A0A087X794_POEFO Loading...

DNA polymerase delta subunit 2

AlphaFold DB , UniProt , Accession A0A087X794, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 468 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	77.1	Confident	68.6	Low	100 Å²	100	87 Å²	87	49%	0.493	48%	0.482	S	S	.	.				0	163	0	-56.7	-109	-67.5	0	0	107.7	S3 D4 L5 E450	M1-S3 VanDerWaalsContact C-N 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.26Å; M1-D4 WeakPolarHBondContact CB-OD2 3.37Å; M1-D4 WeakPolarHBondContact CG-OD2 3.25Å; M1-D4 PolarHBondContact N-OD2 3.22Å; M1-D4 PolarHBondContact O-N 2.65Å; M1-L5 PolarHBondContact O-N 3.11Å; M1-E450 WeakPolarHBondContact CA-OE1 3.43Å; M1-E450 WeakPolarHBondContact CA-OE2 3.29Å; M1-E450 VanDerWaalsContact CB-CD 3.44Å; M1-E450 WeakPolarHBondContact CB-OE1 3.28Å; M1-E450 WeakPolarHBondContact CB-OE2 3.46Å; M1-E450 HydrophobicContact CE-CG 4.2Å; M1-E450 VanDerWaalsContact CG-OE1 3.25Å; M1-E450 WeakPolarHBondContact CG-OE1 3.29Å; M1-E450 HydrophobicContact SD-CG 3.91Å
2	F	81.1	Confident	68.1	Low	23 Å²	23	85.7 Å²	85.7	10%	0.101	48%	0.483	C	S	.	.	H	α-helix	trans	-62.1	-42	178	-176.2	-102	0	0	0	111.1	D4 L5 S6 F197 M223 G236 I240 L441 E450	F2-D4 VanDerWaalsContact C-N 3.27Å; F2-D4 PolarHBondContact O-N 3.44Å; F2-L5 WeakPolarHBondContact O-CB 3.37Å; F2-L5 PolarHBondContact O-N 3.36Å; F2-L5 VanDerWaalsContact O-N 3.12Å; F2-S6 PolarHBondContact O-N 3.24Å; F2-S6 PolarHBondContact O-OG 3.23Å; F2-F197 HydrophobicContact CB-CE1 4.01Å; F2-F197 HydrophobicContact CB-CZ 4.27Å; F2-F197 HydrophobicContact CD2-CD1 4.27Å; F2-F197 HydrophobicContact CD2-CD2 4.2Å; F2-F197 HydrophobicContact CD2-CE1 4.17Å; F2-F197 HydrophobicContact CD2-CE2 4.13Å; F2-F197 HydrophobicContact CD2-CG 4.26Å; F2-F197 HydrophobicContact CD2-CZ 4.11Å; F2-M223 HydrophobicContact CE1-SD 4.43Å; F2-M223 HydrophobicContact CZ-SD 4.26Å; F2-G236 VanDerWaalsContact CE2-C 3.5Å; F2-G236 VanDerWaalsContact CE2-O 3.27Å; F2-G236 WeakPolarHBondContact CE2-O 3.48Å; F2-I240 HydrophobicContact CE2-CD1 4.19Å; F2-I240 HydrophobicContact CE2-CG1 3.98Å; F2-I240 HydrophobicContact CZ-CD1 4.12Å; F2-I240 HydrophobicContact CZ-CG1 4.4Å; F2-L441 HydrophobicContact CB-CD1 3.84Å; F2-L441 HydrophobicContact CD1-CD1 3.55Å; F2-L441 HydrophobicContact CD2-CD1 3.64Å; F2-L441 HydrophobicContact CE1-CD1 3.93Å; F2-L441 HydrophobicContact CE2-CD1 3.99Å; F2-L441 HydrophobicContact CG-CD1 3.39Å; F2-L441 HydrophobicContact CZ-CD1 4.14Å; F2-E450 PolarHBondContact N-OE2 3.38Å
3	S	79.2	Confident	68.3	Low	66 Å²	66	83.5 Å²	83.5	46%	0.462	48%	0.477	S	S	.	.	H	α-helix	trans	-57.9	-36.4	175	53	0	0	0	0	113.5	M1 L5 S6 A7	M1-S3 VanDerWaalsContact C-N 3.31Å; S3-L5 VanDerWaalsContact C-N 3.31Å; S3-L5 PolarHBondContact O-N 2.86Å; S3-S6 PolarHBondContact O-N 2.89Å; S3-A7 WeakPolarHBondContact O-CB 3.47Å; S3-A7 PolarHBondContact O-N 3.23Å
4	D	77.9	Confident	69.4	Low	81 Å²	81	85.4 Å²	85.4	43%	0.433	48%	0.484	S	S	.	.	H	α-helix	trans	-66.6	-35	178.8	-55.8	-33.5	0	0	0	111.7	M1 F2 Q8	M1-D4 WeakPolarHBondContact CA-OD2 3.26Å; M1-D4 WeakPolarHBondContact CB-OD2 3.37Å; M1-D4 WeakPolarHBondContact CG-OD2 3.25Å; M1-D4 PolarHBondContact N-OD2 3.22Å; M1-D4 PolarHBondContact O-N 2.65Å; F2-D4 VanDerWaalsContact C-N 3.27Å; F2-D4 PolarHBondContact O-N 3.44Å; D4-Q8 WeakPolarHBondContact O-CG 3.27Å; D4-Q8 PolarHBondContact O-N 2.96Å; D4-Q8 PolarHBondContact O-NE2 2.83Å
5	L	69.9	Low	70.6	Confident	47 Å²	47	90.4 Å²	90.4	25%	0.246	51%	0.508	C	S	.	.	H	α-helix	trans	-70.5	-37.5	177.5	-66.6	172	0	0	0	111	M1 F2 S3 D195 F197	M1-L5 PolarHBondContact O-N 3.11Å; F2-L5 WeakPolarHBondContact O-CB 3.37Å; F2-L5 PolarHBondContact O-N 3.36Å; F2-L5 VanDerWaalsContact O-N 3.12Å; S3-L5 VanDerWaalsContact C-N 3.31Å; S3-L5 PolarHBondContact O-N 2.86Å; L5-D195 HydrophobicContact CD1-CB 4.08Å; L5-F197 HydrophobicContact CD1-CE2 3.38Å; L5-F197 HydrophobicContact CD1-CZ 3.57Å
6	S	69.5	Low	71.5	Confident	18 Å²	18	90.3 Å²	90.3	13%	0.126	51%	0.513	C	S	.	.	H	α-helix	trans	-68.5	-33.4	177	-55.4	0	0	0	0	112.7	F2 S3 G232	F2-S6 PolarHBondContact O-N 3.24Å; F2-S6 PolarHBondContact O-OG 3.23Å; S3-S6 PolarHBondContact O-N 2.89Å; S6-G232 CarbonylContact O-C 3.51Å; S6-G232 VanDerWaalsContact O-CA 3.3Å; S6-G232 WeakPolarHBondContact O-CA 3.3Å
7	A	67.9	Low	72.3	Confident	80 Å²	80	98.4 Å²	98.4	66%	0.661	53%	0.534	S	S	*	.	H	α-helix	trans	-82.4	-11	-177.1	0	0	0	0	0	115.1	S3 R9	S3-A7 WeakPolarHBondContact O-CB 3.47Å; S3-A7 PolarHBondContact O-N 3.23Å; A7-R9 VanDerWaalsContact C-N 3.3Å; A7-R9 PolarHBondContact O-N 2.99Å
8	Q	57.9	Low	73	Confident	142 Å²	142	99.9 Å²	99.9	66%	0.664	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-2.4	-168	-91.1	170.5	24.8	0	0	115.9	D4	D4-Q8 WeakPolarHBondContact O-CG 3.27Å; D4-Q8 PolarHBondContact O-N 2.96Å; D4-Q8 PolarHBondContact O-NE2 2.83Å
9	R	62.2	Low	73	Confident	131 Å²	131	99.2 Å²	99.2	49%	0.494	56%	0.558	S	S	.	*	S	Bend	trans	-103.6	121.6	179.3	-65.3	-170	-177.1	-151.7	5.8	111.1	A7 G11 S235	A7-R9 VanDerWaalsContact C-N 3.3Å; A7-R9 PolarHBondContact O-N 2.99Å; R9-G11 PolarHBondContact O-N 3.49Å; R9-S235 PolarHBondContact NH2-OG 3.45Å
10	E	53.3	Low	72.8	Confident	205 Å²	205	100.7 Å²	100.7	96%	0.958	58%	0.575	S	S	*	*	S	Bend	trans	-64	119.3	-178.6	-68.4	-178.1	160.4	0	0	112.2
11	G	58.3	Low	72.3	Confident	64 Å²	64	103.4 Å²	103.4	66%	0.66	58%	0.583	S	S	*	*	S	Bend	trans	92.1	121.8	165.5	0	0	0	0	0	115.8	R9 S13	R9-G11 PolarHBondContact O-N 3.49Å; G11-S13 PolarHBondContact O-N 3.4Å; G11-S13 VanDerWaalsContact O-N 3.13Å
12	S	62.8	Low	71.5	Confident	71 Å²	71	107 Å²	107	50%	0.497	60%	0.604	S	S	.	*			trans	-62	114.3	173.1	-179.9	0	0	0	0	110.2	L14	S12-L14 VanDerWaalsContact C-N 3.34Å
13	S	70.3	Confident	70.6	Confident	58 Å²	58	114.2 Å²	114.2	41%	0.406	64%	0.638	S	S	.	*	S	Bend	trans	-81.6	-11.5	-179.1	55.5	0	0	0	0	113.7	G11 C16	G11-S13 PolarHBondContact O-N 3.4Å; G11-S13 VanDerWaalsContact O-N 3.13Å; S13-C16 PolarHBondContact O-SG 3.04Å
14	L	83.9	Confident	70.4	Confident	110 Å²	110	113.7 Å²	113.7	58%	0.576	64%	0.644	S	S	*	*	S	Bend	trans	-94.7	-22.1	-170.5	-63.4	-177.3	0	0	0	114.3	S12 C16 D230	S12-L14 VanDerWaalsContact C-N 3.34Å; L14-C16 PolarHBondContact O-N 3.49Å; L14-C16 VanDerWaalsContact O-N 3.13Å; L14-D230 HydrophobicContact CD1-CB 3.99Å; L14-D230 HydrophobicContact CG-CB 4.21Å
15	L	88.1	Confident	70.6	Confident	160 Å²	160	113.7 Å²	113.7	84%	0.838	65%	0.648	S	S	*	*	S	Bend	trans	-88	45.6	176.6	-63.1	179	0	0	0	111.9
16	C	85.1	Confident	71.6	Confident	89 Å²	89	117.7 Å²	117.7	60%	0.601	67%	0.674	S	S	*	*	S	Bend	trans	-139	174.5	179.4	77.5	0	0	0	0	112	S13 L14	S13-C16 PolarHBondContact O-SG 3.04Å; L14-C16 PolarHBondContact O-N 3.49Å; L14-C16 VanDerWaalsContact O-N 3.13Å
17	R	85.1	Confident	72.7	Confident	227 Å²	227	119.1 Å²	119.1	86%	0.857	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-67.7	149.6	174.5	-69.1	-177.7	178.4	174.8	-0.1	109.6	A19	R17-A19 PolarHBondContact O-N 3.41Å
18	P	83.6	Confident	73.8	Confident	127 Å²	127	124 Å²	124	83%	0.825	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-50.6	134.3	174.3	-26.5	34.5	0	0	0	111.5
19	A	73.9	Confident	75.4	Confident	85 Å²	85	120.3 Å²	120.3	70%	0.702	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-62.9	151.4	174	0	0	0	0	0	110.3	R17 E21	R17-A19 PolarHBondContact O-N 3.41Å; A19-E21 PolarHBondContact O-N 2.74Å
20	S	69.9	Low	76.5	Confident	129 Å²	129	118 Å²	118	90%	0.902	67%	0.668	S	S	*	*	S	Bend	trans	-75.8	-7.4	-179.5	50.8	0	0	0	0	114.4
21	E	61.4	Low	77.9	Confident	158 Å²	158	113.5 Å²	113.5	74%	0.738	66%	0.659	S	S	*	*	S	Bend	trans	-104.9	129.5	175.9	-67.3	-174.3	168.2	0	0	109.6	A19 Q23	A19-E21 PolarHBondContact O-N 2.74Å; E21-Q23 PolarHBondContact O-N 3.46Å
22	D	59.8	Low	79.3	Confident	175 Å²	175	111.9 Å²	111.9	94%	0.936	64%	0.635	S	S	*	*	S	Bend	trans	-67.4	4.9	-172.7	-80.6	-33	0	0	0	115.4
23	Q	63.4	Low	80.8	Confident	175 Å²	175	114.7 Å²	114.7	82%	0.818	64%	0.644	S	S	*	*			trans	-130.5	106.1	-176.2	-67.3	-177	9.7	0	0	111.3	E21	E21-Q23 PolarHBondContact O-N 3.46Å
24	G	73.5	Confident	82	Confident	56 Å²	56	114.5 Å²	114.5	58%	0.577	64%	0.635	S	S	*	*			trans	-66.3	172.8	166.8	0	0	0	0	0	112.4	V26	G24-V26 PolarHBondContact O-N 3.34Å
25	P	83.7	Confident	82.6	Confident	80 Å²	80	111.9 Å²	111.9	52%	0.519	63%	0.626	S	S	.	*			trans	-63	136.6	-179.8	27.7	-34.5	0	0	0	111.4	F27 A231	P25-F27 HydrophobicContact CB-CE1 4.47Å; P25-F27 HydrophobicContact CB-CE2 4.12Å; P25-F27 HydrophobicContact CB-CZ 3.84Å; P25-F27 HydrophobicContact CG-CE2 4.25Å; P25-F27 HydrophobicContact CG-CZ 4.21Å; P25-A231 HydrophobicContact CG-CB 4.24Å
26	V	89.4	Confident	83	Confident	131 Å²	131	107.5 Å²	107.5	79%	0.794	61%	0.607	S	S	*	*			trans	-114	128.9	173.2	-179.2	0	0	0	0	108.5	G24	G24-V26 PolarHBondContact O-N 3.34Å
27	F	92.3	Very high	83.4	Confident	48 Å²	48	108.7 Å²	108.7	21%	0.211	60%	0.599	C	S	.	*			trans	-107.1	118.7	-178.9	-59.2	-70	0	0	0	110.8	P25 A231 Q234 A238	P25-F27 HydrophobicContact CB-CE1 4.47Å; P25-F27 HydrophobicContact CB-CE2 4.12Å; P25-F27 HydrophobicContact CB-CZ 3.84Å; P25-F27 HydrophobicContact CG-CE2 4.25Å; P25-F27 HydrophobicContact CG-CZ 4.21Å; F27-A231 HydrophobicContact CE2-CB 4.46Å; F27-A231 HydrophobicContact CZ-CB 4.13Å; F27-A231 VanDerWaalsContact CZ-O 3.28Å; F27-A231 WeakPolarHBondContact CZ-O 3.24Å; F27-Q234 HydrophobicContact CD2-CB 3.72Å; F27-Q234 HydrophobicContact CE2-CB 3.66Å; F27-A238 HydrophobicContact CB-CB 3.62Å
28	E	92.2	Very high	83.4	Confident	183 Å²	183	98.3 Å²	98.3	86%	0.855	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-79	136	176.6	-66	-170.8	170.8	0	0	111.4
29	R	91.8	Very high	83.7	Confident	64 Å²	64	99.6 Å²	99.6	24%	0.242	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-81.4	139.9	172.4	-64	-171.1	-172.8	-80.9	-13.9	110.6	V224 A237 I240 S291	R29-V224 PolarHBondContact NH2-O 2.96Å; R29-A237 PolarHBondContact NH1-O 3.44Å; R29-I240 PolarHBondContact NH1-O 2.85Å; R29-S291 VanDerWaalsContact CD-O 3.22Å; R29-S291 WeakPolarHBondContact CD-O 3.42Å; R29-S291 PolarHBondContact NE-O 2.98Å; R29-S291 PolarHBondContact NE-OG 3.29Å; R29-S291 PolarHBondContact NH2-OG 3.21Å
30	T	83.9	Confident	84.5	Confident	83 Å²	83	99 Å²	99	51%	0.509	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-80.2	130.7	173.5	-54.5	0	0	0	0	110.6
31	S	82.6	Confident	85.6	Confident	110 Å²	110	93 Å²	93	77%	0.769	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-70	146.6	171.8	58.9	0	0	0	0	111.5
32	L	88.1	Confident	87	Confident	30 Å²	30	93.3 Å²	93.3	16%	0.157	49%	0.487	C	S	.	.			trans	-114.8	146.5	176.2	-71.7	-171.4	0	0	0	112.5	Y34 K196 S241 I338 D339 L444	L32-Y34 PolarHBondContact O-N 2.96Å; L32-K196 HydrophobicContact CD2-CD 3.25Å; L32-K196 VanDerWaalsContact CD2-NZ 3.31Å; L32-K196 HydrophobicContact CG-CD 4.45Å; L32-S241 WeakPolarHBondContact CD1-OG 3.33Å; L32-I338 HydrophobicContact CD1-CG2 3.51Å; L32-D339 HydrophobicContact CD1-CB 4.41Å; L32-D339 HydrophobicContact CD2-CB 3.73Å; L32-L444 HydrophobicContact CD1-CD1 3.98Å
33	D	94	Very high	88.3	Confident	131 Å²	131	86 Å²	86	70%	0.701	45%	0.449	S	S	*	.			trans	-64.7	123.1	160.5	-73	-15.6	0	0	0	108.8	D339	D33-D339 PolarHBondContact O-N 3.4Å
34	Y	96.5	Very high	89.1	Confident	54 Å²	54	80.9 Å²	80.9	21%	0.212	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.1	-177.4	175.4	-99.7	0	0	0	109.9	L32 P36 R242 D295 A336 N337 I338	L32-Y34 PolarHBondContact O-N 2.96Å; Y34-P36 HydrophobicContact CE1-CB 4.1Å; Y34-P36 HydrophobicContact CE1-CG 4.13Å; Y34-R242 VanDerWaalsContact CE2-CZ 3.44Å; Y34-R242 VanDerWaalsContact CG-NH2 3.32Å; Y34-D295 PolarHBondContact OH-OD1 2.88Å; Y34-D295 PolarHBondContact OH-OD2 3.49Å; Y34-A336 HydrophobicContact CE2-CB 3.78Å; Y34-N337 WeakPolarHBondContact CA-O 3.44Å; Y34-I338 HydrophobicContact CD2-CG1 4.1Å; Y34-I338 HydrophobicContact CE2-CG1 4.34Å
35	S	96.9	Very high	89.4	Confident	55 Å²	55	87.6 Å²	87.6	39%	0.385	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	114.8	170.5	47.2	0	0	0	0	110.6	A336 N337	S35-A336 CarbonylContact O-C 3.59Å; S35-A336 WeakPolarHBondContact O-CA 3.35Å; S35-N337 PolarHBondContact N-O 3.4Å; S35-N337 PolarHBondContact O-N 3.47Å; S35-N337 WeakPolarHBondContact OG-CB 3.24Å
36	P	95	Very high	89.4	Confident	67 Å²	67	89.7 Å²	89.7	44%	0.435	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140.8	175.9	28.8	-32.2	0	0	0	109.9	Y34	Y34-P36 HydrophobicContact CE1-CB 4.1Å; Y34-P36 HydrophobicContact CE1-CG 4.13Å
37	R	93.8	Very high	89.2	Confident	114 Å²	114	85.6 Å²	85.6	43%	0.43	43%	0.433	S	S	.	.			trans	-122.8	51.1	176.5	-59.1	-166.1	89.5	-173.3	4.1	110.6	G335 E399	R37-G335 CarbonylContact C-O 3.43Å; R37-G335 WeakPolarHBondContact CA-O 3.34Å; R37-G335 PolarHBondContact N-O 3.44Å; R37-E399 IonicContact CZ-OE1 3.48Å; R37-E399 IonicContact CZ-OE2 3.17Å; R37-E399 IonicContact NH1-OE1 2.73Å; R37-E399 IonicContact NH1-OE2 3.18Å; R37-E399 PolarHBondContact NH1-OE2 3.12Å; R37-E399 IonicContact NH2-OE1 3.45Å; R37-E399 PolarHBondContact NH2-OE1 3.49Å; R37-E399 IonicContact NH2-OE2 3.51Å
38	T	86.1	Confident	89	Confident	9 Å²	9	89 Å²	89	6%	0.055	45%	0.449	C	S	.	.			trans	-104	-1.2	-177	53.9	0	0	0	0	114	R40 Y41 R42 Y334	T38-R40 VanDerWaalsContact C-N 3.29Å; T38-R40 PolarHBondContact O-N 2.88Å; T38-Y41 PolarHBondContact O-N 3.35Å; T38-R42 PolarHBondContact O-N 3.08Å; T38-Y334 HydrophobicContact CG2-CD2 4.08Å
39	E	88.9	Confident	88.9	Confident	154 Å²	154	85.2 Å²	85.2	72%	0.72	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-56.9	-40.2	-174	-64.6	-179.6	171.2	0	0	113	Y41 R42	E39-Y41 PolarHBondContact O-N 2.9Å; E39-Y41 VanDerWaalsContact O-N 3.17Å; E39-R42 WeakPolarHBondContact O-CB 3.39Å; E39-R42 PolarHBondContact O-N 3.33Å
40	R	90.6	Very high	88.7	Confident	73 Å²	73	86.1 Å²	86.1	28%	0.275	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-65.4	-17.8	178.7	78	-170.6	-55.9	-137.8	5.7	114.1	T38 P394 I396 E398	T38-R40 VanDerWaalsContact C-N 3.29Å; T38-R40 PolarHBondContact O-N 2.88Å; R40-P394 PolarHBondContact NH1-O 2.78Å; R40-P394 PolarHBondContact NH2-O 3.42Å; R40-I396 PolarHBondContact NH1-O 2.85Å; R40-I396 PolarHBondContact NH2-O 2.86Å; R40-E398 IonicContact CZ-OE1 3.76Å; R40-E398 IonicContact NE-OE1 2.74Å; R40-E398 IonicContact NH2-OE1 2.82Å; R40-E398 PolarHBondContact NH2-OE1 2.8Å
41	Y	94.3	Very high	89.1	Confident	4 Å²	4	89.2 Å²	89.2	2%	0.016	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-97.7	-3.5	177.7	-53	-53.5	0	0	0	112.7	T38 E39 V43 P309 Q311 P333 L376 P394	T38-Y41 PolarHBondContact O-N 3.35Å; E39-Y41 PolarHBondContact O-N 2.9Å; E39-Y41 VanDerWaalsContact O-N 3.17Å; Y41-V43 PolarHBondContact O-N 3.35Å; Y41-P309 HydrophobicContact CD1-CB 4.41Å; Y41-P309 HydrophobicContact CG-CB 4.48Å; Y41-P309 WeakPolarHBondContact O-CB 3.27Å; Y41-P309 WeakPolarHBondContact O-CG 3.33Å; Y41-Q311 PolarHBondContact O-NE2 3.45Å; Y41-P333 HydrophobicContact CD1-CB 4.42Å; Y41-P333 HydrophobicContact CD1-CG 4.25Å; Y41-P333 HydrophobicContact CD2-CB 4.26Å; Y41-P333 WeakPolarHBondContact CD2-O 3.39Å; Y41-P333 HydrophobicContact CE1-CB 4.08Å; Y41-P333 HydrophobicContact CE1-CG 4.03Å; Y41-P333 HydrophobicContact CE2-CB 3.92Å; Y41-L376 HydrophobicContact CE1-CD1 4.32Å; Y41-L376 WeakPolarHBondContact OH-CD1 3.43Å; Y41-P394 HydrophobicContact CD1-CB 4.32Å; Y41-P394 HydrophobicContact CE1-CB 4.41Å; Y41-P394 WeakPolarHBondContact CE1-O 3.38Å
42	R	90.3	Very high	89.6	Confident	164 Å²	164	88.5 Å²	88.5	62%	0.619	44%	0.435	S	S	*	.			trans	-77.6	122.8	174.3	-70.5	-173.3	177.8	175.5	0.4	109.9	T38 E39	T38-R42 PolarHBondContact O-N 3.08Å; E39-R42 WeakPolarHBondContact O-CB 3.39Å; E39-R42 PolarHBondContact O-N 3.33Å
43	V	86.9	Confident	89.8	Confident	22 Å²	22	90.2 Å²	90.2	13%	0.133	45%	0.454	C	S	.	.			trans	-99.2	112.3	172	-174.3	0	0	0	0	107.2	Y41 R46 P309 Y387 F389	Y41-V43 PolarHBondContact O-N 3.35Å; V43-R46 HydrophobicContact CG1-CG 3.84Å; V43-P309 HydrophobicContact CG2-CG 3.85Å; V43-Y387 HydrophobicContact CG1-CD1 4.16Å; V43-Y387 HydrophobicContact CG1-CD2 4.2Å; V43-Y387 HydrophobicContact CG1-CE1 3.88Å; V43-Y387 HydrophobicContact CG1-CE2 3.96Å; V43-Y387 HydrophobicContact CG1-CG 4.3Å; V43-Y387 HydrophobicContact CG2-CD1 4.37Å; V43-Y387 HydrophobicContact CG2-CG 4.41Å; V43-F389 HydrophobicContact CG2-CE1 4.39Å; V43-F389 HydrophobicContact CG2-CZ 4.05Å
44	G	80.8	Confident	89.8	Confident	66 Å²	66	88.2 Å²	88.2	68%	0.68	44%	0.44	S	S	*	.			trans	-69.5	-120.7	176.2	0	0	0	0	0	112	R46	G44-R46 PolarHBondContact O-N 3Å; G44-R46 VanDerWaalsContact O-N 3.08Å
45	E	80.4	Confident	89.8	Confident	197 Å²	197	85.6 Å²	85.6	92%	0.921	43%	0.43	S	S	*	.	S	Bend	trans	-63.9	113.8	174	-69.9	-172.3	169.5	0	0	110.8
46	R	82.3	Confident	89.7	Confident	125 Å²	125	85.8 Å²	85.8	47%	0.472	42%	0.423	S	S	.	.			trans	-79.9	124.8	-177.2	-63.8	-179.7	-178	-173.2	-1.1	110.1	V43 G44 F48 N305 Y387	V43-R46 HydrophobicContact CG1-CG 3.84Å; G44-R46 PolarHBondContact O-N 3Å; G44-R46 VanDerWaalsContact O-N 3.08Å; R46-F48 HydrophobicContact CB-CE2 4.1Å; R46-N305 PolarHBondContact NH2-OD1 3.46Å; R46-Y387 HydrophobicContact CB-CE2 4.41Å
47	S	86.2	Confident	89.8	Confident	44 Å²	44	84.4 Å²	84.4	31%	0.308	42%	0.417	S	S	.	.			trans	-130.6	118.6	172.1	-176.8	0	0	0	0	110.6	S49 Y387	S47-S49 PolarHBondContact OG-OG 2.78Å; S47-Y387 PolarHBondContact N-OH 3.37Å; S47-Y387 PolarHBondContact O-OH 2.99Å
48	F	87.9	Confident	89.9	Confident	121 Å²	121	79.7 Å²	79.7	53%	0.531	40%	0.402	S	S	.	.			trans	-99.2	11.7	178.3	-66.1	-85.7	0	0	0	112.8	R46 R50 Y387 P388	R46-F48 HydrophobicContact CB-CE2 4.1Å; F48-R50 PolarHBondContact O-N 3.43Å; F48-Y387 AromaticContact CE1-CD2 3.94Å; F48-Y387 HydrophobicContact CE1-CD2 3.94Å; F48-Y387 HydrophobicContact CE1-CE2 4.34Å; F48-Y387 HydrophobicContact CZ-CD2 4.11Å; F48-Y387 HydrophobicContact CZ-CE2 4.34Å; F48-P388 HydrophobicContact CD1-CG 4.43Å
49	S	89.3	Confident	90.4	Very high	103 Å²	103	79.3 Å²	79.3	72%	0.72	40%	0.4	S	S	*	.			trans	-73.7	-3.6	179.4	57.8	0	0	0	0	114	S47	S47-S49 PolarHBondContact OG-OG 2.78Å
50	R	88.6	Confident	90.8	Very high	82 Å²	82	72.2 Å²	72.2	31%	0.309	37%	0.367	S	S	.	.	S	Bend	trans	-99.8	150.8	-172.6	-63.8	-178.2	177.3	142	-6.3	112.2	F48 P388 Y390	F48-R50 PolarHBondContact O-N 3.43Å; R50-P388 HydrophobicContact CB-CB 4.38Å; R50-Y390 PolarHBondContact NH2-OH 2.82Å
51	Q	91.6	Very high	91.1	Very high	149 Å²	149	74.4 Å²	74.4	70%	0.696	38%	0.382	S	S	*	.			trans	-88.8	150.7	173.7	-65.9	-178.8	-18.1	0	0	111.9	A53 H54	Q51-A53 VanDerWaalsContact C-N 3.29Å; Q51-A53 PolarHBondContact O-N 3.37Å; Q51-H54 PolarHBondContact O-ND1 3.12Å
