A0A087YP51_POEFO Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A087YP51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 341 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	35.6	Very low	35.6	Very low	240 Å²	240	161.7 Å²	161.7	100%	1.182	84%	0.842	S	S	*	*				0	115.7	0	-93.8	159.4	54.1	0	0	109.2
2	K	33.5	Very low	35.3	Very low	183 Å²	183	153.8 Å²	153.8	80%	0.796	83%	0.829	S	S	*	*			trans	34	123.4	150.8	-68.3	179.1	178.4	175.8	0	122
3	R	34.6	Very low	35.3	Very low	234 Å²	234	154.7 Å²	154.7	88%	0.883	83%	0.832	S	S	*	*			trans	71	122.4	134.5	-64.1	176.6	172	-174.8	-4.9	116.5
4	G	32.5	Very low	35.3	Very low	71 Å²	71	153.7 Å²	153.7	73%	0.732	83%	0.825	S	S	*	*			cis	111.7	140.6	47.2	0	0	0	0	0	106.6
5	L	35.7	Very low	35.6	Very low	156 Å²	156	153 Å²	153	82%	0.817	82%	0.82	S	S	*	*			cis	-163.1	145.6	13.8	-153	83.2	0	0	0	107.5	F7	L5-F7 HydrophobicContact CD2-CE2 4.48Å
6	L	39.2	Very low	35.5	Very low	151 Å²	151	152 Å²	152	79%	0.791	83%	0.827	S	S	*	*			trans	-58.2	153.7	163.3	-82.6	81.6	0	0	0	111.3
7	F	34.4	Very low	35.7	Very low	201 Å²	201	152.2 Å²	152.2	88%	0.882	83%	0.826	S	S	*	*			trans	-125.5	130.7	153.8	-107.6	-85.7	0	0	0	111.9	L5	L5-F7 HydrophobicContact CD2-CE2 4.48Å
8	C	34.3	Very low	36	Very low	109 Å²	109	153.3 Å²	153.3	74%	0.736	82%	0.824	S	S	*	*			trans	-77.8	155.4	-169.1	-62.6	0	0	0	0	113.9
9	I	40.6	Very low	35.8	Very low	165 Å²	165	152.6 Å²	152.6	85%	0.846	82%	0.82	S	S	*	*			trans	-69.6	134.7	158.3	-61	167.8	0	0	0	108.5
10	L	36.4	Very low	35.5	Very low	163 Å²	163	149.2 Å²	149.2	85%	0.853	82%	0.823	S	S	*	*			trans	-153.8	136.5	149.2	-108	160	0	0	0	111.2
11	S	35.3	Very low	35.4	Very low	106 Å²	106	150.8 Å²	150.8	74%	0.741	82%	0.817	S	S	*	*			trans	-66	159.9	-176.1	49.5	0	0	0	0	116.4
12	G	31.8	Very low	35.2	Very low	67 Å²	67	151 Å²	151	69%	0.691	80%	0.804	S	S	*	*			trans	131.9	102.3	133.9	0	0	0	0	0	118.5
13	L	35.3	Very low	35.2	Very low	165 Å²	165	149.2 Å²	149.2	86%	0.864	80%	0.799	S	S	*	*			trans	69.7	137.1	132.9	-80.5	153.2	0	0	0	123.2
14	L	34.4	Very low	35.1	Very low	141 Å²	141	142.1 Å²	142.1	74%	0.738	79%	0.79	S	S	*	*			trans	94.3	96.5	143.5	-76.5	152	0	0	0	120.2
15	L	39.8	Very low	35	Very low	143 Å²	143	145.3 Å²	145.3	75%	0.749	79%	0.79	S	S	*	*				19.4	114.8	121.8	-77.6	150.8	0	0	0	117.2
16	C	34.2	Very low	34.8	Very low	137 Å²	137	143.6 Å²	143.6	93%	0.926	79%	0.786	S	S	*	*			trans	-149	99.1	137.6	-101.1	0	0	0	0	109.7	H18	C16-H18 PolarHBondContact O-N 2.72Å
17	L	40	Very low	34.7	Very low	155 Å²	155	144.1 Å²	144.1	81%	0.812	78%	0.779	S	S	*	*			trans	-67.2	107.6	155.1	-78.2	161.9	0	0	0	108.1
18	H	39.7	Very low	34.7	Very low	173 Å²	173	141.4 Å²	141.4	80%	0.801	77%	0.773	S	S	*	*			trans	174.5	116.4	146.4	-107	50.6	0	0	0	107.8	C16	C16-H18 PolarHBondContact O-N 2.72Å
19	N	33.7	Very low	35.2	Very low	139 Å²	139	142.3 Å²	142.3	74%	0.743	76%	0.763	S	S	*	*			trans	-177.2	67.9	144.4	-88.8	-24.2	0	0	0	109.3
20	G	29.7	Very low	35.5	Very low	85 Å²	85	145.3 Å²	145.3	88%	0.876	76%	0.763	S	S	*	*			trans	-92.6	77.8	154.9	0	0	0	0	0	107.8	R22	G20-R22 PolarHBondContact O-N 2.83Å
21	W	32.2	Very low	36.1	Very low	182 Å²	182	146.7 Å²	146.7	69%	0.689	76%	0.762	S	S	*	*			trans	-53.8	122.7	173.6	-80	15.4	0	0	0	111
22	R	32.8	Very low	36.8	Very low	246 Å²	246	142.2 Å²	142.2	93%	0.928	73%	0.731	S	S	*	*			trans	-130.7	92.7	139.5	-80.2	-169	179.1	-171.2	0.9	105.7	G20 A24	G20-R22 PolarHBondContact O-N 2.83Å; R22-A24 PolarHBondContact O-N 3.39Å
23	E	32.3	Very low	38	Very low	145 Å²	145	145.8 Å²	145.8	68%	0.678	74%	0.74	S	S	*	*			trans	-49	133.5	164.8	-70.3	176.8	145.1	0	0	108.2	N25	E23-N25 PolarHBondContact O-N 3.23Å
24	A	32.1	Very low	39.8	Very low	84 Å²	84	140.2 Å²	140.2	69%	0.694	72%	0.717	S	S	*	*			trans	-52.9	129	169	0	0	0	0	0	108	R22 T26	R22-A24 PolarHBondContact O-N 3.39Å; A24-T26 PolarHBondContact O-N 3.19Å
25	N	30.8	Very low	42.4	Very low	139 Å²	139	137.4 Å²	137.4	74%	0.743	70%	0.703	S	S	*	*			trans	-58.5	88.1	171.7	-84.3	-29.6	0	0	0	109.2	E23 Y27	E23-N25 PolarHBondContact O-N 3.23Å; N25-Y27 HydrophobicContact CB-CD2 4.41Å; N25-Y27 HydrophobicContact CB-CE2 4.2Å; N25-Y27 PolarHBondContact O-N 3.27Å
26	T	31.9	Very low	45.1	Very low	119 Å²	119	130.6 Å²	130.6	73%	0.73	67%	0.667	S	S	*	*			trans	-70.8	91.1	159.1	41.9	0	0	0	0	105.6	A24 N28	A24-T26 PolarHBondContact O-N 3.19Å; T26-N28 PolarHBondContact O-N 2.9Å
27	Y	37.4	Very low	48.1	Very low	163 Å²	163	125.3 Å²	125.3	64%	0.639	63%	0.631	S	S	*	*			trans	-53.6	106.6	166.7	-74.9	-87	0	0	0	107.2	N25 Y29	N25-Y27 HydrophobicContact CB-CD2 4.41Å; N25-Y27 HydrophobicContact CB-CE2 4.2Å; N25-Y27 PolarHBondContact O-N 3.27Å; Y27-Y29 HydrophobicContact CG-CE2 4.48Å; Y27-Y29 VanDerWaalsContact O-CD2 3.22Å; Y27-Y29 WeakPolarHBondContact O-CD2 3.45Å; Y27-Y29 PolarHBondContact O-N 3.19Å
28	N	34.7	Very low	50.8	Low	143 Å²	143	117.9 Å²	117.9	77%	0.765	59%	0.592	S	S	*	*			trans	-66.9	80.3	169.9	-87.4	-33	0	0	0	107.6	T26 W30	T26-N28 PolarHBondContact O-N 2.9Å; N28-W30 PolarHBondContact O-N 3.36Å
29	Y	45.1	Very low	53.6	Low	129 Å²	129	109.7 Å²	109.7	51%	0.506	55%	0.554	S	S	.	*			trans	-63.5	105.7	169.5	-70.2	-72.6	0	0	0	107.2	Y27 K31 L320	Y27-Y29 HydrophobicContact CG-CE2 4.48Å; Y27-Y29 VanDerWaalsContact O-CD2 3.22Å; Y27-Y29 WeakPolarHBondContact O-CD2 3.45Å; Y27-Y29 PolarHBondContact O-N 3.19Å; Y29-K31 PolarHBondContact O-N 3.1Å; Y29-L320 HydrophobicContact CD1-CB 3.69Å; Y29-L320 HydrophobicContact CD1-CD1 4.14Å; Y29-L320 HydrophobicContact CD1-CD2 3.99Å; Y29-L320 HydrophobicContact CD1-CG 4.15Å; Y29-L320 HydrophobicContact CE1-CB 3.7Å; Y29-L320 HydrophobicContact CE1-CD1 3.6Å; Y29-L320 HydrophobicContact CE1-CD2 4.32Å; Y29-L320 HydrophobicContact CE1-CG 4.07Å; Y29-L320 HydrophobicContact CG-CD2 4.41Å
30	W	46.7	Very low	56.7	Low	228 Å²	228	103.1 Å²	103.1	86%	0.864	52%	0.519	S	S	*	.			trans	-58	106.5	168	-74.7	67.8	0	0	0	107.1	N28 S32	N28-W30 PolarHBondContact O-N 3.36Å; W30-S32 PolarHBondContact O-N 3.15Å
31	K	47.9	Very low	59.9	Low	192 Å²	192	100 Å²	100	84%	0.835	48%	0.481	S	S	*	.			trans	-55.8	112.3	178.1	-80.2	-179.7	177.6	176.4	0	108.1	Y29 T33	Y29-K31 PolarHBondContact O-N 3.1Å; K31-T33 PolarHBondContact O-N 2.89Å
32	S	50.3	Low	63	Low	12 Å²	12	94.4 Å²	94.4	8%	0.084	46%	0.461	C	S	.	.			trans	-58.8	125.1	170.6	-174.9	0	0	0	0	109.2	W30 A34 N64 N323	W30-S32 PolarHBondContact O-N 3.15Å; S32-A34 PolarHBondContact OG-N 2.95Å; S32-A34 PolarHBondContact OG-O 3.02Å; S32-N64 PolarHBondContact O-ND2 3.13Å; S32-N323 WeakPolarHBondContact CA-ND2 3.41Å; S32-N323 WeakPolarHBondContact CB-ND2 3.03Å; S32-N323 PolarHBondContact OG-ND2 3.21Å
33	T	57.8	Low	66	Low	142 Å²	142	83.5 Å²	83.5	87%	0.871	42%	0.42	S	S	*	.	S	Bend	trans	-81.1	-20	173	50.4	0	0	0	0	111.9	K31	K31-T33 PolarHBondContact O-N 2.89Å
34	A	72.2	Confident	68.9	Low	47 Å²	47	76.6 Å²	76.6	39%	0.388	39%	0.388	S	S	.	.	S	Bend	trans	-96	138.5	176	0	0	0	0	0	111.5	S32 V36	S32-A34 PolarHBondContact OG-N 2.95Å; S32-A34 PolarHBondContact OG-O 3.02Å; A34-V36 PolarHBondContact O-N 3.4Å
35	N	90.1	Very high	71.8	Confident	82 Å²	82	77.6 Å²	77.6	44%	0.439	38%	0.377	S	S	.	.			trans	-75	112	172.2	-172.9	3.4	0	0	0	109.5	N64 C65 T66 H78	N35-N64 WeakPolarHBondContact CA-O 3.1Å; N35-N64 VanDerWaalsContact OD1-C 3.25Å; N35-N64 PolarHBondContact OD1-O 3.01Å; N35-C65 PolarHBondContact OD1-N 3.11Å; N35-T66 PolarHBondContact ND2-OG1 3.21Å; N35-T66 PolarHBondContact OD1-OG1 2.97Å; N35-H78 PolarHBondContact O-CE1 3.32Å
36	V	95.2	Very high	74.6	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.8	-175.3	177.5	0	0	0	0	109.9	A34 I38 N64 T66 H78 Y322	A34-V36 PolarHBondContact O-N 3.4Å; V36-I38 HydrophobicContact CG1-CG1 4.32Å; V36-N64 PolarHBondContact N-O 3.14Å; V36-T66 PolarHBondContact O-N 3.37Å; V36-H78 HydrophobicContact CG1-CB 4.07Å; V36-Y322 HydrophobicContact CG1-CD1 4.38Å; V36-Y322 HydrophobicContact CG1-CD2 4Å; V36-Y322 HydrophobicContact CG1-CE2 4.35Å; V36-Y322 HydrophobicContact CG1-CG 4.02Å; V36-Y322 HydrophobicContact CG2-CD1 3.51Å; V36-Y322 HydrophobicContact CG2-CE1 4Å; V36-Y322 HydrophobicContact CG2-CG 3.83Å
37	T	97.3	Very high	77.4	Confident	26 Å²	26	76.5 Å²	76.5	16%	0.16	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.5	174.7	-51.2	0	0	0	0	110.8	T66 V68 H78 V79	T37-T66 CarbonylContact C-O 3.38Å; T37-T66 WeakPolarHBondContact CA-O 3.27Å; T37-V68 HydrophobicContact CG2-CG2 3.91Å; T37-H78 PolarHBondContact N-ND1 2.82Å; T37-H78 VanDerWaalsContact N-ND1 3.12Å; T37-H78 WeakPolarHBondContact O-CB 3.38Å; T37-H78 PolarHBondContact O-N 3.04Å; T37-V79 PolarHBondContact O-N 3.45Å; T37-V79 VanDerWaalsContact O-N 3.12Å
38	I	97.9	Very high	80	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.9	177.5	-58.4	159.7	0	0	0	108.6	V36 T66 L67 V68 V79 V81 L315 I318 C319	V36-I38 HydrophobicContact CG1-CG1 4.32Å; I38-T66 PolarHBondContact N-O 3.1Å; I38-L67 HydrophobicContact CB-CD1 3.91Å; I38-L67 HydrophobicContact CG2-CD1 3.77Å; I38-V68 WeakPolarHBondContact O-CG2 3.48Å; I38-V68 PolarHBondContact O-N 3.16Å; I38-V79 CarbonylContact C-O 3.54Å; I38-V79 WeakPolarHBondContact CA-O 3.46Å; I38-V79 HydrophobicContact CG1-CB 4.43Å; I38-V81 HydrophobicContact CG2-CG2 3.74Å; I38-L315 VanDerWaalsContact CD1-O 3.3Å; I38-L315 WeakPolarHBondContact CD1-O 3.34Å; I38-I318 HydrophobicContact CD1-CB 3.78Å; I38-I318 HydrophobicContact CD1-CD1 4.19Å; I38-I318 HydrophobicContact CD1-CG2 4.21Å; I38-I318 HydrophobicContact CG1-CB 4.44Å; I38-I318 HydrophobicContact CG1-CG2 4.37Å; I38-I318 HydrophobicContact CG2-CD1 3.94Å; I38-C319 WeakPolarHBondContact CD1-SG 3.42Å
39	L	98.2	Very high	82.8	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.5	173.6	174.7	61.4	0	0	0	110.6	W41 V68 Q70 F74 A77 V79 V80 V81	L39-W41 HydrophobicContact CD2-CE3 3.99Å; L39-W41 HydrophobicContact CD2-CZ3 4.25Å; L39-W41 PolarHBondContact O-N 2.93Å; L39-V68 CarbonylContact C-O 3.55Å; L39-V68 WeakPolarHBondContact CA-O 3.45Å; L39-V68 HydrophobicContact CB-CG2 4.15Å; L39-V68 HydrophobicContact CD1-CG2 3.98Å; L39-Q70 WeakPolarHBondContact CD1-O 3.44Å; L39-F74 HydrophobicContact CD2-CB 3.94Å; L39-F74 HydrophobicContact CD2-CD2 4.32Å; L39-A77 HydrophobicContact CB-CB 3.68Å; L39-A77 HydrophobicContact CD2-CB 4.39Å; L39-V79 PolarHBondContact N-O 3.06Å; L39-V80 HydrophobicContact CB-CG1 4.45Å; L39-V80 HydrophobicContact CB-CG2 4.36Å; L39-V80 HydrophobicContact CD2-CG1 4.19Å; L39-V80 HydrophobicContact CD2-CG2 4.32Å; L39-V80 HydrophobicContact CG-CG1 4.3Å; L39-V80 CarbonylContact O-C 3.38Å; L39-V80 WeakPolarHBondContact O-CA 3.33Å; L39-V81 PolarHBondContact O-N 2.74Å
40	V	97.9	Very high	85.1	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.012	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	106.8	167.2	-172.1	0	0	0	0	108.1	K42 W43 L67 V68 D69 L315	V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 WeakPolarHBondContact CG1-O 3.49Å; V40-K42 PolarHBondContact O-N 3.43Å; V40-W43 HydrophobicContact CB-CZ2 4.46Å; V40-W43 HydrophobicContact CG1-CD2 3.87Å; V40-W43 HydrophobicContact CG1-CE3 3.99Å; V40-W43 HydrophobicContact CG1-CG 4.25Å; V40-W43 HydrophobicContact CG1-CZ3 4.38Å; V40-W43 HydrophobicContact CG2-CH2 4.02Å; V40-W43 HydrophobicContact CG2-CZ2 4.16Å; V40-W43 HydrophobicContact CG2-CZ3 4.3Å; V40-L67 HydrophobicContact CG2-CD1 3.69Å; V40-L67 HydrophobicContact CG2-CG 4.41Å; V40-V68 PolarHBondContact N-O 2.9Å; V40-D69 HydrophobicContact CB-CB 4.31Å; V40-L315 HydrophobicContact CG2-CD1 3.59Å
41	W	97.4	Very high	87.4	Confident	19 Å²	19	57.5 Å²	57.5	7%	0.072	31%	0.314	C	S	.	.	S	Bend	trans	-68.4	-33.3	-175.6	-171.9	-90.8	0	0	0	113	L39 R71 F74 V80 V81 F82 Q93 P95 L98	L39-W41 HydrophobicContact CD2-CE3 3.99Å; L39-W41 HydrophobicContact CD2-CZ3 4.25Å; L39-W41 PolarHBondContact O-N 2.93Å; W41-R71 HydrophobicContact CE3-CG 4.22Å; W41-R71 HydrophobicContact CH2-CB 4.31Å; W41-R71 HydrophobicContact CH2-CG 4.12Å; W41-R71 HydrophobicContact CZ2-CG 4.43Å; W41-R71 HydrophobicContact CZ3-CB 4.2Å; W41-R71 HydrophobicContact CZ3-CG 4.01Å; W41-F74 HydrophobicContact CE3-CD2 4.25Å; W41-F74 HydrophobicContact CZ3-CB 4.12Å; W41-F74 AromaticContact CZ3-CD2 3.71Å; W41-F74 HydrophobicContact CZ3-CD2 3.71Å; W41-F74 HydrophobicContact CZ3-CG 4.17Å; W41-V80 HydrophobicContact CB-CG1 4.09Å; W41-V80 HydrophobicContact CE3-CG1 4.05Å; W41-V81 WeakPolarHBondContact CB-O 3.36Å; W41-V81 PolarHBondContact N-O 3.33Å; W41-V81 VanDerWaalsContact N-O 3.1Å; W41-F82 HydrophobicContact CB-CD1 4.1Å; W41-F82 HydrophobicContact CB-CE1 3.94Å; W41-F82 HydrophobicContact CB-CZ 4.45Å; W41-F82 AromaticContact CD1-CE1 3.96Å; W41-F82 HydrophobicContact CD2-CE1 4.1Å; W41-F82 HydrophobicContact CG-CD1 4.12Å; W41-F82 AromaticContact CG-CE1 3.66Å; W41-F82 HydrophobicContact CG-CE1 3.66Å; W41-F82 HydrophobicContact CG-CZ 4.37Å; W41-Q93 PolarHBondContact NE1-O 3.03Å; W41-P95 HydrophobicContact CD2-CG 4.34Å; W41-P95 HydrophobicContact CE3-CG 4.25Å; W41-P95 HydrophobicContact CH2-CB 3.49Å; W41-P95 VanDerWaalsContact CH2-CB 3.49Å; W41-P95 HydrophobicContact CH2-CG 3.62Å; W41-P95 HydrophobicContact CZ2-CB 3.53Å; W41-P95 HydrophobicContact CZ2-CG 3.69Å; W41-P95 HydrophobicContact CZ3-CB 4.26Å; W41-P95 HydrophobicContact CZ3-CG 3.91Å; W41-L98 HydrophobicContact CH2-CD1 4.24Å
42	K	96.1	Very high	89.5	Confident	65 Å²	65	57.5 Å²	57.5	28%	0.283	31%	0.313	S	S	.	.	S	Bend	trans	-156.5	140	168.3	-167.9	169.3	176.9	166.7	0	109.4	V40 E86 S91 Q92	V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 WeakPolarHBondContact CG1-O 3.49Å; V40-K42 PolarHBondContact O-N 3.43Å; K42-E86 HydrophobicContact CD-CB 4.18Å; K42-E86 HydrophobicContact CD-CG 3.92Å; K42-E86 HydrophobicContact CG-CG 4.43Å; K42-S91 PolarHBondContact NZ-O 3.29Å; K42-S91 PolarHBondContact NZ-OG 3.44Å; K42-Q92 HydrophobicContact CB-CG 4.32Å; K42-Q92 HydrophobicContact CD-CB 3.97Å
43	W	96	Very high	91.5	Very high	17 Å²	17	59.8 Å²	59.8	6%	0.064	34%	0.339	C	S	.	.			trans	-72.5	142.4	178.7	-74	105.7	0	0	0	112.9	V40 F45 G46 R47 Y49 L51 L67 D69 W311 R312 L315	V40-W43 HydrophobicContact CB-CZ2 4.46Å; V40-W43 HydrophobicContact CG1-CD2 3.87Å; V40-W43 HydrophobicContact CG1-CE3 3.99Å; V40-W43 HydrophobicContact CG1-CG 4.25Å; V40-W43 HydrophobicContact CG1-CZ3 4.38Å; V40-W43 HydrophobicContact CG2-CH2 4.02Å; V40-W43 HydrophobicContact CG2-CZ2 4.16Å; V40-W43 HydrophobicContact CG2-CZ3 4.3Å; W43-F45 PolarHBondContact O-N 3.08Å; W43-G46 PolarHBondContact O-N 3.13Å; W43-R47 WeakPolarHBondContact CB-O 3.43Å; W43-Y49 AromaticContact CD2-CD2 3.92Å; W43-Y49 HydrophobicContact CD2-CD2 3.92Å; W43-Y49 AromaticContact CE3-CD2 3.59Å; W43-Y49 HydrophobicContact CE3-CD2 3.59Å; W43-Y49 HydrophobicContact CE3-CE2 4.04Å; W43-Y49 HydrophobicContact CH2-CD2 4.15Å; W43-Y49 HydrophobicContact CZ2-CD2 4.41Å; W43-Y49 AromaticContact CZ3-CD2 3.73Å; W43-Y49 HydrophobicContact CZ3-CD2 3.73Å; W43-Y49 HydrophobicContact CZ3-CE2 4.31Å; W43-Y49 HydrophobicContact CZ3-CG 4.46Å; W43-L51 HydrophobicContact CH2-CD2 4.19Å; W43-L51 HydrophobicContact CZ2-CD1 3.97Å; W43-L51 HydrophobicContact CZ2-CD2 3.91Å; W43-L51 HydrophobicContact CZ2-CG 4.11Å; W43-L67 HydrophobicContact CH2-CD2 4.16Å; W43-D69 HydrophobicContact CZ2-CB 4.49Å; W43-D69 PolarHBondContact NE1-OD2 3.4Å; W43-W311 HydrophobicContact CE3-CB 4.3Å; W43-W311 HydrophobicContact CZ3-CB 3.86Å; W43-R312 HydrophobicContact CH2-CG 3.9Å; W43-R312 HydrophobicContact CZ3-CG 4.46Å; W43-L315 HydrophobicContact CH2-CD1 4.09Å; W43-L315 HydrophobicContact CZ3-CD1 3.66Å
44	P	94.9	Very high	93.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-55.1	134.1	176	-28.6	38.2	0	0	0	113	G46 R47 H83 M109 W311	P44-G46 PolarHBondContact O-N 3.15Å; P44-G46 VanDerWaalsContact O-N 3.09Å; P44-R47 PolarHBondContact O-N 2.84Å; P44-R47 VanDerWaalsContact O-N 3.16Å; P44-H83 HydrophobicContact CG-CB 4.13Å; P44-M109 HydrophobicContact CG-CE 3.56Å; P44-W311 HydrophobicContact CB-CD2 4.29Å; P44-W311 HydrophobicContact CB-CZ2 3.98Å; P44-W311 HydrophobicContact CG-CD2 3.81Å; P44-W311 HydrophobicContact CG-CE3 4.26Å; P44-W311 HydrophobicContact CG-CG 4.07Å; P44-W311 HydrophobicContact CG-CZ2 4.2Å
45	F	93.2	Very high	94.3	Very high	105 Å²	105	53.5 Å²	53.5	46%	0.461	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	57.7	24.3	174.3	-47.7	-72.3	0	0	0	114.3	W43 R47 H83 R85 E86 W311	W43-F45 PolarHBondContact O-N 3.08Å; F45-R47 PolarHBondContact O-N 3.46Å; F45-H83 AromaticContact CE2-CE1 3.91Å; F45-H83 AromaticContact CZ-CE1 3.8Å; F45-R85 HydrophobicContact CD1-CG 4.29Å; F45-R85 HydrophobicContact CE1-CB 4.38Å; F45-R85 HydrophobicContact CE1-CG 3.98Å; F45-E86 WeakPolarHBondContact CA-OE1 3.47Å; F45-E86 PolarHBondContact N-OE1 2.88Å; F45-W311 HydrophobicContact CE2-CZ2 4.07Å
46	G	88.8	Confident	94.6	Very high	61 Å²	61	49.6 Å²	49.6	63%	0.629	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	69.4	12.2	-179.7	0	0	0	0	0	114.8	W43 P44	W43-G46 PolarHBondContact O-N 3.13Å; P44-G46 PolarHBondContact O-N 3.15Å; P44-G46 VanDerWaalsContact O-N 3.09Å
47	R	91	Very high	94.7	Very high	174 Å²	174	53.1 Å²	53.1	66%	0.657	29%	0.291	S	S	*	.			trans	-91.9	102.9	179.2	-66.6	-171.9	179.5	-158.9	-0.6	110.8	W43 P44 F45 Y49	W43-R47 WeakPolarHBondContact CB-O 3.43Å; P44-R47 PolarHBondContact O-N 2.84Å; P44-R47 VanDerWaalsContact O-N 3.16Å; F45-R47 PolarHBondContact O-N 3.46Å; R47-Y49 HydrophobicContact CB-CE2 4.33Å; R47-Y49 WeakPolarHBondContact O-CD2 3.37Å; R47-Y49 VanDerWaalsContact O-CE2 3.23Å; R47-Y49 WeakPolarHBondContact O-CE2 3.42Å
48	S	90.9	Very high	94.6	Very high	97 Å²	97	55.9 Å²	55.9	68%	0.678	31%	0.305	S	S	*	.			trans	-77	151.9	173.3	56.4	0	0	0	0	112.1
49	Y	93.5	Very high	94.4	Very high	52 Å²	52	60.5 Å²	60.5	20%	0.204	33%	0.33	C	S	.	.			trans	-122.2	148.2	175.9	-64.8	-99.9	0	0	0	110	W43 R47 L51 W311 R312	W43-Y49 AromaticContact CD2-CD2 3.92Å; W43-Y49 HydrophobicContact CD2-CD2 3.92Å; W43-Y49 AromaticContact CE3-CD2 3.59Å; W43-Y49 HydrophobicContact CE3-CD2 3.59Å; W43-Y49 HydrophobicContact CE3-CE2 4.04Å; W43-Y49 HydrophobicContact CH2-CD2 4.15Å; W43-Y49 HydrophobicContact CZ2-CD2 4.41Å; W43-Y49 AromaticContact CZ3-CD2 3.73Å; W43-Y49 HydrophobicContact CZ3-CD2 3.73Å; W43-Y49 HydrophobicContact CZ3-CE2 4.31Å; W43-Y49 HydrophobicContact CZ3-CG 4.46Å; R47-Y49 HydrophobicContact CB-CE2 4.33Å; R47-Y49 WeakPolarHBondContact O-CD2 3.37Å; R47-Y49 VanDerWaalsContact O-CE2 3.23Å; R47-Y49 WeakPolarHBondContact O-CE2 3.42Å; Y49-L51 PolarHBondContact O-N 3.28Å; Y49-W311 HydrophobicContact CE2-CB 4.26Å; Y49-W311 AromaticContact CE2-CD1 3.76Å; Y49-W311 HydrophobicContact CE2-CG 4.42Å; Y49-W311 AromaticContact CZ-CD1 3.85Å; Y49-R312 HydrophobicContact CD1-CG 4.42Å; Y49-R312 HydrophobicContact CG-CG 4.19Å
50	S	93.4	Very high	94.2	Very high	84 Å²	84	62.8 Å²	62.8	59%	0.587	34%	0.338	S	S	*	.			trans	-68	126.7	170.4	-179.4	0	0	0	0	110	K52 R312	S50-K52 PolarHBondContact OG-N 2.9Å; S50-R312 PolarHBondContact O-NH1 3.4Å
51	L	95.3	Very high	94.1	Very high	31 Å²	31	70 Å²	70	16%	0.162	37%	0.37	C	S	.	.			trans	-109.7	26.6	174.1	-58.7	-175.4	0	0	0	111.9	W43 Y49 G53 V55 L67 D69 R312	W43-L51 HydrophobicContact CH2-CD2 4.19Å; W43-L51 HydrophobicContact CZ2-CD1 3.97Å; W43-L51 HydrophobicContact CZ2-CD2 3.91Å; W43-L51 HydrophobicContact CZ2-CG 4.11Å; Y49-L51 PolarHBondContact O-N 3.28Å; L51-G53 PolarHBondContact O-N 2.96Å; L51-V55 HydrophobicContact CD2-CG1 4.48Å; L51-V55 HydrophobicContact CD2-CG2 3.96Å; L51-L67 HydrophobicContact CD1-CG 4.37Å; L51-L67 HydrophobicContact CD2-CD2 3.83Å; L51-L67 HydrophobicContact CD2-CG 4.1Å; L51-D69 HydrophobicContact CD1-CB 3.97Å; L51-R312 HydrophobicContact CD2-CG 4.15Å
52	K	91.8	Very high	94	Very high	191 Å²	191	69.7 Å²	69.7	83%	0.83	37%	0.369	S	S	*	.			trans	-67.3	128.7	176.5	-173.3	179.5	179.8	-178.9	0	110.1	S50	S50-K52 PolarHBondContact OG-N 2.9Å
53	G	91.6	Very high	93.8	Very high	61 Å²	61	69.8 Å²	69.8	63%	0.629	38%	0.377	S	S	*	.	S	Bend	trans	80.7	-163	-177.2	0	0	0	0	0	112.5	L51 V55	L51-G53 PolarHBondContact O-N 2.96Å; G53-V55 PolarHBondContact O-N 3.15Å
54	N	93.6	Very high	93.7	Very high	48 Å²	48	72.3 Å²	72.3	26%	0.257	39%	0.392	S	S	.	.			trans	-97.4	80	176	-173.1	-24.9	0	0	0	109.1	C56 L57 D58 C65	N54-C56 PolarHBondContact O-N 3.49Å; N54-C56 PolarHBondContact OD1-N 3.36Å; N54-L57 HydrophobicContact CB-CB 4.13Å; N54-L57 PolarHBondContact O-N 3.42Å; N54-L57 VanDerWaalsContact O-N 3.07Å; N54-L57 PolarHBondContact OD1-N 3.15Å; N54-D58 PolarHBondContact N-OD2 2.95Å; N54-D58 VanDerWaalsContact O-CB 3.27Å; N54-D58 WeakPolarHBondContact O-CB 3.5Å; N54-D58 PolarHBondContact O-N 3.28Å; N54-D58 VanDerWaalsContact O-OD2 3.13Å; N54-C65 PolarHBondContact ND2-O 3.41Å; N54-C65 PolarHBondContact OD1-O 2.94Å; N54-C65 VanDerWaalsContact OD1-O 3.1Å
55	V	96.3	Very high	93.8	Very high	8 Å²	8	72.3 Å²	72.3	5%	0.048	39%	0.392	C	S	.	.	H	α-helix	trans	-54.6	-32.8	-176.1	-62.6	0	0	0	0	113.6	L51 G53 L59 Y60 L67	L51-V55 HydrophobicContact CD2-CG1 4.48Å; L51-V55 HydrophobicContact CD2-CG2 3.96Å; G53-V55 PolarHBondContact O-N 3.15Å; V55-L59 HydrophobicContact CB-CD1 4.37Å; V55-L59 WeakPolarHBondContact O-CB 3.45Å; V55-L59 PolarHBondContact O-N 3.25Å; V55-L59 VanDerWaalsContact O-N 3.11Å; V55-Y60 WeakPolarHBondContact O-CD2 3.44Å; V55-L67 HydrophobicContact CG2-CB 4.07Å; V55-L67 HydrophobicContact CG2-CD2 4.15Å
56	C	96.8	Very high	93.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-67.2	-46.7	178.8	-64.3	0	0	0	0	111.8	N54 Y60 K61 I62 C65 C316	N54-C56 PolarHBondContact O-N 3.49Å; N54-C56 PolarHBondContact OD1-N 3.36Å; C56-Y60 CarbonylContact O-C 3.57Å; C56-Y60 PolarHBondContact O-N 3.44Å; C56-K61 PolarHBondContact O-N 3.22Å; C56-K61 VanDerWaalsContact O-N 3.09Å; C56-I62 CarbonylContact C-O 3.5Å; C56-I62 HydrophobicContact CB-CB 4.35Å; C56-I62 PolarHBondContact O-N 3.28Å; C56-C65 HydrophobicContact CB-CB 3.75Å; C56-C65 PolarHBondContact SG-SG 3.1Å; C56-C316 WeakPolarHBondContact CA-SG 3.47Å; C56-C316 HydrophobicContact CB-CB 3.76Å; C56-C316 WeakPolarHBondContact CB-SG 3.31Å; C56-C316 WeakPolarHBondContact SG-CB 3.17Å; C56-C316 CovalentContact SG-SG 2.04Å; C56-C316 PolarHBondContact SG-SG 3.12Å
57	L	96	Very high	94.4	Very high	74 Å²	74	66.9 Å²	66.9	39%	0.387	35%	0.354	S	S	.	.	H	α-helix	trans	-73.2	-48	176.7	179.8	61.9	0	0	0	111.6	N54 K61 I62 P63	N54-L57 HydrophobicContact CB-CB 4.13Å; N54-L57 PolarHBondContact O-N 3.42Å; N54-L57 VanDerWaalsContact O-N 3.07Å; N54-L57 PolarHBondContact OD1-N 3.15Å; L57-K61 VanDerWaalsContact O-CA 3.25Å; L57-K61 WeakPolarHBondContact O-CA 3.37Å; L57-K61 WeakPolarHBondContact O-CD 3.21Å; L57-K61 PolarHBondContact O-N 3.39Å; L57-K61 VanDerWaalsContact O-N 3.1Å; L57-I62 WeakPolarHBondContact CA-O 3.25Å; L57-I62 PolarHBondContact N-O 3.12Å; L57-P63 HydrophobicContact CD1-CB 4.31Å
58	D	95.6	Very high	94.7	Very high	84 Å²	84	59.6 Å²	59.6	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-68.9	-46.3	-168.5	-62.6	-26.5	0	0	0	111.2	N54 K61	N54-D58 PolarHBondContact N-OD2 2.95Å; N54-D58 VanDerWaalsContact O-CB 3.27Å; N54-D58 WeakPolarHBondContact O-CB 3.5Å; N54-D58 PolarHBondContact O-N 3.28Å; N54-D58 VanDerWaalsContact O-OD2 3.13Å; D58-K61 PolarHBondContact O-NZ 3.22Å
59	L	94.8	Very high	95	Very high	98 Å²	98	57.8 Å²	57.8	51%	0.513	31%	0.312	S	S	.	.	H	α-helix	trans	-93.6	-38.5	-175	-55.8	-178.6	0	0	0	113.3	V55	V55-L59 HydrophobicContact CB-CD1 4.37Å; V55-L59 WeakPolarHBondContact O-CB 3.45Å; V55-L59 PolarHBondContact O-N 3.25Å; V55-L59 VanDerWaalsContact O-N 3.11Å
60	Y	94.3	Very high	95.1	Very high	47 Å²	47	60.9 Å²	60.9	18%	0.184	33%	0.328	C	S	.	.	H	α-helix	trans	-114.2	0.8	-170.8	-46.4	-62.7	0	0	0	113.8	V55 C56 I62 D310 R312 E313 C316	V55-Y60 WeakPolarHBondContact O-CD2 3.44Å; C56-Y60 CarbonylContact O-C 3.57Å; C56-Y60 PolarHBondContact O-N 3.44Å; Y60-I62 PolarHBondContact O-N 2.93Å; Y60-D310 PolarHBondContact OH-OD1 3.21Å; Y60-D310 PolarHBondContact OH-OD2 2.9Å; Y60-R312 HydrophobicContact CE2-CB 3.78Å; Y60-E313 HydrophobicContact CD1-CB 3.72Å; Y60-E313 HydrophobicContact CD1-CG 3.65Å; Y60-E313 HydrophobicContact CD2-CB 4.34Å; Y60-E313 HydrophobicContact CE1-CB 3.49Å; Y60-E313 VanDerWaalsContact CE1-CB 3.49Å; Y60-E313 HydrophobicContact CE1-CG 3.93Å; Y60-E313 HydrophobicContact CE2-CB 4.15Å; Y60-E313 HydrophobicContact CG-CB 4.15Å; Y60-E313 HydrophobicContact CG-CG 4.07Å; Y60-C316 HydrophobicContact CD2-CB 4.41Å
61	K	95.3	Very high	95.2	Very high	153 Å²	153	63.2 Å²	63.2	67%	0.665	32%	0.324	S	S	*	.			trans	57.2	31	179.1	-48.4	-54.6	176.8	-158.2	0	113.2	C56 L57 D58 P63	C56-K61 PolarHBondContact O-N 3.22Å; C56-K61 VanDerWaalsContact O-N 3.09Å; L57-K61 VanDerWaalsContact O-CA 3.25Å; L57-K61 WeakPolarHBondContact O-CA 3.37Å; L57-K61 WeakPolarHBondContact O-CD 3.21Å; L57-K61 PolarHBondContact O-N 3.39Å; L57-K61 VanDerWaalsContact O-N 3.1Å; D58-K61 PolarHBondContact O-NZ 3.22Å; K61-P63 VanDerWaalsContact O-CD 3.29Å; K61-P63 WeakPolarHBondContact O-CD 3.27Å
62	I	94.4	Very high	95.3	Very high	13 Å²	13	66.1 Å²	66.1	7%	0.067	35%	0.347	C	S	.	.			trans	-97	102.9	175.5	-62.1	173.4	0	0	0	108.1	C56 L57 Y60 C65 C316 C319 L320	C56-I62 CarbonylContact C-O 3.5Å; C56-I62 HydrophobicContact CB-CB 4.35Å; C56-I62 PolarHBondContact O-N 3.28Å; L57-I62 WeakPolarHBondContact CA-O 3.25Å; L57-I62 PolarHBondContact N-O 3.12Å; Y60-I62 PolarHBondContact O-N 2.93Å; I62-C65 HydrophobicContact CG2-CB 3.84Å; I62-C316 HydrophobicContact CD1-CB 3.68Å; I62-C319 HydrophobicContact CG2-CB 4.16Å; I62-L320 HydrophobicContact CD1-CD1 4.08Å; I62-L320 HydrophobicContact CD1-CG 4.4Å; I62-L320 HydrophobicContact CG1-CD1 4.41Å; I62-L320 HydrophobicContact CG1-CD2 4.41Å; I62-L320 HydrophobicContact CG2-CD2 3.96Å; I62-L320 HydrophobicContact CG2-CG 4.28Å
63	P	93.2	Very high	95.6	Very high	68 Å²	68	59.5 Å²	59.5	44%	0.442	32%	0.32	S	S	.	.			trans	-74.7	167.8	180	33.9	-36.9	0	0	0	111.5	L57 K61 C65	L57-P63 HydrophobicContact CD1-CB 4.31Å; K61-P63 VanDerWaalsContact O-CD 3.29Å; K61-P63 WeakPolarHBondContact O-CD 3.27Å; P63-C65 PolarHBondContact O-N 3.26Å; P63-C65 VanDerWaalsContact O-N 3.15Å
64	N	93.4	Very high	95.9	Very high	70 Å²	70	56.8 Å²	56.8	37%	0.374	29%	0.291	S	S	.	.	S	Bend	trans	53.5	36.7	174	-57.7	-22.9	0	0	0	113.1	S32 N35 V36	S32-N64 PolarHBondContact O-ND2 3.13Å; N35-N64 WeakPolarHBondContact CA-O 3.1Å; N35-N64 VanDerWaalsContact OD1-C 3.25Å; N35-N64 PolarHBondContact OD1-O 3.01Å; V36-N64 PolarHBondContact N-O 3.14Å
65	C	95.9	Very high	96	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.3	-176.4	-164.6	0	0	0	0	109.1	N35 N54 C56 I62 P63 C319	N35-C65 PolarHBondContact OD1-N 3.11Å; N54-C65 PolarHBondContact ND2-O 3.41Å; N54-C65 PolarHBondContact OD1-O 2.94Å; N54-C65 VanDerWaalsContact OD1-O 3.1Å; C56-C65 HydrophobicContact CB-CB 3.75Å; C56-C65 PolarHBondContact SG-SG 3.1Å; I62-C65 HydrophobicContact CG2-CB 3.84Å; P63-C65 PolarHBondContact O-N 3.26Å; P63-C65 VanDerWaalsContact O-N 3.15Å; C65-C319 WeakPolarHBondContact CA-SG 3.44Å; C65-C319 HydrophobicContact CB-CB 3.55Å; C65-C319 WeakPolarHBondContact CB-SG 3.49Å; C65-C319 WeakPolarHBondContact SG-CB 3.27Å; C65-C319 CovalentContact SG-SG 2.03Å; C65-C319 PolarHBondContact SG-SG 3.15Å
66	T	96.9	Very high	96	Very high	41 Å²	41	61.9 Å²	61.9	25%	0.252	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113.3	-179.5	-55.3	0	0	0	0	108.7	N35 V36 T37 I38 V68	N35-T66 PolarHBondContact ND2-OG1 3.21Å; N35-T66 PolarHBondContact OD1-OG1 2.97Å; V36-T66 PolarHBondContact O-N 3.37Å; T37-T66 CarbonylContact C-O 3.38Å; T37-T66 WeakPolarHBondContact CA-O 3.27Å; I38-T66 PolarHBondContact N-O 3.1Å; T66-V68 HydrophobicContact CG2-CG1 4.03Å
67	L	97.8	Very high	96	Very high	11 Å²	11	62.1 Å²	62.1	6%	0.058	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.9	177.2	-172.7	64.5	0	0	0	109.9	I38 V40 W43 L51 V55 R312 L315	I38-L67 HydrophobicContact CB-CD1 3.91Å; I38-L67 HydrophobicContact CG2-CD1 3.77Å; V40-L67 HydrophobicContact CG2-CD1 3.69Å; V40-L67 HydrophobicContact CG2-CG 4.41Å; W43-L67 HydrophobicContact CH2-CD2 4.16Å; L51-L67 HydrophobicContact CD1-CG 4.37Å; L51-L67 HydrophobicContact CD2-CD2 3.83Å; L51-L67 HydrophobicContact CD2-CG 4.1Å; V55-L67 HydrophobicContact CG2-CB 4.07Å; V55-L67 HydrophobicContact CG2-CD2 4.15Å; L67-R312 HydrophobicContact CD2-CB 4.01Å; L67-R312 HydrophobicContact CD2-CG 4.08Å; L67-L315 HydrophobicContact CD1-CB 3.93Å; L67-L315 HydrophobicContact CD1-CD1 4.31Å; L67-L315 HydrophobicContact CD2-CB 4.36Å
