 3.22Å; S310-H313 PolarHBondContact O-N 3.44Å
314	N	98.8	Very high	98.5	Very high	100 Å²	100	38.7 Å²	38.7	54%	0.535	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.9	174.7	-68.5	-47.6	0	0	0	113.8	H312 R316	H312-N314 PolarHBondContact O-N 2.93Å; N314-R316 PolarHBondContact O-N 3.14Å
315	V	98.9	Very high	98.4	Very high	13 Å²	13	41.9 Å²	41.9	8%	0.079	22%	0.223	C	C	.	.	S	Bend	trans	-65.6	130.3	175.6	179.4	0	0	0	0	108.6	L256 F266 V269 H312	L256-V315 HydrophobicContact CD1-CG2 4.27Å; L256-V315 HydrophobicContact CD2-CG2 4.41Å; F266-V315 HydrophobicContact CB-CG1 4.3Å; F266-V315 HydrophobicContact CB-CG2 4.36Å; V269-V315 HydrophobicContact CG1-CG1 4.02Å; V269-V315 HydrophobicContact CG2-CG1 4.29Å; H312-V315 HydrophobicContact CB-CG2 3.97Å; H312-V315 WeakPolarHBondContact O-CB 3.39Å; H312-V315 WeakPolarHBondContact O-CG2 3.28Å; H312-V315 PolarHBondContact O-N 3.22Å
316	R	98.9	Very high	98.3	Very high	116 Å²	116	42.3 Å²	42.3	44%	0.438	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	142.1	-178.7	-55.7	-55.6	-177.8	-178.7	-2.8	110.7	W267 A268 V269 N314 H345	W267-R316 PolarHBondContact O-N 3.24Å; A268-R316 CarbonylContact C-O 3.44Å; A268-R316 WeakPolarHBondContact CA-O 3.41Å; A268-R316 HydrophobicContact CB-CB 3.97Å; A268-R316 WeakPolarHBondContact CB-O 3.06Å; V269-R316 PolarHBondContact N-O 2.86Å; N314-R316 PolarHBondContact O-N 3.14Å; R316-H345 HydrophobicContact CB-CB 3.8Å; R316-H345 HydrophobicContact CG-CB 4.32Å
317	L	98.9	Very high	98.3	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.4	172.5	178.5	61.1	0	0	0	110.3	V269 A271 I299 L303 H345	V269-L317 HydrophobicContact CG2-CD1 4.01Å; V269-L317 WeakPolarHBondContact O-CA 3.24Å; A271-L317 HydrophobicContact CB-CD1 4.24Å; I299-L317 HydrophobicContact CD1-CD2 4.31Å; I299-L317 HydrophobicContact CG1-CD2 4.08Å; I299-L317 HydrophobicContact CG2-CD2 3.82Å; L303-L317 HydrophobicContact CD2-CD1 3.6Å; L303-L317 HydrophobicContact CD2-CD2 4.01Å; L303-L317 HydrophobicContact CD2-CG 4.47Å; L303-L317 HydrophobicContact CG-CD1 4.44Å; L303-L317 HydrophobicContact CG-CD2 4.29Å; L317-H345 PolarHBondContact O-N 3Å
318	L	98.9	Very high	98.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.5	171.9	-48.7	-177.7	0	0	0	109.6	L214 W267 A268 V269 T270 A271 H345 G346 A348 M374 F376	L214-L318 HydrophobicContact CD1-CD1 3.98Å; W267-L318 HydrophobicContact CH2-CD1 4.46Å; A268-L318 HydrophobicContact CB-CD1 4.33Å; A268-L318 HydrophobicContact CB-CG 4.27Å; V269-L318 PolarHBondContact O-N 3.04Å; T270-L318 CarbonylContact C-O 3.43Å; T270-L318 VanDerWaalsContact CA-O 3.29Å; T270-L318 WeakPolarHBondContact CA-O 3.33Å; T270-L318 HydrophobicContact CG2-CB 4.2Å; T270-L318 HydrophobicContact CG2-CD1 4.49Å; A271-L318 PolarHBondContact N-O 2.91Å; L318-H345 HydrophobicContact CD2-CB 4.49Å; L318-G346 VanDerWaalsContact CA-O 3.3Å; L318-G346 WeakPolarHBondContact CA-O 3.37Å; L318-A348 HydrophobicContact CB-CB 4.01Å; L318-A348 HydrophobicContact CD1-CB 4.27Å; L318-M374 HydrophobicContact CD1-CE 4.39Å; L318-M374 HydrophobicContact CD2-CE 3.61Å; L318-M374 HydrophobicContact CD2-SD 4.26Å; L318-F376 HydrophobicContact CD1-CD1 4.22Å
319	M	98.9	Very high	98.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	175.3	175.8	69.3	166.8	-73.5	0	0	111.4	I299 D321 W330 V334 L335 V344 G346 I347 A348	I299-M319 HydrophobicContact CD1-CB 4.24Å; M319-D321 PolarHBondContact O-N 3.12Å; M319-W330 HydrophobicContact CE-CE3 4.1Å; M319-V334 HydrophobicContact CE-CB 3.47Å; M319-V334 VanDerWaalsContact CE-CB 3.47Å; M319-V334 HydrophobicContact CE-CG1 3.97Å; M319-V334 HydrophobicContact CE-CG2 3.42Å; M319-V334 VanDerWaalsContact CE-CG2 3.42Å; M319-V334 HydrophobicContact SD-CB 3.76Å; M319-V334 HydrophobicContact SD-CG1 3.74Å; M319-V334 HydrophobicContact SD-CG2 4.32Å; M319-L335 HydrophobicContact SD-CD1 4.24Å; M319-L335 HydrophobicContact SD-CD2 3.83Å; M319-L335 HydrophobicContact SD-CG 3.82Å; M319-V344 HydrophobicContact CB-CG1 3.98Å; M319-V344 HydrophobicContact CB-CG2 4.35Å; M319-V344 HydrophobicContact CG-CG1 3.67Å; M319-V344 HydrophobicContact SD-CG1 4.01Å; M319-G346 PolarHBondContact N-O 3.21Å; M319-I347 HydrophobicContact CG-CB 4.33Å; M319-I347 HydrophobicContact CG-CG1 3.77Å; M319-I347 HydrophobicContact SD-CG1 4.02Å; M319-A348 PolarHBondContact O-N 3.19Å
320	L	98.8	Very high	98.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.6	-82.7	-178.1	-175.8	66.2	0	0	0	113.8	P275 D322 L326 L327 W330 I347 A348 V349	P275-L320 WeakPolarHBondContact CD-O 3.46Å; P275-L320 VanDerWaalsContact CG-O 3.29Å; P275-L320 WeakPolarHBondContact CG-O 3.27Å; L320-D322 VanDerWaalsContact C-N 3.27Å; L320-D322 HydrophobicContact CD1-CB 3.74Å; L320-D322 HydrophobicContact CG-CB 4.01Å; L320-D322 PolarHBondContact O-N 2.98Å; L320-L326 HydrophobicContact CD1-CB 4.03Å; L320-L326 HydrophobicContact CD1-CD1 3.97Å; L320-L327 HydrophobicContact CD2-CD1 4.04Å; L320-L327 HydrophobicContact CD2-CD2 3.82Å; L320-L327 HydrophobicContact CD2-CG 3.71Å; L320-W330 HydrophobicContact CB-CE3 4.05Å; L320-W330 HydrophobicContact CB-CZ3 4.48Å; L320-W330 HydrophobicContact CD1-CB 4.02Å; L320-W330 HydrophobicContact CD1-CD2 3.61Å; L320-W330 HydrophobicContact CD1-CE3 3.48Å; L320-W330 VanDerWaalsContact CD1-CE3 3.48Å; L320-W330 HydrophobicContact CD1-CG 3.81Å; L320-W330 HydrophobicContact CD1-CZ3 4.11Å; L320-W330 HydrophobicContact CG-CE3 4.39Å; L320-I347 HydrophobicContact CB-CG2 3.9Å; L320-I347 HydrophobicContact CD2-CG2 3.8Å; L320-A348 WeakPolarHBondContact CB-O 3.15Å; L320-A348 WeakPolarHBondContact CD2-O 3.21Å; L320-A348 WeakPolarHBondContact CG-O 3.4Å; L320-V349 HydrophobicContact CD2-CG1 4.01Å
321	D	98.8	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.8	47.1	-174.1	-159.2	41.5	0	0	0	113	R159 S216 T270 E272 E274 M319 A348 H350 S378	R159-D321 IonicContact CZ-OD2 2.67Å; R159-D321 IonicContact NH2-OD1 3.68Å; R159-D321 IonicContact NH2-OD2 2.9Å; R159-D321 PolarHBondContact NH2-OD2 2.5Å; S216-D321 PolarHBondContact OG-OD2 3.29Å; T270-D321 VanDerWaalsContact CB-OD2 3.25Å; T270-D321 WeakPolarHBondContact CB-OD2 3.41Å; T270-D321 HydrophobicContact CG2-CB 3.92Å; T270-D321 VanDerWaalsContact CG2-CG 3.48Å; T270-D321 WeakPolarHBondContact CG2-OD2 3.07Å; T270-D321 PolarHBondContact OG1-OD2 3.49Å; E272-D321 WeakPolarHBondContact O-CB 2.94Å; E274-D321 WeakPolarHBondContact CA-O 3.25Å; E274-D321 PolarHBondContact N-O 2.81Å; M319-D321 PolarHBondContact O-N 3.12Å; D321-A348 WeakPolarHBondContact CA-O 3.29Å; D321-A348 HydrophobicContact CB-CB 3.8Å; D321-A348 PolarHBondContact N-O 2.86Å; D321-A348 WeakPolarHBondContact OD1-CB 3.46Å; D321-H350 PolarHBondContact O-CE1 2.84Å; D321-H350 VanDerWaalsContact O-CE1 3.28Å; D321-H350 PolarHBondContact O-NE2 2.98Å; D321-H350 IonicContact OD1-CD2 3.09Å; D321-H350 IonicContact OD1-NE2 3.53Å; D321-H350 PolarHBondContact OD1-NE2 2.66Å; D321-H350 VanDerWaalsContact OD1-NE2 3.09Å; D321-S378 WeakPolarHBondContact OD1-CB 3.47Å; D321-S378 PolarHBondContact OD1-OG 3.45Å
322	D	98.6	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	177.1	-172.8	-152.8	-34.1	0	0	0	109.2	E274 S276 L320 R324 L326 V349 H350	E274-D322 VanDerWaalsContact C-OD2 3.27Å; E274-D322 VanDerWaalsContact CA-OD2 3.32Å; E274-D322 WeakPolarHBondContact CA-OD2 3.41Å; S276-D322 WeakPolarHBondContact CB-OD2 3.33Å; S276-D322 PolarHBondContact N-OD2 3.41Å; S276-D322 PolarHBondContact OG-OD1 2.76Å; S276-D322 PolarHBondContact OG-OD2 2.57Å; L320-D322 VanDerWaalsContact C-N 3.27Å; L320-D322 HydrophobicContact CD1-CB 3.74Å; L320-D322 HydrophobicContact CG-CB 4.01Å; L320-D322 PolarHBondContact O-N 2.98Å; D322-R324 PolarHBondContact O-N 3.25Å; D322-L326 HydrophobicContact CB-CD1 3.88Å; D322-V349 CarbonylContact O-C 3.55Å; D322-V349 WeakPolarHBondContact O-CA 3.15Å; D322-H350 PolarHBondContact O-N 3.25Å
323	Q	96.8	Very high	98.3	Very high	39 Å²	39	36.3 Å²	36.3	18%	0.182	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	135.7	-176.1	-58.4	160.5	2.9	0	0	112.1	L325 L326 L353	Q323-L325 HydrophobicContact CB-CD2 3.17Å; Q323-L325 HydrophobicContact CG-CD2 4.19Å; Q323-L325 PolarHBondContact O-N 3.43Å; Q323-L326 PolarHBondContact O-N 3.27Å; Q323-L326 VanDerWaalsContact O-N 3.15Å; Q323-L353 HydrophobicContact CG-CG 4.39Å
324	R	95.1	Very high	98.3	Very high	14 Å²	14	31.3 Å²	31.3	5%	0.053	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-65.1	-11.8	-176.4	70	178.4	178.5	73.2	5.5	115.5	D322 L326 L327 V349 H350 D354 A357 P358 T362 L363	D322-R324 PolarHBondContact O-N 3.25Å; R324-L326 PolarHBondContact O-N 3.38Å; R324-L327 WeakPolarHBondContact O-CB 3.3Å; R324-L327 PolarHBondContact O-N 3.37Å; R324-L327 VanDerWaalsContact O-N 3.07Å; R324-V349 HydrophobicContact CB-CB 4.38Å; R324-V349 HydrophobicContact CB-CG1 4.4Å; R324-H350 PolarHBondContact N-O 2.65Å; R324-D354 IonicContact CZ-OD1 3.78Å; R324-D354 IonicContact CZ-OD2 2.71Å; R324-D354 IonicContact NE-OD1 3.65Å; R324-D354 PolarHBondContact NE-OD1 3.2Å; R324-D354 IonicContact NE-OD2 3.53Å; R324-D354 PolarHBondContact NE-OD2 3.34Å; R324-D354 VanDerWaalsContact NH2-CG 3.25Å; R324-D354 PolarHBondContact NH2-O 3.12Å; R324-D354 IonicContact NH2-OD1 3.89Å; R324-D354 IonicContact NH2-OD2 3.51Å; R324-D354 PolarHBondContact NH2-OD2 2.9Å; R324-A357 PolarHBondContact NH1-O 3.15Å; R324-A357 PolarHBondContact NH2-O 2.73Å; R324-P358 VanDerWaalsContact NH1-C 3.32Å; R324-P358 PolarHBondContact NH1-O 3.31Å; R324-T362 WeakPolarHBondContact CD-OG1 3.37Å; R324-T362 PolarHBondContact NH1-OG1 2.87Å; R324-T362 VanDerWaalsContact O-CB 3.23Å; R324-T362 WeakPolarHBondContact O-CB 3.39Å; R324-T362 WeakPolarHBondContact O-CG2 3.46Å; R324-L363 HydrophobicContact CB-CD2 4.29Å
325	L	96	Very high	98.3	Very high	69 Å²	69	27.2 Å²	27.2	36%	0.361	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-63.6	-21.2	173.7	82.7	168.6	0	0	0	113.1	Q323 L327 L353 L356	Q323-L325 HydrophobicContact CB-CD2 3.17Å; Q323-L325 HydrophobicContact CG-CD2 4.19Å; Q323-L325 PolarHBondContact O-N 3.43Å; L325-L327 PolarHBondContact O-N 3.03Å; L325-L353 HydrophobicContact CD1-CD1 4.28Å; L325-L353 HydrophobicContact CD2-CD1 4.36Å; L325-L356 HydrophobicContact CD1-CD1 4.4Å