52	Y	94.1	Very high	91.2	Very high	94 Å²	94	77.3 Å²	77.3	37%	0.369	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.9	-177.9	-72.7	-66.1	0	0	0	115.2	H54 I55 P381 C386 P388	Y52-H54 PolarHBondContact O-N 3.07Å; Y52-I55 VanDerWaalsContact O-CG2 3.22Å; Y52-I55 WeakPolarHBondContact O-CG2 3.23Å; Y52-I55 PolarHBondContact O-N 3.05Å; Y52-I55 VanDerWaalsContact O-N 3.08Å; Y52-P381 HydrophobicContact CD1-CB 3.46Å; Y52-P381 VanDerWaalsContact CD1-CB 3.46Å; Y52-P381 HydrophobicContact CD1-CG 3.48Å; Y52-P381 VanDerWaalsContact CD1-CG 3.48Å; Y52-P381 HydrophobicContact CD2-CB 4.45Å; Y52-P381 HydrophobicContact CD2-CG 4.5Å; Y52-P381 HydrophobicContact CE1-CB 3.57Å; Y52-P381 HydrophobicContact CE1-CG 4.15Å; Y52-P381 HydrophobicContact CG-CB 3.94Å; Y52-P381 HydrophobicContact CG-CG 3.7Å; Y52-C386 WeakPolarHBondContact CE1-O 3.48Å; Y52-C386 PolarHBondContact OH-O 2.97Å; Y52-C386 VanDerWaalsContact OH-O 3.1Å; Y52-P388 HydrophobicContact CD1-CB 3.94Å; Y52-P388 HydrophobicContact CE1-CB 3.79Å
53	A	92.4	Very high	91.6	Very high	66 Å²	66	69.7 Å²	69.7	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-54.5	-32.7	178.9	0	0	0	0	0	113.3	Q51 I55 Y56 A57	Q51-A53 VanDerWaalsContact C-N 3.29Å; Q51-A53 PolarHBondContact O-N 3.37Å; A53-I55 VanDerWaalsContact C-N 3.32Å; A53-I55 PolarHBondContact O-N 3.3Å; A53-Y56 PolarHBondContact O-N 3.5Å; A53-A57 PolarHBondContact O-N 3.08Å; A53-A57 VanDerWaalsContact O-N 3.12Å
54	H	93.7	Very high	92.1	Very high	89 Å²	89	71 Å²	71	41%	0.412	37%	0.369	S	S	.	.	H	α-helix	trans	-64.8	-31.9	-179.4	-55.7	91.7	0	0	0	113.5	Q51 Y52 A58	Q51-H54 PolarHBondContact O-ND1 3.12Å; Y52-H54 PolarHBondContact O-N 3.07Å; H54-A58 WeakPolarHBondContact O-CB 3.3Å; H54-A58 PolarHBondContact O-N 3.16Å
55	I	95.3	Very high	92.9	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-70.5	-41.7	-179.3	-158.7	176.1	0	0	0	111	Y52 A53 A58 R59 P381 F389 D393	Y52-I55 VanDerWaalsContact O-CG2 3.22Å; Y52-I55 WeakPolarHBondContact O-CG2 3.23Å; Y52-I55 PolarHBondContact O-N 3.05Å; Y52-I55 VanDerWaalsContact O-N 3.08Å; A53-I55 VanDerWaalsContact C-N 3.32Å; A53-I55 PolarHBondContact O-N 3.3Å; I55-A58 PolarHBondContact O-N 3.19Å; I55-R59 VanDerWaalsContact O-CB 3.28Å; I55-R59 WeakPolarHBondContact O-CB 3.2Å; I55-R59 PolarHBondContact O-N 3.19Å; I55-P381 HydrophobicContact CG2-CG 4Å; I55-F389 HydrophobicContact CD1-CB 4.28Å; I55-F389 HydrophobicContact CD1-CD2 4.25Å; I55-F389 HydrophobicContact CG1-CB 4.31Å; I55-F389 PolarHBondContact N-O 2.97Å; I55-D393 HydrophobicContact CG1-CB 4.21Å
56	Y	96.1	Very high	93.7	Very high	58 Å²	58	64.1 Å²	64.1	23%	0.227	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-41.2	175.9	-69.8	-68.6	0	0	0	111.7	A53 R59 L60 T98 P381	A53-Y56 PolarHBondContact O-N 3.5Å; Y56-R59 PolarHBondContact O-N 3.29Å; Y56-L60 WeakPolarHBondContact O-CB 3.45Å; Y56-L60 PolarHBondContact O-N 3.06Å; Y56-T98 HydrophobicContact CD1-CG2 4.33Å; Y56-P381 HydrophobicContact CE2-CG 3.95Å; Y56-P381 WeakPolarHBondContact OH-CD 3.31Å
57	A	95.6	Very high	94.5	Very high	39 Å²	39	58.1 Å²	58.1	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-47.7	175.6	0	0	0	0	0	111.5	A53 R59 L60 M61	A53-A57 PolarHBondContact O-N 3.08Å; A53-A57 VanDerWaalsContact O-N 3.12Å; A57-R59 VanDerWaalsContact C-N 3.34Å; A57-R59 PolarHBondContact O-N 3.1Å; A57-L60 PolarHBondContact O-N 2.89Å; A57-M61 HydrophobicContact CB-CE 4.01Å; A57-M61 WeakPolarHBondContact O-CB 3.33Å; A57-M61 VanDerWaalsContact O-CG 3.26Å; A57-M61 WeakPolarHBondContact O-CG 3.2Å; A57-M61 PolarHBondContact O-N 3.43Å
58	A	95.8	Very high	95	Very high	14 Å²	14	57 Å²	57	12%	0.116	30%	0.299	C	S	.	.	H	α-helix	trans	-60.4	-44.2	175.9	0	0	0	0	0	111.5	H54 I55 M61 E62	H54-A58 WeakPolarHBondContact O-CB 3.3Å; H54-A58 PolarHBondContact O-N 3.16Å; I55-A58 PolarHBondContact O-N 3.19Å; A58-M61 PolarHBondContact O-N 3.37Å; A58-E62 WeakPolarHBondContact O-CB 3.4Å; A58-E62 PolarHBondContact O-N 2.89Å
59	R	97.6	Very high	95.4	Very high	1 Å²	1	58 Å²	58	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-50.1	179	-174	-172.3	-62.5	175	0.5	112.4	I55 Y56 A57 M61 E62 M63 G158 V160 H375 P378 A380 D393 I396	I55-R59 VanDerWaalsContact O-CB 3.28Å; I55-R59 WeakPolarHBondContact O-CB 3.2Å; I55-R59 PolarHBondContact O-N 3.19Å; Y56-R59 PolarHBondContact O-N 3.29Å; A57-R59 VanDerWaalsContact C-N 3.34Å; A57-R59 PolarHBondContact O-N 3.1Å; R59-M61 PolarHBondContact O-N 2.68Å; R59-E62 PolarHBondContact O-N 3.46Å; R59-M63 HydrophobicContact CG-CG 4.42Å; R59-M63 VanDerWaalsContact O-CB 3.3Å; R59-M63 WeakPolarHBondContact O-CB 3.43Å; R59-M63 VanDerWaalsContact O-CG 3.23Å; R59-M63 WeakPolarHBondContact O-CG 3.27Å; R59-M63 PolarHBondContact O-N 2.79Å; R59-G158 PolarHBondContact NH1-O 3.42Å; R59-V160 HydrophobicContact CG-CG2 3.78Å; R59-H375 VanDerWaalsContact CZ-NE2 3.34Å; R59-H375 PolarHBondContact NE-NE2 3.27Å; R59-H375 PolarHBondContact NH2-NE2 3.42Å; R59-P378 PolarHBondContact NH1-O 2.71Å; R59-A380 PolarHBondContact NH1-O 3.04Å; R59-A380 PolarHBondContact NH2-O 3.25Å; R59-D393 HydrophobicContact CB-CB 4.38Å; R59-D393 IonicContact CZ-OD2 3.72Å; R59-D393 VanDerWaalsContact CZ-OD2 3.25Å; R59-D393 IonicContact NE-OD2 3.86Å; R59-D393 PolarHBondContact NE-OD2 3.43Å; R59-D393 IonicContact NH2-OD2 2.72Å; R59-D393 PolarHBondContact NH2-OD2 3.31Å; R59-I396 HydrophobicContact CB-CD1 4.5Å; R59-I396 HydrophobicContact CG-CD1 4.18Å
60	L	97.4	Very high	95.8	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-42.2	179.6	-178.9	60.3	0	0	0	111.4	Y56 A57 E62 M63 R64 V96 E140 V160	Y56-L60 WeakPolarHBondContact O-CB 3.45Å; Y56-L60 PolarHBondContact O-N 3.06Å; A57-L60 PolarHBondContact O-N 2.89Å; L60-E62 PolarHBondContact O-N 3.46Å; L60-M63 PolarHBondContact O-N 2.74Å; L60-R64 WeakPolarHBondContact O-CB 3.37Å; L60-R64 PolarHBondContact O-N 2.94Å; L60-V96 HydrophobicContact CD1-CG1 4.36Å; L60-E140 HydrophobicContact CD2-CG 4.15Å; L60-V160 HydrophobicContact CD1-CG1 3.8Å
61	M	96.4	Very high	96.2	Very high	118 Å²	118	51.4 Å²	51.4	58%	0.581	26%	0.264	S	S	*	.	H	α-helix	trans	-63	-40.8	178.2	-73.6	-176.3	-137.7	0	0	112.6	A57 A58 R59 P65	A57-M61 HydrophobicContact CB-CE 4.01Å; A57-M61 WeakPolarHBondContact O-CB 3.33Å; A57-M61 VanDerWaalsContact O-CG 3.26Å; A57-M61 WeakPolarHBondContact O-CG 3.2Å; A57-M61 PolarHBondContact O-N 3.43Å; A58-M61 PolarHBondContact O-N 3.37Å; R59-M61 PolarHBondContact O-N 2.68Å; M61-P65 VanDerWaalsContact O-CD 3.24Å; M61-P65 WeakPolarHBondContact O-CD 3.47Å
62	E	96.8	Very high	96.5	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-73.3	-37.6	179.9	-171.4	171.4	163.5	0	0	112.2	A58 R59 L60 I396	A58-E62 WeakPolarHBondContact O-CB 3.4Å; A58-E62 PolarHBondContact O-N 2.89Å; R59-E62 PolarHBondContact O-N 3.46Å; L60-E62 PolarHBondContact O-N 3.46Å; E62-I396 HydrophobicContact CB-CD1 3.82Å; E62-I396 HydrophobicContact CG-CD1 3.89Å
63	M	98	Very high	96.5	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.02	27%	0.27	C	S	.	.	H	α-helix	trans	-82.1	-25.4	-177.4	-68.5	-64.3	-71.6	0	0	113.8	R59 L60 V66 L67 V160 A181 L373 R374 I396	R59-M63 HydrophobicContact CG-CG 4.42Å; R59-M63 VanDerWaalsContact O-CB 3.3Å; R59-M63 WeakPolarHBondContact O-CB 3.43Å; R59-M63 VanDerWaalsContact O-CG 3.23Å; R59-M63 WeakPolarHBondContact O-CG 3.27Å; R59-M63 PolarHBondContact O-N 2.79Å; L60-M63 PolarHBondContact O-N 2.74Å; M63-V66 PolarHBondContact O-N 3.11Å; M63-L67 HydrophobicContact CB-CD1 4.26Å; M63-L67 PolarHBondContact O-N 3.46Å; M63-V160 HydrophobicContact CB-CB 4.08Å; M63-V160 HydrophobicContact CB-CG1 3.89Å; M63-V160 HydrophobicContact CB-CG2 4.39Å; M63-V160 HydrophobicContact CG-CB 4.36Å; M63-V160 HydrophobicContact CG-CG2 4.38Å; M63-A181 HydrophobicContact CE-CB 3.45Å; M63-A181 VanDerWaalsContact CE-CB 3.45Å; M63-L373 WeakPolarHBondContact CE-O 3.48Å; M63-R374 HydrophobicContact CE-CB 4.07Å; M63-I396 HydrophobicContact CG-CD1 4.04Å; M63-I396 HydrophobicContact CG-CG1 4.49Å; M63-I396 HydrophobicContact SD-CD1 4.35Å; M63-I396 HydrophobicContact SD-CG1 4.36Å; M63-I396 HydrophobicContact SD-CG2 3.92Å
64	R	97.7	Very high	96.7	Very high	50 Å²	50	53.7 Å²	53.7	19%	0.189	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-46.9	-175.8	177.8	178.3	-76.2	169.6	-2.5	113.9	L60 V66 L67 S68 V96 E140	L60-R64 WeakPolarHBondContact O-CB 3.37Å; L60-R64 PolarHBondContact O-N 2.94Å; R64-V66 VanDerWaalsContact C-N 3.33Å; R64-V66 PolarHBondContact O-N 2.89Å; R64-L67 PolarHBondContact O-N 3.48Å; R64-S68 VanDerWaalsContact O-CB 3.27Å; R64-S68 WeakPolarHBondContact O-CB 3.32Å; R64-S68 PolarHBondContact O-N 3.4Å; R64-S68 PolarHBondContact O-OG 3.01Å; R64-V96 HydrophobicContact CB-CG1 4.26Å; R64-V96 HydrophobicContact CG-CB 4.36Å; R64-V96 HydrophobicContact CG-CG1 4.34Å; R64-E140 IonicContact CZ-OE1 3.64Å; R64-E140 VanDerWaalsContact CZ-OE1 3.25Å; R64-E140 IonicContact CZ-OE2 3.63Å; R64-E140 IonicContact NH1-OE1 2.72Å; R64-E140 PolarHBondContact NH1-OE1 2.93Å; R64-E140 IonicContact NH1-OE2 2.83Å; R64-E140 PolarHBondContact NH1-OE2 2.98Å; R64-E140 VanDerWaalsContact NH2-CD 3.29Å; R64-E140 IonicContact NH2-OE1 2.71Å; R64-E140 PolarHBondContact NH2-OE1 2.8Å; R64-E140 IonicContact NH2-OE2 3.23Å; R64-E140 PolarHBondContact NH2-OE2 2.9Å
65	P	97.6	Very high	96.9	Very high	85 Å²	85	52.1 Å²	52.1	55%	0.552	25%	0.254	S	S	*	.	H	α-helix	trans	-59.3	-43.3	177	-24.7	34.5	0	0	0	112.5	M61 S68 E69	M61-P65 VanDerWaalsContact O-CD 3.24Å; M61-P65 WeakPolarHBondContact O-CD 3.47Å; P65-S68 PolarHBondContact O-N 2.92Å; P65-E69 PolarHBondContact O-N 3.33Å
66	V	97.4	Very high	97	Very high	33 Å²	33	53.2 Å²	53.2	20%	0.2	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-50.8	179.7	177.3	0	0	0	0	111	M63 R64 S68 E69 R70 A181	M63-V66 PolarHBondContact O-N 3.11Å; R64-V66 VanDerWaalsContact C-N 3.33Å; R64-V66 PolarHBondContact O-N 2.89Å; V66-S68 VanDerWaalsContact C-N 3.32Å; V66-S68 PolarHBondContact O-N 3.06Å; V66-E69 PolarHBondContact O-N 3.11Å; V66-R70 WeakPolarHBondContact O-CG 3.48Å; V66-R70 PolarHBondContact O-N 2.81Å; V66-A181 HydrophobicContact CG1-CB 3.89Å
67	L	98.1	Very high	97	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.8	-33.2	179.9	-77.9	164.6	0	0	0	112.5	M63 R64 E69 R70 A71 V96 V160 A162 T180 A181	M63-L67 HydrophobicContact CB-CD1 4.26Å; M63-L67 PolarHBondContact O-N 3.46Å; R64-L67 PolarHBondContact O-N 3.48Å; L67-E69 VanDerWaalsContact C-N 3.33Å; L67-E69 PolarHBondContact O-N 2.81Å; L67-R70 PolarHBondContact O-N 3.08Å; L67-A71 VanDerWaalsContact O-CB 3.23Å; L67-A71 WeakPolarHBondContact O-CB 3.38Å; L67-A71 PolarHBondContact O-N 3.46Å; L67-V96 HydrophobicContact CB-CG1 3.87Å; L67-V96 HydrophobicContact CB-CG2 3.99Å; L67-V96 HydrophobicContact CD1-CG1 3.67Å; L67-V96 HydrophobicContact CG-CG1 4.44Å; L67-V160 HydrophobicContact CD1-CB 4.08Å; L67-V160 HydrophobicContact CD1-CG1 3.52Å; L67-A162 HydrophobicContact CB-CB 4.34Å; L67-A162 HydrophobicContact CD2-CB 4.32Å; L67-T180 VanDerWaalsContact CD2-C 3.47Å; L67-A181 HydrophobicContact CD2-CB 4.13Å; L67-A181 HydrophobicContact CG-CB 4.34Å
68	S	98	Very high	96.9	Very high	21 Å²	21	60.1 Å²	60.1	15%	0.147	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-38.9	174.8	-60.3	0	0	0	0	111.7	R64 P65 V66 K72	R64-S68 VanDerWaalsContact O-CB 3.27Å; R64-S68 WeakPolarHBondContact O-CB 3.32Å; R64-S68 PolarHBondContact O-N 3.4Å; R64-S68 PolarHBondContact O-OG 3.01Å; P65-S68 PolarHBondContact O-N 2.92Å; V66-S68 VanDerWaalsContact C-N 3.32Å; V66-S68 PolarHBondContact O-N 3.06Å; S68-K72 WeakPolarHBondContact O-CG 3.32Å; S68-K72 PolarHBondContact O-N 3.17Å; S68-K72 VanDerWaalsContact O-N 3.1Å
69	E	96.6	Very high	96.9	Very high	141 Å²	141	60.2 Å²	60.2	66%	0.659	31%	0.306	S	S	*	.	H	α-helix	trans	-68.2	-45.5	174.5	-171.5	178.5	-177.5	0	0	111.5	P65 V66 L67 A71 K72 H73	P65-E69 PolarHBondContact O-N 3.33Å; V66-E69 PolarHBondContact O-N 3.11Å; L67-E69 VanDerWaalsContact C-N 3.33Å; L67-E69 PolarHBondContact O-N 2.81Å; E69-A71 VanDerWaalsContact C-N 3.32Å; E69-A71 PolarHBondContact O-N 3.17Å; E69-K72 PolarHBondContact O-N 2.8Å; E69-H73 PolarHBondContact O-N 3.07Å
70	R	96	Very high	96.9	Very high	47 Å²	47	65.3 Å²	65.3	18%	0.177	33%	0.329	C	S	.	.	H	α-helix	trans	-61.4	-39.2	175.7	-69.1	-63.5	-170.7	-163.1	-1.4	112.2	V66 L67 H73 K74 A181 L183 D421	V66-R70 WeakPolarHBondContact O-CG 3.48Å; V66-R70 PolarHBondContact O-N 2.81Å; L67-R70 PolarHBondContact O-N 3.08Å; R70-H73 PolarHBondContact O-N 2.9Å; R70-K74 WeakPolarHBondContact O-CB 3.39Å; R70-K74 PolarHBondContact O-N 3.03Å; R70-A181 PolarHBondContact NE-O 2.78Å; R70-L183 PolarHBondContact NH2-O 2.98Å; R70-D421 IonicContact CZ-OD2 2.81Å; R70-D421 IonicContact NH1-OD2 2.72Å; R70-D421 IonicContact NH2-OD2 3.71Å; R70-D421 PolarHBondContact NH2-OD2 2.77Å; R70-D421 VanDerWaalsContact NH2-OD2 3.16Å
71	A	97.6	Very high	96.8	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-47.2	174	0	0	0	0	0	111.6	L67 E69 H73 K74 W75 A162	L67-A71 VanDerWaalsContact O-CB 3.23Å; L67-A71 WeakPolarHBondContact O-CB 3.38Å; L67-A71 PolarHBondContact O-N 3.46Å; E69-A71 VanDerWaalsContact C-N 3.32Å; E69-A71 PolarHBondContact O-N 3.17Å; A71-H73 VanDerWaalsContact C-N 3.32Å; A71-H73 PolarHBondContact O-N 2.87Å; A71-K74 PolarHBondContact O-N 2.76Å; A71-W75 HydrophobicContact CB-CE3 3.68Å; A71-W75 HydrophobicContact CB-CZ3 3.62Å; A71-W75 PolarHBondContact O-N 2.83Å; A71-A162 HydrophobicContact CB-CB 4.34Å
72	K	97.5	Very high	96.8	Very high	104 Å²	104	66 Å²	66	45%	0.452	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-37.8	175.9	-73.7	172.4	-178.8	-176.9	0	112.7	S68 E69 G76 V79 I81	S68-K72 WeakPolarHBondContact O-CG 3.32Å; S68-K72 PolarHBondContact O-N 3.17Å; S68-K72 VanDerWaalsContact O-N 3.1Å; E69-K72 PolarHBondContact O-N 2.8Å; K72-G76 WeakPolarHBondContact CA-O 3.06Å; K72-G76 CarbonylContact O-C 3.59Å; K72-G76 WeakPolarHBondContact O-CA 3.34Å; K72-G76 PolarHBondContact O-N 2.94Å; K72-V79 HydrophobicContact CB-CG1 4.45Å; K72-V79 HydrophobicContact CG-CG1 3.81Å; K72-I81 HydrophobicContact CG-CD1 4.44Å
73	H	95.6	Very high	96.7	Very high	156 Å²	156	67.2 Å²	67.2	72%	0.722	33%	0.333	S	S	*	.	H	α-helix	trans	-67.6	-39.1	175.8	-174.4	-84.5	0	0	0	112.1	E69 R70 A71	E69-H73 PolarHBondContact O-N 3.07Å; R70-H73 PolarHBondContact O-N 2.9Å; A71-H73 VanDerWaalsContact C-N 3.32Å; A71-H73 PolarHBondContact O-N 2.87Å
74	K	96.8	Very high	96.6	Very high	97 Å²	97	67.2 Å²	67.2	42%	0.422	33%	0.333	S	S	.	.	H	α-helix	trans	-79.3	-44.4	-177	-169.5	178	-175.8	-169	0	113.4	R70 A71 D177 F178 C179	R70-K74 WeakPolarHBondContact O-CB 3.39Å; R70-K74 PolarHBondContact O-N 3.03Å; A71-K74 PolarHBondContact O-N 2.76Å; K74-D177 WeakPolarHBondContact CE-OD2 3.39Å; K74-D177 IonicContact NZ-OD1 3.97Å; K74-D177 PolarHBondContact NZ-OD1 2.89Å; K74-D177 IonicContact NZ-OD2 3.25Å; K74-D177 PolarHBondContact NZ-OD2 3.23Å; K74-F178 PolarHBondContact NZ-O 3.11Å; K74-C179 HydrophobicContact CD-CB 3.73Å
75	W	97.6	Very high	96.4	Very high	55 Å²	55	67.3 Å²	67.3	21%	0.208	34%	0.341	C	S	.	.	H	α-helix	trans	-109	1.3	-172.2	-57.8	-49.6	0	0	0	114	A71 V79 C94 A162 F164 D177	A71-W75 HydrophobicContact CB-CE3 3.68Å; A71-W75 HydrophobicContact CB-CZ3 3.62Å; A71-W75 PolarHBondContact O-N 2.83Å; W75-V79 HydrophobicContact CB-CB 4.19Å; W75-V79 HydrophobicContact CB-CG2 4.01Å; W75-V79 HydrophobicContact CE3-CG2 4.18Å; W75-C94 HydrophobicContact CE3-CB 4.31Å; W75-C94 HydrophobicContact CZ3-CB 4.16Å; W75-C94 VanDerWaalsContact CZ3-SG 3.55Å; W75-A162 HydrophobicContact CH2-CB 4.28Å; W75-A162 HydrophobicContact CZ3-CB 4.15Å; W75-F164 HydrophobicContact CD2-CB 3.85Å; W75-F164 HydrophobicContact CD2-CD2 4.27Å; W75-F164 HydrophobicContact CD2-CG 4.1Å; W75-F164 HydrophobicContact CE3-CB 3.98Å; W75-F164 HydrophobicContact CE3-CD2 4.32Å; W75-F164 HydrophobicContact CE3-CG 4.41Å; W75-F164 HydrophobicContact CG-CG 4.46Å; W75-F164 HydrophobicContact CH2-CB 3.6Å; W75-F164 HydrophobicContact CZ2-CB 3.45Å; W75-F164 VanDerWaalsContact CZ2-CB 3.45Å; W75-F164 HydrophobicContact CZ2-CG 4.48Å; W75-F164 HydrophobicContact CZ3-CB 3.87Å; W75-D177 HydrophobicContact CZ2-CB 4.06Å; W75-D177 PolarHBondContact NE1-OD2 2.74Å
76	G	96.6	Very high	96.2	Very high	24 Å²	24	67 Å²	67	25%	0.247	34%	0.335	C	S	.	.			trans	100.3	159.1	178.1	0	0	0	0	0	113.6	K72 D78 V79	K72-G76 WeakPolarHBondContact CA-O 3.06Å; K72-G76 CarbonylContact O-C 3.59Å; K72-G76 WeakPolarHBondContact O-CA 3.34Å; K72-G76 PolarHBondContact O-N 2.94Å; G76-D78 PolarHBondContact O-N 2.91Å; G76-V79 WeakPolarHBondContact O-CB 3.22Å; G76-V79 WeakPolarHBondContact O-CG1 3.37Å; G76-V79 PolarHBondContact O-N 3.1Å
77	P	95.6	Very high	96	Very high	104 Å²	104	67 Å²	67	68%	0.675	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-24	-174.4	27.4	-35.4	0	0	0	113.4	V79	P77-V79 VanDerWaalsContact C-N 3.32Å
78	D	94.3	Very high	95.8	Very high	138 Å²	138	72.6 Å²	72.6	74%	0.738	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	7.7	-177.9	-55.5	-44.3	0	0	0	113.1	G76 H80	G76-D78 PolarHBondContact O-N 2.91Å; D78-H80 PolarHBondContact O-CE1 2.78Å; D78-H80 PolarHBondContact O-N 3.27Å; D78-H80 PolarHBondContact O-ND1 2.85Å
79	V	96.3	Very high	95.5	Very high	16 Å²	16	75.5 Å²	75.5	10%	0.097	38%	0.376	C	S	.	.			trans	-59.9	127.4	176.6	69.3	0	0	0	0	110.4	K72 W75 G76 P77 I81 C94 F164	K72-V79 HydrophobicContact CB-CG1 4.45Å; K72-V79 HydrophobicContact CG-CG1 3.81Å; W75-V79 HydrophobicContact CB-CB 4.19Å; W75-V79 HydrophobicContact CB-CG2 4.01Å; W75-V79 HydrophobicContact CE3-CG2 4.18Å; G76-V79 WeakPolarHBondContact O-CB 3.22Å; G76-V79 WeakPolarHBondContact O-CG1 3.37Å; G76-V79 PolarHBondContact O-N 3.1Å; P77-V79 VanDerWaalsContact C-N 3.32Å; V79-I81 HydrophobicContact CG1-CD1 4.48Å; V79-I81 HydrophobicContact CG1-CG1 4.18Å; V79-I81 PolarHBondContact O-N 2.93Å; V79-I81 VanDerWaalsContact O-N 3.16Å; V79-C94 HydrophobicContact CG2-CB 3.68Å; V79-F164 HydrophobicContact CG2-CD2 3.98Å; V79-F164 HydrophobicContact CG2-CE2 4Å
80	H	96.2	Very high	95.3	Very high	107 Å²	107	71.4 Å²	71.4	50%	0.495	37%	0.372	S	S	.	.			trans	-81.6	97.7	-175.9	-71.9	55.8	0	0	0	109.8	D78 C93 C94	D78-H80 PolarHBondContact O-CE1 2.78Å; D78-H80 PolarHBondContact O-N 3.27Å; D78-H80 PolarHBondContact O-ND1 2.85Å; H80-C93 HydrophobicContact CB-CB 4.5Å; H80-C93 CarbonylContact O-C 3.58Å; H80-C93 WeakPolarHBondContact O-CA 3.18Å; H80-C93 WeakPolarHBondContact O-CB 3.48Å; H80-C94 PolarHBondContact O-N 3.11Å
81	I	96.6	Very high	95.3	Very high	57 Å²	57	70.9 Å²	70.9	29%	0.292	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.1	177.5	-55.2	177.4	0	0	0	109	K72 V79 C94	K72-I81 HydrophobicContact CG-CD1 4.44Å; V79-I81 HydrophobicContact CG1-CD1 4.48Å; V79-I81 HydrophobicContact CG1-CG1 4.18Å; V79-I81 PolarHBondContact O-N 2.93Å; V79-I81 VanDerWaalsContact O-N 3.16Å; I81-C94 CarbonylContact C-O 3.57Å; I81-C94 WeakPolarHBondContact CA-O 3.4Å; I81-C94 HydrophobicContact CG1-CB 4.19Å