68	V	97.7	Very high	96	Very high	21 Å²	21	61.6 Å²	61.6	13%	0.127	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157	-178.8	-60	0	0	0	0	111	T37 I38 L39 V40 T66 L73	T37-V68 HydrophobicContact CG2-CG2 3.91Å; I38-V68 WeakPolarHBondContact O-CG2 3.48Å; I38-V68 PolarHBondContact O-N 3.16Å; L39-V68 CarbonylContact C-O 3.55Å; L39-V68 WeakPolarHBondContact CA-O 3.45Å; L39-V68 HydrophobicContact CB-CG2 4.15Å; L39-V68 HydrophobicContact CD1-CG2 3.98Å; V40-V68 PolarHBondContact N-O 2.9Å; T66-V68 HydrophobicContact CG2-CG1 4.03Å; V68-L73 HydrophobicContact CB-CD1 3.73Å; V68-L73 HydrophobicContact CG1-CD1 3.73Å; V68-L73 HydrophobicContact CG2-CB 4.28Å; V68-L73 HydrophobicContact CG2-CD1 3.77Å
69	D	97.1	Very high	96.1	Very high	59 Å²	59	57.6 Å²	57.6	32%	0.316	31%	0.305	S	S	.	.			trans	-131.4	10.1	175.9	62.2	-3.7	0	0	0	113.1	V40 W43 L51	V40-D69 HydrophobicContact CB-CB 4.31Å; W43-D69 HydrophobicContact CZ2-CB 4.49Å; W43-D69 PolarHBondContact NE1-OD2 3.4Å; L51-D69 HydrophobicContact CD1-CB 3.97Å
70	Q	96.6	Very high	96.2	Very high	117 Å²	117	53 Å²	53	55%	0.547	28%	0.28	S	S	.	.			trans	-83.8	114.4	175.7	-60.7	175.7	20.2	0	0	110.3	L39 S72 L73	L39-Q70 WeakPolarHBondContact CD1-O 3.44Å; Q70-S72 PolarHBondContact O-N 3.39Å; Q70-S72 VanDerWaalsContact O-N 3.12Å; Q70-L73 HydrophobicContact CB-CD1 4.12Å; Q70-L73 HydrophobicContact CB-CG 4.27Å; Q70-L73 WeakPolarHBondContact O-CB 2.99Å; Q70-L73 PolarHBondContact O-N 3.15Å
71	R	95.7	Very high	96.4	Very high	133 Å²	133	50.8 Å²	50.8	50%	0.502	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-60.1	-24.3	-178.5	-68	-174.5	178.8	177.3	0.8	114.3	W41 L73 F74	W41-R71 HydrophobicContact CE3-CG 4.22Å; W41-R71 HydrophobicContact CH2-CB 4.31Å; W41-R71 HydrophobicContact CH2-CG 4.12Å; W41-R71 HydrophobicContact CZ2-CG 4.43Å; W41-R71 HydrophobicContact CZ3-CB 4.2Å; W41-R71 HydrophobicContact CZ3-CG 4.01Å; R71-L73 PolarHBondContact O-N 3.43Å; R71-F74 VanDerWaalsContact O-CB 3.23Å; R71-F74 WeakPolarHBondContact O-CB 3.46Å; R71-F74 PolarHBondContact O-N 3.18Å
72	S	96.8	Very high	96.6	Very high	91 Å²	91	43.5 Å²	43.5	64%	0.636	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-59.9	-21.8	173.6	50.9	0	0	0	0	113.2	Q70 F74 P75	Q70-S72 PolarHBondContact O-N 3.39Å; Q70-S72 VanDerWaalsContact O-N 3.12Å; S72-F74 VanDerWaalsContact C-N 3.28Å; S72-F74 PolarHBondContact O-N 3.01Å; S72-P75 VanDerWaalsContact O-CD 3.29Å; S72-P75 WeakPolarHBondContact O-CD 3.4Å
73	L	97.1	Very high	96.7	Very high	52 Å²	52	43 Å²	43	27%	0.272	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-86.1	4.3	177.1	-60.4	174.5	0	0	0	113.2	V68 Q70 R71 P75 S76 A77	V68-L73 HydrophobicContact CB-CD1 3.73Å; V68-L73 HydrophobicContact CG1-CD1 3.73Å; V68-L73 HydrophobicContact CG2-CB 4.28Å; V68-L73 HydrophobicContact CG2-CD1 3.77Å; Q70-L73 HydrophobicContact CB-CD1 4.12Å; Q70-L73 HydrophobicContact CB-CG 4.27Å; Q70-L73 WeakPolarHBondContact O-CB 2.99Å; Q70-L73 PolarHBondContact O-N 3.15Å; R71-L73 PolarHBondContact O-N 3.43Å; L73-P75 VanDerWaalsContact C-CD 3.46Å; L73-P75 VanDerWaalsContact C-N 3.34Å; L73-S76 PolarHBondContact O-N 2.66Å; L73-S76 VanDerWaalsContact O-N 3.15Å; L73-S76 PolarHBondContact O-OG 3.19Å; L73-A77 WeakPolarHBondContact O-CB 3.48Å; L73-A77 PolarHBondContact O-N 2.76Å
74	F	97.9	Very high	96.9	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.022	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-51.8	-43.9	175.1	176.8	-92.8	0	0	0	113.5	L39 W41 R71 S72 S76 A77 V80 P95 L98 Q104 W106	L39-F74 HydrophobicContact CD2-CB 3.94Å; L39-F74 HydrophobicContact CD2-CD2 4.32Å; W41-F74 HydrophobicContact CE3-CD2 4.25Å; W41-F74 HydrophobicContact CZ3-CB 4.12Å; W41-F74 AromaticContact CZ3-CD2 3.71Å; W41-F74 HydrophobicContact CZ3-CD2 3.71Å; W41-F74 HydrophobicContact CZ3-CG 4.17Å; R71-F74 VanDerWaalsContact O-CB 3.23Å; R71-F74 WeakPolarHBondContact O-CB 3.46Å; R71-F74 PolarHBondContact O-N 3.18Å; S72-F74 VanDerWaalsContact C-N 3.28Å; S72-F74 PolarHBondContact O-N 3.01Å; F74-S76 PolarHBondContact O-N 2.83Å; F74-A77 PolarHBondContact O-N 2.78Å; F74-V80 HydrophobicContact CD2-CG2 3.95Å; F74-V80 HydrophobicContact CE2-CG2 4.04Å; F74-P95 HydrophobicContact CD2-CG 4.24Å; F74-P95 HydrophobicContact CE2-CG 3.72Å; F74-P95 HydrophobicContact CZ-CG 4.21Å; F74-L98 HydrophobicContact CD1-CB 4.08Å; F74-L98 HydrophobicContact CD1-CD1 3.76Å; F74-L98 HydrophobicContact CE1-CB 3.6Å; F74-L98 HydrophobicContact CE1-CD1 4.09Å; F74-L98 HydrophobicContact CG-CD1 4.11Å; F74-L98 HydrophobicContact CZ-CB 4.2Å; F74-Q104 VanDerWaalsContact CE2-OE1 3.26Å; F74-Q104 PolarHBondContact O-NE2 3.47Å; F74-W106 AromaticContact CE2-CZ2 3.85Å; F74-W106 HydrophobicContact CE2-CZ2 3.85Å; F74-W106 AromaticContact CE2-NE1 3.8Å; F74-W106 AromaticContact CZ-CZ2 3.9Å; F74-W106 HydrophobicContact CZ-CZ2 3.9Å
75	P	96.8	Very high	97.1	Very high	92 Å²	92	41.1 Å²	41.1	60%	0.597	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-66.3	-22.5	-179.2	-22.3	35.5	0	0	0	114.6	S72 L73 P101	S72-P75 VanDerWaalsContact O-CD 3.29Å; S72-P75 WeakPolarHBondContact O-CD 3.4Å; L73-P75 VanDerWaalsContact C-CD 3.46Å; L73-P75 VanDerWaalsContact C-N 3.34Å; P75-P101 WeakPolarHBondContact O-CG 3.36Å
76	S	95.7	Very high	97.1	Very high	70 Å²	70	41.3 Å²	41.3	49%	0.49	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-107.7	-6.9	-177.3	57.4	0	0	0	0	113.9	L73 F74	L73-S76 PolarHBondContact O-N 2.66Å; L73-S76 VanDerWaalsContact O-N 3.15Å; L73-S76 PolarHBondContact O-OG 3.19Å; F74-S76 PolarHBondContact O-N 2.83Å
77	A	96.9	Very high	97	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.041	21%	0.208	C	C	.	.			trans	-70.4	136.3	178.2	0	0	0	0	0	111.4	L39 L73 F74 V80 Q104	L39-A77 HydrophobicContact CB-CB 3.68Å; L39-A77 HydrophobicContact CD2-CB 4.39Å; L73-A77 WeakPolarHBondContact O-CB 3.48Å; L73-A77 PolarHBondContact O-N 2.76Å; F74-A77 PolarHBondContact O-N 2.78Å; A77-V80 HydrophobicContact CB-CG2 4.14Å; A77-Q104 WeakPolarHBondContact O-CG 3.31Å; A77-Q104 PolarHBondContact O-NE2 2.86Å
78	H	96.2	Very high	96.9	Very high	64 Å²	64	42 Å²	42	30%	0.296	22%	0.221	S	C	.	.	S	Bend	trans	-81.7	-38.3	174.5	-64.2	83.6	0	0	0	111	N35 V36 T37 Q104 R105 Y322	N35-H78 PolarHBondContact O-CE1 3.32Å; V36-H78 HydrophobicContact CG1-CB 4.07Å; T37-H78 PolarHBondContact N-ND1 2.82Å; T37-H78 VanDerWaalsContact N-ND1 3.12Å; T37-H78 WeakPolarHBondContact O-CB 3.38Å; T37-H78 PolarHBondContact O-N 3.04Å; H78-Q104 WeakPolarHBondContact O-CA 3.45Å; H78-R105 PolarHBondContact O-N 2.89Å; H78-Y322 HydrophobicContact CB-CE2 4.24Å
79	V	97.2	Very high	96.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.9	176.2	-175.2	0	0	0	0	109.5	T37 I38 L39 V81 R105 A107 M129 I318 Y322	T37-V79 PolarHBondContact O-N 3.45Å; T37-V79 VanDerWaalsContact O-N 3.12Å; I38-V79 CarbonylContact C-O 3.54Å; I38-V79 WeakPolarHBondContact CA-O 3.46Å; I38-V79 HydrophobicContact CG1-CB 4.43Å; L39-V79 PolarHBondContact N-O 3.06Å; V79-V81 HydrophobicContact CG1-CG2 4.11Å; V79-R105 CarbonylContact C-O 3.54Å; V79-R105 VanDerWaalsContact CA-O 3.28Å; V79-R105 WeakPolarHBondContact CA-O 3.22Å; V79-R105 HydrophobicContact CG2-CB 4.48Å; V79-A107 HydrophobicContact CG1-CB 4.05Å; V79-M129 HydrophobicContact CG1-SD 4.36Å; V79-M129 HydrophobicContact CG2-SD 4.44Å; V79-I318 HydrophobicContact CG1-CG2 4.36Å; V79-I318 HydrophobicContact CG2-CG2 4.09Å; V79-Y322 HydrophobicContact CG2-CD2 3.68Å; V79-Y322 HydrophobicContact CG2-CE2 3.61Å
80	V	98.1	Very high	96.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.6	171	-170.6	0	0	0	0	108.8	L39 W41 F74 A77 F82 Q104 R105 W106 A107	L39-V80 HydrophobicContact CB-CG1 4.45Å; L39-V80 HydrophobicContact CB-CG2 4.36Å; L39-V80 HydrophobicContact CD2-CG1 4.19Å; L39-V80 HydrophobicContact CD2-CG2 4.32Å; L39-V80 HydrophobicContact CG-CG1 4.3Å; L39-V80 CarbonylContact O-C 3.38Å; L39-V80 WeakPolarHBondContact O-CA 3.33Å; W41-V80 HydrophobicContact CB-CG1 4.09Å; W41-V80 HydrophobicContact CE3-CG1 4.05Å; F74-V80 HydrophobicContact CD2-CG2 3.95Å; F74-V80 HydrophobicContact CE2-CG2 4.04Å; A77-V80 HydrophobicContact CB-CG2 4.14Å; V80-F82 HydrophobicContact CB-CE2 3.8Å; V80-F82 HydrophobicContact CB-CZ 4.22Å; V80-F82 HydrophobicContact CG1-CD2 4.32Å; V80-F82 HydrophobicContact CG1-CE1 4.38Å; V80-F82 HydrophobicContact CG1-CE2 3.48Å; V80-F82 VanDerWaalsContact CG1-CE2 3.48Å; V80-F82 HydrophobicContact CG1-CZ 3.5Å; V80-F82 WeakPolarHBondContact O-CD2 3.28Å; V80-F82 WeakPolarHBondContact O-CE2 3.37Å; V80-Q104 HydrophobicContact CG2-CG 4.07Å; V80-R105 PolarHBondContact N-O 2.94Å; V80-W106 WeakPolarHBondContact O-CA 2.96Å; V80-A107 PolarHBondContact O-N 2.93Å
81	V	98.4	Very high	96.4	Very high	1 Å²	1	43 Å²	43	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.7	-174.3	-174.3	0	0	0	0	110.6	I38 L39 W41 V79 A107 M109 I131 L315 I318	I38-V81 HydrophobicContact CG2-CG2 3.74Å; L39-V81 PolarHBondContact O-N 2.74Å; W41-V81 WeakPolarHBondContact CB-O 3.36Å; W41-V81 PolarHBondContact N-O 3.33Å; W41-V81 VanDerWaalsContact N-O 3.1Å; V79-V81 HydrophobicContact CG1-CG2 4.11Å; V81-A107 HydrophobicContact CG2-CB 4.23Å; V81-M109 HydrophobicContact CG1-CB 3.83Å; V81-M109 HydrophobicContact CG1-CE 4.19Å; V81-M109 HydrophobicContact CG1-SD 4.03Å; V81-I131 HydrophobicContact CG1-CD1 4.05Å; V81-I131 HydrophobicContact CG2-CD1 4.23Å; V81-L315 HydrophobicContact CB-CD2 4.21Å; V81-L315 HydrophobicContact CG1-CD2 3.79Å; V81-L315 HydrophobicContact CG2-CD2 4Å; V81-I318 HydrophobicContact CG2-CD1 3.71Å
82	F	98.3	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.1	179.6	-58.5	-99.2	0	0	0	109.7	W41 V80 L87 L94 P95 W106 A107 M109 F127	W41-F82 HydrophobicContact CB-CD1 4.1Å; W41-F82 HydrophobicContact CB-CE1 3.94Å; W41-F82 HydrophobicContact CB-CZ 4.45Å; W41-F82 AromaticContact CD1-CE1 3.96Å; W41-F82 HydrophobicContact CD2-CE1 4.1Å; W41-F82 HydrophobicContact CG-CD1 4.12Å; W41-F82 AromaticContact CG-CE1 3.66Å; W41-F82 HydrophobicContact CG-CE1 3.66Å; W41-F82 HydrophobicContact CG-CZ 4.37Å; V80-F82 HydrophobicContact CB-CE2 3.8Å; V80-F82 HydrophobicContact CB-CZ 4.22Å; V80-F82 HydrophobicContact CG1-CD2 4.32Å; V80-F82 HydrophobicContact CG1-CE1 4.38Å; V80-F82 HydrophobicContact CG1-CE2 3.48Å; V80-F82 VanDerWaalsContact CG1-CE2 3.48Å; V80-F82 HydrophobicContact CG1-CZ 3.5Å; V80-F82 WeakPolarHBondContact O-CD2 3.28Å; V80-F82 WeakPolarHBondContact O-CE2 3.37Å; F82-L87 HydrophobicContact CB-CD1 3.83Å; F82-L87 HydrophobicContact CB-CG 4.38Å; F82-L87 HydrophobicContact CD1-CD2 4.36Å; F82-L94 HydrophobicContact CD1-CD2 3.39Å; F82-L94 HydrophobicContact CD2-CD2 4.41Å; F82-L94 HydrophobicContact CE1-CD2 3.54Å; F82-L94 HydrophobicContact CE2-CD2 4.47Å; F82-L94 HydrophobicContact CG-CD2 3.91Å; F82-L94 HydrophobicContact CZ-CD2 4.08Å; F82-P95 HydrophobicContact CE1-CG 4.47Å; F82-P95 HydrophobicContact CZ-CG 4.28Å; F82-W106 HydrophobicContact CD2-CB 4.47Å; F82-W106 HydrophobicContact CE2-CB 4.02Å; F82-W106 AromaticContact CE2-CD2 3.54Å; F82-W106 HydrophobicContact CE2-CD2 3.54Å; F82-W106 AromaticContact CE2-CE3 3.76Å; F82-W106 HydrophobicContact CE2-CE3 3.76Å; F82-W106 AromaticContact CE2-CG 3.67Å; F82-W106 HydrophobicContact CE2-CG 3.67Å; F82-W106 HydrophobicContact CE2-CZ3 4.47Å; F82-W106 AromaticContact CZ-CD2 3.83Å; F82-W106 HydrophobicContact CZ-CD2 3.83Å; F82-W106 AromaticContact CZ-CE2 4Å; F82-W106 AromaticContact CZ-CE3 3.88Å; F82-W106 HydrophobicContact CZ-CE3 3.88Å; F82-W106 HydrophobicContact CZ-CG 4.38Å; F82-W106 HydrophobicContact CZ-CH2 4.32Å; F82-W106 HydrophobicContact CZ-CZ2 4.25Å; F82-W106 HydrophobicContact CZ-CZ3 4.14Å; F82-A107 PolarHBondContact N-O 2.85Å; F82-M109 PolarHBondContact O-N 3.03Å; F82-F127 HydrophobicContact CB-CE1 3.91Å; F82-F127 HydrophobicContact CB-CZ 4.19Å; F82-F127 AromaticContact CD2-CE1 3.68Å; F82-F127 HydrophobicContact CD2-CE1 3.68Å; F82-F127 HydrophobicContact CE2-CE1 4.46Å; F82-F127 AromaticContact CG-CE1 3.94Å; F82-F127 HydrophobicContact CG-CE1 3.94Å; F82-F127 HydrophobicContact CG-CZ 4.44Å
83	H	97.7	Very high	96.1	Very high	2 Å²	2	40 Å²	40	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.5	174.8	-174.1	-124.1	0	0	0	110.4	P44 F45 R85 E86 L87 M109	P44-H83 HydrophobicContact CG-CB 4.13Å; F45-H83 AromaticContact CE2-CE1 3.91Å; F45-H83 AromaticContact CZ-CE1 3.8Å; H83-R85 VanDerWaalsContact C-N 3.29Å; H83-R85 VanDerWaalsContact CE1-CB 3.41Å; H83-R85 WeakPolarHBondContact CE1-CB 3.3Å; H83-R85 PolarHBondContact O-N 3.22Å; H83-E86 WeakPolarHBondContact CB-OE2 3.35Å; H83-E86 IonicContact CE1-OE2 2.79Å; H83-E86 IonicContact CG-OE2 3.38Å; H83-E86 IonicContact ND1-OE1 2.66Å; H83-E86 IonicContact ND1-OE2 3.72Å; H83-E86 PolarHBondContact ND1-OE2 3.06Å; H83-E86 PolarHBondContact O-N 3.23Å; H83-L87 PolarHBondContact O-N 2.76Å; H83-M109 WeakPolarHBondContact CA-O 2.83Å; H83-M109 HydrophobicContact CB-CE 3.88Å; H83-M109 PolarHBondContact CD2-O 2.89Å
84	N	97.6	Very high	96	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.011	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-35.3	-171	-172.3	49.1	0	0	0	112.7	E86 L87 V88 W108 M109 N117 L120	N84-E86 PolarHBondContact O-N 3.34Å; N84-L87 PolarHBondContact O-N 3.17Å; N84-V88 WeakPolarHBondContact O-CG2 3.22Å; N84-V88 PolarHBondContact O-N 2.8Å; N84-W108 HydrophobicContact CB-CZ2 4.01Å; N84-W108 PolarHBondContact OD1-NE1 3.47Å; N84-M109 PolarHBondContact N-O 3.03Å; N84-N117 WeakPolarHBondContact ND2-CA 3.42Å; N84-N117 WeakPolarHBondContact ND2-CB 2.97Å; N84-N117 PolarHBondContact ND2-O 2.98Å; N84-N117 PolarHBondContact ND2-OD1 3.3Å; N84-N117 VanDerWaalsContact ND2-OD1 3.08Å; N84-L120 WeakPolarHBondContact OD1-CD2 3.28Å
85	R	96.2	Very high	95.9	Very high	97 Å²	97	39.3 Å²	39.3	37%	0.366	22%	0.221	S	C	.	.	H	α-helix	trans	-58.4	-48.4	-177.1	-174.2	65.4	177	-161.3	-2.4	111.6	F45 H83 V88 Q89	F45-R85 HydrophobicContact CD1-CG 4.29Å; F45-R85 HydrophobicContact CE1-CB 4.38Å; F45-R85 HydrophobicContact CE1-CG 3.98Å; H83-R85 VanDerWaalsContact C-N 3.29Å; H83-R85 VanDerWaalsContact CE1-CB 3.41Å; H83-R85 WeakPolarHBondContact CE1-CB 3.3Å; H83-R85 PolarHBondContact O-N 3.22Å; R85-V88 PolarHBondContact O-N 3.11Å; R85-Q89 WeakPolarHBondContact O-CB 3.36Å; R85-Q89 VanDerWaalsContact O-CG 3.27Å; R85-Q89 WeakPolarHBondContact O-CG 3.23Å; R85-Q89 PolarHBondContact O-N 3.48Å
86	E	96.4	Very high	95.7	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.023	22%	0.223	C	C	.	.	H	α-helix	trans	-70.4	-33	-179.3	-71.7	67.4	-140	0	0	112.2	K42 F45 H83 N84 G90 S91 Q92	K42-E86 HydrophobicContact CD-CB 4.18Å; K42-E86 HydrophobicContact CD-CG 3.92Å; K42-E86 HydrophobicContact CG-CG 4.43Å; F45-E86 WeakPolarHBondContact CA-OE1 3.47Å; F45-E86 PolarHBondContact N-OE1 2.88Å; H83-E86 WeakPolarHBondContact CB-OE2 3.35Å; H83-E86 IonicContact CE1-OE2 2.79Å; H83-E86 IonicContact CG-OE2 3.38Å; H83-E86 IonicContact ND1-OE1 2.66Å; H83-E86 IonicContact ND1-OE2 3.72Å; H83-E86 PolarHBondContact ND1-OE2 3.06Å; H83-E86 PolarHBondContact O-N 3.23Å; N84-E86 PolarHBondContact O-N 3.34Å; E86-G90 PolarHBondContact O-N 2.83Å; E86-S91 VanDerWaalsContact CB-OG 3.31Å; E86-S91 WeakPolarHBondContact CB-OG 3.46Å; E86-S91 VanDerWaalsContact CG-OG 3.27Å; E86-S91 WeakPolarHBondContact CG-OG 3.45Å; E86-S91 PolarHBondContact O-N 3.15Å; E86-Q92 HydrophobicContact CB-CB 3.68Å; E86-Q92 PolarHBondContact O-N 2.99Å; E86-Q92 VanDerWaalsContact O-N 3.14Å
87	L	96.1	Very high	95.5	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-42.9	173.7	-70.9	177.7	0	0	0	112.7	F82 H83 N84 G90 Q92 L94 F123 F127	F82-L87 HydrophobicContact CB-CD1 3.83Å; F82-L87 HydrophobicContact CB-CG 4.38Å; F82-L87 HydrophobicContact CD1-CD2 4.36Å; H83-L87 PolarHBondContact O-N 2.76Å; N84-L87 PolarHBondContact O-N 3.17Å; L87-G90 PolarHBondContact O-N 3.11Å; L87-Q92 HydrophobicContact CD2-CB 4.47Å; L87-Q92 HydrophobicContact CD2-CG 4.05Å; L87-L94 HydrophobicContact CD1-CD2 4.47Å; L87-L94 HydrophobicContact CD2-CD2 3.88Å; L87-L94 HydrophobicContact CD2-CG 4.14Å; L87-F123 HydrophobicContact CB-CZ 3.85Å; L87-F123 HydrophobicContact CD1-CE1 4.32Å; L87-F123 HydrophobicContact CD1-CZ 4.04Å; L87-F123 HydrophobicContact CG-CZ 4.47Å; L87-F127 HydrophobicContact CD1-CZ 3.85Å
88	V	94.9	Very high	95.3	Very high	56 Å²	56	49.1 Å²	49.1	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-74.9	-36.3	-178.8	173.1	0	0	0	0	111.1	N84 R85 G90 N117	N84-V88 WeakPolarHBondContact O-CG2 3.22Å; N84-V88 PolarHBondContact O-N 2.8Å; R85-V88 PolarHBondContact O-N 3.11Å; V88-G90 PolarHBondContact O-N 2.74Å; V88-N117 WeakPolarHBondContact CG2-O 3.46Å
89	Q	93.8	Very high	95.2	Very high	112 Å²	112	51.6 Å²	51.6	52%	0.523	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.8	175	-69.5	-177.1	-32.4	0	0	113.7	R85 S91	R85-Q89 WeakPolarHBondContact O-CB 3.36Å; R85-Q89 VanDerWaalsContact O-CG 3.27Å; R85-Q89 WeakPolarHBondContact O-CG 3.23Å; R85-Q89 PolarHBondContact O-N 3.48Å; Q89-S91 PolarHBondContact O-N 2.82Å
90	G	93.4	Very high	95	Very high	50 Å²	50	56 Å²	56	52%	0.515	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	8.4	-178.8	0	0	0	0	0	114.5	E86 L87 V88 Q92	E86-G90 PolarHBondContact O-N 2.83Å; L87-G90 PolarHBondContact O-N 3.11Å; V88-G90 PolarHBondContact O-N 2.74Å; G90-Q92 PolarHBondContact O-N 3.16Å
91	S	93.3	Very high	94.8	Very high	56 Å²	56	57.8 Å²	57.8	39%	0.392	31%	0.306	S	S	.	.	S	Bend	trans	-78.2	-6.6	174.7	80.3	0	0	0	0	112.2	K42 E86 Q89	K42-S91 PolarHBondContact NZ-O 3.29Å; K42-S91 PolarHBondContact NZ-OG 3.44Å; E86-S91 VanDerWaalsContact CB-OG 3.31Å; E86-S91 WeakPolarHBondContact CB-OG 3.46Å; E86-S91 VanDerWaalsContact CG-OG 3.27Å; E86-S91 WeakPolarHBondContact CG-OG 3.45Å; E86-S91 PolarHBondContact O-N 3.15Å; Q89-S91 PolarHBondContact O-N 2.82Å
92	Q	93.1	Very high	94.5	Very high	7 Å²	7	67.4 Å²	67.4	3%	0.033	35%	0.351	C	S	.	.	S	Bend	trans	-136.2	147.2	170.3	176.3	178.7	-11.3	0	0	109.7	K42 E86 L87 G90	K42-Q92 HydrophobicContact CB-CG 4.32Å; K42-Q92 HydrophobicContact CD-CB 3.97Å; E86-Q92 HydrophobicContact CB-CB 3.68Å; E86-Q92 PolarHBondContact O-N 2.99Å; E86-Q92 VanDerWaalsContact O-N 3.14Å; L87-Q92 HydrophobicContact CD2-CB 4.47Å; L87-Q92 HydrophobicContact CD2-CG 4.05Å; G90-Q92 PolarHBondContact O-N 3.16Å
93	Q	93.1	Very high	94.1	Very high	155 Å²	155	69.2 Å²	69.2	72%	0.724	37%	0.369	S	S	*	.			trans	-123.1	154.6	170.4	-62.3	-179.7	8.6	0	0	110	W41	W41-Q93 PolarHBondContact NE1-O 3.03Å
94	L	96.1	Very high	94	Very high	28 Å²	28	69.5 Å²	69.5	15%	0.147	37%	0.371	C	S	.	.			trans	-72.9	136.1	171.5	-63.3	175.7	0	0	0	109.2	F82 L87 I96 W106 F123 I126 F127	F82-L94 HydrophobicContact CD1-CD2 3.39Å; F82-L94 HydrophobicContact CD2-CD2 4.41Å; F82-L94 HydrophobicContact CE1-CD2 3.54Å; F82-L94 HydrophobicContact CE2-CD2 4.47Å; F82-L94 HydrophobicContact CG-CD2 3.91Å; F82-L94 HydrophobicContact CZ-CD2 4.08Å; L87-L94 HydrophobicContact CD1-CD2 4.47Å; L87-L94 HydrophobicContact CD2-CD2 3.88Å; L87-L94 HydrophobicContact CD2-CG 4.14Å; L94-I96 HydrophobicContact CB-CG2 3.89Å; L94-I96 PolarHBondContact O-N 3.22Å; L94-W106 HydrophobicContact CB-CH2 4.33Å; L94-W106 HydrophobicContact CB-CZ3 3.92Å; L94-W106 HydrophobicContact CD1-CZ3 4.33Å; L94-W106 HydrophobicContact CD2-CE3 4.18Å; L94-W106 HydrophobicContact CD2-CZ3 3.89Å; L94-W106 HydrophobicContact CG-CZ3 4.26Å; L94-F123 HydrophobicContact CD1-CD1 4.1Å; L94-F123 HydrophobicContact CD1-CE1 4.18Å; L94-I126 HydrophobicContact CD1-CD1 3.57Å; L94-I126 HydrophobicContact CD1-CG2 3.85Å; L94-F127 HydrophobicContact CD2-CE1 4.34Å; L94-F127 HydrophobicContact CD2-CZ 3.99Å
95	P	95.5	Very high	93.9	Very high	14 Å²	14	70.2 Å²	70.2	9%	0.091	37%	0.373	C	S	.	.			trans	-79.1	60	177.7	33.3	-36	0	0	0	111.6	W41 F74 F82 E97 L98 W106	W41-P95 HydrophobicContact CD2-CG 4.34Å; W41-P95 HydrophobicContact CE3-CG 4.25Å; W41-P95 HydrophobicContact CH2-CB 3.49Å; W41-P95 VanDerWaalsContact CH2-CB 3.49Å; W41-P95 HydrophobicContact CH2-CG 3.62Å; W41-P95 HydrophobicContact CZ2-CB 3.53Å; W41-P95 HydrophobicContact CZ2-CG 3.69Å; W41-P95 HydrophobicContact CZ3-CB 4.26Å; W41-P95 HydrophobicContact CZ3-CG 3.91Å; F74-P95 HydrophobicContact CD2-CG 4.24Å; F74-P95 HydrophobicContact CE2-CG 3.72Å; F74-P95 HydrophobicContact CZ-CG 4.21Å; F82-P95 HydrophobicContact CE1-CG 4.47Å; F82-P95 HydrophobicContact CZ-CG 4.28Å; P95-E97 PolarHBondContact O-N 3.28Å; P95-L98 HydrophobicContact CB-CB 4.33Å; P95-L98 HydrophobicContact CB-CD1 3.81Å; P95-L98 HydrophobicContact CB-CG 4.03Å; P95-L98 PolarHBondContact O-N 2.99Å; P95-L98 VanDerWaalsContact O-N 3.12Å; P95-W106 HydrophobicContact CG-CH2 3.83Å; P95-W106 HydrophobicContact CG-CZ2 3.74Å
96	I	92.2	Very high	93.9	Very high	123 Å²	123	66.1 Å²	66.1	63%	0.631	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.1	-177.7	58.5	173.1	0	0	0	113.2	L94 L98	L94-I96 HydrophobicContact CB-CG2 3.89Å; L94-I96 PolarHBondContact O-N 3.22Å; I96-L98 VanDerWaalsContact C-N 3.32Å
97	E	92.2	Very high	94	Very high	171 Å²	171	65.9 Å²	65.9	80%	0.799	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.5	175.6	-56.6	-60.9	168.4	0	0	113	P95	P95-E97 PolarHBondContact O-N 3.28Å
98	L	92.1	Very high	94.1	Very high	79 Å²	79	65.5 Å²	65.5	41%	0.414	35%	0.354	S	S	.	.	S	Bend	trans	-86.6	134.9	177.8	-60.9	-176.6	0	0	0	109.7	W41 F74 P95 I96 R100	W41-L98 HydrophobicContact CH2-CD1 4.24Å; F74-L98 HydrophobicContact CD1-CB 4.08Å; F74-L98 HydrophobicContact CD1-CD1 3.76Å; F74-L98 HydrophobicContact CE1-CB 3.6Å; F74-L98 HydrophobicContact CE1-CD1 4.09Å; F74-L98 HydrophobicContact CG-CD1 4.11Å; F74-L98 HydrophobicContact CZ-CB 4.2Å; P95-L98 HydrophobicContact CB-CB 4.33Å; P95-L98 HydrophobicContact CB-CD1 3.81Å; P95-L98 HydrophobicContact CB-CG 4.03Å; P95-L98 PolarHBondContact O-N 2.99Å; P95-L98 VanDerWaalsContact O-N 3.12Å; I96-L98 VanDerWaalsContact C-N 3.32Å; L98-R100 PolarHBondContact O-N 2.85Å
99	P	93.2	Very high	94.2	Very high	116 Å²	116	62.9 Å²	62.9	75%	0.753	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-63.4	116.4	175.5	26.6	-33	0	0	0	108.9	P101	P99-P101 VanDerWaalsContact O-CD 3.27Å; P99-P101 WeakPolarHBondContact O-CD 3.44Å
100	R	93.6	Very high	94.4	Very high	92 Å²	92	57.6 Å²	57.6	35%	0.347	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-70.2	117.8	178.7	-176	-176.8	174.8	158.1	-0.6	109.6	L98 Q104 I126 N128	L98-R100 PolarHBondContact O-N 2.85Å; R100-Q104 PolarHBondContact NE-O 3.2Å; R100-Q104 VanDerWaalsContact NE-O 3.13Å; R100-Q104 PolarHBondContact NH2-O 3.33Å; R100-I126 PolarHBondContact NH1-O 3.47Å; R100-N128 PolarHBondContact NH2-OD1 2.86Å
101	P	94.3	Very high	94.6	Very high	39 Å²	39	56.1 Å²	56.1	25%	0.253	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-58.2	145.1	179.1	-23.8	33.8	0	0	0	112.3	P75 P99 G103 Q104	P75-P101 WeakPolarHBondContact O-CG 3.36Å; P99-P101 VanDerWaalsContact O-CD 3.27Å; P99-P101 WeakPolarHBondContact O-CD 3.44Å; P101-G103 PolarHBondContact O-N 3.44Å; P101-Q104 HydrophobicContact CB-CB 4.2Å; P101-Q104 WeakPolarHBondContact O-CB 3.44Å; P101-Q104 PolarHBondContact O-N 3.01Å; P101-Q104 VanDerWaalsContact O-N 3.15Å
102	Q	91.7	Very high	94.7	Very high	202 Å²	202	55.5 Å²	55.5	94%	0.944	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	129.6	176.2	-171.8	-179.6	5.5	0	0	110.3	Q104	Q102-Q104 VanDerWaalsContact C-N 3.25Å; Q102-Q104 PolarHBondContact O-N 2.87Å
103	G	90.6	Very high	94.8	Very high	38 Å²	38	55.2 Å²	55.2	39%	0.392	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-11.6	179.5	0	0	0	0	0	115.4	P101 R105	P101-G103 PolarHBondContact O-N 3.44Å; G103-R105 PolarHBondContact O-N 2.9Å
104	Q	94.3	Very high	95	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.037	26%	0.258	C	S	.	.			trans	-62.5	134.3	171.3	179.2	177.4	97.9	0	0	109.8	F74 A77 H78 V80 R100 P101 Q102	F74-Q104 VanDerWaalsContact CE2-OE1 3.26Å; F74-Q104 PolarHBondContact O-NE2 3.47Å; A77-Q104 WeakPolarHBondContact O-CG 3.31Å; A77-Q104 PolarHBondContact O-NE2 2.86Å; H78-Q104 WeakPolarHBondContact O-CA 3.45Å; V80-Q104 HydrophobicContact CG2-CG 4.07Å; R100-Q104 PolarHBondContact NE-O 3.2Å; R100-Q104 VanDerWaalsContact NE-O 3.13Å; R100-Q104 PolarHBondContact NH2-O 3.33Å; P101-Q104 HydrophobicContact CB-CB 4.2Å; P101-Q104 WeakPolarHBondContact O-CB 3.44Å; P101-Q104 PolarHBondContact O-N 3.01Å; P101-Q104 VanDerWaalsContact O-N 3.15Å; Q102-Q104 VanDerWaalsContact C-N 3.25Å; Q102-Q104 PolarHBondContact O-N 2.87Å
105	R	95.6	Very high	94.9	Very high	18 Å²	18	51.6 Å²	51.6	7%	0.068	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.6	178.9	-61.1	179.8	-171.9	173.2	-0.9	111.3	H78 V79 V80 G103 N128 M129 Y322 L325	H78-R105 PolarHBondContact O-N 2.89Å; V79-R105 CarbonylContact C-O 3.54Å; V79-R105 VanDerWaalsContact CA-O 3.28Å; V79-R105 WeakPolarHBondContact CA-O 3.22Å; V79-R105 HydrophobicContact CG2-CB 4.48Å; V80-R105 PolarHBondContact N-O 2.94Å; G103-R105 PolarHBondContact O-N 2.9Å; R105-N128 HydrophobicContact CB-CB 4.3Å; R105-M129 HydrophobicContact CB-SD 3.9Å; R105-M129 HydrophobicContact CG-SD 4.48Å; R105-Y322 PolarHBondContact NH1-O 3.22Å; R105-L325 VanDerWaalsContact NH1-CB 3.34Å; R105-L325 PolarHBondContact NH1-O 3.36Å; R105-L325 PolarHBondContact NH2-O 3.07Å; R105-L325 VanDerWaalsContact NH2-O 3.13Å
106	W	97.3	Very high	94.9	Very high	11 Å²	11	53.9 Å²	53.9	4%	0.042	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.3	173.1	-75.9	17.3	0	0	0	109	F74 V80 F82 L94 P95 I126 F127 N128 M129	F74-W106 AromaticContact CE2-CZ2 3.85Å; F74-W106 HydrophobicContact CE2-CZ2 3.85Å; F74-W106 AromaticContact CE2-NE1 3.8Å; F74-W106 AromaticContact CZ-CZ2 3.9Å; F74-W106 HydrophobicContact CZ-CZ2 3.9Å; V80-W106 WeakPolarHBondContact O-CA 2.96Å; F82-W106 HydrophobicContact CD2-CB 4.47Å; F82-W106 HydrophobicContact CE2-CB 4.02Å; F82-W106 AromaticContact CE2-CD2 3.54Å; F82-W106 HydrophobicContact CE2-CD2 3.54Å; F82-W106 AromaticContact CE2-CE3 3.76Å; F82-W106 HydrophobicContact CE2-CE3 3.76Å; F82-W106 AromaticContact CE2-CG 3.67Å; F82-W106 HydrophobicContact CE2-CG 3.67Å; F82-W106 HydrophobicContact CE2-CZ3 4.47Å; F82-W106 AromaticContact CZ-CD2 3.83Å; F82-W106 HydrophobicContact CZ-CD2 3.83Å; F82-W106 AromaticContact CZ-CE2 4Å; F82-W106 AromaticContact CZ-CE3 3.88Å; F82-W106 HydrophobicContact CZ-CE3 3.88Å; F82-W106 HydrophobicContact CZ-CG 4.38Å; F82-W106 HydrophobicContact CZ-CH2 4.32Å; F82-W106 HydrophobicContact CZ-CZ2 4.25Å; F82-W106 HydrophobicContact CZ-CZ3 4.14Å; L94-W106 HydrophobicContact CB-CH2 4.33Å; L94-W106 HydrophobicContact CB-CZ3 3.92Å; L94-W106 HydrophobicContact CD1-CZ3 4.33Å; L94-W106 HydrophobicContact CD2-CE3 4.18Å; L94-W106 HydrophobicContact CD2-CZ3 3.89Å; L94-W106 HydrophobicContact CG-CZ3 4.26Å; P95-W106 HydrophobicContact CG-CH2 3.83Å; P95-W106 HydrophobicContact CG-CZ2 3.74Å; W106-I126 HydrophobicContact CE3-CG2 3.71Å; W106-I126 HydrophobicContact CZ3-CG2 4Å; W106-F127 HydrophobicContact CB-CD1 3.99Å; W106-F127 HydrophobicContact CB-CE1 4.49Å; W106-N128 PolarHBondContact N-OD1 3.3Å; W106-N128 PolarHBondContact O-N 3.27Å; W106-M129 PolarHBondContact O-N 3.44Å
107	A	97.8	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.3	-177.4	0	0	0	0	0	110.6	V79 V80 V81 F82 M129 I131	V79-A107 HydrophobicContact CG1-CB 4.05Å; V80-A107 PolarHBondContact O-N 2.93Å; V81-A107 HydrophobicContact CG2-CB 4.23Å; F82-A107 PolarHBondContact N-O 2.85Å; A107-M129 WeakPolarHBondContact CA-O 3.45Å; A107-M129 HydrophobicContact CB-CB 3.84Å; A107-I131 HydrophobicContact CB-CD1 3.73Å; A107-I131 HydrophobicContact CB-CG1 4.04Å
108	W	98.2	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.5	168	176.4	87.5	0	0	0	108.7	N84 N117 L120 F127 M129 T130 I131 L334 W337	N84-W108 HydrophobicContact CB-CZ2 4.01Å; N84-W108 PolarHBondContact OD1-NE1 3.47Å; W108-N117 HydrophobicContact CZ2-CB 4.43Å; W108-L120 HydrophobicContact CH2-CD1 4.46Å; W108-L120 HydrophobicContact CZ2-CD1 3.81Å; W108-L120 HydrophobicContact CZ2-CD2 4.24Å; W108-F127 HydrophobicContact CB-CB 4.12Å; W108-F127 HydrophobicContact CB-CD1 3.8Å; W108-F127 HydrophobicContact CB-CD2 3.79Å; W108-F127 HydrophobicContact CB-CE1 4.08Å; W108-F127 HydrophobicContact CB-CE2 4.04Å; W108-F127 HydrophobicContact CB-CG 3.64Å; W108-F127 HydrophobicContact CB-CZ 4.18Å; W108-F127 AromaticContact CD1-CE2 3.86Å; W108-F127 HydrophobicContact CG-CD2 4.37Å; W108-F127 HydrophobicContact CG-CE2 4.33Å; W108-M129 PolarHBondContact N-O 2.01Å; W108-T130 HydrophobicContact CE3-CG2 4.26Å; W108-T130 CarbonylContact O-C 3.6Å; W108-I131 PolarHBondContact O-N 3.26Å; W108-L334 HydrophobicContact CB-CD2 4.18Å; W108-L334 HydrophobicContact CD2-CD1 4.32Å; W108-L334 HydrophobicContact CD2-CD2 4.06Å; W108-L334 HydrophobicContact CE3-CD1 4.36Å; W108-L334 HydrophobicContact CG-CD2 3.72Å; W108-W337 HydrophobicContact CE3-CZ3 4.18Å; W108-W337 HydrophobicContact CH2-CZ3 4.23Å; W108-W337 HydrophobicContact CZ3-CH2 4.21Å; W108-W337 AromaticContact CZ3-CZ3 3.54Å; W108-W337 HydrophobicContact CZ3-CZ3 3.54Å