326	L	97.4	Very high	98.3	Very high	41 Å²	41	31.4 Å²	31.4	22%	0.215	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-74	-11.8	175.6	-61.2	176.4	0	0	0	112.2	L320 D322 Q323 R324 H329 W330	L320-L326 HydrophobicContact CD1-CB 4.03Å; L320-L326 HydrophobicContact CD1-CD1 3.97Å; D322-L326 HydrophobicContact CB-CD1 3.88Å; Q323-L326 PolarHBondContact O-N 3.27Å; Q323-L326 VanDerWaalsContact O-N 3.15Å; R324-L326 PolarHBondContact O-N 3.38Å; L326-H329 PolarHBondContact O-N 3.35Å; L326-W330 HydrophobicContact CB-CG 4.25Å; L326-W330 PolarHBondContact O-N 3.33Å
327	L	98.2	Very high	98.3	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.042	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	146.7	173.4	-67.6	178	0	0	0	111.8	L320 R324 L325 A331 I347 V349 L363 T366 L375	L320-L327 HydrophobicContact CD2-CD1 4.04Å; L320-L327 HydrophobicContact CD2-CD2 3.82Å; L320-L327 HydrophobicContact CD2-CG 3.71Å; R324-L327 WeakPolarHBondContact O-CB 3.3Å; R324-L327 PolarHBondContact O-N 3.37Å; R324-L327 VanDerWaalsContact O-N 3.07Å; L325-L327 PolarHBondContact O-N 3.03Å; L327-A331 HydrophobicContact CD2-CB 3.78Å; L327-I347 HydrophobicContact CD1-CG2 4.27Å; L327-I347 HydrophobicContact CD2-CG2 4.2Å; L327-V349 HydrophobicContact CD1-CG1 3.6Å; L327-L363 HydrophobicContact CD1-CD2 4.24Å; L327-T366 WeakPolarHBondContact CB-OG1 3.44Å; L327-T366 HydrophobicContact CD1-CG2 4.37Å; L327-T366 HydrophobicContact CD2-CG2 4.12Å; L327-L375 HydrophobicContact CD1-CD2 4.31Å
328	P	98.3	Very high	98.3	Very high	25 Å²	25	31.7 Å²	31.7	16%	0.162	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.5	4.7	4.7	36.5	-38.4	0	0	0	114.1	A331 K332 E365 L369	P328-A331 PolarHBondContact O-N 3.03Å; P328-K332 WeakPolarHBondContact O-CG 3.27Å; P328-K332 PolarHBondContact O-N 2.98Å; P328-E365 HydrophobicContact CB-CG 4.22Å; P328-E365 HydrophobicContact CG-CB 4.49Å; P328-E365 HydrophobicContact CG-CG 3.87Å; P328-L369 HydrophobicContact CB-CD1 4.01Å
329	H	98.7	Very high	98.3	Very high	108 Å²	108	36.5 Å²	36.5	50%	0.5	19%	0.191	S	C	.	.	H	α-helix	trans	-61.3	-49.5	-171.9	174.9	60.5	0	0	0	112.5	L326 A331 K332 V333	L326-H329 PolarHBondContact O-N 3.35Å; H329-A331 VanDerWaalsContact C-N 3.33Å; H329-A331 PolarHBondContact O-N 3.13Å; H329-K332 WeakPolarHBondContact O-CB 3.36Å; H329-K332 PolarHBondContact O-N 2.9Å; H329-K332 VanDerWaalsContact O-N 3.08Å; H329-V333 PolarHBondContact O-N 3.41Å
330	W	98.8	Very high	98.2	Very high	10 Å²	10	36.5 Å²	36.5	4%	0.038	19%	0.191	C	C	.	.	H	α-helix	trans	-56.3	-46	177.9	-105.9	69	0	0	0	112.9	P275 F290 P292 Q295 M319 L320 L326 K332 V333 V334	P275-W330 HydrophobicContact CB-CH2 3.69Å; P275-W330 HydrophobicContact CB-CZ2 4.21Å; P275-W330 HydrophobicContact CG-CH2 3.28Å; P275-W330 HydrophobicContact CG-CZ2 3.92Å; P275-W330 HydrophobicContact CG-CZ3 3.81Å; F290-W330 WeakPolarHBondContact O-CZ2 3Å; P292-W330 HydrophobicContact CB-CD2 3.73Å; P292-W330 HydrophobicContact CB-CE3 4.45Å; P292-W330 HydrophobicContact CB-CG 3.82Å; P292-W330 HydrophobicContact CB-CZ2 4.17Å; P292-W330 HydrophobicContact CG-CG 4.42Å; Q295-W330 HydrophobicContact CB-CH2 3.82Å; Q295-W330 HydrophobicContact CB-CZ3 4.01Å; Q295-W330 HydrophobicContact CG-CH2 4.34Å; Q295-W330 HydrophobicContact CG-CZ3 4.14Å; Q295-W330 VanDerWaalsContact NE2-CZ3 3.25Å; M319-W330 HydrophobicContact CE-CE3 4.1Å; L320-W330 HydrophobicContact CB-CE3 4.05Å; L320-W330 HydrophobicContact CB-CZ3 4.48Å; L320-W330 HydrophobicContact CD1-CB 4.02Å; L320-W330 HydrophobicContact CD1-CD2 3.61Å; L320-W330 HydrophobicContact CD1-CE3 3.48Å; L320-W330 VanDerWaalsContact CD1-CE3 3.48Å; L320-W330 HydrophobicContact CD1-CG 3.81Å; L320-W330 HydrophobicContact CD1-CZ3 4.11Å; L320-W330 HydrophobicContact CG-CE3 4.39Å; L326-W330 HydrophobicContact CB-CG 4.25Å; L326-W330 PolarHBondContact O-N 3.33Å; W330-K332 VanDerWaalsContact C-N 3.33Å; W330-K332 PolarHBondContact O-N 3.33Å; W330-V333 PolarHBondContact O-N 3.38Å; W330-V334 PolarHBondContact O-N 3.14Å; W330-V334 VanDerWaalsContact O-N 3.15Å
331	A	98.8	Very high	98.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-41.6	175.9	0	0	0	0	0	111.9	L327 P328 H329 L335 I347 T366 F370	L327-A331 HydrophobicContact CD2-CB 3.78Å; P328-A331 PolarHBondContact O-N 3.03Å; H329-A331 VanDerWaalsContact C-N 3.33Å; H329-A331 PolarHBondContact O-N 3.13Å; A331-L335 HydrophobicContact CB-CD1 4.21Å; A331-L335 WeakPolarHBondContact O-CB 3.46Å; A331-L335 WeakPolarHBondContact O-CG 3.3Å; A331-L335 PolarHBondContact O-N 3.31Å; A331-I347 HydrophobicContact CB-CD1 3.84Å; A331-T366 HydrophobicContact CB-CG2 3.82Å; A331-F370 HydrophobicContact CB-CD2 3.98Å; A331-F370 HydrophobicContact CB-CE2 3.9Å
332	K	98.8	Very high	98.2	Very high	87 Å²	87	43.5 Å²	43.5	38%	0.378	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-47.4	176.5	-71.7	173.7	-178.2	-179.9	0	111.8	P328 H329 W330 V334 T336 L369 F370	P328-K332 WeakPolarHBondContact O-CG 3.27Å; P328-K332 PolarHBondContact O-N 2.98Å; H329-K332 WeakPolarHBondContact O-CB 3.36Å; H329-K332 PolarHBondContact O-N 2.9Å; H329-K332 VanDerWaalsContact O-N 3.08Å; W330-K332 VanDerWaalsContact C-N 3.33Å; W330-K332 PolarHBondContact O-N 3.33Å; K332-V334 PolarHBondContact O-N 3.11Å; K332-T336 VanDerWaalsContact O-CB 3.28Å; K332-T336 WeakPolarHBondContact O-CB 3.36Å; K332-T336 WeakPolarHBondContact O-CG2 2.89Å; K332-T336 PolarHBondContact O-N 2.88Å; K332-T336 PolarHBondContact O-OG1 3.43Å; K332-L369 HydrophobicContact CD-CD1 4.38Å; K332-L369 HydrophobicContact CG-CD1 4.22Å; K332-F370 HydrophobicContact CG-CE2 4.22Å; K332-F370 HydrophobicContact CG-CZ 4.39Å
333	V	98.9	Very high	98.3	Very high	21 Å²	21	46.5 Å²	46.5	13%	0.127	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-43.3	-176.4	173.5	0	0	0	0	111.5	P292 E293 R296 H329 W330	P292-V333 HydrophobicContact CB-CB 3.81Å; P292-V333 HydrophobicContact CB-CG1 3.76Å; P292-V333 HydrophobicContact CB-CG2 4.17Å; P292-V333 HydrophobicContact CG-CB 4.36Å; P292-V333 HydrophobicContact CG-CG1 4.28Å; P292-V333 HydrophobicContact CG-CG2 4.2Å; E293-V333 HydrophobicContact CB-CG1 4.48Å; E293-V333 HydrophobicContact CG-CG1 3.93Å; R296-V333 WeakPolarHBondContact CD-O 3.4Å; H329-V333 PolarHBondContact O-N 3.41Å; W330-V333 PolarHBondContact O-N 3.38Å
334	V	98.9	Very high	98.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-81.7	-45.8	-176.9	-179.3	0	0	0	0	112.3	R296 I299 M319 W330 K332 D337 A340 V344	R296-V334 HydrophobicContact CB-CB 4.4Å; R296-V334 HydrophobicContact CB-CG1 4.48Å; R296-V334 HydrophobicContact CB-CG2 4.03Å; I299-V334 HydrophobicContact CD1-CG1 4.37Å; M319-V334 HydrophobicContact CE-CB 3.47Å; M319-V334 VanDerWaalsContact CE-CB 3.47Å; M319-V334 HydrophobicContact CE-CG1 3.97Å; M319-V334 HydrophobicContact CE-CG2 3.42Å; M319-V334 VanDerWaalsContact CE-CG2 3.42Å; M319-V334 HydrophobicContact SD-CB 3.76Å; M319-V334 HydrophobicContact SD-CG1 3.74Å; M319-V334 HydrophobicContact SD-CG2 4.32Å; W330-V334 PolarHBondContact O-N 3.14Å; W330-V334 VanDerWaalsContact O-N 3.15Å; K332-V334 PolarHBondContact O-N 3.11Å; V334-D337 PolarHBondContact O-N 2.96Å; V334-A340 HydrophobicContact CG1-CB 4.08Å; V334-V344 HydrophobicContact CG1-CG2 4.19Å
335	L	98.8	Very high	98.5	Very high	15 Å²	15	48 Å²	48	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-86.5	-12.3	-169.2	-58.8	176.8	0	0	0	114.3	M319 A331 D337 A341 V344 I347 F370 T373	M319-L335 HydrophobicContact SD-CD1 4.24Å; M319-L335 HydrophobicContact SD-CD2 3.83Å; M319-L335 HydrophobicContact SD-CG 3.82Å; A331-L335 HydrophobicContact CB-CD1 4.21Å; A331-L335 WeakPolarHBondContact O-CB 3.46Å; A331-L335 WeakPolarHBondContact O-CG 3.3Å; A331-L335 PolarHBondContact O-N 3.31Å; L335-D337 VanDerWaalsContact C-N 3.29Å; L335-A341 HydrophobicContact CD2-CB 4.4Å; L335-V344 HydrophobicContact CD2-CB 3.89Å; L335-V344 HydrophobicContact CD2-CG1 3.86Å; L335-V344 HydrophobicContact CD2-CG2 4.33Å; L335-I347 HydrophobicContact CD1-CD1 3.93Å; L335-I347 HydrophobicContact CD1-CG1 4.38Å; L335-F370 HydrophobicContact CB-CD1 3.78Å; L335-F370 HydrophobicContact CB-CE1 3.57Å; L335-F370 HydrophobicContact CB-CE2 4.42Å; L335-F370 HydrophobicContact CB-CG 4.31Å; L335-F370 HydrophobicContact CB-CZ 3.92Å; L335-F370 HydrophobicContact CD1-CB 3.98Å; L335-F370 HydrophobicContact CD1-CD1 3.94Å; L335-F370 HydrophobicContact CD1-CD2 3.89Å; L335-F370 HydrophobicContact CD1-CE1 4.42Å; L335-F370 HydrophobicContact CD1-CE2 4.37Å; L335-F370 HydrophobicContact CD1-CG 3.65Å; L335-T373 HydrophobicContact CD1-CG2 3.93Å; L335-T373 HydrophobicContact CD2-CG2 4.47Å
336	T	98.8	Very high	98.7	Very high	100 Å²	100	44.7 Å²	44.7	61%	0.613	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-15.5	170.9	60.2	0	0	0	0	112.6	K332 P338 F370	K332-T336 VanDerWaalsContact O-CB 3.28Å; K332-T336 WeakPolarHBondContact O-CB 3.36Å; K332-T336 WeakPolarHBondContact O-CG2 2.89Å; K332-T336 PolarHBondContact O-N 2.88Å; K332-T336 PolarHBondContact O-OG1 3.43Å; T336-P338 WeakPolarHBondContact O-CD 3.44Å; T336-F370 HydrophobicContact CG2-CE1 4.4Å; T336-F370 HydrophobicContact CG2-CZ 4.11Å
337	D	98.8	Very high	98.7	Very high	41 Å²	41	42.8 Å²	42.8	22%	0.219	22%	0.22	C	C	.	.	S	Bend	trans	-86.6	113	169.6	-173.2	-30.5	0	0	0	109.8	R296 V334 L335 E339 A340 A341	R296-D337 WeakPolarHBondContact CD-OD2 3.41Å; R296-D337 HydrophobicContact CG-CB 3.93Å; R296-D337 IonicContact NE-OD2 3.65Å; V334-D337 PolarHBondContact O-N 2.96Å; L335-D337 VanDerWaalsContact C-N 3.29Å; D337-E339 PolarHBondContact O-N 3.08Å; D337-E339 WeakPolarHBondContact OD1-CB 3.26Å; D337-E339 PolarHBondContact OD1-N 2.9Å; D337-A340 HydrophobicContact CB-CB 4.42Å; D337-A340 PolarHBondContact O-N 2.83Å; D337-A341 VanDerWaalsContact O-CB 3.25Å; D337-A341 WeakPolarHBondContact O-CB 3.07Å; D337-A341 PolarHBondContact O-N 2.97Å
338	P	98.6	Very high	98.8	Very high	87 Å²	87	42.4 Å²	42.4	57%	0.565	22%	0.218	S	C	*	.	H	α-helix	trans	-64.8	-25.4	-177.2	27.7	-34.9	0	0	0	113.5	T336 K342	T336-P338 WeakPolarHBondContact O-CD 3.44Å; P338-K342 PolarHBondContact O-N 2.57Å