82	R	95.7	Very high	95.2	Very high	83 Å²	83	74.6 Å²	74.6	31%	0.313	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	158.6	-178.1	-64.4	-68.7	-168.9	165	7.4	111.2	E91 C93 C94	R82-E91 IonicContact CZ-OE1 3.22Å; R82-E91 IonicContact CZ-OE2 3.25Å; R82-E91 IonicContact NE-OE1 3.99Å; R82-E91 PolarHBondContact NE-OE1 2.91Å; R82-E91 IonicContact NE-OE2 2.65Å; R82-E91 IonicContact NH2-OE1 2.78Å; R82-E91 PolarHBondContact NH2-OE1 3.11Å; R82-E91 IonicContact NH2-OE2 3.47Å; R82-C93 HydrophobicContact CB-CB 4.37Å; R82-C93 HydrophobicContact CG-CB 3.85Å; R82-C94 PolarHBondContact N-O 2.81Å
83	K	95.5	Very high	95.2	Very high	90 Å²	90	69.7 Å²	69.7	39%	0.391	37%	0.367	S	S	.	.			trans	-86.3	160.9	160.9	-64.8	-176.3	178.9	-175.4	0	109.2	C85 D86	K83-C85 PolarHBondContact O-N 3.4Å; K83-D86 PolarHBondContact O-N 3.23Å; K83-D86 VanDerWaalsContact O-N 3.11Å
84	L	95.1	Very high	95.4	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.021	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-61.1	-35.8	179.5	-69.9	173.4	0	0	0	111.9	D86 L87 I95 D139 Q142 I144	L84-D86 PolarHBondContact O-N 3.28Å; L84-L87 HydrophobicContact CD2-CD1 3.84Å; L84-L87 WeakPolarHBondContact O-CB 3.41Å; L84-L87 WeakPolarHBondContact O-CG 3.02Å; L84-L87 PolarHBondContact O-N 3Å; L84-I95 HydrophobicContact CD2-CD1 3.63Å; L84-I95 HydrophobicContact CD2-CG2 3.95Å; L84-I95 HydrophobicContact CG-CG2 4.13Å; L84-D139 VanDerWaalsContact CB-OD2 3.25Å; L84-D139 WeakPolarHBondContact CB-OD2 3.14Å; L84-D139 HydrophobicContact CD1-CB 3.81Å; L84-D139 HydrophobicContact CG-CB 4.1Å; L84-D139 PolarHBondContact N-OD2 3.04Å; L84-Q142 HydrophobicContact CB-CB 3.96Å; L84-Q142 HydrophobicContact CD1-CB 4.34Å; L84-Q142 VanDerWaalsContact CD1-O 3.29Å; L84-Q142 WeakPolarHBondContact CD1-O 3.5Å; L84-Q142 PolarHBondContact O-OE1 3.06Å; L84-I144 HydrophobicContact CD1-CG2 4.42Å; L84-I144 HydrophobicContact CD2-CB 4.13Å; L84-I144 HydrophobicContact CD2-CG2 3.42Å; L84-I144 VanDerWaalsContact CD2-CG2 3.42Å
85	C	94	Very high	95.4	Very high	51 Å²	51	57.7 Å²	57.7	35%	0.345	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-67.5	-16.9	179.1	62.9	0	0	0	0	114.7	K83 L141	K83-C85 PolarHBondContact O-N 3.4Å; C85-L141 HydrophobicContact CB-CD1 4.48Å
86	D	93.9	Very high	95.4	Very high	80 Å²	80	55.2 Å²	55.2	43%	0.428	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-104.7	16.4	-176.6	-54.8	-33	0	0	0	111.6	K83 L84	K83-D86 PolarHBondContact O-N 3.23Å; K83-D86 VanDerWaalsContact O-N 3.11Å; L84-D86 PolarHBondContact O-N 3.28Å
87	L	92.6	Very high	95.5	Very high	31 Å²	31	54 Å²	54	16%	0.162	29%	0.292	C	S	.	.			trans	-71.5	131.3	179.9	-78.1	172.2	0	0	0	111.9	L84 C93 I95 I144 F173	L84-L87 HydrophobicContact CD2-CD1 3.84Å; L84-L87 WeakPolarHBondContact O-CB 3.41Å; L84-L87 WeakPolarHBondContact O-CG 3.02Å; L84-L87 PolarHBondContact O-N 3Å; L87-C93 WeakPolarHBondContact CD2-SG 3.19Å; L87-I95 HydrophobicContact CD1-CD1 3.87Å; L87-I95 HydrophobicContact CD2-CD1 3.65Å; L87-I95 HydrophobicContact CD2-CG1 4.44Å; L87-I95 HydrophobicContact CG-CD1 4.14Å; L87-I144 HydrophobicContact CD1-CD1 3.95Å; L87-F173 HydrophobicContact CD2-CE2 4.24Å
88	E	92.6	Very high	95.7	Very high	119 Å²	119	49.7 Å²	49.7	56%	0.556	26%	0.264	S	S	*	.			trans	-107.4	129.3	169.1	-63.6	-179.4	-168.5	0	0	109.5	G90 E91	E88-G90 PolarHBondContact O-N 3.22Å; E88-E91 HydrophobicContact CB-CB 3.97Å; E88-E91 VanDerWaalsContact O-CB 3.29Å; E88-E91 WeakPolarHBondContact O-CB 3.46Å; E88-E91 PolarHBondContact O-N 2.84Å
89	T	93.4	Very high	95.9	Very high	82 Å²	82	43.2 Å²	43.2	50%	0.503	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	124.5	-177.3	-51.7	0	0	0	0	111	E91 E167 N169	T89-E91 VanDerWaalsContact C-N 3.34Å; T89-E167 PolarHBondContact OG1-OE2 2.89Å; T89-N169 VanDerWaalsContact CG2-OD1 3.27Å; T89-N169 WeakPolarHBondContact CG2-OD1 3.26Å
90	G	92.4	Very high	95.9	Very high	55 Å²	55	45 Å²	45	57%	0.567	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.9	-4.5	-176	0	0	0	0	0	116	E88 E167	E88-G90 PolarHBondContact O-N 3.22Å; G90-E167 PolarHBondContact N-O 2.94Å
91	E	94.9	Very high	96	Very high	35 Å²	35	40 Å²	40	16%	0.164	21%	0.213	C	C	.	.			trans	-72.7	127.8	173	-173.5	-170.1	-169	0	0	110.4	R82 E88 T89 C93 A166	R82-E91 IonicContact CZ-OE1 3.22Å; R82-E91 IonicContact CZ-OE2 3.25Å; R82-E91 IonicContact NE-OE1 3.99Å; R82-E91 PolarHBondContact NE-OE1 2.91Å; R82-E91 IonicContact NE-OE2 2.65Å; R82-E91 IonicContact NH2-OE1 2.78Å; R82-E91 PolarHBondContact NH2-OE1 3.11Å; R82-E91 IonicContact NH2-OE2 3.47Å; E88-E91 HydrophobicContact CB-CB 3.97Å; E88-E91 VanDerWaalsContact O-CB 3.29Å; E88-E91 WeakPolarHBondContact O-CB 3.46Å; E88-E91 PolarHBondContact O-N 2.84Å; T89-E91 VanDerWaalsContact C-N 3.34Å; E91-C93 PolarHBondContact O-N 3.36Å; E91-A166 WeakPolarHBondContact O-CA 3.38Å; E91-A166 VanDerWaalsContact O-CB 3.27Å; E91-A166 WeakPolarHBondContact O-CB 3.41Å
92	Q	96.8	Very high	96	Very high	79 Å²	79	42.3 Å²	42.3	37%	0.369	22%	0.218	S	C	.	.			trans	-76.7	115.4	171	-73.6	-71.7	-23.5	0	0	109.5	F164 G165 E176	Q92-F164 HydrophobicContact CB-CZ 4.24Å; Q92-G165 WeakPolarHBondContact CA-O 3.44Å; Q92-G165 PolarHBondContact OE1-O 2.88Å; Q92-E176 PolarHBondContact NE2-OE1 3.06Å
93	C	97.6	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	164.2	-176.3	62.6	0	0	0	0	112.1	H80 R82 L87 E91 F164 G165	H80-C93 HydrophobicContact CB-CB 4.5Å; H80-C93 CarbonylContact O-C 3.58Å; H80-C93 WeakPolarHBondContact O-CA 3.18Å; H80-C93 WeakPolarHBondContact O-CB 3.48Å; R82-C93 HydrophobicContact CB-CB 4.37Å; R82-C93 HydrophobicContact CG-CB 3.85Å; L87-C93 WeakPolarHBondContact CD2-SG 3.19Å; E91-C93 PolarHBondContact O-N 3.36Å; C93-F164 WeakPolarHBondContact O-CA 3.1Å; C93-F164 WeakPolarHBondContact O-CD2 3.28Å; C93-G165 PolarHBondContact N-O 2.89Å; C93-G165 PolarHBondContact O-N 2.89Å; C93-G165 VanDerWaalsContact O-N 3.11Å
94	C	98	Very high	95.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.6	170.1	172.1	0	0	0	0	109.9	W75 V79 H80 I81 R82 I163 F164	W75-C94 HydrophobicContact CE3-CB 4.31Å; W75-C94 HydrophobicContact CZ3-CB 4.16Å; W75-C94 VanDerWaalsContact CZ3-SG 3.55Å; V79-C94 HydrophobicContact CG2-CB 3.68Å; H80-C94 PolarHBondContact O-N 3.11Å; I81-C94 CarbonylContact C-O 3.57Å; I81-C94 WeakPolarHBondContact CA-O 3.4Å; I81-C94 HydrophobicContact CG1-CB 4.19Å; R82-C94 PolarHBondContact N-O 2.81Å; C94-I163 CarbonylContact C-O 3.26Å; C94-I163 WeakPolarHBondContact CA-O 3.4Å; C94-F164 HydrophobicContact CB-CD2 4.36Å
95	I	97.9	Very high	95.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133	175.9	-45.2	-176.1	0	0	0	109.1	L84 L87 L137 A162 I163 F173	L84-I95 HydrophobicContact CD2-CD1 3.63Å; L84-I95 HydrophobicContact CD2-CG2 3.95Å; L84-I95 HydrophobicContact CG-CG2 4.13Å; L87-I95 HydrophobicContact CD1-CD1 3.87Å; L87-I95 HydrophobicContact CD2-CD1 3.65Å; L87-I95 HydrophobicContact CD2-CG1 4.44Å; L87-I95 HydrophobicContact CG-CD1 4.14Å; I95-L137 HydrophobicContact CB-CD2 4.02Å; I95-L137 HydrophobicContact CG2-CD2 3.68Å; I95-A162 CarbonylContact O-C 3.56Å; I95-A162 WeakPolarHBondContact O-CA 3.29Å; I95-I163 HydrophobicContact CB-CG1 4.04Å; I95-I163 PolarHBondContact N-O 2.72Å; I95-I163 PolarHBondContact O-N 3.41Å; I95-F173 HydrophobicContact CD1-CD2 3.82Å; I95-F173 HydrophobicContact CD1-CE2 3.52Å; I95-F173 HydrophobicContact CD1-CZ 4.13Å; I95-F173 HydrophobicContact CG1-CE2 4.15Å; I95-F173 HydrophobicContact CG1-CZ 4.33Å
96	V	98.4	Very high	95.2	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.2	170.8	-177.6	0	0	0	0	109.3	L60 R64 L67 V160 I161 A162	L60-V96 HydrophobicContact CD1-CG1 4.36Å; R64-V96 HydrophobicContact CB-CG1 4.26Å; R64-V96 HydrophobicContact CG-CB 4.36Å; R64-V96 HydrophobicContact CG-CG1 4.34Å; L67-V96 HydrophobicContact CB-CG1 3.87Å; L67-V96 HydrophobicContact CB-CG2 3.99Å; L67-V96 HydrophobicContact CD1-CG1 3.67Å; L67-V96 HydrophobicContact CG-CG1 4.44Å; V96-V160 HydrophobicContact CG1-CG1 4.16Å; V96-I161 WeakPolarHBondContact CA-O 3.4Å; V96-A162 HydrophobicContact CG2-CB 4.06Å
97	G	98.2	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	176.5	-177.4	0	0	0	0	0	112.9	L137 E138 V160 I161	G97-L137 VanDerWaalsContact C-CD1 3.49Å; G97-E138 CarbonylContact C-O 3.59Å; G97-E138 WeakPolarHBondContact CA-O 3.35Å; G97-V160 WeakPolarHBondContact O-CA 3.4Å; G97-V160 WeakPolarHBondContact O-CG1 3.33Å; G97-I161 PolarHBondContact N-O 2.89Å; G97-I161 PolarHBondContact O-N 3.25Å; G97-I161 VanDerWaalsContact O-N 3.08Å
98	T	98.5	Very high	94.5	Very high	12 Å²	12	40.4 Å²	40.4	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.3	178.2	-51.9	0	0	0	0	109.2	Y56 E138	Y56-T98 HydrophobicContact CD1-CG2 4.33Å; T98-E138 PolarHBondContact N-O 3.43Å; T98-E138 PolarHBondContact O-N 2.94Å
99	L	98.5	Very high	94.1	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	134.9	173.6	-67.6	-179.6	0	0	0	110.6	L135 I136 L137 L146 C155 T157 G158 S159 I161	L99-L135 HydrophobicContact CB-CD1 4.3Å; L99-L135 HydrophobicContact CD1-CD1 4.35Å; L99-L135 HydrophobicContact CD2-CD1 4.06Å; L99-L135 HydrophobicContact CD2-CD2 4.04Å; L99-L135 HydrophobicContact CD2-CG 3.98Å; L99-L135 HydrophobicContact CG-CD1 4.48Å; L99-I136 CarbonylContact C-O 3.53Å; L99-I136 WeakPolarHBondContact CA-O 3.5Å; L99-L137 HydrophobicContact CD2-CD1 3.88Å; L99-L146 HydrophobicContact CD2-CD1 3.76Å; L99-C155 HydrophobicContact CD1-CB 3.95Å; L99-T157 CarbonylContact O-C 3.38Å; L99-T157 WeakPolarHBondContact O-CA 3.15Å; L99-G158 PolarHBondContact O-N 3.41Å; L99-S159 PolarHBondContact N-O 3.11Å; L99-I161 HydrophobicContact CD1-CD1 3.87Å; L99-I161 HydrophobicContact CD1-CG1 4.21Å; L99-I161 HydrophobicContact CD1-CG2 4.43Å; L99-I161 HydrophobicContact CD2-CD1 3.91Å; L99-I161 HydrophobicContact CD2-CG1 4.19Å; L99-I161 HydrophobicContact CG-CD1 4.03Å; L99-I161 HydrophobicContact CG-CG1 4.02Å
100	F	97.9	Very high	93.6	Very high	55 Å²	55	43.2 Å²	43.2	24%	0.241	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.8	165.9	176.9	-103.8	0	0	0	108.4	R102 I136 E138 T157	F100-R102 HydrophobicContact CE1-CB 4Å; F100-R102 HydrophobicContact CE1-CG 4.42Å; F100-I136 HydrophobicContact CB-CB 4.43Å; F100-I136 HydrophobicContact CD1-CB 4.39Å; F100-I136 HydrophobicContact CD1-CD1 4.05Å; F100-I136 HydrophobicContact CE1-CD1 4.49Å; F100-I136 PolarHBondContact N-O 3.34Å; F100-I136 PolarHBondContact O-N 3.15Å; F100-E138 HydrophobicContact CB-CG 4.18Å; F100-T157 HydrophobicContact CD2-CG2 3.8Å; F100-T157 HydrophobicContact CE2-CG2 4.43Å
101	K	97.4	Very high	93	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.9	177.8	-170.1	177.6	174.9	171.5	0	108.8	M103 D133 E134 L135 R152 D153 C155 T157 Y357	K101-M103 HydrophobicContact CB-CG 4.47Å; K101-M103 HydrophobicContact CD-CG 4.08Å; K101-M103 HydrophobicContact CD-SD 3.85Å; K101-M103 HydrophobicContact CG-CG 3.78Å; K101-M103 HydrophobicContact CG-SD 4.13Å; K101-M103 PolarHBondContact O-N 3.22Å; K101-D133 WeakPolarHBondContact CE-OD2 3.42Å; K101-E134 WeakPolarHBondContact CA-O 3.46Å; K101-L135 HydrophobicContact CB-CD1 4.32Å; K101-R152 WeakPolarHBondContact CE-O 3.27Å; K101-R152 PolarHBondContact NZ-O 3.38Å; K101-D153 PolarHBondContact NZ-O 3.01Å; K101-C155 WeakPolarHBondContact CD-O 3.34Å; K101-C155 PolarHBondContact NZ-O 2.73Å; K101-T157 PolarHBondContact N-OG1 2.93Å; K101-Y357 PolarHBondContact NZ-O 3.41Å; K101-Y357 VanDerWaalsContact NZ-O 3.09Å
102	R	96.4	Very high	92.1	Very high	106 Å²	106	48.9 Å²	48.9	40%	0.4	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.1	176.1	-167.9	178.2	77.6	-149	2.4	108.9	F100 D133 E134 I136	F100-R102 HydrophobicContact CE1-CB 4Å; F100-R102 HydrophobicContact CE1-CG 4.42Å; R102-D133 WeakPolarHBondContact O-CA 3.46Å; R102-E134 HydrophobicContact CB-CB 4.46Å; R102-E134 VanDerWaalsContact CZ-CD 3.47Å; R102-E134 IonicContact CZ-OE1 3.54Å; R102-E134 IonicContact CZ-OE2 3.73Å; R102-E134 PolarHBondContact N-O 3.14Å; R102-E134 IonicContact NE-OE2 3.85Å; R102-E134 IonicContact NH1-OE2 2.74Å; R102-E134 PolarHBondContact NH1-OE2 2.93Å; R102-E134 IonicContact NH2-OE1 3.78Å; R102-E134 PolarHBondContact NH2-OE1 2.86Å; R102-E134 IonicContact NH2-OE2 2.68Å; R102-E134 PolarHBondContact NH2-OE2 2.85Å; R102-E134 PolarHBondContact O-N 2.78Å; R102-E134 VanDerWaalsContact O-N 3.11Å; R102-I136 HydrophobicContact CB-CD1 4.45Å
103	M	94.1	Very high	91.3	Very high	11 Å²	11	49.3 Å²	49.3	5%	0.054	25%	0.248	C	C	.	.			trans	-123	121.7	-176	-60.5	173.5	-72.4	0	0	110	K101 L105 Q106 D133 Y357	K101-M103 HydrophobicContact CB-CG 4.47Å; K101-M103 HydrophobicContact CD-CG 4.08Å; K101-M103 HydrophobicContact CD-SD 3.85Å; K101-M103 HydrophobicContact CG-CG 3.78Å; K101-M103 HydrophobicContact CG-SD 4.13Å; K101-M103 PolarHBondContact O-N 3.22Å; M103-L105 VanDerWaalsContact C-N 3.28Å; M103-L105 PolarHBondContact O-N 3.43Å; M103-Q106 HydrophobicContact CB-CB 4.08Å; M103-Q106 HydrophobicContact CE-CB 4.41Å; M103-Q106 HydrophobicContact CE-CG 4.47Å; M103-Q106 WeakPolarHBondContact O-CB 3.23Å; M103-Q106 PolarHBondContact O-N 2.98Å; M103-D133 HydrophobicContact CG-CB 4.43Å; M103-Y357 HydrophobicContact CE-CD1 3.45Å; M103-Y357 VanDerWaalsContact CE-CD1 3.45Å; M103-Y357 HydrophobicContact CE-CE1 4.13Å; M103-Y357 HydrophobicContact CE-CG 4.17Å; M103-Y357 HydrophobicContact SD-CD1 3.79Å; M103-Y357 HydrophobicContact SD-CG 4.48Å
104	D	89.2	Confident	90.1	Very high	94 Å²	94	53.8 Å²	53.8	50%	0.503	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-28.7	-175.2	-75.5	-18.1	0	0	0	113.1	K111	D104-K111 PolarHBondContact O-NZ 2.84Å
105	L	90.3	Very high	88.8	Confident	50 Å²	50	57.9 Å²	57.9	26%	0.262	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.8	178.6	-62.3	-176.4	0	0	0	113.8	M103 Y128 T130	M103-L105 VanDerWaalsContact C-N 3.28Å; M103-L105 PolarHBondContact O-N 3.43Å; L105-Y128 HydrophobicContact CB-CD1 4.42Å; L105-Y128 WeakPolarHBondContact O-CD1 2.92Å; L105-T130 HydrophobicContact CB-CG2 4.47Å; L105-T130 HydrophobicContact CD1-CG2 3.22Å; L105-T130 HydrophobicContact CG-CG2 3.51Å
106	Q	90.3	Very high	86.8	Confident	37 Å²	37	64.3 Å²	64.3	17%	0.173	33%	0.328	C	S	.	.	S	Bend	trans	-58.7	130.7	176.4	-175.9	177.3	10.6	0	0	109.3	M103 S108 Y357 D382 T383	M103-Q106 HydrophobicContact CB-CB 4.08Å; M103-Q106 HydrophobicContact CE-CB 4.41Å; M103-Q106 HydrophobicContact CE-CG 4.47Å; M103-Q106 WeakPolarHBondContact O-CB 3.23Å; M103-Q106 PolarHBondContact O-N 2.98Å; Q106-S108 PolarHBondContact O-N 3.23Å; Q106-Y357 HydrophobicContact CG-CE1 4.21Å; Q106-D382 PolarHBondContact NE2-OD2 3.25Å; Q106-T383 VanDerWaalsContact NE2-CG2 3.29Å
107	P	86.5	Confident	84.5	Confident	67 Å²	67	72.2 Å²	72.2	44%	0.435	36%	0.364	S	S	.	.			trans	-56.3	138.4	178.7	-25	34.4	0	0	0	111.3	Y128	P107-Y128 HydrophobicContact CG-CD1 4.41Å; P107-Y128 HydrophobicContact CG-CE1 3.68Å
108	S	85.4	Confident	82.4	Confident	40 Å²	40	79.9 Å²	79.9	28%	0.28	41%	0.406	S	S	.	.			trans	-133.8	115.9	-179.2	179.5	0	0	0	0	110	Q106 L110 K111 E112	Q106-S108 PolarHBondContact O-N 3.23Å; S108-L110 PolarHBondContact O-N 3.24Å; S108-K111 PolarHBondContact O-N 2.8Å; S108-E112 WeakPolarHBondContact O-CG 3.21Å; S108-E112 PolarHBondContact O-N 2.94Å
109	I	84.4	Confident	80.4	Confident	123 Å²	123	85.5 Å²	85.5	63%	0.631	44%	0.435	S	S	*	.	H	α-helix	trans	-56.4	-37.1	176.4	-60.9	171.1	0	0	0	110.6	E112 I113	I109-E112 PolarHBondContact O-N 2.97Å; I109-I113 HydrophobicContact CG2-CD1 3.63Å; I109-I113 HydrophobicContact CG2-CG1 4.27Å; I109-I113 WeakPolarHBondContact O-CB 3.48Å; I109-I113 VanDerWaalsContact O-CG1 3.26Å; I109-I113 WeakPolarHBondContact O-CG1 3.44Å; I109-I113 PolarHBondContact O-N 2.82Å
110	L	83.2	Confident	78.4	Confident	137 Å²	137	93 Å²	93	72%	0.717	47%	0.473	S	S	*	.	H	α-helix	trans	-67.5	-39.1	178.4	-66.6	177.8	0	0	0	112.3	S108 S114	S108-L110 PolarHBondContact O-N 3.24Å; L110-S114 WeakPolarHBondContact O-CB 3.41Å; L110-S114 PolarHBondContact O-N 3.5Å; L110-S114 PolarHBondContact O-OG 3.06Å; L110-S114 VanDerWaalsContact O-OG 3.11Å
111	K	79.6	Confident	76.6	Confident	97 Å²	97	96 Å²	96	42%	0.422	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-47.6	173.9	-68.8	-177.8	-177.5	174.4	0	110	D104 S108 I113 S114 E115	D104-K111 PolarHBondContact O-NZ 2.84Å; S108-K111 PolarHBondContact O-N 2.8Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 2.9Å; K111-S114 WeakPolarHBondContact CA-OG 3.35Å; K111-S114 PolarHBondContact O-N 3Å; K111-S114 PolarHBondContact O-OG 3.32Å; K111-E115 WeakPolarHBondContact O-CB 3.23Å; K111-E115 VanDerWaalsContact O-CG 3.29Å; K111-E115 WeakPolarHBondContact O-CG 3.4Å; K111-E115 PolarHBondContact O-N 3.18Å
112	E	76.5	Confident	74.9	Confident	112 Å²	112	101.4 Å²	101.4	52%	0.523	52%	0.524	S	S	.	.	H	α-helix	trans	-56.8	-43.2	177.9	-70.1	174.3	-165.5	0	0	112.8	S108 I109	S108-E112 WeakPolarHBondContact O-CG 3.21Å; S108-E112 PolarHBondContact O-N 2.94Å; I109-E112 PolarHBondContact O-N 2.97Å
113	I	78.9	Confident	73.4	Confident	88 Å²	88	101.5 Å²	101.5	45%	0.451	54%	0.539	S	S	.	.	H	α-helix	trans	-74.2	-40.9	177	-65.7	170.5	0	0	0	111.4	I109 K111 E115 E116	I109-I113 HydrophobicContact CG2-CD1 3.63Å; I109-I113 HydrophobicContact CG2-CG1 4.27Å; I109-I113 WeakPolarHBondContact O-CB 3.48Å; I109-I113 VanDerWaalsContact O-CG1 3.26Å; I109-I113 WeakPolarHBondContact O-CG1 3.44Å; I109-I113 PolarHBondContact O-N 2.82Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 2.9Å; I113-E115 PolarHBondContact O-N 2.84Å; I113-E116 WeakPolarHBondContact O-CB 3.46Å; I113-E116 WeakPolarHBondContact O-CG 3.42Å; I113-E116 PolarHBondContact O-N 2.94Å; I113-E116 VanDerWaalsContact O-N 3.11Å
114	S	73.6	Confident	72.3	Confident	94 Å²	94	105.5 Å²	105.5	66%	0.657	57%	0.573	S	S	*	*	H	α-helix	trans	-65.6	-27	-179	69.6	0	0	0	0	113.2	L110 K111 E116	L110-S114 WeakPolarHBondContact O-CB 3.41Å; L110-S114 PolarHBondContact O-N 3.5Å; L110-S114 PolarHBondContact O-OG 3.06Å; L110-S114 VanDerWaalsContact O-OG 3.11Å; K111-S114 WeakPolarHBondContact CA-OG 3.35Å; K111-S114 PolarHBondContact O-N 3Å; K111-S114 PolarHBondContact O-OG 3.32Å; S114-E116 PolarHBondContact O-N 3.3Å
115	E	68.8	Low	72.1	Confident	86 Å²	86	105.9 Å²	105.9	40%	0.402	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.6	15.6	177.2	-67.3	172.5	-178	0	0	112.3	K111 I113 H117 L119	K111-E115 WeakPolarHBondContact O-CB 3.23Å; K111-E115 VanDerWaalsContact O-CG 3.29Å; K111-E115 WeakPolarHBondContact O-CG 3.4Å; K111-E115 PolarHBondContact O-N 3.18Å; I113-E115 PolarHBondContact O-N 2.84Å; E115-H117 VanDerWaalsContact C-N 3.32Å; E115-H117 PolarHBondContact O-N 2.86Å; E115-L119 HydrophobicContact CB-CD1 4.23Å; E115-L119 HydrophobicContact CG-CD1 4.47Å; E115-L119 VanDerWaalsContact OE2-CD1 3.31Å; E115-L119 WeakPolarHBondContact OE2-CD1 3.38Å