109	M	98	Very high	95.3	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.3	-179.4	-177.3	176.4	71.4	0	0	111.4	P44 V81 F82 H83 N84 I131 W311 L315	P44-M109 HydrophobicContact CG-CE 3.56Å; V81-M109 HydrophobicContact CG1-CB 3.83Å; V81-M109 HydrophobicContact CG1-CE 4.19Å; V81-M109 HydrophobicContact CG1-SD 4.03Å; F82-M109 PolarHBondContact O-N 3.03Å; H83-M109 WeakPolarHBondContact CA-O 2.83Å; H83-M109 HydrophobicContact CB-CE 3.88Å; H83-M109 PolarHBondContact CD2-O 2.89Å; N84-M109 PolarHBondContact N-O 3.03Å; M109-I131 CarbonylContact C-O 3.58Å; M109-I131 VanDerWaalsContact CA-O 3.31Å; M109-I131 WeakPolarHBondContact CA-O 3.46Å; M109-I131 HydrophobicContact CB-CB 3.95Å; M109-I131 HydrophobicContact CB-CD1 4.47Å; M109-I131 HydrophobicContact CB-CG2 4.48Å; M109-I131 HydrophobicContact CG-CB 3.9Å; M109-I131 HydrophobicContact CG-CG2 3.92Å; M109-I131 HydrophobicContact SD-CG2 4.28Å; M109-W311 HydrophobicContact CE-CE3 4.26Å; M109-W311 HydrophobicContact CE-CZ3 4.3Å; M109-W311 HydrophobicContact SD-CE3 4.24Å; M109-W311 HydrophobicContact SD-CZ3 4.15Å; M109-L315 HydrophobicContact CE-CD2 4.42Å; M109-L315 HydrophobicContact SD-CD2 3.75Å
110	S	97.3	Very high	95.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	131.6	169.9	-166	0	0	0	0	111.9	E112 N117 I131 S132	S110-E112 PolarHBondContact OG-N 2.78Å; S110-E112 VanDerWaalsContact OG-N 3.12Å; S110-N117 WeakPolarHBondContact CB-OD1 3.28Å; S110-N117 PolarHBondContact OG-OD1 3.08Å; S110-I131 PolarHBondContact N-O 3Å; S110-S132 VanDerWaalsContact O-CA 3.29Å; S110-S132 WeakPolarHBondContact O-CA 3.44Å; S110-S132 WeakPolarHBondContact O-CB 2.96Å; S110-S132 PolarHBondContact O-OG 2.74Å
111	L	96.4	Very high	95.5	Very high	20 Å²	20	39 Å²	39	11%	0.105	22%	0.223	C	C	.	.			trans	-97.5	3.9	164.8	-58.4	-171.1	0	0	0	112.5	Y133 I141 Y143 Y230 W311	L111-Y133 WeakPolarHBondContact O-CD1 3.31Å; L111-I141 HydrophobicContact CD1-CG2 4.25Å; L111-I141 HydrophobicContact CD2-CB 3.99Å; L111-I141 HydrophobicContact CD2-CG2 4.27Å; L111-Y143 HydrophobicContact CB-CE2 4.16Å; L111-Y143 PolarHBondContact O-OH 3.48Å; L111-Y230 WeakPolarHBondContact O-CE2 3.47Å; L111-W311 HydrophobicContact CB-CH2 4.41Å; L111-W311 HydrophobicContact CD1-CH2 3.42Å; L111-W311 VanDerWaalsContact CD1-CH2 3.42Å; L111-W311 HydrophobicContact CD1-CZ2 4.43Å; L111-W311 HydrophobicContact CD1-CZ3 3.66Å; L111-W311 HydrophobicContact CG-CH2 3.71Å; L111-W311 HydrophobicContact CG-CZ3 3.95Å
112	E	96	Very high	95.5	Very high	43 Å²	43	42.8 Å²	42.8	20%	0.201	24%	0.235	C	C	.	.	S	Bend	trans	-82.9	147.2	176.1	-73.4	-67.6	170.1	0	0	111.7	S110 H116 N117	S110-E112 PolarHBondContact OG-N 2.78Å; S110-E112 VanDerWaalsContact OG-N 3.12Å; E112-H116 HydrophobicContact CB-CB 4.05Å; E112-H116 HydrophobicContact CG-CB 4.45Å; E112-H116 IonicContact OE2-CD2 3.34Å; E112-H116 IonicContact OE2-CG 3.94Å; E112-N117 PolarHBondContact O-ND2 2.91Å
113	S	96	Very high	95.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.			trans	-62.2	160.1	173.4	69.6	0	0	0	0	112	A115 H116 N117 S225	S113-A115 PolarHBondContact O-N 3Å; S113-A115 VanDerWaalsContact O-N 3.11Å; S113-H116 WeakPolarHBondContact O-CA 3.31Å; S113-H116 PolarHBondContact O-N 3.04Å; S113-H116 PolarHBondContact OG-CD2 3.39Å; S113-N117 PolarHBondContact O-N 2.83Å; S113-N117 PolarHBondContact O-ND2 2.89Å; S113-S225 VanDerWaalsContact CB-CB 3.49Å; S113-S225 VanDerWaalsContact OG-CB 3.28Å; S113-S225 WeakPolarHBondContact OG-CB 3.45Å; S113-S225 PolarHBondContact OG-OG 3.2Å
114	P	96.6	Very high	95.9	Very high	29 Å²	29	33.8 Å²	33.8	19%	0.188	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56	-34.8	-179.9	-28.5	36.7	0	0	0	114.1	H116 N117 D338 K339	P114-H116 PolarHBondContact O-N 3.32Å; P114-N117 PolarHBondContact O-N 3.2Å; P114-D338 VanDerWaalsContact CA-OD2 3.31Å; P114-D338 WeakPolarHBondContact CA-OD2 3.45Å; P114-D338 WeakPolarHBondContact CB-OD2 3.49Å; P114-D338 WeakPolarHBondContact CG-O 3.18Å; P114-K339 HydrophobicContact CB-CG 4.26Å
115	A	94.3	Very high	96	Very high	79 Å²	79	38.7 Å²	38.7	65%	0.653	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-63.4	-12.3	175.8	0	0	0	0	0	114.1	S113	S113-A115 PolarHBondContact O-N 3Å; S113-A115 VanDerWaalsContact O-N 3.11Å
116	H	94.8	Very high	96	Very high	61 Å²	61	39.7 Å²	39.7	28%	0.282	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-119.8	-0.3	-178	-64.4	-33.9	0	0	0	113.3	E112 S113 P114 N224	E112-H116 HydrophobicContact CB-CB 4.05Å; E112-H116 HydrophobicContact CG-CB 4.45Å; E112-H116 IonicContact OE2-CD2 3.34Å; E112-H116 IonicContact OE2-CG 3.94Å; S113-H116 WeakPolarHBondContact O-CA 3.31Å; S113-H116 PolarHBondContact O-N 3.04Å; S113-H116 PolarHBondContact OG-CD2 3.39Å; P114-H116 PolarHBondContact O-N 3.32Å; H116-N224 PolarHBondContact CD2-ND2 2.94Å; H116-N224 PolarHBondContact NE2-ND2 3.3Å
117	N	95.8	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-84.6	-8.1	178.7	-77.2	-33.9	0	0	0	114.4	N84 V88 W108 S110 E112 S113 P114 L120 D338	N84-N117 WeakPolarHBondContact ND2-CA 3.42Å; N84-N117 WeakPolarHBondContact ND2-CB 2.97Å; N84-N117 PolarHBondContact ND2-O 2.98Å; N84-N117 PolarHBondContact ND2-OD1 3.3Å; N84-N117 VanDerWaalsContact ND2-OD1 3.08Å; V88-N117 WeakPolarHBondContact CG2-O 3.46Å; W108-N117 HydrophobicContact CZ2-CB 4.43Å; S110-N117 WeakPolarHBondContact CB-OD1 3.28Å; S110-N117 PolarHBondContact OG-OD1 3.08Å; E112-N117 PolarHBondContact O-ND2 2.91Å; S113-N117 PolarHBondContact O-N 2.83Å; S113-N117 PolarHBondContact O-ND2 2.89Å; P114-N117 PolarHBondContact O-N 3.2Å; N117-L120 HydrophobicContact CB-CD1 4.13Å; N117-L120 HydrophobicContact CB-CD2 4.46Å; N117-L120 HydrophobicContact CB-CG 4.42Å; N117-L120 WeakPolarHBondContact O-CD2 3.24Å; N117-D338 WeakPolarHBondContact CB-OD2 3.29Å; N117-D338 PolarHBondContact ND2-OD1 3.1Å; N117-D338 PolarHBondContact ND2-OD2 3.49Å
118	G	94.7	Very high	96	Very high	40 Å²	40	40 Å²	40	41%	0.412	23%	0.225	S	C	.	.			trans	71.3	-158.2	179.1	0	0	0	0	0	113	L120	G118-L120 PolarHBondContact O-N 3.42Å
119	N	94.3	Very high	95.9	Very high	93 Å²	93	40 Å²	40	50%	0.497	23%	0.225	S	C	.	.			trans	-85.2	108	178.6	179.6	3.2	0	0	0	110.7	K121	N119-K121 VanDerWaalsContact OD1-CB 3.3Å; N119-K121 WeakPolarHBondContact OD1-CB 3.45Å; N119-K121 WeakPolarHBondContact OD1-CG 3.19Å; N119-K121 PolarHBondContact OD1-N 3.44Å
120	L	96.6	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.			trans	-92.5	-6	179.8	-58.7	-178.7	0	0	0	113.7	N84 W108 N117 G118 K122 F123 L334 E335 D338	N84-L120 WeakPolarHBondContact OD1-CD2 3.28Å; W108-L120 HydrophobicContact CH2-CD1 4.46Å; W108-L120 HydrophobicContact CZ2-CD1 3.81Å; W108-L120 HydrophobicContact CZ2-CD2 4.24Å; N117-L120 HydrophobicContact CB-CD1 4.13Å; N117-L120 HydrophobicContact CB-CD2 4.46Å; N117-L120 HydrophobicContact CB-CG 4.42Å; N117-L120 WeakPolarHBondContact O-CD2 3.24Å; G118-L120 PolarHBondContact O-N 3.42Å; L120-K122 PolarHBondContact O-N 3.03Å; L120-F123 HydrophobicContact CB-CD2 4.44Å; L120-F123 HydrophobicContact CD2-CD2 3.85Å; L120-F123 HydrophobicContact CD2-CE2 4Å; L120-F123 WeakPolarHBondContact O-CB 3.49Å; L120-F123 PolarHBondContact O-N 3.42Å; L120-L334 HydrophobicContact CB-CG 4.5Å; L120-L334 HydrophobicContact CD1-CG 4.25Å; L120-E335 HydrophobicContact CB-CB 3.94Å; L120-E335 HydrophobicContact CB-CG 4.34Å; L120-D338 HydrophobicContact CD1-CB 3.61Å; L120-D338 WeakPolarHBondContact CD1-OD2 3.5Å
121	K	95.7	Very high	95.8	Very high	136 Å²	136	40 Å²	40	59%	0.591	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-57.8	-34.1	-179.4	-63.1	-173.1	-179.9	-172.8	0	112.8	N119 F123 A124 E335	N119-K121 VanDerWaalsContact OD1-CB 3.3Å; N119-K121 WeakPolarHBondContact OD1-CB 3.45Å; N119-K121 WeakPolarHBondContact OD1-CG 3.19Å; N119-K121 PolarHBondContact OD1-N 3.44Å; K121-F123 PolarHBondContact O-N 3.2Å; K121-F123 VanDerWaalsContact O-N 3.09Å; K121-A124 WeakPolarHBondContact O-CB 3.34Å; K121-A124 PolarHBondContact O-N 3.05Å; K121-A124 VanDerWaalsContact O-N 3.14Å; K121-E335 WeakPolarHBondContact CE-OE2 3.44Å; K121-E335 HydrophobicContact CG-CB 4.26Å; K121-E335 WeakPolarHBondContact CG-OE2 3.36Å
122	K	93.7	Very high	95.9	Very high	119 Å²	119	39 Å²	39	52%	0.517	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-64.9	-9.1	177	68.7	-179.2	-174.1	173.5	0	114.1	L120	L120-K122 PolarHBondContact O-N 3.03Å
123	F	95.6	Very high	95.9	Very high	11 Å²	11	37.3 Å²	37.3	5%	0.048	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-106.6	10.9	178.2	-55.9	-52.1	0	0	0	113.5	L87 L94 L120 K121 N125 I126 F127 L334	L87-F123 HydrophobicContact CB-CZ 3.85Å; L87-F123 HydrophobicContact CD1-CE1 4.32Å; L87-F123 HydrophobicContact CD1-CZ 4.04Å; L87-F123 HydrophobicContact CG-CZ 4.47Å; L94-F123 HydrophobicContact CD1-CD1 4.1Å; L94-F123 HydrophobicContact CD1-CE1 4.18Å; L120-F123 HydrophobicContact CB-CD2 4.44Å; L120-F123 HydrophobicContact CD2-CD2 3.85Å; L120-F123 HydrophobicContact CD2-CE2 4Å; L120-F123 WeakPolarHBondContact O-CB 3.49Å; L120-F123 PolarHBondContact O-N 3.42Å; K121-F123 PolarHBondContact O-N 3.2Å; K121-F123 VanDerWaalsContact O-N 3.09Å; F123-N125 PolarHBondContact O-N 2.83Å; F123-I126 HydrophobicContact CD1-CD1 4.23Å; F123-I126 WeakPolarHBondContact O-CB 3.49Å; F123-I126 PolarHBondContact O-N 3.24Å; F123-F127 HydrophobicContact CB-CD2 3.99Å; F123-F127 HydrophobicContact CB-CE2 3.73Å; F123-F127 HydrophobicContact CD1-CE2 4.05Å; F123-F127 HydrophobicContact CD2-CE2 4.42Å; F123-F127 AromaticContact CG-CE2 3.83Å; F123-F127 HydrophobicContact CG-CE2 3.83Å; F123-L334 HydrophobicContact CB-CD2 4.06Å
124	A	96	Very high	95.9	Very high	40 Å²	40	37.5 Å²	37.5	33%	0.331	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	133.5	172.1	0	0	0	0	0	111	K121 I126 S332	K121-A124 WeakPolarHBondContact O-CB 3.34Å; K121-A124 PolarHBondContact O-N 3.05Å; K121-A124 VanDerWaalsContact O-N 3.14Å; A124-I126 PolarHBondContact O-N 3.34Å; A124-S332 WeakPolarHBondContact CA-O 3.41Å; A124-S332 WeakPolarHBondContact CB-O 3.43Å
125	N	96.1	Very high	95.9	Very high	111 Å²	111	41.5 Å²	41.5	59%	0.594	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	14.3	178.7	-54.8	-59.9	0	0	0	116.2	F123 V330 Y331 S332	F123-N125 PolarHBondContact O-N 2.83Å; N125-V330 VanDerWaalsContact C-CG1 3.45Å; N125-V330 VanDerWaalsContact CA-CG1 3.47Å; N125-V330 HydrophobicContact CB-CG1 4.24Å; N125-V330 WeakPolarHBondContact O-CG1 3.49Å; N125-Y331 PolarHBondContact N-O 2.99Å; N125-S332 VanDerWaalsContact OD1-CA 3.24Å; N125-S332 WeakPolarHBondContact OD1-CA 3.44Å; N125-S332 WeakPolarHBondContact OD1-CB 3.29Å
126	I	95.6	Very high	95.9	Very high	38 Å²	38	40.6 Å²	40.6	20%	0.195	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-49.8	-178.2	-61.9	-170.5	0	0	0	112.3	L94 R100 W106 F123 A124	L94-I126 HydrophobicContact CD1-CD1 3.57Å; L94-I126 HydrophobicContact CD1-CG2 3.85Å; R100-I126 PolarHBondContact NH1-O 3.47Å; W106-I126 HydrophobicContact CE3-CG2 3.71Å; W106-I126 HydrophobicContact CZ3-CG2 4Å; F123-I126 HydrophobicContact CD1-CD1 4.23Å; F123-I126 WeakPolarHBondContact O-CB 3.49Å; F123-I126 PolarHBondContact O-N 3.24Å; A124-I126 PolarHBondContact O-N 3.34Å
127	F	97.3	Very high	96	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.199	C	C	.	.			trans	-95.3	145	-169.3	-64	-74.7	0	0	0	112.1	F82 L87 L94 W106 W108 F123 V330 Y331 L334	F82-F127 HydrophobicContact CB-CE1 3.91Å; F82-F127 HydrophobicContact CB-CZ 4.19Å; F82-F127 AromaticContact CD2-CE1 3.68Å; F82-F127 HydrophobicContact CD2-CE1 3.68Å; F82-F127 HydrophobicContact CE2-CE1 4.46Å; F82-F127 AromaticContact CG-CE1 3.94Å; F82-F127 HydrophobicContact CG-CE1 3.94Å; F82-F127 HydrophobicContact CG-CZ 4.44Å; L87-F127 HydrophobicContact CD1-CZ 3.85Å; L94-F127 HydrophobicContact CD2-CE1 4.34Å; L94-F127 HydrophobicContact CD2-CZ 3.99Å; W106-F127 HydrophobicContact CB-CD1 3.99Å; W106-F127 HydrophobicContact CB-CE1 4.49Å; W108-F127 HydrophobicContact CB-CB 4.12Å; W108-F127 HydrophobicContact CB-CD1 3.8Å; W108-F127 HydrophobicContact CB-CD2 3.79Å; W108-F127 HydrophobicContact CB-CE1 4.08Å; W108-F127 HydrophobicContact CB-CE2 4.04Å; W108-F127 HydrophobicContact CB-CG 3.64Å; W108-F127 HydrophobicContact CB-CZ 4.18Å; W108-F127 AromaticContact CD1-CE2 3.86Å; W108-F127 HydrophobicContact CG-CD2 4.37Å; W108-F127 HydrophobicContact CG-CE2 4.33Å; F123-F127 HydrophobicContact CB-CD2 3.99Å; F123-F127 HydrophobicContact CB-CE2 3.73Å; F123-F127 HydrophobicContact CD1-CE2 4.05Å; F123-F127 HydrophobicContact CD2-CE2 4.42Å; F123-F127 AromaticContact CG-CE2 3.83Å; F123-F127 HydrophobicContact CG-CE2 3.83Å; F127-V330 WeakPolarHBondContact O-CA 2.98Å; F127-Y331 PolarHBondContact O-N 2.98Å; F127-L334 HydrophobicContact CD2-CD2 3.82Å; F127-L334 HydrophobicContact CE2-CD2 4.28Å
128	N	96.8	Very high	96	Very high	16 Å²	16	39.2 Å²	39.2	9%	0.086	20%	0.204	C	C	.	.	S	Bend	trans	-101.8	-24	177.5	-49.3	82	0	0	0	111.9	R100 R105 W106 K329	R100-N128 PolarHBondContact NH2-OD1 2.86Å; R105-N128 HydrophobicContact CB-CB 4.3Å; W106-N128 PolarHBondContact N-OD1 3.3Å; W106-N128 PolarHBondContact O-N 3.27Å; N128-K329 VanDerWaalsContact CA-O 3.31Å; N128-K329 WeakPolarHBondContact CA-O 3.47Å; N128-K329 WeakPolarHBondContact CB-O 3.35Å; N128-K329 PolarHBondContact ND2-O 3.11Å
129	M	95.8	Very high	96	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.1	-171.4	-64	174.4	57.4	0	0	110.4	V79 R105 W106 A107 W108 D138 V139 I318 L325	V79-M129 HydrophobicContact CG1-SD 4.36Å; V79-M129 HydrophobicContact CG2-SD 4.44Å; R105-M129 HydrophobicContact CB-SD 3.9Å; R105-M129 HydrophobicContact CG-SD 4.48Å; W106-M129 PolarHBondContact O-N 3.44Å; A107-M129 WeakPolarHBondContact CA-O 3.45Å; A107-M129 HydrophobicContact CB-CB 3.84Å; W108-M129 PolarHBondContact N-O 2.01Å; M129-D138 VanDerWaalsContact CA-OD2 3.3Å; M129-D138 WeakPolarHBondContact CA-OD2 3.33Å; M129-D138 HydrophobicContact CB-CB 4.38Å; M129-V139 HydrophobicContact CE-CG2 3.82Å; M129-I318 HydrophobicContact CE-CG2 3.9Å; M129-L325 HydrophobicContact CE-CD1 3.2Å; M129-L325 HydrophobicContact CG-CD1 4.25Å; M129-L325 HydrophobicContact SD-CD1 3.92Å
130	T	97.1	Very high	96.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.2	170.2	50.7	0	0	0	0	109.9	W108 D138 V139 Y331 L334 W337	W108-T130 HydrophobicContact CE3-CG2 4.26Å; W108-T130 CarbonylContact O-C 3.6Å; T130-D138 PolarHBondContact N-OD2 3.43Å; T130-D138 WeakPolarHBondContact O-CB 3.46Å; T130-D138 PolarHBondContact O-N 2.91Å; T130-D138 VanDerWaalsContact O-N 3.13Å; T130-D138 PolarHBondContact OG1-N 3.25Å; T130-D138 VanDerWaalsContact OG1-N 3.13Å; T130-D138 PolarHBondContact OG1-OD2 3.32Å; T130-V139 PolarHBondContact O-N 3.25Å; T130-Y331 HydrophobicContact CG2-CD1 4.26Å; T130-Y331 HydrophobicContact CG2-CD2 4.18Å; T130-Y331 HydrophobicContact CG2-CE1 3.75Å; T130-Y331 HydrophobicContact CG2-CE2 3.67Å; T130-Y331 HydrophobicContact CG2-CG 4.45Å; T130-Y331 VanDerWaalsContact CG2-CZ 3.41Å; T130-Y331 PolarHBondContact OG1-OH 2.93Å; T130-L334 HydrophobicContact CG2-CD1 3.81Å; T130-W337 HydrophobicContact CG2-CD2 3.93Å; T130-W337 HydrophobicContact CG2-CE3 3.72Å; T130-W337 HydrophobicContact CG2-CH2 3.78Å; T130-W337 HydrophobicContact CG2-CZ2 3.96Å; T130-W337 HydrophobicContact CG2-CZ3 3.66Å; T130-W337 WeakPolarHBondContact OG1-CZ2 3.32Å
131	I	97.4	Very high	95.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	110.1	175.5	-49.7	-176	0	0	0	107.3	V81 A107 W108 M109 S110 V139 I141 I318	V81-I131 HydrophobicContact CG1-CD1 4.05Å; V81-I131 HydrophobicContact CG2-CD1 4.23Å; A107-I131 HydrophobicContact CB-CD1 3.73Å; A107-I131 HydrophobicContact CB-CG1 4.04Å; W108-I131 PolarHBondContact O-N 3.26Å; M109-I131 CarbonylContact C-O 3.58Å; M109-I131 VanDerWaalsContact CA-O 3.31Å; M109-I131 WeakPolarHBondContact CA-O 3.46Å; M109-I131 HydrophobicContact CB-CB 3.95Å; M109-I131 HydrophobicContact CB-CD1 4.47Å; M109-I131 HydrophobicContact CB-CG2 4.48Å; M109-I131 HydrophobicContact CG-CB 3.9Å; M109-I131 HydrophobicContact CG-CG2 3.92Å; M109-I131 HydrophobicContact SD-CG2 4.28Å; S110-I131 PolarHBondContact N-O 3Å; I131-V139 WeakPolarHBondContact CA-O 3.27Å; I131-V139 HydrophobicContact CB-CB 4.43Å; I131-V139 HydrophobicContact CG1-CB 4.09Å; I131-V139 HydrophobicContact CG1-CG2 4.34Å; I131-V139 HydrophobicContact CG2-CB 4.15Å; I131-V139 HydrophobicContact CG2-CG1 4.3Å; I131-I141 HydrophobicContact CG2-CD1 3.18Å; I131-I141 HydrophobicContact CG2-CG1 3.86Å; I131-I318 HydrophobicContact CD1-CD1 3.52Å; I131-I318 HydrophobicContact CD1-CG1 3.89Å
132	S	97.3	Very high	95.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	171.8	-171.6	-167	0	0	0	0	113.1	S110 R134 V139 T140 I141	S110-S132 VanDerWaalsContact O-CA 3.29Å; S110-S132 WeakPolarHBondContact O-CA 3.44Å; S110-S132 WeakPolarHBondContact O-CB 2.96Å; S110-S132 PolarHBondContact O-OG 2.74Å; S132-R134 PolarHBondContact O-N 2.69Å; S132-V139 PolarHBondContact N-O 2.91Å; S132-V139 VanDerWaalsContact N-O 3.13Å; S132-T140 CarbonylContact O-C 3.59Å; S132-T140 VanDerWaalsContact O-CA 3.3Å; S132-T140 WeakPolarHBondContact O-CA 3.31Å; S132-I141 PolarHBondContact O-N 2.79Å
133	Y	96.6	Very high	96	Very high	8 Å²	8	26 Å²	26	3%	0.031	14%	0.138	C	C	.	.	S	Bend	trans	-69	-20	172.1	65.8	-97.5	0	0	0	113.1	L111 I141 K228 D229 Y230	L111-Y133 WeakPolarHBondContact O-CD1 3.31Å; Y133-I141 VanDerWaalsContact CA-O 3.25Å; Y133-I141 WeakPolarHBondContact CA-O 3.47Å; Y133-K228 VanDerWaalsContact CE2-O 3.31Å; Y133-K228 WeakPolarHBondContact CE2-O 3.39Å; Y133-D229 HydrophobicContact CD2-CB 4.22Å; Y133-D229 WeakPolarHBondContact CD2-O 3.06Å; Y133-D229 HydrophobicContact CE2-CB 4.3Å; Y133-Y230 AromaticContact CD1-CD2 3.68Å; Y133-Y230 HydrophobicContact CD1-CD2 3.68Å; Y133-Y230 AromaticContact CD1-CE2 3.96Å; Y133-Y230 HydrophobicContact CD1-CE2 3.96Å; Y133-Y230 AromaticContact CD2-CD2 3.88Å; Y133-Y230 HydrophobicContact CD2-CD2 3.88Å; Y133-Y230 AromaticContact CE1-CD2 3.36Å; Y133-Y230 HydrophobicContact CE1-CD2 3.36Å; Y133-Y230 AromaticContact CE1-CE2 3.74Å; Y133-Y230 HydrophobicContact CE1-CE2 3.74Å; Y133-Y230 HydrophobicContact CE1-CG 4.34Å; Y133-Y230 VanDerWaalsContact CE2-CA 3.5Å; Y133-Y230 AromaticContact CE2-CD2 3.59Å; Y133-Y230 HydrophobicContact CE2-CD2 3.59Å; Y133-Y230 HydrophobicContact CE2-CG 4.04Å; Y133-Y230 AromaticContact CG-CD2 3.94Å; Y133-Y230 HydrophobicContact CG-CD2 3.94Å; Y133-Y230 AromaticContact CZ-CD2 3.31Å; Y133-Y230 AromaticContact CZ-CG 3.89Å
134	R	96.6	Very high	96.1	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.011	14%	0.137	C	C	.	.	S	Bend	trans	-62.8	139	179.8	-71.8	179.3	57.1	154.6	0.8	111.9	S132 D136 A137 T140 W337 D338 K340	S132-R134 PolarHBondContact O-N 2.69Å; R134-D136 WeakPolarHBondContact CB-OD1 3.43Å; R134-D136 IonicContact CZ-OD1 3.83Å; R134-D136 VanDerWaalsContact CZ-OD1 3.29Å; R134-D136 IonicContact CZ-OD2 3.16Å; R134-D136 IonicContact NE-OD1 2.73Å; R134-D136 PolarHBondContact NE-OD1 3.01Å; R134-D136 IonicContact NE-OD2 3.46Å; R134-D136 VanDerWaalsContact NH2-CG 3.31Å; R134-D136 IonicContact NH2-OD1 2.79Å; R134-D136 PolarHBondContact NH2-OD1 2.86Å; R134-D136 IonicContact NH2-OD2 3.95Å; R134-D136 PolarHBondContact NH2-OD2 3.08Å; R134-D136 PolarHBondContact O-N 2.93Å; R134-A137 HydrophobicContact CB-CB 4.5Å; R134-A137 WeakPolarHBondContact O-CB 3.41Å; R134-A137 PolarHBondContact O-N 2.97Å; R134-T140 WeakPolarHBondContact O-CG2 3.24Å; R134-T140 PolarHBondContact O-OG1 3.38Å; R134-W337 PolarHBondContact NH1-O 3.44Å; R134-D338 PolarHBondContact NH1-O 2.92Å; R134-D338 VanDerWaalsContact NH1-O 3.08Å; R134-K340 PolarHBondContact NH1-O 3.24Å; R134-K340 PolarHBondContact NH2-O 2.77Å
135	R	95.7	Very high	96	Very high	113 Å²	113	26.5 Å²	26.5	43%	0.426	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.3	-179.9	-65.6	178.2	-70.4	160.8	-7.3	113	D229 D255	R135-D229 IonicContact CZ-OD1 3.03Å; R135-D229 PolarHBondContact N-OD2 2.69Å; R135-D229 VanDerWaalsContact NE-CG 3.32Å; R135-D229 IonicContact NE-OD1 3.24Å; R135-D229 PolarHBondContact NE-OD1 2.85Å; R135-D229 IonicContact NE-OD2 2.64Å; R135-D229 IonicContact NH2-OD1 3.05Å; R135-D229 PolarHBondContact NH2-OD1 3.05Å; R135-D255 IonicContact NH2-OD1 3.3Å; R135-D255 PolarHBondContact NH2-OD1 2.6Å
136	D	95.4	Very high	95.9	Very high	60 Å²	60	22.7 Å²	22.7	32%	0.321	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	16.6	175.9	62.6	2.5	0	0	0	113.5	R134 K228	R134-D136 WeakPolarHBondContact CB-OD1 3.43Å; R134-D136 IonicContact CZ-OD1 3.83Å; R134-D136 VanDerWaalsContact CZ-OD1 3.29Å; R134-D136 IonicContact CZ-OD2 3.16Å; R134-D136 IonicContact NE-OD1 2.73Å; R134-D136 PolarHBondContact NE-OD1 3.01Å; R134-D136 IonicContact NE-OD2 3.46Å; R134-D136 VanDerWaalsContact NH2-CG 3.31Å; R134-D136 IonicContact NH2-OD1 2.79Å; R134-D136 PolarHBondContact NH2-OD1 2.86Å; R134-D136 IonicContact NH2-OD2 3.95Å; R134-D136 PolarHBondContact NH2-OD2 3.08Å; R134-D136 PolarHBondContact O-N 2.93Å; D136-K228 IonicContact OD2-NZ 2.8Å; D136-K228 PolarHBondContact OD2-NZ 3.27Å
137	A	96.1	Very high	95.7	Very high	13 Å²	13	23.1 Å²	23.1	11%	0.107	12%	0.116	C	C	.	.	S	Bend	trans	-74.6	157.4	167.1	0	0	0	0	0	111.4	R134 V139 W337	R134-A137 HydrophobicContact CB-CB 4.5Å; R134-A137 WeakPolarHBondContact O-CB 3.41Å; R134-A137 PolarHBondContact O-N 2.97Å; A137-V139 PolarHBondContact O-N 2.98Å; A137-W337 HydrophobicContact CB-CH2 4.28Å; A137-W337 HydrophobicContact CB-CZ2 4.01Å
138	D	95.6	Very high	95.2	Very high	19 Å²	19	26.5 Å²	26.5	10%	0.102	14%	0.138	C	C	.	.	S	Bend	trans	-62.4	-38.1	174.1	-65.1	-68.9	0	0	0	111.3	M129 T130 Q321 L325 K329 Y331	M129-D138 VanDerWaalsContact CA-OD2 3.3Å; M129-D138 WeakPolarHBondContact CA-OD2 3.33Å; M129-D138 HydrophobicContact CB-CB 4.38Å; T130-D138 PolarHBondContact N-OD2 3.43Å; T130-D138 WeakPolarHBondContact O-CB 3.46Å; T130-D138 PolarHBondContact O-N 2.91Å; T130-D138 VanDerWaalsContact O-N 3.13Å; T130-D138 PolarHBondContact OG1-N 3.25Å; T130-D138 VanDerWaalsContact OG1-N 3.13Å; T130-D138 PolarHBondContact OG1-OD2 3.32Å; D138-Q321 PolarHBondContact O-OE1 3.3Å; D138-L325 HydrophobicContact CB-CD1 4.28Å; D138-L325 HydrophobicContact CB-CD2 3.64Å; D138-K329 VanDerWaalsContact CG-NZ 3.34Å; D138-K329 IonicContact OD1-NZ 2.9Å; D138-K329 PolarHBondContact OD1-NZ 3.12Å; D138-K329 IonicContact OD2-NZ 2.75Å; D138-K329 PolarHBondContact OD2-NZ 3.43Å; D138-Y331 VanDerWaalsContact OD2-CE2 3.24Å; D138-Y331 WeakPolarHBondContact OD2-CE2 3.1Å; D138-Y331 PolarHBondContact OD2-OH 3.39Å
139	V	95.2	Very high	94.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	105.3	172.3	-172.7	0	0	0	0	109.9	M129 T130 I131 S132 A137 I318 L325	M129-V139 HydrophobicContact CE-CG2 3.82Å; T130-V139 PolarHBondContact O-N 3.25Å; I131-V139 WeakPolarHBondContact CA-O 3.27Å; I131-V139 HydrophobicContact CB-CB 4.43Å; I131-V139 HydrophobicContact CG1-CB 4.09Å; I131-V139 HydrophobicContact CG1-CG2 4.34Å; I131-V139 HydrophobicContact CG2-CB 4.15Å; I131-V139 HydrophobicContact CG2-CG1 4.3Å; S132-V139 PolarHBondContact N-O 2.91Å; S132-V139 VanDerWaalsContact N-O 3.13Å; A137-V139 PolarHBondContact O-N 2.98Å; V139-I318 HydrophobicContact CG1-CG1 4.25Å; V139-I318 HydrophobicContact CG2-CG1 4.19Å; V139-L325 HydrophobicContact CG2-CD1 4.44Å
140	T	95.3	Very high	93.2	Very high	36 Å²	36	35.9 Å²	35.9	22%	0.221	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.9	178.7	-57.6	0	0	0	0	111.5	S132 R134	S132-T140 CarbonylContact O-C 3.59Å; S132-T140 VanDerWaalsContact O-CA 3.3Å; S132-T140 WeakPolarHBondContact O-CA 3.31Å; R134-T140 WeakPolarHBondContact O-CG2 3.24Å; R134-T140 PolarHBondContact O-OG1 3.38Å
141	I	94.3	Very high	91.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.211	C	C	.	.			trans	-119.2	91	171.6	-55.3	167.9	0	0	0	107.8	L111 I131 S132 Y133	L111-I141 HydrophobicContact CD1-CG2 4.25Å; L111-I141 HydrophobicContact CD2-CB 3.99Å; L111-I141 HydrophobicContact CD2-CG2 4.27Å; I131-I141 HydrophobicContact CG2-CD1 3.18Å; I131-I141 HydrophobicContact CG2-CG1 3.86Å; S132-I141 PolarHBondContact O-N 2.79Å; Y133-I141 VanDerWaalsContact CA-O 3.25Å; Y133-I141 WeakPolarHBondContact CA-O 3.47Å
142	P	94.8	Very high	89.3	Confident	39 Å²	39	49.2 Å²	49.2	25%	0.253	25%	0.251	S	S	.	.			trans	-68.9	159.6	174	31.7	-33.1	0	0	0	110	G144 H308	P142-G144 PolarHBondContact O-N 3.24Å; P142-H308 WeakPolarHBondContact O-CB 3.43Å; P142-H308 PolarHBondContact O-CD2 2.95Å
143	Y	96.7	Very high	87.1	Confident	35 Å²	35	52.4 Å²	52.4	14%	0.137	27%	0.273	C	S	.	.	S	Bend	trans	-71.9	-21.7	173.7	-80.2	-100.9	0	0	0	113	L111 Y230 T232 E233 H308	L111-Y143 HydrophobicContact CB-CE2 4.16Å; L111-Y143 PolarHBondContact O-OH 3.48Å; Y143-Y230 HydrophobicContact CE2-CE2 4.05Å; Y143-T232 HydrophobicContact CD2-CG2 4.07Å; Y143-T232 HydrophobicContact CE1-CG2 4.33Å; Y143-T232 HydrophobicContact CE2-CG2 3.8Å; Y143-T232 VanDerWaalsContact CG-CA 3.48Å; Y143-T232 HydrophobicContact CG-CG2 4.46Å; Y143-E233 HydrophobicContact CD1-CB 4.48Å; Y143-H308 PolarHBondContact O-N 3.39Å
144	G	96.3	Very high	84.6	Confident	3 Å²	3	59.3 Å²	59.3	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	167.6	174.4	0	0	0	0	0	112.2	P142 W236 K306	P142-G144 PolarHBondContact O-N 3.24Å; G144-W236 VanDerWaalsContact O-CE2 3.31Å; G144-W236 WeakPolarHBondContact O-CZ2 3.43Å; G144-K306 CarbonylContact C-O 3.56Å; G144-K306 WeakPolarHBondContact CA-O 3.41Å
145	E	95.1	Very high	82.4	Confident	57 Å²	57	63.9 Å²	63.9	27%	0.266	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.1	179.7	63.8	-175.3	159.1	0	0	110.3	L147 K306 H308	E145-L147 HydrophobicContact CG-CD2 4.02Å; E145-L147 HydrophobicContact CG-CG 4.22Å; E145-K306 HydrophobicContact CG-CB 3.94Å; E145-K306 HydrophobicContact CG-CD 4.29Å; E145-K306 HydrophobicContact CG-CG 4.39Å; E145-K306 PolarHBondContact N-O 3.03Å; E145-K306 PolarHBondContact O-N 3.38Å; E145-K306 WeakPolarHBondContact OE1-CD 3.34Å; E145-K306 IonicContact OE1-NZ 3.77Å; E145-K306 PolarHBondContact OE1-NZ 2.64Å; E145-K306 VanDerWaalsContact OE1-NZ 3.16Å; E145-H308 IonicContact OE1-CE1 2.76Å; E145-H308 PolarHBondContact OE1-CE1 3.37Å; E145-H308 IonicContact OE1-NE2 3.23Å; E145-H308 PolarHBondContact OE1-NE2 3.43Å
146	L	93.3	Very high	80.2	Confident	31 Å²	31	64.6 Å²	64.6	16%	0.162	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.4	168.2	-65.3	-172	0	0	0	109.8	W236 P261 W297 W303 K304 V305	L146-W236 HydrophobicContact CD2-CZ3 3.96Å; L146-W236 HydrophobicContact CG-CZ3 3.99Å; L146-P261 HydrophobicContact CD1-CG 3.3Å; L146-W297 HydrophobicContact CD1-CE3 3.95Å; L146-W297 HydrophobicContact CD1-CZ3 4.16Å; L146-W297 HydrophobicContact CD2-CE3 4.13Å; L146-W297 HydrophobicContact CD2-CH2 4.1Å; L146-W297 HydrophobicContact CD2-CZ3 3.48Å; L146-W297 VanDerWaalsContact CD2-CZ3 3.48Å; L146-W303 HydrophobicContact CB-CB 4.29Å; L146-W303 HydrophobicContact CB-CD2 4.26Å; L146-W303 HydrophobicContact CB-CE3 3.92Å; L146-W303 HydrophobicContact CB-CG 4.38Å; L146-W303 HydrophobicContact CD1-CB 4.23Å; L146-W303 HydrophobicContact CD1-CG 4.27Å; L146-W303 HydrophobicContact CD2-CB 4.49Å; L146-K304 WeakPolarHBondContact CA-O 3.3Å; L146-V305 HydrophobicContact CD2-CG2 3.82Å
147	L	90.7	Very high	78.1	Confident	48 Å²	48	69 Å²	69	25%	0.251	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.5	174.4	-63.2	-173.8	0	0	0	110.4	E145 W303 K304 K306	E145-L147 HydrophobicContact CG-CD2 4.02Å; E145-L147 HydrophobicContact CG-CG 4.22Å; L147-W303 CarbonylContact O-C 3.56Å; L147-W303 WeakPolarHBondContact O-CA 3.15Å; L147-K304 HydrophobicContact CB-CG 4.01Å; L147-K304 PolarHBondContact N-O 2.73Å; L147-K304 WeakPolarHBondContact O-CG 3.23Å; L147-K304 PolarHBondContact O-N 3.45Å; L147-K306 HydrophobicContact CD1-CB 3.9Å; L147-K306 HydrophobicContact CD1-CD 3.44Å; L147-K306 VanDerWaalsContact CD1-CD 3.44Å; L147-K306 HydrophobicContact CD1-CG 4.31Å; L147-K306 HydrophobicContact CG-CB 4.07Å; L147-K306 HydrophobicContact CG-CD 4.25Å
148	P	87.6	Confident	76.3	Confident	71 Å²	71	71.2 Å²	71.2	46%	0.461	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	143.9	173.3	29.1	-31.6	0	0	0	109.5	E150 W303	P148-E150 PolarHBondContact O-N 2.82Å; P148-W303 HydrophobicContact CB-CE3 4.46Å; P148-W303 HydrophobicContact CB-CZ3 4.1Å; P148-W303 HydrophobicContact CG-CZ3 4.36Å
149	L	81.4	Confident	74.3	Confident	42 Å²	42	73.9 Å²	73.9	22%	0.22	40%	0.4	C	S	.	.			trans	-78.3	113.5	166.9	-80.1	151.8	0	0	0	107.5	T151 L155 H302 K304	L149-T151 VanDerWaalsContact C-N 3.3Å; L149-L155 HydrophobicContact CD1-CD2 4.01Å; L149-H302 HydrophobicContact CB-CB 4.21Å; L149-H302 VanDerWaalsContact CB-O 3.31Å; L149-H302 WeakPolarHBondContact CB-O 3.28Å; L149-H302 HydrophobicContact CD1-CB 4.44Å; L149-H302 PolarHBondContact N-O 3.03Å; L149-K304 HydrophobicContact CD1-CB 4.41Å; L149-K304 HydrophobicContact CD2-CB 4.07Å; L149-K304 HydrophobicContact CD2-CD 4.07Å; L149-K304 HydrophobicContact CD2-CG 4.42Å; L149-K304 HydrophobicContact CG-CB 3.97Å; L149-K304 HydrophobicContact CG-CD 4.42Å; L149-K304 HydrophobicContact CG-CG 4.32Å