339	E	98.7	Very high	98.8	Very high	101 Å²	101	41.3 Å²	41.3	47%	0.472	21%	0.211	S	C	.	.	H	α-helix	trans	-74.5	-29.8	-179.4	-63.4	-55.5	124.2	0	0	112.1	A300 D337 K342 Y343	A300-E339 HydrophobicContact CB-CB 4.1Å; D337-E339 PolarHBondContact O-N 3.08Å; D337-E339 WeakPolarHBondContact OD1-CB 3.26Å; D337-E339 PolarHBondContact OD1-N 2.9Å; E339-K342 WeakPolarHBondContact O-CE 3.4Å; E339-K342 IonicContact OE1-NZ 3.53Å; E339-K342 IonicContact OE2-NZ 3.98Å; E339-K342 PolarHBondContact OE2-NZ 3.26Å; E339-Y343 VanDerWaalsContact O-CD2 3.31Å; E339-Y343 WeakPolarHBondContact O-CD2 3.17Å; E339-Y343 WeakPolarHBondContact O-CE2 3.31Å
340	A	98.8	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-83.1	-47.3	169.2	0	0	0	0	0	111.4	R296 I299 A300 V334 D337 K342 Y343 V344	R296-A340 HydrophobicContact CG-CB 3.79Å; I299-A340 HydrophobicContact CG2-CB 4.35Å; A300-A340 HydrophobicContact CB-CB 4.1Å; V334-A340 HydrophobicContact CG1-CB 4.08Å; D337-A340 HydrophobicContact CB-CB 4.42Å; D337-A340 PolarHBondContact O-N 2.83Å; A340-K342 PolarHBondContact O-N 3.29Å; A340-K342 VanDerWaalsContact O-N 3.14Å; A340-Y343 PolarHBondContact O-N 2.78Å; A340-V344 PolarHBondContact O-N 3.34Å
341	A	98.8	Very high	98	Very high	30 Å²	30	38 Å²	38	25%	0.248	19%	0.194	C	C	.	.	H	α-helix	trans	-57.4	-34.6	-171.7	0	0	0	0	0	113.4	L335 D337 Y343 V344	L335-A341 HydrophobicContact CD2-CB 4.4Å; D337-A341 VanDerWaalsContact O-CB 3.25Å; D337-A341 WeakPolarHBondContact O-CB 3.07Å; D337-A341 PolarHBondContact O-N 2.97Å; A341-Y343 PolarHBondContact O-N 3.35Å; A341-V344 PolarHBondContact O-N 2.9Å
342	K	98.7	Very high	97	Very high	118 Å²	118	40.8 Å²	40.8	51%	0.513	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22	178.4	71.6	-170.1	-176.5	-170.9	0	114.2	P338 E339 A340	P338-K342 PolarHBondContact O-N 2.57Å; E339-K342 WeakPolarHBondContact O-CE 3.4Å; E339-K342 IonicContact OE1-NZ 3.53Å; E339-K342 IonicContact OE2-NZ 3.98Å; E339-K342 PolarHBondContact OE2-NZ 3.26Å; A340-K342 PolarHBondContact O-N 3.29Å; A340-K342 VanDerWaalsContact O-N 3.14Å
343	Y	98.9	Very high	95.8	Very high	63 Å²	63	39 Å²	39	25%	0.247	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-19.4	178.1	-62.3	-61.6	0	0	0	113.2	G304 P305 A308 E339 A340 A341	G304-Y343 VanDerWaalsContact CA-CG 3.46Å; P305-Y343 HydrophobicContact CG-CE2 3.95Å; A308-Y343 HydrophobicContact CB-CE1 3.99Å; E339-Y343 VanDerWaalsContact O-CD2 3.31Å; E339-Y343 WeakPolarHBondContact O-CD2 3.17Å; E339-Y343 WeakPolarHBondContact O-CE2 3.31Å; A340-Y343 PolarHBondContact O-N 2.78Å; A341-Y343 PolarHBondContact O-N 3.35Å
344	V	98.9	Very high	94.7	Very high	14 Å²	14	39.3 Å²	39.3	9%	0.085	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.3	-176.8	-179.8	0	0	0	0	110.6	I299 M319 V334 L335 A340 A341 G346 T373	I299-V344 HydrophobicContact CD1-CG2 4.1Å; I299-V344 HydrophobicContact CG2-CG2 4.04Å; M319-V344 HydrophobicContact CB-CG1 3.98Å; M319-V344 HydrophobicContact CB-CG2 4.35Å; M319-V344 HydrophobicContact CG-CG1 3.67Å; M319-V344 HydrophobicContact SD-CG1 4.01Å; V334-V344 HydrophobicContact CG1-CG2 4.19Å; L335-V344 HydrophobicContact CD2-CB 3.89Å; L335-V344 HydrophobicContact CD2-CG1 3.86Å; L335-V344 HydrophobicContact CD2-CG2 4.33Å; A340-V344 PolarHBondContact O-N 3.34Å; A341-V344 PolarHBondContact O-N 2.9Å; V344-G346 VanDerWaalsContact CG1-O 3.28Å; V344-G346 WeakPolarHBondContact CG1-O 3.43Å; V344-T373 HydrophobicContact CG1-CG2 4.44Å
345	H	98.9	Very high	93.4	Very high	70 Å²	70	47 Å²	47	32%	0.324	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-34.5	176.1	180	60.3	0	0	0	112.9	R316 L317 L318	R316-H345 HydrophobicContact CB-CB 3.8Å; R316-H345 HydrophobicContact CG-CB 4.32Å; L317-H345 PolarHBondContact O-N 3Å; L318-H345 HydrophobicContact CD2-CB 4.49Å
346	G	98.8	Very high	91.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	176.5	-173.1	0	0	0	0	0	113	L318 M319 V344 M374	L318-G346 VanDerWaalsContact CA-O 3.3Å; L318-G346 WeakPolarHBondContact CA-O 3.37Å; M319-G346 PolarHBondContact N-O 3.21Å; V344-G346 VanDerWaalsContact CG1-O 3.28Å; V344-G346 WeakPolarHBondContact CG1-O 3.43Å; G346-M374 CarbonylContact C-O 3.47Å; G346-M374 WeakPolarHBondContact CA-O 3.32Å
347	I	98.9	Very high	90.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120	178.7	-58.8	162.3	0	0	0	107.4	M319 L320 L327 A331 L335 V349 T366 T373 M374 L375 F376	M319-I347 HydrophobicContact CG-CB 4.33Å; M319-I347 HydrophobicContact CG-CG1 3.77Å; M319-I347 HydrophobicContact SD-CG1 4.02Å; L320-I347 HydrophobicContact CB-CG2 3.9Å; L320-I347 HydrophobicContact CD2-CG2 3.8Å; L327-I347 HydrophobicContact CD1-CG2 4.27Å; L327-I347 HydrophobicContact CD2-CG2 4.2Å; A331-I347 HydrophobicContact CB-CD1 3.84Å; L335-I347 HydrophobicContact CD1-CD1 3.93Å; L335-I347 HydrophobicContact CD1-CG1 4.38Å; I347-V349 HydrophobicContact CG2-CG1 4.22Å; I347-T366 HydrophobicContact CD1-CG2 3.47Å; I347-T366 VanDerWaalsContact CD1-CG2 3.47Å; I347-T373 HydrophobicContact CD1-CG2 4.19Å; I347-T373 HydrophobicContact CG1-CG2 3.94Å; I347-M374 PolarHBondContact N-O 3.38Å; I347-L375 HydrophobicContact CB-CD2 4.01Å; I347-L375 HydrophobicContact CD1-CD2 4.19Å; I347-L375 HydrophobicContact CG2-CD2 4.21Å; I347-F376 PolarHBondContact O-N 3.39Å
348	A	98.9	Very high	90.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	137.5	174.4	0	0	0	0	0	110.2	T270 L318 M319 L320 D321 F376	T270-A348 HydrophobicContact CG2-CB 4.16Å; L318-A348 HydrophobicContact CB-CB 4.01Å; L318-A348 HydrophobicContact CD1-CB 4.27Å; M319-A348 PolarHBondContact O-N 3.19Å; L320-A348 WeakPolarHBondContact CB-O 3.15Å; L320-A348 WeakPolarHBondContact CD2-O 3.21Å; L320-A348 WeakPolarHBondContact CG-O 3.4Å; D321-A348 WeakPolarHBondContact CA-O 3.29Å; D321-A348 HydrophobicContact CB-CB 3.8Å; D321-A348 PolarHBondContact N-O 2.86Å; D321-A348 WeakPolarHBondContact OD1-CB 3.46Å; A348-F376 CarbonylContact C-O 3.34Å; A348-F376 VanDerWaalsContact CA-O 3.25Å; A348-F376 WeakPolarHBondContact CA-O 3.44Å
349	V	98.4	Very high	90.3	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.6	-176.9	-65.2	0	0	0	0	113.1	L320 D322 R324 L327 I347 L363 F376 A377 S378	L320-V349 HydrophobicContact CD2-CG1 4.01Å; D322-V349 CarbonylContact O-C 3.55Å; D322-V349 WeakPolarHBondContact O-CA 3.15Å; R324-V349 HydrophobicContact CB-CB 4.38Å; R324-V349 HydrophobicContact CB-CG1 4.4Å; L327-V349 HydrophobicContact CD1-CG1 3.6Å; I347-V349 HydrophobicContact CG2-CG1 4.22Å; V349-L363 HydrophobicContact CG1-CD2 4.09Å; V349-L363 HydrophobicContact CG2-CD2 4.12Å; V349-F376 PolarHBondContact N-O 2.9Å; V349-A377 HydrophobicContact CG2-CB 4.26Å; V349-A377 WeakPolarHBondContact O-CA 3.43Å; V349-S378 PolarHBondContact O-N 2.79Å
350	H	96.2	Very high	90.1	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	159	175.9	-63.8	-171.3	0	0	0	112.2	E274 D321 D322 R324 Y352 S378 E379	E274-H350 WeakPolarHBondContact CG-ND1 3.31Å; E274-H350 IonicContact OE1-CE1 2.79Å; E274-H350 IonicContact OE1-ND1 2.88Å; E274-H350 PolarHBondContact OE1-ND1 2.87Å; D321-H350 PolarHBondContact O-CE1 2.84Å; D321-H350 VanDerWaalsContact O-CE1 3.28Å; D321-H350 PolarHBondContact O-NE2 2.98Å; D321-H350 IonicContact OD1-CD2 3.09Å; D321-H350 IonicContact OD1-NE2 3.53Å; D321-H350 PolarHBondContact OD1-NE2 2.66Å; D321-H350 VanDerWaalsContact OD1-NE2 3.09Å; D322-H350 PolarHBondContact O-N 3.25Å; R324-H350 PolarHBondContact N-O 2.65Å; H350-Y352 HydrophobicContact CB-CD2 4.11Å; H350-Y352 HydrophobicContact CB-CE2 4.27Å; H350-S378 PolarHBondContact CD2-OG 2.86Å; H350-S378 VanDerWaalsContact CD2-OG 3.28Å; H350-S378 PolarHBondContact NE2-OG 2.94Å; H350-E379 WeakPolarHBondContact CA-O 3.46Å; H350-E379 VanDerWaalsContact CD2-CB 3.48Å; H350-E379 WeakPolarHBondContact CD2-CB 3.43Å; H350-E379 IonicContact CE1-OE2 2.97Å; H350-E379 WeakPolarHBondContact NE2-CB 3.33Å
351	W	84.8	Confident	90	Very high	46 Å²	46	51.4 Å²	51.4	17%	0.174	26%	0.262	C	S	.	.			trans	-104	-7.7	-168	179.3	70.5	0	0	0	116.2	L353 D354 E379 A380 R381 V382 Q401 S405	W351-L353 VanDerWaalsContact C-N 3.32Å; W351-L353 PolarHBondContact O-N 2.94Å; W351-L353 VanDerWaalsContact O-N 3.14Å; W351-D354 WeakPolarHBondContact CA-OD1 3.43Å; W351-D354 PolarHBondContact NE1-OD2 3.29Å; W351-D354 VanDerWaalsContact O-CB 3.32Å; W351-D354 WeakPolarHBondContact O-CB 3.47Å; W351-D354 PolarHBondContact O-N 3.13Å; W351-E379 PolarHBondContact N-O 3.35Å; W351-A380 HydrophobicContact CB-CB 3.81Å; W351-A380 HydrophobicContact CE3-CB 4.44Å; W351-A380 HydrophobicContact CG-CB 4.38Å; W351-R381 WeakPolarHBondContact CZ3-O 3.31Å; W351-V382 HydrophobicContact CH2-CG2 3.92Å; W351-V382 HydrophobicContact CZ3-CB 4.49Å; W351-V382 HydrophobicContact CZ3-CG2 3.8Å; W351-Q401 HydrophobicContact CH2-CB 4Å; W351-Q401 HydrophobicContact CH2-CG 4.46Å; W351-Q401 HydrophobicContact CZ2-CB 4.26Å; W351-S405 PolarHBondContact NE1-OG 2.86Å
352	Y	78.4	Confident	90	Very high	57 Å²	57	50.1 Å²	50.1	22%	0.224	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.1	-163.1	-60.9	-63.7	0	0	0	116.8	H350 E379 R381	H350-Y352 HydrophobicContact CB-CD2 4.11Å; H350-Y352 HydrophobicContact CB-CE2 4.27Å; Y352-E379 HydrophobicContact CE2-CG 4.27Å; Y352-E379 WeakPolarHBondContact CE2-OE1 3.5Å; Y352-E379 WeakPolarHBondContact OH-CG 3.2Å; Y352-E379 PolarHBondContact OH-OE1 2.83Å; Y352-R381 HydrophobicContact CE1-CB 3.73Å; Y352-R381 VanDerWaalsContact CE1-O 3.27Å; Y352-R381 WeakPolarHBondContact CE1-O 3.42Å
353	L	73.1	Confident	89.9	Confident	50 Å²	50	44.6 Å²	44.6	26%	0.262	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	24.4	-177.3	-61.4	-167.5	0	0	0	112.9	Q323 L325 W351 F355 L356	Q323-L353 HydrophobicContact CG-CG 4.39Å; L325-L353 HydrophobicContact CD1-CD1 4.28Å; L325-L353 HydrophobicContact CD2-CD1 4.36Å; W351-L353 VanDerWaalsContact C-N 3.32Å; W351-L353 PolarHBondContact O-N 2.94Å; W351-L353 VanDerWaalsContact O-N 3.14Å; L353-F355 HydrophobicContact CD2-CE1 4.14Å; L353-F355 HydrophobicContact CD2-CZ 4.22Å; L353-F355 PolarHBondContact O-N 3.25Å; L353-F355 VanDerWaalsContact O-N 3.08Å; L353-L356 HydrophobicContact CB-CD1 3.95Å; L353-L356 HydrophobicContact CB-CG 4.38Å; L353-L356 HydrophobicContact CD1-CD1 3.93Å; L353-L356 HydrophobicContact CD2-CD1 4.43Å; L353-L356 HydrophobicContact CG-CD1 4.35Å; L353-L356 WeakPolarHBondContact O-CB 3.42Å; L353-L356 PolarHBondContact O-N 3.06Å