116	E	56.3	Low	71.9	Confident	135 Å²	135	110.7 Å²	110.7	63%	0.631	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	89.2	172.9	-92.3	177.2	-173.3	0	0	111.1	I113 S114	I113-E116 WeakPolarHBondContact O-CB 3.46Å; I113-E116 WeakPolarHBondContact O-CG 3.42Å; I113-E116 PolarHBondContact O-N 2.94Å; I113-E116 VanDerWaalsContact O-N 3.11Å; S114-E116 PolarHBondContact O-N 3.3Å
117	H	51.5	Low	72.1	Confident	169 Å²	169	111.6 Å²	111.6	78%	0.782	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn		-175.4	-6.4	127.2	-93.9	-45.9	0	0	0	116.7	E115	E115-H117 VanDerWaalsContact C-N 3.32Å; E115-H117 PolarHBondContact O-N 2.86Å
118	N	52.5	Low	72.4	Confident	162 Å²	162	109.8 Å²	109.8	87%	0.866	58%	0.582	S	S	*	*	S	Bend	trans	-163.6	35.3	-178.1	-89.6	-43	0	0	0	115.7
119	L	56.8	Low	72.9	Confident	130 Å²	130	109.8 Å²	109.8	68%	0.681	58%	0.578	S	S	*	*			trans	-111	129.8	171.9	-72.8	173.1	0	0	0	112.2	E115	E115-L119 HydrophobicContact CB-CD1 4.23Å; E115-L119 HydrophobicContact CG-CD1 4.47Å; E115-L119 VanDerWaalsContact OE2-CD1 3.31Å; E115-L119 WeakPolarHBondContact OE2-CD1 3.38Å
120	L	57.4	Low	73.3	Confident	158 Å²	158	105.8 Å²	105.8	83%	0.827	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-56.1	143.9	164.1	-68.2	164.4	0	0	0	108.2	Q122	L120-Q122 PolarHBondContact O-N 2.82Å
121	P	59.2	Low	73.8	Confident	119 Å²	119	107.9 Å²	107.9	77%	0.773	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-48.7	130.7	172.6	-22.1	30	0	0	0	109.6
122	Q	62.2	Low	74.5	Confident	114 Å²	114	106.4 Å²	106.4	53%	0.533	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-58.4	132	177.1	-67.7	-165.1	25.2	0	0	108.7	L120 A124	L120-Q122 PolarHBondContact O-N 2.82Å; Q122-A124 PolarHBondContact O-N 2.8Å
123	P	64	Low	75.4	Confident	109 Å²	109	101.3 Å²	101.3	71%	0.708	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-60.9	137.7	-179.2	24.2	-32.1	0	0	0	109.5	R125	P123-R125 PolarHBondContact O-N 3.36Å
124	A	72.6	Confident	76.3	Confident	94 Å²	94	99.5 Å²	99.5	78%	0.777	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-55.7	130.2	174.4	0	0	0	0	0	109.4	Q122	Q122-A124 PolarHBondContact O-N 2.8Å
125	R	84.3	Confident	77.4	Confident	102 Å²	102	95.4 Å²	95.4	39%	0.385	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-97.6	149.5	-179.8	-59	-175	-178.1	-137	3.3	110.1	P123 K127 Y128	P123-R125 PolarHBondContact O-N 3.36Å; R125-K127 WeakPolarHBondContact CB-O 3.25Å; R125-Y128 HydrophobicContact CB-CD1 4.16Å; R125-Y128 HydrophobicContact CB-CE1 3.82Å; R125-Y128 HydrophobicContact CG-CD1 4.42Å; R125-Y128 HydrophobicContact CG-CE1 4.02Å
126	N	86.3	Confident	78.9	Confident	151 Å²	151	91.6 Å²	91.6	81%	0.807	49%	0.49	S	S	*	.	S	Bend	trans	-71	-36.3	172	-66.8	-19.7	0	0	0	111.5
127	K	93.5	Very high	80.9	Confident	56 Å²	56	85.2 Å²	85.2	24%	0.243	46%	0.46	C	S	.	.			trans	-138.2	151.2	173.5	-64.1	-160.7	176.9	-162.6	0	111.3	R125 I129 K356 S358 S359 M360 D361	R125-K127 WeakPolarHBondContact CB-O 3.25Å; K127-I129 HydrophobicContact CB-CG1 4.39Å; K127-I129 HydrophobicContact CD-CD1 4.26Å; K127-I129 HydrophobicContact CD-CG1 4.47Å; K127-K356 CarbonylContact C-O 3.43Å; K127-K356 VanDerWaalsContact CA-O 3.32Å; K127-K356 WeakPolarHBondContact CA-O 3.38Å; K127-S358 PolarHBondContact NZ-O 2.91Å; K127-S358 VanDerWaalsContact NZ-O 3.1Å; K127-S359 PolarHBondContact NZ-O 2.78Å; K127-M360 PolarHBondContact NZ-O 2.94Å; K127-D361 WeakPolarHBondContact CE-OD1 3.49Å; K127-D361 IonicContact NZ-OD1 2.92Å; K127-D361 PolarHBondContact NZ-OD1 3.46Å; K127-D361 IonicContact NZ-OD2 3.65Å
128	Y	94.1	Very high	83.1	Confident	30 Å²	30	80.3 Å²	80.3	12%	0.118	44%	0.438	C	S	.	.			trans	-113.5	3.8	179.1	-65.1	-75.6	0	0	0	113.3	L105 P107 R125 K356 Y357	L105-Y128 HydrophobicContact CB-CD1 4.42Å; L105-Y128 WeakPolarHBondContact O-CD1 2.92Å; P107-Y128 HydrophobicContact CG-CD1 4.41Å; P107-Y128 HydrophobicContact CG-CE1 3.68Å; R125-Y128 HydrophobicContact CB-CD1 4.16Å; R125-Y128 HydrophobicContact CB-CE1 3.82Å; R125-Y128 HydrophobicContact CG-CD1 4.42Å; R125-Y128 HydrophobicContact CG-CE1 4.02Å; Y128-K356 HydrophobicContact CD2-CB 3.99Å; Y128-K356 HydrophobicContact CE2-CB 4.28Å; Y128-K356 HydrophobicContact CE2-CD 4.41Å; Y128-K356 PolarHBondContact N-O 2.73Å; Y128-Y357 HydrophobicContact CD2-CD1 4.02Å; Y128-Y357 AromaticContact CD2-CE1 3.4Å; Y128-Y357 HydrophobicContact CD2-CE1 3.4Å; Y128-Y357 VanDerWaalsContact CD2-CE1 3.4Å; Y128-Y357 HydrophobicContact CD2-CE2 4.43Å; Y128-Y357 AromaticContact CD2-CZ 3.64Å; Y128-Y357 HydrophobicContact CE2-CE1 4.23Å; Y128-Y357 HydrophobicContact CG-CD1 4.28Å; Y128-Y357 AromaticContact CG-CE1 3.75Å; Y128-Y357 HydrophobicContact CG-CE1 3.75Å
129	I	94.5	Very high	85	Confident	39 Å²	39	73.4 Å²	73.4	20%	0.2	40%	0.401	C	S	.	.			trans	-76.9	148.2	179.1	65.7	175.2	0	0	0	112.1	K127 D133 Y357	K127-I129 HydrophobicContact CB-CG1 4.39Å; K127-I129 HydrophobicContact CD-CD1 4.26Å; K127-I129 HydrophobicContact CD-CG1 4.47Å; I129-D133 VanDerWaalsContact CA-OD2 3.28Å; I129-D133 WeakPolarHBondContact CA-OD2 3.4Å; I129-Y357 VanDerWaalsContact CG2-O 3.24Å; I129-Y357 WeakPolarHBondContact CG2-O 3.46Å
130	T	94.3	Very high	86.6	Confident	39 Å²	39	71.3 Å²	71.3	24%	0.239	39%	0.388	C	S	.	.			trans	-142.2	162.7	172.1	72.7	0	0	0	0	112.4	L105 A132 D133	L105-T130 HydrophobicContact CB-CG2 4.47Å; L105-T130 HydrophobicContact CD1-CG2 3.22Å; L105-T130 HydrophobicContact CG-CG2 3.51Å; T130-A132 PolarHBondContact O-N 2.97Å; T130-A132 PolarHBondContact OG1-N 2.84Å; T130-D133 VanDerWaalsContact N-CG 3.28Å; T130-D133 PolarHBondContact N-OD1 3.17Å; T130-D133 PolarHBondContact N-OD2 2.8Å; T130-D133 WeakPolarHBondContact O-CB 3.49Å; T130-D133 PolarHBondContact O-N 3.42Å; T130-D133 VanDerWaalsContact O-N 3.17Å; T130-D133 PolarHBondContact OG1-N 3.17Å; T130-D133 PolarHBondContact OG1-OD1 3.45Å
131	E	93	Very high	88.1	Confident	182 Å²	182	69.9 Å²	69.9	85%	0.85	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.9	172.4	-64.9	-175.1	174.8	0	0	113.5	R152	E131-R152 PolarHBondContact O-NH1 2.94Å
132	A	94.4	Very high	89.8	Confident	65 Å²	65	69.1 Å²	69.1	54%	0.537	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-5.6	178.7	0	0	0	0	0	113.6	T130	T130-A132 PolarHBondContact O-N 2.97Å; T130-A132 PolarHBondContact OG1-N 2.84Å
133	D	95.9	Very high	91.4	Very high	6 Å²	6	72.2 Å²	72.2	3%	0.032	37%	0.373	C	S	.	.			trans	-60.6	146	-179.1	-64	-6.5	0	0	0	110.6	K101 R102 M103 I129 T130 R152	K101-D133 WeakPolarHBondContact CE-OD2 3.42Å; R102-D133 WeakPolarHBondContact O-CA 3.46Å; M103-D133 HydrophobicContact CG-CB 4.43Å; I129-D133 VanDerWaalsContact CA-OD2 3.28Å; I129-D133 WeakPolarHBondContact CA-OD2 3.4Å; T130-D133 VanDerWaalsContact N-CG 3.28Å; T130-D133 PolarHBondContact N-OD1 3.17Å; T130-D133 PolarHBondContact N-OD2 2.8Å; T130-D133 WeakPolarHBondContact O-CB 3.49Å; T130-D133 PolarHBondContact O-N 3.42Å; T130-D133 VanDerWaalsContact O-N 3.17Å; T130-D133 PolarHBondContact OG1-N 3.17Å; T130-D133 PolarHBondContact OG1-OD1 3.45Å; D133-R152 WeakPolarHBondContact O-CD 3.4Å; D133-R152 PolarHBondContact O-NH1 3.33Å
134	E	96.9	Very high	93	Very high	50 Å²	50	67.7 Å²	67.7	23%	0.234	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.2	176.7	-68.5	-174.5	177.5	0	0	110.9	K101 R102 K145	K101-E134 WeakPolarHBondContact CA-O 3.46Å; R102-E134 HydrophobicContact CB-CB 4.46Å; R102-E134 VanDerWaalsContact CZ-CD 3.47Å; R102-E134 IonicContact CZ-OE1 3.54Å; R102-E134 IonicContact CZ-OE2 3.73Å; R102-E134 PolarHBondContact N-O 3.14Å; R102-E134 IonicContact NE-OE2 3.85Å; R102-E134 IonicContact NH1-OE2 2.74Å; R102-E134 PolarHBondContact NH1-OE2 2.93Å; R102-E134 IonicContact NH2-OE1 3.78Å; R102-E134 PolarHBondContact NH2-OE1 2.86Å; R102-E134 IonicContact NH2-OE2 2.68Å; R102-E134 PolarHBondContact NH2-OE2 2.85Å; R102-E134 PolarHBondContact O-N 2.78Å; R102-E134 VanDerWaalsContact O-N 3.11Å; E134-K145 IonicContact OE1-NZ 2.74Å; E134-K145 PolarHBondContact OE1-NZ 2.92Å; E134-K145 WeakPolarHBondContact OE2-CE 3.34Å; E134-K145 IonicContact OE2-NZ 3.46Å; E134-K145 PolarHBondContact OE2-NZ 2.96Å
135	L	97.9	Very high	94.2	Very high	7 Å²	7	67 Å²	67	4%	0.037	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.4	172.8	-163.7	64.6	0	0	0	110.1	L99 K101 L146 I150 R152 C155	L99-L135 HydrophobicContact CB-CD1 4.3Å; L99-L135 HydrophobicContact CD1-CD1 4.35Å; L99-L135 HydrophobicContact CD2-CD1 4.06Å; L99-L135 HydrophobicContact CD2-CD2 4.04Å; L99-L135 HydrophobicContact CD2-CG 3.98Å; L99-L135 HydrophobicContact CG-CD1 4.48Å; K101-L135 HydrophobicContact CB-CD1 4.32Å; L135-L146 HydrophobicContact CB-CB 4.37Å; L135-L146 HydrophobicContact CD2-CD1 3.92Å; L135-L146 HydrophobicContact CG-CD1 4.07Å; L135-L146 PolarHBondContact O-N 3.2Å; L135-I150 HydrophobicContact CD2-CD1 3.63Å; L135-I150 HydrophobicContact CD2-CG1 3.93Å; L135-I150 HydrophobicContact CD2-CG2 4.2Å; L135-R152 HydrophobicContact CB-CG 4.3Å; L135-C155 HydrophobicContact CD1-CB 3.88Å; L135-C155 HydrophobicContact CD2-CB 4.14Å
136	I	98.3	Very high	94.8	Very high	7 Å²	7	63 Å²	63	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.3	-177.9	-61.9	167.7	0	0	0	107.4	L99 F100 R102 E138 R143 I144 K145	L99-I136 CarbonylContact C-O 3.53Å; L99-I136 WeakPolarHBondContact CA-O 3.5Å; F100-I136 HydrophobicContact CB-CB 4.43Å; F100-I136 HydrophobicContact CD1-CB 4.39Å; F100-I136 HydrophobicContact CD1-CD1 4.05Å; F100-I136 HydrophobicContact CE1-CD1 4.49Å; F100-I136 PolarHBondContact N-O 3.34Å; F100-I136 PolarHBondContact O-N 3.15Å; R102-I136 HydrophobicContact CB-CD1 4.45Å; I136-E138 HydrophobicContact CG2-CG 4.14Å; I136-R143 HydrophobicContact CG2-CB 3.76Å; I136-R143 HydrophobicContact CG2-CG 4.36Å; I136-I144 CarbonylContact C-O 3.43Å; I136-I144 WeakPolarHBondContact CA-O 3.27Å; I136-K145 HydrophobicContact CG1-CG 4.27Å
137	L	98.3	Very high	95.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.1	167.9	-167.7	77.5	0	0	0	108.9	I95 G97 L99 R143 I144 L146 I161 I163	I95-L137 HydrophobicContact CB-CD2 4.02Å; I95-L137 HydrophobicContact CG2-CD2 3.68Å; G97-L137 VanDerWaalsContact C-CD1 3.49Å; L99-L137 HydrophobicContact CD2-CD1 3.88Å; L137-R143 CarbonylContact O-C 3.41Å; L137-R143 VanDerWaalsContact O-CA 3.24Å; L137-R143 WeakPolarHBondContact O-CA 3.47Å; L137-I144 HydrophobicContact CB-CG2 4.17Å; L137-I144 PolarHBondContact N-O 3Å; L137-I144 PolarHBondContact O-N 3Å; L137-L146 HydrophobicContact CB-CD1 4.13Å; L137-L146 HydrophobicContact CB-CD2 3.91Å; L137-L146 HydrophobicContact CB-CG 4.19Å; L137-I161 HydrophobicContact CD1-CG1 4.42Å; L137-I163 HydrophobicContact CD2-CD1 3.62Å; L137-I163 HydrophobicContact CD2-CG1 3.97Å
138	E	97.7	Very high	95.4	Very high	67 Å²	67	58.3 Å²	58.3	31%	0.313	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.6	176.3	-55.7	-166.2	153.5	0	0	110.4	G97 T98 F100 I136 R143	G97-E138 CarbonylContact C-O 3.59Å; G97-E138 WeakPolarHBondContact CA-O 3.35Å; T98-E138 PolarHBondContact N-O 3.43Å; T98-E138 PolarHBondContact O-N 2.94Å; F100-E138 HydrophobicContact CB-CG 4.18Å; I136-E138 HydrophobicContact CG2-CG 4.14Å; E138-R143 HydrophobicContact CG-CB 3.92Å
139	D	92.8	Very high	95.6	Very high	17 Å²	17	64.4 Å²	64.4	9%	0.091	32%	0.324	C	S	.	.			trans	-109.4	-161.5	164.1	80.1	-3.3	0	0	0	110	L84 L141 Q142	L84-D139 VanDerWaalsContact CB-OD2 3.25Å; L84-D139 WeakPolarHBondContact CB-OD2 3.14Å; L84-D139 HydrophobicContact CD1-CB 3.81Å; L84-D139 HydrophobicContact CG-CB 4.1Å; L84-D139 PolarHBondContact N-OD2 3.04Å; D139-L141 VanDerWaalsContact C-N 3.25Å; D139-L141 PolarHBondContact O-N 2.8Å; D139-L141 PolarHBondContact OD1-N 2.85Å; D139-Q142 PolarHBondContact N-O 3.19Å; D139-Q142 PolarHBondContact OD1-N 3.23Å
140	E	90	Very high	95.6	Very high	86 Å²	86	63.5 Å²	63.5	40%	0.402	32%	0.319	S	S	.	.	S	Bend	trans	-68.9	-21.2	-179.2	-56.1	97.6	141.3	0	0	114.4	L60 R64	L60-E140 HydrophobicContact CD2-CG 4.15Å; R64-E140 IonicContact CZ-OE1 3.64Å; R64-E140 VanDerWaalsContact CZ-OE1 3.25Å; R64-E140 IonicContact CZ-OE2 3.63Å; R64-E140 IonicContact NH1-OE1 2.72Å; R64-E140 PolarHBondContact NH1-OE1 2.93Å; R64-E140 IonicContact NH1-OE2 2.83Å; R64-E140 PolarHBondContact NH1-OE2 2.98Å; R64-E140 VanDerWaalsContact NH2-CD 3.29Å; R64-E140 IonicContact NH2-OE1 2.71Å; R64-E140 PolarHBondContact NH2-OE1 2.8Å; R64-E140 IonicContact NH2-OE2 3.23Å; R64-E140 PolarHBondContact NH2-OE2 2.9Å
141	L	90.4	Very high	95.7	Very high	128 Å²	128	65.2 Å²	65.2	67%	0.67	33%	0.327	S	S	*	.	S	Bend	trans	-123.8	-32	-167.2	-62.1	179.3	0	0	0	113.3	C85 D139	C85-L141 HydrophobicContact CB-CD1 4.48Å; D139-L141 VanDerWaalsContact C-N 3.25Å; D139-L141 PolarHBondContact O-N 2.8Å; D139-L141 PolarHBondContact OD1-N 2.85Å
142	Q	93.8	Very high	95.9	Very high	102 Å²	102	59.5 Å²	59.5	48%	0.477	30%	0.297	S	S	.	.			trans	-141.8	171.1	-168.2	-65.7	-174.2	-5.6	0	0	112	L84 D139	L84-Q142 HydrophobicContact CB-CB 3.96Å; L84-Q142 HydrophobicContact CD1-CB 4.34Å; L84-Q142 VanDerWaalsContact CD1-O 3.29Å; L84-Q142 WeakPolarHBondContact CD1-O 3.5Å; L84-Q142 PolarHBondContact O-OE1 3.06Å; D139-Q142 PolarHBondContact N-O 3.19Å; D139-Q142 PolarHBondContact OD1-N 3.23Å
143	R	96.7	Very high	95.9	Very high	179 Å²	179	58.5 Å²	58.5	68%	0.675	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	143	176.6	67.5	-176.6	-176.5	-178.8	-0.8	110.3	I136 L137 E138	I136-R143 HydrophobicContact CG2-CB 3.76Å; I136-R143 HydrophobicContact CG2-CG 4.36Å; L137-R143 CarbonylContact O-C 3.41Å; L137-R143 VanDerWaalsContact O-CA 3.24Å; L137-R143 WeakPolarHBondContact O-CA 3.47Å; E138-R143 HydrophobicContact CG-CB 3.92Å
144	I	97.3	Very high	96	Very high	14 Å²	14	62.7 Å²	62.7	7%	0.072	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.8	178	-166.1	160	0	0	0	110.5	L84 L87 I136 L137 L146 E167 F173	L84-I144 HydrophobicContact CD1-CG2 4.42Å; L84-I144 HydrophobicContact CD2-CB 4.13Å; L84-I144 HydrophobicContact CD2-CG2 3.42Å; L84-I144 VanDerWaalsContact CD2-CG2 3.42Å; L87-I144 HydrophobicContact CD1-CD1 3.95Å; I136-I144 CarbonylContact C-O 3.43Å; I136-I144 WeakPolarHBondContact CA-O 3.27Å; L137-I144 HydrophobicContact CB-CG2 4.17Å; L137-I144 PolarHBondContact N-O 3Å; L137-I144 PolarHBondContact O-N 3Å; I144-L146 HydrophobicContact CG2-CD2 4.25Å; I144-E167 HydrophobicContact CD1-CG 4.16Å; I144-F173 HydrophobicContact CD1-CB 3.86Å; I144-F173 HydrophobicContact CG1-CB 4.05Å; I144-F173 HydrophobicContact CG2-CB 4.15Å
145	K	97.6	Very high	96	Very high	79 Å²	79	61.1 Å²	61.1	34%	0.343	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	141.4	174.7	-67.1	-170	-176.6	-167.7	0	110	E134 I136 K172 F173	E134-K145 IonicContact OE1-NZ 2.74Å; E134-K145 PolarHBondContact OE1-NZ 2.92Å; E134-K145 WeakPolarHBondContact OE2-CE 3.34Å; E134-K145 IonicContact OE2-NZ 3.46Å; E134-K145 PolarHBondContact OE2-NZ 2.96Å; I136-K145 HydrophobicContact CG1-CG 4.27Å; K145-K172 HydrophobicContact CB-CD 4.17Å; K145-K172 HydrophobicContact CB-CG 4.19Å; K145-F173 PolarHBondContact O-N 2.87Å
146	L	97.9	Very high	96	Very high	18 Å²	18	61 Å²	61	9%	0.094	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.1	178.3	-55.2	-172.4	0	0	0	111.2	L99 L135 L137 I144 I150 I163 F173 V175	L99-L146 HydrophobicContact CD2-CD1 3.76Å; L135-L146 HydrophobicContact CB-CB 4.37Å; L135-L146 HydrophobicContact CD2-CD1 3.92Å; L135-L146 HydrophobicContact CG-CD1 4.07Å; L135-L146 PolarHBondContact O-N 3.2Å; L137-L146 HydrophobicContact CB-CD1 4.13Å; L137-L146 HydrophobicContact CB-CD2 3.91Å; L137-L146 HydrophobicContact CB-CG 4.19Å; I144-L146 HydrophobicContact CG2-CD2 4.25Å; L146-I150 HydrophobicContact CD1-CD1 4.2Å; L146-I163 HydrophobicContact CD1-CD1 4.39Å; L146-I163 HydrophobicContact CD2-CD1 3.55Å; L146-F173 HydrophobicContact CD2-CB 3.89Å; L146-F173 HydrophobicContact CD2-CD1 4.42Å; L146-F173 HydrophobicContact CD2-CG 4.49Å; L146-V175 HydrophobicContact CB-CG2 4.29Å; L146-V175 HydrophobicContact CD1-CG2 4.44Å; L146-V175 HydrophobicContact CD2-CG2 4.27Å
147	E	96.3	Very high	95.9	Very high	56 Å²	56	61 Å²	61	26%	0.262	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	172.1	166.4	63.2	173.3	-142.2	0	0	110.3	K168 K172 F173 T174 V175	E147-K168 IonicContact OE1-NZ 3.93Å; E147-K168 PolarHBondContact OE1-NZ 3.08Å; E147-K172 HydrophobicContact CG-CB 4.32Å; E147-K172 IonicContact OE2-NZ 3.74Å; E147-K172 PolarHBondContact OE2-NZ 2.72Å; E147-F173 PolarHBondContact N-O 2.72Å; E147-T174 PolarHBondContact OE1-OG1 3.28Å; E147-T174 VanDerWaalsContact OE1-OG1 3.14Å; E147-V175 WeakPolarHBondContact O-CB 3.43Å; E147-V175 PolarHBondContact O-N 3.33Å
148	G	95.9	Very high	95.9	Very high	53 Å²	53	61 Å²	61	55%	0.546	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	98.4	-141.8	175.6	0	0	0	0	0	113.9	I150	G148-I150 PolarHBondContact O-N 2.94Å
149	K	96.8	Very high	95.9	Very high	158 Å²	158	58 Å²	58	69%	0.687	28%	0.282	S	S	*	.	S	Bend	trans	-82.2	62.5	-171	-68.1	179.7	-179.7	172.8	0	112.3	V175 E176	K149-V175 PolarHBondContact N-O 3.46Å; K149-E176 VanDerWaalsContact CD-O 3.24Å; K149-E176 WeakPolarHBondContact CD-O 3.3Å
150	I	96.4	Very high	96.2	Very high	21 Å²	21	57.6 Å²	57.6	11%	0.108	28%	0.28	C	S	.	.	S	Bend	trans	-143	127.2	172.7	-172.5	162.8	0	0	0	109.5	L135 L146 G148 R152 I161 V175 F178	L135-I150 HydrophobicContact CD2-CD1 3.63Å; L135-I150 HydrophobicContact CD2-CG1 3.93Å; L135-I150 HydrophobicContact CD2-CG2 4.2Å; L146-I150 HydrophobicContact CD1-CD1 4.2Å; G148-I150 PolarHBondContact O-N 2.94Å; I150-R152 PolarHBondContact O-N 3.47Å; I150-R152 VanDerWaalsContact O-N 3.11Å; I150-I161 HydrophobicContact CD1-CD1 3.84Å; I150-V175 HydrophobicContact CB-CB 4.45Å; I150-V175 HydrophobicContact CB-CG1 4.31Å; I150-V175 HydrophobicContact CG2-CB 4.27Å; I150-V175 HydrophobicContact CG2-CG2 4.11Å; I150-F178 HydrophobicContact CB-CD1 4.49Å; I150-F178 HydrophobicContact CG1-CD1 4.3Å; I150-F178 HydrophobicContact CG1-CE1 4.32Å
151	D	96.1	Very high	96.6	Very high	75 Å²	75	53.7 Å²	53.7	40%	0.401	26%	0.262	S	S	.	.			trans	-79.9	96.4	179.7	-173.5	-17.4	0	0	0	109.8	D153 K154 C155	D151-D153 PolarHBondContact O-N 3.01Å; D151-D153 PolarHBondContact OD1-N 2.78Å; D151-K154 HydrophobicContact CB-CB 4.19Å; D151-K154 HydrophobicContact CB-CD 4.45Å; D151-K154 HydrophobicContact CB-CG 4.39Å; D151-K154 PolarHBondContact O-N 3.01Å; D151-K154 PolarHBondContact OD1-N 3.05Å; D151-K154 WeakPolarHBondContact OD2-CD 3.47Å; D151-K154 VanDerWaalsContact OD2-CG 3.31Å; D151-K154 WeakPolarHBondContact OD2-CG 3.45Å; D151-C155 PolarHBondContact O-N 2.87Å; D151-C155 VanDerWaalsContact O-N 3.14Å; D151-C155 PolarHBondContact O-SG 3.46Å