150	E	68.4	Low	72.7	Confident	174 Å²	174	74.9 Å²	74.9	81%	0.813	41%	0.405	S	S	*	.	S	Bend	trans	-76.9	-16.4	-178.7	-66.1	179.8	172	0	0	113	P148	P148-E150 PolarHBondContact O-N 2.82Å
151	T	58.3	Low	71	Confident	97 Å²	97	77.8 Å²	77.8	60%	0.595	42%	0.418	S	S	*	.	S	Bend	trans	-139.1	149.4	178.4	50.5	0	0	0	0	110.6	L149 S153	L149-T151 VanDerWaalsContact C-N 3.3Å; T151-S153 PolarHBondContact O-N 2.75Å
152	E	55	Low	70.4	Confident	182 Å²	182	83.2 Å²	83.2	85%	0.85	45%	0.447	S	S	*	.			trans	-68.1	44.9	165.3	-65	-173.2	172.3	0	0	110.8	N154	E152-N154 PolarHBondContact O-N 2.77Å
153	S	50.6	Low	70.2	Confident	67 Å²	67	82.3 Å²	82.3	47%	0.469	44%	0.439	S	S	.	.			trans	-61.4	115.1	171.2	61.4	0	0	0	0	106.9	T151 L155	T151-S153 PolarHBondContact O-N 2.75Å; S153-L155 PolarHBondContact O-N 3.08Å
154	N	44.5	Very low	70.1	Confident	154 Å²	154	85.9 Å²	85.9	82%	0.824	47%	0.465	S	S	*	.			trans	-8.1	91.3	175.7	-68.1	-28.2	0	0	0	110.7	E152 V156	E152-N154 PolarHBondContact O-N 2.77Å; N154-V156 PolarHBondContact O-N 3.2Å
155	L	50.8	Low	70.1	Confident	99 Å²	99	86.7 Å²	86.7	52%	0.518	47%	0.47	S	S	.	.			trans	-51.8	105.4	169.6	-70.4	170.8	0	0	0	103.4	L149 S153 E157	L149-L155 HydrophobicContact CD1-CD2 4.01Å; S153-L155 PolarHBondContact O-N 3.08Å; L155-E157 PolarHBondContact O-N 3.39Å
156	V	49	Very low	70.2	Confident	128 Å²	128	85.4 Å²	85.4	78%	0.776	47%	0.465	S	S	*	.			trans	-59.6	103.4	167.4	176.3	0	0	0	0	101.3	N154 D158	N154-V156 PolarHBondContact O-N 3.2Å; V156-D158 PolarHBondContact O-N 3.13Å
157	E	52	Low	70.5	Confident	153 Å²	153	84 Å²	84	72%	0.715	46%	0.458	S	S	*	.			trans	-58.9	102.6	179.3	-164.9	174.4	-159.5	0	0	103.1	L155 S159	L155-E157 PolarHBondContact O-N 3.39Å; E157-S159 PolarHBondContact O-N 3.26Å
158	D	56.9	Low	70.9	Confident	58 Å²	58	81.7 Å²	81.7	31%	0.31	45%	0.446	S	S	.	.			trans	-57.1	97	172.7	-94.2	-24.6	0	0	0	102.9	V156 H160 K298	V156-D158 PolarHBondContact O-N 3.13Å; D158-H160 PolarHBondContact O-CD2 2.89Å; D158-H160 PolarHBondContact O-N 3.38Å; D158-K298 IonicContact OD2-NZ 3.55Å; D158-K298 PolarHBondContact OD2-NZ 3.19Å
159	S	53.3	Low	71.4	Confident	75 Å²	75	78.5 Å²	78.5	52%	0.524	42%	0.424	S	S	.	.			trans	-72.7	87.4	-174.9	67.9	0	0	0	0	105.6	E157 I161	E157-S159 PolarHBondContact O-N 3.26Å; S159-I161 PolarHBondContact O-N 2.98Å
160	H	62.2	Low	72.1	Confident	23 Å²	23	78.1 Å²	78.1	11%	0.106	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	12.2	172	-54.5	-66.3	0	0	0	111.5	D158 G243 Y291 F295	D158-H160 PolarHBondContact O-CD2 2.89Å; D158-H160 PolarHBondContact O-N 3.38Å; H160-G243 PolarHBondContact ND1-O 2.82Å; H160-Y291 HydrophobicContact CB-CE1 4.4Å; H160-F295 AromaticContact CE1-CD1 3.35Å; H160-F295 WeakPolarHBondContact CE1-CD1 3.36Å; H160-F295 AromaticContact CE1-CD2 3.78Å; H160-F295 AromaticContact CE1-CE1 3.39Å; H160-F295 WeakPolarHBondContact CE1-CE1 3.15Å; H160-F295 AromaticContact CE1-CE2 3.82Å; H160-F295 AromaticContact CE1-CG 3.54Å; H160-F295 AromaticContact CE1-CZ 3.62Å; H160-F295 AromaticContact ND1-CE2 3.93Å; H160-F295 AromaticContact ND1-CZ 3.83Å; H160-F295 AromaticContact NE2-CD1 3.69Å; H160-F295 AromaticContact NE2-CD2 3.79Å; H160-F295 AromaticContact NE2-CG 3.46Å; H160-F295 WeakPolarHBondContact NE2-CG 3.48Å
161	I	61	Low	73.4	Confident	97 Å²	97	70.1 Å²	70.1	50%	0.497	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-20	-166.8	-58.7	177.3	0	0	0	111.1	S159	S159-I161 PolarHBondContact O-N 2.98Å
162	N	80.2	Confident	74.7	Confident	114 Å²	114	71 Å²	71	61%	0.61	40%	0.397	S	S	*	.			trans	-122.5	48.5	-173.2	-66.8	-23.6	0	0	0	113.9	T164	N162-T164 PolarHBondContact O-N 2.97Å
163	K	91.1	Very high	76.3	Confident	21 Å²	21	64.8 Å²	64.8	9%	0.091	37%	0.37	C	S	.	.			trans	-74.8	122.5	172.5	-56.4	-52.3	-165.7	167.2	0	110.3	S214 R215 C216 Y217 G243 Y291	K163-S214 VanDerWaalsContact CD-O 3.27Å; K163-S214 WeakPolarHBondContact CD-O 3.44Å; K163-S214 WeakPolarHBondContact CE-O 3.4Å; K163-S214 PolarHBondContact NZ-O 3.39Å; K163-R215 CarbonylContact C-O 3.21Å; K163-R215 WeakPolarHBondContact CA-O 3.31Å; K163-C216 WeakPolarHBondContact CD-O 3.2Å; K163-C216 VanDerWaalsContact CE-O 3.3Å; K163-C216 WeakPolarHBondContact CE-O 3.49Å; K163-C216 PolarHBondContact NZ-O 3.01Å; K163-Y217 HydrophobicContact CB-CD1 4.13Å; K163-Y217 HydrophobicContact CB-CD2 3.45Å; K163-Y217 VanDerWaalsContact CB-CD2 3.45Å; K163-Y217 HydrophobicContact CB-CE1 3.95Å; K163-Y217 HydrophobicContact CB-CE2 3.25Å; K163-Y217 HydrophobicContact CB-CG 3.89Å; K163-Y217 HydrophobicContact CG-CD1 3.96Å; K163-Y217 HydrophobicContact CG-CD2 4.14Å; K163-Y217 HydrophobicContact CG-CE1 3.94Å; K163-Y217 HydrophobicContact CG-CE2 4.14Å; K163-Y217 HydrophobicContact CG-CG 4.05Å; K163-G243 PolarHBondContact NZ-O 2.75Å; K163-Y291 VanDerWaalsContact CE-OH 3.3Å; K163-Y291 WeakPolarHBondContact CE-OH 3.43Å
164	T	94.3	Very high	78.2	Confident	109 Å²	109	62.9 Å²	62.9	67%	0.669	35%	0.352	S	S	*	.			trans	-116.1	-16.9	-178.3	59.2	0	0	0	0	113.6	N162 R215	N162-T164 PolarHBondContact O-N 2.97Å; T164-R215 PolarHBondContact N-O 2.76Å
165	S	96.8	Very high	80.5	Confident	20 Å²	20	61.8 Å²	61.8	14%	0.14	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.6	177.7	-61.1	0	0	0	0	109.8	R215 C216 Y217	S165-R215 PolarHBondContact N-O 3.38Å; S165-C216 CarbonylContact O-C 3.58Å; S165-C216 VanDerWaalsContact O-CA 3.24Å; S165-C216 WeakPolarHBondContact O-CA 3.29Å; S165-Y217 PolarHBondContact O-N 3.49Å
166	L	97.9	Very high	82.4	Confident	31 Å²	31	61.5 Å²	61.5	16%	0.162	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-58.3	178.8	-176.9	63.5	0	0	0	110.6	V191 P192 Y217 F218 Q282 A285	L166-V191 HydrophobicContact CD2-CB 3.86Å; L166-V191 HydrophobicContact CD2-CG1 4.12Å; L166-P192 HydrophobicContact CB-CG 4.34Å; L166-P192 HydrophobicContact CD2-CG 4.32Å; L166-Y217 WeakPolarHBondContact O-CB 3.13Å; L166-F218 HydrophobicContact CD1-CD2 4.11Å; L166-F218 HydrophobicContact CD1-CE2 3.95Å; L166-F218 WeakPolarHBondContact O-CD2 3.37Å; L166-F218 PolarHBondContact O-N 3.29Å; L166-Q282 HydrophobicContact CD2-CG 3.88Å; L166-A285 HydrophobicContact CD1-CB 3.42Å; L166-A285 VanDerWaalsContact CD1-CB 3.42Å
167	V	98.8	Very high	84.5	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.9	-179.7	-172.1	0	0	0	0	110.1	V191 V193 K194 F218 L220 L281	V167-V191 HydrophobicContact CG2-CG2 4.02Å; V167-V193 HydrophobicContact CB-CB 4.46Å; V167-V193 HydrophobicContact CB-CG1 4.37Å; V167-V193 HydrophobicContact CB-CG2 4.09Å; V167-V193 HydrophobicContact CG1-CG1 4.03Å; V167-V193 HydrophobicContact CG1-CG2 4.15Å; V167-K194 PolarHBondContact O-N 2.62Å; V167-F218 WeakPolarHBondContact CA-O 3.47Å; V167-F218 HydrophobicContact CG2-CB 4.3Å; V167-F218 HydrophobicContact CG2-CD2 4.39Å; V167-L220 HydrophobicContact CG1-CD1 4.08Å; V167-L220 HydrophobicContact CG1-CD2 3.49Å; V167-L220 VanDerWaalsContact CG1-CD2 3.49Å; V167-L220 HydrophobicContact CG1-CG 3.55Å; V167-L281 HydrophobicContact CG2-CD1 3.98Å
168	C	98.4	Very high	86.5	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.6	171.3	-65.5	0	0	0	0	111.6	K194 C216 F218 Y219 L220	C168-K194 CarbonylContact C-O 3.54Å; C168-K194 VanDerWaalsContact CA-O 3.31Å; C168-K194 WeakPolarHBondContact CA-O 3.49Å; C168-C216 HydrophobicContact CB-CB 3.64Å; C168-C216 WeakPolarHBondContact CB-SG 3.13Å; C168-C216 WeakPolarHBondContact SG-CB 3.15Å; C168-C216 CovalentContact SG-SG 2.01Å; C168-C216 PolarHBondContact SG-SG 3.48Å; C168-F218 PolarHBondContact N-O 3.19Å; C168-Y219 WeakPolarHBondContact O-CA 3.34Å; C168-L220 PolarHBondContact O-N 3.06Å
169	W	98.4	Very high	88.3	Confident	3 Å²	3	58.7 Å²	58.7	1%	0.011	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	118.5	174.8	-171.9	33	0	0	0	110.9	V171 Y174 R180 Y184 V193 K194 V195 Y196 L220	W169-V171 HydrophobicContact CD2-CB 4.07Å; W169-V171 HydrophobicContact CD2-CG1 3.97Å; W169-V171 HydrophobicContact CE3-CG1 3.95Å; W169-V171 HydrophobicContact CH2-CB 4.33Å; W169-V171 HydrophobicContact CH2-CG1 4.14Å; W169-V171 HydrophobicContact CH2-CG2 4.13Å; W169-V171 HydrophobicContact CZ2-CB 3.85Å; W169-V171 HydrophobicContact CZ2-CG1 4.14Å; W169-V171 HydrophobicContact CZ2-CG2 3.7Å; W169-V171 HydrophobicContact CZ3-CG1 4.03Å; W169-Y174 AromaticContact CH2-CD2 3.83Å; W169-Y174 HydrophobicContact CH2-CD2 3.83Å; W169-Y174 HydrophobicContact CH2-CE2 4.04Å; W169-Y174 AromaticContact CZ3-CD2 4Å; W169-Y174 HydrophobicContact CZ3-CD2 4Å; W169-Y174 AromaticContact CZ3-CE2 3.99Å; W169-Y174 HydrophobicContact CZ3-CE2 3.99Å; W169-R180 HydrophobicContact CZ2-CB 4.43Å; W169-R180 HydrophobicContact CZ2-CG 4.1Å; W169-Y184 HydrophobicContact CD2-CD2 4.48Å; W169-Y184 HydrophobicContact CE3-CD1 4.16Å; W169-Y184 AromaticContact CE3-CD2 3.47Å; W169-Y184 HydrophobicContact CE3-CD2 3.47Å; W169-Y184 VanDerWaalsContact CE3-CD2 3.47Å; W169-Y184 AromaticContact CE3-CE2 3.98Å; W169-Y184 HydrophobicContact CE3-CE2 3.98Å; W169-Y184 AromaticContact CE3-CG 3.57Å; W169-Y184 HydrophobicContact CE3-CG 3.57Å; W169-Y184 HydrophobicContact CH2-CD1 4.37Å; W169-Y184 HydrophobicContact CH2-CG 4.13Å; W169-Y184 AromaticContact CZ3-CD1 3.5Å; W169-Y184 HydrophobicContact CZ3-CD1 3.5Å; W169-Y184 VanDerWaalsContact CZ3-CD1 3.5Å; W169-Y184 AromaticContact CZ3-CD2 3.68Å; W169-Y184 HydrophobicContact CZ3-CD2 3.68Å; W169-Y184 HydrophobicContact CZ3-CE1 4.11Å; W169-Y184 HydrophobicContact CZ3-CE2 4.28Å; W169-Y184 AromaticContact CZ3-CG 3.25Å; W169-Y184 HydrophobicContact CZ3-CG 3.25Å; W169-V193 HydrophobicContact CB-CG1 4.18Å; W169-K194 PolarHBondContact N-O 3.17Å; W169-V195 HydrophobicContact CE3-CG1 4.15Å; W169-V195 HydrophobicContact CE3-CG2 4.22Å; W169-V195 CarbonylContact O-C 3.6Å; W169-V195 VanDerWaalsContact O-CA 3.31Å; W169-V195 WeakPolarHBondContact O-CA 3.49Å; W169-Y196 PolarHBondContact O-N 2.79Å; W169-L220 HydrophobicContact CB-CB 3.99Å; W169-L220 HydrophobicContact CB-CD1 3.92Å; W169-L220 HydrophobicContact CB-CG 4.13Å; W169-L220 VanDerWaalsContact CD1-O 3.27Å; W169-L220 HydrophobicContact CD2-CD1 4.41Å; W169-L220 HydrophobicContact CG-CB 3.85Å; W169-L220 HydrophobicContact CG-CD1 4.02Å; W169-L220 HydrophobicContact CG-CG 4.37Å
170	V	97.4	Very high	90.4	Very high	34 Å²	34	55.7 Å²	55.7	21%	0.206	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.7	175	-176.6	0	0	0	0	107.9	Y196 L204 L209 I213 Y219	V170-Y196 CarbonylContact C-O 3.59Å; V170-Y196 WeakPolarHBondContact CA-O 3.41Å; V170-Y196 HydrophobicContact CG2-CD2 4.25Å; V170-Y196 HydrophobicContact CG2-CG 4.44Å; V170-L204 HydrophobicContact CG1-CD2 4.44Å; V170-L204 HydrophobicContact CG2-CD2 3.96Å; V170-L209 HydrophobicContact CB-CD1 4.19Å; V170-L209 HydrophobicContact CG1-CD1 3.91Å; V170-L209 HydrophobicContact CG2-CD1 3.88Å; V170-I213 HydrophobicContact CG2-CG1 4.5Å; V170-Y219 HydrophobicContact CB-CE2 4.08Å; V170-Y219 HydrophobicContact CG2-CE2 3.9Å
171	V	94.8	Very high	92	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.036	28%	0.279	C	S	.	.			trans	-137.7	126.6	-172	61.4	0	0	0	0	112.2	W169 V195 Y196 G197	W169-V171 HydrophobicContact CD2-CB 4.07Å; W169-V171 HydrophobicContact CD2-CG1 3.97Å; W169-V171 HydrophobicContact CE3-CG1 3.95Å; W169-V171 HydrophobicContact CH2-CB 4.33Å; W169-V171 HydrophobicContact CH2-CG1 4.14Å; W169-V171 HydrophobicContact CH2-CG2 4.13Å; W169-V171 HydrophobicContact CZ2-CB 3.85Å; W169-V171 HydrophobicContact CZ2-CG1 4.14Å; W169-V171 HydrophobicContact CZ2-CG2 3.7Å; W169-V171 HydrophobicContact CZ3-CG1 4.03Å; V171-V195 HydrophobicContact CG1-CG1 3.97Å; V171-Y196 PolarHBondContact N-O 3.44Å; V171-G197 WeakPolarHBondContact O-CA 3.31Å
172	S	86.3	Confident	93.7	Very high	117 Å²	117	54.2 Å²	54.2	82%	0.818	28%	0.275	S	S	*	.	S	Bend	trans	-102.9	-30.7	179.1	55.4	0	0	0	0	113.8
173	N	87.6	Confident	94.6	Very high	51 Å²	51	48.8 Å²	48.8	27%	0.273	25%	0.246	S	C	.	.	S	Bend	trans	-111.1	62	-178.4	-179.9	15.1	0	0	0	111.6	R180	N173-R180 PolarHBondContact O-NH2 2.67Å
174	Y	91.3	Very high	94.9	Very high	26 Å²	26	49.7 Å²	49.7	10%	0.102	25%	0.25	C	C	.	.			trans	-74.8	128.7	178.4	-175.7	-87.5	0	0	0	111.1	W169 N176 S181 Y184 K185 W199	W169-Y174 AromaticContact CH2-CD2 3.83Å; W169-Y174 HydrophobicContact CH2-CD2 3.83Å; W169-Y174 HydrophobicContact CH2-CE2 4.04Å; W169-Y174 AromaticContact CZ3-CD2 4Å; W169-Y174 HydrophobicContact CZ3-CD2 4Å; W169-Y174 AromaticContact CZ3-CE2 3.99Å; W169-Y174 HydrophobicContact CZ3-CE2 3.99Å; Y174-N176 WeakPolarHBondContact CE1-OD1 3.38Å; Y174-N176 PolarHBondContact OH-OD1 3.48Å; Y174-S181 WeakPolarHBondContact CD2-OG 3.31Å; Y174-S181 VanDerWaalsContact CE2-OG 3.22Å; Y174-S181 WeakPolarHBondContact CE2-OG 3.47Å; Y174-Y184 HydrophobicContact CE2-CD1 4.26Å; Y174-Y184 HydrophobicContact CE2-CE1 4.47Å; Y174-K185 WeakPolarHBondContact OH-CE 3.36Å; Y174-W199 AromaticContact CD1-CD2 3.57Å; Y174-W199 HydrophobicContact CD1-CD2 3.57Å; Y174-W199 AromaticContact CD1-CE2 3.3Å; Y174-W199 AromaticContact CD1-CE3 3.99Å; Y174-W199 HydrophobicContact CD1-CE3 3.99Å; Y174-W199 HydrophobicContact CD1-CG 4.12Å; Y174-W199 AromaticContact CD1-CH2 3.97Å; Y174-W199 HydrophobicContact CD1-CH2 3.97Å; Y174-W199 AromaticContact CD1-CZ2 3.53Å; Y174-W199 HydrophobicContact CD1-CZ2 3.53Å; Y174-W199 HydrophobicContact CD1-CZ3 4.17Å; Y174-W199 AromaticContact CD1-NE1 3.66Å; Y174-W199 HydrophobicContact CD2-CD2 4.35Å; Y174-W199 AromaticContact CD2-CE3 3.95Å; Y174-W199 HydrophobicContact CD2-CE3 3.95Å; Y174-W199 HydrophobicContact CD2-CH2 4.26Å; Y174-W199 AromaticContact CD2-CZ3 3.9Å; Y174-W199 HydrophobicContact CD2-CZ3 3.9Å; Y174-W199 HydrophobicContact CE1-CD2 4.19Å; Y174-W199 AromaticContact CE1-CE2 3.57Å; Y174-W199 HydrophobicContact CE1-CE3 4.44Å; Y174-W199 AromaticContact CE1-CH2 3.59Å; Y174-W199 HydrophobicContact CE1-CH2 3.59Å; Y174-W199 AromaticContact CE1-CZ2 3.25Å; Y174-W199 HydrophobicContact CE1-CZ2 3.25Å; Y174-W199 HydrophobicContact CE1-CZ3 4.17Å; Y174-W199 HydrophobicContact CE2-CE3 4.39Å; Y174-W199 AromaticContact CE2-CH2 3.88Å; Y174-W199 HydrophobicContact CE2-CH2 3.88Å; Y174-W199 HydrophobicContact CE2-CZ2 4.39Å; Y174-W199 AromaticContact CE2-CZ3 3.88Å; Y174-W199 HydrophobicContact CE2-CZ3 3.88Å; Y174-W199 AromaticContact CG-CD2 3.65Å; Y174-W199 HydrophobicContact CG-CD2 3.65Å; Y174-W199 AromaticContact CG-CE2 3.9Å; Y174-W199 AromaticContact CG-CE3 3.71Å; Y174-W199 HydrophobicContact CG-CE3 3.71Å; Y174-W199 HydrophobicContact CG-CG 4.19Å; Y174-W199 HydrophobicContact CG-CH2 4.28Å; Y174-W199 HydrophobicContact CG-CZ2 4.22Å; Y174-W199 HydrophobicContact CG-CZ3 4.03Å; Y174-W199 AromaticContact CZ-CH2 3.51Å; Y174-W199 AromaticContact CZ-CZ2 3.71Å; Y174-W199 AromaticContact CZ-CZ3 4Å
175	R	92.5	Very high	95	Very high	132 Å²	132	49.3 Å²	49.3	50%	0.498	24%	0.238	S	C	.	.			trans	-142	133.2	168.5	-54.7	-169.2	-177.4	-159.3	-6.6	109.6	Q177 H178 S181	R175-Q177 PolarHBondContact O-N 2.92Å; R175-Q177 VanDerWaalsContact O-N 3.11Å; R175-H178 WeakPolarHBondContact CD-NE2 3.47Å; R175-H178 VanDerWaalsContact CG-CE1 3.47Å; R175-H178 WeakPolarHBondContact CG-CE1 3.38Å; R175-H178 WeakPolarHBondContact O-CB 3.32Å; R175-H178 PolarHBondContact O-N 2.94Å; R175-S181 WeakPolarHBondContact O-CB 3.32Å; R175-S181 PolarHBondContact O-OG 3.46Å
176	N	91	Very high	95.1	Very high	93 Å²	93	52.6 Å²	52.6	50%	0.497	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.4	-173.3	-80.8	-43.6	0	0	0	113.9	Y174 K185	Y174-N176 WeakPolarHBondContact CE1-OD1 3.38Å; Y174-N176 PolarHBondContact OH-OD1 3.48Å; N176-K185 PolarHBondContact OD1-NZ 3.18Å
177	Q	92	Very high	95.1	Very high	130 Å²	130	51.1 Å²	51.1	61%	0.607	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-12.2	-178.4	66.7	-85.7	22.6	0	0	114.4	R175	R175-Q177 PolarHBondContact O-N 2.92Å; R175-Q177 VanDerWaalsContact O-N 3.11Å
178	H	94.3	Very high	95	Very high	34 Å²	34	53.1 Å²	53.1	16%	0.157	26%	0.258	C	S	.	.	S	Bend	trans	-69.2	140.6	178.6	-67.2	167.7	0	0	0	110.7	R175 R180 S181 Q182	R175-H178 WeakPolarHBondContact CD-NE2 3.47Å; R175-H178 VanDerWaalsContact CG-CE1 3.47Å; R175-H178 WeakPolarHBondContact CG-CE1 3.38Å; R175-H178 WeakPolarHBondContact O-CB 3.32Å; R175-H178 PolarHBondContact O-N 2.94Å; H178-R180 VanDerWaalsContact C-N 3.25Å; H178-R180 HydrophobicContact CB-CG 3.99Å; H178-R180 PolarHBondContact O-N 3.03Å; H178-S181 WeakPolarHBondContact O-CB 3.49Å; H178-S181 PolarHBondContact O-N 2.8Å; H178-Q182 PolarHBondContact O-N 2.93Å; H178-Q182 VanDerWaalsContact O-N 3.14Å
179	R	95.4	Very high	94.9	Very high	115 Å²	115	57.1 Å²	57.1	43%	0.434	29%	0.291	S	S	.	.	H	α-helix	trans	-52.4	-43.8	176.3	-177.4	62.2	178.2	164.3	1.1	112.2	S181 Q182 V183 L226 L249	R179-S181 VanDerWaalsContact C-N 3.27Å; R179-S181 PolarHBondContact O-N 3.05Å; R179-Q182 WeakPolarHBondContact O-CB 3.38Å; R179-Q182 PolarHBondContact O-N 2.79Å; R179-Q182 VanDerWaalsContact O-N 3.12Å; R179-V183 HydrophobicContact CG-CG2 4.41Å; R179-V183 WeakPolarHBondContact O-CG2 3.46Å; R179-V183 PolarHBondContact O-N 3.05Å; R179-L226 HydrophobicContact CB-CD1 4.43Å; R179-L226 HydrophobicContact CG-CD1 4.24Å; R179-L249 HydrophobicContact CG-CD2 4.24Å
180	R	96.3	Very high	94.8	Very high	13 Å²	13	58.3 Å²	58.3	5%	0.049	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-35.7	176.2	70.5	-178.6	-175.4	-176	-6.2	114.3	W169 N173 H178 Y184 F222 E223 L249	W169-R180 HydrophobicContact CZ2-CB 4.43Å; W169-R180 HydrophobicContact CZ2-CG 4.1Å; N173-R180 PolarHBondContact O-NH2 2.67Å; H178-R180 VanDerWaalsContact C-N 3.25Å; H178-R180 HydrophobicContact CB-CG 3.99Å; H178-R180 PolarHBondContact O-N 3.03Å; R180-Y184 VanDerWaalsContact O-CB 3.25Å; R180-Y184 WeakPolarHBondContact O-CB 3.38Å; R180-Y184 PolarHBondContact O-N 3.09Å; R180-F222 HydrophobicContact CB-CB 3.76Å; R180-F222 HydrophobicContact CB-CD2 3.93Å; R180-F222 HydrophobicContact CB-CG 4.26Å; R180-F222 PolarHBondContact NH1-O 3.38Å; R180-E223 WeakPolarHBondContact CD-O 3.44Å; R180-L249 HydrophobicContact CB-CD2 3.97Å
181	S	96.6	Very high	94.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-74.8	-32.6	179	-68.4	0	0	0	0	111.2	Y174 R175 H178 R179 K185	Y174-S181 WeakPolarHBondContact CD2-OG 3.31Å; Y174-S181 VanDerWaalsContact CE2-OG 3.22Å; Y174-S181 WeakPolarHBondContact CE2-OG 3.47Å; R175-S181 WeakPolarHBondContact O-CB 3.32Å; R175-S181 PolarHBondContact O-OG 3.46Å; H178-S181 WeakPolarHBondContact O-CB 3.49Å; H178-S181 PolarHBondContact O-N 2.8Å; R179-S181 VanDerWaalsContact C-N 3.27Å; R179-S181 PolarHBondContact O-N 3.05Å; S181-K185 VanDerWaalsContact O-CG 3.27Å; S181-K185 WeakPolarHBondContact O-CG 3.35Å; S181-K185 PolarHBondContact O-N 2.66Å; S181-K185 VanDerWaalsContact O-N 3.1Å
182	Q	96.7	Very high	94.9	Very high	89 Å²	89	60.9 Å²	60.9	42%	0.416	32%	0.316	S	S	.	.	H	α-helix	trans	-67.5	-50.2	172.7	-63	170.5	-5.1	0	0	111.3	H178 R179 Y184 K185 E186	H178-Q182 PolarHBondContact O-N 2.93Å; H178-Q182 VanDerWaalsContact O-N 3.14Å; R179-Q182 WeakPolarHBondContact O-CB 3.38Å; R179-Q182 PolarHBondContact O-N 2.79Å; R179-Q182 VanDerWaalsContact O-N 3.12Å; Q182-Y184 VanDerWaalsContact C-N 3.31Å; Q182-Y184 PolarHBondContact O-N 2.93Å; Q182-K185 PolarHBondContact O-N 2.8Å; Q182-K185 VanDerWaalsContact O-N 3.13Å; Q182-E186 PolarHBondContact O-N 3.3Å; Q182-E186 VanDerWaalsContact O-N 3.08Å
183	V	98	Very high	95.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-43.6	177.2	174.5	0	0	0	0	110.8	R179 K185 E186 L187 F222 L249 V268 V274	R179-V183 HydrophobicContact CG-CG2 4.41Å; R179-V183 WeakPolarHBondContact O-CG2 3.46Å; R179-V183 PolarHBondContact O-N 3.05Å; V183-K185 PolarHBondContact O-N 3.06Å; V183-E186 PolarHBondContact O-N 2.83Å; V183-L187 VanDerWaalsContact O-CB 3.27Å; V183-L187 WeakPolarHBondContact O-CB 3.45Å; V183-L187 PolarHBondContact O-N 3.14Å; V183-F222 HydrophobicContact CB-CE2 4.2Å; V183-F222 HydrophobicContact CG1-CE2 3.78Å; V183-F222 HydrophobicContact CG1-CZ 3.77Å; V183-L249 HydrophobicContact CB-CD2 4.23Å; V183-L249 HydrophobicContact CG2-CD2 3.95Å; V183-V268 HydrophobicContact CG1-CG1 4.04Å; V183-V268 HydrophobicContact CG1-CG2 4.27Å; V183-V274 HydrophobicContact CG1-CG1 4.14Å; V183-V274 HydrophobicContact CG1-CG2 4.13Å
184	Y	97.8	Very high	95.9	Very high	40 Å²	40	58.3 Å²	58.3	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-56	-48.7	173.4	157.4	-104	0	0	0	112.5	W169 Y174 R180 Q182 E186 L187 S188 V193 V195	W169-Y184 HydrophobicContact CD2-CD2 4.48Å; W169-Y184 HydrophobicContact CE3-CD1 4.16Å; W169-Y184 AromaticContact CE3-CD2 3.47Å; W169-Y184 HydrophobicContact CE3-CD2 3.47Å; W169-Y184 VanDerWaalsContact CE3-CD2 3.47Å; W169-Y184 AromaticContact CE3-CE2 3.98Å; W169-Y184 HydrophobicContact CE3-CE2 3.98Å; W169-Y184 AromaticContact CE3-CG 3.57Å; W169-Y184 HydrophobicContact CE3-CG 3.57Å; W169-Y184 HydrophobicContact CH2-CD1 4.37Å; W169-Y184 HydrophobicContact CH2-CG 4.13Å; W169-Y184 AromaticContact CZ3-CD1 3.5Å; W169-Y184 HydrophobicContact CZ3-CD1 3.5Å; W169-Y184 VanDerWaalsContact CZ3-CD1 3.5Å; W169-Y184 AromaticContact CZ3-CD2 3.68Å; W169-Y184 HydrophobicContact CZ3-CD2 3.68Å; W169-Y184 HydrophobicContact CZ3-CE1 4.11Å; W169-Y184 HydrophobicContact CZ3-CE2 4.28Å; W169-Y184 AromaticContact CZ3-CG 3.25Å; W169-Y184 HydrophobicContact CZ3-CG 3.25Å; Y174-Y184 HydrophobicContact CE2-CD1 4.26Å; Y174-Y184 HydrophobicContact CE2-CE1 4.47Å; R180-Y184 VanDerWaalsContact O-CB 3.25Å; R180-Y184 WeakPolarHBondContact O-CB 3.38Å; R180-Y184 PolarHBondContact O-N 3.09Å; Q182-Y184 VanDerWaalsContact C-N 3.31Å; Q182-Y184 PolarHBondContact O-N 2.93Å; Y184-E186 VanDerWaalsContact C-N 3.34Å; Y184-E186 PolarHBondContact O-N 3.11Å; Y184-L187 PolarHBondContact O-N 3.17Å; Y184-S188 WeakPolarHBondContact CD2-OG 3.5Å; Y184-S188 WeakPolarHBondContact CE2-OG 3.44Å; Y184-S188 WeakPolarHBondContact O-CB 3.45Å; Y184-S188 PolarHBondContact O-N 2.93Å; Y184-S188 PolarHBondContact O-OG 2.93Å; Y184-V193 HydrophobicContact CD2-CB 4.45Å; Y184-V193 HydrophobicContact CD2-CG1 4.03Å; Y184-V193 HydrophobicContact CE2-CB 4.05Å; Y184-V193 HydrophobicContact CE2-CG1 3.86Å; Y184-V195 HydrophobicContact CD2-CG2 4.31Å; Y184-V195 HydrophobicContact CE2-CG2 3.35Å; Y184-V195 WeakPolarHBondContact OH-CG2 3.47Å
185	K	97.1	Very high	96.2	Very high	100 Å²	100	57.5 Å²	57.5	44%	0.435	29%	0.288	S	S	.	.	H	α-helix	trans	-59.9	-44.3	-179.1	-76.6	173.5	-174.5	-177	0	111.8	Y174 N176 S181 Q182 V183 A189	Y174-K185 WeakPolarHBondContact OH-CE 3.36Å; N176-K185 PolarHBondContact OD1-NZ 3.18Å; S181-K185 VanDerWaalsContact O-CG 3.27Å; S181-K185 WeakPolarHBondContact O-CG 3.35Å; S181-K185 PolarHBondContact O-N 2.66Å; S181-K185 VanDerWaalsContact O-N 3.1Å; Q182-K185 PolarHBondContact O-N 2.8Å; Q182-K185 VanDerWaalsContact O-N 3.13Å; V183-K185 PolarHBondContact O-N 3.06Å; K185-A189 PolarHBondContact O-N 2.75Å
186	E	97.6	Very high	96.4	Very high	89 Å²	89	52.4 Å²	52.4	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-67.3	-41.8	178.1	-166.5	-177.2	156.6	0	0	111.6	Q182 V183 Y184 A189 V274	Q182-E186 PolarHBondContact O-N 3.3Å; Q182-E186 VanDerWaalsContact O-N 3.08Å; V183-E186 PolarHBondContact O-N 2.83Å; Y184-E186 VanDerWaalsContact C-N 3.34Å; Y184-E186 PolarHBondContact O-N 3.11Å; E186-A189 WeakPolarHBondContact O-CB 3.45Å; E186-A189 PolarHBondContact O-N 3.35Å; E186-V274 HydrophobicContact CB-CB 4.06Å; E186-V274 HydrophobicContact CB-CG1 4.07Å; E186-V274 HydrophobicContact CB-CG2 4.36Å; E186-V274 VanDerWaalsContact CD-CB 3.42Å; E186-V274 HydrophobicContact CG-CB 3.8Å; E186-V274 HydrophobicContact CG-CG1 4.25Å; E186-V274 HydrophobicContact CG-CG2 4.34Å; E186-V274 WeakPolarHBondContact OE1-CB 3.38Å; E186-V274 WeakPolarHBondContact OE2-CG2 3.36Å
187	L	98.4	Very high	96.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-43.2	177.7	-173.7	61.7	0	0	0	111.8	V183 Y184 A189 T190 V191 V193 L220 V274 L277 L281	V183-L187 VanDerWaalsContact O-CB 3.27Å; V183-L187 WeakPolarHBondContact O-CB 3.45Å; V183-L187 PolarHBondContact O-N 3.14Å; Y184-L187 PolarHBondContact O-N 3.17Å; L187-A189 PolarHBondContact O-N 3.35Å; L187-T190 PolarHBondContact O-N 2.95Å; L187-V191 HydrophobicContact CD1-CG2 3.7Å; L187-V191 HydrophobicContact CG-CG2 3.74Å; L187-V191 PolarHBondContact O-N 2.61Å; L187-V193 HydrophobicContact CD2-CG2 4.37Å; L187-V193 HydrophobicContact CG-CG2 4.29Å; L187-L220 HydrophobicContact CD2-CD1 4.12Å; L187-L220 HydrophobicContact CD2-CD2 3.86Å; L187-V274 HydrophobicContact CB-CG1 3.59Å; L187-V274 HydrophobicContact CD1-CG1 4.06Å; L187-V274 HydrophobicContact CG-CG1 4.39Å; L187-L277 HydrophobicContact CD1-CD2 4.46Å; L187-L277 HydrophobicContact CD1-CG 4.35Å; L187-L281 HydrophobicContact CD1-CD1 4.43Å
188	S	97.5	Very high	96.5	Very high	43 Å²	43	52.8 Å²	52.8	30%	0.301	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-18.2	177.5	-70.8	0	0	0	0	114	Y184 T190 V191 V193	Y184-S188 WeakPolarHBondContact CD2-OG 3.5Å; Y184-S188 WeakPolarHBondContact CE2-OG 3.44Å; Y184-S188 WeakPolarHBondContact O-CB 3.45Å; Y184-S188 PolarHBondContact O-N 2.93Å; Y184-S188 PolarHBondContact O-OG 2.93Å; S188-T190 VanDerWaalsContact C-N 3.28Å; S188-V191 WeakPolarHBondContact CA-O 3.36Å; S188-V193 WeakPolarHBondContact OG-CB 3.43Å; S188-V193 WeakPolarHBondContact OG-CG2 3.23Å
189	A	96.2	Very high	96.3	Very high	84 Å²	84	57.4 Å²	57.4	69%	0.694	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.2	171.3	0	0	0	0	0	113	K185 E186 L187	K185-A189 PolarHBondContact O-N 2.75Å; E186-A189 WeakPolarHBondContact O-CB 3.45Å; E186-A189 PolarHBondContact O-N 3.35Å; L187-A189 PolarHBondContact O-N 3.35Å
190	T	95.3	Very high	96.1	Very high	28 Å²	28	54 Å²	54	17%	0.172	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-36.2	-177.3	-51.3	0	0	0	0	112.3	L187 S188 R275 Q282	L187-T190 PolarHBondContact O-N 2.95Å; S188-T190 VanDerWaalsContact C-N 3.28Å; T190-R275 HydrophobicContact CG2-CG 4.29Å; T190-Q282 PolarHBondContact O-NE2 2.85Å
191	V	97.1	Very high	96	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.024	30%	0.304	C	S	.	.	S	Bend	trans	-137.6	149.5	-176.3	-58.7	0	0	0	0	111.7	L166 V167 L187 S188 V193 G278 Q282	L166-V191 HydrophobicContact CD2-CB 3.86Å; L166-V191 HydrophobicContact CD2-CG1 4.12Å; V167-V191 HydrophobicContact CG2-CG2 4.02Å; L187-V191 HydrophobicContact CD1-CG2 3.7Å; L187-V191 HydrophobicContact CG-CG2 3.74Å; L187-V191 PolarHBondContact O-N 2.61Å; S188-V191 WeakPolarHBondContact CA-O 3.36Å; V191-V193 HydrophobicContact CG2-CG2 4.2Å; V191-V193 PolarHBondContact O-N 2.99Å; V191-G278 VanDerWaalsContact CG1-O 3.28Å; V191-G278 WeakPolarHBondContact CG1-O 3.31Å; V191-Q282 HydrophobicContact CG1-CG 3.68Å
192	P	97.3	Very high	95.9	Very high	91 Å²	91	66.1 Å²	66.1	59%	0.591	32%	0.321	S	S	*	.			trans	-65.3	123	173.6	26.2	-34	0	0	0	110.9	L166	L166-P192 HydrophobicContact CB-CG 4.34Å; L166-P192 HydrophobicContact CD2-CG 4.32Å
193	V	98.3	Very high	95.8	Very high	23 Å²	23	66.3 Å²	66.3	14%	0.139	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.6	175	-176.1	0	0	0	0	109.5	V167 W169 Y184 L187 S188 V191 V195 L220	V167-V193 HydrophobicContact CB-CB 4.46Å; V167-V193 HydrophobicContact CB-CG1 4.37Å; V167-V193 HydrophobicContact CB-CG2 4.09Å; V167-V193 HydrophobicContact CG1-CG1 4.03Å; V167-V193 HydrophobicContact CG1-CG2 4.15Å; W169-V193 HydrophobicContact CB-CG1 4.18Å; Y184-V193 HydrophobicContact CD2-CB 4.45Å; Y184-V193 HydrophobicContact CD2-CG1 4.03Å; Y184-V193 HydrophobicContact CE2-CB 4.05Å; Y184-V193 HydrophobicContact CE2-CG1 3.86Å; L187-V193 HydrophobicContact CD2-CG2 4.37Å; L187-V193 HydrophobicContact CG-CG2 4.29Å; S188-V193 WeakPolarHBondContact OG-CB 3.43Å; S188-V193 WeakPolarHBondContact OG-CG2 3.23Å; V191-V193 HydrophobicContact CG2-CG2 4.2Å; V191-V193 PolarHBondContact O-N 2.99Å; V193-V195 HydrophobicContact CG1-CG2 4.13Å; V193-L220 HydrophobicContact CG1-CD1 4.05Å
194	K	97.8	Very high	95.7	Very high	90 Å²	90	68.5 Å²	68.5	39%	0.391	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.4	175	-163.3	172.3	-173.6	-175.1	0	110.1	V167 C168 W169 Y196	V167-K194 PolarHBondContact O-N 2.62Å; C168-K194 CarbonylContact C-O 3.54Å; C168-K194 VanDerWaalsContact CA-O 3.31Å; C168-K194 WeakPolarHBondContact CA-O 3.49Å; W169-K194 PolarHBondContact N-O 3.17Å; K194-Y196 HydrophobicContact CB-CE2 4.23Å; K194-Y196 HydrophobicContact CD-CE2 3.87Å; K194-Y196 VanDerWaalsContact CD-OH 3.22Å; K194-Y196 WeakPolarHBondContact CD-OH 3.35Å; K194-Y196 WeakPolarHBondContact CE-OH 3.5Å; K194-Y196 HydrophobicContact CG-CE2 3.66Å; K194-Y196 PolarHBondContact NZ-OH 2.85Å