354	D	75.3	Confident	89.9	Confident	27 Å²	27	42.2 Å²	42.2	14%	0.144	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-59.3	-25.2	-173.8	-96.3	34	0	0	0	114.9	R324 W351 L356	R324-D354 IonicContact CZ-OD1 3.78Å; R324-D354 IonicContact CZ-OD2 2.71Å; R324-D354 IonicContact NE-OD1 3.65Å; R324-D354 PolarHBondContact NE-OD1 3.2Å; R324-D354 IonicContact NE-OD2 3.53Å; R324-D354 PolarHBondContact NE-OD2 3.34Å; R324-D354 VanDerWaalsContact NH2-CG 3.25Å; R324-D354 PolarHBondContact NH2-O 3.12Å; R324-D354 IonicContact NH2-OD1 3.89Å; R324-D354 IonicContact NH2-OD2 3.51Å; R324-D354 PolarHBondContact NH2-OD2 2.9Å; W351-D354 WeakPolarHBondContact CA-OD1 3.43Å; W351-D354 PolarHBondContact NE1-OD2 3.29Å; W351-D354 VanDerWaalsContact O-CB 3.32Å; W351-D354 WeakPolarHBondContact O-CB 3.47Å; W351-D354 PolarHBondContact O-N 3.13Å; D354-L356 PolarHBondContact O-N 3.02Å
355	F	71.9	Confident	89.9	Confident	163 Å²	163	44.2 Å²	44.2	72%	0.715	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-69.6	-15.7	176	63.5	-89.5	0	0	0	113.4	L353	L353-F355 HydrophobicContact CD2-CE1 4.14Å; L353-F355 HydrophobicContact CD2-CZ 4.22Å; L353-F355 PolarHBondContact O-N 3.25Å; L353-F355 VanDerWaalsContact O-N 3.08Å
356	L	68.1	Low	89.9	Confident	104 Å²	104	41 Å²	41	55%	0.545	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-83.4	-21.7	-178.8	-64	-177.9	0	0	0	113.6	L325 L353 D354	L325-L356 HydrophobicContact CD1-CD1 4.4Å; L353-L356 HydrophobicContact CB-CD1 3.95Å; L353-L356 HydrophobicContact CB-CG 4.38Å; L353-L356 HydrophobicContact CD1-CD1 3.93Å; L353-L356 HydrophobicContact CD2-CD1 4.43Å; L353-L356 HydrophobicContact CG-CD1 4.35Å; L353-L356 WeakPolarHBondContact O-CB 3.42Å; L353-L356 PolarHBondContact O-N 3.06Å; D354-L356 PolarHBondContact O-N 3.02Å
357	A	77.6	Confident	89.9	Confident	20 Å²	20	43.3 Å²	43.3	17%	0.165	23%	0.226	C	C	.	.	S	Bend	trans	-146	136.9	-177.6	0	0	0	0	0	111.3	R324 T362	R324-A357 PolarHBondContact NH1-O 3.15Å; R324-A357 PolarHBondContact NH2-O 2.73Å; A357-T362 HydrophobicContact CB-CG2 3.94Å
358	P	89.7	Confident	89.9	Confident	97 Å²	97	50.6 Å²	50.6	63%	0.63	25%	0.254	S	S	*	.			trans	-66.2	141.1	171.2	-21	33	0	0	0	112.4	R324 K360 A361	R324-P358 VanDerWaalsContact NH1-C 3.32Å; R324-P358 PolarHBondContact NH1-O 3.31Å; P358-K360 PolarHBondContact O-N 2.85Å; P358-K360 VanDerWaalsContact O-N 3.12Å; P358-A361 PolarHBondContact O-N 3.49Å; P358-A361 VanDerWaalsContact O-N 3.08Å
359	A	94.1	Very high	89.8	Confident	8 Å²	8	53.2 Å²	53.2	7%	0.066	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-28.6	-179	0	0	0	0	0	114.2	A361 T362 L363 G364 T408 Y412	A359-A361 PolarHBondContact O-N 3.11Å; A359-T362 PolarHBondContact O-N 3.14Å; A359-T362 PolarHBondContact O-OG1 3.3Å; A359-L363 HydrophobicContact CB-CD1 4.28Å; A359-L363 WeakPolarHBondContact O-CA 3.45Å; A359-L363 WeakPolarHBondContact O-CB 3.37Å; A359-L363 PolarHBondContact O-N 3Å; A359-G364 PolarHBondContact O-N 2.85Å; A359-G364 VanDerWaalsContact O-N 3.14Å; A359-T408 HydrophobicContact CB-CG2 3.72Å; A359-Y412 HydrophobicContact CB-CD2 3.57Å; A359-Y412 HydrophobicContact CB-CE2 3.8Å; A359-Y412 HydrophobicContact CB-CG 4.18Å
360	K	95.8	Very high	89.9	Confident	148 Å²	148	54.8 Å²	54.8	64%	0.643	27%	0.274	S	S	*	.	I	π-helix	trans	-61.8	-41.8	176.1	-168.1	179.8	-178.4	-157.3	0	112.9	P358 T362 G364 E365 Y412	P358-K360 PolarHBondContact O-N 2.85Å; P358-K360 VanDerWaalsContact O-N 3.12Å; K360-T362 VanDerWaalsContact C-N 3.26Å; K360-T362 PolarHBondContact O-N 2.96Å; K360-G364 WeakPolarHBondContact O-CA 3.44Å; K360-G364 PolarHBondContact O-N 2.91Å; K360-E365 PolarHBondContact O-N 3.42Å; K360-Y412 HydrophobicContact CB-CE1 3.66Å; K360-Y412 HydrophobicContact CG-CE1 3.92Å
361	A	96.2	Very high	90	Very high	58 Å²	58	58 Å²	58	48%	0.479	30%	0.295	S	S	.	.	I	π-helix	trans	-74.3	-20.7	-177.5	0	0	0	0	0	112.4	P358 A359 E365	P358-A361 PolarHBondContact O-N 3.49Å; P358-A361 VanDerWaalsContact O-N 3.08Å; A359-A361 PolarHBondContact O-N 3.11Å; A361-E365 WeakPolarHBondContact O-CB 3.46Å
362	T	97.6	Very high	90.6	Very high	4 Å²	4	63.5 Å²	63.5	3%	0.025	33%	0.328	C	S	.	.	I	π-helix	trans	-104.4	-74.2	-179.3	62.7	0	0	0	0	111.1	R324 A357 A359 K360 T366	R324-T362 WeakPolarHBondContact CD-OG1 3.37Å; R324-T362 PolarHBondContact NH1-OG1 2.87Å; R324-T362 VanDerWaalsContact O-CB 3.23Å; R324-T362 WeakPolarHBondContact O-CB 3.39Å; R324-T362 WeakPolarHBondContact O-CG2 3.46Å; A357-T362 HydrophobicContact CB-CG2 3.94Å; A359-T362 PolarHBondContact O-N 3.14Å; A359-T362 PolarHBondContact O-OG1 3.3Å; K360-T362 VanDerWaalsContact C-N 3.26Å; K360-T362 PolarHBondContact O-N 2.96Å; T362-T366 VanDerWaalsContact O-CB 3.29Å; T362-T366 WeakPolarHBondContact O-CB 3.4Å; T362-T366 PolarHBondContact O-N 3.1Å; T362-T366 PolarHBondContact O-OG1 3.04Å
363	L	98.1	Very high	91.6	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.325	C	S	.	.	I	π-helix	trans	-67.4	-47.4	-176	-58.5	178.1	0	0	0	111.2	R324 L327 V349 A359 E365 T366 H367 L375 V414	R324-L363 HydrophobicContact CB-CD2 4.29Å; L327-L363 HydrophobicContact CD1-CD2 4.24Å; V349-L363 HydrophobicContact CG1-CD2 4.09Å; V349-L363 HydrophobicContact CG2-CD2 4.12Å; A359-L363 HydrophobicContact CB-CD1 4.28Å; A359-L363 WeakPolarHBondContact O-CA 3.45Å; A359-L363 WeakPolarHBondContact O-CB 3.37Å; A359-L363 PolarHBondContact O-N 3Å; L363-E365 PolarHBondContact O-N 2.9Å; L363-T366 PolarHBondContact O-N 2.73Å; L363-H367 WeakPolarHBondContact O-CB 3.46Å; L363-H367 PolarHBondContact O-N 3.29Å; L363-L375 HydrophobicContact CB-CD1 4.21Å; L363-L375 HydrophobicContact CD2-CD1 4.37Å; L363-L375 HydrophobicContact CD2-CD2 4.33Å; L363-V414 HydrophobicContact CD1-CG2 3.88Å; L363-V414 HydrophobicContact CD2-CG2 4.44Å
364	G	98	Very high	92.8	Very high	14 Å²	14	61 Å²	61	14%	0.144	32%	0.319	C	S	.	.	I	π-helix	trans	-60.7	-47.5	180	0	0	0	0	0	112.7	A359 K360 H367 R368	A359-G364 PolarHBondContact O-N 2.85Å; A359-G364 VanDerWaalsContact O-N 3.14Å; K360-G364 WeakPolarHBondContact O-CA 3.44Å; K360-G364 PolarHBondContact O-N 2.91Å; G364-H367 PolarHBondContact O-N 2.84Å; G364-R368 WeakPolarHBondContact O-CB 3.29Å; G364-R368 PolarHBondContact O-N 2.96Å
365	E	98.5	Very high	93.9	Very high	56 Å²	56	59.9 Å²	59.9	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-67.3	-36.9	177.8	-175.5	59.6	-170.8	0	0	112.5	P328 K360 A361 L363 R368 L369	P328-E365 HydrophobicContact CB-CG 4.22Å; P328-E365 HydrophobicContact CG-CB 4.49Å; P328-E365 HydrophobicContact CG-CG 3.87Å; K360-E365 PolarHBondContact O-N 3.42Å; A361-E365 WeakPolarHBondContact O-CB 3.46Å; L363-E365 PolarHBondContact O-N 2.9Å; E365-R368 WeakPolarHBondContact O-CB 3.16Å; E365-R368 PolarHBondContact O-N 3.44Å; E365-R368 IonicContact OE1-CZ 3.64Å; E365-R368 IonicContact OE1-NE 3.67Å; E365-R368 PolarHBondContact OE1-NE 2.9Å; E365-R368 IonicContact OE1-NH2 3.67Å; E365-R368 PolarHBondContact OE1-NH2 3.09Å; E365-R368 IonicContact OE2-CZ 2.64Å; E365-R368 IonicContact OE2-NE 3.42Å; E365-R368 PolarHBondContact OE2-NE 3.03Å; E365-R368 IonicContact OE2-NH2 3.97Å; E365-L369 HydrophobicContact CG-CD1 4.15Å; E365-L369 VanDerWaalsContact O-CG 3.3Å; E365-L369 WeakPolarHBondContact O-CG 3.14Å; E365-L369 PolarHBondContact O-N 2.93Å
366	T	98.8	Very high	95.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-46.6	176	-58.2	0	0	0	0	111.3	L327 A331 I347 T362 L363 R368 L369 F370 L375	L327-T366 WeakPolarHBondContact CB-OG1 3.44Å; L327-T366 HydrophobicContact CD1-CG2 4.37Å; L327-T366 HydrophobicContact CD2-CG2 4.12Å; A331-T366 HydrophobicContact CB-CG2 3.82Å; I347-T366 HydrophobicContact CD1-CG2 3.47Å; I347-T366 VanDerWaalsContact CD1-CG2 3.47Å; T362-T366 VanDerWaalsContact O-CB 3.29Å; T362-T366 WeakPolarHBondContact O-CB 3.4Å; T362-T366 PolarHBondContact O-N 3.1Å; T362-T366 PolarHBondContact O-OG1 3.04Å; L363-T366 PolarHBondContact O-N 2.73Å; T366-R368 VanDerWaalsContact C-N 3.3Å; T366-R368 PolarHBondContact O-N 3.46Å; T366-L369 PolarHBondContact O-N 3.32Å; T366-F370 PolarHBondContact O-N 2.97Å; T366-L375 HydrophobicContact CG2-CD2 4.03Å
367	H	98.8	Very high	96.7	Very high	50 Å²	50	47.3 Å²	47.3	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-38	175.1	-176.6	67.6	0	0	0	111.9	L363 G364 L369 F370 P371 L375 H413	L363-H367 WeakPolarHBondContact O-CB 3.46Å; L363-H367 PolarHBondContact O-N 3.29Å; G364-H367 PolarHBondContact O-N 2.84Å; H367-L369 VanDerWaalsContact C-N 3.29Å; H367-L369 PolarHBondContact O-N 3.49Å; H367-F370 CarbonylContact O-C 3.44Å; H367-F370 PolarHBondContact O-N 3.24Å; H367-P371 PolarHBondContact CE1-O 3.28Å; H367-P371 WeakPolarHBondContact O-CA 3.32Å; H367-P371 WeakPolarHBondContact O-CB 3.38Å; H367-P371 WeakPolarHBondContact O-CD 3.4Å; H367-L375 HydrophobicContact CB-CD1 4.09Å; H367-H413 HydrophobicContact CB-CB 4.17Å; H367-H413 AromaticContact CD2-CD2 3.16Å; H367-H413 PolarHBondContact CD2-CD2 3.39Å; H367-H413 AromaticContact CD2-CE1 3.7Å; H367-H413 AromaticContact CD2-CG 3.28Å; H367-H413 AromaticContact CD2-ND1 3.63Å; H367-H413 AromaticContact CD2-NE2 3.44Å; H367-H413 PolarHBondContact CD2-NE2 2.77Å; H367-H413 AromaticContact CG-CD2 3.42Å; H367-H413 VanDerWaalsContact CG-CD2 3.42Å; H367-H413 AromaticContact CG-CG 3.5Å; H367-H413 AromaticContact ND1-CG 3.98Å; H367-H413 AromaticContact NE2-CD2 4Å; H367-H413 AromaticContact NE2-CE1 3.99Å; H367-H413 AromaticContact NE2-CG 3.66Å; H367-H413 AromaticContact NE2-ND1 3.68Å