152	R	95.8	Very high	97	Very high	61 Å²	61	47.6 Å²	47.6	23%	0.23	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-38.9	176.5	177.7	-159	64.2	-155.6	-9.6	112.2	K101 E131 D133 L135 I150 K154 C155	K101-R152 WeakPolarHBondContact CE-O 3.27Å; K101-R152 PolarHBondContact NZ-O 3.38Å; E131-R152 PolarHBondContact O-NH1 2.94Å; D133-R152 WeakPolarHBondContact O-CD 3.4Å; D133-R152 PolarHBondContact O-NH1 3.33Å; L135-R152 HydrophobicContact CB-CG 4.3Å; I150-R152 PolarHBondContact O-N 3.47Å; I150-R152 VanDerWaalsContact O-N 3.11Å; R152-K154 VanDerWaalsContact C-N 3.33Å; R152-C155 PolarHBondContact O-N 2.88Å
153	D	96	Very high	97.2	Very high	45 Å²	45	42.7 Å²	42.7	24%	0.241	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-29.1	-171.2	-64.8	-19.8	0	0	0	110.9	K101 D151 S358 S359	K101-D153 PolarHBondContact NZ-O 3.01Å; D151-D153 PolarHBondContact O-N 3.01Å; D151-D153 PolarHBondContact OD1-N 2.78Å; D153-S358 CarbonylContact O-C 3.59Å; D153-S358 WeakPolarHBondContact O-CA 3.15Å; D153-S358 WeakPolarHBondContact O-CB 3.48Å; D153-S359 VanDerWaalsContact C-OG 3.24Å; D153-S359 PolarHBondContact O-N 2.83Å; D153-S359 PolarHBondContact O-OG 3.42Å
154	K	96.5	Very high	97.3	Very high	93 Å²	93	36.2 Å²	36.2	40%	0.404	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-29.5	169.9	-72.3	-173.2	178.7	-136.4	0	113.9	D151 R152 S359 M360 E365	D151-K154 HydrophobicContact CB-CB 4.19Å; D151-K154 HydrophobicContact CB-CD 4.45Å; D151-K154 HydrophobicContact CB-CG 4.39Å; D151-K154 PolarHBondContact O-N 3.01Å; D151-K154 PolarHBondContact OD1-N 3.05Å; D151-K154 WeakPolarHBondContact OD2-CD 3.47Å; D151-K154 VanDerWaalsContact OD2-CG 3.31Å; D151-K154 WeakPolarHBondContact OD2-CG 3.45Å; R152-K154 VanDerWaalsContact C-N 3.33Å; K154-S359 WeakPolarHBondContact CG-OG 3.42Å; K154-S359 PolarHBondContact N-OG 2.98Å; K154-M360 HydrophobicContact CG-CG 4.38Å; K154-M360 WeakPolarHBondContact O-CE 3.45Å; K154-E365 IonicContact NZ-OE1 3.29Å; K154-E365 PolarHBondContact NZ-OE1 3.25Å
155	C	97.1	Very high	97.3	Very high	17 Å²	17	35.6 Å²	35.6	12%	0.115	18%	0.181	C	C	.	.			trans	-68.1	147.4	-179.9	-68.4	0	0	0	0	112.5	L99 K101 L135 D151 R152	L99-C155 HydrophobicContact CD1-CB 3.95Å; K101-C155 WeakPolarHBondContact CD-O 3.34Å; K101-C155 PolarHBondContact NZ-O 2.73Å; L135-C155 HydrophobicContact CD1-CB 3.88Å; L135-C155 HydrophobicContact CD2-CB 4.14Å; D151-C155 PolarHBondContact O-N 2.87Å; D151-C155 VanDerWaalsContact O-N 3.14Å; D151-C155 PolarHBondContact O-SG 3.46Å; R152-C155 PolarHBondContact O-N 2.88Å
156	V	97.5	Very high	97.3	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.024	17%	0.169	C	C	.	.			trans	-128.7	152.2	174.5	-65.2	0	0	0	0	111.5	S159 I354 P378 T379	V156-S159 WeakPolarHBondContact CG2-OG 3.5Å; V156-S159 PolarHBondContact O-OG 2.82Å; V156-I354 HydrophobicContact CG1-CG2 4.01Å; V156-P378 HydrophobicContact CG2-CB 4.42Å; V156-P378 HydrophobicContact CG2-CG 4.03Å; V156-T379 HydrophobicContact CB-CG2 3.86Å; V156-T379 HydrophobicContact CG1-CG2 4.42Å; V156-T379 HydrophobicContact CG2-CG2 4Å
157	T	97.8	Very high	97.2	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.043	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	140.6	175.9	-63.7	0	0	0	0	111.2	L99 F100 K101 S159 P378 T379 D382	L99-T157 CarbonylContact O-C 3.38Å; L99-T157 WeakPolarHBondContact O-CA 3.15Å; F100-T157 HydrophobicContact CD2-CG2 3.8Å; F100-T157 HydrophobicContact CE2-CG2 4.43Å; K101-T157 PolarHBondContact N-OG1 2.93Å; T157-S159 VanDerWaalsContact C-N 3.35Å; T157-P378 CarbonylContact O-C 3.6Å; T157-T379 WeakPolarHBondContact O-CA 3.45Å; T157-D382 HydrophobicContact CG2-CB 4.11Å
158	G	97.7	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-4.5	175.9	0	0	0	0	0	115.2	R59 L99 P378	R59-G158 PolarHBondContact NH1-O 3.42Å; L99-G158 PolarHBondContact O-N 3.41Å; G158-P378 WeakPolarHBondContact CA-O 3.27Å
159	S	98.3	Very high	96.4	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.042	20%	0.197	C	C	.	.			trans	-67.8	129.6	170.2	-67	0	0	0	0	111	L99 V156 T157 L373	L99-S159 PolarHBondContact N-O 3.11Å; V156-S159 WeakPolarHBondContact CG2-OG 3.5Å; V156-S159 PolarHBondContact O-OG 2.82Å; T157-S159 VanDerWaalsContact C-N 3.35Å; S159-L373 WeakPolarHBondContact OG-CD1 3.34Å
160	V	98.4	Very high	96.1	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.7	174.2	-167.3	0	0	0	0	108.9	R59 L60 M63 L67 V96 G97	R59-V160 HydrophobicContact CG-CG2 3.78Å; L60-V160 HydrophobicContact CD1-CG1 3.8Å; M63-V160 HydrophobicContact CB-CB 4.08Å; M63-V160 HydrophobicContact CB-CG1 3.89Å; M63-V160 HydrophobicContact CB-CG2 4.39Å; M63-V160 HydrophobicContact CG-CB 4.36Å; M63-V160 HydrophobicContact CG-CG2 4.38Å; L67-V160 HydrophobicContact CD1-CB 4.08Å; L67-V160 HydrophobicContact CD1-CG1 3.52Å; V96-V160 HydrophobicContact CG1-CG1 4.16Å; G97-V160 WeakPolarHBondContact O-CA 3.4Å; G97-V160 WeakPolarHBondContact O-CG1 3.33Å
161	I	98.6	Very high	95.8	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	164.8	-177.5	65.6	162.7	0	0	0	111.1	V96 G97 L99 L137 I150 I163 F178 T180 L373	V96-I161 WeakPolarHBondContact CA-O 3.4Å; G97-I161 PolarHBondContact N-O 2.89Å; G97-I161 PolarHBondContact O-N 3.25Å; G97-I161 VanDerWaalsContact O-N 3.08Å; L99-I161 HydrophobicContact CD1-CD1 3.87Å; L99-I161 HydrophobicContact CD1-CG1 4.21Å; L99-I161 HydrophobicContact CD1-CG2 4.43Å; L99-I161 HydrophobicContact CD2-CD1 3.91Å; L99-I161 HydrophobicContact CD2-CG1 4.19Å; L99-I161 HydrophobicContact CG-CD1 4.03Å; L99-I161 HydrophobicContact CG-CG1 4.02Å; L137-I161 HydrophobicContact CD1-CG1 4.42Å; I150-I161 HydrophobicContact CD1-CD1 3.84Å; I161-I163 HydrophobicContact CD1-CG2 3.46Å; I161-I163 VanDerWaalsContact CD1-CG2 3.46Å; I161-I163 HydrophobicContact CG1-CG2 4.07Å; I161-F178 HydrophobicContact CD1-CB 4.41Å; I161-F178 HydrophobicContact CD1-CD2 4.22Å; I161-T180 HydrophobicContact CG2-CG2 4.35Å; I161-L373 HydrophobicContact CG2-CD2 4.21Å
162	A	98.5	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.9	164.6	0	0	0	0	0	109.1	L67 A71 W75 I95 V96 F178 C179	L67-A162 HydrophobicContact CB-CB 4.34Å; L67-A162 HydrophobicContact CD2-CB 4.32Å; A71-A162 HydrophobicContact CB-CB 4.34Å; W75-A162 HydrophobicContact CH2-CB 4.28Å; W75-A162 HydrophobicContact CZ3-CB 4.15Å; I95-A162 CarbonylContact O-C 3.56Å; I95-A162 WeakPolarHBondContact O-CA 3.29Å; V96-A162 HydrophobicContact CG2-CB 4.06Å; A162-F178 CarbonylContact O-C 3.54Å; A162-F178 VanDerWaalsContact O-CA 3.23Å; A162-F178 WeakPolarHBondContact O-CA 3.18Å; A162-F178 WeakPolarHBondContact O-CB 3.4Å; A162-C179 PolarHBondContact N-O 3.45Å; A162-C179 PolarHBondContact O-N 3.31Å
163	I	98.4	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	150.2	172.8	62.4	172	0	0	0	110	C94 I95 L137 L146 I161 F173 V175 F178	C94-I163 CarbonylContact C-O 3.26Å; C94-I163 WeakPolarHBondContact CA-O 3.4Å; I95-I163 HydrophobicContact CB-CG1 4.04Å; I95-I163 PolarHBondContact N-O 2.72Å; I95-I163 PolarHBondContact O-N 3.41Å; L137-I163 HydrophobicContact CD2-CD1 3.62Å; L137-I163 HydrophobicContact CD2-CG1 3.97Å; L146-I163 HydrophobicContact CD1-CD1 4.39Å; L146-I163 HydrophobicContact CD2-CD1 3.55Å; I161-I163 HydrophobicContact CD1-CG2 3.46Å; I161-I163 VanDerWaalsContact CD1-CG2 3.46Å; I161-I163 HydrophobicContact CG1-CG2 4.07Å; I163-F173 HydrophobicContact CB-CE1 4.49Å; I163-F173 HydrophobicContact CD1-CD1 3.48Å; I163-F173 VanDerWaalsContact CD1-CD1 3.48Å; I163-F173 HydrophobicContact CD1-CE1 3.6Å; I163-F173 HydrophobicContact CD1-CG 4.08Å; I163-F173 HydrophobicContact CD1-CZ 4.31Å; I163-F173 HydrophobicContact CG1-CD1 4.35Å; I163-F173 HydrophobicContact CG1-CE1 3.97Å; I163-F173 HydrophobicContact CG1-CZ 4.47Å; I163-V175 HydrophobicContact CB-CG1 4.39Å; I163-V175 HydrophobicContact CB-CG2 4.35Å; I163-V175 HydrophobicContact CD1-CG2 4.23Å; I163-V175 HydrophobicContact CG2-CG1 4.48Å; I163-V175 HydrophobicContact CG2-CG2 4.36Å; I163-F178 HydrophobicContact CG2-CB 4.02Å
164	F	98.4	Very high	95.9	Very high	43 Å²	43	33.6 Å²	33.6	19%	0.189	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.4	174.9	-178.7	-96.9	0	0	0	110.2	W75 V79 Q92 C93 C94 E176 D177	W75-F164 HydrophobicContact CD2-CB 3.85Å; W75-F164 HydrophobicContact CD2-CD2 4.27Å; W75-F164 HydrophobicContact CD2-CG 4.1Å; W75-F164 HydrophobicContact CE3-CB 3.98Å; W75-F164 HydrophobicContact CE3-CD2 4.32Å; W75-F164 HydrophobicContact CE3-CG 4.41Å; W75-F164 HydrophobicContact CG-CG 4.46Å; W75-F164 HydrophobicContact CH2-CB 3.6Å; W75-F164 HydrophobicContact CZ2-CB 3.45Å; W75-F164 VanDerWaalsContact CZ2-CB 3.45Å; W75-F164 HydrophobicContact CZ2-CG 4.48Å; W75-F164 HydrophobicContact CZ3-CB 3.87Å; V79-F164 HydrophobicContact CG2-CD2 3.98Å; V79-F164 HydrophobicContact CG2-CE2 4Å; Q92-F164 HydrophobicContact CB-CZ 4.24Å; C93-F164 WeakPolarHBondContact O-CA 3.1Å; C93-F164 WeakPolarHBondContact O-CD2 3.28Å; C94-F164 HydrophobicContact CB-CD2 4.36Å; F164-E176 PolarHBondContact O-N 3.36Å; F164-D177 PolarHBondContact N-O 3.26Å; F164-D177 PolarHBondContact O-N 3Å
165	G	97.9	Very high	96	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.6	-150.3	-177.7	0	0	0	0	0	111.4	Q92 C93 F173 T174	Q92-G165 WeakPolarHBondContact CA-O 3.44Å; Q92-G165 PolarHBondContact OE1-O 2.88Å; C93-G165 PolarHBondContact N-O 2.89Å; C93-G165 PolarHBondContact O-N 2.89Å; C93-G165 VanDerWaalsContact O-N 3.11Å; G165-F173 WeakPolarHBondContact O-CZ 3.46Å; G165-T174 WeakPolarHBondContact CA-O 3.26Å
166	A	97.3	Very high	96	Very high	11 Å²	11	32.8 Å²	32.8	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.5	-178.2	0	0	0	0	0	112.8	E91 T174	E91-A166 WeakPolarHBondContact O-CA 3.38Å; E91-A166 VanDerWaalsContact O-CB 3.27Å; E91-A166 WeakPolarHBondContact O-CB 3.41Å; A166-T174 PolarHBondContact N-O 3.44Å; A166-T174 PolarHBondContact O-N 3.46Å
167	E	95.4	Very high	96.1	Very high	41 Å²	41	35 Å²	35	19%	0.192	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	133.8	166.2	-173.2	-168.1	-155.2	0	0	110.3	T89 G90 I144	T89-E167 PolarHBondContact OG1-OE2 2.89Å; G90-E167 PolarHBondContact N-O 2.94Å; I144-E167 HydrophobicContact CD1-CG 4.16Å
168	K	89.5	Confident	96.1	Very high	100 Å²	100	37.9 Å²	37.9	44%	0.435	20%	0.198	S	C	.	.			trans	-99.6	167.6	171.5	-70.4	-177.5	-174.8	150.1	0	111.6	E147 D170 G171 K172 T174	E147-K168 IonicContact OE1-NZ 3.93Å; E147-K168 PolarHBondContact OE1-NZ 3.08Å; K168-D170 WeakPolarHBondContact CB-OD1 3.47Å; K168-D170 PolarHBondContact O-N 3.27Å; K168-G171 PolarHBondContact O-N 3.29Å; K168-G171 VanDerWaalsContact O-N 3.11Å; K168-K172 PolarHBondContact N-O 3.16Å; K168-T174 VanDerWaalsContact CD-OG1 3.25Å; K168-T174 WeakPolarHBondContact CD-OG1 3.31Å; K168-T174 WeakPolarHBondContact CE-OG1 3.48Å; K168-T174 PolarHBondContact NZ-OG1 2.87Å
169	N	87	Confident	96	Very high	163 Å²	163	38.6 Å²	38.6	87%	0.872	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.2	-179.5	-62.3	-16.1	0	0	0	115.5	T89	T89-N169 VanDerWaalsContact CG2-OD1 3.27Å; T89-N169 WeakPolarHBondContact CG2-OD1 3.26Å
170	D	89.1	Confident	96	Very high	84 Å²	84	39.7 Å²	39.7	45%	0.449	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	5.4	178.4	71.7	-22.2	0	0	0	113.6	K168 K172	K168-D170 WeakPolarHBondContact CB-OD1 3.47Å; K168-D170 PolarHBondContact O-N 3.27Å; D170-K172 VanDerWaalsContact C-N 3.31Å; D170-K172 PolarHBondContact OD1-N 2.84Å; D170-K172 IonicContact OD2-NZ 3.8Å; D170-K172 PolarHBondContact OD2-NZ 2.71Å
171	G	89.5	Confident	95.9	Very high	40 Å²	40	39.3 Å²	39.3	41%	0.412	21%	0.207	S	C	.	.	S	Bend	trans	74	20.2	179.9	0	0	0	0	0	113.6	K168	K168-G171 PolarHBondContact O-N 3.29Å; K168-G171 VanDerWaalsContact O-N 3.11Å
172	K	95.6	Very high	95.8	Very high	64 Å²	64	40.4 Å²	40.4	28%	0.278	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	150	172.6	-52.9	-157	-142.8	93.2	0	111.2	K145 E147 K168 D170	K145-K172 HydrophobicContact CB-CD 4.17Å; K145-K172 HydrophobicContact CB-CG 4.19Å; E147-K172 HydrophobicContact CG-CB 4.32Å; E147-K172 IonicContact OE2-NZ 3.74Å; E147-K172 PolarHBondContact OE2-NZ 2.72Å; K168-K172 PolarHBondContact N-O 3.16Å; D170-K172 VanDerWaalsContact C-N 3.31Å; D170-K172 PolarHBondContact OD1-N 2.84Å; D170-K172 IonicContact OD2-NZ 3.8Å; D170-K172 PolarHBondContact OD2-NZ 2.71Å
173	F	97.8	Very high	95.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.7	170.9	-163.8	-86	0	0	0	109.9	L87 I95 I144 K145 L146 E147 I163 G165 V175	L87-F173 HydrophobicContact CD2-CE2 4.24Å; I95-F173 HydrophobicContact CD1-CD2 3.82Å; I95-F173 HydrophobicContact CD1-CE2 3.52Å; I95-F173 HydrophobicContact CD1-CZ 4.13Å; I95-F173 HydrophobicContact CG1-CE2 4.15Å; I95-F173 HydrophobicContact CG1-CZ 4.33Å; I144-F173 HydrophobicContact CD1-CB 3.86Å; I144-F173 HydrophobicContact CG1-CB 4.05Å; I144-F173 HydrophobicContact CG2-CB 4.15Å; K145-F173 PolarHBondContact O-N 2.87Å; L146-F173 HydrophobicContact CD2-CB 3.89Å; L146-F173 HydrophobicContact CD2-CD1 4.42Å; L146-F173 HydrophobicContact CD2-CG 4.49Å; E147-F173 PolarHBondContact N-O 2.72Å; I163-F173 HydrophobicContact CB-CE1 4.49Å; I163-F173 HydrophobicContact CD1-CD1 3.48Å; I163-F173 VanDerWaalsContact CD1-CD1 3.48Å; I163-F173 HydrophobicContact CD1-CE1 3.6Å; I163-F173 HydrophobicContact CD1-CG 4.08Å; I163-F173 HydrophobicContact CD1-CZ 4.31Å; I163-F173 HydrophobicContact CG1-CD1 4.35Å; I163-F173 HydrophobicContact CG1-CE1 3.97Å; I163-F173 HydrophobicContact CG1-CZ 4.47Å; G165-F173 WeakPolarHBondContact O-CZ 3.46Å; F173-V175 HydrophobicContact CD1-CG2 4.03Å; F173-V175 HydrophobicContact CE1-CG2 4.48Å
174	T	98	Very high	95.6	Very high	22 Å²	22	40.4 Å²	40.4	14%	0.135	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	109	174.2	-60	0	0	0	0	109.6	E147 G165 A166 K168	E147-T174 PolarHBondContact OE1-OG1 3.28Å; E147-T174 VanDerWaalsContact OE1-OG1 3.14Å; G165-T174 WeakPolarHBondContact CA-O 3.26Å; A166-T174 PolarHBondContact N-O 3.44Å; A166-T174 PolarHBondContact O-N 3.46Å; K168-T174 VanDerWaalsContact CD-OG1 3.25Å; K168-T174 WeakPolarHBondContact CD-OG1 3.31Å; K168-T174 WeakPolarHBondContact CE-OG1 3.48Å; K168-T174 PolarHBondContact NZ-OG1 2.87Å
175	V	98.2	Very high	95.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.4	177.2	-175.3	0	0	0	0	109.4	L146 E147 K149 I150 I163 F173 D177 F178	L146-V175 HydrophobicContact CB-CG2 4.29Å; L146-V175 HydrophobicContact CD1-CG2 4.44Å; L146-V175 HydrophobicContact CD2-CG2 4.27Å; E147-V175 WeakPolarHBondContact O-CB 3.43Å; E147-V175 PolarHBondContact O-N 3.33Å; K149-V175 PolarHBondContact N-O 3.46Å; I150-V175 HydrophobicContact CB-CB 4.45Å; I150-V175 HydrophobicContact CB-CG1 4.31Å; I150-V175 HydrophobicContact CG2-CB 4.27Å; I150-V175 HydrophobicContact CG2-CG2 4.11Å; I163-V175 HydrophobicContact CB-CG1 4.39Å; I163-V175 HydrophobicContact CB-CG2 4.35Å; I163-V175 HydrophobicContact CD1-CG2 4.23Å; I163-V175 HydrophobicContact CG2-CG1 4.48Å; I163-V175 HydrophobicContact CG2-CG2 4.36Å; F173-V175 HydrophobicContact CD1-CG2 4.03Å; F173-V175 HydrophobicContact CE1-CG2 4.48Å; V175-D177 WeakPolarHBondContact CG1-O 3.42Å; V175-F178 HydrophobicContact CG1-CB 4.41Å
176	E	98.1	Very high	95.5	Very high	91 Å²	91	44.4 Å²	44.4	43%	0.425	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-32.4	171.3	-64.5	-172.3	-168.2	0	0	111.7	Q92 K149 F164	Q92-E176 PolarHBondContact NE2-OE1 3.06Å; K149-E176 VanDerWaalsContact CD-O 3.24Å; K149-E176 WeakPolarHBondContact CD-O 3.3Å; F164-E176 PolarHBondContact O-N 3.36Å
177	D	98	Very high	95.4	Very high	52 Å²	52	47.1 Å²	47.1	28%	0.278	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	161	176.6	-168.1	15.2	0	0	0	110	K74 W75 F164 V175	K74-D177 WeakPolarHBondContact CE-OD2 3.39Å; K74-D177 IonicContact NZ-OD1 3.97Å; K74-D177 PolarHBondContact NZ-OD1 2.89Å; K74-D177 IonicContact NZ-OD2 3.25Å; K74-D177 PolarHBondContact NZ-OD2 3.23Å; W75-D177 HydrophobicContact CZ2-CB 4.06Å; W75-D177 PolarHBondContact NE1-OD2 2.74Å; F164-D177 PolarHBondContact N-O 3.26Å; F164-D177 PolarHBondContact O-N 3Å; V175-D177 WeakPolarHBondContact CG1-O 3.42Å
178	F	97.9	Very high	95.3	Very high	67 Å²	67	51 Å²	51	29%	0.294	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	161.7	173.1	75	-82.6	0	0	0	111.4	K74 I150 I161 A162 I163 V175 T180	K74-F178 PolarHBondContact NZ-O 3.11Å; I150-F178 HydrophobicContact CB-CD1 4.49Å; I150-F178 HydrophobicContact CG1-CD1 4.3Å; I150-F178 HydrophobicContact CG1-CE1 4.32Å; I161-F178 HydrophobicContact CD1-CB 4.41Å; I161-F178 HydrophobicContact CD1-CD2 4.22Å; A162-F178 CarbonylContact O-C 3.54Å; A162-F178 VanDerWaalsContact O-CA 3.23Å; A162-F178 WeakPolarHBondContact O-CA 3.18Å; A162-F178 WeakPolarHBondContact O-CB 3.4Å; I163-F178 HydrophobicContact CG2-CB 4.02Å; V175-F178 HydrophobicContact CG1-CB 4.41Å; F178-T180 HydrophobicContact CE2-CG2 4.5Å
179	C	96.7	Very high	95.5	Very high	15 Å²	15	49.8 Å²	49.8	10%	0.101	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	153.4	170.4	67.9	0	0	0	0	112.4	K74 A162	K74-C179 HydrophobicContact CD-CB 3.73Å; A162-C179 PolarHBondContact N-O 3.45Å; A162-C179 PolarHBondContact O-N 3.31Å
180	T	97.3	Very high	95.8	Very high	28 Å²	28	44.7 Å²	44.7	17%	0.172	25%	0.254	C	S	.	.			trans	-98.8	173.1	174	61	0	0	0	0	109.9	L67 I161 F178 D182 R372 L373	L67-T180 VanDerWaalsContact CD2-C 3.47Å; I161-T180 HydrophobicContact CG2-CG2 4.35Å; F178-T180 HydrophobicContact CE2-CG2 4.5Å; T180-D182 PolarHBondContact O-N 2.82Å; T180-R372 WeakPolarHBondContact CB-O 3.41Å; T180-R372 PolarHBondContact OG1-O 3.28Å; T180-L373 HydrophobicContact CG2-CD2 3.86Å
181	A	97	Very high	96	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.274	C	S	.	.			trans	-69.5	-20.2	-179	0	0	0	0	0	113.5	M63 V66 L67 R70 R374	M63-A181 HydrophobicContact CE-CB 3.45Å; M63-A181 VanDerWaalsContact CE-CB 3.45Å; V66-A181 HydrophobicContact CG1-CB 3.89Å; L67-A181 HydrophobicContact CD2-CB 4.13Å; L67-A181 HydrophobicContact CG-CB 4.34Å; R70-A181 PolarHBondContact NE-O 2.78Å; A181-R374 HydrophobicContact CB-CB 3.79Å
182	D	96.3	Very high	96.1	Very high	26 Å²	26	46.6 Å²	46.6	14%	0.139	26%	0.26	C	S	.	.			trans	57	-172.1	-174.4	-157	7.7	0	0	0	112.5	T180 R372 S420	T180-D182 PolarHBondContact O-N 2.82Å; D182-R372 VanDerWaalsContact CA-O 3.3Å; D182-R372 WeakPolarHBondContact CA-O 3.35Å; D182-R372 PolarHBondContact N-O 2.81Å; D182-R372 VanDerWaalsContact OD1-CD 3.23Å; D182-R372 WeakPolarHBondContact OD1-CD 3.3Å; D182-R372 IonicContact OD1-CZ 3.9Å; D182-R372 IonicContact OD1-NE 3.93Å; D182-R372 IonicContact OD1-NH1 2.98Å; D182-R372 PolarHBondContact OD1-NH1 3.06Å; D182-R372 IonicContact OD2-NH1 2.8Å; D182-S420 PolarHBondContact OD2-OG 3.37Å