195	V	97.6	Very high	95.5	Very high	10 Å²	10	68.6 Å²	68.6	6%	0.061	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.4	-176	-173.3	0	0	0	0	110.6	W169 V171 Y184 V193 N200	W169-V195 HydrophobicContact CE3-CG1 4.15Å; W169-V195 HydrophobicContact CE3-CG2 4.22Å; W169-V195 CarbonylContact O-C 3.6Å; W169-V195 VanDerWaalsContact O-CA 3.31Å; W169-V195 WeakPolarHBondContact O-CA 3.49Å; V171-V195 HydrophobicContact CG1-CG1 3.97Å; Y184-V195 HydrophobicContact CD2-CG2 4.31Å; Y184-V195 HydrophobicContact CE2-CG2 3.35Å; Y184-V195 WeakPolarHBondContact OH-CG2 3.47Å; V193-V195 HydrophobicContact CG1-CG2 4.13Å; V195-N200 WeakPolarHBondContact CB-ND2 3.46Å; V195-N200 PolarHBondContact O-ND2 3.28Å
196	Y	97.1	Very high	95.3	Very high	24 Å²	24	68.7 Å²	68.7	9%	0.094	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.8	175.3	-62.2	-93.6	0	0	0	109.7	W169 V170 V171 K194 M202 L204 T212	W169-Y196 PolarHBondContact O-N 2.79Å; V170-Y196 CarbonylContact C-O 3.59Å; V170-Y196 WeakPolarHBondContact CA-O 3.41Å; V170-Y196 HydrophobicContact CG2-CD2 4.25Å; V170-Y196 HydrophobicContact CG2-CG 4.44Å; V171-Y196 PolarHBondContact N-O 3.44Å; K194-Y196 HydrophobicContact CB-CE2 4.23Å; K194-Y196 HydrophobicContact CD-CE2 3.87Å; K194-Y196 VanDerWaalsContact CD-OH 3.22Å; K194-Y196 WeakPolarHBondContact CD-OH 3.35Å; K194-Y196 WeakPolarHBondContact CE-OH 3.5Å; K194-Y196 HydrophobicContact CG-CE2 3.66Å; K194-Y196 PolarHBondContact NZ-OH 2.85Å; Y196-M202 CarbonylContact C-O 3.59Å; Y196-M202 WeakPolarHBondContact CA-O 3.33Å; Y196-M202 HydrophobicContact CD1-CB 4.43Å; Y196-M202 HydrophobicContact CD1-CE 3.73Å; Y196-M202 HydrophobicContact CE1-CE 3.56Å; Y196-L204 HydrophobicContact CD1-CD1 4.34Å; Y196-L204 HydrophobicContact CD1-CD2 4.45Å; Y196-L204 HydrophobicContact CG-CD2 4.41Å; Y196-T212 HydrophobicContact CD2-CG2 4.21Å; Y196-T212 HydrophobicContact CE1-CG2 3.89Å; Y196-T212 HydrophobicContact CE2-CG2 3.56Å; Y196-T212 WeakPolarHBondContact OH-CG2 3.5Å
197	G	94.2	Very high	95.2	Very high	8 Å²	8	71.4 Å²	71.4	8%	0.082	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	160.9	164	-178.4	0	0	0	0	0	112.6	V171 W199 N200 M202	V171-G197 WeakPolarHBondContact O-CA 3.31Å; G197-W199 VanDerWaalsContact C-N 3.27Å; G197-W199 PolarHBondContact O-N 3.27Å; G197-N200 PolarHBondContact N-OD1 3.02Å; G197-N200 PolarHBondContact O-OD1 3.07Å; G197-M202 PolarHBondContact N-O 3.11Å; G197-M202 CarbonylContact O-C 3.54Å; G197-M202 PolarHBondContact O-N 3.27Å
198	R	90.9	Very high	95.1	Very high	223 Å²	223	75.5 Å²	75.5	84%	0.842	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-36.9	173.6	-67.8	-177.8	-179.3	-179.8	-0.7	111.5	N200 K201 P203	R198-N200 VanDerWaalsContact C-N 3.3Å; R198-N200 PolarHBondContact O-N 3.08Å; R198-K201 PolarHBondContact O-N 3.45Å; R198-K201 VanDerWaalsContact O-N 3.15Å; R198-P203 HydrophobicContact CG-CB 4.38Å
199	W	88.4	Confident	95.1	Very high	132 Å²	132	74.7 Å²	74.7	50%	0.5	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.5	-178.1	170.3	75.8	0	0	0	113.3	Y174 G197	Y174-W199 AromaticContact CD1-CD2 3.57Å; Y174-W199 HydrophobicContact CD1-CD2 3.57Å; Y174-W199 AromaticContact CD1-CE2 3.3Å; Y174-W199 AromaticContact CD1-CE3 3.99Å; Y174-W199 HydrophobicContact CD1-CE3 3.99Å; Y174-W199 HydrophobicContact CD1-CG 4.12Å; Y174-W199 AromaticContact CD1-CH2 3.97Å; Y174-W199 HydrophobicContact CD1-CH2 3.97Å; Y174-W199 AromaticContact CD1-CZ2 3.53Å; Y174-W199 HydrophobicContact CD1-CZ2 3.53Å; Y174-W199 HydrophobicContact CD1-CZ3 4.17Å; Y174-W199 AromaticContact CD1-NE1 3.66Å; Y174-W199 HydrophobicContact CD2-CD2 4.35Å; Y174-W199 AromaticContact CD2-CE3 3.95Å; Y174-W199 HydrophobicContact CD2-CE3 3.95Å; Y174-W199 HydrophobicContact CD2-CH2 4.26Å; Y174-W199 AromaticContact CD2-CZ3 3.9Å; Y174-W199 HydrophobicContact CD2-CZ3 3.9Å; Y174-W199 HydrophobicContact CE1-CD2 4.19Å; Y174-W199 AromaticContact CE1-CE2 3.57Å; Y174-W199 HydrophobicContact CE1-CE3 4.44Å; Y174-W199 AromaticContact CE1-CH2 3.59Å; Y174-W199 HydrophobicContact CE1-CH2 3.59Å; Y174-W199 AromaticContact CE1-CZ2 3.25Å; Y174-W199 HydrophobicContact CE1-CZ2 3.25Å; Y174-W199 HydrophobicContact CE1-CZ3 4.17Å; Y174-W199 HydrophobicContact CE2-CE3 4.39Å; Y174-W199 AromaticContact CE2-CH2 3.88Å; Y174-W199 HydrophobicContact CE2-CH2 3.88Å; Y174-W199 HydrophobicContact CE2-CZ2 4.39Å; Y174-W199 AromaticContact CE2-CZ3 3.88Å; Y174-W199 HydrophobicContact CE2-CZ3 3.88Å; Y174-W199 AromaticContact CG-CD2 3.65Å; Y174-W199 HydrophobicContact CG-CD2 3.65Å; Y174-W199 AromaticContact CG-CE2 3.9Å; Y174-W199 AromaticContact CG-CE3 3.71Å; Y174-W199 HydrophobicContact CG-CE3 3.71Å; Y174-W199 HydrophobicContact CG-CG 4.19Å; Y174-W199 HydrophobicContact CG-CH2 4.28Å; Y174-W199 HydrophobicContact CG-CZ2 4.22Å; Y174-W199 HydrophobicContact CG-CZ3 4.03Å; Y174-W199 AromaticContact CZ-CH2 3.51Å; Y174-W199 AromaticContact CZ-CZ2 3.71Å; Y174-W199 AromaticContact CZ-CZ3 4Å; G197-W199 VanDerWaalsContact C-N 3.27Å; G197-W199 PolarHBondContact O-N 3.27Å
200	N	91	Very high	95.1	Very high	44 Å²	44	72.9 Å²	72.9	24%	0.235	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	18.1	178.9	78.9	-31.1	0	0	0	113.5	V195 G197 R198 M202	V195-N200 WeakPolarHBondContact CB-ND2 3.46Å; V195-N200 PolarHBondContact O-ND2 3.28Å; G197-N200 PolarHBondContact N-OD1 3.02Å; G197-N200 PolarHBondContact O-OD1 3.07Å; R198-N200 VanDerWaalsContact C-N 3.3Å; R198-N200 PolarHBondContact O-N 3.08Å; N200-M202 PolarHBondContact O-N 3.26Å; N200-M202 VanDerWaalsContact O-N 3.15Å; N200-M202 PolarHBondContact OD1-N 2.92Å
201	K	94.3	Very high	95.1	Very high	191 Å²	191	74.5 Å²	74.5	83%	0.83	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	24.2	-179.2	-53	-179.6	-179.1	180	0	114.3	R198 P203	R198-K201 PolarHBondContact O-N 3.45Å; R198-K201 VanDerWaalsContact O-N 3.15Å; K201-P203 VanDerWaalsContact C-CD 3.4Å; K201-P203 WeakPolarHBondContact O-CD 3.27Å
202	M	95.8	Very high	95	Very high	75 Å²	75	75.3 Å²	75.3	37%	0.369	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-122.4	64.5	172.4	-69.8	-172.8	53.5	0	0	110.1	Y196 G197 N200	Y196-M202 CarbonylContact C-O 3.59Å; Y196-M202 WeakPolarHBondContact CA-O 3.33Å; Y196-M202 HydrophobicContact CD1-CB 4.43Å; Y196-M202 HydrophobicContact CD1-CE 3.73Å; Y196-M202 HydrophobicContact CE1-CE 3.56Å; G197-M202 PolarHBondContact N-O 3.11Å; G197-M202 CarbonylContact O-C 3.54Å; G197-M202 PolarHBondContact O-N 3.27Å; N200-M202 PolarHBondContact O-N 3.26Å; N200-M202 VanDerWaalsContact O-N 3.15Å; N200-M202 PolarHBondContact OD1-N 2.92Å
203	P	94.9	Very high	95	Very high	93 Å²	93	71 Å²	71	60%	0.604	36%	0.355	S	S	*	.			trans	-60.5	148.8	178.2	29.7	-35.6	0	0	0	110.3	R198 K201	R198-P203 HydrophobicContact CG-CB 4.38Å; K201-P203 VanDerWaalsContact C-CD 3.4Å; K201-P203 WeakPolarHBondContact O-CD 3.27Å
204	L	94.6	Very high	94.8	Very high	46 Å²	46	72.3 Å²	72.3	24%	0.241	37%	0.365	C	S	.	.			trans	-125.9	131.4	176.5	-164.5	63	0	0	0	108.3	V170 Y196 D208 L209 T212	V170-L204 HydrophobicContact CG1-CD2 4.44Å; V170-L204 HydrophobicContact CG2-CD2 3.96Å; Y196-L204 HydrophobicContact CD1-CD1 4.34Å; Y196-L204 HydrophobicContact CD1-CD2 4.45Å; Y196-L204 HydrophobicContact CG-CD2 4.41Å; L204-D208 HydrophobicContact CD1-CB 3.55Å; L204-D208 HydrophobicContact CG-CB 4.13Å; L204-L209 HydrophobicContact CD2-CD1 3.89Å; L204-T212 HydrophobicContact CD2-CG2 4.05Å
205	S	95.1	Very high	94.8	Very high	43 Å²	43	75.2 Å²	75.2	30%	0.301	37%	0.374	S	S	.	.			trans	-70.3	167.9	174.9	72.9	0	0	0	0	110.5	E207 D208 L209	S205-E207 VanDerWaalsContact C-N 3.28Å; S205-E207 WeakPolarHBondContact CB-OE2 3.32Å; S205-E207 PolarHBondContact OG-N 3.43Å; S205-D208 VanDerWaalsContact OG-CB 3.29Å; S205-D208 WeakPolarHBondContact OG-CB 3.47Å; S205-D208 PolarHBondContact OG-N 3.24Å; S205-D208 PolarHBondContact OG-OD2 3.4Å; S205-L209 PolarHBondContact O-N 2.65Å
206	S	92.7	Very high	94.7	Very high	101 Å²	101	74.8 Å²	74.8	71%	0.706	37%	0.371	S	S	*	.	H	α-helix	trans	-68.5	-33.5	174.8	-70.7	0	0	0	0	111.4	L209	S206-L209 WeakPolarHBondContact O-CB 3.38Å
207	E	95.5	Very high	94.8	Very high	147 Å²	147	76.7 Å²	76.7	69%	0.687	38%	0.379	S	S	*	.	H	α-helix	trans	-69.9	-37.5	-180	-62.6	69.8	-153.3	0	0	111.6	S205 L209 P211	S205-E207 VanDerWaalsContact C-N 3.28Å; S205-E207 WeakPolarHBondContact CB-OE2 3.32Å; S205-E207 PolarHBondContact OG-N 3.43Å; E207-L209 VanDerWaalsContact C-N 3.35Å; E207-P211 VanDerWaalsContact O-CD 3.29Å; E207-P211 WeakPolarHBondContact O-CD 3.35Å
208	D	96.1	Very high	95	Very high	86 Å²	86	76.3 Å²	76.3	46%	0.46	38%	0.375	S	S	.	.	H	α-helix	trans	-84.5	-7.9	-178.6	-62.9	-47.9	0	0	0	113.6	L204 S205 T212	L204-D208 HydrophobicContact CD1-CB 3.55Å; L204-D208 HydrophobicContact CG-CB 4.13Å; S205-D208 VanDerWaalsContact OG-CB 3.29Å; S205-D208 WeakPolarHBondContact OG-CB 3.47Å; S205-D208 PolarHBondContact OG-N 3.24Å; S205-D208 PolarHBondContact OG-OD2 3.4Å; D208-T212 WeakPolarHBondContact O-CB 3.3Å; D208-T212 PolarHBondContact O-N 3.31Å; D208-T212 PolarHBondContact O-OG1 2.82Å
209	L	96.3	Very high	95.3	Very high	25 Å²	25	65.8 Å²	65.8	13%	0.131	34%	0.335	C	S	.	.	H	α-helix	trans	-60.1	-59.6	-173.2	-178.8	61.3	0	0	0	112.7	V170 L204 S205 S206 E207 T212 I213 N238	V170-L209 HydrophobicContact CB-CD1 4.19Å; V170-L209 HydrophobicContact CG1-CD1 3.91Å; V170-L209 HydrophobicContact CG2-CD1 3.88Å; L204-L209 HydrophobicContact CD2-CD1 3.89Å; S205-L209 PolarHBondContact O-N 2.65Å; S206-L209 WeakPolarHBondContact O-CB 3.38Å; E207-L209 VanDerWaalsContact C-N 3.35Å; L209-T212 PolarHBondContact O-N 3.08Å; L209-I213 HydrophobicContact CD1-CD1 3.81Å; L209-I213 HydrophobicContact CG-CD1 4.12Å; L209-I213 VanDerWaalsContact O-CG1 3.31Å; L209-I213 WeakPolarHBondContact O-CG1 3.27Å; L209-I213 PolarHBondContact O-N 3.01Å; L209-I213 VanDerWaalsContact O-N 3.08Å; L209-N238 WeakPolarHBondContact CD2-OD1 3.41Å
210	L	96.3	Very high	95.8	Very high	47 Å²	47	59.5 Å²	59.5	25%	0.246	31%	0.311	C	S	.	.	H	α-helix	trans	-68.8	-43.1	-178.4	-54.7	-176.1	0	0	0	112.3	T212 I213 S214 H237 K241	L210-T212 PolarHBondContact O-N 3.12Å; L210-I213 PolarHBondContact O-N 3.37Å; L210-S214 WeakPolarHBondContact O-CB 3.3Å; L210-S214 PolarHBondContact O-N 3.18Å; L210-H237 VanDerWaalsContact CD2-O 3.23Å; L210-H237 WeakPolarHBondContact CD2-O 3.27Å; L210-K241 HydrophobicContact CD1-CB 4.09Å; L210-K241 HydrophobicContact CD2-CB 4.47Å
211	P	95.1	Very high	96.2	Very high	62 Å²	62	57.5 Å²	57.5	40%	0.403	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-30.7	173.7	-26.6	35.5	0	0	0	114.3	E207 S214	E207-P211 VanDerWaalsContact O-CD 3.29Å; E207-P211 WeakPolarHBondContact O-CD 3.35Å; P211-S214 PolarHBondContact O-OG 2.97Å
212	T	95.9	Very high	96.4	Very high	20 Å²	20	48.4 Å²	48.4	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-73.1	-47.9	174.9	-66.6	0	0	0	0	111	Y196 L204 D208 L209 L210 S214 R215 C216	Y196-T212 HydrophobicContact CD2-CG2 4.21Å; Y196-T212 HydrophobicContact CE1-CG2 3.89Å; Y196-T212 HydrophobicContact CE2-CG2 3.56Å; Y196-T212 WeakPolarHBondContact OH-CG2 3.5Å; L204-T212 HydrophobicContact CD2-CG2 4.05Å; D208-T212 WeakPolarHBondContact O-CB 3.3Å; D208-T212 PolarHBondContact O-N 3.31Å; D208-T212 PolarHBondContact O-OG1 2.82Å; L209-T212 PolarHBondContact O-N 3.08Å; L210-T212 PolarHBondContact O-N 3.12Å; T212-S214 VanDerWaalsContact C-N 3.27Å; T212-S214 PolarHBondContact O-N 3.47Å; T212-R215 PolarHBondContact O-N 3.44Å; T212-C216 PolarHBondContact O-SG 2.86Å
213	I	96.6	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-33.4	-179.3	-66.3	170	0	0	0	111.5	V170 L209 L210 R215 C216 Y219 N238 A244	V170-I213 HydrophobicContact CG2-CG1 4.5Å; L209-I213 HydrophobicContact CD1-CD1 3.81Å; L209-I213 HydrophobicContact CG-CD1 4.12Å; L209-I213 VanDerWaalsContact O-CG1 3.31Å; L209-I213 WeakPolarHBondContact O-CG1 3.27Å; L209-I213 PolarHBondContact O-N 3.01Å; L209-I213 VanDerWaalsContact O-N 3.08Å; L210-I213 PolarHBondContact O-N 3.37Å; I213-R215 PolarHBondContact O-N 2.9Å; I213-R215 VanDerWaalsContact O-N 3.13Å; I213-C216 VanDerWaalsContact O-CB 3.31Å; I213-C216 WeakPolarHBondContact O-CB 3.47Å; I213-C216 PolarHBondContact O-N 3.14Å; I213-Y219 HydrophobicContact CD1-CD2 3.7Å; I213-Y219 HydrophobicContact CD1-CE2 3.47Å; I213-Y219 VanDerWaalsContact CD1-CE2 3.47Å; I213-Y219 HydrophobicContact CD1-CG 4.38Å; I213-Y219 HydrophobicContact CG1-CD2 3.7Å; I213-Y219 HydrophobicContact CG1-CE2 3.84Å; I213-Y219 HydrophobicContact CG2-CD2 4.05Å; I213-Y219 HydrophobicContact CG2-CG 4.15Å; I213-N238 HydrophobicContact CD1-CB 3.7Å; I213-N238 WeakPolarHBondContact CG2-O 3.46Å; I213-A244 HydrophobicContact CG2-CB 3.67Å
214	S	95.6	Very high	96.5	Very high	52 Å²	52	42 Å²	42	36%	0.364	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.1	179.2	72.6	0	0	0	0	114.1	K163 L210 P211 T212 C216 G242	K163-S214 VanDerWaalsContact CD-O 3.27Å; K163-S214 WeakPolarHBondContact CD-O 3.44Å; K163-S214 WeakPolarHBondContact CE-O 3.4Å; K163-S214 PolarHBondContact NZ-O 3.39Å; L210-S214 WeakPolarHBondContact O-CB 3.3Å; L210-S214 PolarHBondContact O-N 3.18Å; P211-S214 PolarHBondContact O-OG 2.97Å; T212-S214 VanDerWaalsContact C-N 3.27Å; T212-S214 PolarHBondContact O-N 3.47Å; S214-C216 VanDerWaalsContact C-N 3.27Å; S214-C216 PolarHBondContact O-N 3.05Å; S214-G242 WeakPolarHBondContact CA-O 3.23Å; S214-G242 VanDerWaalsContact CB-O 3.25Å; S214-G242 WeakPolarHBondContact CB-O 3.35Å; S214-G242 PolarHBondContact N-O 3.15Å
215	R	95.9	Very high	96.5	Very high	151 Å²	151	40.5 Å²	40.5	57%	0.57	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.7	174.2	-60.6	176.6	-173.8	-171.6	1	113.4	K163 T164 S165 T212 I213	K163-R215 CarbonylContact C-O 3.21Å; K163-R215 WeakPolarHBondContact CA-O 3.31Å; T164-R215 PolarHBondContact N-O 2.76Å; S165-R215 PolarHBondContact N-O 3.38Å; T212-R215 PolarHBondContact O-N 3.44Å; I213-R215 PolarHBondContact O-N 2.9Å; I213-R215 VanDerWaalsContact O-N 3.13Å
216	C	97.1	Very high	96.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.5	-177.1	-43.7	0	0	0	0	110.8	K163 S165 C168 T212 I213 S214 A244	K163-C216 WeakPolarHBondContact CD-O 3.2Å; K163-C216 VanDerWaalsContact CE-O 3.3Å; K163-C216 WeakPolarHBondContact CE-O 3.49Å; K163-C216 PolarHBondContact NZ-O 3.01Å; S165-C216 CarbonylContact O-C 3.58Å; S165-C216 VanDerWaalsContact O-CA 3.24Å; S165-C216 WeakPolarHBondContact O-CA 3.29Å; C168-C216 HydrophobicContact CB-CB 3.64Å; C168-C216 WeakPolarHBondContact CB-SG 3.13Å; C168-C216 WeakPolarHBondContact SG-CB 3.15Å; C168-C216 CovalentContact SG-SG 2.01Å; C168-C216 PolarHBondContact SG-SG 3.48Å; T212-C216 PolarHBondContact O-SG 2.86Å; I213-C216 VanDerWaalsContact O-CB 3.31Å; I213-C216 WeakPolarHBondContact O-CB 3.47Å; I213-C216 PolarHBondContact O-N 3.14Å; S214-C216 VanDerWaalsContact C-N 3.27Å; S214-C216 PolarHBondContact O-N 3.05Å; C216-A244 WeakPolarHBondContact O-CB 3.37Å
217	Y	97.8	Very high	96.7	Very high	64 Å²	64	39.2 Å²	39.2	25%	0.251	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	-49.8	169.5	-78.8	-88	0	0	0	109.5	K163 S165 L166 V245 A285 Y291	K163-Y217 HydrophobicContact CB-CD1 4.13Å; K163-Y217 HydrophobicContact CB-CD2 3.45Å; K163-Y217 VanDerWaalsContact CB-CD2 3.45Å; K163-Y217 HydrophobicContact CB-CE1 3.95Å; K163-Y217 HydrophobicContact CB-CE2 3.25Å; K163-Y217 HydrophobicContact CB-CG 3.89Å; K163-Y217 HydrophobicContact CG-CD1 3.96Å; K163-Y217 HydrophobicContact CG-CD2 4.14Å; K163-Y217 HydrophobicContact CG-CE1 3.94Å; K163-Y217 HydrophobicContact CG-CE2 4.14Å; K163-Y217 HydrophobicContact CG-CG 4.05Å; S165-Y217 PolarHBondContact O-N 3.49Å; L166-Y217 WeakPolarHBondContact O-CB 3.13Å; Y217-V245 PolarHBondContact O-N 2.88Å; Y217-A285 HydrophobicContact CD1-CB 3.89Å; Y217-A285 HydrophobicContact CD2-CB 4.13Å; Y217-A285 HydrophobicContact CE1-CB 4.1Å; Y217-A285 HydrophobicContact CE2-CB 4.31Å; Y217-A285 HydrophobicContact CG-CB 3.93Å; Y217-Y291 HydrophobicContact CD1-CD1 4.28Å; Y217-Y291 AromaticContact CD1-CD2 3.82Å; Y217-Y291 HydrophobicContact CD1-CD2 3.82Å; Y217-Y291 HydrophobicContact CD1-CE1 4.12Å; Y217-Y291 AromaticContact CD1-CE2 3.64Å; Y217-Y291 HydrophobicContact CD1-CE2 3.64Å; Y217-Y291 HydrophobicContact CD1-CG 4.14Å; Y217-Y291 AromaticContact CD1-CZ 3.81Å; Y217-Y291 HydrophobicContact CE1-CD1 4.46Å; Y217-Y291 HydrophobicContact CE1-CG 4.5Å; Y217-Y291 HydrophobicContact CG-CE2 4.32Å; Y217-Y291 WeakPolarHBondContact O-CE2 3.37Å; Y217-Y291 PolarHBondContact O-OH 2.82Å
218	F	98.6	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.2	-177.2	-54.2	-72.2	0	0	0	111.8	L166 V167 C168 V245 V247 I266 L281 L284 A285 Y291	L166-F218 HydrophobicContact CD1-CD2 4.11Å; L166-F218 HydrophobicContact CD1-CE2 3.95Å; L166-F218 WeakPolarHBondContact O-CD2 3.37Å; L166-F218 PolarHBondContact O-N 3.29Å; V167-F218 WeakPolarHBondContact CA-O 3.47Å; V167-F218 HydrophobicContact CG2-CB 4.3Å; V167-F218 HydrophobicContact CG2-CD2 4.39Å; C168-F218 PolarHBondContact N-O 3.19Å; F218-V245 VanDerWaalsContact CA-O 3.32Å; F218-V245 WeakPolarHBondContact CA-O 3.22Å; F218-V245 HydrophobicContact CD1-CB 3.78Å; F218-V245 HydrophobicContact CD1-CG1 4.14Å; F218-V245 HydrophobicContact CE1-CB 3.98Å; F218-V245 HydrophobicContact CE1-CG1 4.21Å; F218-V247 HydrophobicContact CB-CG2 3.96Å; F218-V247 HydrophobicContact CD1-CG2 4.2Å; F218-V247 HydrophobicContact CG-CG2 4.32Å; F218-I266 HydrophobicContact CD1-CD1 3.97Å; F218-I266 HydrophobicContact CE1-CD1 3.72Å; F218-L281 HydrophobicContact CD1-CD2 3.72Å; F218-L281 HydrophobicContact CD2-CB 3.95Å; F218-L281 HydrophobicContact CD2-CD1 4.41Å; F218-L281 HydrophobicContact CD2-CD2 3.98Å; F218-L281 HydrophobicContact CD2-CG 4.31Å; F218-L281 HydrophobicContact CE1-CD2 3.78Å; F218-L281 HydrophobicContact CE2-CB 3.78Å; F218-L281 HydrophobicContact CE2-CD2 4.02Å; F218-L281 HydrophobicContact CE2-CG 4.42Å; F218-L281 VanDerWaalsContact CE2-O 3.23Å; F218-L281 WeakPolarHBondContact CE2-O 3.3Å; F218-L281 HydrophobicContact CG-CD1 4.48Å; F218-L281 HydrophobicContact CG-CD2 3.84Å; F218-L281 HydrophobicContact CZ-CB 4.34Å; F218-L281 HydrophobicContact CZ-CD2 3.94Å; F218-L284 HydrophobicContact CE1-CD2 3.65Å; F218-L284 HydrophobicContact CE1-CG 4.32Å; F218-L284 HydrophobicContact CZ-CB 4Å; F218-L284 HydrophobicContact CZ-CD2 3.71Å; F218-L284 HydrophobicContact CZ-CG 3.9Å; F218-A285 HydrophobicContact CE2-CB 4.16Å; F218-Y291 HydrophobicContact CE1-CD2 4.27Å; F218-Y291 HydrophobicContact CE1-CE2 4.17Å; F218-Y291 HydrophobicContact CZ-CD2 4.19Å; F218-Y291 HydrophobicContact CZ-CE2 4.33Å
219	Y	98.8	Very high	96.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.1	170.2	177.8	-101.1	0	0	0	109.9	C168 V170 I213 A221 K234 N238 A239 V245 P246 V247	C168-Y219 WeakPolarHBondContact O-CA 3.34Å; V170-Y219 HydrophobicContact CB-CE2 4.08Å; V170-Y219 HydrophobicContact CG2-CE2 3.9Å; I213-Y219 HydrophobicContact CD1-CD2 3.7Å; I213-Y219 HydrophobicContact CD1-CE2 3.47Å; I213-Y219 VanDerWaalsContact CD1-CE2 3.47Å; I213-Y219 HydrophobicContact CD1-CG 4.38Å; I213-Y219 HydrophobicContact CG1-CD2 3.7Å; I213-Y219 HydrophobicContact CG1-CE2 3.84Å; I213-Y219 HydrophobicContact CG2-CD2 4.05Å; I213-Y219 HydrophobicContact CG2-CG 4.15Å; Y219-A221 HydrophobicContact CD1-CB 4Å; Y219-A221 HydrophobicContact CE1-CB 4.14Å; Y219-A221 PolarHBondContact O-N 3.43Å; Y219-K234 HydrophobicContact CE1-CB 4.47Å; Y219-N238 HydrophobicContact CD1-CB 4.27Å; Y219-N238 HydrophobicContact CE1-CB 3.53Å; Y219-N238 HydrophobicContact CE2-CB 4.45Å; Y219-N238 PolarHBondContact OH-ND2 2.8Å; Y219-A239 HydrophobicContact CD1-CB 3.87Å; Y219-A239 HydrophobicContact CG-CB 4.49Å; Y219-V245 PolarHBondContact N-O 3.44Å; Y219-P246 WeakPolarHBondContact O-CA 3.45Å; Y219-V247 PolarHBondContact O-N 3.47Å
220	L	98.9	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	92.4	174.5	-58.1	-169.6	0	0	0	109.7	V167 C168 W169 L187 V193 F222 V247	V167-L220 HydrophobicContact CG1-CD1 4.08Å; V167-L220 HydrophobicContact CG1-CD2 3.49Å; V167-L220 VanDerWaalsContact CG1-CD2 3.49Å; V167-L220 HydrophobicContact CG1-CG 3.55Å; C168-L220 PolarHBondContact O-N 3.06Å; W169-L220 HydrophobicContact CB-CB 3.99Å; W169-L220 HydrophobicContact CB-CD1 3.92Å; W169-L220 HydrophobicContact CB-CG 4.13Å; W169-L220 VanDerWaalsContact CD1-O 3.27Å; W169-L220 HydrophobicContact CD2-CD1 4.41Å; W169-L220 HydrophobicContact CG-CB 3.85Å; W169-L220 HydrophobicContact CG-CD1 4.02Å; W169-L220 HydrophobicContact CG-CG 4.37Å; L187-L220 HydrophobicContact CD2-CD1 4.12Å; L187-L220 HydrophobicContact CD2-CD2 3.86Å; V193-L220 HydrophobicContact CG1-CD1 4.05Å; L220-F222 HydrophobicContact CB-CD1 4.13Å; L220-F222 HydrophobicContact CB-CD2 4.18Å; L220-F222 HydrophobicContact CB-CE1 4.14Å; L220-F222 HydrophobicContact CB-CE2 4.2Å; L220-F222 HydrophobicContact CB-CG 4.16Å; L220-F222 HydrophobicContact CB-CZ 4.18Å; L220-F222 HydrophobicContact CD1-CD2 4.32Å; L220-F222 HydrophobicContact CD1-CE2 3.77Å; L220-F222 HydrophobicContact CD1-CZ 4.06Å; L220-F222 HydrophobicContact CD2-CE1 4.06Å; L220-F222 HydrophobicContact CD2-CE2 4.36Å; L220-F222 HydrophobicContact CD2-CZ 3.79Å; L220-F222 HydrophobicContact CG-CE2 4.33Å; L220-F222 HydrophobicContact CG-CZ 4.22Å; L220-F222 PolarHBondContact O-N 2.75Å; L220-V247 CarbonylContact C-O 3.53Å; L220-V247 HydrophobicContact CD2-CB 3.82Å; L220-V247 HydrophobicContact CD2-CG1 4.14Å; L220-V247 HydrophobicContact CD2-CG2 4.34Å
221	A	98.6	Very high	97	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	58.1	175.5	0	0	0	0	0	110.7	Y219 K234 P246 V247 V248	Y219-A221 HydrophobicContact CD1-CB 4Å; Y219-A221 HydrophobicContact CE1-CB 4.14Å; Y219-A221 PolarHBondContact O-N 3.43Å; A221-K234 HydrophobicContact CB-CB 3.96Å; A221-P246 HydrophobicContact CB-CB 4.14Å; A221-V247 PolarHBondContact N-O 3.45Å; A221-V248 HydrophobicContact CB-CG1 4.12Å
222	F	98.5	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.3	-174.1	-67	-5.1	0	0	0	112.6	R180 V183 L220 K234 V247 L249 V268	R180-F222 HydrophobicContact CB-CB 3.76Å; R180-F222 HydrophobicContact CB-CD2 3.93Å; R180-F222 HydrophobicContact CB-CG 4.26Å; R180-F222 PolarHBondContact NH1-O 3.38Å; V183-F222 HydrophobicContact CB-CE2 4.2Å; V183-F222 HydrophobicContact CG1-CE2 3.78Å; V183-F222 HydrophobicContact CG1-CZ 3.77Å; L220-F222 HydrophobicContact CB-CD1 4.13Å; L220-F222 HydrophobicContact CB-CD2 4.18Å; L220-F222 HydrophobicContact CB-CE1 4.14Å; L220-F222 HydrophobicContact CB-CE2 4.2Å; L220-F222 HydrophobicContact CB-CG 4.16Å; L220-F222 HydrophobicContact CB-CZ 4.18Å; L220-F222 HydrophobicContact CD1-CD2 4.32Å; L220-F222 HydrophobicContact CD1-CE2 3.77Å; L220-F222 HydrophobicContact CD1-CZ 4.06Å; L220-F222 HydrophobicContact CD2-CE1 4.06Å; L220-F222 HydrophobicContact CD2-CE2 4.36Å; L220-F222 HydrophobicContact CD2-CZ 3.79Å; L220-F222 HydrophobicContact CG-CE2 4.33Å; L220-F222 HydrophobicContact CG-CZ 4.22Å; L220-F222 PolarHBondContact O-N 2.75Å; F222-K234 WeakPolarHBondContact O-CD 3.4Å; F222-K234 WeakPolarHBondContact O-CE 3.31Å; F222-V247 WeakPolarHBondContact CD1-O 3.37Å; F222-V247 HydrophobicContact CE1-CG1 4.09Å; F222-V247 WeakPolarHBondContact CE1-O 3.35Å; F222-V247 HydrophobicContact CZ-CG1 4.5Å; F222-L249 HydrophobicContact CB-CB 4.3Å; F222-L249 HydrophobicContact CD1-CB 3.43Å; F222-L249 VanDerWaalsContact CD1-CB 3.43Å; F222-L249 HydrophobicContact CD1-CD2 4.48Å; F222-L249 HydrophobicContact CD2-CD2 4.24Å; F222-L249 HydrophobicContact CE1-CB 3.79Å; F222-L249 HydrophobicContact CG-CB 3.89Å; F222-L249 HydrophobicContact CG-CD2 4.21Å; F222-V268 HydrophobicContact CE1-CG2 3.78Å; F222-V268 HydrophobicContact CZ-CG2 3.95Å
223	E	97.9	Very high	97.2	Very high	4 Å²	4	28 Å²	28	2%	0.019	14%	0.135	C	C	.	.			trans	-68.5	150.1	177	-57.1	-61.3	174.3	0	0	112.3	R180 S225 Y230 T232 K234 L249	R180-E223 WeakPolarHBondContact CD-O 3.44Å; E223-S225 WeakPolarHBondContact CB-O 3.3Å; E223-S225 PolarHBondContact O-N 3.43Å; E223-Y230 HydrophobicContact CB-CD1 4.2Å; E223-Y230 HydrophobicContact CB-CE1 4.48Å; E223-Y230 HydrophobicContact CG-CD1 4.42Å; E223-Y230 WeakPolarHBondContact CG-O 3.26Å; E223-T232 WeakPolarHBondContact OE1-CB 3.37Å; E223-T232 WeakPolarHBondContact OE1-CG2 3.49Å; E223-T232 PolarHBondContact OE1-N 2.92Å; E223-T232 PolarHBondContact OE1-OG1 2.86Å; E223-T232 VanDerWaalsContact OE2-CG2 3.23Å; E223-T232 WeakPolarHBondContact OE2-CG2 3.45Å; E223-T232 PolarHBondContact OE2-OG1 2.76Å; E223-K234 WeakPolarHBondContact OE2-CD 3.49Å; E223-K234 WeakPolarHBondContact OE2-CE 3.39Å; E223-K234 IonicContact OE2-NZ 3.63Å; E223-K234 PolarHBondContact OE2-NZ 3.41Å; E223-L249 WeakPolarHBondContact CB-O 3.25Å; E223-L249 PolarHBondContact N-O 2.84Å
224	N	95.3	Very high	97.3	Very high	31 Å²	31	29 Å²	29	17%	0.166	14%	0.14	C	C	.	.	S	Bend	trans	-73.3	-15.9	176.1	48.9	-34.1	0	0	0	113.1	H116 Y230	H116-N224 PolarHBondContact CD2-ND2 2.94Å; H116-N224 PolarHBondContact NE2-ND2 3.3Å; N224-Y230 WeakPolarHBondContact OD1-CE1 3.44Å
225	S	94.3	Very high	97.5	Very high	14 Å²	14	26.6 Å²	26.6	10%	0.098	12%	0.123	C	C	.	.	S	Bend	trans	-141.2	144.8	179.4	-61.5	0	0	0	0	109.9	S113 E223 A227	S113-S225 VanDerWaalsContact CB-CB 3.49Å; S113-S225 VanDerWaalsContact OG-CB 3.28Å; S113-S225 WeakPolarHBondContact OG-CB 3.45Å; S113-S225 PolarHBondContact OG-OG 3.2Å; E223-S225 WeakPolarHBondContact CB-O 3.3Å; E223-S225 PolarHBondContact O-N 3.43Å; S225-A227 PolarHBondContact O-N 3.1Å
226	L	95.1	Very high	97.6	Very high	104 Å²	104	19.6 Å²	19.6	55%	0.545	10%	0.096	S	C	.	.			trans	-91.2	91.7	169.6	-49	-179.2	0	0	0	107.2	R179 L249 G250	R179-L226 HydrophobicContact CB-CD1 4.43Å; R179-L226 HydrophobicContact CG-CD1 4.24Å; L226-L249 HydrophobicContact CD2-CD1 4.19Å; L226-L249 HydrophobicContact CD2-CG 4.1Å; L226-G250 VanDerWaalsContact CD2-O 3.31Å; L226-G250 WeakPolarHBondContact CD2-O 2.96Å
227	A	96.3	Very high	97.6	Very high	12 Å²	12	22.3 Å²	22.3	10%	0.099	11%	0.109	C	C	.	.			trans	-132.8	137.5	-176.6	0	0	0	0	0	109.5	S225 D229 Y230 P251	S225-A227 PolarHBondContact O-N 3.1Å; A227-D229 PolarHBondContact O-N 2.7Å; A227-Y230 WeakPolarHBondContact O-CB 3.46Å; A227-Y230 PolarHBondContact O-N 3.33Å; A227-P251 VanDerWaalsContact O-CB 3.32Å; A227-P251 WeakPolarHBondContact O-CB 3.31Å
228	K	97.2	Very high	97.6	Very high	59 Å²	59	19.9 Å²	19.9	26%	0.257	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	134.1	175.6	176.8	-175.1	176.2	-173.9	0	110.9	Y133 D136 Y230 D255	Y133-K228 VanDerWaalsContact CE2-O 3.31Å; Y133-K228 WeakPolarHBondContact CE2-O 3.39Å; D136-K228 IonicContact OD2-NZ 2.8Å; D136-K228 PolarHBondContact OD2-NZ 3.27Å; K228-Y230 PolarHBondContact O-N 2.83Å; K228-D255 WeakPolarHBondContact CA-OD2 3.38Å
229	D	97.8	Very high	97.5	Very high	13 Å²	13	19.9 Å²	19.9	7%	0.07	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	2.3	179.7	-58.6	-28	0	0	0	116.3	Y133 R135 A227 V231 D255	Y133-D229 HydrophobicContact CD2-CB 4.22Å; Y133-D229 WeakPolarHBondContact CD2-O 3.06Å; Y133-D229 HydrophobicContact CE2-CB 4.3Å; R135-D229 IonicContact CZ-OD1 3.03Å; R135-D229 PolarHBondContact N-OD2 2.69Å; R135-D229 VanDerWaalsContact NE-CG 3.32Å; R135-D229 IonicContact NE-OD1 3.24Å; R135-D229 PolarHBondContact NE-OD1 2.85Å; R135-D229 IonicContact NE-OD2 2.64Å; R135-D229 IonicContact NH2-OD1 3.05Å; R135-D229 PolarHBondContact NH2-OD1 3.05Å; A227-D229 PolarHBondContact O-N 2.7Å; D229-V231 VanDerWaalsContact C-N 3.31Å; D229-V231 PolarHBondContact O-N 2.99Å; D229-D255 PolarHBondContact N-OD2 3.26Å
230	Y	97.9	Very high	97.4	Very high	5 Å²	5	19.9 Å²	19.9	2%	0.02	10%	0.1	C	C	.	.			trans	-80	76.1	-171.2	-165.7	-127.8	0	0	0	112.5	L111 Y133 Y143 E223 N224 A227 K228 T232 P251	L111-Y230 WeakPolarHBondContact O-CE2 3.47Å; Y133-Y230 AromaticContact CD1-CD2 3.68Å; Y133-Y230 HydrophobicContact CD1-CD2 3.68Å; Y133-Y230 AromaticContact CD1-CE2 3.96Å; Y133-Y230 HydrophobicContact CD1-CE2 3.96Å; Y133-Y230 AromaticContact CD2-CD2 3.88Å; Y133-Y230 HydrophobicContact CD2-CD2 3.88Å; Y133-Y230 AromaticContact CE1-CD2 3.36Å; Y133-Y230 HydrophobicContact CE1-CD2 3.36Å; Y133-Y230 AromaticContact CE1-CE2 3.74Å; Y133-Y230 HydrophobicContact CE1-CE2 3.74Å; Y133-Y230 HydrophobicContact CE1-CG 4.34Å; Y133-Y230 VanDerWaalsContact CE2-CA 3.5Å; Y133-Y230 AromaticContact CE2-CD2 3.59Å; Y133-Y230 HydrophobicContact CE2-CD2 3.59Å; Y133-Y230 HydrophobicContact CE2-CG 4.04Å; Y133-Y230 AromaticContact CG-CD2 3.94Å; Y133-Y230 HydrophobicContact CG-CD2 3.94Å; Y133-Y230 AromaticContact CZ-CD2 3.31Å; Y133-Y230 AromaticContact CZ-CG 3.89Å; Y143-Y230 HydrophobicContact CE2-CE2 4.05Å; E223-Y230 HydrophobicContact CB-CD1 4.2Å; E223-Y230 HydrophobicContact CB-CE1 4.48Å; E223-Y230 HydrophobicContact CG-CD1 4.42Å; E223-Y230 WeakPolarHBondContact CG-O 3.26Å; N224-Y230 WeakPolarHBondContact OD1-CE1 3.44Å; A227-Y230 WeakPolarHBondContact O-CB 3.46Å; A227-Y230 PolarHBondContact O-N 3.33Å; K228-Y230 PolarHBondContact O-N 2.83Å; Y230-T232 HydrophobicContact CD1-CG2 4.2Å; Y230-T232 HydrophobicContact CD2-CG2 3.9Å; Y230-T232 HydrophobicContact CE1-CG2 3.89Å; Y230-T232 HydrophobicContact CE2-CG2 3.57Å; Y230-T232 HydrophobicContact CG-CG2 4.22Å; Y230-P251 VanDerWaalsContact O-CD 3.32Å; Y230-P251 WeakPolarHBondContact O-CD 3.29Å