368	R	98.7	Very high	97.7	Very high	153 Å²	153	46.4 Å²	46.4	58%	0.577	25%	0.247	S	C	*	.	H	α-helix	trans	-60.6	-39.1	175.9	-168.3	-168	69.8	74.3	-2.2	112.3	G364 E365 T366	G364-R368 WeakPolarHBondContact O-CB 3.29Å; G364-R368 PolarHBondContact O-N 2.96Å; E365-R368 WeakPolarHBondContact O-CB 3.16Å; E365-R368 PolarHBondContact O-N 3.44Å; E365-R368 IonicContact OE1-CZ 3.64Å; E365-R368 IonicContact OE1-NE 3.67Å; E365-R368 PolarHBondContact OE1-NE 2.9Å; E365-R368 IonicContact OE1-NH2 3.67Å; E365-R368 PolarHBondContact OE1-NH2 3.09Å; E365-R368 IonicContact OE2-CZ 2.64Å; E365-R368 IonicContact OE2-NE 3.42Å; E365-R368 PolarHBondContact OE2-NE 3.03Å; E365-R368 IonicContact OE2-NH2 3.97Å; T366-R368 VanDerWaalsContact C-N 3.3Å; T366-R368 PolarHBondContact O-N 3.46Å
369	L	98.8	Very high	98	Very high	55 Å²	55	42.2 Å²	42.2	29%	0.288	22%	0.219	S	C	.	.	H	α-helix	trans	-79.5	-38.4	-179.7	-68.7	167.6	0	0	0	112.5	P328 K332 E365 T366 H367	P328-L369 HydrophobicContact CB-CD1 4.01Å; K332-L369 HydrophobicContact CD-CD1 4.38Å; K332-L369 HydrophobicContact CG-CD1 4.22Å; E365-L369 HydrophobicContact CG-CD1 4.15Å; E365-L369 VanDerWaalsContact O-CG 3.3Å; E365-L369 WeakPolarHBondContact O-CG 3.14Å; E365-L369 PolarHBondContact O-N 2.93Å; T366-L369 PolarHBondContact O-N 3.32Å; H367-L369 VanDerWaalsContact C-N 3.29Å; H367-L369 PolarHBondContact O-N 3.49Å
370	F	98.8	Very high	97.9	Very high	36 Å²	36	41.9 Å²	41.9	16%	0.158	22%	0.216	C	C	.	.			trans	-131.1	64.8	-174	-53.8	-73.6	0	0	0	111.2	A331 K332 L335 T336 T366 H367 N372 T373	A331-F370 HydrophobicContact CB-CD2 3.98Å; A331-F370 HydrophobicContact CB-CE2 3.9Å; K332-F370 HydrophobicContact CG-CE2 4.22Å; K332-F370 HydrophobicContact CG-CZ 4.39Å; L335-F370 HydrophobicContact CB-CD1 3.78Å; L335-F370 HydrophobicContact CB-CE1 3.57Å; L335-F370 HydrophobicContact CB-CE2 4.42Å; L335-F370 HydrophobicContact CB-CG 4.31Å; L335-F370 HydrophobicContact CB-CZ 3.92Å; L335-F370 HydrophobicContact CD1-CB 3.98Å; L335-F370 HydrophobicContact CD1-CD1 3.94Å; L335-F370 HydrophobicContact CD1-CD2 3.89Å; L335-F370 HydrophobicContact CD1-CE1 4.42Å; L335-F370 HydrophobicContact CD1-CE2 4.37Å; L335-F370 HydrophobicContact CD1-CG 3.65Å; T336-F370 HydrophobicContact CG2-CE1 4.4Å; T336-F370 HydrophobicContact CG2-CZ 4.11Å; T366-F370 PolarHBondContact O-N 2.97Å; H367-F370 CarbonylContact O-C 3.44Å; H367-F370 PolarHBondContact O-N 3.24Å; F370-N372 PolarHBondContact O-N 3.06Å; F370-N372 VanDerWaalsContact O-N 3.12Å; F370-T373 PolarHBondContact O-N 3.49Å; F370-T373 VanDerWaalsContact O-N 3.09Å
371	P	98.5	Very high	97.5	Very high	70 Å²	70	38.1 Å²	38.1	46%	0.455	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.1	-169.3	25.5	-35.6	0	0	0	114.2	H367	H367-P371 PolarHBondContact CE1-O 3.28Å; H367-P371 WeakPolarHBondContact O-CA 3.32Å; H367-P371 WeakPolarHBondContact O-CB 3.38Å; H367-P371 WeakPolarHBondContact O-CD 3.4Å
372	N	98.3	Very high	96.8	Very high	161 Å²	161	36 Å²	36	86%	0.861	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.6	-179.9	-63	-36	0	0	0	113.3	F370	F370-N372 PolarHBondContact O-N 3.06Å; F370-N372 VanDerWaalsContact O-N 3.12Å
373	T	98.8	Very high	95.4	Very high	25 Å²	25	38.1 Å²	38.1	15%	0.153	20%	0.201	C	C	.	.	S	Bend	trans	-97.7	113.3	174.2	-54.3	0	0	0	0	107.8	L335 V344 I347 F370	L335-T373 HydrophobicContact CD1-CG2 3.93Å; L335-T373 HydrophobicContact CD2-CG2 4.47Å; V344-T373 HydrophobicContact CG1-CG2 4.44Å; I347-T373 HydrophobicContact CD1-CG2 4.19Å; I347-T373 HydrophobicContact CG1-CG2 3.94Å; F370-T373 PolarHBondContact O-N 3.49Å; F370-T373 VanDerWaalsContact O-N 3.09Å
374	M	98.8	Very high	93.7	Very high	31 Å²	31	39.8 Å²	39.8	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	148.6	-172.4	65.9	80.2	143.3	0	0	111.9	W267 L318 G346 I347 F376 V415	W267-M374 HydrophobicContact CH2-CE 3.71Å; W267-M374 HydrophobicContact CZ2-CE 3.53Å; L318-M374 HydrophobicContact CD1-CE 4.39Å; L318-M374 HydrophobicContact CD2-CE 3.61Å; L318-M374 HydrophobicContact CD2-SD 4.26Å; G346-M374 CarbonylContact C-O 3.47Å; G346-M374 WeakPolarHBondContact CA-O 3.32Å; I347-M374 PolarHBondContact N-O 3.38Å; M374-F376 HydrophobicContact CE-CB 4.03Å; M374-F376 HydrophobicContact CE-CG 4.49Å; M374-F376 HydrophobicContact SD-CB 3.69Å; M374-V415 HydrophobicContact CB-CG1 4.05Å; M374-V415 HydrophobicContact CB-CG2 4.33Å; M374-V415 HydrophobicContact CE-CG2 4.21Å; M374-V415 HydrophobicContact CG-CG2 4.46Å; M374-V415 HydrophobicContact SD-CG2 3.88Å
375	L	98.9	Very high	92.2	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.8	170.7	-69.4	164.4	0	0	0	108.9	L327 I347 L363 T366 H367 V414 V415	L327-L375 HydrophobicContact CD1-CD2 4.31Å; I347-L375 HydrophobicContact CB-CD2 4.01Å; I347-L375 HydrophobicContact CD1-CD2 4.19Å; I347-L375 HydrophobicContact CG2-CD2 4.21Å; L363-L375 HydrophobicContact CB-CD1 4.21Å; L363-L375 HydrophobicContact CD2-CD1 4.37Å; L363-L375 HydrophobicContact CD2-CD2 4.33Å; T366-L375 HydrophobicContact CG2-CD2 4.03Å; H367-L375 HydrophobicContact CB-CD1 4.09Å; L375-V414 HydrophobicContact CB-CG2 3.97Å; L375-V414 CarbonylContact O-C 3.55Å; L375-V414 WeakPolarHBondContact O-CA 3.48Å; L375-V415 WeakPolarHBondContact O-CG2 3.36Å; L375-V415 PolarHBondContact O-N 2.99Å
376	F	98.9	Very high	90.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.5	-178.4	-178.2	-96	0	0	0	110.6	K118 I157 L214 W267 L318 I347 A348 V349 M374 S378 V415 T418	K118-F376 HydrophobicContact CG-CE2 4.3Å; I157-F376 HydrophobicContact CD1-CE2 3.53Å; I157-F376 HydrophobicContact CD1-CZ 3.53Å; I157-F376 HydrophobicContact CG2-CZ 4.33Å; L214-F376 HydrophobicContact CD2-CD1 4.38Å; L214-F376 HydrophobicContact CD2-CE1 3.7Å; W267-F376 HydrophobicContact CH2-CD2 4.03Å; W267-F376 AromaticContact CH2-CE2 3.99Å; W267-F376 HydrophobicContact CH2-CE2 3.99Å; W267-F376 HydrophobicContact CH2-CG 4.37Å; W267-F376 HydrophobicContact CH2-CZ 4.3Å; W267-F376 HydrophobicContact CZ3-CE1 4.4Å; W267-F376 HydrophobicContact CZ3-CE2 4.16Å; W267-F376 HydrophobicContact CZ3-CZ 4.06Å; L318-F376 HydrophobicContact CD1-CD1 4.22Å; I347-F376 PolarHBondContact O-N 3.39Å; A348-F376 CarbonylContact C-O 3.34Å; A348-F376 VanDerWaalsContact CA-O 3.25Å; A348-F376 WeakPolarHBondContact CA-O 3.44Å; V349-F376 PolarHBondContact N-O 2.9Å; M374-F376 HydrophobicContact CE-CB 4.03Å; M374-F376 HydrophobicContact CE-CG 4.49Å; M374-F376 HydrophobicContact SD-CB 3.69Å; F376-S378 PolarHBondContact O-N 3.49Å; F376-V415 HydrophobicContact CB-CG2 4.37Å; F376-V415 HydrophobicContact CD2-CG2 3.99Å; F376-T418 WeakPolarHBondContact CE1-OG1 3.3Å; F376-T418 WeakPolarHBondContact CZ-OG1 3.48Å
377	A	98.6	Very high	89.1	Confident	4 Å²	4	59 Å²	59	3%	0.033	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	105.3	174	0	0	0	0	0	109.2	V349 V414 G416 W417 T418	V349-A377 HydrophobicContact CG2-CB 4.26Å; V349-A377 WeakPolarHBondContact O-CA 3.43Å; A377-V414 HydrophobicContact CB-CG1 4.13Å; A377-G416 PolarHBondContact N-O 3.12Å; A377-W417 HydrophobicContact CB-CB 4.35Å; A377-W417 HydrophobicContact CB-CG 4.08Å; A377-W417 CarbonylContact O-C 3.44Å; A377-W417 WeakPolarHBondContact O-CA 3.48Å; A377-T418 PolarHBondContact O-N 2.74Å; A377-T418 PolarHBondContact O-OG1 2.93Å; A377-T418 VanDerWaalsContact O-OG1 3.12Å
378	S	98.5	Very high	88	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-19.5	-173	46.5	0	0	0	0	113.8	R159 D321 V349 H350 F376 T418	R159-S378 WeakPolarHBondContact CD-O 3.37Å; D321-S378 WeakPolarHBondContact OD1-CB 3.47Å; D321-S378 PolarHBondContact OD1-OG 3.45Å; V349-S378 PolarHBondContact O-N 2.79Å; H350-S378 PolarHBondContact CD2-OG 2.86Å; H350-S378 VanDerWaalsContact CD2-OG 3.28Å; H350-S378 PolarHBondContact NE2-OG 2.94Å; F376-S378 PolarHBondContact O-N 3.49Å; S378-T418 WeakPolarHBondContact O-CB 3.04Å
379	E	97	Very high	87.1	Confident	10 Å²	10	57.5 Å²	57.5	5%	0.047	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	135.4	178.1	-164.5	-179.6	126.1	0	0	112	R159 N273 H350 W351 Y352 T418 W420	R159-E379 IonicContact CZ-OE2 3.44Å; R159-E379 IonicContact NH1-OE2 2.78Å; R159-E379 PolarHBondContact NH1-OE2 2.84Å; R159-E379 IonicContact NH2-OE2 3.26Å; N273-E379 PolarHBondContact OD1-OE2 2.83Å; H350-E379 WeakPolarHBondContact CA-O 3.46Å; H350-E379 VanDerWaalsContact CD2-CB 3.48Å; H350-E379 WeakPolarHBondContact CD2-CB 3.43Å; H350-E379 IonicContact CE1-OE2 2.97Å; H350-E379 WeakPolarHBondContact NE2-CB 3.33Å; W351-E379 PolarHBondContact N-O 3.35Å; Y352-E379 HydrophobicContact CE2-CG 4.27Å; Y352-E379 WeakPolarHBondContact CE2-OE1 3.5Å; Y352-E379 WeakPolarHBondContact OH-CG 3.2Å; Y352-E379 PolarHBondContact OH-OE1 2.83Å; E379-T418 CarbonylContact C-O 3.53Å; E379-T418 WeakPolarHBondContact CA-O 3.34Å; E379-W420 HydrophobicContact CG-CB 4.05Å; E379-W420 HydrophobicContact CG-CD2 3.72Å; E379-W420 HydrophobicContact CG-CE3 3.52Å; E379-W420 HydrophobicContact CG-CG 3.97Å; E379-W420 HydrophobicContact CG-CZ3 4.44Å
380	A	92.1	Very high	86.5	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.008	30%	0.297	C	S	.	.			trans	-151.9	136.5	167.8	0	0	0	0	0	110.7	W351 W417 T418 D419 W420	W351-A380 HydrophobicContact CB-CB 3.81Å; W351-A380 HydrophobicContact CE3-CB 4.44Å; W351-A380 HydrophobicContact CG-CB 4.38Å; A380-W417 HydrophobicContact CB-CH2 3.51Å; A380-W417 HydrophobicContact CB-CZ2 3.12Å; A380-W417 HydrophobicContact CB-CZ3 4.47Å; A380-T418 PolarHBondContact N-O 2.87Å; A380-D419 VanDerWaalsContact O-OD1 3.08Å; A380-W420 PolarHBondContact O-N 3.21Å
381	R	86.8	Confident	86.1	Confident	69 Å²	69	60.2 Å²	60.2	26%	0.26	31%	0.312	S	S	.	.			trans	-144.5	143	170	166.1	-155.6	-167.6	-167.8	6.1	109.7	W351 Y352 G383 W420	W351-R381 WeakPolarHBondContact CZ3-O 3.31Å; Y352-R381 HydrophobicContact CE1-CB 3.73Å; Y352-R381 VanDerWaalsContact CE1-O 3.27Å; Y352-R381 WeakPolarHBondContact CE1-O 3.42Å; R381-G383 PolarHBondContact O-N 2.82Å; R381-G383 VanDerWaalsContact O-N 3.14Å; R381-W420 HydrophobicContact CB-CB 3.83Å; R381-W420 HydrophobicContact CB-CG 4.49Å
382	V	82.5	Confident	85.8	Confident	13 Å²	13	60.2 Å²	60.2	8%	0.079	30%	0.303	C	S	.	.			trans	-73.8	106.8	167	176	0	0	0	0	109.6	W351 R398 Q401 Y402	W351-V382 HydrophobicContact CH2-CG2 3.92Å; W351-V382 HydrophobicContact CZ3-CB 4.49Å; W351-V382 HydrophobicContact CZ3-CG2 3.8Å; V382-R398 HydrophobicContact CB-CG 4.38Å; V382-R398 HydrophobicContact CG1-CG 3.82Å; V382-R398 HydrophobicContact CG2-CB 4.39Å; V382-Q401 HydrophobicContact CG2-CB 4.1Å; V382-Y402 HydrophobicContact CB-CE2 4.23Å; V382-Y402 HydrophobicContact CG2-CD2 3.76Å; V382-Y402 HydrophobicContact CG2-CE2 3.47Å; V382-Y402 VanDerWaalsContact CG2-CE2 3.47Å