183	L	97.3	Very high	95.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-61.3	140.7	-175	-53.3	-167.3	0	0	0	112.2	R70 L371 I417 Q423 V425	R70-L183 PolarHBondContact NH2-O 2.98Å; L183-L371 HydrophobicContact CD2-CD1 4.06Å; L183-L371 HydrophobicContact CD2-CD2 3.76Å; L183-L371 HydrophobicContact CD2-CG 3.43Å; L183-L371 VanDerWaalsContact CD2-CG 3.43Å; L183-I417 HydrophobicContact CD1-CD1 4.39Å; L183-I417 HydrophobicContact CD2-CD1 4.36Å; L183-Q423 HydrophobicContact CB-CG 4.3Å; L183-Q423 HydrophobicContact CD1-CB 3.96Å; L183-Q423 PolarHBondContact O-NE2 3.36Å; L183-V425 HydrophobicContact CD1-CG2 4.11Å
184	P	96.4	Very high	95.5	Very high	1 Å²	1	52 Å²	52	1%	0.006	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-65.3	173.9	169.4	-6.5	16	0	0	0	112.8	R374 L397 E398 C400 Q423	P184-R374 VanDerWaalsContact CA-CZ 3.47Å; P184-R374 VanDerWaalsContact CA-NH2 3.33Å; P184-R374 VanDerWaalsContact CB-NH2 3.29Å; P184-R374 HydrophobicContact CG-CG 4.03Å; P184-L397 HydrophobicContact CG-CB 3.84Å; P184-L397 WeakPolarHBondContact CG-O 3.33Å; P184-E398 WeakPolarHBondContact CB-O 3.49Å; P184-C400 HydrophobicContact CB-CB 3.99Å; P184-C400 HydrophobicContact CG-CB 3.92Å; P184-C400 VanDerWaalsContact O-CB 3.3Å; P184-C400 WeakPolarHBondContact O-CB 2.98Å; P184-Q423 WeakPolarHBondContact O-CG 3.41Å; P184-Q423 PolarHBondContact O-NE2 2.76Å
185	S	96.2	Very high	95.3	Very high	83 Å²	83	52.6 Å²	52.6	58%	0.58	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-59.3	139.8	165.5	54.8	0	0	0	0	111.1	C400	S185-C400 PolarHBondContact O-N 3.06Å
186	Q	97.2	Very high	95.1	Very high	44 Å²	44	53.9 Å²	53.9	21%	0.206	31%	0.313	C	S	.	.			trans	-116.5	128.2	179.9	-161.5	179.2	55.1	0	0	110.5	R342 C400 P401 H402 Q423 E424	Q186-R342 VanDerWaalsContact CG-NH2 3.29Å; Q186-C400 HydrophobicContact CB-CB 3.85Å; Q186-C400 HydrophobicContact CG-CB 4.05Å; Q186-P401 PolarHBondContact NE2-O 3.44Å; Q186-H402 PolarHBondContact NE2-CD2 2.95Å; Q186-Q423 HydrophobicContact CB-CB 4.09Å; Q186-Q423 HydrophobicContact CB-CG 3.69Å; Q186-Q423 VanDerWaalsContact OE1-CA 3.28Å; Q186-E424 PolarHBondContact NE2-O 3.23Å; Q186-E424 PolarHBondContact OE1-O 3.37Å
187	T	94.4	Very high	95.1	Very high	67 Å²	67	49.6 Å²	49.6	41%	0.411	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-68.7	136.5	168.9	62.3	0	0	0	0	108.9	R342 H402	T187-R342 PolarHBondContact OG1-NE 3.48Å; T187-R342 PolarHBondContact OG1-NH2 3.07Å; T187-H402 PolarHBondContact O-NE2 3.29Å
188	P	94.1	Very high	95.1	Very high	123 Å²	123	47.1 Å²	47.1	80%	0.799	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-57.9	141.5	176.8	-25.1	34.6	0	0	0	112.7
189	R	93.6	Very high	95.2	Very high	75 Å²	75	43.9 Å²	43.9	28%	0.283	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-77.3	139.1	174.9	-174.7	173.1	59.7	89.5	-5.1	110.4	V341 L444 R445	R189-V341 HydrophobicContact CG-CG2 4.17Å; R189-L444 PolarHBondContact NH1-O 3.16Å; R189-R445 PolarHBondContact NH1-O 2.84Å; R189-R445 PolarHBondContact NH2-O 3.09Å
190	P	93.3	Very high	95.3	Very high	56 Å²	56	43.2 Å²	43.2	36%	0.364	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-70.1	153.7	173.2	29.9	-35.3	0	0	0	111.7	L192 G340	P190-L192 HydrophobicContact CG-CD2 4.35Å; P190-G340 WeakPolarHBondContact CD-O 3.3Å
191	T	92.4	Very high	95.3	Very high	142 Å²	142	41.9 Å²	41.9	87%	0.871	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-80	120	169.8	-50.3	0	0	0	0	109.5
192	L	92.4	Very high	95.4	Very high	22 Å²	22	41.9 Å²	41.9	12%	0.115	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-93.7	139.3	176.8	-56.4	-178.5	0	0	0	110.6	P190 D339 L444 R445	P190-L192 HydrophobicContact CG-CD2 4.35Å; L192-D339 HydrophobicContact CD1-CB 4.46Å; L192-D339 WeakPolarHBondContact CD2-OD2 3.15Å; L192-L444 HydrophobicContact CD1-CB 3.62Å; L192-R445 HydrophobicContact CB-CB 4.14Å; L192-R445 HydrophobicContact CB-CG 4.18Å; L192-R445 WeakPolarHBondContact O-CD 3.49Å; L192-R445 WeakPolarHBondContact O-CG 3.42Å
193	S	91.1	Very high	95.5	Very high	123 Å²	123	40.7 Å²	40.7	86%	0.86	25%	0.246	S	C	*	.	S	Bend	trans	-79.4	-24.8	-176.8	54.8	0	0	0	0	114
194	C	90.5	Very high	95.4	Very high	53 Å²	53	40.9 Å²	40.9	36%	0.358	25%	0.247	S	C	.	.	S	Bend	trans	-135	160	-178.7	65.4	0	0	0	0	111.2	K196	C194-K196 VanDerWaalsContact SG-CE 3.55Å
195	D	93.3	Very high	95.3	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.193	25%	0.25	C	C	.	.			trans	-73	131.4	172.8	-69.4	-45.6	0	0	0	110.4	L5 F197 N443 R445	L5-D195 HydrophobicContact CD1-CB 4.08Å; D195-F197 HydrophobicContact CB-CE2 3.89Å; D195-F197 HydrophobicContact CB-CZ 4.27Å; D195-N443 VanDerWaalsContact CG-ND2 3.27Å; D195-N443 PolarHBondContact OD1-ND2 3.33Å; D195-N443 PolarHBondContact OD1-OD1 2.82Å; D195-R445 IonicContact OD1-CZ 2.89Å; D195-R445 VanDerWaalsContact OD1-CZ 3.23Å; D195-R445 IonicContact OD1-NE 3.88Å; D195-R445 PolarHBondContact OD1-NE 3.19Å; D195-R445 IonicContact OD1-NH2 2.78Å; D195-R445 PolarHBondContact OD1-NH2 3.27Å; D195-R445 IonicContact OD2-CZ 3.82Å; D195-R445 IonicContact OD2-NE 3.16Å; D195-R445 IonicContact OD2-NH2 3.56Å; D195-R445 PolarHBondContact OD2-NH2 3.39Å
196	K	94.9	Very high	95.2	Very high	28 Å²	28	37.3 Å²	37.3	12%	0.122	22%	0.223	C	C	.	.			trans	-137.8	141.4	173.7	-56.2	-176.9	-166.9	165.5	0	107.5	L32 C194 D339 L444	L32-K196 HydrophobicContact CD2-CD 3.25Å; L32-K196 VanDerWaalsContact CD2-NZ 3.31Å; L32-K196 HydrophobicContact CG-CD 4.45Å; C194-K196 VanDerWaalsContact SG-CE 3.55Å; K196-D339 WeakPolarHBondContact CD-OD2 3.28Å; K196-D339 WeakPolarHBondContact CE-OD2 3.31Å; K196-D339 IonicContact NZ-OD1 2.6Å; K196-D339 PolarHBondContact NZ-OD1 3.06Å; K196-D339 IonicContact NZ-OD2 3.77Å; K196-D339 PolarHBondContact NZ-OD2 2.96Å; K196-L444 HydrophobicContact CB-CD1 4.25Å; K196-L444 WeakPolarHBondContact O-CG 3.07Å; K196-L444 PolarHBondContact O-N 2.86Å
197	F	97.3	Very high	94.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.3	-172.4	-61.8	-99.8	0	0	0	111.8	F2 L5 D195 S239 I240 S241 L441 V442 N443	F2-F197 HydrophobicContact CB-CE1 4.01Å; F2-F197 HydrophobicContact CB-CZ 4.27Å; F2-F197 HydrophobicContact CD2-CD1 4.27Å; F2-F197 HydrophobicContact CD2-CD2 4.2Å; F2-F197 HydrophobicContact CD2-CE1 4.17Å; F2-F197 HydrophobicContact CD2-CE2 4.13Å; F2-F197 HydrophobicContact CD2-CG 4.26Å; F2-F197 HydrophobicContact CD2-CZ 4.11Å; L5-F197 HydrophobicContact CD1-CE2 3.38Å; L5-F197 HydrophobicContact CD1-CZ 3.57Å; D195-F197 HydrophobicContact CB-CE2 3.89Å; D195-F197 HydrophobicContact CB-CZ 4.27Å; F197-S239 WeakPolarHBondContact CD2-OG 3.46Å; F197-S239 WeakPolarHBondContact CE2-OG 3.46Å; F197-S239 PolarHBondContact N-O 2.86Å; F197-I240 HydrophobicContact CB-CG1 4.4Å; F197-S241 PolarHBondContact O-N 3.01Å; F197-S241 PolarHBondContact O-OG 2.86Å; F197-L441 HydrophobicContact CB-CD2 4.08Å; F197-L441 HydrophobicContact CD1-CB 4.18Å; F197-V442 VanDerWaalsContact CA-O 3.28Å; F197-V442 WeakPolarHBondContact CA-O 3.42Å; F197-N443 HydrophobicContact CD1-CB 3.97Å; F197-N443 HydrophobicContact CE1-CB 3.67Å; F197-N443 HydrophobicContact CZ-CB 4.3Å
198	V	98.4	Very high	94.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.3	165	177.4	0	0	0	0	107.3	L200 R242 I338 F343 V442 L444	V198-L200 HydrophobicContact CG1-CD2 3.93Å; V198-R242 WeakPolarHBondContact CA-O 3.44Å; V198-R242 HydrophobicContact CG2-CB 4.47Å; V198-I338 HydrophobicContact CG2-CD1 4.19Å; V198-I338 HydrophobicContact CG2-CG2 3.97Å; V198-F343 HydrophobicContact CB-CE1 4.36Å; V198-F343 HydrophobicContact CB-CZ 4.16Å; V198-F343 HydrophobicContact CG1-CE1 4.25Å; V198-F343 HydrophobicContact CG1-CZ 4.46Å; V198-F343 HydrophobicContact CG2-CZ 4.07Å; V198-V442 PolarHBondContact N-O 2.72Å; V198-V442 PolarHBondContact O-N 3.46Å; V198-L444 HydrophobicContact CG2-CD1 4.14Å; V198-L444 HydrophobicContact CG2-CD2 3.79Å; V198-L444 HydrophobicContact CG2-CG 4.19Å
199	L	98.8	Very high	93.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.2	173.8	-173.9	141.3	0	0	0	109.7	A201 L220 M223 V224 I240 R242 V243 L244 A439 C440 L441	L199-A201 HydrophobicContact CD2-CB 4.16Å; L199-L220 HydrophobicContact CD1-CD1 3.72Å; L199-L220 HydrophobicContact CD2-CD1 4.22Å; L199-M223 HydrophobicContact CD1-CE 4Å; L199-V224 HydrophobicContact CD1-CG2 3.72Å; L199-I240 HydrophobicContact CB-CG2 4Å; L199-I240 HydrophobicContact CD1-CD1 4.49Å; L199-R242 PolarHBondContact N-O 2.75Å; L199-V243 HydrophobicContact CB-CG2 4.29Å; L199-V243 HydrophobicContact CD2-CG1 3.89Å; L199-V243 CarbonylContact O-C 3.5Å; L199-V243 WeakPolarHBondContact O-CA 3.36Å; L199-L244 PolarHBondContact O-N 2.8Å; L199-A439 HydrophobicContact CD1-CB 4.36Å; L199-A439 HydrophobicContact CD2-CB 4.28Å; L199-A439 HydrophobicContact CG-CB 4.36Å; L199-C440 CarbonylContact C-O 3.6Å; L199-C440 WeakPolarHBondContact CA-O 3.35Å; L199-L441 HydrophobicContact CB-CD2 3.87Å; L199-L441 HydrophobicContact CD1-CD2 3.98Å; L199-L441 HydrophobicContact CG-CD2 4.23Å
200	L	98.9	Very high	91.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.5	173.1	-50	-179.6	0	0	0	108.8	V198 L244 F405 V428 V430 C440 V442	V198-L200 HydrophobicContact CG1-CD2 3.93Å; L200-L244 HydrophobicContact CD2-CB 3.77Å; L200-L244 HydrophobicContact CD2-CD2 3.73Å; L200-L244 HydrophobicContact CD2-CG 4.23Å; L200-F405 HydrophobicContact CD1-CB 4.3Å; L200-F405 HydrophobicContact CD1-CG 4.37Å; L200-V428 HydrophobicContact CD1-CG1 4.31Å; L200-V430 HydrophobicContact CB-CG1 4.12Å; L200-V430 HydrophobicContact CB-CG2 3.74Å; L200-V430 HydrophobicContact CD1-CG2 3.82Å; L200-V430 HydrophobicContact CG-CG2 4.43Å; L200-C440 HydrophobicContact CB-CB 4.23Å; L200-C440 PolarHBondContact N-O 3.22Å; L200-C440 PolarHBondContact O-N 3.05Å; L200-V442 HydrophobicContact CD1-CG2 3.84Å; L200-V442 HydrophobicContact CG-CG2 4.26Å
201	A	98.8	Very high	90.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.9	169.2	0	0	0	0	0	109.5	L199 L220 L244 L245 A246 A439	L199-A201 HydrophobicContact CD2-CB 4.16Å; A201-L220 HydrophobicContact CB-CD2 4.43Å; A201-L244 PolarHBondContact N-O 2.96Å; A201-L245 HydrophobicContact CB-CD2 3.96Å; A201-L245 CarbonylContact O-C 3.6Å; A201-L245 WeakPolarHBondContact O-CA 3.06Å; A201-A246 PolarHBondContact O-N 3.24Å; A201-A439 HydrophobicContact CB-CB 4.35Å
202	S	98.6	Very high	89.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-148.7	162.3	176	54	0	0	0	0	110.2	N408 V430 P431 F433	S202-N408 PolarHBondContact OG-N 3.41Å; S202-V430 WeakPolarHBondContact OG-CG1 3.25Å; S202-V430 PolarHBondContact OG-O 3.48Å; S202-P431 PolarHBondContact OG-O 2.99Å; S202-F433 VanDerWaalsContact O-CB 3.22Å; S202-F433 WeakPolarHBondContact O-CB 3.2Å; S202-F433 PolarHBondContact O-N 2.78Å
203	G	97.2	Very high	88.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.236	C	C	.	.			trans	66	47.1	170.9	0	0	0	0	0	112.7	G205 G247 N248 N408 D432 F433 S434	G203-G205 PolarHBondContact O-N 2.97Å; G203-G247 PolarHBondContact N-O 2.96Å; G203-N248 CarbonylContact C-O 3.37Å; G203-N248 VanDerWaalsContact CA-O 3.23Å; G203-N248 WeakPolarHBondContact CA-O 3.24Å; G203-N408 WeakPolarHBondContact CA-OD1 3.36Å; G203-N408 PolarHBondContact N-OD1 2.94Å; G203-D432 VanDerWaalsContact CA-OD1 3.27Å; G203-D432 WeakPolarHBondContact CA-OD1 3.42Å; G203-F433 PolarHBondContact O-N 2.88Å; G203-S434 VanDerWaalsContact O-CB 3.31Å; G203-S434 WeakPolarHBondContact O-CB 3.34Å; G203-S434 PolarHBondContact O-N 2.91Å
204	L	96.3	Very high	88	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	22%	0.215	C	C	.	.			trans	-62.2	-30.5	177.4	-55.1	-172.5	0	0	0	111.1	L206 L217 L245 N248 L249 L281 F433	L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 HydrophobicContact CB-CG 4.4Å; L204-L206 PolarHBondContact O-N 2.76Å; L204-L217 HydrophobicContact CD2-CD1 3.86Å; L204-L245 HydrophobicContact CD1-CD1 4.27Å; L204-N248 PolarHBondContact N-O 2.83Å; L204-L249 HydrophobicContact CD1-CD2 4.08Å; L204-L249 HydrophobicContact CG-CD2 4.25Å; L204-L281 HydrophobicContact CD1-CD1 4.26Å; L204-F433 HydrophobicContact CD2-CB 4.32Å; L204-F433 HydrophobicContact CD2-CG 4.48Å
205	G	93.9	Very high	88.1	Confident	6 Å²	6	38.1 Å²	38.1	6%	0.062	22%	0.219	C	C	.	.			trans	64.4	33.1	170.3	0	0	0	0	0	114.2	G203 S208 N248 L249 S251	G203-G205 PolarHBondContact O-N 2.97Å; G205-S208 VanDerWaalsContact O-CB 3.28Å; G205-S208 WeakPolarHBondContact O-CB 3.28Å; G205-S208 PolarHBondContact O-N 3.34Å; G205-S208 PolarHBondContact O-OG 3.1Å; G205-S208 VanDerWaalsContact O-OG 3.09Å; G205-N248 PolarHBondContact N-O 3.1Å; G205-L249 PolarHBondContact N-O 3.3Å; G205-S251 WeakPolarHBondContact O-CB 3.38Å
206	L	93.4	Very high	88.1	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-61.9	139	179.5	-65.9	171.8	0	0	0	111	L204 M214 L217 L249 S251 T254 A277 L281	L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 HydrophobicContact CB-CG 4.4Å; L204-L206 PolarHBondContact O-N 2.76Å; L206-M214 HydrophobicContact CD2-CE 4.45Å; L206-M214 HydrophobicContact CD2-SD 3.93Å; L206-L217 HydrophobicContact CD2-CD2 3.9Å; L206-L249 WeakPolarHBondContact CB-O 3.46Å; L206-L249 PolarHBondContact N-O 3.27Å; L206-S251 PolarHBondContact O-N 2.78Å; L206-T254 WeakPolarHBondContact O-CG2 3.14Å; L206-A277 HydrophobicContact CB-CB 4.24Å; L206-L281 HydrophobicContact CD1-CB 3.58Å; L206-L281 HydrophobicContact CD1-CD1 3.87Å; L206-L281 HydrophobicContact CD1-CG 4.27Å
207	G	86.7	Confident	88.1	Confident	39 Å²	39	35.5 Å²	35.5	40%	0.402	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	11.1	-172.4	0	0	0	0	0	114.4
208	S	83.3	Confident	88	Confident	32 Å²	32	38.7 Å²	38.7	22%	0.224	22%	0.221	C	C	.	.	S	Bend	trans	-77.9	165.5	163.9	72.4	0	0	0	0	111.4	G205 R210	G205-S208 VanDerWaalsContact O-CB 3.28Å; G205-S208 WeakPolarHBondContact O-CB 3.28Å; G205-S208 PolarHBondContact O-N 3.34Å; G205-S208 PolarHBondContact O-OG 3.1Å; G205-S208 VanDerWaalsContact O-OG 3.09Å; S208-R210 PolarHBondContact O-N 3.15Å
209	T	71.9	Confident	87.9	Confident	140 Å²	140	41 Å²	41	86%	0.859	23%	0.233	S	C	*	.	S	Bend	trans	-82.9	5.8	176.5	54.8	0	0	0	0	113.6	A211	T209-A211 PolarHBondContact O-N 3.07Å
210	R	68.6	Low	87.8	Confident	139 Å²	139	41.3 Å²	41.3	53%	0.525	24%	0.235	S	C	.	.			trans	-92.2	92.8	-174.3	-67.7	-176.3	178.1	177.6	-1.5	111.3	S208 D212 S213	S208-R210 PolarHBondContact O-N 3.15Å; R210-D212 VanDerWaalsContact C-N 3.29Å; R210-D212 PolarHBondContact O-N 3.11Å; R210-S213 PolarHBondContact O-N 3.05Å; R210-S213 PolarHBondContact O-OG 3.25Å
211	A	62.6	Low	87.8	Confident	75 Å²	75	41.3 Å²	41.3	62%	0.62	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-35.4	-179.6	0	0	0	0	0	113.3	T209 S213 M214	T209-A211 PolarHBondContact O-N 3.07Å; A211-S213 PolarHBondContact O-N 3.08Å; A211-S213 VanDerWaalsContact O-N 3.16Å; A211-M214 WeakPolarHBondContact O-CB 3.36Å; A211-M214 PolarHBondContact O-N 3.43Å
212	D	64.1	Low	87.7	Confident	122 Å²	122	43.3 Å²	43.3	65%	0.652	25%	0.246	S	C	*	.	H	α-helix	trans	-61.8	-27.9	-175.9	-51.4	-31.8	0	0	0	113.1	R210 M214 Q437	R210-D212 VanDerWaalsContact C-N 3.29Å; R210-D212 PolarHBondContact O-N 3.11Å; D212-M214 VanDerWaalsContact C-N 3.26Å; D212-M214 PolarHBondContact O-N 2.82Å; D212-Q437 PolarHBondContact O-NE2 3Å
213	S	74.9	Confident	87.6	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-68	-24.4	177.7	67.9	0	0	0	0	113.3	R210 A211 L217	R210-S213 PolarHBondContact O-N 3.05Å; R210-S213 PolarHBondContact O-OG 3.25Å; A211-S213 PolarHBondContact O-N 3.08Å; A211-S213 VanDerWaalsContact O-N 3.16Å; S213-L217 VanDerWaalsContact O-CB 3.24Å; S213-L217 WeakPolarHBondContact O-CB 3.43Å; S213-L217 PolarHBondContact O-N 2.85Å
214	M	86.6	Confident	87.7	Confident	84 Å²	84	44.1 Å²	44.1	41%	0.414	25%	0.25	S	C	.	.	H	α-helix	trans	-73	-37.6	-176.2	-65.5	-66.9	-74.8	0	0	112.2	L206 A211 D212 L217 Q218 L280	L206-M214 HydrophobicContact CD2-CE 4.45Å; L206-M214 HydrophobicContact CD2-SD 3.93Å; A211-M214 WeakPolarHBondContact O-CB 3.36Å; A211-M214 PolarHBondContact O-N 3.43Å; D212-M214 VanDerWaalsContact C-N 3.26Å; D212-M214 PolarHBondContact O-N 2.82Å; M214-L217 PolarHBondContact O-N 3.16Å; M214-Q218 PolarHBondContact O-N 3.47Å; M214-L280 HydrophobicContact CE-CD1 4.36Å
215	L	91.8	Very high	87.7	Confident	85 Å²	85	45 Å²	45	45%	0.445	26%	0.255	S	S	.	.	H	α-helix	trans	-70.1	-44.9	176.8	179.1	54.3	0	0	0	111.1	L217 Q218 L219 A456	L215-L217 PolarHBondContact O-N 2.96Å; L215-Q218 PolarHBondContact O-N 3.46Å; L215-Q218 VanDerWaalsContact O-N 3.16Å; L215-L219 HydrophobicContact CD1-CG 4.35Å; L215-L219 HydrophobicContact CG-CD1 4.45Å; L215-L219 WeakPolarHBondContact O-CG 3.31Å; L215-L219 PolarHBondContact O-N 2.64Å; L215-A456 HydrophobicContact CD2-CB 3.22Å; L215-A456 HydrophobicContact CG-CB 3.93Å
216	G	93.6	Very high	87.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-38.7	173.2	0	0	0	0	0	112.2	L219 L220	G216-L219 PolarHBondContact O-N 2.67Å; G216-L220 PolarHBondContact O-N 3.45Å
217	L	93.9	Very high	87.8	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-40.8	176.8	-174.1	56.9	0	0	0	112.7	L204 L206 S213 M214 L215 L220 V221 L284 F433	L204-L217 HydrophobicContact CD2-CD1 3.86Å; L206-L217 HydrophobicContact CD2-CD2 3.9Å; S213-L217 VanDerWaalsContact O-CB 3.24Å; S213-L217 WeakPolarHBondContact O-CB 3.43Å; S213-L217 PolarHBondContact O-N 2.85Å; M214-L217 PolarHBondContact O-N 3.16Å; L215-L217 PolarHBondContact O-N 2.96Å; L217-L220 HydrophobicContact CD1-CD2 4.25Å; L217-L220 WeakPolarHBondContact O-CB 3.4Å; L217-L220 PolarHBondContact O-N 3.09Å; L217-V221 WeakPolarHBondContact O-CG2 3.5Å; L217-V221 PolarHBondContact O-N 2.82Å; L217-L284 HydrophobicContact CD1-CD1 3.72Å; L217-L284 HydrophobicContact CD2-CD1 3.37Å; L217-L284 HydrophobicContact CG-CD1 3.38Å; L217-F433 HydrophobicContact CB-CE1 3.91Å; L217-F433 HydrophobicContact CD1-CD1 4.33Å; L217-F433 HydrophobicContact CD1-CE1 4.07Å
218	Q	95.8	Very high	88	Confident	68 Å²	68	52.8 Å²	52.8	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-41.4	173.5	-172.4	62.2	46.2	0	0	111.3	M214 L215 L220 V221 D222 Q287	M214-Q218 PolarHBondContact O-N 3.47Å; L215-Q218 PolarHBondContact O-N 3.46Å; L215-Q218 VanDerWaalsContact O-N 3.16Å; Q218-L220 VanDerWaalsContact C-N 3.3Å; Q218-L220 PolarHBondContact O-N 3.48Å; Q218-V221 PolarHBondContact O-N 2.91Å; Q218-V221 VanDerWaalsContact O-N 3.12Å; Q218-D222 PolarHBondContact NE2-OD1 3.47Å; Q218-D222 WeakPolarHBondContact O-CB 3.14Å; Q218-D222 VanDerWaalsContact O-CG 3.28Å; Q218-D222 PolarHBondContact O-N 2.69Å; Q218-Q287 VanDerWaalsContact NE2-OE1 3.09Å