231	V	98.3	Very high	97.2	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.055	12%	0.119	C	C	.	.			trans	-112.4	109	178.1	-177.6	0	0	0	0	109.4	D229 L235 P251 Y256 V259	D229-V231 VanDerWaalsContact C-N 3.31Å; D229-V231 PolarHBondContact O-N 2.99Å; V231-L235 HydrophobicContact CG1-CB 3.82Å; V231-L235 HydrophobicContact CG1-CD2 3.33Å; V231-L235 HydrophobicContact CG1-CG 4.19Å; V231-P251 HydrophobicContact CG2-CG 3.75Å; V231-Y256 HydrophobicContact CB-CE1 4.35Å; V231-Y256 HydrophobicContact CG1-CD1 4.1Å; V231-Y256 HydrophobicContact CG1-CE1 3.85Å; V231-Y256 HydrophobicContact CG2-CD1 3.8Å; V231-Y256 HydrophobicContact CG2-CE1 3.68Å; V231-Y256 HydrophobicContact CG2-CG 4.3Å; V231-V259 HydrophobicContact CG2-CG2 4.46Å
232	T	98.1	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.			trans	-106	-165.9	-162.6	72.2	0	0	0	0	114.3	Y143 E223 Y230 K234 L235 W236	Y143-T232 HydrophobicContact CD2-CG2 4.07Å; Y143-T232 HydrophobicContact CE1-CG2 4.33Å; Y143-T232 HydrophobicContact CE2-CG2 3.8Å; Y143-T232 VanDerWaalsContact CG-CA 3.48Å; Y143-T232 HydrophobicContact CG-CG2 4.46Å; E223-T232 WeakPolarHBondContact OE1-CB 3.37Å; E223-T232 WeakPolarHBondContact OE1-CG2 3.49Å; E223-T232 PolarHBondContact OE1-N 2.92Å; E223-T232 PolarHBondContact OE1-OG1 2.86Å; E223-T232 VanDerWaalsContact OE2-CG2 3.23Å; E223-T232 WeakPolarHBondContact OE2-CG2 3.45Å; E223-T232 PolarHBondContact OE2-OG1 2.76Å; Y230-T232 HydrophobicContact CD1-CG2 4.2Å; Y230-T232 HydrophobicContact CD2-CG2 3.9Å; Y230-T232 HydrophobicContact CE1-CG2 3.89Å; Y230-T232 HydrophobicContact CE2-CG2 3.57Å; Y230-T232 HydrophobicContact CG-CG2 4.22Å; T232-K234 PolarHBondContact O-N 3.25Å; T232-K234 PolarHBondContact OG1-N 2.94Å; T232-K234 PolarHBondContact OG1-NZ 2.96Å; T232-L235 PolarHBondContact O-N 3.48Å; T232-W236 PolarHBondContact O-N 3.2Å
233	E	97.6	Very high	96.7	Very high	65 Å²	65	24.4 Å²	24.4	30%	0.304	12%	0.121	S	C	.	.	H	α-helix	trans	-53.4	-22.3	173.3	79.6	-66.3	153.7	0	0	113.3	Y143 L235 W236 H237 N238	Y143-E233 HydrophobicContact CD1-CB 4.48Å; E233-L235 VanDerWaalsContact C-N 3.34Å; E233-L235 PolarHBondContact O-N 2.84Å; E233-W236 PolarHBondContact O-N 3.13Å; E233-H237 HydrophobicContact CB-CB 4.06Å; E233-H237 CarbonylContact O-C 3.58Å; E233-H237 WeakPolarHBondContact O-CA 3.35Å; E233-H237 WeakPolarHBondContact O-CB 3.46Å; E233-H237 PolarHBondContact O-N 3.25Å; E233-N238 PolarHBondContact O-N 2.84Å
234	K	98.3	Very high	96.7	Very high	23 Å²	23	24.2 Å²	24.2	10%	0.1	12%	0.12	C	C	.	.	I	π-helix	trans	-61.7	-41.1	179.4	-66	173.3	-154.5	62.5	0	112.2	Y219 A221 F222 E223 T232 N238 A239	Y219-K234 HydrophobicContact CE1-CB 4.47Å; A221-K234 HydrophobicContact CB-CB 3.96Å; F222-K234 WeakPolarHBondContact O-CD 3.4Å; F222-K234 WeakPolarHBondContact O-CE 3.31Å; E223-K234 WeakPolarHBondContact OE2-CD 3.49Å; E223-K234 WeakPolarHBondContact OE2-CE 3.39Å; E223-K234 IonicContact OE2-NZ 3.63Å; E223-K234 PolarHBondContact OE2-NZ 3.41Å; T232-K234 PolarHBondContact O-N 3.25Å; T232-K234 PolarHBondContact OG1-N 2.94Å; T232-K234 PolarHBondContact OG1-NZ 2.96Å; K234-N238 WeakPolarHBondContact O-CB 3.44Å; K234-A239 WeakPolarHBondContact O-CB 3.39Å; K234-A239 PolarHBondContact O-N 3.24Å; K234-A239 VanDerWaalsContact O-N 3.08Å
235	L	98.6	Very high	96.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	I	π-helix	trans	-75.6	-56	172.7	-177.2	70.9	0	0	0	110	V231 T232 E233 Y240 P246 V248 Y256 A260	V231-L235 HydrophobicContact CG1-CB 3.82Å; V231-L235 HydrophobicContact CG1-CD2 3.33Å; V231-L235 HydrophobicContact CG1-CG 4.19Å; T232-L235 PolarHBondContact O-N 3.48Å; E233-L235 VanDerWaalsContact C-N 3.34Å; E233-L235 PolarHBondContact O-N 2.84Å; L235-Y240 HydrophobicContact CD1-CE1 3.98Å; L235-Y240 HydrophobicContact CD1-CE2 4.18Å; L235-Y240 HydrophobicContact CD2-CE2 4.07Å; L235-Y240 HydrophobicContact CG-CD2 4.3Å; L235-Y240 HydrophobicContact CG-CE2 3.86Å; L235-Y240 PolarHBondContact O-N 2.95Å; L235-P246 HydrophobicContact CD1-CB 3.64Å; L235-P246 HydrophobicContact CD1-CG 3.5Å; L235-P246 VanDerWaalsContact CD1-CG 3.5Å; L235-V248 HydrophobicContact CD1-CG1 3.96Å; L235-Y256 HydrophobicContact CD2-CD1 4.33Å; L235-A260 HydrophobicContact CD2-CB 4.3Å
236	W	98	Very high	97	Very high	5 Å²	5	22.2 Å²	22.2	2%	0.019	11%	0.108	C	C	.	.	I	π-helix	trans	-73.5	-56.5	-165.9	-60.3	113.6	0	0	0	113.4	G144 L146 T232 E233 Y240 K241 V259 V305 V307	G144-W236 VanDerWaalsContact O-CE2 3.31Å; G144-W236 WeakPolarHBondContact O-CZ2 3.43Å; L146-W236 HydrophobicContact CD2-CZ3 3.96Å; L146-W236 HydrophobicContact CG-CZ3 3.99Å; T232-W236 PolarHBondContact O-N 3.2Å; E233-W236 PolarHBondContact O-N 3.13Å; W236-Y240 AromaticContact CE3-CD2 3.82Å; W236-Y240 HydrophobicContact CE3-CD2 3.82Å; W236-Y240 AromaticContact CE3-CE2 3.95Å; W236-Y240 HydrophobicContact CE3-CE2 3.95Å; W236-Y240 HydrophobicContact CZ3-CD2 4.12Å; W236-Y240 AromaticContact CZ3-CE2 3.86Å; W236-Y240 HydrophobicContact CZ3-CE2 3.86Å; W236-K241 PolarHBondContact O-N 3.41Å; W236-V259 WeakPolarHBondContact CH2-O 3.48Å; W236-V259 HydrophobicContact CZ2-CB 4.18Å; W236-V259 HydrophobicContact CZ2-CG2 3.97Å; W236-V305 HydrophobicContact CB-CG1 4.28Å; W236-V305 HydrophobicContact CE3-CG1 4Å; W236-V307 HydrophobicContact CB-CG2 4.2Å
237	H	97.3	Very high	97.2	Very high	57 Å²	57	17.3 Å²	17.3	26%	0.264	8%	0.083	S	C	.	.	I	π-helix	trans	-80.7	-52.7	-177.4	-177.3	-98.2	0	0	0	110.7	L210 E233 K241 V307	L210-H237 VanDerWaalsContact CD2-O 3.23Å; L210-H237 WeakPolarHBondContact CD2-O 3.27Å; E233-H237 HydrophobicContact CB-CB 4.06Å; E233-H237 CarbonylContact O-C 3.58Å; E233-H237 WeakPolarHBondContact O-CA 3.35Å; E233-H237 WeakPolarHBondContact O-CB 3.46Å; E233-H237 PolarHBondContact O-N 3.25Å; H237-K241 VanDerWaalsContact O-CB 3.27Å; H237-K241 WeakPolarHBondContact O-CB 3.31Å; H237-K241 PolarHBondContact O-N 3.32Å; H237-V307 HydrophobicContact CB-CG1 4.27Å; H237-V307 HydrophobicContact CB-CG2 3.98Å
238	N	97.5	Very high	97.3	Very high	13 Å²	13	16.7 Å²	16.7	7%	0.07	8%	0.078	C	C	.	.	I	π-helix	trans	-75.9	-56.6	-168.3	-61.5	-2.4	0	0	0	111.4	L209 I213 Y219 E233 K234 G242	L209-N238 WeakPolarHBondContact CD2-OD1 3.41Å; I213-N238 HydrophobicContact CD1-CB 3.7Å; I213-N238 WeakPolarHBondContact CG2-O 3.46Å; Y219-N238 HydrophobicContact CD1-CB 4.27Å; Y219-N238 HydrophobicContact CE1-CB 3.53Å; Y219-N238 HydrophobicContact CE2-CB 4.45Å; Y219-N238 PolarHBondContact OH-ND2 2.8Å; E233-N238 PolarHBondContact O-N 2.84Å; K234-N238 WeakPolarHBondContact O-CB 3.44Å; N238-G242 WeakPolarHBondContact O-CA 3.27Å; N238-G242 PolarHBondContact O-N 2.99Å
239	A	97.4	Very high	97.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-74.5	-58.7	-176.6	0	0	0	0	0	112.7	Y219 K234 G242 G243 A244 P246	Y219-A239 HydrophobicContact CD1-CB 3.87Å; Y219-A239 HydrophobicContact CG-CB 4.49Å; K234-A239 WeakPolarHBondContact O-CB 3.39Å; K234-A239 PolarHBondContact O-N 3.24Å; K234-A239 VanDerWaalsContact O-N 3.08Å; A239-G242 CarbonylContact O-C 3.5Å; A239-G242 PolarHBondContact O-N 3.39Å; A239-G243 PolarHBondContact O-N 2.93Å; A239-A244 PolarHBondContact O-N 3.38Å; A239-P246 HydrophobicContact CB-CB 3.54Å; A239-P246 HydrophobicContact CB-CG 4.02Å
240	Y	96.3	Very high	97.3	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.008	7%	0.067	C	C	.	.	I	π-helix	trans	-67.9	-45.4	-172.9	-69.8	-21	0	0	0	113.3	L235 W236 G242 G243 P246 A260 S264 W297 K298 V305	L235-Y240 HydrophobicContact CD1-CE1 3.98Å; L235-Y240 HydrophobicContact CD1-CE2 4.18Å; L235-Y240 HydrophobicContact CD2-CE2 4.07Å; L235-Y240 HydrophobicContact CG-CD2 4.3Å; L235-Y240 HydrophobicContact CG-CE2 3.86Å; L235-Y240 PolarHBondContact O-N 2.95Å; W236-Y240 AromaticContact CE3-CD2 3.82Å; W236-Y240 HydrophobicContact CE3-CD2 3.82Å; W236-Y240 AromaticContact CE3-CE2 3.95Å; W236-Y240 HydrophobicContact CE3-CE2 3.95Å; W236-Y240 HydrophobicContact CZ3-CD2 4.12Å; W236-Y240 AromaticContact CZ3-CE2 3.86Å; W236-Y240 HydrophobicContact CZ3-CE2 3.86Å; Y240-G242 VanDerWaalsContact C-N 3.34Å; Y240-G243 PolarHBondContact O-N 3.13Å; Y240-P246 HydrophobicContact CD1-CG 4.05Å; Y240-P246 HydrophobicContact CE1-CG 3.62Å; Y240-A260 VanDerWaalsContact OH-CB 3.3Å; Y240-A260 WeakPolarHBondContact OH-CB 3.36Å; Y240-S264 WeakPolarHBondContact CE1-O 3.31Å; Y240-S264 PolarHBondContact OH-OG 2.73Å; Y240-W297 HydrophobicContact CD1-CH2 4.33Å; Y240-W297 AromaticContact CD1-CZ2 3.66Å; Y240-W297 HydrophobicContact CD1-CZ2 3.66Å; Y240-W297 HydrophobicContact CD2-CH2 4.05Å; Y240-W297 HydrophobicContact CD2-CZ2 4.13Å; Y240-W297 AromaticContact CE1-CZ2 3.92Å; Y240-W297 HydrophobicContact CE1-CZ2 3.92Å; Y240-W297 HydrophobicContact CE2-CZ2 4.4Å; Y240-W297 AromaticContact CG-CH2 3.96Å; Y240-W297 HydrophobicContact CG-CH2 3.96Å; Y240-W297 AromaticContact CG-CZ2 3.76Å; Y240-W297 HydrophobicContact CG-CZ2 3.76Å; Y240-K298 PolarHBondContact O-NZ 2.93Å; Y240-V305 HydrophobicContact CD2-CG2 4.02Å; Y240-V305 HydrophobicContact CG-CG2 4.31Å
241	K	94.4	Very high	97.3	Very high	92 Å²	92	13.7 Å²	13.7	40%	0.4	7%	0.067	S	C	.	.	H	α-helix	trans	-74.8	-25.7	173.6	-60.2	-173.7	163	-173.6	0	112.8	L210 W236 H237 G243 V305 V307	L210-K241 HydrophobicContact CD1-CB 4.09Å; L210-K241 HydrophobicContact CD2-CB 4.47Å; W236-K241 PolarHBondContact O-N 3.41Å; H237-K241 VanDerWaalsContact O-CB 3.27Å; H237-K241 WeakPolarHBondContact O-CB 3.31Å; H237-K241 PolarHBondContact O-N 3.32Å; K241-G243 PolarHBondContact O-N 2.8Å; K241-V305 WeakPolarHBondContact CE-O 3.39Å; K241-V305 HydrophobicContact CG-CB 4.31Å; K241-V305 HydrophobicContact CG-CG1 4.42Å; K241-V307 HydrophobicContact CD-CG2 4.13Å
242	G	94.6	Very high	97.2	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-74.1	-10	172.2	0	0	0	0	0	113.7	S214 N238 A239 Y240 A244	S214-G242 WeakPolarHBondContact CA-O 3.23Å; S214-G242 VanDerWaalsContact CB-O 3.25Å; S214-G242 WeakPolarHBondContact CB-O 3.35Å; S214-G242 PolarHBondContact N-O 3.15Å; N238-G242 WeakPolarHBondContact O-CA 3.27Å; N238-G242 PolarHBondContact O-N 2.99Å; A239-G242 CarbonylContact O-C 3.5Å; A239-G242 PolarHBondContact O-N 3.39Å; Y240-G242 VanDerWaalsContact C-N 3.34Å; G242-A244 VanDerWaalsContact C-N 3.32Å; G242-A244 PolarHBondContact O-N 3.48Å
243	G	93.7	Very high	97.2	Very high	3 Å²	3	19 Å²	19	3%	0.031	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	22.1	175.3	0	0	0	0	0	114.8	H160 K163 A239 Y240 K241	H160-G243 PolarHBondContact ND1-O 2.82Å; K163-G243 PolarHBondContact NZ-O 2.75Å; A239-G243 PolarHBondContact O-N 2.93Å; Y240-G243 PolarHBondContact O-N 3.13Å; K241-G243 PolarHBondContact O-N 2.8Å
244	A	96.3	Very high	97.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-106.3	149.8	172.2	0	0	0	0	0	110.3	I213 C216 A239 G242 P246	I213-A244 HydrophobicContact CG2-CB 3.67Å; C216-A244 WeakPolarHBondContact O-CB 3.37Å; A239-A244 PolarHBondContact O-N 3.38Å; G242-A244 VanDerWaalsContact C-N 3.32Å; G242-A244 PolarHBondContact O-N 3.48Å; A244-P246 WeakPolarHBondContact O-CD 3.19Å
245	V	98	Very high	97.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	121.4	174.8	177.5	0	0	0	0	108.7	Y217 F218 Y219 V247 I266 Y291 Y294 F295	Y217-V245 PolarHBondContact O-N 2.88Å; F218-V245 VanDerWaalsContact CA-O 3.32Å; F218-V245 WeakPolarHBondContact CA-O 3.22Å; F218-V245 HydrophobicContact CD1-CB 3.78Å; F218-V245 HydrophobicContact CD1-CG1 4.14Å; F218-V245 HydrophobicContact CE1-CB 3.98Å; F218-V245 HydrophobicContact CE1-CG1 4.21Å; Y219-V245 PolarHBondContact N-O 3.44Å; V245-V247 PolarHBondContact O-N 2.89Å; V245-I266 HydrophobicContact CG1-CD1 3.78Å; V245-I266 HydrophobicContact CG1-CG1 4.08Å; V245-Y291 HydrophobicContact CB-CE2 4.19Å; V245-Y291 HydrophobicContact CG2-CD2 4.04Å; V245-Y291 HydrophobicContact CG2-CE2 3.43Å; V245-Y291 VanDerWaalsContact CG2-CE2 3.43Å; V245-Y294 HydrophobicContact CG1-CD1 3.5Å; V245-Y294 VanDerWaalsContact CG1-CD1 3.5Å; V245-Y294 HydrophobicContact CG1-CE1 4Å; V245-Y294 HydrophobicContact CG1-CG 3.83Å; V245-Y294 HydrophobicContact CG2-CD1 4.43Å; V245-Y294 HydrophobicContact CG2-CG 3.95Å; V245-F295 HydrophobicContact CG2-CD2 4.48Å; V245-F295 HydrophobicContact CG2-CE1 4.5Å; V245-F295 HydrophobicContact CG2-CE2 3.5Å; V245-F295 VanDerWaalsContact CG2-CE2 3.5Å; V245-F295 HydrophobicContact CG2-CZ 3.52Å
246	P	98.6	Very high	97.1	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.013	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.3	179.1	21.5	-25.3	0	0	0	111.3	Y219 A221 L235 A239 Y240 A244 V248 S264 F265 I266	Y219-P246 WeakPolarHBondContact O-CA 3.45Å; A221-P246 HydrophobicContact CB-CB 4.14Å; L235-P246 HydrophobicContact CD1-CB 3.64Å; L235-P246 HydrophobicContact CD1-CG 3.5Å; L235-P246 VanDerWaalsContact CD1-CG 3.5Å; A239-P246 HydrophobicContact CB-CB 3.54Å; A239-P246 HydrophobicContact CB-CG 4.02Å; Y240-P246 HydrophobicContact CD1-CG 4.05Å; Y240-P246 HydrophobicContact CE1-CG 3.62Å; A244-P246 WeakPolarHBondContact O-CD 3.19Å; P246-V248 HydrophobicContact CB-CG1 3.91Å; P246-S264 VanDerWaalsContact CD-O 3.31Å; P246-S264 WeakPolarHBondContact CD-O 3.3Å; P246-S264 WeakPolarHBondContact CG-O 3.25Å; P246-F265 HydrophobicContact CB-CB 4.41Å; P246-F265 HydrophobicContact CG-CB 3.77Å; P246-F265 WeakPolarHBondContact O-CA 3.33Å; P246-I266 PolarHBondContact O-N 3.49Å
247	V	98.9	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.4	161.1	-175.1	0	0	0	0	107	F218 Y219 L220 A221 F222 V245 I266 V268 L277 L281	F218-V247 HydrophobicContact CB-CG2 3.96Å; F218-V247 HydrophobicContact CD1-CG2 4.2Å; F218-V247 HydrophobicContact CG-CG2 4.32Å; Y219-V247 PolarHBondContact O-N 3.47Å; L220-V247 CarbonylContact C-O 3.53Å; L220-V247 HydrophobicContact CD2-CB 3.82Å; L220-V247 HydrophobicContact CD2-CG1 4.14Å; L220-V247 HydrophobicContact CD2-CG2 4.34Å; A221-V247 PolarHBondContact N-O 3.45Å; F222-V247 WeakPolarHBondContact CD1-O 3.37Å; F222-V247 HydrophobicContact CE1-CG1 4.09Å; F222-V247 WeakPolarHBondContact CE1-O 3.35Å; F222-V247 HydrophobicContact CZ-CG1 4.5Å; V245-V247 PolarHBondContact O-N 2.89Å; V247-I266 CarbonylContact C-O 3.52Å; V247-I266 VanDerWaalsContact CA-O 3.28Å; V247-I266 WeakPolarHBondContact CA-O 3.44Å; V247-I266 HydrophobicContact CG2-CB 4.36Å; V247-I266 HydrophobicContact CG2-CD1 4.41Å; V247-V268 HydrophobicContact CG1-CG2 4.09Å; V247-L277 HydrophobicContact CG1-CD1 4.18Å; V247-L277 HydrophobicContact CG1-CD2 4.05Å; V247-L281 HydrophobicContact CG2-CD1 4.11Å; V247-L281 HydrophobicContact CG2-CD2 3.83Å
248	V	98.8	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.4	-166.4	-58.8	0	0	0	0	112.3	A221 L235 P246 Y256 F265 I266 H267 V268	A221-V248 HydrophobicContact CB-CG1 4.12Å; L235-V248 HydrophobicContact CD1-CG1 3.96Å; P246-V248 HydrophobicContact CB-CG1 3.91Å; V248-Y256 HydrophobicContact CB-CD1 4.26Å; V248-Y256 HydrophobicContact CB-CE1 3.64Å; V248-Y256 HydrophobicContact CB-CE2 4.2Å; V248-Y256 HydrophobicContact CG1-CD1 4.23Å; V248-Y256 HydrophobicContact CG1-CE1 3.74Å; V248-Y256 HydrophobicContact CG2-CD1 4.06Å; V248-Y256 HydrophobicContact CG2-CD2 4.14Å; V248-Y256 HydrophobicContact CG2-CE1 3.89Å; V248-Y256 HydrophobicContact CG2-CE2 3.95Å; V248-Y256 HydrophobicContact CG2-CG 4.19Å; V248-F265 HydrophobicContact CG1-CB 4.12Å; V248-F265 HydrophobicContact CG2-CB 4.5Å; V248-F265 HydrophobicContact CG2-CD2 3.66Å; V248-F265 HydrophobicContact CG2-CE2 4.33Å; V248-F265 HydrophobicContact CG2-CG 4.37Å; V248-I266 PolarHBondContact N-O 2.8Å; V248-H267 HydrophobicContact CG2-CB 3.94Å; V248-V268 WeakPolarHBondContact O-CG2 3.35Å; V248-V268 PolarHBondContact O-N 2.64Å; V248-V268 VanDerWaalsContact O-N 3.11Å
249	L	98.5	Very high	97	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	118.4	172.9	175.6	70.1	0	0	0	107.6	R179 R180 V183 F222 E223 L226 V268	R179-L249 HydrophobicContact CG-CD2 4.24Å; R180-L249 HydrophobicContact CB-CD2 3.97Å; V183-L249 HydrophobicContact CB-CD2 4.23Å; V183-L249 HydrophobicContact CG2-CD2 3.95Å; F222-L249 HydrophobicContact CB-CB 4.3Å; F222-L249 HydrophobicContact CD1-CB 3.43Å; F222-L249 VanDerWaalsContact CD1-CB 3.43Å; F222-L249 HydrophobicContact CD1-CD2 4.48Å; F222-L249 HydrophobicContact CD2-CD2 4.24Å; F222-L249 HydrophobicContact CE1-CB 3.79Å; F222-L249 HydrophobicContact CG-CB 3.89Å; F222-L249 HydrophobicContact CG-CD2 4.21Å; E223-L249 WeakPolarHBondContact CB-O 3.25Å; E223-L249 PolarHBondContact N-O 2.84Å; L226-L249 HydrophobicContact CD2-CD1 4.19Å; L226-L249 HydrophobicContact CD2-CG 4.1Å; L249-V268 HydrophobicContact CB-CG2 4.16Å; L249-V268 HydrophobicContact CD1-CB 4.35Å
250	G	97.2	Very high	96.9	Very high	8 Å²	8	25.9 Å²	25.9	8%	0.082	15%	0.152	C	C	.	.	S	Bend	trans	179.3	-119.7	-174.4	0	0	0	0	0	111.3	L226	L226-G250 VanDerWaalsContact CD2-O 3.31Å; L226-G250 WeakPolarHBondContact CD2-O 2.96Å
251	P	97.1	Very high	96.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.013	16%	0.161	C	C	.	.	S	Bend	trans	-63.3	170.1	170.6	25.6	-33.3	0	0	0	112.6	A227 Y230 V231 D255 Y256 H267	A227-P251 VanDerWaalsContact O-CB 3.32Å; A227-P251 WeakPolarHBondContact O-CB 3.31Å; Y230-P251 VanDerWaalsContact O-CD 3.32Å; Y230-P251 WeakPolarHBondContact O-CD 3.29Å; V231-P251 HydrophobicContact CG2-CG 3.75Å; P251-D255 HydrophobicContact CB-CB 3.76Å; P251-D255 WeakPolarHBondContact CB-OD2 3.4Å; P251-D255 HydrophobicContact CG-CB 4.01Å; P251-Y256 HydrophobicContact CG-CD2 4.06Å; P251-Y256 HydrophobicContact CG-CE2 3.63Å; P251-Y256 WeakPolarHBondContact O-CE2 3.47Å; P251-H267 PolarHBondContact O-NE2 3.3Å; P251-H267 VanDerWaalsContact O-NE2 3.15Å
252	P	96.6	Very high	96.6	Very high	73 Å²	73	30 Å²	30	47%	0.474	18%	0.175	S	C	.	.			trans	-54.5	153.8	170.6	-24.4	34.6	0	0	0	113	S254 D255	P252-S254 PolarHBondContact O-N 3.07Å; P252-D255 WeakPolarHBondContact O-CB 3.34Å; P252-D255 PolarHBondContact O-N 3.07Å
253	I	97.3	Very high	96.5	Very high	48 Å²	48	34.1 Å²	34.1	25%	0.246	19%	0.194	C	C	.	.	H	α-helix	trans	-54.4	-31.5	-178.7	-164.5	174.1	0	0	0	113.7	D255 Y256 K257 F265 H267 E270	I253-D255 PolarHBondContact O-N 3.34Å; I253-Y256 PolarHBondContact O-N 3.45Å; I253-K257 HydrophobicContact CG1-CD 4.5Å; I253-K257 HydrophobicContact CG1-CG 4.42Å; I253-K257 WeakPolarHBondContact O-CG 3.24Å; I253-K257 PolarHBondContact O-N 2.94Å; I253-F265 HydrophobicContact CG1-CE2 4.14Å; I253-F265 HydrophobicContact CG1-CZ 4.47Å; I253-H267 HydrophobicContact CD1-CB 3.95Å; I253-H267 HydrophobicContact CG1-CB 3.98Å; I253-E270 VanDerWaalsContact CD1-CD 3.44Å; I253-E270 HydrophobicContact CD1-CG 3.45Å; I253-E270 VanDerWaalsContact CD1-CG 3.45Å; I253-E270 WeakPolarHBondContact CD1-OE1 3.46Å
254	S	97.3	Very high	96.7	Very high	69 Å²	69	34 Å²	34	48%	0.483	19%	0.193	S	C	.	.	H	α-helix	trans	-59.9	-33.3	177.2	52.1	0	0	0	0	112.9	P252 A258	P252-S254 PolarHBondContact O-N 3.07Å; S254-A258 WeakPolarHBondContact O-CB 3.41Å; S254-A258 PolarHBondContact O-N 3.26Å
255	D	97.6	Very high	96.8	Very high	15 Å²	15	34.6 Å²	34.6	8%	0.08	20%	0.195	C	C	.	.	H	α-helix	trans	-75.1	-39.9	-179	-67.4	0.4	0	0	0	110.4	R135 K228 D229 P251 P252 I253 A258	R135-D255 IonicContact NH2-OD1 3.3Å; R135-D255 PolarHBondContact NH2-OD1 2.6Å; K228-D255 WeakPolarHBondContact CA-OD2 3.38Å; D229-D255 PolarHBondContact N-OD2 3.26Å; P251-D255 HydrophobicContact CB-CB 3.76Å; P251-D255 WeakPolarHBondContact CB-OD2 3.4Å; P251-D255 HydrophobicContact CG-CB 4.01Å; P252-D255 WeakPolarHBondContact O-CB 3.34Å; P252-D255 PolarHBondContact O-N 3.07Å; I253-D255 PolarHBondContact O-N 3.34Å; D255-A258 PolarHBondContact O-N 2.67Å
256	Y	98	Very high	96.8	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-48.1	170.6	-73.3	-82.6	0	0	0	111.4	V231 L235 V248 P251 I253 A258 V259 A260 F265 H267	V231-Y256 HydrophobicContact CB-CE1 4.35Å; V231-Y256 HydrophobicContact CG1-CD1 4.1Å; V231-Y256 HydrophobicContact CG1-CE1 3.85Å; V231-Y256 HydrophobicContact CG2-CD1 3.8Å; V231-Y256 HydrophobicContact CG2-CE1 3.68Å; V231-Y256 HydrophobicContact CG2-CG 4.3Å; L235-Y256 HydrophobicContact CD2-CD1 4.33Å; V248-Y256 HydrophobicContact CB-CD1 4.26Å; V248-Y256 HydrophobicContact CB-CE1 3.64Å; V248-Y256 HydrophobicContact CB-CE2 4.2Å; V248-Y256 HydrophobicContact CG1-CD1 4.23Å; V248-Y256 HydrophobicContact CG1-CE1 3.74Å; V248-Y256 HydrophobicContact CG2-CD1 4.06Å; V248-Y256 HydrophobicContact CG2-CD2 4.14Å; V248-Y256 HydrophobicContact CG2-CE1 3.89Å; V248-Y256 HydrophobicContact CG2-CE2 3.95Å; V248-Y256 HydrophobicContact CG2-CG 4.19Å; P251-Y256 HydrophobicContact CG-CD2 4.06Å; P251-Y256 HydrophobicContact CG-CE2 3.63Å; P251-Y256 WeakPolarHBondContact O-CE2 3.47Å; I253-Y256 PolarHBondContact O-N 3.45Å; Y256-A258 PolarHBondContact O-N 3.16Å; Y256-V259 PolarHBondContact O-N 2.67Å; Y256-V259 VanDerWaalsContact O-N 3.11Å; Y256-A260 WeakPolarHBondContact O-CB 3.46Å; Y256-A260 PolarHBondContact O-N 2.76Å; Y256-F265 VanDerWaalsContact CB-CZ 3.4Å; Y256-F265 HydrophobicContact CG-CE2 4.36Å; Y256-F265 HydrophobicContact CG-CZ 4.46Å; Y256-H267 AromaticContact CD2-CD2 3.53Å; Y256-H267 AromaticContact CD2-NE2 3.81Å; Y256-H267 AromaticContact CE2-CD2 3.71Å; Y256-H267 AromaticContact CE2-NE2 3.71Å
257	K	97.2	Very high	96.8	Very high	103 Å²	103	34.6 Å²	34.6	45%	0.448	20%	0.195	S	C	.	.	H	α-helix	trans	-61	-25.5	178	-72.9	-174.5	177.6	-174.9	0	113.4	I253 V259 F265	I253-K257 HydrophobicContact CG1-CD 4.5Å; I253-K257 HydrophobicContact CG1-CG 4.42Å; I253-K257 WeakPolarHBondContact O-CG 3.24Å; I253-K257 PolarHBondContact O-N 2.94Å; K257-V259 VanDerWaalsContact C-N 3.34Å; K257-F265 HydrophobicContact CG-CZ 3.95Å
258	A	96.9	Very high	96.8	Very high	57 Å²	57	35 Å²	35	47%	0.471	20%	0.197	S	C	.	.	H	α-helix	trans	-77.7	-18.6	179.2	0	0	0	0	0	113.9	S254 D255 Y256	S254-A258 WeakPolarHBondContact O-CB 3.41Å; S254-A258 PolarHBondContact O-N 3.26Å; D255-A258 PolarHBondContact O-N 2.67Å; Y256-A258 PolarHBondContact O-N 3.16Å
259	V	96.2	Very high	96.7	Very high	56 Å²	56	40.1 Å²	40.1	34%	0.339	23%	0.225	S	C	.	.	H	α-helix	trans	-121.3	-23.7	-176.3	-56.9	0	0	0	0	113.4	V231 W236 Y256 K257	V231-V259 HydrophobicContact CG2-CG2 4.46Å; W236-V259 WeakPolarHBondContact CH2-O 3.48Å; W236-V259 HydrophobicContact CZ2-CB 4.18Å; W236-V259 HydrophobicContact CZ2-CG2 3.97Å; Y256-V259 PolarHBondContact O-N 2.67Å; Y256-V259 VanDerWaalsContact O-N 3.11Å; K257-V259 VanDerWaalsContact C-N 3.34Å
260	A	96.1	Very high	96.7	Very high	6 Å²	6	44.8 Å²	44.8	5%	0.05	25%	0.246	C	C	.	.	S	Bend	trans	-113.2	147.9	-179.2	0	0	0	0	0	111.1	L235 Y240 Y256 F265	L235-A260 HydrophobicContact CD2-CB 4.3Å; Y240-A260 VanDerWaalsContact OH-CB 3.3Å; Y240-A260 WeakPolarHBondContact OH-CB 3.36Å; Y256-A260 WeakPolarHBondContact O-CB 3.46Å; Y256-A260 PolarHBondContact O-N 2.76Å; A260-F265 HydrophobicContact CB-CD1 3.9Å; A260-F265 HydrophobicContact CB-CE1 3.92Å
261	P	94.7	Very high	96.7	Very high	30 Å²	30	46.5 Å²	46.5	20%	0.195	25%	0.252	C	S	.	.			trans	-56.7	143.4	175	-22.9	33.5	0	0	0	110.9	L146 S264 W297	L146-P261 HydrophobicContact CD1-CG 3.3Å; P261-S264 WeakPolarHBondContact O-CB 3.34Å; P261-S264 PolarHBondContact O-N 3.09Å; P261-S264 PolarHBondContact O-OG 3.38Å; P261-W297 HydrophobicContact CB-CB 3.74Å; P261-W297 HydrophobicContact CB-CG 4.21Å; P261-W297 HydrophobicContact CG-CB 3.69Å; P261-W297 HydrophobicContact CG-CD2 4.22Å; P261-W297 HydrophobicContact CG-CE3 4.41Å; P261-W297 HydrophobicContact CG-CG 3.93Å
262	E	88.8	Confident	96.7	Very high	152 Å²	152	52 Å²	52	71%	0.71	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	145	167.4	-63.9	-170.6	161.3	0	0	109.8	S264	E262-S264 VanDerWaalsContact C-N 3.29Å; E262-S264 PolarHBondContact O-N 3.45Å
263	H	93.8	Very high	96.8	Very high	88 Å²	88	50.6 Å²	50.6	41%	0.407	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	38.8	-179	-159	72.6	0	0	0	113.8	Y294	H263-Y294 AromaticContact CE1-CD2 3.99Å; H263-Y294 AromaticContact CE1-CE2 3.46Å; H263-Y294 VanDerWaalsContact CE1-CE2 3.46Å; H263-Y294 WeakPolarHBondContact CE1-CE2 3.29Å; H263-Y294 AromaticContact CE1-CZ 3.55Å; H263-Y294 AromaticContact ND1-CZ 3.93Å; H263-Y294 AromaticContact NE2-CD2 3.7Å; H263-Y294 AromaticContact NE2-CE2 3.66Å; H263-Y294 WeakPolarHBondContact O-CA 3.39Å
264	S	96.9	Very high	96.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	27%	0.272	C	S	.	.	S	Bend	trans	-119.6	-4.8	172.2	68.9	0	0	0	0	113.7	Y240 P246 P261 E262	Y240-S264 WeakPolarHBondContact CE1-O 3.31Å; Y240-S264 PolarHBondContact OH-OG 2.73Å; P246-S264 VanDerWaalsContact CD-O 3.31Å; P246-S264 WeakPolarHBondContact CD-O 3.3Å; P246-S264 WeakPolarHBondContact CG-O 3.25Å; P261-S264 WeakPolarHBondContact O-CB 3.34Å; P261-S264 PolarHBondContact O-N 3.09Å; P261-S264 PolarHBondContact O-OG 3.38Å; E262-S264 VanDerWaalsContact C-N 3.29Å; E262-S264 PolarHBondContact O-N 3.45Å
265	F	98.5	Very high	96.9	Very high	12 Å²	12	51.9 Å²	51.9	5%	0.053	27%	0.274	C	S	.	.			trans	-146.7	163.1	178.7	63.7	-92.8	0	0	0	109.7	P246 V248 I253 Y256 K257 A260 H267	P246-F265 HydrophobicContact CB-CB 4.41Å; P246-F265 HydrophobicContact CG-CB 3.77Å; P246-F265 WeakPolarHBondContact O-CA 3.33Å; V248-F265 HydrophobicContact CG1-CB 4.12Å; V248-F265 HydrophobicContact CG2-CB 4.5Å; V248-F265 HydrophobicContact CG2-CD2 3.66Å; V248-F265 HydrophobicContact CG2-CE2 4.33Å; V248-F265 HydrophobicContact CG2-CG 4.37Å; I253-F265 HydrophobicContact CG1-CE2 4.14Å; I253-F265 HydrophobicContact CG1-CZ 4.47Å; Y256-F265 VanDerWaalsContact CB-CZ 3.4Å; Y256-F265 HydrophobicContact CG-CE2 4.36Å; Y256-F265 HydrophobicContact CG-CZ 4.46Å; K257-F265 HydrophobicContact CG-CZ 3.95Å; A260-F265 HydrophobicContact CB-CD1 3.9Å; A260-F265 HydrophobicContact CB-CE1 3.92Å; F265-H267 HydrophobicContact CD2-CB 4.28Å; F265-H267 HydrophobicContact CE2-CB 4.09Å
266	I	98.8	Very high	96.9	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.8	174.7	-61.5	164.4	0	0	0	106.9	F218 V245 P246 V247 V248 F271 L277 Y280 L281 L284 Y294	F218-I266 HydrophobicContact CD1-CD1 3.97Å; F218-I266 HydrophobicContact CE1-CD1 3.72Å; V245-I266 HydrophobicContact CG1-CD1 3.78Å; V245-I266 HydrophobicContact CG1-CG1 4.08Å; P246-I266 PolarHBondContact O-N 3.49Å; V247-I266 CarbonylContact C-O 3.52Å; V247-I266 VanDerWaalsContact CA-O 3.28Å; V247-I266 WeakPolarHBondContact CA-O 3.44Å; V247-I266 HydrophobicContact CG2-CB 4.36Å; V247-I266 HydrophobicContact CG2-CD1 4.41Å; V248-I266 PolarHBondContact N-O 2.8Å; I266-F271 HydrophobicContact CG2-CE2 3.53Å; I266-F271 HydrophobicContact CG2-CZ 3.93Å; I266-L277 HydrophobicContact CG2-CD1 3.8Å; I266-Y280 HydrophobicContact CD1-CD1 4.48Å; I266-Y280 HydrophobicContact CD1-CE1 3.85Å; I266-Y280 HydrophobicContact CG1-CE1 4.27Å; I266-Y280 HydrophobicContact CG2-CE1 4.44Å; I266-L281 HydrophobicContact CD1-CD2 3.68Å; I266-L284 HydrophobicContact CD1-CD2 3.91Å; I266-Y294 HydrophobicContact CD1-CE1 4.25Å; I266-Y294 HydrophobicContact CG1-CE1 3.59Å
267	H	98.6	Very high	97	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134	179.5	-166.3	-76.7	0	0	0	110.4	V248 P251 I253 Y256 F265 D269 E270	V248-H267 HydrophobicContact CG2-CB 3.94Å; P251-H267 PolarHBondContact O-NE2 3.3Å; P251-H267 VanDerWaalsContact O-NE2 3.15Å; I253-H267 HydrophobicContact CD1-CB 3.95Å; I253-H267 HydrophobicContact CG1-CB 3.98Å; Y256-H267 AromaticContact CD2-CD2 3.53Å; Y256-H267 AromaticContact CD2-NE2 3.81Å; Y256-H267 AromaticContact CE2-CD2 3.71Å; Y256-H267 AromaticContact CE2-NE2 3.71Å; F265-H267 HydrophobicContact CD2-CB 4.28Å; F265-H267 HydrophobicContact CE2-CB 4.09Å; H267-D269 IonicContact CE1-OD2 3.79Å; H267-D269 PolarHBondContact CE1-OD2 3.3Å; H267-D269 PolarHBondContact ND1-N 3.05Å; H267-D269 VanDerWaalsContact ND1-N 3.17Å; H267-D269 IonicContact ND1-OD2 2.67Å; H267-D269 PolarHBondContact O-N 2.6Å; H267-E270 HydrophobicContact CB-CG 4.04Å; H267-E270 WeakPolarHBondContact CB-OE2 3.06Å; H267-E270 PolarHBondContact N-OE2 2.79Å; H267-E270 WeakPolarHBondContact O-CB 3.24Å; H267-E270 PolarHBondContact O-N 2.86Å
268	V	98.3	Very high	97	Very high	7 Å²	7	49 Å²	49	4%	0.042	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-57.1	-38.9	-176.5	172.8	0	0	0	0	111.8	V183 F222 V247 V248 L249 E270 F271 L277	V183-V268 HydrophobicContact CG1-CG1 4.04Å; V183-V268 HydrophobicContact CG1-CG2 4.27Å; F222-V268 HydrophobicContact CE1-CG2 3.78Å; F222-V268 HydrophobicContact CZ-CG2 3.95Å; V247-V268 HydrophobicContact CG1-CG2 4.09Å; V248-V268 WeakPolarHBondContact O-CG2 3.35Å; V248-V268 PolarHBondContact O-N 2.64Å; V248-V268 VanDerWaalsContact O-N 3.11Å; L249-V268 HydrophobicContact CB-CG2 4.16Å; L249-V268 HydrophobicContact CD1-CB 4.35Å; V268-E270 PolarHBondContact O-N 2.81Å; V268-F271 PolarHBondContact O-N 2.95Å; V268-L277 HydrophobicContact CB-CD2 4.4Å; V268-L277 HydrophobicContact CG1-CD2 4.26Å; V268-L277 HydrophobicContact CG2-CD2 3.9Å