383	G	66.4	Low	85.7	Confident	48 Å²	48	56 Å²	56	50%	0.495	28%	0.28	S	S	.	.			trans	-63.2	162.1	169.3	0	0	0	0	0	112.1	R381	R381-G383 PolarHBondContact O-N 2.82Å; R381-G383 VanDerWaalsContact O-N 3.14Å
384	S	62.7	Low	85.6	Confident	36 Å²	36	55.5 Å²	55.5	25%	0.252	28%	0.279	S	S	.	.			trans	-114.9	151	165.9	-57.9	0	0	0	0	108	Q389 S390 R398	S384-Q389 PolarHBondContact OG-O 3.5Å; S384-S390 VanDerWaalsContact OG-CA 3.28Å; S384-S390 WeakPolarHBondContact OG-CA 3.37Å; S384-S390 PolarHBondContact OG-O 3.13Å; S384-R398 PolarHBondContact OG-NH2 2.77Å
385	K	66.6	Low	85.4	Confident	115 Å²	115	54.8 Å²	54.8	50%	0.5	28%	0.278	S	S	.	.			trans	-61.4	152.7	168.3	-55.2	-175.7	-171.7	177.4	0	108.2	W387 E388	K385-W387 HydrophobicContact CB-CD2 3.82Å; K385-W387 HydrophobicContact CB-CE3 3.89Å; K385-W387 HydrophobicContact CB-CH2 4.11Å; K385-W387 HydrophobicContact CB-CZ2 4.01Å; K385-W387 HydrophobicContact CB-CZ3 4.02Å; K385-W387 HydrophobicContact CD-CD2 4.5Å; K385-W387 HydrophobicContact CD-CH2 3.63Å; K385-W387 HydrophobicContact CD-CZ2 3.2Å; K385-W387 HydrophobicContact CD-CZ3 4.38Å; K385-W387 HydrophobicContact CG-CH2 4.36Å; K385-W387 HydrophobicContact CG-CZ2 4.2Å; K385-W387 PolarHBondContact O-N 3.32Å; K385-E388 HydrophobicContact CB-CB 4.37Å; K385-E388 HydrophobicContact CB-CG 3.98Å; K385-E388 HydrophobicContact CG-CG 4.49Å; K385-E388 WeakPolarHBondContact CG-OE2 3.19Å; K385-E388 PolarHBondContact N-OE2 2.96Å; K385-E388 PolarHBondContact O-N 3.43Å
386	F	69.2	Low	85.3	Confident	193 Å²	193	57.7 Å²	57.7	85%	0.846	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.2	-175.2	67.7	-102.5	0	0	0	114
387	W	63.8	Low	85.1	Confident	166 Å²	166	61.3 Å²	61.3	63%	0.629	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	2.1	176.9	64.5	87.4	0	0	0	114.2	K385	K385-W387 HydrophobicContact CB-CD2 3.82Å; K385-W387 HydrophobicContact CB-CE3 3.89Å; K385-W387 HydrophobicContact CB-CH2 4.11Å; K385-W387 HydrophobicContact CB-CZ2 4.01Å; K385-W387 HydrophobicContact CB-CZ3 4.02Å; K385-W387 HydrophobicContact CD-CD2 4.5Å; K385-W387 HydrophobicContact CD-CH2 3.63Å; K385-W387 HydrophobicContact CD-CZ2 3.2Å; K385-W387 HydrophobicContact CD-CZ3 4.38Å; K385-W387 HydrophobicContact CG-CH2 4.36Å; K385-W387 HydrophobicContact CG-CZ2 4.2Å; K385-W387 PolarHBondContact O-N 3.32Å
388	E	74.6	Confident	84.8	Confident	60 Å²	60	63.1 Å²	63.1	28%	0.28	31%	0.314	S	S	.	.	S	Bend	trans	-108.4	145.8	179.8	-66.9	-179.1	145.9	0	0	110.6	K385 S390 R392	K385-E388 HydrophobicContact CB-CB 4.37Å; K385-E388 HydrophobicContact CB-CG 3.98Å; K385-E388 HydrophobicContact CG-CG 4.49Å; K385-E388 WeakPolarHBondContact CG-OE2 3.19Å; K385-E388 PolarHBondContact N-OE2 2.96Å; K385-E388 PolarHBondContact O-N 3.43Å; E388-S390 PolarHBondContact O-N 2.78Å; E388-R392 IonicContact OE1-CZ 2.85Å; E388-R392 IonicContact OE1-NH2 3.16Å; E388-R392 PolarHBondContact OE1-NH2 3.23Å; E388-R392 IonicContact OE2-CZ 3.07Å; E388-R392 IonicContact OE2-NH2 3.97Å; E388-R392 PolarHBondContact OE2-NH2 3.02Å; E388-R392 VanDerWaalsContact OE2-NH2 3.07Å
389	Q	80.9	Confident	84.6	Confident	113 Å²	113	65.1 Å²	65.1	53%	0.528	34%	0.335	S	S	.	.			trans	-60.7	133.9	174.5	65.5	-176.5	60.1	0	0	111.9	Y50 S384 V391 R392	Y50-Q389 PolarHBondContact OH-NE2 3.38Å; Y50-Q389 PolarHBondContact OH-OE1 2.88Å; S384-Q389 PolarHBondContact OG-O 3.5Å; Q389-V391 VanDerWaalsContact C-N 3.31Å; Q389-V391 WeakPolarHBondContact CG-O 3.42Å; Q389-V391 PolarHBondContact NE2-O 2.89Å; Q389-V391 PolarHBondContact O-N 3.23Å; Q389-R392 HydrophobicContact CG-CG 4.17Å
390	S	85.4	Confident	84.6	Confident	71 Å²	71	68.9 Å²	68.9	50%	0.497	35%	0.353	S	S	.	.	S	Bend	trans	-60.4	-37.6	-177.9	-61.5	0	0	0	0	113	S384 E388 R398	S384-S390 VanDerWaalsContact OG-CA 3.28Å; S384-S390 WeakPolarHBondContact OG-CA 3.37Å; S384-S390 PolarHBondContact OG-O 3.13Å; E388-S390 PolarHBondContact O-N 2.78Å; S390-R398 PolarHBondContact O-NH1 3.22Å; S390-R398 PolarHBondContact O-NH2 3.18Å
391	V	91.4	Very high	84.6	Confident	76 Å²	76	72.5 Å²	72.5	46%	0.461	37%	0.37	S	S	.	.			trans	-109.4	124.4	-177.9	-179.2	0	0	0	0	110.3	Q389 L393	Q389-V391 VanDerWaalsContact C-N 3.31Å; Q389-V391 WeakPolarHBondContact CG-O 3.42Å; Q389-V391 PolarHBondContact NE2-O 2.89Å; Q389-V391 PolarHBondContact O-N 3.23Å; V391-L393 HydrophobicContact CG1-CD2 4Å; V391-L393 HydrophobicContact CG1-CG 4.14Å
392	R	92.1	Very high	85	Confident	71 Å²	71	72.1 Å²	72.1	27%	0.268	37%	0.369	S	S	.	.			trans	-118.6	89.6	175	-64.9	-173.9	178.5	-171.8	-1.7	110.4	Y50 E388 Q389 G394 S395	Y50-R392 HydrophobicContact CD1-CB 4.23Å; Y50-R392 HydrophobicContact CD2-CB 4.14Å; Y50-R392 HydrophobicContact CE1-CB 3.98Å; Y50-R392 HydrophobicContact CE1-CG 3.84Å; Y50-R392 HydrophobicContact CE2-CB 3.85Å; Y50-R392 HydrophobicContact CE2-CG 4.21Å; Y50-R392 HydrophobicContact CG-CB 4.32Å; E388-R392 IonicContact OE1-CZ 2.85Å; E388-R392 IonicContact OE1-NH2 3.16Å; E388-R392 PolarHBondContact OE1-NH2 3.23Å; E388-R392 IonicContact OE2-CZ 3.07Å; E388-R392 IonicContact OE2-NH2 3.97Å; E388-R392 PolarHBondContact OE2-NH2 3.02Å; E388-R392 VanDerWaalsContact OE2-NH2 3.07Å; Q389-R392 HydrophobicContact CG-CG 4.17Å; R392-G394 PolarHBondContact O-N 3.22Å; R392-G394 VanDerWaalsContact O-N 3.13Å; R392-S395 WeakPolarHBondContact O-CB 3.25Å; R392-S395 PolarHBondContact O-N 2.76Å; R392-S395 VanDerWaalsContact O-N 3.12Å
393	L	95.5	Very high	85.7	Confident	73 Å²	73	74.3 Å²	74.3	38%	0.382	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	111	-174.9	-67.2	171.8	0	0	0	111.5	F48 Y50 V54 V391	F48-L393 HydrophobicContact CB-CB 3.88Å; F48-L393 HydrophobicContact CD1-CB 4.43Å; F48-L393 HydrophobicContact CD1-CD1 3.69Å; F48-L393 HydrophobicContact CD2-CB 3.59Å; F48-L393 HydrophobicContact CD2-CD1 3.95Å; F48-L393 HydrophobicContact CD2-CG 4.4Å; F48-L393 HydrophobicContact CE1-CD1 3.64Å; F48-L393 HydrophobicContact CE2-CB 4.19Å; F48-L393 HydrophobicContact CE2-CD1 3.91Å; F48-L393 HydrophobicContact CG-CB 3.72Å; F48-L393 HydrophobicContact CG-CD1 3.84Å; F48-L393 HydrophobicContact CG-CG 4.44Å; F48-L393 HydrophobicContact CZ-CD1 3.75Å; Y50-L393 WeakPolarHBondContact CD2-O 3.31Å; V54-L393 HydrophobicContact CG1-CB 4.12Å; V54-L393 HydrophobicContact CG1-CD2 4.4Å; V391-L393 HydrophobicContact CG1-CD2 4Å; V391-L393 HydrophobicContact CG1-CG 4.14Å
394	G	96.1	Very high	87.1	Confident	13 Å²	13	78.1 Å²	78.1	13%	0.134	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	18.5	-179.6	0	0	0	0	0	114.6	S52 V54 R392 W396	S52-G394 CarbonylContact C-O 3.58Å; S52-G394 WeakPolarHBondContact CA-O 3.47Å; S52-G394 WeakPolarHBondContact CB-O 3.43Å; S52-G394 PolarHBondContact N-O 2.68Å; V54-G394 VanDerWaalsContact CG1-N 3.26Å; R392-G394 PolarHBondContact O-N 3.22Å; R392-G394 VanDerWaalsContact O-N 3.13Å; G394-W396 PolarHBondContact O-N 3.03Å
395	S	96.4	Very high	88.6	Confident	17 Å²	17	76.6 Å²	76.6	12%	0.119	38%	0.379	C	S	.	.			trans	-71.8	106.8	175.2	-177	0	0	0	0	112.2	R392 D397 R398	R392-S395 WeakPolarHBondContact O-CB 3.25Å; R392-S395 PolarHBondContact O-N 2.76Å; R392-S395 VanDerWaalsContact O-N 3.12Å; S395-D397 VanDerWaalsContact C-N 3.28Å; S395-D397 PolarHBondContact O-N 3.41Å; S395-R398 PolarHBondContact O-N 3.43Å
396	W	96.8	Very high	90.1	Very high	62 Å²	62	73 Å²	73	24%	0.235	36%	0.364	C	S	.	.	H	α-helix	trans	-64.4	-34.2	174.8	-168.5	-101.6	0	0	0	112.3	S51 T82 R83 G394 R398 G399 M400	S51-W396 WeakPolarHBondContact OG-CB 3.31Å; S51-W396 PolarHBondContact OG-N 3.15Å; S51-W396 VanDerWaalsContact OG-N 3.07Å; T82-W396 VanDerWaalsContact O-CZ3 3.29Å; T82-W396 WeakPolarHBondContact O-CZ3 3.24Å; R83-W396 HydrophobicContact CB-CB 4.47Å; R83-W396 HydrophobicContact CB-CD2 3.8Å; R83-W396 HydrophobicContact CB-CE3 4.4Å; R83-W396 HydrophobicContact CB-CG 3.79Å; R83-W396 HydrophobicContact CG-CB 3.96Å; R83-W396 HydrophobicContact CG-CD2 4.26Å; R83-W396 HydrophobicContact CG-CG 3.81Å; G394-W396 PolarHBondContact O-N 3.03Å; W396-R398 VanDerWaalsContact C-N 3.27Å; W396-R398 PolarHBondContact O-N 3.09Å; W396-G399 PolarHBondContact O-N 3.33Å; W396-G399 VanDerWaalsContact O-N 3.09Å; W396-M400 WeakPolarHBondContact O-CG 3.5Å; W396-M400 PolarHBondContact O-N 2.86Å
397	D	93.9	Very high	91.4	Very high	77 Å²	77	68.4 Å²	68.4	41%	0.412	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-32.3	-178.6	-52.5	-43.8	0	0	0	112.2	S395 M400 Q401	S395-D397 VanDerWaalsContact C-N 3.28Å; S395-D397 PolarHBondContact O-N 3.41Å; D397-M400 HydrophobicContact CB-CE 4.37Å; D397-M400 VanDerWaalsContact OD1-CE 3.24Å; D397-M400 WeakPolarHBondContact OD1-CE 3.49Å; D397-Q401 WeakPolarHBondContact O-CG 3.19Å; D397-Q401 PolarHBondContact O-N 3.11Å; D397-Q401 PolarHBondContact O-NE2 2.72Å
398	R	92.8	Very high	93	Very high	41 Å²	41	62 Å²	62	16%	0.155	33%	0.327	C	S	.	.	H	α-helix	trans	-70.3	-40.2	172.3	-65.1	-164.1	172.9	177	-0.8	111.8	V382 S384 S390 S395 W396 M400 Q401 Y402	V382-R398 HydrophobicContact CB-CG 4.38Å; V382-R398 HydrophobicContact CG1-CG 3.82Å; V382-R398 HydrophobicContact CG2-CB 4.39Å; S384-R398 PolarHBondContact OG-NH2 2.77Å; S390-R398 PolarHBondContact O-NH1 3.22Å; S390-R398 PolarHBondContact O-NH2 3.18Å; S395-R398 PolarHBondContact O-N 3.43Å; W396-R398 VanDerWaalsContact C-N 3.27Å; W396-R398 PolarHBondContact O-N 3.09Å; R398-M400 VanDerWaalsContact C-N 3.3Å; R398-M400 PolarHBondContact O-N 2.95Å; R398-Q401 WeakPolarHBondContact O-CB 3.3Å; R398-Q401 PolarHBondContact O-N 3.08Å; R398-Q401 VanDerWaalsContact O-N 3.15Å; R398-Y402 WeakPolarHBondContact O-CD2 3.24Å; R398-Y402 PolarHBondContact O-N 2.04Å; R398-Y402 VanDerWaalsContact O-N 3.11Å
399	G	94.5	Very high	94.1	Very high	43 Å²	43	59.5 Å²	59.5	44%	0.443	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-37.6	173.1	0	0	0	0	0	112.9	W396 Y402 S403	W396-G399 PolarHBondContact O-N 3.33Å; W396-G399 VanDerWaalsContact O-N 3.09Å; G399-Y402 PolarHBondContact O-N 3.31Å; G399-S403 PolarHBondContact O-N 3.03Å; G399-S403 VanDerWaalsContact O-N 3.12Å; G399-S403 PolarHBondContact O-OG 3.29Å