219	L	96.6	Very high	88.4	Confident	47 Å²	47	52.3 Å²	52.3	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-38.8	174.9	-68.5	172.6	0	0	0	112.1	L215 G216 D222 M223 L228 F454	L215-L219 HydrophobicContact CD1-CG 4.35Å; L215-L219 HydrophobicContact CG-CD1 4.45Å; L215-L219 WeakPolarHBondContact O-CG 3.31Å; L215-L219 PolarHBondContact O-N 2.64Å; G216-L219 PolarHBondContact O-N 2.67Å; L219-D222 PolarHBondContact O-N 3.17Å; L219-M223 VanDerWaalsContact O-CB 3.3Å; L219-M223 WeakPolarHBondContact O-CB 3.48Å; L219-M223 PolarHBondContact O-N 2.99Å; L219-L228 HydrophobicContact CB-CD2 4.45Å; L219-L228 HydrophobicContact CD2-CD2 4.11Å; L219-L228 VanDerWaalsContact O-CD2 3.27Å; L219-L228 WeakPolarHBondContact O-CD2 3.25Å; L219-F454 HydrophobicContact CB-CB 4.44Å; L219-F454 HydrophobicContact CB-CD1 3.71Å; L219-F454 HydrophobicContact CB-CE1 4.45Å; L219-F454 HydrophobicContact CB-CG 4.4Å
220	L	97.3	Very high	89.2	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-48.3	172.2	169.2	63.8	0	0	0	111.3	L199 A201 G216 L217 Q218 M223 V224 F433 A439 F454	L199-L220 HydrophobicContact CD1-CD1 3.72Å; L199-L220 HydrophobicContact CD2-CD1 4.22Å; A201-L220 HydrophobicContact CB-CD2 4.43Å; G216-L220 PolarHBondContact O-N 3.45Å; L217-L220 HydrophobicContact CD1-CD2 4.25Å; L217-L220 WeakPolarHBondContact O-CB 3.4Å; L217-L220 PolarHBondContact O-N 3.09Å; Q218-L220 VanDerWaalsContact C-N 3.3Å; Q218-L220 PolarHBondContact O-N 3.48Å; L220-M223 HydrophobicContact CD1-CE 4.25Å; L220-M223 PolarHBondContact O-N 3.07Å; L220-V224 HydrophobicContact CD1-CG2 4.01Å; L220-V224 WeakPolarHBondContact O-CB 3.35Å; L220-V224 VanDerWaalsContact O-CG2 3.3Å; L220-V224 WeakPolarHBondContact O-CG2 3.13Å; L220-V224 PolarHBondContact O-N 2.76Å; L220-F433 HydrophobicContact CB-CE2 4.29Å; L220-F433 HydrophobicContact CB-CZ 4.07Å; L220-F433 HydrophobicContact CD2-CD2 4.23Å; L220-F433 HydrophobicContact CD2-CE2 3.72Å; L220-F433 HydrophobicContact CD2-CZ 4.08Å; L220-A439 HydrophobicContact CD1-CB 4.07Å; L220-A439 HydrophobicContact CD2-CB 4.49Å; L220-F454 HydrophobicContact CB-CD2 4.17Å; L220-F454 HydrophobicContact CB-CE1 4.19Å; L220-F454 HydrophobicContact CB-CE2 3.82Å; L220-F454 HydrophobicContact CB-CZ 3.83Å; L220-F454 HydrophobicContact CD1-CE2 3.67Å; L220-F454 HydrophobicContact CD1-CZ 3.59Å; L220-F454 HydrophobicContact CG-CE2 4.26Å; L220-F454 HydrophobicContact CG-CZ 4.32Å
221	V	97.9	Very high	90.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-45.7	179.3	174	0	0	0	0	110.8	L217 Q218 M223 V224 T225 L284 Q287 L288	L217-V221 WeakPolarHBondContact O-CG2 3.5Å; L217-V221 PolarHBondContact O-N 2.82Å; Q218-V221 PolarHBondContact O-N 2.91Å; Q218-V221 VanDerWaalsContact O-N 3.12Å; V221-M223 PolarHBondContact O-N 3.25Å; V221-V224 PolarHBondContact O-N 3.19Å; V221-T225 HydrophobicContact CG1-CG2 4.21Å; V221-T225 WeakPolarHBondContact O-CB 3.26Å; V221-T225 VanDerWaalsContact O-CG2 3.27Å; V221-T225 WeakPolarHBondContact O-CG2 3.33Å; V221-T225 PolarHBondContact O-N 3.08Å; V221-T225 PolarHBondContact O-OG1 3.25Å; V221-L284 HydrophobicContact CG2-CD1 4.02Å; V221-L284 HydrophobicContact CG2-CD2 4.23Å; V221-L284 HydrophobicContact CG2-CG 3.8Å; V221-Q287 HydrophobicContact CG1-CB 3.67Å; V221-Q287 HydrophobicContact CG1-CG 4.48Å; V221-L288 HydrophobicContact CB-CD2 4.43Å; V221-L288 HydrophobicContact CG1-CD2 4.2Å; V221-L288 HydrophobicContact CG1-CG 4.45Å; V221-L288 HydrophobicContact CG2-CD2 4.22Å; V221-L288 HydrophobicContact CG2-CG 4.31Å
222	D	97.6	Very high	91.4	Very high	41 Å²	41	38.3 Å²	38.3	22%	0.219	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-38.5	179.8	-72.4	-10.9	0	0	0	111.7	Q218 L219 T225 G226 Q227 L228	Q218-D222 PolarHBondContact NE2-OD1 3.47Å; Q218-D222 WeakPolarHBondContact O-CB 3.14Å; Q218-D222 VanDerWaalsContact O-CG 3.28Å; Q218-D222 PolarHBondContact O-N 2.69Å; L219-D222 PolarHBondContact O-N 3.17Å; D222-T225 WeakPolarHBondContact CA-OG1 3.46Å; D222-T225 PolarHBondContact O-OG1 2.85Å; D222-G226 PolarHBondContact O-N 3.44Å; D222-Q227 HydrophobicContact CB-CB 4.07Å; D222-Q227 PolarHBondContact O-N 2.96Å; D222-L228 HydrophobicContact CB-CB 4.28Å; D222-L228 HydrophobicContact CB-CD2 3.81Å; D222-L228 HydrophobicContact CB-CG 4.22Å; D222-L228 PolarHBondContact O-N 3.19Å
223	M	96.6	Very high	92.7	Very high	17 Å²	17	36.9 Å²	36.9	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-52	172.6	-176	-82.8	-70.6	0	0	110.5	F2 L199 L219 L220 V221 T225 G226 L228 A237 I240 V452 F454	F2-M223 HydrophobicContact CE1-SD 4.43Å; F2-M223 HydrophobicContact CZ-SD 4.26Å; L199-M223 HydrophobicContact CD1-CE 4Å; L219-M223 VanDerWaalsContact O-CB 3.3Å; L219-M223 WeakPolarHBondContact O-CB 3.48Å; L219-M223 PolarHBondContact O-N 2.99Å; L220-M223 HydrophobicContact CD1-CE 4.25Å; L220-M223 PolarHBondContact O-N 3.07Å; V221-M223 PolarHBondContact O-N 3.25Å; M223-T225 VanDerWaalsContact C-N 3.31Å; M223-T225 PolarHBondContact O-N 3.07Å; M223-G226 PolarHBondContact O-N 3.17Å; M223-L228 HydrophobicContact CB-CD1 4.06Å; M223-L228 HydrophobicContact CB-CD2 3.93Å; M223-L228 HydrophobicContact CB-CG 4.01Å; M223-L228 HydrophobicContact CG-CD1 4.29Å; M223-A237 WeakPolarHBondContact O-CB 2.97Å; M223-A237 HydrophobicContact SD-CB 4.41Å; M223-I240 HydrophobicContact CE-CD1 4.14Å; M223-I240 HydrophobicContact SD-CD1 3.74Å; M223-V452 HydrophobicContact CE-CG1 4.43Å; M223-F454 HydrophobicContact CB-CE1 4.17Å; M223-F454 HydrophobicContact CE-CE1 4.5Å; M223-F454 HydrophobicContact CE-CZ 3.88Å
224	V	97.3	Very high	93.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-43	-177.8	170.6	0	0	0	0	110.6	R29 L199 L220 V221 G226 I240 V243 L288 V292	R29-V224 PolarHBondContact NH2-O 2.96Å; L199-V224 HydrophobicContact CD1-CG2 3.72Å; L220-V224 HydrophobicContact CD1-CG2 4.01Å; L220-V224 WeakPolarHBondContact O-CB 3.35Å; L220-V224 VanDerWaalsContact O-CG2 3.3Å; L220-V224 WeakPolarHBondContact O-CG2 3.13Å; L220-V224 PolarHBondContact O-N 2.76Å; V221-V224 PolarHBondContact O-N 3.19Å; V224-G226 VanDerWaalsContact C-N 3.28Å; V224-G226 PolarHBondContact O-N 3.25Å; V224-I240 HydrophobicContact CG2-CD1 4.29Å; V224-V243 HydrophobicContact CG1-CG2 3.87Å; V224-L288 HydrophobicContact CB-CD2 4.07Å; V224-L288 HydrophobicContact CG1-CD2 3.85Å; V224-V292 HydrophobicContact CG1-CG1 3.78Å
225	T	96.8	Very high	93.8	Very high	21 Å²	21	36.3 Å²	36.3	13%	0.129	20%	0.198	C	C	.	.	H	α-helix	trans	-79.4	-6.8	-177.3	56.5	0	0	0	0	113.9	V221 D222 M223 Q227 Q287 L288	V221-T225 HydrophobicContact CG1-CG2 4.21Å; V221-T225 WeakPolarHBondContact O-CB 3.26Å; V221-T225 VanDerWaalsContact O-CG2 3.27Å; V221-T225 WeakPolarHBondContact O-CG2 3.33Å; V221-T225 PolarHBondContact O-N 3.08Å; V221-T225 PolarHBondContact O-OG1 3.25Å; D222-T225 WeakPolarHBondContact CA-OG1 3.46Å; D222-T225 PolarHBondContact O-OG1 2.85Å; M223-T225 VanDerWaalsContact C-N 3.31Å; M223-T225 PolarHBondContact O-N 3.07Å; T225-Q227 WeakPolarHBondContact OG1-CG 3.45Å; T225-Q287 WeakPolarHBondContact CG2-O 3.45Å; T225-L288 HydrophobicContact CG2-CD2 4.45Å
226	G	94.9	Very high	93.8	Very high	20 Å²	20	32.3 Å²	32.3	21%	0.206	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	22.3	178.8	0	0	0	0	0	114.4	D222 M223 V224	D222-G226 PolarHBondContact O-N 3.44Å; M223-G226 PolarHBondContact O-N 3.17Å; V224-G226 VanDerWaalsContact C-N 3.28Å; V224-G226 PolarHBondContact O-N 3.25Å
227	Q	94.5	Very high	93.8	Very high	145 Å²	145	32.4 Å²	32.4	68%	0.678	18%	0.178	S	C	*	.			trans	-83.9	-24.1	177.8	-60.4	-59.3	-45.8	0	0	112.9	D222 T225	D222-Q227 HydrophobicContact CB-CB 4.07Å; D222-Q227 PolarHBondContact O-N 2.96Å; T225-Q227 WeakPolarHBondContact OG1-CG 3.45Å
228	L	92.1	Very high	93.9	Very high	49 Å²	49	32.6 Å²	32.6	26%	0.257	18%	0.181	S	C	.	.	S	Bend	trans	-108.9	160.8	175.1	74.7	79	0	0	0	112.2	L219 D222 M223	L219-L228 HydrophobicContact CB-CD2 4.45Å; L219-L228 HydrophobicContact CD2-CD2 4.11Å; L219-L228 VanDerWaalsContact O-CD2 3.27Å; L219-L228 WeakPolarHBondContact O-CD2 3.25Å; D222-L228 HydrophobicContact CB-CB 4.28Å; D222-L228 HydrophobicContact CB-CD2 3.81Å; D222-L228 HydrophobicContact CB-CG 4.22Å; D222-L228 PolarHBondContact O-N 3.19Å; M223-L228 HydrophobicContact CB-CD1 4.06Å; M223-L228 HydrophobicContact CB-CD2 3.93Å; M223-L228 HydrophobicContact CB-CG 4.01Å; M223-L228 HydrophobicContact CG-CD1 4.29Å
229	G	90.5	Very high	93.9	Very high	22 Å²	22	30.5 Å²	30.5	23%	0.227	17%	0.174	C	C	.	.	S	Bend	trans	83.9	171.5	175.6	0	0	0	0	0	114.1	E233 Q234	G229-E233 WeakPolarHBondContact CA-OE2 3.33Å; G229-Q234 PolarHBondContact O-NE2 3.46Å; G229-Q234 VanDerWaalsContact O-NE2 3.09Å
230	D	89.8	Confident	93.9	Very high	40 Å²	40	28.3 Å²	28.3	21%	0.214	16%	0.162	C	C	.	.			trans	-82.1	-177.9	177.9	79.6	4.9	0	0	0	113	L14 G232 E233 Q234	L14-D230 HydrophobicContact CD1-CB 3.99Å; L14-D230 HydrophobicContact CG-CB 4.21Å; D230-G232 PolarHBondContact O-N 3.23Å; D230-G232 VanDerWaalsContact O-N 3.14Å; D230-G232 WeakPolarHBondContact OD1-CA 3.43Å; D230-G232 PolarHBondContact OD1-N 2.95Å; D230-E233 PolarHBondContact N-OE2 3.25Å; D230-E233 PolarHBondContact O-N 3.4Å; D230-E233 VanDerWaalsContact O-N 3.16Å; D230-E233 PolarHBondContact OD1-N 2.99Å; D230-E233 VanDerWaalsContact OD1-N 3.14Å; D230-Q234 WeakPolarHBondContact O-CB 3.24Å; D230-Q234 VanDerWaalsContact O-CG 3.27Å; D230-Q234 WeakPolarHBondContact O-CG 3.25Å; D230-Q234 PolarHBondContact O-N 3.18Å
231	A	89.1	Confident	93.8	Very high	17 Å²	17	28.4 Å²	28.4	14%	0.14	16%	0.164	C	C	.	.	H	α-helix	trans	-58.9	-26	-179.5	0	0	0	0	0	113.7	P25 F27 S235	P25-A231 HydrophobicContact CG-CB 4.24Å; F27-A231 HydrophobicContact CE2-CB 4.46Å; F27-A231 HydrophobicContact CZ-CB 4.13Å; F27-A231 VanDerWaalsContact CZ-O 3.28Å; F27-A231 WeakPolarHBondContact CZ-O 3.24Å; A231-S235 WeakPolarHBondContact O-CB 3.44Å; A231-S235 PolarHBondContact O-N 3.35Å; A231-S235 VanDerWaalsContact O-N 3.15Å
232	G	88.3	Confident	93.8	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-71.1	-51.6	174.1	0	0	0	0	0	111.1	S6 D230 S235 G236	S6-G232 CarbonylContact O-C 3.51Å; S6-G232 VanDerWaalsContact O-CA 3.3Å; S6-G232 WeakPolarHBondContact O-CA 3.3Å; D230-G232 PolarHBondContact O-N 3.23Å; D230-G232 VanDerWaalsContact O-N 3.14Å; D230-G232 WeakPolarHBondContact OD1-CA 3.43Å; D230-G232 PolarHBondContact OD1-N 2.95Å; G232-S235 PolarHBondContact O-N 2.82Å; G232-G236 PolarHBondContact O-N 3.03Å
233	E	90.8	Very high	93.8	Very high	92 Å²	92	27.3 Å²	27.3	43%	0.43	16%	0.157	S	C	.	.	H	α-helix	trans	-62.6	-42.8	177.8	-68	-179.8	120.1	0	0	112.5	G229 D230 S235 G236 A237	G229-E233 WeakPolarHBondContact CA-OE2 3.33Å; D230-E233 PolarHBondContact N-OE2 3.25Å; D230-E233 PolarHBondContact O-N 3.4Å; D230-E233 VanDerWaalsContact O-N 3.16Å; D230-E233 PolarHBondContact OD1-N 2.99Å; D230-E233 VanDerWaalsContact OD1-N 3.14Å; E233-S235 PolarHBondContact O-N 3Å; E233-G236 CarbonylContact O-C 3.56Å; E233-G236 WeakPolarHBondContact O-CA 3.34Å; E233-G236 PolarHBondContact O-N 2.68Å; E233-G236 VanDerWaalsContact O-N 3.15Å; E233-A237 WeakPolarHBondContact O-CB 3.28Å; E233-A237 PolarHBondContact O-N 2.94Å
234	Q	92.7	Very high	93.9	Very high	43 Å²	43	26.6 Å²	26.6	20%	0.201	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-40.1	176.3	-68.6	172.2	-0.9	0	0	111.8	F27 G229 D230 G236 A237 A238	F27-Q234 HydrophobicContact CD2-CB 3.72Å; F27-Q234 HydrophobicContact CE2-CB 3.66Å; G229-Q234 PolarHBondContact O-NE2 3.46Å; G229-Q234 VanDerWaalsContact O-NE2 3.09Å; D230-Q234 WeakPolarHBondContact O-CB 3.24Å; D230-Q234 VanDerWaalsContact O-CG 3.27Å; D230-Q234 WeakPolarHBondContact O-CG 3.25Å; D230-Q234 PolarHBondContact O-N 3.18Å; Q234-G236 VanDerWaalsContact C-N 3.32Å; Q234-A237 PolarHBondContact O-N 3.49Å; Q234-A238 PolarHBondContact O-N 3.38Å
235	S	91.5	Very high	94	Very high	35 Å²	35	26.7 Å²	26.7	25%	0.245	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-36.8	173.2	-175.8	0	0	0	0	111.7	R9 A231 G232 E233	R9-S235 PolarHBondContact NH2-OG 3.45Å; A231-S235 WeakPolarHBondContact O-CB 3.44Å; A231-S235 PolarHBondContact O-N 3.35Å; A231-S235 VanDerWaalsContact O-N 3.15Å; G232-S235 PolarHBondContact O-N 2.82Å; E233-S235 PolarHBondContact O-N 3Å
236	G	92.3	Very high	94.1	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-50.8	171.9	0	0	0	0	0	111.3	F2 G232 E233 Q234 A238 S239	F2-G236 VanDerWaalsContact CE2-C 3.5Å; F2-G236 VanDerWaalsContact CE2-O 3.27Å; F2-G236 WeakPolarHBondContact CE2-O 3.48Å; G232-G236 PolarHBondContact O-N 3.03Å; E233-G236 CarbonylContact O-C 3.56Å; E233-G236 WeakPolarHBondContact O-CA 3.34Å; E233-G236 PolarHBondContact O-N 2.68Å; E233-G236 VanDerWaalsContact O-N 3.15Å; Q234-G236 VanDerWaalsContact C-N 3.32Å; G236-A238 PolarHBondContact O-N 3.35Å; G236-S239 WeakPolarHBondContact O-CA 3.41Å; G236-S239 VanDerWaalsContact O-CB 3.3Å; G236-S239 WeakPolarHBondContact O-CB 2.91Å; G236-S239 PolarHBondContact O-N 3.32Å; G236-S239 PolarHBondContact O-OG 2.85Å
237	A	94.6	Very high	94.3	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.017	14%	0.138	C	C	.	.	H	α-helix	trans	-58.4	-34.1	177.9	0	0	0	0	0	113	R29 M223 E233 Q234 S239 I240	R29-A237 PolarHBondContact NH1-O 3.44Å; M223-A237 WeakPolarHBondContact O-CB 2.97Å; M223-A237 HydrophobicContact SD-CB 4.41Å; E233-A237 WeakPolarHBondContact O-CB 3.28Å; E233-A237 PolarHBondContact O-N 2.94Å; Q234-A237 PolarHBondContact O-N 3.49Å; A237-S239 PolarHBondContact O-N 2.93Å; A237-I240 VanDerWaalsContact O-CB 3.25Å; A237-I240 WeakPolarHBondContact O-CB 3.37Å; A237-I240 WeakPolarHBondContact O-CG1 3.18Å; A237-I240 PolarHBondContact O-N 2.81Å
238	A	95.1	Very high	94.4	Very high	12 Å²	12	18.8 Å²	18.8	10%	0.099	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.3	174.1	0	0	0	0	0	113.5	F27 Q234 G236 I240	F27-A238 HydrophobicContact CB-CB 3.62Å; Q234-A238 PolarHBondContact O-N 3.38Å; G236-A238 PolarHBondContact O-N 3.35Å; A238-I240 VanDerWaalsContact C-N 3.29Å
239	S	95.3	Very high	94.6	Very high	24 Å²	24	16.4 Å²	16.4	17%	0.168	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.4	172.5	77.5	0	0	0	0	113.6	F197 G236 A237 S241	F197-S239 WeakPolarHBondContact CD2-OG 3.46Å; F197-S239 WeakPolarHBondContact CE2-OG 3.46Å; F197-S239 PolarHBondContact N-O 2.86Å; G236-S239 WeakPolarHBondContact O-CA 3.41Å; G236-S239 VanDerWaalsContact O-CB 3.3Å; G236-S239 WeakPolarHBondContact O-CB 2.91Å; G236-S239 PolarHBondContact O-N 3.32Å; G236-S239 PolarHBondContact O-OG 2.85Å; A237-S239 PolarHBondContact O-N 2.93Å; S239-S241 PolarHBondContact O-N 2.84Å
240	I	96.7	Very high	94.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	109.4	167.5	-54.4	172.5	0	0	0	107.7	F2 R29 F197 L199 M223 V224 A237 A238 L441	F2-I240 HydrophobicContact CE2-CD1 4.19Å; F2-I240 HydrophobicContact CE2-CG1 3.98Å; F2-I240 HydrophobicContact CZ-CD1 4.12Å; F2-I240 HydrophobicContact CZ-CG1 4.4Å; R29-I240 PolarHBondContact NH1-O 2.85Å; F197-I240 HydrophobicContact CB-CG1 4.4Å; L199-I240 HydrophobicContact CB-CG2 4Å; L199-I240 HydrophobicContact CD1-CD1 4.49Å; M223-I240 HydrophobicContact CE-CD1 4.14Å; M223-I240 HydrophobicContact SD-CD1 3.74Å; V224-I240 HydrophobicContact CG2-CD1 4.29Å; A237-I240 VanDerWaalsContact O-CB 3.25Å; A237-I240 WeakPolarHBondContact O-CB 3.37Å; A237-I240 WeakPolarHBondContact O-CG1 3.18Å; A237-I240 PolarHBondContact O-N 2.81Å; A238-I240 VanDerWaalsContact C-N 3.29Å; I240-L441 HydrophobicContact CD1-CD2 3.95Å; I240-L441 HydrophobicContact CG1-CD2 3.94Å
241	S	95.2	Very high	94.9	Very high	10 Å²	10	14.4 Å²	14.4	7%	0.07	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-20.4	-169.7	61.6	0	0	0	0	113.7	L32 F197 S239	L32-S241 WeakPolarHBondContact CD1-OG 3.33Å; F197-S241 PolarHBondContact O-N 3.01Å; F197-S241 PolarHBondContact O-OG 2.86Å; S239-S241 PolarHBondContact O-N 2.84Å
242	R	98	Very high	94.9	Very high	18 Å²	18	18.4 Å²	18.4	7%	0.068	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	146	-177.7	-175.1	167.5	-77.7	-87.6	-3.2	110.5	Y34 V198 L199 P293 D295	Y34-R242 VanDerWaalsContact CE2-CZ 3.44Å; Y34-R242 VanDerWaalsContact CG-NH2 3.32Å; V198-R242 WeakPolarHBondContact CA-O 3.44Å; V198-R242 HydrophobicContact CG2-CB 4.47Å; L199-R242 PolarHBondContact N-O 2.75Å; R242-P293 WeakPolarHBondContact CA-O 3.47Å; R242-D295 WeakPolarHBondContact CD-OD2 3.45Å; R242-D295 IonicContact CZ-OD2 3.98Å; R242-D295 IonicContact NE-OD2 3.25Å; R242-D295 IonicContact NH1-OD1 2.93Å; R242-D295 PolarHBondContact NH1-OD1 2.74Å; R242-D295 IonicContact NH1-OD2 3.82Å; R242-D295 PolarHBondContact NH1-OD2 2.81Å
243	V	98.8	Very high	94.8	Very high	2 Å²	2	22 Å²	22	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.3	172.8	177.2	0	0	0	0	108.9	L199 V224 L245 V292 P293 V294 D295	L199-V243 HydrophobicContact CB-CG2 4.29Å; L199-V243 HydrophobicContact CD2-CG1 3.89Å; L199-V243 CarbonylContact O-C 3.5Å; L199-V243 WeakPolarHBondContact O-CA 3.36Å; V224-V243 HydrophobicContact CG1-CG2 3.87Å; V243-L245 HydrophobicContact CG1-CD2 3.84Å; V243-L245 HydrophobicContact CG1-CG 4.24Å; V243-V292 HydrophobicContact CG2-CG1 3.68Å; V243-V292 HydrophobicContact CG2-CG2 4.49Å; V243-P293 PolarHBondContact N-O 2.82Å; V243-V294 HydrophobicContact CB-CG1 4.36Å; V243-V294 HydrophobicContact CB-CG2 4.3Å; V243-V294 HydrophobicContact CG1-CG1 4.33Å; V243-V294 CarbonylContact O-C 3.57Å; V243-V294 WeakPolarHBondContact O-CA 3.37Å; V243-D295 PolarHBondContact O-N 2.81Å
244	L	98.8	Very high	94.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.5	174.4	-179.6	63.2	0	0	0	109.5	L199 L200 A201 D295 M297 Y334 F405	L199-L244 PolarHBondContact O-N 2.8Å; L200-L244 HydrophobicContact CD2-CB 3.77Å; L200-L244 HydrophobicContact CD2-CD2 3.73Å; L200-L244 HydrophobicContact CD2-CG 4.23Å; A201-L244 PolarHBondContact N-O 2.96Å; L244-D295 WeakPolarHBondContact CA-O 3.23Å; L244-D295 HydrophobicContact CD1-CB 3.46Å; L244-D295 VanDerWaalsContact CD1-CB 3.46Å; L244-M297 HydrophobicContact CD1-CG 4.07Å; L244-M297 HydrophobicContact CD1-SD 3.95Å; L244-M297 HydrophobicContact CD2-SD 4.43Å; L244-M297 HydrophobicContact CG-SD 4.33Å; L244-Y334 HydrophobicContact CD1-CD1 4.15Å; L244-Y334 HydrophobicContact CD1-CE1 3.96Å; L244-Y334 HydrophobicContact CD1-CE2 4.46Å; L244-Y334 HydrophobicContact CD1-CG 4.43Å; L244-Y334 HydrophobicContact CD2-CD1 3.8Å; L244-Y334 HydrophobicContact CD2-CE1 3.63Å; L244-Y334 HydrophobicContact CG-CE1 4.49Å; L244-F405 HydrophobicContact CD2-CE1 3.62Å; L244-F405 HydrophobicContact CD2-CE2 4.04Å; L244-F405 HydrophobicContact CD2-CZ 3.31Å; L244-F405 HydrophobicContact CG-CZ 4.42Å
245	L	98.9	Very high	93.9	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	102.8	176.4	-56.1	-178	0	0	0	109.5	A201 L204 V243 G247 L249 L285 V294 D295 V296 M297	A201-L245 HydrophobicContact CB-CD2 3.96Å; A201-L245 CarbonylContact O-C 3.6Å; A201-L245 WeakPolarHBondContact O-CA 3.06Å; L204-L245 HydrophobicContact CD1-CD1 4.27Å; V243-L245 HydrophobicContact CG1-CD2 3.84Å; V243-L245 HydrophobicContact CG1-CG 4.24Å; L245-G247 VanDerWaalsContact C-N 3.34Å; L245-G247 PolarHBondContact O-N 3.36Å; L245-G247 VanDerWaalsContact O-N 3.13Å; L245-L249 HydrophobicContact CB-CD2 3.79Å; L245-L249 HydrophobicContact CD1-CD2 4.34Å; L245-L285 HydrophobicContact CD1-CD2 3.75Å; L245-V294 HydrophobicContact CD1-CG1 4.13Å; L245-V294 HydrophobicContact CG-CG1 4.2Å; L245-D295 PolarHBondContact N-O 3.4Å; L245-V296 HydrophobicContact CD1-CG2 4.38Å; L245-M297 WeakPolarHBondContact O-CB 3.45Å; L245-M297 PolarHBondContact O-N 3.49Å