269	D	96.7	Very high	97.1	Very high	109 Å²	109	49.7 Å²	49.7	58%	0.583	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-76.5	3.4	-178.7	-57.4	-26.4	0	0	0	114.7	H267 F271	H267-D269 IonicContact CE1-OD2 3.79Å; H267-D269 PolarHBondContact CE1-OD2 3.3Å; H267-D269 PolarHBondContact ND1-N 3.05Å; H267-D269 VanDerWaalsContact ND1-N 3.17Å; H267-D269 IonicContact ND1-OD2 2.67Å; H267-D269 PolarHBondContact O-N 2.6Å; D269-F271 PolarHBondContact O-N 3.27Å
270	E	97.6	Very high	97.2	Very high	100 Å²	100	48.9 Å²	48.9	47%	0.467	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-77.4	-8.1	168.9	-69.7	177.4	113.9	0	0	112.7	I253 H267 V268	I253-E270 VanDerWaalsContact CD1-CD 3.44Å; I253-E270 HydrophobicContact CD1-CG 3.45Å; I253-E270 VanDerWaalsContact CD1-CG 3.45Å; I253-E270 WeakPolarHBondContact CD1-OE1 3.46Å; H267-E270 HydrophobicContact CB-CG 4.04Å; H267-E270 WeakPolarHBondContact CB-OE2 3.06Å; H267-E270 PolarHBondContact N-OE2 2.79Å; H267-E270 WeakPolarHBondContact O-CB 3.24Å; H267-E270 PolarHBondContact O-N 2.86Å; V268-E270 PolarHBondContact O-N 2.81Å
271	F	98.3	Very high	97.4	Very high	45 Å²	45	48.6 Å²	48.6	20%	0.197	24%	0.243	C	C	.	.	S	Bend	trans	-113.3	144.6	-176.2	-59.7	-91.4	0	0	0	110.9	I266 V268 D269 S273 L277 Y280	I266-F271 HydrophobicContact CG2-CE2 3.53Å; I266-F271 HydrophobicContact CG2-CZ 3.93Å; V268-F271 PolarHBondContact O-N 2.95Å; D269-F271 PolarHBondContact O-N 3.27Å; F271-S273 PolarHBondContact O-N 3.13Å; F271-L277 HydrophobicContact CB-CB 4.15Å; F271-L277 HydrophobicContact CD1-CB 4.28Å; F271-L277 HydrophobicContact CD2-CB 3.9Å; F271-L277 HydrophobicContact CD2-CD1 3.78Å; F271-L277 HydrophobicContact CD2-CG 4.37Å; F271-L277 HydrophobicContact CE2-CB 4.44Å; F271-L277 HydrophobicContact CE2-CD1 3.54Å; F271-L277 HydrophobicContact CG-CB 3.82Å; F271-L277 HydrophobicContact CG-CD1 4.44Å; F271-L277 HydrophobicContact CZ-CD1 4Å; F271-Y280 VanDerWaalsContact CE1-CB 3.41Å; F271-Y280 AromaticContact CE1-CD1 3.85Å; F271-Y280 HydrophobicContact CE1-CD1 3.85Å; F271-Y280 AromaticContact CE1-CD2 3.9Å; F271-Y280 HydrophobicContact CE1-CD2 3.9Å; F271-Y280 AromaticContact CE1-CG 3.44Å; F271-Y280 HydrophobicContact CE1-CG 3.44Å; F271-Y280 VanDerWaalsContact CE1-CG 3.44Å; F271-Y280 AromaticContact CZ-CD1 3.5Å; F271-Y280 HydrophobicContact CZ-CD1 3.5Å; F271-Y280 HydrophobicContact CZ-CD2 4.2Å; F271-Y280 HydrophobicContact CZ-CE1 4.03Å; F271-Y280 AromaticContact CZ-CG 3.62Å; F271-Y280 HydrophobicContact CZ-CG 3.62Å
272	S	97.4	Very high	97.5	Very high	117 Å²	117	50.5 Å²	50.5	82%	0.818	25%	0.249	S	C	*	.	S	Bend	trans	-66	-19.9	176.3	57	0	0	0	0	113.6
273	S	98.1	Very high	98	Very high	43 Å²	43	49.2 Å²	49.2	30%	0.301	24%	0.238	S	C	.	.	S	Bend	trans	-158.6	161.6	174.1	65.2	0	0	0	0	111.5	F271 R275 E276 L277	F271-S273 PolarHBondContact O-N 3.13Å; S273-R275 PolarHBondContact O-N 3.42Å; S273-E276 PolarHBondContact O-N 2.84Å; S273-E276 VanDerWaalsContact O-N 3.15Å; S273-E276 PolarHBondContact OG-N 2.9Å; S273-L277 PolarHBondContact O-N 2.87Å; S273-L277 VanDerWaalsContact O-N 3.1Å
274	V	98.3	Very high	98.1	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-27.8	175.5	-174.6	0	0	0	0	111.2	V183 E186 L187 L277 G278	V183-V274 HydrophobicContact CG1-CG1 4.14Å; V183-V274 HydrophobicContact CG1-CG2 4.13Å; E186-V274 HydrophobicContact CB-CB 4.06Å; E186-V274 HydrophobicContact CB-CG1 4.07Å; E186-V274 HydrophobicContact CB-CG2 4.36Å; E186-V274 VanDerWaalsContact CD-CB 3.42Å; E186-V274 HydrophobicContact CG-CB 3.8Å; E186-V274 HydrophobicContact CG-CG1 4.25Å; E186-V274 HydrophobicContact CG-CG2 4.34Å; E186-V274 WeakPolarHBondContact OE1-CB 3.38Å; E186-V274 WeakPolarHBondContact OE2-CG2 3.36Å; L187-V274 HydrophobicContact CB-CG1 3.59Å; L187-V274 HydrophobicContact CD1-CG1 4.06Å; L187-V274 HydrophobicContact CG-CG1 4.39Å; V274-L277 WeakPolarHBondContact O-CB 3.38Å; V274-L277 PolarHBondContact O-N 3.12Å; V274-G278 PolarHBondContact O-N 2.85Å
275	R	98.1	Very high	98.1	Very high	137 Å²	137	45.8 Å²	45.8	52%	0.517	22%	0.224	S	C	.	.	H	α-helix	trans	-61.2	-44.6	170.7	-179.3	-178.4	-72.8	-89.8	3.2	111.8	T190 S273 G278 K279	T190-R275 HydrophobicContact CG2-CG 4.29Å; S273-R275 PolarHBondContact O-N 3.42Å; R275-G278 PolarHBondContact O-N 2.82Å; R275-K279 WeakPolarHBondContact O-CG 3.45Å; R275-K279 PolarHBondContact O-N 3.11Å
276	E	98.6	Very high	98	Very high	57 Å²	57	53 Å²	53	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-67.8	-36.4	177.3	-72.1	-50.6	126.5	0	0	112.1	S273 K279 Y280	S273-E276 PolarHBondContact O-N 2.84Å; S273-E276 VanDerWaalsContact O-N 3.15Å; S273-E276 PolarHBondContact OG-N 2.9Å; E276-K279 PolarHBondContact O-N 3.27Å; E276-K279 WeakPolarHBondContact OE1-CE 3.47Å; E276-K279 IonicContact OE1-NZ 2.72Å; E276-K279 PolarHBondContact OE1-NZ 2.87Å; E276-Y280 WeakPolarHBondContact O-CB 3.42Å; E276-Y280 PolarHBondContact O-N 3.2Å
277	L	98.7	Very high	97.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56	-50.2	167.2	169.3	64	0	0	0	110.8	L187 V247 I266 V268 F271 S273 V274 K279 Y280 L281	L187-L277 HydrophobicContact CD1-CD2 4.46Å; L187-L277 HydrophobicContact CD1-CG 4.35Å; V247-L277 HydrophobicContact CG1-CD1 4.18Å; V247-L277 HydrophobicContact CG1-CD2 4.05Å; I266-L277 HydrophobicContact CG2-CD1 3.8Å; V268-L277 HydrophobicContact CB-CD2 4.4Å; V268-L277 HydrophobicContact CG1-CD2 4.26Å; V268-L277 HydrophobicContact CG2-CD2 3.9Å; F271-L277 HydrophobicContact CB-CB 4.15Å; F271-L277 HydrophobicContact CD1-CB 4.28Å; F271-L277 HydrophobicContact CD2-CB 3.9Å; F271-L277 HydrophobicContact CD2-CD1 3.78Å; F271-L277 HydrophobicContact CD2-CG 4.37Å; F271-L277 HydrophobicContact CE2-CB 4.44Å; F271-L277 HydrophobicContact CE2-CD1 3.54Å; F271-L277 HydrophobicContact CG-CB 3.82Å; F271-L277 HydrophobicContact CG-CD1 4.44Å; F271-L277 HydrophobicContact CZ-CD1 4Å; S273-L277 PolarHBondContact O-N 2.87Å; S273-L277 VanDerWaalsContact O-N 3.1Å; V274-L277 WeakPolarHBondContact O-CB 3.38Å; V274-L277 PolarHBondContact O-N 3.12Å; L277-K279 PolarHBondContact O-N 3.48Å; L277-Y280 WeakPolarHBondContact O-CB 3.2Å; L277-Y280 PolarHBondContact O-N 3.26Å; L277-Y280 VanDerWaalsContact O-N 3.1Å; L277-L281 HydrophobicContact CD1-CD1 4.27Å; L277-L281 HydrophobicContact CD1-CD2 4.12Å; L277-L281 HydrophobicContact CD1-CG 4.05Å; L277-L281 HydrophobicContact CG-CD1 4.38Å; L277-L281 HydrophobicContact CG-CG 4.48Å; L277-L281 WeakPolarHBondContact O-CG 3.42Å; L277-L281 PolarHBondContact O-N 3.1Å
278	G	98.6	Very high	97.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-56.4	-47.9	178.9	0	0	0	0	0	113.3	V191 V274 R275 Y280 L281 Q282	V191-G278 VanDerWaalsContact CG1-O 3.28Å; V191-G278 WeakPolarHBondContact CG1-O 3.31Å; V274-G278 PolarHBondContact O-N 2.85Å; R275-G278 PolarHBondContact O-N 2.82Å; G278-Y280 VanDerWaalsContact C-N 3.3Å; G278-Y280 PolarHBondContact O-N 3.04Å; G278-L281 PolarHBondContact O-N 3.24Å; G278-Q282 PolarHBondContact O-N 3.42Å; G278-Q282 VanDerWaalsContact O-N 3.13Å
279	K	98.4	Very high	97.3	Very high	72 Å²	72	69.7 Å²	69.7	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-37.7	175.7	-67.2	176.5	-175.3	168	0	112.3	R275 E276 L277 R283	R275-K279 WeakPolarHBondContact O-CG 3.45Å; R275-K279 PolarHBondContact O-N 3.11Å; E276-K279 PolarHBondContact O-N 3.27Å; E276-K279 WeakPolarHBondContact OE1-CE 3.47Å; E276-K279 IonicContact OE1-NZ 2.72Å; E276-K279 PolarHBondContact OE1-NZ 2.87Å; L277-K279 PolarHBondContact O-N 3.48Å; K279-R283 WeakPolarHBondContact O-CG 3.48Å; K279-R283 PolarHBondContact O-N 2.86Å; K279-R283 VanDerWaalsContact O-N 3.16Å
280	Y	98.6	Very high	97.2	Very high	39 Å²	39	69.8 Å²	69.8	15%	0.153	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-45.6	175.7	175.4	-93.2	0	0	0	111.7	I266 F271 E276 L277 G278 Q282 R283 L284 Y294	I266-Y280 HydrophobicContact CD1-CD1 4.48Å; I266-Y280 HydrophobicContact CD1-CE1 3.85Å; I266-Y280 HydrophobicContact CG1-CE1 4.27Å; I266-Y280 HydrophobicContact CG2-CE1 4.44Å; F271-Y280 VanDerWaalsContact CE1-CB 3.41Å; F271-Y280 AromaticContact CE1-CD1 3.85Å; F271-Y280 HydrophobicContact CE1-CD1 3.85Å; F271-Y280 AromaticContact CE1-CD2 3.9Å; F271-Y280 HydrophobicContact CE1-CD2 3.9Å; F271-Y280 AromaticContact CE1-CG 3.44Å; F271-Y280 HydrophobicContact CE1-CG 3.44Å; F271-Y280 VanDerWaalsContact CE1-CG 3.44Å; F271-Y280 AromaticContact CZ-CD1 3.5Å; F271-Y280 HydrophobicContact CZ-CD1 3.5Å; F271-Y280 HydrophobicContact CZ-CD2 4.2Å; F271-Y280 HydrophobicContact CZ-CE1 4.03Å; F271-Y280 AromaticContact CZ-CG 3.62Å; F271-Y280 HydrophobicContact CZ-CG 3.62Å; E276-Y280 WeakPolarHBondContact O-CB 3.42Å; E276-Y280 PolarHBondContact O-N 3.2Å; L277-Y280 WeakPolarHBondContact O-CB 3.2Å; L277-Y280 PolarHBondContact O-N 3.26Å; L277-Y280 VanDerWaalsContact O-N 3.1Å; G278-Y280 VanDerWaalsContact C-N 3.3Å; G278-Y280 PolarHBondContact O-N 3.04Å; Y280-Q282 VanDerWaalsContact C-N 3.34Å; Y280-Q282 PolarHBondContact O-N 2.87Å; Y280-R283 PolarHBondContact O-N 2.82Å; Y280-L284 HydrophobicContact CE1-CB 4.4Å; Y280-L284 HydrophobicContact CE1-CD2 3.7Å; Y280-L284 VanDerWaalsContact O-CB 3.3Å; Y280-L284 WeakPolarHBondContact O-CB 3.24Å; Y280-L284 PolarHBondContact O-N 2.9Å; Y280-Y294 PolarHBondContact OH-OH 2.83Å
281	L	98.7	Very high	97.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-41.4	178	-62.1	-178.2	0	0	0	112.1	V167 L187 F218 V247 I266 L277 G278 L284 A285	V167-L281 HydrophobicContact CG2-CD1 3.98Å; L187-L281 HydrophobicContact CD1-CD1 4.43Å; F218-L281 HydrophobicContact CD1-CD2 3.72Å; F218-L281 HydrophobicContact CD2-CB 3.95Å; F218-L281 HydrophobicContact CD2-CD1 4.41Å; F218-L281 HydrophobicContact CD2-CD2 3.98Å; F218-L281 HydrophobicContact CD2-CG 4.31Å; F218-L281 HydrophobicContact CE1-CD2 3.78Å; F218-L281 HydrophobicContact CE2-CB 3.78Å; F218-L281 HydrophobicContact CE2-CD2 4.02Å; F218-L281 HydrophobicContact CE2-CG 4.42Å; F218-L281 VanDerWaalsContact CE2-O 3.23Å; F218-L281 WeakPolarHBondContact CE2-O 3.3Å; F218-L281 HydrophobicContact CG-CD1 4.48Å; F218-L281 HydrophobicContact CG-CD2 3.84Å; F218-L281 HydrophobicContact CZ-CB 4.34Å; F218-L281 HydrophobicContact CZ-CD2 3.94Å; V247-L281 HydrophobicContact CG2-CD1 4.11Å; V247-L281 HydrophobicContact CG2-CD2 3.83Å; I266-L281 HydrophobicContact CD1-CD2 3.68Å; L277-L281 HydrophobicContact CD1-CD1 4.27Å; L277-L281 HydrophobicContact CD1-CD2 4.12Å; L277-L281 HydrophobicContact CD1-CG 4.05Å; L277-L281 HydrophobicContact CG-CD1 4.38Å; L277-L281 HydrophobicContact CG-CG 4.48Å; L277-L281 WeakPolarHBondContact O-CG 3.42Å; L277-L281 PolarHBondContact O-N 3.1Å; G278-L281 PolarHBondContact O-N 3.24Å; L281-L284 PolarHBondContact O-N 3.38Å; L281-A285 PolarHBondContact O-N 3.41Å
282	Q	98.1	Very high	96.8	Very high	71 Å²	71	65.5 Å²	65.5	33%	0.332	30%	0.302	S	S	.	.	H	α-helix	trans	-59.1	-55.1	175.1	-76.2	172.3	-28.8	0	0	111.7	L166 T190 V191 G278 Y280 L284 A285 E286	L166-Q282 HydrophobicContact CD2-CG 3.88Å; T190-Q282 PolarHBondContact O-NE2 2.85Å; V191-Q282 HydrophobicContact CG1-CG 3.68Å; G278-Q282 PolarHBondContact O-N 3.42Å; G278-Q282 VanDerWaalsContact O-N 3.13Å; Y280-Q282 VanDerWaalsContact C-N 3.34Å; Y280-Q282 PolarHBondContact O-N 2.87Å; Q282-L284 VanDerWaalsContact C-N 3.26Å; Q282-L284 PolarHBondContact O-N 3.26Å; Q282-A285 PolarHBondContact O-N 3.34Å; Q282-A285 VanDerWaalsContact O-N 3.15Å; Q282-E286 PolarHBondContact O-N 3.3Å
283	R	98	Very high	96.7	Very high	125 Å²	125	63.1 Å²	63.1	47%	0.472	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-37.5	179.4	-69.3	-173.8	-62.3	-102.3	0.8	112.5	K279 Y280 E286 D287	K279-R283 WeakPolarHBondContact O-CG 3.48Å; K279-R283 PolarHBondContact O-N 2.86Å; K279-R283 VanDerWaalsContact O-N 3.16Å; Y280-R283 PolarHBondContact O-N 2.82Å; R283-E286 PolarHBondContact O-N 2.73Å; R283-D287 PolarHBondContact O-N 3.3Å
284	L	97.5	Very high	96.5	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-36.5	179.1	-177.8	60.7	0	0	0	111.9	F218 I266 Y280 L281 Q282 E286 D287 R290 Y291 Y294	F218-L284 HydrophobicContact CE1-CD2 3.65Å; F218-L284 HydrophobicContact CE1-CG 4.32Å; F218-L284 HydrophobicContact CZ-CB 4Å; F218-L284 HydrophobicContact CZ-CD2 3.71Å; F218-L284 HydrophobicContact CZ-CG 3.9Å; I266-L284 HydrophobicContact CD1-CD2 3.91Å; Y280-L284 HydrophobicContact CE1-CB 4.4Å; Y280-L284 HydrophobicContact CE1-CD2 3.7Å; Y280-L284 VanDerWaalsContact O-CB 3.3Å; Y280-L284 WeakPolarHBondContact O-CB 3.24Å; Y280-L284 PolarHBondContact O-N 2.9Å; L281-L284 PolarHBondContact O-N 3.38Å; Q282-L284 VanDerWaalsContact C-N 3.26Å; Q282-L284 PolarHBondContact O-N 3.26Å; L284-E286 VanDerWaalsContact C-N 3.29Å; L284-E286 PolarHBondContact O-N 3.41Å; L284-D287 CarbonylContact O-C 3.46Å; L284-D287 PolarHBondContact O-N 3.05Å; L284-D287 VanDerWaalsContact O-O 3.13Å; L284-R290 HydrophobicContact CD1-CB 3.68Å; L284-Y291 HydrophobicContact CG-CD2 4.47Å; L284-Y294 HydrophobicContact CD1-CE2 4.14Å; L284-Y294 HydrophobicContact CD2-CD2 4.09Å; L284-Y294 HydrophobicContact CD2-CE2 3.52Å; L284-Y294 HydrophobicContact CG-CE2 4.47Å
285	A	96.3	Very high	96.3	Very high	15 Å²	15	61.6 Å²	61.6	12%	0.124	27%	0.265	C	S	.	.	H	α-helix	trans	-69.1	-26.7	175.5	0	0	0	0	0	113.2	L166 Y217 F218 L281 Q282	L166-A285 HydrophobicContact CD1-CB 3.42Å; L166-A285 VanDerWaalsContact CD1-CB 3.42Å; Y217-A285 HydrophobicContact CD1-CB 3.89Å; Y217-A285 HydrophobicContact CD2-CB 4.13Å; Y217-A285 HydrophobicContact CE1-CB 4.1Å; Y217-A285 HydrophobicContact CE2-CB 4.31Å; Y217-A285 HydrophobicContact CG-CB 3.93Å; F218-A285 HydrophobicContact CE2-CB 4.16Å; L281-A285 PolarHBondContact O-N 3.41Å; Q282-A285 PolarHBondContact O-N 3.34Å; Q282-A285 VanDerWaalsContact O-N 3.15Å
286	E	95.8	Very high	96	Very high	162 Å²	162	57.2 Å²	57.2	76%	0.757	25%	0.252	S	S	*	.	H	α-helix	trans	-78.2	-25.4	174.7	-68.4	168	-177.8	0	0	112.5	Q282 R283 L284	Q282-E286 PolarHBondContact O-N 3.3Å; R283-E286 PolarHBondContact O-N 2.73Å; L284-E286 VanDerWaalsContact C-N 3.29Å; L284-E286 PolarHBondContact O-N 3.41Å
287	D	96	Very high	95.5	Very high	61 Å²	61	55.1 Å²	55.1	33%	0.326	24%	0.241	S	C	.	.			trans	-98.6	88.2	176.6	-170	-29.5	0	0	0	111.1	R283 L284 K289 R290 Y291	R283-D287 PolarHBondContact O-N 3.3Å; L284-D287 CarbonylContact O-C 3.46Å; L284-D287 PolarHBondContact O-N 3.05Å; L284-D287 VanDerWaalsContact O-O 3.13Å; D287-K289 PolarHBondContact O-N 2.69Å; D287-K289 PolarHBondContact OD1-N 3.13Å; D287-K289 VanDerWaalsContact OD1-N 3.16Å; D287-R290 HydrophobicContact CB-CB 4.13Å; D287-R290 HydrophobicContact CB-CG 4.39Å; D287-R290 VanDerWaalsContact CG-CG 3.49Å; D287-R290 PolarHBondContact O-N 3Å; D287-R290 PolarHBondContact OD1-N 2.88Å; D287-R290 WeakPolarHBondContact OD2-CD 3.45Å; D287-R290 VanDerWaalsContact OD2-CG 3.24Å; D287-R290 WeakPolarHBondContact OD2-CG 3.42Å; D287-Y291 WeakPolarHBondContact O-CB 3.38Å; D287-Y291 PolarHBondContact O-N 3.24Å
288	R	91.7	Very high	94.9	Very high	144 Å²	144	56.7 Å²	56.7	54%	0.543	25%	0.248	S	C	.	.	H	α-helix	trans	-52.8	-40.8	179.7	179.4	174.6	172.4	141.8	3.2	112.9	Y291 E292	R288-Y291 PolarHBondContact O-N 2.8Å; R288-E292 HydrophobicContact CG-CG 4.39Å; R288-E292 IonicContact CZ-OE1 3.48Å; R288-E292 VanDerWaalsContact CZ-OE1 3.23Å; R288-E292 IonicContact NE-OE1 2.7Å; R288-E292 PolarHBondContact NE-OE1 3.18Å; R288-E292 IonicContact NH2-OE1 3.11Å; R288-E292 PolarHBondContact NH2-OE1 3.2Å; R288-E292 WeakPolarHBondContact O-CB 3.32Å; R288-E292 VanDerWaalsContact O-CG 3.31Å; R288-E292 WeakPolarHBondContact O-CG 3.46Å; R288-E292 PolarHBondContact O-N 3.42Å
289	K	93.1	Very high	94	Very high	157 Å²	157	61 Å²	61	68%	0.683	27%	0.267	S	S	*	.	H	α-helix	trans	-65.8	-48.9	-176.5	-177.6	-177.1	174.9	-174.8	0	110.2	D287 Y291 E292 E293	D287-K289 PolarHBondContact O-N 2.69Å; D287-K289 PolarHBondContact OD1-N 3.13Å; D287-K289 VanDerWaalsContact OD1-N 3.16Å; K289-Y291 VanDerWaalsContact C-N 3.35Å; K289-E292 PolarHBondContact O-N 2.87Å; K289-E293 WeakPolarHBondContact O-CG 3.4Å; K289-E293 PolarHBondContact O-N 3.18Å
290	R	95.6	Very high	93	Very high	111 Å²	111	64.3 Å²	64.3	42%	0.419	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-36.6	177.6	-69.6	-178.6	70.1	-169.1	1.5	112.4	L284 D287 E293	L284-R290 HydrophobicContact CD1-CB 3.68Å; D287-R290 HydrophobicContact CB-CB 4.13Å; D287-R290 HydrophobicContact CB-CG 4.39Å; D287-R290 VanDerWaalsContact CG-CG 3.49Å; D287-R290 PolarHBondContact O-N 3Å; D287-R290 PolarHBondContact OD1-N 2.88Å; D287-R290 WeakPolarHBondContact OD2-CD 3.45Å; D287-R290 VanDerWaalsContact OD2-CG 3.24Å; D287-R290 WeakPolarHBondContact OD2-CG 3.42Å; R290-E293 WeakPolarHBondContact O-CB 3.49Å; R290-E293 PolarHBondContact O-N 3.02Å
291	Y	95.4	Very high	91.8	Very high	4 Å²	4	69.4 Å²	69.4	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-44	174.7	176.8	-97	0	0	0	111.7	H160 K163 Y217 F218 V245 L284 D287 R288 K289 E293 Y294 F295	H160-Y291 HydrophobicContact CB-CE1 4.4Å; K163-Y291 VanDerWaalsContact CE-OH 3.3Å; K163-Y291 WeakPolarHBondContact CE-OH 3.43Å; Y217-Y291 HydrophobicContact CD1-CD1 4.28Å; Y217-Y291 AromaticContact CD1-CD2 3.82Å; Y217-Y291 HydrophobicContact CD1-CD2 3.82Å; Y217-Y291 HydrophobicContact CD1-CE1 4.12Å; Y217-Y291 AromaticContact CD1-CE2 3.64Å; Y217-Y291 HydrophobicContact CD1-CE2 3.64Å; Y217-Y291 HydrophobicContact CD1-CG 4.14Å; Y217-Y291 AromaticContact CD1-CZ 3.81Å; Y217-Y291 HydrophobicContact CE1-CD1 4.46Å; Y217-Y291 HydrophobicContact CE1-CG 4.5Å; Y217-Y291 HydrophobicContact CG-CE2 4.32Å; Y217-Y291 WeakPolarHBondContact O-CE2 3.37Å; Y217-Y291 PolarHBondContact O-OH 2.82Å; F218-Y291 HydrophobicContact CE1-CD2 4.27Å; F218-Y291 HydrophobicContact CE1-CE2 4.17Å; F218-Y291 HydrophobicContact CZ-CD2 4.19Å; F218-Y291 HydrophobicContact CZ-CE2 4.33Å; V245-Y291 HydrophobicContact CB-CE2 4.19Å; V245-Y291 HydrophobicContact CG2-CD2 4.04Å; V245-Y291 HydrophobicContact CG2-CE2 3.43Å; V245-Y291 VanDerWaalsContact CG2-CE2 3.43Å; L284-Y291 HydrophobicContact CG-CD2 4.47Å; D287-Y291 WeakPolarHBondContact O-CB 3.38Å; D287-Y291 PolarHBondContact O-N 3.24Å; R288-Y291 PolarHBondContact O-N 2.8Å; K289-Y291 VanDerWaalsContact C-N 3.35Å; Y291-E293 PolarHBondContact O-N 2.9Å; Y291-Y294 WeakPolarHBondContact O-CB 3.47Å; Y291-Y294 PolarHBondContact O-N 2.9Å; Y291-F295 HydrophobicContact CD1-CE2 4.26Å; Y291-F295 HydrophobicContact CE1-CD2 4.44Å; Y291-F295 AromaticContact CE1-CE2 3.57Å; Y291-F295 HydrophobicContact CE1-CE2 3.57Å; Y291-F295 HydrophobicContact CE1-CZ 4.34Å; Y291-F295 HydrophobicContact CE2-CE2 4.31Å; Y291-F295 AromaticContact CZ-CE2 3.59Å; Y291-F295 WeakPolarHBondContact OH-CZ 3.15Å
292	E	92.4	Very high	91	Very high	50 Å²	50	73.2 Å²	73.2	23%	0.234	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-24.1	178.8	-74.9	179.5	-178.1	0	0	113.2	R288 K289 Y294 F295	R288-E292 HydrophobicContact CG-CG 4.39Å; R288-E292 IonicContact CZ-OE1 3.48Å; R288-E292 VanDerWaalsContact CZ-OE1 3.23Å; R288-E292 IonicContact NE-OE1 2.7Å; R288-E292 PolarHBondContact NE-OE1 3.18Å; R288-E292 IonicContact NH2-OE1 3.11Å; R288-E292 PolarHBondContact NH2-OE1 3.2Å; R288-E292 WeakPolarHBondContact O-CB 3.32Å; R288-E292 VanDerWaalsContact O-CG 3.31Å; R288-E292 WeakPolarHBondContact O-CG 3.46Å; R288-E292 PolarHBondContact O-N 3.42Å; K289-E292 PolarHBondContact O-N 2.87Å; E292-Y294 PolarHBondContact O-N 3.39Å; E292-F295 PolarHBondContact O-N 3.3Å
293	E	93.9	Very high	90.6	Very high	68 Å²	68	74.2 Å²	74.2	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-29.6	176.6	-72.7	169.1	177.7	0	0	112.8	K289 R290 Y291 F295 N296	K289-E293 WeakPolarHBondContact O-CG 3.4Å; K289-E293 PolarHBondContact O-N 3.18Å; R290-E293 WeakPolarHBondContact O-CB 3.49Å; R290-E293 PolarHBondContact O-N 3.02Å; Y291-E293 PolarHBondContact O-N 2.9Å; E293-F295 PolarHBondContact O-N 3.38Å; E293-F295 VanDerWaalsContact O-N 3.11Å; E293-N296 WeakPolarHBondContact CA-ND2 3.5Å; E293-N296 VanDerWaalsContact O-CB 3.26Å; E293-N296 WeakPolarHBondContact O-CB 3.41Å; E293-N296 PolarHBondContact O-N 3.28Å; E293-N296 VanDerWaalsContact O-N 3.08Å; E293-N296 PolarHBondContact O-ND2 3.35Å
294	Y	95.6	Very high	90.2	Very high	14 Å²	14	72.7 Å²	72.7	6%	0.055	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.4	175.5	-81	-92.6	0	0	0	114.3	V245 H263 I266 Y280 L284 Y291 E292 W297	V245-Y294 HydrophobicContact CG1-CD1 3.5Å; V245-Y294 VanDerWaalsContact CG1-CD1 3.5Å; V245-Y294 HydrophobicContact CG1-CE1 4Å; V245-Y294 HydrophobicContact CG1-CG 3.83Å; V245-Y294 HydrophobicContact CG2-CD1 4.43Å; V245-Y294 HydrophobicContact CG2-CG 3.95Å; H263-Y294 AromaticContact CE1-CD2 3.99Å; H263-Y294 AromaticContact CE1-CE2 3.46Å; H263-Y294 VanDerWaalsContact CE1-CE2 3.46Å; H263-Y294 WeakPolarHBondContact CE1-CE2 3.29Å; H263-Y294 AromaticContact CE1-CZ 3.55Å; H263-Y294 AromaticContact ND1-CZ 3.93Å; H263-Y294 AromaticContact NE2-CD2 3.7Å; H263-Y294 AromaticContact NE2-CE2 3.66Å; H263-Y294 WeakPolarHBondContact O-CA 3.39Å; I266-Y294 HydrophobicContact CD1-CE1 4.25Å; I266-Y294 HydrophobicContact CG1-CE1 3.59Å; Y280-Y294 PolarHBondContact OH-OH 2.83Å; L284-Y294 HydrophobicContact CD1-CE2 4.14Å; L284-Y294 HydrophobicContact CD2-CD2 4.09Å; L284-Y294 HydrophobicContact CD2-CE2 3.52Å; L284-Y294 HydrophobicContact CG-CE2 4.47Å; Y291-Y294 WeakPolarHBondContact O-CB 3.47Å; Y291-Y294 PolarHBondContact O-N 2.9Å; E292-Y294 PolarHBondContact O-N 3.39Å; Y294-W297 PolarHBondContact O-NE1 3.49Å
295	F	92.7	Very high	90	Very high	4 Å²	4	73.6 Å²	73.6	2%	0.018	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	4.6	178.1	-58.7	-82.1	0	0	0	112.9	H160 V245 Y291 E292 E293 W297 K298 K299	H160-F295 AromaticContact CE1-CD1 3.35Å; H160-F295 WeakPolarHBondContact CE1-CD1 3.36Å; H160-F295 AromaticContact CE1-CD2 3.78Å; H160-F295 AromaticContact CE1-CE1 3.39Å; H160-F295 WeakPolarHBondContact CE1-CE1 3.15Å; H160-F295 AromaticContact CE1-CE2 3.82Å; H160-F295 AromaticContact CE1-CG 3.54Å; H160-F295 AromaticContact CE1-CZ 3.62Å; H160-F295 AromaticContact ND1-CE2 3.93Å; H160-F295 AromaticContact ND1-CZ 3.83Å; H160-F295 AromaticContact NE2-CD1 3.69Å; H160-F295 AromaticContact NE2-CD2 3.79Å; H160-F295 AromaticContact NE2-CG 3.46Å; H160-F295 WeakPolarHBondContact NE2-CG 3.48Å; V245-F295 HydrophobicContact CG2-CD2 4.48Å; V245-F295 HydrophobicContact CG2-CE1 4.5Å; V245-F295 HydrophobicContact CG2-CE2 3.5Å; V245-F295 VanDerWaalsContact CG2-CE2 3.5Å; V245-F295 HydrophobicContact CG2-CZ 3.52Å; Y291-F295 HydrophobicContact CD1-CE2 4.26Å; Y291-F295 HydrophobicContact CE1-CD2 4.44Å; Y291-F295 AromaticContact CE1-CE2 3.57Å; Y291-F295 HydrophobicContact CE1-CE2 3.57Å; Y291-F295 HydrophobicContact CE1-CZ 4.34Å; Y291-F295 HydrophobicContact CE2-CE2 4.31Å; Y291-F295 AromaticContact CZ-CE2 3.59Å; Y291-F295 WeakPolarHBondContact OH-CZ 3.15Å; E292-F295 PolarHBondContact O-N 3.3Å; E293-F295 PolarHBondContact O-N 3.38Å; E293-F295 VanDerWaalsContact O-N 3.11Å; F295-W297 PolarHBondContact O-N 3.16Å; F295-W297 VanDerWaalsContact O-N 3.15Å; F295-K298 PolarHBondContact O-N 2.75Å; F295-K299 PolarHBondContact O-N 2.81Å
296	N	91.4	Very high	89.9	Confident	46 Å²	46	75.7 Å²	75.7	25%	0.246	33%	0.331	C	S	.	.	H	α-helix	trans	-57.7	-29.9	178.6	-82.2	-31.7	0	0	0	113	E293 K298 K299 K300	E293-N296 WeakPolarHBondContact CA-ND2 3.5Å; E293-N296 VanDerWaalsContact O-CB 3.26Å; E293-N296 WeakPolarHBondContact O-CB 3.41Å; E293-N296 PolarHBondContact O-N 3.28Å; E293-N296 VanDerWaalsContact O-N 3.08Å; E293-N296 PolarHBondContact O-ND2 3.35Å; N296-K298 VanDerWaalsContact C-N 3.27Å; N296-K298 PolarHBondContact O-N 3.05Å; N296-K299 PolarHBondContact O-N 3.3Å; N296-K300 HydrophobicContact CB-CD 4.17Å; N296-K300 WeakPolarHBondContact O-CB 3.23Å; N296-K300 PolarHBondContact O-N 2.7Å; N296-K300 VanDerWaalsContact OD1-CE 3.24Å; N296-K300 WeakPolarHBondContact OD1-CE 3.34Å; N296-K300 PolarHBondContact OD1-NZ 3.12Å
297	W	89.7	Confident	89.8	Confident	12 Å²	12	69.9 Å²	69.9	5%	0.045	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-29.6	176.4	65.9	-91.1	0	0	0	112.9	L146 Y240 P261 Y294 F295 K301 W303 V305	L146-W297 HydrophobicContact CD1-CE3 3.95Å; L146-W297 HydrophobicContact CD1-CZ3 4.16Å; L146-W297 HydrophobicContact CD2-CE3 4.13Å; L146-W297 HydrophobicContact CD2-CH2 4.1Å; L146-W297 HydrophobicContact CD2-CZ3 3.48Å; L146-W297 VanDerWaalsContact CD2-CZ3 3.48Å; Y240-W297 HydrophobicContact CD1-CH2 4.33Å; Y240-W297 AromaticContact CD1-CZ2 3.66Å; Y240-W297 HydrophobicContact CD1-CZ2 3.66Å; Y240-W297 HydrophobicContact CD2-CH2 4.05Å; Y240-W297 HydrophobicContact CD2-CZ2 4.13Å; Y240-W297 AromaticContact CE1-CZ2 3.92Å; Y240-W297 HydrophobicContact CE1-CZ2 3.92Å; Y240-W297 HydrophobicContact CE2-CZ2 4.4Å; Y240-W297 AromaticContact CG-CH2 3.96Å; Y240-W297 HydrophobicContact CG-CH2 3.96Å; Y240-W297 AromaticContact CG-CZ2 3.76Å; Y240-W297 HydrophobicContact CG-CZ2 3.76Å; P261-W297 HydrophobicContact CB-CB 3.74Å; P261-W297 HydrophobicContact CB-CG 4.21Å; P261-W297 HydrophobicContact CG-CB 3.69Å; P261-W297 HydrophobicContact CG-CD2 4.22Å; P261-W297 HydrophobicContact CG-CE3 4.41Å; P261-W297 HydrophobicContact CG-CG 3.93Å; Y294-W297 PolarHBondContact O-NE1 3.49Å; F295-W297 PolarHBondContact O-N 3.16Å; F295-W297 VanDerWaalsContact O-N 3.15Å; W297-K301 WeakPolarHBondContact O-CB 3.33Å; W297-W303 HydrophobicContact CE3-CB 4.01Å; W297-W303 HydrophobicContact CZ3-CB 4.26Å; W297-V305 HydrophobicContact CH2-CG2 3.61Å; W297-V305 HydrophobicContact CZ3-CG2 4.06Å
298	K	85.8	Confident	89.6	Confident	34 Å²	34	67.7 Å²	67.7	15%	0.148	30%	0.295	C	S	.	.	H	α-helix	trans	-75.9	-53.1	171	-68.4	-176.9	175.4	-179.2	0	110.6	D158 Y240 F295 N296 H302	D158-K298 IonicContact OD2-NZ 3.55Å; D158-K298 PolarHBondContact OD2-NZ 3.19Å; Y240-K298 PolarHBondContact O-NZ 2.93Å; F295-K298 PolarHBondContact O-N 2.75Å; N296-K298 VanDerWaalsContact C-N 3.27Å; N296-K298 PolarHBondContact O-N 3.05Å; K298-H302 WeakPolarHBondContact O-CA 3.38Å; K298-H302 PolarHBondContact O-N 2.79Å
299	K	78.4	Confident	89.4	Confident	91 Å²	91	63.7 Å²	63.7	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-70.3	-47.6	-169.7	-63.5	-177	179.6	-176.7	0	113.7	F295 N296	F295-K299 PolarHBondContact O-N 2.81Å; N296-K299 PolarHBondContact O-N 3.3Å
300	K	77.4	Confident	89.4	Confident	141 Å²	141	58 Å²	58	61%	0.613	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-29.5	-171.9	-61.7	-177.9	178.7	171	0	112.9	N296	N296-K300 HydrophobicContact CB-CD 4.17Å; N296-K300 WeakPolarHBondContact O-CB 3.23Å; N296-K300 PolarHBondContact O-N 2.7Å; N296-K300 VanDerWaalsContact OD1-CE 3.24Å; N296-K300 WeakPolarHBondContact OD1-CE 3.34Å; N296-K300 PolarHBondContact OD1-NZ 3.12Å
301	K	75.1	Confident	89.4	Confident	145 Å²	145	54.1 Å²	54.1	63%	0.63	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	0.4	-173.4	-58.1	-68	-170.6	179.5	0	113.2	W297 W303	W297-K301 WeakPolarHBondContact O-CB 3.33Å; K301-W303 VanDerWaalsContact C-N 3.28Å; K301-W303 HydrophobicContact CB-CG 4.42Å; K301-W303 VanDerWaalsContact CB-NE1 3.31Å; K301-W303 PolarHBondContact O-N 2.97Å
302	H	81.7	Confident	89.4	Confident	81 Å²	81	56.1 Å²	56.1	38%	0.375	27%	0.268	S	S	.	.			trans	51.6	45.8	174.4	-61.6	92.2	0	0	0	112.5	L149 K298	L149-H302 HydrophobicContact CB-CB 4.21Å; L149-H302 VanDerWaalsContact CB-O 3.31Å; L149-H302 WeakPolarHBondContact CB-O 3.28Å; L149-H302 HydrophobicContact CD1-CB 4.44Å; L149-H302 PolarHBondContact N-O 3.03Å; K298-H302 WeakPolarHBondContact O-CA 3.38Å; K298-H302 PolarHBondContact O-N 2.79Å
303	W	88.1	Confident	89.5	Confident	91 Å²	91	55 Å²	55	35%	0.345	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.4	174.4	-64.7	110.8	0	0	0	111.3	L146 L147 P148 W297 K301	L146-W303 HydrophobicContact CB-CB 4.29Å; L146-W303 HydrophobicContact CB-CD2 4.26Å; L146-W303 HydrophobicContact CB-CE3 3.92Å; L146-W303 HydrophobicContact CB-CG 4.38Å; L146-W303 HydrophobicContact CD1-CB 4.23Å; L146-W303 HydrophobicContact CD1-CG 4.27Å; L146-W303 HydrophobicContact CD2-CB 4.49Å; L147-W303 CarbonylContact O-C 3.56Å; L147-W303 WeakPolarHBondContact O-CA 3.15Å; P148-W303 HydrophobicContact CB-CE3 4.46Å; P148-W303 HydrophobicContact CB-CZ3 4.1Å; P148-W303 HydrophobicContact CG-CZ3 4.36Å; W297-W303 HydrophobicContact CE3-CB 4.01Å; W297-W303 HydrophobicContact CZ3-CB 4.26Å; K301-W303 VanDerWaalsContact C-N 3.28Å; K301-W303 HydrophobicContact CB-CG 4.42Å; K301-W303 VanDerWaalsContact CB-NE1 3.31Å; K301-W303 PolarHBondContact O-N 2.97Å