400	M	95.3	Very high	95	Very high	88 Å²	88	56.9 Å²	56.9	43%	0.433	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-38.4	172.8	-68.1	-167.8	-60.7	0	0	112.1	W396 D397 R398 S403 H404	W396-M400 WeakPolarHBondContact O-CG 3.5Å; W396-M400 PolarHBondContact O-N 2.86Å; D397-M400 HydrophobicContact CB-CE 4.37Å; D397-M400 VanDerWaalsContact OD1-CE 3.24Å; D397-M400 WeakPolarHBondContact OD1-CE 3.49Å; R398-M400 VanDerWaalsContact C-N 3.3Å; R398-M400 PolarHBondContact O-N 2.95Å; M400-S403 PolarHBondContact O-OG 2.94Å; M400-H404 WeakPolarHBondContact O-CB 3.43Å; M400-H404 PolarHBondContact O-N 2.04Å
401	Q	93.1	Very high	95.6	Very high	77 Å²	77	59.4 Å²	59.4	36%	0.36	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-45	175.8	-76.2	169.1	70.8	0	0	112.2	W351 V382 D397 R398 S405	W351-Q401 HydrophobicContact CH2-CB 4Å; W351-Q401 HydrophobicContact CH2-CG 4.46Å; W351-Q401 HydrophobicContact CZ2-CB 4.26Å; V382-Q401 HydrophobicContact CG2-CB 4.1Å; D397-Q401 WeakPolarHBondContact O-CG 3.19Å; D397-Q401 PolarHBondContact O-N 3.11Å; D397-Q401 PolarHBondContact O-NE2 2.72Å; R398-Q401 WeakPolarHBondContact O-CB 3.3Å; R398-Q401 PolarHBondContact O-N 3.08Å; R398-Q401 VanDerWaalsContact O-N 3.15Å; Q401-S405 VanDerWaalsContact O-CB 3.24Å; Q401-S405 WeakPolarHBondContact O-CB 3.28Å; Q401-S405 PolarHBondContact O-N 3.25Å
402	Y	95.5	Very high	95.9	Very high	61 Å²	61	59.1 Å²	59.1	24%	0.239	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-55.4	176	-88.3	-118	0	0	0	111.5	V382 R398 G399 H404 S405 I406 W417 D419	V382-Y402 HydrophobicContact CB-CE2 4.23Å; V382-Y402 HydrophobicContact CG2-CD2 3.76Å; V382-Y402 HydrophobicContact CG2-CE2 3.47Å; V382-Y402 VanDerWaalsContact CG2-CE2 3.47Å; R398-Y402 WeakPolarHBondContact O-CD2 3.24Å; R398-Y402 PolarHBondContact O-N 2.04Å; R398-Y402 VanDerWaalsContact O-N 3.11Å; G399-Y402 PolarHBondContact O-N 3.31Å; Y402-H404 PolarHBondContact O-N 2.82Å; Y402-S405 WeakPolarHBondContact O-CB 3.43Å; Y402-S405 PolarHBondContact O-N 2.9Å; Y402-I406 WeakPolarHBondContact O-CG1 3.02Å; Y402-I406 PolarHBondContact O-N 2.83Å; Y402-W417 AromaticContact CD1-CH2 3.36Å; Y402-W417 HydrophobicContact CD1-CH2 3.36Å; Y402-W417 HydrophobicContact CD1-CZ2 4.21Å; Y402-W417 AromaticContact CD1-CZ3 3.9Å; Y402-W417 HydrophobicContact CD1-CZ3 3.9Å; Y402-W417 AromaticContact CE1-CH2 3.4Å; Y402-W417 HydrophobicContact CE1-CH2 3.4Å; Y402-W417 VanDerWaalsContact CE1-CH2 3.4Å; Y402-W417 HydrophobicContact CE1-CZ2 4.48Å; Y402-W417 AromaticContact CE1-CZ3 3.94Å; Y402-W417 HydrophobicContact CE1-CZ3 3.94Å; Y402-W417 HydrophobicContact CG-CH2 4.19Å; Y402-D419 HydrophobicContact CE1-CB 4.43Å; Y402-D419 WeakPolarHBondContact CE1-OD1 3.29Å; Y402-D419 PolarHBondContact OH-OD1 2.88Å
403	S	96.2	Very high	96.2	Very high	59 Å²	59	57.8 Å²	57.8	41%	0.413	30%	0.3	S	S	.	.	H	α-helix	trans	-64.5	-38.8	-178.1	50.8	0	0	0	0	112.9	G399 M400 I406 I407	G399-S403 PolarHBondContact O-N 3.03Å; G399-S403 VanDerWaalsContact O-N 3.12Å; G399-S403 PolarHBondContact O-OG 3.29Å; M400-S403 PolarHBondContact O-OG 2.94Å; S403-I406 PolarHBondContact O-N 3.39Å; S403-I407 VanDerWaalsContact O-CG1 3.27Å; S403-I407 WeakPolarHBondContact O-CG1 3.34Å; S403-I407 PolarHBondContact O-N 3.22Å
404	H	95.6	Very high	96.4	Very high	129 Å²	129	54.3 Å²	54.3	60%	0.597	28%	0.282	S	S	*	.	H	α-helix	trans	-63.3	-41.9	174.1	-177.2	78.5	0	0	0	112.2	M400 Y402 T408	M400-H404 WeakPolarHBondContact O-CB 3.43Å; M400-H404 PolarHBondContact O-N 2.04Å; Y402-H404 PolarHBondContact O-N 2.82Å; H404-T408 WeakPolarHBondContact O-CB 3.27Å; H404-T408 PolarHBondContact O-N 3.43Å; H404-T408 PolarHBondContact O-OG1 2.85Å
405	S	95.2	Very high	96.5	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-48.6	175.4	-178.9	0	0	0	0	111.3	W351 Q401 Y402 I407 T408 N409	W351-S405 PolarHBondContact NE1-OG 2.86Å; Q401-S405 VanDerWaalsContact O-CB 3.24Å; Q401-S405 WeakPolarHBondContact O-CB 3.28Å; Q401-S405 PolarHBondContact O-N 3.25Å; Y402-S405 WeakPolarHBondContact O-CB 3.43Å; Y402-S405 PolarHBondContact O-N 2.9Å; S405-I407 PolarHBondContact O-N 3.46Å; S405-T408 PolarHBondContact O-N 3.42Å; S405-N409 WeakPolarHBondContact O-CB 3.21Å; S405-N409 PolarHBondContact O-N 3.16Å; S405-N409 PolarHBondContact O-ND2 3.13Å; S405-N409 PolarHBondContact OG-ND2 3.33Å
406	I	97.2	Very high	96.6	Very high	39 Å²	39	53.8 Å²	53.8	20%	0.2	28%	0.276	C	S	.	.	H	α-helix	trans	-58.8	-48.6	178.6	-68	162.4	0	0	0	111	F120 Y402 S403 T408 N409 L410 W417	F120-I406 HydrophobicContact CE1-CG2 3.85Å; F120-I406 HydrophobicContact CZ-CG2 4.47Å; Y402-I406 WeakPolarHBondContact O-CG1 3.02Å; Y402-I406 PolarHBondContact O-N 2.83Å; S403-I406 PolarHBondContact O-N 3.39Å; I406-T408 VanDerWaalsContact C-N 3.32Å; I406-T408 PolarHBondContact O-N 3.07Å; I406-N409 PolarHBondContact O-N 3.42Å; I406-L410 HydrophobicContact CG2-CD1 3.93Å; I406-L410 HydrophobicContact CG2-CG 4.41Å; I406-L410 WeakPolarHBondContact O-CG 3.02Å; I406-L410 PolarHBondContact O-N 3.4Å; I406-W417 HydrophobicContact CD1-CD2 4.2Å; I406-W417 HydrophobicContact CD1-CE3 4.2Å; I406-W417 HydrophobicContact CG1-CB 4.34Å; I406-W417 HydrophobicContact CG1-CD2 3.64Å; I406-W417 HydrophobicContact CG1-CE3 4.16Å; I406-W417 HydrophobicContact CG1-CG 3.72Å; I406-W417 HydrophobicContact CG1-CZ2 4.39Å
407	I	97.9	Very high	96.7	Very high	98 Å²	98	51.3 Å²	51.3	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-59.4	-45.1	177.8	-69	166	0	0	0	110.5	S403 S405 N409 L410 L411	S403-I407 VanDerWaalsContact O-CG1 3.27Å; S403-I407 WeakPolarHBondContact O-CG1 3.34Å; S403-I407 PolarHBondContact O-N 3.22Å; S405-I407 PolarHBondContact O-N 3.46Å; I407-N409 PolarHBondContact O-N 2.91Å; I407-L410 PolarHBondContact O-N 3.05Å; I407-L411 HydrophobicContact CG2-CD1 3.9Å; I407-L411 HydrophobicContact CG2-CG 4.36Å; I407-L411 WeakPolarHBondContact O-CB 3.29Å; I407-L411 VanDerWaalsContact O-CG 3.26Å; I407-L411 WeakPolarHBondContact O-CG 3.49Å; I407-L411 PolarHBondContact O-N 2.89Å
408	T	97.2	Very high	96.9	Very high	30 Å²	30	47.6 Å²	47.6	18%	0.184	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-46.4	178.1	-60	0	0	0	0	111.4	A359 H404 S405 I406 L410 L411 Y412	A359-T408 HydrophobicContact CB-CG2 3.72Å; H404-T408 WeakPolarHBondContact O-CB 3.27Å; H404-T408 PolarHBondContact O-N 3.43Å; H404-T408 PolarHBondContact O-OG1 2.85Å; S405-T408 PolarHBondContact O-N 3.42Å; I406-T408 VanDerWaalsContact C-N 3.32Å; I406-T408 PolarHBondContact O-N 3.07Å; T408-L410 PolarHBondContact O-N 3.18Å; T408-L411 PolarHBondContact O-N 2.88Å; T408-Y412 HydrophobicContact CG2-CD2 3.98Å; T408-Y412 HydrophobicContact CG2-CE2 4.21Å; T408-Y412 VanDerWaalsContact O-CD2 3.27Å; T408-Y412 WeakPolarHBondContact O-CD2 3.12Å; T408-Y412 PolarHBondContact O-N 3.07Å; T408-Y412 VanDerWaalsContact O-N 3.11Å
409	N	97.7	Very high	97	Very high	9 Å²	9	46.4 Å²	46.4	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-47	177.6	-85.2	-91.6	0	0	0	111.2	S405 I406 I407 L411 Y412 H413 V414	S405-N409 WeakPolarHBondContact O-CB 3.21Å; S405-N409 PolarHBondContact O-N 3.16Å; S405-N409 PolarHBondContact O-ND2 3.13Å; S405-N409 PolarHBondContact OG-ND2 3.33Å; I406-N409 PolarHBondContact O-N 3.42Å; I407-N409 PolarHBondContact O-N 2.91Å; N409-L411 VanDerWaalsContact C-N 3.33Å; N409-L411 PolarHBondContact O-N 3.19Å; N409-Y412 CarbonylContact O-C 3.44Å; N409-Y412 VanDerWaalsContact O-C 3.26Å; N409-Y412 PolarHBondContact O-N 2.93Å; N409-H413 PolarHBondContact O-N 3.34Å; N409-V414 HydrophobicContact CB-CB 3.83Å; N409-V414 HydrophobicContact CB-CG1 4.15Å; N409-V414 HydrophobicContact CB-CG2 3.94Å; N409-V414 VanDerWaalsContact O-CB 3.27Å; N409-V414 WeakPolarHBondContact O-CB 3.04Å; N409-V414 WeakPolarHBondContact O-CG2 3.05Å; N409-V414 PolarHBondContact O-N 2.75Å; N409-V414 WeakPolarHBondContact OD1-CG2 3.47Å
410	L	98.4	Very high	96.7	Very high	57 Å²	57	44.5 Å²	44.5	30%	0.298	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-36.6	177.8	-68.7	173	0	0	0	112.7	Q115 V117 I406 I407 T408 Y412	Q115-L410 PolarHBondContact NE2-O 2.66Å; V117-L410 HydrophobicContact CG2-CD2 4.27Å; I406-L410 HydrophobicContact CG2-CD1 3.93Å; I406-L410 HydrophobicContact CG2-CG 4.41Å; I406-L410 WeakPolarHBondContact O-CG 3.02Å; I406-L410 PolarHBondContact O-N 3.4Å; I407-L410 PolarHBondContact O-N 3.05Å; T408-L410 PolarHBondContact O-N 3.18Å; L410-Y412 PolarHBondContact O-N 3.16Å
411	L	98.4	Very high	96.2	Very high	124 Å²	124	41 Å²	41	65%	0.649	21%	0.206	S	C	*	.	H	α-helix	trans	-69	-20.4	174.7	-71	173.8	0	0	0	113.2	I407 T408 N409	I407-L411 HydrophobicContact CG2-CD1 3.9Å; I407-L411 HydrophobicContact CG2-CG 4.36Å; I407-L411 WeakPolarHBondContact O-CB 3.29Å; I407-L411 VanDerWaalsContact O-CG 3.26Å; I407-L411 WeakPolarHBondContact O-CG 3.49Å; I407-L411 PolarHBondContact O-N 2.89Å; T408-L411 PolarHBondContact O-N 2.88Å; N409-L411 VanDerWaalsContact C-N 3.33Å; N409-L411 PolarHBondContact O-N 3.19Å
412	Y	98.3	Very high	94.9	Very high	71 Å²	71	38.4 Å²	38.4	28%	0.278	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	41.8	177.3	-70.1	-74.4	0	0	0	112.5	A359 K360 T408 N409 L410 V414	A359-Y412 HydrophobicContact CB-CD2 3.57Å; A359-Y412 HydrophobicContact CB-CE2 3.8Å; A359-Y412 HydrophobicContact CB-CG 4.18Å; K360-Y412 HydrophobicContact CB-CE1 3.66Å; K360-Y412 HydrophobicContact CG-CE1 3.92Å; T408-Y412 HydrophobicContact CG2-CD2 3.98Å; T408-Y412 HydrophobicContact CG2-CE2 4.21Å; T408-Y412 VanDerWaalsContact O-CD2 3.27Å; T408-Y412 WeakPolarHBondContact O-CD2 3.12Å; T408-Y412 PolarHBondContact O-N 3.07Å; T408-Y412 VanDerWaalsContact O-N 3.11Å; N409-Y412 CarbonylContact O-C 3.44Å; N409-Y412 VanDerWaalsContact O-C 3.26Å; N409-Y412 PolarHBondContact O-N 2.93Å; L410-Y412 PolarHBondContact O-N 3.16Å; Y412-V414 VanDerWaalsContact C-N 3.25Å; Y412-V414 PolarHBondContact O-N 2.93Å