304	K	89.8	Confident	89.5	Confident	94 Å²	94	52 Å²	52	41%	0.409	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148.1	166.1	65.2	-177.6	176	-171	0	110.8	L146 L147 L149	L146-K304 WeakPolarHBondContact CA-O 3.3Å; L147-K304 HydrophobicContact CB-CG 4.01Å; L147-K304 PolarHBondContact N-O 2.73Å; L147-K304 WeakPolarHBondContact O-CG 3.23Å; L147-K304 PolarHBondContact O-N 3.45Å; L149-K304 HydrophobicContact CD1-CB 4.41Å; L149-K304 HydrophobicContact CD2-CB 4.07Å; L149-K304 HydrophobicContact CD2-CD 4.07Å; L149-K304 HydrophobicContact CD2-CG 4.42Å; L149-K304 HydrophobicContact CG-CB 3.97Å; L149-K304 HydrophobicContact CG-CD 4.42Å; L149-K304 HydrophobicContact CG-CG 4.32Å
305	V	93.4	Very high	89.6	Confident	21 Å²	21	51.3 Å²	51.3	13%	0.127	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.3	174.7	-176.6	0	0	0	0	110	L146 W236 Y240 K241 W297 V307	L146-V305 HydrophobicContact CD2-CG2 3.82Å; W236-V305 HydrophobicContact CB-CG1 4.28Å; W236-V305 HydrophobicContact CE3-CG1 4Å; Y240-V305 HydrophobicContact CD2-CG2 4.02Å; Y240-V305 HydrophobicContact CG-CG2 4.31Å; K241-V305 WeakPolarHBondContact CE-O 3.39Å; K241-V305 HydrophobicContact CG-CB 4.31Å; K241-V305 HydrophobicContact CG-CG1 4.42Å; W297-V305 HydrophobicContact CH2-CG2 3.61Å; W297-V305 HydrophobicContact CZ3-CG2 4.06Å; V305-V307 HydrophobicContact CG1-CG2 4.13Å
306	K	94.1	Very high	89.7	Confident	59 Å²	59	51.1 Å²	51.1	26%	0.257	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.2	164.6	179.6	172.8	168.4	-158.9	0	108.7	G144 E145 L147 H308 E313	G144-K306 CarbonylContact C-O 3.56Å; G144-K306 WeakPolarHBondContact CA-O 3.41Å; E145-K306 HydrophobicContact CG-CB 3.94Å; E145-K306 HydrophobicContact CG-CD 4.29Å; E145-K306 HydrophobicContact CG-CG 4.39Å; E145-K306 PolarHBondContact N-O 3.03Å; E145-K306 PolarHBondContact O-N 3.38Å; E145-K306 WeakPolarHBondContact OE1-CD 3.34Å; E145-K306 IonicContact OE1-NZ 3.77Å; E145-K306 PolarHBondContact OE1-NZ 2.64Å; E145-K306 VanDerWaalsContact OE1-NZ 3.16Å; L147-K306 HydrophobicContact CD1-CB 3.9Å; L147-K306 HydrophobicContact CD1-CD 3.44Å; L147-K306 VanDerWaalsContact CD1-CD 3.44Å; L147-K306 HydrophobicContact CD1-CG 4.31Å; L147-K306 HydrophobicContact CG-CB 4.07Å; L147-K306 HydrophobicContact CG-CD 4.25Å; K306-H308 VanDerWaalsContact CE-CE1 3.5Å; K306-H308 WeakPolarHBondContact CE-CE1 3.31Å; K306-E313 WeakPolarHBondContact CE-OE1 3.4Å; K306-E313 IonicContact NZ-OE1 3.03Å; K306-E313 PolarHBondContact NZ-OE1 3.31Å
307	V	94.6	Very high	89.9	Confident	40 Å²	40	50.7 Å²	50.7	24%	0.242	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.9	174.1	177.4	0	0	0	0	107.1	W236 H237 K241 V305	W236-V307 HydrophobicContact CB-CG2 4.2Å; H237-V307 HydrophobicContact CB-CG1 4.27Å; H237-V307 HydrophobicContact CB-CG2 3.98Å; K241-V307 HydrophobicContact CD-CG2 4.13Å; V305-V307 HydrophobicContact CG1-CG2 4.13Å
308	H	92.1	Very high	90.1	Very high	15 Å²	15	50.1 Å²	50.1	7%	0.069	24%	0.239	C	C	.	.			trans	-91.3	115	175.6	-63.4	-68.3	0	0	0	109.5	P142 Y143 E145 K306 E313 K317	P142-H308 WeakPolarHBondContact O-CB 3.43Å; P142-H308 PolarHBondContact O-CD2 2.95Å; Y143-H308 PolarHBondContact O-N 3.39Å; E145-H308 IonicContact OE1-CE1 2.76Å; E145-H308 PolarHBondContact OE1-CE1 3.37Å; E145-H308 IonicContact OE1-NE2 3.23Å; E145-H308 PolarHBondContact OE1-NE2 3.43Å; K306-H308 VanDerWaalsContact CE-CE1 3.5Å; K306-H308 WeakPolarHBondContact CE-CE1 3.31Å; H308-E313 IonicContact ND1-OE2 3.72Å; H308-E313 PolarHBondContact ND1-OE2 3.42Å; H308-K317 PolarHBondContact CE1-NZ 3.38Å
309	G	87.8	Confident	90.5	Very high	60 Å²	60	48.8 Å²	48.8	62%	0.619	23%	0.234	S	C	*	.			trans	-137.5	-5.7	177.5	0	0	0	0	0	114.1
310	D	93.1	Very high	91.2	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.193	23%	0.228	C	C	.	.			trans	-96.2	113.4	176.2	-161.6	-27.5	0	0	0	109.9	Y60 R312 E313 S314	Y60-D310 PolarHBondContact OH-OD1 3.21Å; Y60-D310 PolarHBondContact OH-OD2 2.9Å; D310-R312 PolarHBondContact O-N 3.4Å; D310-R312 WeakPolarHBondContact OD1-CB 3.48Å; D310-R312 IonicContact OD1-CZ 3.29Å; D310-R312 PolarHBondContact OD1-N 2.99Å; D310-R312 IonicContact OD1-NE 3.32Å; D310-R312 PolarHBondContact OD1-NE 2.87Å; D310-R312 IonicContact OD1-NH2 3.11Å; D310-R312 IonicContact OD2-CZ 3.93Å; D310-R312 IonicContact OD2-NE 2.6Å; D310-R312 PolarHBondContact OD2-NE 2.72Å; D310-R312 IonicContact OD2-NH2 2.76Å; D310-R312 PolarHBondContact OD2-NH2 3.44Å; D310-E313 HydrophobicContact CB-CB 4.32Å; D310-E313 PolarHBondContact O-N 3.13Å; D310-S314 PolarHBondContact O-N 3.32Å; D310-S314 PolarHBondContact O-OG 2.91Å
311	W	94.7	Very high	91.8	Very high	30 Å²	30	43.1 Å²	43.1	11%	0.114	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-30.9	177.2	-68.7	116	0	0	0	112	W43 P44 F45 Y49 M109 L111 S314 L315	W43-W311 HydrophobicContact CE3-CB 4.3Å; W43-W311 HydrophobicContact CZ3-CB 3.86Å; P44-W311 HydrophobicContact CB-CD2 4.29Å; P44-W311 HydrophobicContact CB-CZ2 3.98Å; P44-W311 HydrophobicContact CG-CD2 3.81Å; P44-W311 HydrophobicContact CG-CE3 4.26Å; P44-W311 HydrophobicContact CG-CG 4.07Å; P44-W311 HydrophobicContact CG-CZ2 4.2Å; F45-W311 HydrophobicContact CE2-CZ2 4.07Å; Y49-W311 HydrophobicContact CE2-CB 4.26Å; Y49-W311 AromaticContact CE2-CD1 3.76Å; Y49-W311 HydrophobicContact CE2-CG 4.42Å; Y49-W311 AromaticContact CZ-CD1 3.85Å; M109-W311 HydrophobicContact CE-CE3 4.26Å; M109-W311 HydrophobicContact CE-CZ3 4.3Å; M109-W311 HydrophobicContact SD-CE3 4.24Å; M109-W311 HydrophobicContact SD-CZ3 4.15Å; L111-W311 HydrophobicContact CB-CH2 4.41Å; L111-W311 HydrophobicContact CD1-CH2 3.42Å; L111-W311 VanDerWaalsContact CD1-CH2 3.42Å; L111-W311 HydrophobicContact CD1-CZ2 4.43Å; L111-W311 HydrophobicContact CD1-CZ3 3.66Å; L111-W311 HydrophobicContact CG-CH2 3.71Å; L111-W311 HydrophobicContact CG-CZ3 3.95Å; W311-S314 PolarHBondContact O-N 3.1Å; W311-L315 HydrophobicContact CB-CD1 4.44Å; W311-L315 WeakPolarHBondContact O-CB 3.43Å; W311-L315 WeakPolarHBondContact O-CD1 3.36Å; W311-L315 WeakPolarHBondContact O-CG 3.3Å; W311-L315 PolarHBondContact O-N 3.45Å
312	R	96.2	Very high	92.5	Very high	47 Å²	47	37.5 Å²	37.5	18%	0.177	19%	0.188	C	C	.	.	H	α-helix	trans	-64	-46.3	178.9	-62.3	170.7	-70.5	179	7.7	111.3	W43 Y49 S50 L51 Y60 L67 D310 S314 L315 C316	W43-R312 HydrophobicContact CH2-CG 3.9Å; W43-R312 HydrophobicContact CZ3-CG 4.46Å; Y49-R312 HydrophobicContact CD1-CG 4.42Å; Y49-R312 HydrophobicContact CG-CG 4.19Å; S50-R312 PolarHBondContact O-NH1 3.4Å; L51-R312 HydrophobicContact CD2-CG 4.15Å; Y60-R312 HydrophobicContact CE2-CB 3.78Å; L67-R312 HydrophobicContact CD2-CB 4.01Å; L67-R312 HydrophobicContact CD2-CG 4.08Å; D310-R312 PolarHBondContact O-N 3.4Å; D310-R312 WeakPolarHBondContact OD1-CB 3.48Å; D310-R312 IonicContact OD1-CZ 3.29Å; D310-R312 PolarHBondContact OD1-N 2.99Å; D310-R312 IonicContact OD1-NE 3.32Å; D310-R312 PolarHBondContact OD1-NE 2.87Å; D310-R312 IonicContact OD1-NH2 3.11Å; D310-R312 IonicContact OD2-CZ 3.93Å; D310-R312 IonicContact OD2-NE 2.6Å; D310-R312 PolarHBondContact OD2-NE 2.72Å; D310-R312 IonicContact OD2-NH2 2.76Å; D310-R312 PolarHBondContact OD2-NH2 3.44Å; R312-S314 VanDerWaalsContact C-N 3.28Å; R312-S314 PolarHBondContact O-N 2.82Å; R312-L315 PolarHBondContact O-N 3.11Å; R312-C316 WeakPolarHBondContact O-CB 3.39Å; R312-C316 PolarHBondContact O-N 3.01Å; R312-C316 PolarHBondContact O-SG 3.04Å
313	E	95	Very high	92.8	Very high	27 Å²	27	37.9 Å²	37.9	13%	0.126	19%	0.192	C	C	.	.	H	α-helix	trans	-55.1	-50.2	175.1	-173.3	-173.6	-173.1	0	0	110	Y60 K306 H308 D310 L315 C316 K317	Y60-E313 HydrophobicContact CD1-CB 3.72Å; Y60-E313 HydrophobicContact CD1-CG 3.65Å; Y60-E313 HydrophobicContact CD2-CB 4.34Å; Y60-E313 HydrophobicContact CE1-CB 3.49Å; Y60-E313 VanDerWaalsContact CE1-CB 3.49Å; Y60-E313 HydrophobicContact CE1-CG 3.93Å; Y60-E313 HydrophobicContact CE2-CB 4.15Å; Y60-E313 HydrophobicContact CG-CB 4.15Å; Y60-E313 HydrophobicContact CG-CG 4.07Å; K306-E313 WeakPolarHBondContact CE-OE1 3.4Å; K306-E313 IonicContact NZ-OE1 3.03Å; K306-E313 PolarHBondContact NZ-OE1 3.31Å; H308-E313 IonicContact ND1-OE2 3.72Å; H308-E313 PolarHBondContact ND1-OE2 3.42Å; D310-E313 HydrophobicContact CB-CB 4.32Å; D310-E313 PolarHBondContact O-N 3.13Å; E313-L315 VanDerWaalsContact C-N 3.32Å; E313-L315 PolarHBondContact O-N 2.76Å; E313-C316 PolarHBondContact O-N 3.15Å; E313-K317 PolarHBondContact O-N 3.24Å
314	S	93.5	Very high	92.7	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-37.2	-174.1	-50.8	0	0	0	0	112.4	D310 W311 R312 K317	D310-S314 PolarHBondContact O-N 3.32Å; D310-S314 PolarHBondContact O-OG 2.91Å; W311-S314 PolarHBondContact O-N 3.1Å; R312-S314 VanDerWaalsContact C-N 3.28Å; R312-S314 PolarHBondContact O-N 2.82Å; S314-K317 WeakPolarHBondContact O-CB 3.23Å
315	L	96.3	Very high	92.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-75.2	-39.2	176.4	-67.7	164.9	0	0	0	111.8	I38 V40 W43 L67 V81 M109 W311 R312 E313 K317 I318	I38-L315 VanDerWaalsContact CD1-O 3.3Å; I38-L315 WeakPolarHBondContact CD1-O 3.34Å; V40-L315 HydrophobicContact CG2-CD1 3.59Å; W43-L315 HydrophobicContact CH2-CD1 4.09Å; W43-L315 HydrophobicContact CZ3-CD1 3.66Å; L67-L315 HydrophobicContact CD1-CB 3.93Å; L67-L315 HydrophobicContact CD1-CD1 4.31Å; L67-L315 HydrophobicContact CD2-CB 4.36Å; V81-L315 HydrophobicContact CB-CD2 4.21Å; V81-L315 HydrophobicContact CG1-CD2 3.79Å; V81-L315 HydrophobicContact CG2-CD2 4Å; M109-L315 HydrophobicContact CE-CD2 4.42Å; M109-L315 HydrophobicContact SD-CD2 3.75Å; W311-L315 HydrophobicContact CB-CD1 4.44Å; W311-L315 WeakPolarHBondContact O-CB 3.43Å; W311-L315 WeakPolarHBondContact O-CD1 3.36Å; W311-L315 WeakPolarHBondContact O-CG 3.3Å; W311-L315 PolarHBondContact O-N 3.45Å; R312-L315 PolarHBondContact O-N 3.11Å; E313-L315 VanDerWaalsContact C-N 3.32Å; E313-L315 PolarHBondContact O-N 2.76Å; L315-K317 PolarHBondContact O-N 3.12Å; L315-I318 HydrophobicContact CD2-CD1 4.06Å; L315-I318 VanDerWaalsContact O-CB 3.23Å; L315-I318 WeakPolarHBondContact O-CB 3.35Å; L315-I318 WeakPolarHBondContact O-CD1 3.22Å; L315-I318 WeakPolarHBondContact O-CG1 3.34Å; L315-I318 PolarHBondContact O-N 3.46Å
316	C	96.3	Very high	91.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-27.8	175.5	-66.1	0	0	0	0	112.2	C56 Y60 I62 R312 E313 I318 C319	C56-C316 WeakPolarHBondContact CA-SG 3.47Å; C56-C316 HydrophobicContact CB-CB 3.76Å; C56-C316 WeakPolarHBondContact CB-SG 3.31Å; C56-C316 WeakPolarHBondContact SG-CB 3.17Å; C56-C316 CovalentContact SG-SG 2.04Å; C56-C316 PolarHBondContact SG-SG 3.12Å; Y60-C316 HydrophobicContact CD2-CB 4.41Å; I62-C316 HydrophobicContact CD1-CB 3.68Å; R312-C316 WeakPolarHBondContact O-CB 3.39Å; R312-C316 PolarHBondContact O-N 3.01Å; R312-C316 PolarHBondContact O-SG 3.04Å; E313-C316 PolarHBondContact O-N 3.15Å; C316-I318 PolarHBondContact O-N 2.97Å; C316-C319 WeakPolarHBondContact O-CB 3.37Å; C316-C319 PolarHBondContact O-N 3.25Å; C316-C319 VanDerWaalsContact O-N 3.12Å
317	K	93.9	Very high	91.2	Very high	37 Å²	37	40.3 Å²	40.3	16%	0.161	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.1	173.7	-70	178.9	177	-174.8	0	113.7	H308 E313 S314 L315 C319 L320	H308-K317 PolarHBondContact CE1-NZ 3.38Å; E313-K317 PolarHBondContact O-N 3.24Å; S314-K317 WeakPolarHBondContact O-CB 3.23Å; L315-K317 PolarHBondContact O-N 3.12Å; K317-C319 PolarHBondContact O-N 2.84Å; K317-L320 HydrophobicContact CB-CD1 4.48Å; K317-L320 HydrophobicContact CG-CD1 4.33Å; K317-L320 VanDerWaalsContact O-CB 3.31Å; K317-L320 WeakPolarHBondContact O-CB 3.37Å; K317-L320 PolarHBondContact O-N 2.71Å
318	I	95.2	Very high	90.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-54.8	-39.6	173.8	-62.8	165.9	0	0	0	110.5	I38 V79 V81 M129 I131 V139 L315 C316 L320 Q321 Y322	I38-I318 HydrophobicContact CD1-CB 3.78Å; I38-I318 HydrophobicContact CD1-CD1 4.19Å; I38-I318 HydrophobicContact CD1-CG2 4.21Å; I38-I318 HydrophobicContact CG1-CB 4.44Å; I38-I318 HydrophobicContact CG1-CG2 4.37Å; I38-I318 HydrophobicContact CG2-CD1 3.94Å; V79-I318 HydrophobicContact CG1-CG2 4.36Å; V79-I318 HydrophobicContact CG2-CG2 4.09Å; V81-I318 HydrophobicContact CG2-CD1 3.71Å; M129-I318 HydrophobicContact CE-CG2 3.9Å; I131-I318 HydrophobicContact CD1-CD1 3.52Å; I131-I318 HydrophobicContact CD1-CG1 3.89Å; V139-I318 HydrophobicContact CG1-CG1 4.25Å; V139-I318 HydrophobicContact CG2-CG1 4.19Å; L315-I318 HydrophobicContact CD2-CD1 4.06Å; L315-I318 VanDerWaalsContact O-CB 3.23Å; L315-I318 WeakPolarHBondContact O-CB 3.35Å; L315-I318 WeakPolarHBondContact O-CD1 3.22Å; L315-I318 WeakPolarHBondContact O-CG1 3.34Å; L315-I318 PolarHBondContact O-N 3.46Å; C316-I318 PolarHBondContact O-N 2.97Å; I318-L320 PolarHBondContact O-N 2.89Å; I318-Q321 PolarHBondContact O-N 2.82Å; I318-Q321 VanDerWaalsContact O-N 3.11Å; I318-Y322 PolarHBondContact O-N 3.49Å
319	C	94.7	Very high	90.9	Very high	7 Å²	7	48.4 Å²	48.4	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-26.7	-179.8	-66.4	0	0	0	0	113.2	I38 I62 C65 C316 K317 Q321	I38-C319 WeakPolarHBondContact CD1-SG 3.42Å; I62-C319 HydrophobicContact CG2-CB 4.16Å; C65-C319 WeakPolarHBondContact CA-SG 3.44Å; C65-C319 HydrophobicContact CB-CB 3.55Å; C65-C319 WeakPolarHBondContact CB-SG 3.49Å; C65-C319 WeakPolarHBondContact SG-CB 3.27Å; C65-C319 CovalentContact SG-SG 2.03Å; C65-C319 PolarHBondContact SG-SG 3.15Å; C316-C319 WeakPolarHBondContact O-CB 3.37Å; C316-C319 PolarHBondContact O-N 3.25Å; C316-C319 VanDerWaalsContact O-N 3.12Å; K317-C319 PolarHBondContact O-N 2.84Å; C319-Q321 VanDerWaalsContact C-N 3.27Å; C319-Q321 PolarHBondContact O-N 2.03Å
320	L	91.6	Very high	91.3	Very high	49 Å²	49	48.7 Å²	48.7	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-73.2	-21.2	178.6	-59.9	177.3	0	0	0	112.7	Y29 I62 K317 I318	Y29-L320 HydrophobicContact CD1-CB 3.69Å; Y29-L320 HydrophobicContact CD1-CD1 4.14Å; Y29-L320 HydrophobicContact CD1-CD2 3.99Å; Y29-L320 HydrophobicContact CD1-CG 4.15Å; Y29-L320 HydrophobicContact CE1-CB 3.7Å; Y29-L320 HydrophobicContact CE1-CD1 3.6Å; Y29-L320 HydrophobicContact CE1-CD2 4.32Å; Y29-L320 HydrophobicContact CE1-CG 4.07Å; Y29-L320 HydrophobicContact CG-CD2 4.41Å; I62-L320 HydrophobicContact CD1-CD1 4.08Å; I62-L320 HydrophobicContact CD1-CG 4.4Å; I62-L320 HydrophobicContact CG1-CD1 4.41Å; I62-L320 HydrophobicContact CG1-CD2 4.41Å; I62-L320 HydrophobicContact CG2-CD2 3.96Å; I62-L320 HydrophobicContact CG2-CG 4.28Å; K317-L320 HydrophobicContact CB-CD1 4.48Å; K317-L320 HydrophobicContact CG-CD1 4.33Å; K317-L320 VanDerWaalsContact O-CB 3.31Å; K317-L320 WeakPolarHBondContact O-CB 3.37Å; K317-L320 PolarHBondContact O-N 2.71Å; I318-L320 PolarHBondContact O-N 2.89Å
321	Q	89.9	Confident	91.4	Very high	63 Å²	63	47.9 Å²	47.9	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-115.8	-10.5	-176.7	-67.1	175.1	-25.2	0	0	112.7	D138 I318 C319 N323 S324 L325	D138-Q321 PolarHBondContact O-OE1 3.3Å; I318-Q321 PolarHBondContact O-N 2.82Å; I318-Q321 VanDerWaalsContact O-N 3.11Å; C319-Q321 VanDerWaalsContact C-N 3.27Å; C319-Q321 PolarHBondContact O-N 2.03Å; Q321-N323 VanDerWaalsContact C-N 3.28Å; Q321-N323 PolarHBondContact O-N 3.5Å; Q321-N323 VanDerWaalsContact O-N 3.1Å; Q321-S324 PolarHBondContact O-N 2.99Å; Q321-S324 PolarHBondContact O-OG 2.87Å; Q321-L325 HydrophobicContact CB-CD1 4.4Å; Q321-L325 HydrophobicContact CB-CG 4.48Å; Q321-L325 WeakPolarHBondContact O-CG 3.36Å; Q321-L325 PolarHBondContact O-N 2.04Å
322	Y	90.5	Very high	91.6	Very high	28 Å²	28	50.2 Å²	50.2	11%	0.11	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-44.5	-172.4	-179.2	-100.5	0	0	0	113.9	V36 H78 V79 R105 I318	V36-Y322 HydrophobicContact CG1-CD1 4.38Å; V36-Y322 HydrophobicContact CG1-CD2 4Å; V36-Y322 HydrophobicContact CG1-CE2 4.35Å; V36-Y322 HydrophobicContact CG1-CG 4.02Å; V36-Y322 HydrophobicContact CG2-CD1 3.51Å; V36-Y322 HydrophobicContact CG2-CE1 4Å; V36-Y322 HydrophobicContact CG2-CG 3.83Å; H78-Y322 HydrophobicContact CB-CE2 4.24Å; V79-Y322 HydrophobicContact CG2-CD2 3.68Å; V79-Y322 HydrophobicContact CG2-CE2 3.61Å; R105-Y322 PolarHBondContact NH1-O 3.22Å; I318-Y322 PolarHBondContact O-N 3.49Å
323	N	87.4	Confident	91.6	Very high	88 Å²	88	51.8 Å²	51.8	47%	0.471	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-23.1	-178	-64.9	-35.3	0	0	0	114.3	S32 Q321	S32-N323 WeakPolarHBondContact CA-ND2 3.41Å; S32-N323 WeakPolarHBondContact CB-ND2 3.03Å; S32-N323 PolarHBondContact OG-ND2 3.21Å; Q321-N323 VanDerWaalsContact C-N 3.28Å; Q321-N323 PolarHBondContact O-N 3.5Å; Q321-N323 VanDerWaalsContact O-N 3.1Å
324	S	86.1	Confident	91.7	Very high	96 Å²	96	50.6 Å²	50.6	67%	0.671	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-15.6	176.7	62.2	0	0	0	0	112.6	Q321	Q321-S324 PolarHBondContact O-N 2.99Å; Q321-S324 PolarHBondContact O-OG 2.87Å
325	L	82.8	Confident	91.9	Very high	19 Å²	19	51.6 Å²	51.6	10%	0.099	28%	0.276	C	S	.	.	S	Bend	trans	-79.4	137	-178.2	-70	173.2	0	0	0	112	R105 M129 D138 V139 Q321 Q327	R105-L325 VanDerWaalsContact NH1-CB 3.34Å; R105-L325 PolarHBondContact NH1-O 3.36Å; R105-L325 PolarHBondContact NH2-O 3.07Å; R105-L325 VanDerWaalsContact NH2-O 3.13Å; M129-L325 HydrophobicContact CE-CD1 3.2Å; M129-L325 HydrophobicContact CG-CD1 4.25Å; M129-L325 HydrophobicContact SD-CD1 3.92Å; D138-L325 HydrophobicContact CB-CD1 4.28Å; D138-L325 HydrophobicContact CB-CD2 3.64Å; V139-L325 HydrophobicContact CG2-CD1 4.44Å; Q321-L325 HydrophobicContact CB-CD1 4.4Å; Q321-L325 HydrophobicContact CB-CG 4.48Å; Q321-L325 WeakPolarHBondContact O-CG 3.36Å; Q321-L325 PolarHBondContact O-N 2.04Å; L325-Q327 PolarHBondContact O-N 3.28Å
326	P	83.9	Confident	91.9	Very high	77 Å²	77	54 Å²	54	50%	0.5	30%	0.296	S	S	.	.			trans	-62.8	135.3	-175.9	-15.8	26.3	0	0	0	112.2	H328 K329	P326-H328 VanDerWaalsContact C-N 3.35Å; P326-H328 PolarHBondContact O-N 3.09Å; P326-K329 HydrophobicContact CB-CB 4Å; P326-K329 HydrophobicContact CG-CB 4.33Å; P326-K329 HydrophobicContact CG-CD 4.34Å
327	Q	79.8	Confident	91.9	Very high	125 Å²	125	55.4 Å²	55.4	58%	0.584	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-30.9	-173.4	-170.6	171.9	1.8	0	0	113.9	L325	L325-Q327 PolarHBondContact O-N 3.28Å
328	H	86	Confident	92	Very high	161 Å²	161	53.8 Å²	53.8	75%	0.745	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	13.2	-174.6	-58.4	-69.2	0	0	0	113.8	P326 V330	P326-H328 VanDerWaalsContact C-N 3.35Å; P326-H328 PolarHBondContact O-N 3.09Å; H328-V330 PolarHBondContact O-N 3.5Å
329	K	93.9	Very high	92	Very high	63 Å²	63	59.2 Å²	59.2	27%	0.274	32%	0.318	S	S	.	.			trans	-67.3	135.5	178.1	-179.2	177.6	179.4	-170.7	0	110.3	N128 D138 P326 Y331	N128-K329 VanDerWaalsContact CA-O 3.31Å; N128-K329 WeakPolarHBondContact CA-O 3.47Å; N128-K329 WeakPolarHBondContact CB-O 3.35Å; N128-K329 PolarHBondContact ND2-O 3.11Å; D138-K329 VanDerWaalsContact CG-NZ 3.34Å; D138-K329 IonicContact OD1-NZ 2.9Å; D138-K329 PolarHBondContact OD1-NZ 3.12Å; D138-K329 IonicContact OD2-NZ 2.75Å; D138-K329 PolarHBondContact OD2-NZ 3.43Å; P326-K329 HydrophobicContact CB-CB 4Å; P326-K329 HydrophobicContact CG-CB 4.33Å; P326-K329 HydrophobicContact CG-CD 4.34Å; K329-Y331 HydrophobicContact CD-CE2 4.27Å; K329-Y331 VanDerWaalsContact CE-CZ 3.46Å; K329-Y331 WeakPolarHBondContact CE-OH 3.43Å; K329-Y331 PolarHBondContact NZ-OH 3.42Å
330	V	95.8	Very high	91.7	Very high	66 Å²	66	65.8 Å²	65.8	40%	0.4	35%	0.345	S	S	.	.			trans	-138.5	135.3	170.2	-179.5	0	0	0	0	107.9	N125 F127 H328 S332	N125-V330 VanDerWaalsContact C-CG1 3.45Å; N125-V330 VanDerWaalsContact CA-CG1 3.47Å; N125-V330 HydrophobicContact CB-CG1 4.24Å; N125-V330 WeakPolarHBondContact O-CG1 3.49Å; F127-V330 WeakPolarHBondContact O-CA 2.98Å; H328-V330 PolarHBondContact O-N 3.5Å; V330-S332 PolarHBondContact O-N 2.8Å
331	Y	97	Very high	90.2	Very high	20 Å²	20	68.4 Å²	68.4	8%	0.078	38%	0.384	C	S	.	.			trans	-79.1	97.4	173.3	-77.9	-95.5	0	0	0	109.7	N125 F127 T130 D138 K329 D333 L334 W337	N125-Y331 PolarHBondContact N-O 2.99Å; F127-Y331 PolarHBondContact O-N 2.98Å; T130-Y331 HydrophobicContact CG2-CD1 4.26Å; T130-Y331 HydrophobicContact CG2-CD2 4.18Å; T130-Y331 HydrophobicContact CG2-CE1 3.75Å; T130-Y331 HydrophobicContact CG2-CE2 3.67Å; T130-Y331 HydrophobicContact CG2-CG 4.45Å; T130-Y331 VanDerWaalsContact CG2-CZ 3.41Å; T130-Y331 PolarHBondContact OG1-OH 2.93Å; D138-Y331 VanDerWaalsContact OD2-CE2 3.24Å; D138-Y331 WeakPolarHBondContact OD2-CE2 3.1Å; D138-Y331 PolarHBondContact OD2-OH 3.39Å; K329-Y331 HydrophobicContact CD-CE2 4.27Å; K329-Y331 VanDerWaalsContact CE-CZ 3.46Å; K329-Y331 WeakPolarHBondContact CE-OH 3.43Å; K329-Y331 PolarHBondContact NZ-OH 3.42Å; Y331-D333 VanDerWaalsContact C-N 3.29Å; Y331-L334 HydrophobicContact CD1-CD1 4.3Å; Y331-L334 HydrophobicContact CG-CD1 4.35Å; Y331-W337 HydrophobicContact CD1-CB 4.05Å; Y331-W337 HydrophobicContact CD1-CG 4.08Å; Y331-W337 HydrophobicContact CE1-CB 4.02Å; Y331-W337 AromaticContact CE1-CD1 3.6Å; Y331-W337 AromaticContact CE1-CD2 3.96Å; Y331-W337 HydrophobicContact CE1-CD2 3.96Å; Y331-W337 AromaticContact CE1-CG 3.55Å; Y331-W337 HydrophobicContact CE1-CG 3.55Å; Y331-W337 AromaticContact CE1-NE1 3.98Å
332	S	97.3	Very high	90.2	Very high	78 Å²	78	68.7 Å²	68.7	55%	0.545	39%	0.388	S	S	.	.	S	Bend	trans	-66.4	-33.5	175.1	55.8	0	0	0	0	112.4	A124 N125 V330	A124-S332 WeakPolarHBondContact CA-O 3.41Å; A124-S332 WeakPolarHBondContact CB-O 3.43Å; N125-S332 VanDerWaalsContact OD1-CA 3.24Å; N125-S332 WeakPolarHBondContact OD1-CA 3.44Å; N125-S332 WeakPolarHBondContact OD1-CB 3.29Å; V330-S332 PolarHBondContact O-N 2.8Å
333	D	97.2	Very high	90.2	Very high	81 Å²	81	70.8 Å²	70.8	43%	0.433	40%	0.403	S	S	.	.			trans	-131.6	85.2	173.7	-164.7	-17.1	0	0	0	111	Y331 E335 A336 W337	Y331-D333 VanDerWaalsContact C-N 3.29Å; D333-E335 VanDerWaalsContact C-N 3.27Å; D333-E335 PolarHBondContact O-N 3.35Å; D333-E335 PolarHBondContact OD1-N 3.12Å; D333-A336 HydrophobicContact CB-CB 3.96Å; D333-A336 WeakPolarHBondContact OD1-CB 3.07Å; D333-A336 PolarHBondContact OD1-N 2.91Å; D333-A336 VanDerWaalsContact OD2-CB 3.27Å; D333-A336 WeakPolarHBondContact OD2-CB 3.34Å; D333-W337 PolarHBondContact O-N 3.41Å; D333-W337 VanDerWaalsContact O-N 3.17Å
334	L	97	Very high	90.4	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-66.1	-31.2	176.2	-177.1	63.8	0	0	0	111.9	W108 L120 F123 F127 T130 Y331 W337 D338	W108-L334 HydrophobicContact CB-CD2 4.18Å; W108-L334 HydrophobicContact CD2-CD1 4.32Å; W108-L334 HydrophobicContact CD2-CD2 4.06Å; W108-L334 HydrophobicContact CE3-CD1 4.36Å; W108-L334 HydrophobicContact CG-CD2 3.72Å; L120-L334 HydrophobicContact CB-CG 4.5Å; L120-L334 HydrophobicContact CD1-CG 4.25Å; F123-L334 HydrophobicContact CB-CD2 4.06Å; F127-L334 HydrophobicContact CD2-CD2 3.82Å; F127-L334 HydrophobicContact CE2-CD2 4.28Å; T130-L334 HydrophobicContact CG2-CD1 3.81Å; Y331-L334 HydrophobicContact CD1-CD1 4.3Å; Y331-L334 HydrophobicContact CG-CD1 4.35Å; L334-W337 HydrophobicContact CD1-CE3 4.03Å; L334-W337 PolarHBondContact O-N 3Å; L334-D338 WeakPolarHBondContact O-CB 3.22Å; L334-D338 PolarHBondContact O-N 3.31Å
335	E	96.9	Very high	90.6	Very high	25 Å²	25	68.3 Å²	68.3	12%	0.117	38%	0.383	C	S	.	.	H	α-helix	trans	-69.9	-44.7	179.8	-169.2	180	-125.2	0	0	111.2	L120 K121 D333 W337 D338 K339	L120-E335 HydrophobicContact CB-CB 3.94Å; L120-E335 HydrophobicContact CB-CG 4.34Å; K121-E335 WeakPolarHBondContact CE-OE2 3.44Å; K121-E335 HydrophobicContact CG-CB 4.26Å; K121-E335 WeakPolarHBondContact CG-OE2 3.36Å; D333-E335 VanDerWaalsContact C-N 3.27Å; D333-E335 PolarHBondContact O-N 3.35Å; D333-E335 PolarHBondContact OD1-N 3.12Å; E335-W337 VanDerWaalsContact C-N 3.31Å; E335-W337 PolarHBondContact O-N 3.37Å; E335-D338 PolarHBondContact O-N 2.85Å; E335-K339 HydrophobicContact CG-CD 3.91Å; E335-K339 VanDerWaalsContact CG-CE 3.49Å; E335-K339 HydrophobicContact CG-CG 4.38Å; E335-K339 WeakPolarHBondContact O-CB 3.25Å; E335-K339 WeakPolarHBondContact O-CG 3.27Å; E335-K339 PolarHBondContact O-N 3.04Å; E335-K339 WeakPolarHBondContact OE1-CE 3.43Å; E335-K339 IonicContact OE1-NZ 2.76Å; E335-K339 PolarHBondContact OE1-NZ 2.76Å; E335-K339 IonicContact OE2-NZ 3.23Å; E335-K339 PolarHBondContact OE2-NZ 3.07Å
336	A	96.8	Very high	91.1	Very high	50 Å²	50	71.4 Å²	71.4	41%	0.413	40%	0.401	S	S	.	.	H	α-helix	trans	-61.9	-41.1	174.6	0	0	0	0	0	111.1	D333 K340	D333-A336 HydrophobicContact CB-CB 3.96Å; D333-A336 WeakPolarHBondContact OD1-CB 3.07Å; D333-A336 PolarHBondContact OD1-N 2.91Å; D333-A336 VanDerWaalsContact OD2-CB 3.27Å; D333-A336 WeakPolarHBondContact OD2-CB 3.34Å; A336-K340 WeakPolarHBondContact O-CB 3.44Å; A336-K340 PolarHBondContact O-N 3.1Å
337	W	96.4	Very high	91.6	Very high	30 Å²	30	71 Å²	71	11%	0.114	40%	0.395	C	S	.	.	H	α-helix	trans	-59.5	-51.2	173.7	176.4	84.7	0	0	0	111.2	W108 T130 R134 A137 Y331 D333 L334 E335 K339 K340	W108-W337 HydrophobicContact CE3-CZ3 4.18Å; W108-W337 HydrophobicContact CH2-CZ3 4.23Å; W108-W337 HydrophobicContact CZ3-CH2 4.21Å; W108-W337 AromaticContact CZ3-CZ3 3.54Å; W108-W337 HydrophobicContact CZ3-CZ3 3.54Å; T130-W337 HydrophobicContact CG2-CD2 3.93Å; T130-W337 HydrophobicContact CG2-CE3 3.72Å; T130-W337 HydrophobicContact CG2-CH2 3.78Å; T130-W337 HydrophobicContact CG2-CZ2 3.96Å; T130-W337 HydrophobicContact CG2-CZ3 3.66Å; T130-W337 WeakPolarHBondContact OG1-CZ2 3.32Å; R134-W337 PolarHBondContact NH1-O 3.44Å; A137-W337 HydrophobicContact CB-CH2 4.28Å; A137-W337 HydrophobicContact CB-CZ2 4.01Å; Y331-W337 HydrophobicContact CD1-CB 4.05Å; Y331-W337 HydrophobicContact CD1-CG 4.08Å; Y331-W337 HydrophobicContact CE1-CB 4.02Å; Y331-W337 AromaticContact CE1-CD1 3.6Å; Y331-W337 AromaticContact CE1-CD2 3.96Å; Y331-W337 HydrophobicContact CE1-CD2 3.96Å; Y331-W337 AromaticContact CE1-CG 3.55Å; Y331-W337 HydrophobicContact CE1-CG 3.55Å; Y331-W337 AromaticContact CE1-NE1 3.98Å; D333-W337 PolarHBondContact O-N 3.41Å; D333-W337 VanDerWaalsContact O-N 3.17Å; L334-W337 HydrophobicContact CD1-CE3 4.03Å; L334-W337 PolarHBondContact O-N 3Å; E335-W337 VanDerWaalsContact C-N 3.31Å; E335-W337 PolarHBondContact O-N 3.37Å; W337-K339 PolarHBondContact O-N 3.15Å; W337-K340 WeakPolarHBondContact O-CB 3.33Å; W337-K340 PolarHBondContact O-N 2.83Å
338	D	96.1	Very high	92.4	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.011	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-46.4	-178.2	-177.8	52.4	0	0	0	111.9	P114 N117 L120 R134 L334 E335 K340	P114-D338 VanDerWaalsContact CA-OD2 3.31Å; P114-D338 WeakPolarHBondContact CA-OD2 3.45Å; P114-D338 WeakPolarHBondContact CB-OD2 3.49Å; P114-D338 WeakPolarHBondContact CG-O 3.18Å; N117-D338 WeakPolarHBondContact CB-OD2 3.29Å; N117-D338 PolarHBondContact ND2-OD1 3.1Å; N117-D338 PolarHBondContact ND2-OD2 3.49Å; L120-D338 HydrophobicContact CD1-CB 3.61Å; L120-D338 WeakPolarHBondContact CD1-OD2 3.5Å; R134-D338 PolarHBondContact NH1-O 2.92Å; R134-D338 VanDerWaalsContact NH1-O 3.08Å; L334-D338 WeakPolarHBondContact O-CB 3.22Å; L334-D338 PolarHBondContact O-N 3.31Å; E335-D338 PolarHBondContact O-N 2.85Å; D338-K340 VanDerWaalsContact C-N 3.29Å; D338-K340 PolarHBondContact O-N 3.03Å
339	K	94.2	Very high	92.9	Very high	115 Å²	115	59.9 Å²	59.9	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-78.2	-8.4	-179.3	-66.4	-178.8	-173.7	167.3	0	114.3	P114 E335 W337 G341	P114-K339 HydrophobicContact CB-CG 4.26Å; E335-K339 HydrophobicContact CG-CD 3.91Å; E335-K339 VanDerWaalsContact CG-CE 3.49Å; E335-K339 HydrophobicContact CG-CG 4.38Å; E335-K339 WeakPolarHBondContact O-CB 3.25Å; E335-K339 WeakPolarHBondContact O-CG 3.27Å; E335-K339 PolarHBondContact O-N 3.04Å; E335-K339 WeakPolarHBondContact OE1-CE 3.43Å; E335-K339 IonicContact OE1-NZ 2.76Å; E335-K339 PolarHBondContact OE1-NZ 2.76Å; E335-K339 IonicContact OE2-NZ 3.23Å; E335-K339 PolarHBondContact OE2-NZ 3.07Å; W337-K339 PolarHBondContact O-N 3.15Å; K339-G341 VanDerWaalsContact C-N 3.31Å; K339-G341 PolarHBondContact O-N 3.39Å
340	K	88.6	Confident	92.9	Very high	144 Å²	144	59.7 Å²	59.7	63%	0.626	36%	0.36	S	S	*	.			trans	-71.2	86.9	176.7	-175	-179.8	-177.9	-179.6	0	110	R134 A336 W337 D338	R134-K340 PolarHBondContact NH1-O 3.24Å; R134-K340 PolarHBondContact NH2-O 2.77Å; A336-K340 WeakPolarHBondContact O-CB 3.44Å; A336-K340 PolarHBondContact O-N 3.1Å; W337-K340 WeakPolarHBondContact O-CB 3.33Å; W337-K340 PolarHBondContact O-N 2.83Å; D338-K340 VanDerWaalsContact C-N 3.29Å; D338-K340 PolarHBondContact O-N 3.03Å
341	G	61	Low	92.6	Very high	104 Å²	104	59.1 Å²	59.1	100%	1.072	36%	0.356	S	S	*	.			trans	-125.6	0	177.3	0	0	0	0	0	110.5	K339	K339-G341 VanDerWaalsContact C-N 3.31Å; K339-G341 PolarHBondContact O-N 3.39Å

Retrieved 341 of 341 residues in 70.1 ms (Link to these results)

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