413	H	98.6	Very high	93.8	Very high	42 Å²	42	36.7 Å²	36.7	19%	0.194	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	8.7	164.9	-43	-70.4	0	0	0	116.6	H367 N409	H367-H413 HydrophobicContact CB-CB 4.17Å; H367-H413 AromaticContact CD2-CD2 3.16Å; H367-H413 PolarHBondContact CD2-CD2 3.39Å; H367-H413 AromaticContact CD2-CE1 3.7Å; H367-H413 AromaticContact CD2-CG 3.28Å; H367-H413 AromaticContact CD2-ND1 3.63Å; H367-H413 AromaticContact CD2-NE2 3.44Å; H367-H413 PolarHBondContact CD2-NE2 2.77Å; H367-H413 AromaticContact CG-CD2 3.42Å; H367-H413 VanDerWaalsContact CG-CD2 3.42Å; H367-H413 AromaticContact CG-CG 3.5Å; H367-H413 AromaticContact ND1-CG 3.98Å; H367-H413 AromaticContact NE2-CD2 4Å; H367-H413 AromaticContact NE2-CE1 3.99Å; H367-H413 AromaticContact NE2-CG 3.66Å; H367-H413 AromaticContact NE2-ND1 3.68Å; N409-H413 PolarHBondContact O-N 3.34Å
414	V	98.7	Very high	93.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136	176.5	-179.1	0	0	0	0	109.9	Q115 L363 L375 A377 N409 Y412 G416	Q115-V414 PolarHBondContact NE2-O 2.92Å; L363-V414 HydrophobicContact CD1-CG2 3.88Å; L363-V414 HydrophobicContact CD2-CG2 4.44Å; L375-V414 HydrophobicContact CB-CG2 3.97Å; L375-V414 CarbonylContact O-C 3.55Å; L375-V414 WeakPolarHBondContact O-CA 3.48Å; A377-V414 HydrophobicContact CB-CG1 4.13Å; N409-V414 HydrophobicContact CB-CB 3.83Å; N409-V414 HydrophobicContact CB-CG1 4.15Å; N409-V414 HydrophobicContact CB-CG2 3.94Å; N409-V414 VanDerWaalsContact O-CB 3.27Å; N409-V414 WeakPolarHBondContact O-CB 3.04Å; N409-V414 WeakPolarHBondContact O-CG2 3.05Å; N409-V414 PolarHBondContact O-N 2.75Å; N409-V414 WeakPolarHBondContact OD1-CG2 3.47Å; Y412-V414 VanDerWaalsContact C-N 3.25Å; Y412-V414 PolarHBondContact O-N 2.93Å; V414-G416 WeakPolarHBondContact CG1-O 3.45Å
415	V	98.8	Very high	93	Very high	16 Å²	16	34.7 Å²	34.7	10%	0.097	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-15.6	-172.2	-51.9	0	0	0	0	113.3	Q115 K116 V117 K118 M374 L375 F376	Q115-V415 HydrophobicContact CB-CG1 4.04Å; Q115-V415 HydrophobicContact CG-CG1 4.07Å; K116-V415 WeakPolarHBondContact O-CB 3.23Å; V117-V415 CarbonylContact C-O 3.53Å; V117-V415 VanDerWaalsContact CA-O 3.27Å; V117-V415 WeakPolarHBondContact CA-O 3.48Å; V117-V415 WeakPolarHBondContact CG1-O 3.23Å; K118-V415 HydrophobicContact CB-CB 4.43Å; K118-V415 HydrophobicContact CB-CG2 3.97Å; K118-V415 PolarHBondContact N-O 2.89Å; M374-V415 HydrophobicContact CB-CG1 4.05Å; M374-V415 HydrophobicContact CB-CG2 4.33Å; M374-V415 HydrophobicContact CE-CG2 4.21Å; M374-V415 HydrophobicContact CG-CG2 4.46Å; M374-V415 HydrophobicContact SD-CG2 3.88Å; L375-V415 WeakPolarHBondContact O-CG2 3.36Å; L375-V415 PolarHBondContact O-N 2.99Å; F376-V415 HydrophobicContact CB-CG2 4.37Å; F376-V415 HydrophobicContact CD2-CG2 3.99Å
416	G	98.5	Very high	92.9	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	166.4	178.2	0	0	0	0	0	111.9	G119 A377 V414	G119-G416 WeakPolarHBondContact O-CA 3.22Å; A377-G416 PolarHBondContact N-O 3.12Å; V414-G416 WeakPolarHBondContact CG1-O 3.45Å
417	W	98.6	Very high	92.7	Very high	10 Å²	10	36.2 Å²	36.2	4%	0.038	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	126.5	-173.3	-165.6	101.7	0	0	0	110.6	G119 F120 G121 A377 A380 Y402 I406 D419	G119-W417 PolarHBondContact O-N 3.12Å; G119-W417 VanDerWaalsContact O-N 3.16Å; F120-W417 VanDerWaalsContact CA-O 3.31Å; F120-W417 WeakPolarHBondContact CA-O 3.47Å; F120-W417 HydrophobicContact CD1-CB 3.91Å; F120-W417 HydrophobicContact CE1-CB 3.98Å; G121-W417 PolarHBondContact N-O 3.13Å; A377-W417 HydrophobicContact CB-CB 4.35Å; A377-W417 HydrophobicContact CB-CG 4.08Å; A377-W417 CarbonylContact O-C 3.44Å; A377-W417 WeakPolarHBondContact O-CA 3.48Å; A380-W417 HydrophobicContact CB-CH2 3.51Å; A380-W417 HydrophobicContact CB-CZ2 3.12Å; A380-W417 HydrophobicContact CB-CZ3 4.47Å; Y402-W417 AromaticContact CD1-CH2 3.36Å; Y402-W417 HydrophobicContact CD1-CH2 3.36Å; Y402-W417 HydrophobicContact CD1-CZ2 4.21Å; Y402-W417 AromaticContact CD1-CZ3 3.9Å; Y402-W417 HydrophobicContact CD1-CZ3 3.9Å; Y402-W417 AromaticContact CE1-CH2 3.4Å; Y402-W417 HydrophobicContact CE1-CH2 3.4Å; Y402-W417 VanDerWaalsContact CE1-CH2 3.4Å; Y402-W417 HydrophobicContact CE1-CZ2 4.48Å; Y402-W417 AromaticContact CE1-CZ3 3.94Å; Y402-W417 HydrophobicContact CE1-CZ3 3.94Å; Y402-W417 HydrophobicContact CG-CH2 4.19Å; I406-W417 HydrophobicContact CD1-CD2 4.2Å; I406-W417 HydrophobicContact CD1-CE3 4.2Å; I406-W417 HydrophobicContact CG1-CB 4.34Å; I406-W417 HydrophobicContact CG1-CD2 3.64Å; I406-W417 HydrophobicContact CG1-CE3 4.16Å; I406-W417 HydrophobicContact CG1-CG 3.72Å; I406-W417 HydrophobicContact CG1-CZ2 4.39Å; W417-D419 HydrophobicContact CH2-CB 4.48Å; W417-D419 HydrophobicContact CZ3-CB 3.83Å
418	T	98.3	Very high	92.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.7	-172.8	-41.2	0	0	0	0	109	I157 R159 F376 A377 S378 E379 A380	I157-T418 HydrophobicContact CG2-CG2 4.26Å; R159-T418 HydrophobicContact CB-CG2 4.13Å; F376-T418 WeakPolarHBondContact CE1-OG1 3.3Å; F376-T418 WeakPolarHBondContact CZ-OG1 3.48Å; A377-T418 PolarHBondContact O-N 2.74Å; A377-T418 PolarHBondContact O-OG1 2.93Å; A377-T418 VanDerWaalsContact O-OG1 3.12Å; S378-T418 WeakPolarHBondContact O-CB 3.04Å; E379-T418 CarbonylContact C-O 3.53Å; E379-T418 WeakPolarHBondContact CA-O 3.34Å; A380-T418 PolarHBondContact N-O 2.87Å
419	D	94.8	Very high	92	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.08	17%	0.169	C	C	.	.			trans	-64.2	161.6	169.6	-168.9	19.7	0	0	0	110	G121 G122 A123 A380 Y402 W417	G121-D419 WeakPolarHBondContact O-CB 3.39Å; G121-D419 PolarHBondContact O-N 2.82Å; G122-D419 WeakPolarHBondContact CA-O 3.43Å; A123-D419 PolarHBondContact N-O 3.49Å; A380-D419 VanDerWaalsContact O-OD1 3.08Å; Y402-D419 HydrophobicContact CE1-CB 4.43Å; Y402-D419 WeakPolarHBondContact CE1-OD1 3.29Å; Y402-D419 PolarHBondContact OH-OD1 2.88Å; W417-D419 HydrophobicContact CH2-CB 4.48Å; W417-D419 HydrophobicContact CZ3-CB 3.83Å
420	W	89	Confident	91.7	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.011	18%	0.177	C	C	.	.	S	Bend	trans	-78.1	-109.4	170.8	-164.5	-139.8	0	0	0	110.6	A123 T125 P161 F167 W218 E379 A380 R381 P422	A123-W420 WeakPolarHBondContact CA-O 3.25Å; A123-W420 HydrophobicContact CB-CD2 4.4Å; A123-W420 HydrophobicContact CB-CE3 3.5Å; A123-W420 HydrophobicContact CB-CH2 4.29Å; A123-W420 HydrophobicContact CB-CZ3 3.39Å; A123-W420 VanDerWaalsContact CB-O 3.24Å; A123-W420 WeakPolarHBondContact CB-O 3.18Å; A123-W420 PolarHBondContact N-O 2.89Å; T125-W420 HydrophobicContact CG2-CH2 3.64Å; T125-W420 HydrophobicContact CG2-CZ2 3.89Å; T125-W420 HydrophobicContact CG2-CZ3 4.17Å; P161-W420 HydrophobicContact CG-CH2 4.5Å; F167-W420 AromaticContact CD2-CE2 3.92Å; F167-W420 HydrophobicContact CD2-CZ2 4.07Å; F167-W420 AromaticContact CD2-NE1 3.18Å; F167-W420 AromaticContact CE2-CD1 3.67Å; F167-W420 AromaticContact CE2-NE1 3.07Å; W218-W420 AromaticContact CH2-CH2 3.23Å; W218-W420 HydrophobicContact CH2-CH2 3.23Å; W218-W420 HydrophobicContact CH2-CZ2 4.16Å; W218-W420 AromaticContact CH2-CZ3 3.85Å; W218-W420 HydrophobicContact CH2-CZ3 3.85Å; W218-W420 AromaticContact CZ2-CH2 3.04Å; W218-W420 HydrophobicContact CZ2-CH2 3.04Å; W218-W420 AromaticContact CZ2-CZ2 3.54Å; W218-W420 HydrophobicContact CZ2-CZ2 3.54Å; W218-W420 AromaticContact CZ2-CZ3 3.89Å; W218-W420 HydrophobicContact CZ2-CZ3 3.89Å; W218-W420 HydrophobicContact CZ3-CH2 4.47Å; E379-W420 HydrophobicContact CG-CB 4.05Å; E379-W420 HydrophobicContact CG-CD2 3.72Å; E379-W420 HydrophobicContact CG-CE3 3.52Å; E379-W420 HydrophobicContact CG-CG 3.97Å; E379-W420 HydrophobicContact CG-CZ3 4.44Å; A380-W420 PolarHBondContact O-N 3.21Å; R381-W420 HydrophobicContact CB-CB 3.83Å; R381-W420 HydrophobicContact CB-CG 4.49Å; W420-P422 VanDerWaalsContact O-CD 3.3Å; W420-P422 WeakPolarHBondContact O-CD 3.35Å
421	N	85.1	Confident	91.2	Very high	15 Å²	15	32.6 Å²	32.6	8%	0.08	17%	0.168	C	C	.	.			trans	-85.1	115.4	-178.1	-67.1	-61.7	0	0	0	112.5	T125 F167 S423 L424	T125-N421 WeakPolarHBondContact CB-OD1 3.27Å; T125-N421 WeakPolarHBondContact CG2-OD1 3.34Å; T125-N421 PolarHBondContact OG1-OD1 3.4Å; F167-N421 WeakPolarHBondContact CD1-ND2 3.42Å; F167-N421 VanDerWaalsContact CD2-ND2 3.27Å; F167-N421 WeakPolarHBondContact CD2-ND2 3.41Å; F167-N421 VanDerWaalsContact CE1-ND2 3.29Å; F167-N421 WeakPolarHBondContact CE1-ND2 3.38Å; F167-N421 WeakPolarHBondContact CE2-ND2 3.32Å; F167-N421 WeakPolarHBondContact CG-ND2 3.45Å; F167-N421 WeakPolarHBondContact CZ-ND2 3.48Å; N421-S423 PolarHBondContact O-N 2.85Å; N421-L424 HydrophobicContact CB-CD1 4.33Å; N421-L424 HydrophobicContact CB-CD2 3.41Å; N421-L424 VanDerWaalsContact CB-CD2 3.41Å; N421-L424 HydrophobicContact CB-CG 3.7Å
422	P	65.7	Low	90.6	Very high	23 Å²	23	25.6 Å²	25.6	15%	0.149	13%	0.131	C	C	.	.	S	Bend	trans	-71.6	-14.6	177.5	30.9	-34.8	0	0	0	112.8	A123 A128 Y147 W420	A123-P422 WeakPolarHBondContact O-CD 3.4Å; A128-P422 HydrophobicContact CB-CG 4.46Å; Y147-P422 HydrophobicContact CD2-CB 4.42Å; Y147-P422 HydrophobicContact CE1-CB 4.24Å; Y147-P422 HydrophobicContact CE2-CB 3.79Å; Y147-P422 PolarHBondContact OH-O 2.89Å; W420-P422 VanDerWaalsContact O-CD 3.3Å; W420-P422 WeakPolarHBondContact O-CD 3.35Å
423	S	70.9	Confident	90	Very high	25 Å²	25	21.8 Å²	21.8	18%	0.175	12%	0.119	C	C	.	.			trans	-144.8	137.9	173.7	-173.2	0	0	0	0	109.4	A128 N421	A128-S423 WeakPolarHBondContact CA-O 3.35Å; N421-S423 PolarHBondContact O-N 2.85Å
424	L	83.1	Confident	89.2	Confident	110 Å²	110	20 Å²	20	58%	0.576	11%	0.112	S	C	*	.			trans	-136.9	0	-178.2	-75.1	-179.1	0	0	0	112.5	N131 F167 N421	N131-L424 PolarHBondContact ND2-OXT 3.24Å; F167-L424 HydrophobicContact CD1-CD2 3.61Å; F167-L424 HydrophobicContact CE1-CD1 4.42Å; F167-L424 HydrophobicContact CE1-CD2 3.31Å; F167-L424 HydrophobicContact CZ-CD2 4.34Å; N421-L424 HydrophobicContact CB-CD1 4.33Å; N421-L424 HydrophobicContact CB-CD2 3.41Å; N421-L424 VanDerWaalsContact CB-CD2 3.41Å; N421-L424 HydrophobicContact CB-CG 3.7Å

Retrieved 424 of 424 residues in 755.9 ms (Link to these results)

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