246	A	98.6	Very high	92.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	55.2	-169.7	0	0	0	0	0	113.9	A201 M297 S347 F405 N408	A201-A246 PolarHBondContact O-N 3.24Å; A246-M297 HydrophobicContact CB-SD 3.98Å; A246-S347 WeakPolarHBondContact O-CA 3.32Å; A246-S347 WeakPolarHBondContact O-CB 3.4Å; A246-S347 PolarHBondContact O-OG 3.06Å; A246-S347 VanDerWaalsContact O-OG 3.13Å; A246-F405 HydrophobicContact CB-CD2 4.49Å; A246-F405 HydrophobicContact CB-CE2 3.87Å; A246-N408 PolarHBondContact O-ND2 3.02Å
247	G	97.9	Very high	90.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	71.3	173.2	170.4	0	0	0	0	0	116.2	G203 L245 L249 M297 S347 N408	G203-G247 PolarHBondContact N-O 2.96Å; L245-G247 VanDerWaalsContact C-N 3.34Å; L245-G247 PolarHBondContact O-N 3.36Å; L245-G247 VanDerWaalsContact O-N 3.13Å; G247-L249 VanDerWaalsContact C-N 3.29Å; G247-M297 WeakPolarHBondContact CA-O 3.18Å; G247-M297 PolarHBondContact N-O 2.93Å; G247-S347 WeakPolarHBondContact CA-OG 3.45Å; G247-N408 PolarHBondContact O-ND2 2.91Å; G247-N408 PolarHBondContact O-OD1 3.14Å
248	N	97.2	Very high	88.6	Confident	19 Å²	19	33.1 Å²	33.1	10%	0.102	17%	0.174	C	C	.	.			trans	55.6	47.2	-166.9	-62.8	-5.1	0	0	0	110.8	G203 L204 G205 Q300 D302 N408	G203-N248 CarbonylContact C-O 3.37Å; G203-N248 VanDerWaalsContact CA-O 3.23Å; G203-N248 WeakPolarHBondContact CA-O 3.24Å; L204-N248 PolarHBondContact N-O 2.83Å; G205-N248 PolarHBondContact N-O 3.1Å; N248-Q300 PolarHBondContact OD1-N 3Å; N248-D302 PolarHBondContact N-OD2 3.28Å; N248-N408 WeakPolarHBondContact CB-OD1 3.24Å; N248-N408 PolarHBondContact ND2-ND2 3.21Å; N248-N408 PolarHBondContact ND2-OD1 2.68Å
249	L	97.1	Very high	86.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.			trans	-65.9	-36.7	175.2	-49.8	171.2	0	0	0	109.3	L204 G205 L206 L245 G247 L281 V296 D302 L313	L204-L249 HydrophobicContact CD1-CD2 4.08Å; L204-L249 HydrophobicContact CG-CD2 4.25Å; G205-L249 PolarHBondContact N-O 3.3Å; L206-L249 WeakPolarHBondContact CB-O 3.46Å; L206-L249 PolarHBondContact N-O 3.27Å; L245-L249 HydrophobicContact CB-CD2 3.79Å; L245-L249 HydrophobicContact CD1-CD2 4.34Å; G247-L249 VanDerWaalsContact C-N 3.29Å; L249-L281 HydrophobicContact CB-CD1 4.2Å; L249-L281 HydrophobicContact CB-CD2 3.78Å; L249-L281 HydrophobicContact CD1-CD1 4.45Å; L249-L281 HydrophobicContact CD1-CD2 3.72Å; L249-L281 HydrophobicContact CG-CD2 4.37Å; L249-V296 HydrophobicContact CD1-CG1 3.28Å; L249-V296 HydrophobicContact CG-CG1 4.49Å; L249-D302 PolarHBondContact N-OD1 3.45Å; L249-D302 PolarHBondContact N-OD2 3.22Å; L249-L313 HydrophobicContact CD1-CD1 3.91Å
250	L	94.8	Very high	84.3	Confident	2 Å²	2	39 Å²	39	1%	0.01	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-97.3	147.5	173.9	-76.6	62.2	0	0	0	110.9	T254 A277 I278 L281 D302	L250-T254 HydrophobicContact CB-CG2 4.28Å; L250-A277 HydrophobicContact CD2-CB 4.33Å; L250-A277 HydrophobicContact CG-CB 3.99Å; L250-I278 HydrophobicContact CD1-CD1 3.73Å; L250-I278 HydrophobicContact CD1-CG1 4.49Å; L250-I278 HydrophobicContact CD2-CD1 3.99Å; L250-I278 HydrophobicContact CD2-CG1 4.04Å; L250-I278 HydrophobicContact CG-CD1 4.44Å; L250-L281 HydrophobicContact CD1-CD2 3.89Å; L250-D302 PolarHBondContact N-OD1 3.02Å
251	S	91.9	Very high	82.1	Confident	17 Å²	17	44.3 Å²	44.3	12%	0.119	25%	0.251	C	S	.	.			trans	-71.2	151.9	172.9	174.5	0	0	0	0	111.7	G205 L206 S253 T254	G205-S251 WeakPolarHBondContact O-CB 3.38Å; L206-S251 PolarHBondContact O-N 2.78Å; S251-S253 PolarHBondContact O-N 3.15Å; S251-S253 VanDerWaalsContact O-N 3.12Å; S251-S253 PolarHBondContact OG-N 3.21Å; S251-S253 VanDerWaalsContact OG-N 3.08Å; S251-S253 PolarHBondContact OG-OG 2.96Å; S251-T254 WeakPolarHBondContact O-CB 3.37Å; S251-T254 WeakPolarHBondContact O-CG2 3.32Å; S251-T254 PolarHBondContact O-N 2.86Å; S251-T254 PolarHBondContact O-OG1 3.29Å
252	Q	88.6	Confident	80	Confident	102 Å²	102	48.8 Å²	48.8	48%	0.477	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-52.2	-30.4	166.3	-172.6	176.7	33.5	0	0	112.7	T254 Q255 Y301	Q252-T254 PolarHBondContact O-N 3Å; Q252-T254 VanDerWaalsContact O-N 3.17Å; Q252-Q255 VanDerWaalsContact O-CB 3.3Å; Q252-Q255 WeakPolarHBondContact O-CB 3.39Å; Q252-Q255 PolarHBondContact O-N 3.24Å; Q252-Y301 HydrophobicContact CB-CD1 3.97Å; Q252-Y301 HydrophobicContact CB-CD2 4.03Å; Q252-Y301 HydrophobicContact CB-CE1 3.77Å; Q252-Y301 HydrophobicContact CB-CE2 3.83Å; Q252-Y301 HydrophobicContact CB-CG 4.09Å; Q252-Y301 HydrophobicContact CG-CD1 3.99Å; Q252-Y301 HydrophobicContact CG-CE1 3.53Å; Q252-Y301 HydrophobicContact CG-CE2 4.44Å
253	S	86.8	Confident	78.1	Confident	76 Å²	76	50 Å²	50	53%	0.531	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-60.8	-22.1	177.4	-53	0	0	0	0	113.6	S251 Q255	S251-S253 PolarHBondContact O-N 3.15Å; S251-S253 VanDerWaalsContact O-N 3.12Å; S251-S253 PolarHBondContact OG-N 3.21Å; S251-S253 VanDerWaalsContact OG-N 3.08Å; S251-S253 PolarHBondContact OG-OG 2.96Å; S253-Q255 VanDerWaalsContact C-N 3.26Å
254	T	84.6	Confident	76.1	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.025	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-77.8	-13.5	177.2	68.9	0	0	0	0	113	L206 L250 S251 Q252 D256 A277	L206-T254 WeakPolarHBondContact O-CG2 3.14Å; L250-T254 HydrophobicContact CB-CG2 4.28Å; S251-T254 WeakPolarHBondContact O-CB 3.37Å; S251-T254 WeakPolarHBondContact O-CG2 3.32Å; S251-T254 PolarHBondContact O-N 2.86Å; S251-T254 PolarHBondContact O-OG1 3.29Å; Q252-T254 PolarHBondContact O-N 3Å; Q252-T254 VanDerWaalsContact O-N 3.17Å; T254-D256 PolarHBondContact O-N 2.89Å; T254-A277 HydrophobicContact CG2-CB 3.8Å
255	Q	78.9	Confident	74.4	Confident	87 Å²	87	67.2 Å²	67.2	41%	0.407	35%	0.354	S	S	.	.	S	Bend	trans	-81.1	96.2	174.3	-59	-67.1	-46.1	0	0	107.9	Q252 S253 K257 Y301	Q252-Q255 VanDerWaalsContact O-CB 3.3Å; Q252-Q255 WeakPolarHBondContact O-CB 3.39Å; Q252-Q255 PolarHBondContact O-N 3.24Å; S253-Q255 VanDerWaalsContact C-N 3.26Å; Q255-K257 PolarHBondContact O-N 2.8Å; Q255-Y301 HydrophobicContact CG-CD1 4.11Å; Q255-Y301 PolarHBondContact NE2-O 3.39Å
256	D	65.1	Low	72.4	Confident	74 Å²	74	72.4 Å²	72.4	40%	0.396	38%	0.38	S	S	.	.			trans	-59.3	90.7	-179.6	-85.6	-34.6	0	0	0	111.5	T254 D258 A259	T254-D256 PolarHBondContact O-N 2.89Å; D256-D258 PolarHBondContact O-N 3.45Å; D256-A259 HydrophobicContact CB-CB 3.71Å; D256-A259 PolarHBondContact O-N 3.47Å
257	K	54.7	Low	70.5	Confident	155 Å²	155	74.3 Å²	74.3	67%	0.674	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.3	172.5	-73.4	-174.5	178.1	178.3	0	112.3	Q255 S260 T261	Q255-K257 PolarHBondContact O-N 2.8Å; K257-S260 PolarHBondContact O-OG 2.88Å; K257-T261 PolarHBondContact O-OG1 2.94Å
258	D	48.3	Very low	68.6	Low	88 Å²	88	83 Å²	83	47%	0.471	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-23.9	-179.6	-87.2	6	0	0	0	113.7	D256 S260 T261 K262	D256-D258 PolarHBondContact O-N 3.45Å; D258-S260 VanDerWaalsContact C-N 3.28Å; D258-S260 PolarHBondContact O-N 3.22Å; D258-T261 PolarHBondContact O-N 3.5Å; D258-K262 HydrophobicContact CB-CD 4.3Å; D258-K262 WeakPolarHBondContact O-CB 3.42Å; D258-K262 PolarHBondContact O-N 3.09Å; D258-K262 IonicContact OD2-NZ 2.81Å; D258-K262 PolarHBondContact OD2-NZ 3.1Å
259	A	50.8	Low	66.5	Low	52 Å²	52	92.1 Å²	92.1	43%	0.43	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-22.9	-179.4	0	0	0	0	0	112.8	D256	D256-A259 HydrophobicContact CB-CB 3.71Å; D256-A259 PolarHBondContact O-N 3.47Å
260	S	49	Very low	64.5	Low	107 Å²	107	96.7 Å²	96.7	75%	0.748	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-23.5	171.7	44.1	0	0	0	0	113.7	K257 D258	K257-S260 PolarHBondContact O-OG 2.88Å; D258-S260 VanDerWaalsContact C-N 3.28Å; D258-S260 PolarHBondContact O-N 3.22Å
261	T	49.6	Very low	62.9	Low	113 Å²	113	102.9 Å²	102.9	69%	0.693	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-23.8	-171	-7.2	0	0	0	0	113.3	K257 D258	K257-T261 PolarHBondContact O-OG1 2.94Å; D258-T261 PolarHBondContact O-N 3.5Å
262	K	52.3	Low	61.8	Low	104 Å²	104	103.3 Å²	103.3	45%	0.452	53%	0.53	S	S	.	.	S	Bend	trans	-101.6	141.5	179.7	-68.4	173.5	-179.3	162.9	0	111.3	D258 K264 T267	D258-K262 HydrophobicContact CB-CD 4.3Å; D258-K262 WeakPolarHBondContact O-CB 3.42Å; D258-K262 PolarHBondContact O-N 3.09Å; D258-K262 IonicContact OD2-NZ 2.81Å; D258-K262 PolarHBondContact OD2-NZ 3.1Å; K262-K264 PolarHBondContact O-N 2.77Å; K262-T267 HydrophobicContact CB-CG2 4.11Å
263	A	56.4	Low	61	Low	43 Å²	43	100.1 Å²	100.1	36%	0.355	53%	0.525	S	S	.	.			trans	-61.2	136.5	178.8	0	0	0	0	0	111.7	Y265 L266	A263-Y265 HydrophobicContact CB-CD1 3.67Å; A263-Y265 HydrophobicContact CB-CE1 3.2Å; A263-Y265 PolarHBondContact O-N 3Å; A263-L266 HydrophobicContact CB-CD1 4.46Å; A263-L266 WeakPolarHBondContact O-CB 3.03Å; A263-L266 PolarHBondContact O-N 2.83Å
264	K	57.8	Low	60.8	Low	187 Å²	187	98.3 Å²	98.3	81%	0.813	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-22.1	-173.1	-69.6	-178.3	177.7	178.8	0	115.7	K262 T267	K262-K264 PolarHBondContact O-N 2.77Å; K264-T267 PolarHBondContact O-OG1 3.31Å
265	Y	62.8	Low	60.9	Low	178 Å²	178	102 Å²	102	70%	0.698	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.5	177.7	63.5	-93.4	0	0	0	113.4	A263	A263-Y265 HydrophobicContact CB-CD1 3.67Å; A263-Y265 HydrophobicContact CB-CE1 3.2Å; A263-Y265 PolarHBondContact O-N 3Å
266	L	57.4	Low	61.4	Low	111 Å²	111	101.3 Å²	101.3	58%	0.581	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-23.5	177.9	-72.6	159.2	0	0	0	112.8	A263	A263-L266 HydrophobicContact CB-CD1 4.46Å; A263-L266 WeakPolarHBondContact O-CB 3.03Å; A263-L266 PolarHBondContact O-N 2.83Å
267	T	58.7	Low	62.7	Low	41 Å²	41	97.8 Å²	97.8	25%	0.252	51%	0.513	S	S	.	.	S	Bend	trans	-97.6	-1.7	-178.6	52.4	0	0	0	0	113.4	K262 K264 K269 T270	K262-T267 HydrophobicContact CB-CG2 4.11Å; K264-T267 PolarHBondContact O-OG1 3.31Å; T267-K269 PolarHBondContact O-N 2.87Å; T267-K269 VanDerWaalsContact O-N 3.07Å; T267-T270 PolarHBondContact O-N 3.13Å; T267-T270 VanDerWaalsContact O-N 3.08Å
268	K	56.9	Low	64.6	Low	184 Å²	184	91.2 Å²	91.2	80%	0.8	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.8	-173.9	-157.8	176.4	-177.4	-178.9	0	114.8
269	K	53.2	Low	66.8	Low	210 Å²	210	92 Å²	92	91%	0.913	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-4	178.2	-69	-172.9	177.8	-177.4	0	113.7	T267	T267-K269 PolarHBondContact O-N 2.87Å; T267-K269 VanDerWaalsContact O-N 3.07Å
270	T	56.5	Low	68.9	Low	95 Å²	95	91.7 Å²	91.7	58%	0.583	47%	0.472	S	S	*	.	S	Bend	trans	-89.5	115.6	179.7	-49.7	0	0	0	0	108	T267 A272	T267-T270 PolarHBondContact O-N 3.13Å; T267-T270 VanDerWaalsContact O-N 3.08Å; T270-A272 PolarHBondContact O-N 2.99Å
271	Q	60.5	Low	71.2	Confident	132 Å²	132	86.6 Å²	86.6	62%	0.617	44%	0.436	S	S	*	.			trans	-65.3	122.2	170.6	-173.5	177.9	-2.4	0	0	107.7	G273 V275	Q271-G273 PolarHBondContact O-N 3.14Å; Q271-V275 HydrophobicContact CG-CB 4.29Å
272	A	68.2	Low	73.5	Confident	26 Å²	26	81.4 Å²	81.4	22%	0.215	41%	0.405	C	S	.	.			trans	-61.5	132.7	177.3	0	0	0	0	0	108.9	T270 S274 V275	T270-A272 PolarHBondContact O-N 2.99Å; A272-S274 WeakPolarHBondContact CB-OG 3.26Å; A272-S274 PolarHBondContact O-N 3.26Å; A272-V275 HydrophobicContact CB-CG2 4.33Å; A272-V275 PolarHBondContact O-N 3.25Å
273	G	73.4	Confident	75.7	Confident	36 Å²	36	79.9 Å²	79.9	37%	0.371	40%	0.399	S	S	.	.	H	α-helix	trans	-56.8	-23.1	179.1	0	0	0	0	0	113	Q271 V275 A277	Q271-G273 PolarHBondContact O-N 3.14Å; G273-V275 PolarHBondContact O-N 2.68Å; G273-A277 PolarHBondContact O-N 3.14Å
274	S	81.5	Confident	77.7	Confident	38 Å²	38	78.6 Å²	78.6	27%	0.266	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-30.5	173.4	57.4	0	0	0	0	114.5	A272 I278	A272-S274 WeakPolarHBondContact CB-OG 3.26Å; A272-S274 PolarHBondContact O-N 3.26Å; S274-I278 WeakPolarHBondContact O-CB 3.39Å; S274-I278 VanDerWaalsContact O-CG1 3.26Å; S274-I278 WeakPolarHBondContact O-CG1 3.37Å; S274-I278 PolarHBondContact O-N 2.88Å
275	V	87.3	Confident	79.6	Confident	82 Å²	82	69.7 Å²	69.7	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-66.6	-46.8	-179.4	175.7	0	0	0	0	110.5	Q271 A272 G273 I278 R279	Q271-V275 HydrophobicContact CG-CB 4.29Å; A272-V275 HydrophobicContact CB-CG2 4.33Å; A272-V275 PolarHBondContact O-N 3.25Å; G273-V275 PolarHBondContact O-N 2.68Å; V275-I278 PolarHBondContact O-N 3.31Å; V275-R279 PolarHBondContact O-N 3.2Å
276	E	88.3	Confident	81.3	Confident	71 Å²	71	63.8 Å²	63.8	33%	0.332	33%	0.327	S	S	.	.	H	α-helix	trans	-68.7	-40.7	179.6	-177	57.8	-162.8	0	0	111.4	I278 R279 L280	E276-I278 VanDerWaalsContact C-N 3.3Å; E276-I278 PolarHBondContact O-N 3.37Å; E276-R279 WeakPolarHBondContact O-CB 3.42Å; E276-R279 PolarHBondContact O-N 3.3Å; E276-R279 IonicContact OE1-CZ 3.89Å; E276-R279 VanDerWaalsContact OE1-CZ 3.29Å; E276-R279 IonicContact OE1-NE 2.73Å; E276-R279 PolarHBondContact OE1-NE 3.26Å; E276-R279 IonicContact OE1-NH2 2.82Å; E276-R279 PolarHBondContact OE1-NH2 3.3Å; E276-R279 IonicContact OE2-CZ 2.63Å; E276-R279 IonicContact OE2-NE 2.96Å; E276-R279 PolarHBondContact OE2-NE 2.95Å; E276-R279 IonicContact OE2-NH2 3.23Å; E276-L280 WeakPolarHBondContact O-CG 3.41Å; E276-L280 PolarHBondContact O-N 2.82Å
277	A	92.1	Very high	83.2	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-38	175.5	0	0	0	0	0	112.5	L206 L250 T254 G273 L281	L206-A277 HydrophobicContact CB-CB 4.24Å; L250-A277 HydrophobicContact CD2-CB 4.33Å; L250-A277 HydrophobicContact CG-CB 3.99Å; T254-A277 HydrophobicContact CG2-CB 3.8Å; G273-A277 PolarHBondContact O-N 3.14Å; A277-L281 WeakPolarHBondContact O-CB 3.32Å; A277-L281 PolarHBondContact O-N 2.6Å
278	I	95	Very high	85.1	Confident	17 Å²	17	60.4 Å²	60.4	9%	0.087	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-39.1	174.7	-72.7	-67	0	0	0	112.1	L250 S274 V275 E276 L281 D282 P303 M317 F318	L250-I278 HydrophobicContact CD1-CD1 3.73Å; L250-I278 HydrophobicContact CD1-CG1 4.49Å; L250-I278 HydrophobicContact CD2-CD1 3.99Å; L250-I278 HydrophobicContact CD2-CG1 4.04Å; L250-I278 HydrophobicContact CG-CD1 4.44Å; S274-I278 WeakPolarHBondContact O-CB 3.39Å; S274-I278 VanDerWaalsContact O-CG1 3.26Å; S274-I278 WeakPolarHBondContact O-CG1 3.37Å; S274-I278 PolarHBondContact O-N 2.88Å; V275-I278 PolarHBondContact O-N 3.31Å; E276-I278 VanDerWaalsContact C-N 3.3Å; E276-I278 PolarHBondContact O-N 3.37Å; I278-L281 HydrophobicContact CD1-CD2 4.22Å; I278-L281 WeakPolarHBondContact O-CB 3.45Å; I278-L281 PolarHBondContact O-N 3.2Å; I278-D282 PolarHBondContact O-N 3.28Å; I278-P303 HydrophobicContact CD1-CG 4.25Å; I278-M317 HydrophobicContact CD1-CE 3.31Å; I278-M317 HydrophobicContact CG1-CE 3.59Å; I278-M317 HydrophobicContact CG2-CB 4.04Å; I278-M317 HydrophobicContact CG2-CE 4.19Å; I278-M317 WeakPolarHBondContact CG2-O 3.32Å; I278-F318 HydrophobicContact CD1-CE1 4.49Å
279	R	95.2	Very high	87.1	Confident	103 Å²	103	51.7 Å²	51.7	39%	0.389	27%	0.268	S	S	.	.	H	α-helix	trans	-58.7	-49.1	174.9	-172.7	-170.9	71.2	75.3	4.3	110.8	V275 E276 L281 D282 E283	V275-R279 PolarHBondContact O-N 3.2Å; E276-R279 WeakPolarHBondContact O-CB 3.42Å; E276-R279 PolarHBondContact O-N 3.3Å; E276-R279 IonicContact OE1-CZ 3.89Å; E276-R279 VanDerWaalsContact OE1-CZ 3.29Å; E276-R279 IonicContact OE1-NE 2.73Å; E276-R279 PolarHBondContact OE1-NE 3.26Å; E276-R279 IonicContact OE1-NH2 2.82Å; E276-R279 PolarHBondContact OE1-NH2 3.3Å; E276-R279 IonicContact OE2-CZ 2.63Å; E276-R279 IonicContact OE2-NE 2.96Å; E276-R279 PolarHBondContact OE2-NE 2.95Å; E276-R279 IonicContact OE2-NH2 3.23Å; R279-L281 VanDerWaalsContact C-N 3.32Å; R279-L281 PolarHBondContact O-N 2.93Å; R279-D282 PolarHBondContact O-N 2.89Å; R279-E283 IonicContact CZ-OE1 3.69Å; R279-E283 IonicContact CZ-OE2 3.83Å; R279-E283 IonicContact NH1-OE1 2.71Å; R279-E283 PolarHBondContact NH1-OE1 3.41Å; R279-E283 IonicContact NH1-OE2 2.92Å; R279-E283 PolarHBondContact NH1-OE2 2.99Å; R279-E283 WeakPolarHBondContact O-CG 3.47Å; R279-E283 PolarHBondContact O-N 2.79Å
280	L	94.8	Very high	89.2	Confident	46 Å²	46	44.7 Å²	44.7	24%	0.241	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-39.6	176.7	-67.3	173.6	0	0	0	112.1	M214 E276 E283 L284	M214-L280 HydrophobicContact CE-CD1 4.36Å; E276-L280 WeakPolarHBondContact O-CG 3.41Å; E276-L280 PolarHBondContact O-N 2.82Å; L280-E283 PolarHBondContact O-N 3.3Å; L280-L284 WeakPolarHBondContact O-CB 3.49Å; L280-L284 PolarHBondContact O-N 3.39Å
281	L	97.3	Very high	91.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-44.2	175.2	-179.4	58.8	0	0	0	111.6	L204 L206 L249 L250 A277 I278 R279 E283 L284 L285 F318	L204-L281 HydrophobicContact CD1-CD1 4.26Å; L206-L281 HydrophobicContact CD1-CB 3.58Å; L206-L281 HydrophobicContact CD1-CD1 3.87Å; L206-L281 HydrophobicContact CD1-CG 4.27Å; L249-L281 HydrophobicContact CB-CD1 4.2Å; L249-L281 HydrophobicContact CB-CD2 3.78Å; L249-L281 HydrophobicContact CD1-CD1 4.45Å; L249-L281 HydrophobicContact CD1-CD2 3.72Å; L249-L281 HydrophobicContact CG-CD2 4.37Å; L250-L281 HydrophobicContact CD1-CD2 3.89Å; A277-L281 WeakPolarHBondContact O-CB 3.32Å; A277-L281 PolarHBondContact O-N 2.6Å; I278-L281 HydrophobicContact CD1-CD2 4.22Å; I278-L281 WeakPolarHBondContact O-CB 3.45Å; I278-L281 PolarHBondContact O-N 3.2Å; R279-L281 VanDerWaalsContact C-N 3.32Å; R279-L281 PolarHBondContact O-N 2.93Å; L281-E283 VanDerWaalsContact C-N 3.34Å; L281-E283 PolarHBondContact O-N 2.9Å; L281-L284 PolarHBondContact O-N 2.72Å; L281-L285 HydrophobicContact CD1-CD1 4.17Å; L281-L285 HydrophobicContact CD1-CG 4.09Å; L281-L285 HydrophobicContact CG-CD1 3.96Å; L281-L285 HydrophobicContact CG-CG 4.32Å; L281-L285 WeakPolarHBondContact O-CB 3.49Å; L281-L285 VanDerWaalsContact O-CG 3.23Å; L281-L285 WeakPolarHBondContact O-CG 3.36Å; L281-L285 PolarHBondContact O-N 3.04Å; L281-F318 HydrophobicContact CD2-CE1 3.72Å; L281-F318 HydrophobicContact CD2-CZ 4.04Å; L281-F318 HydrophobicContact CG-CE1 3.97Å
282	D	98.4	Very high	92.8	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.027	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-38.4	178.7	-166.8	31.6	0	0	0	112.1	I278 R279 L285 L286 F318 P319 L320 S321	I278-D282 PolarHBondContact O-N 3.28Å; R279-D282 PolarHBondContact O-N 2.89Å; D282-L285 PolarHBondContact O-N 2.99Å; D282-L286 WeakPolarHBondContact O-CB 3.47Å; D282-L286 PolarHBondContact O-N 3.06Å; D282-F318 HydrophobicContact CB-CD1 4.03Å; D282-F318 VanDerWaalsContact CG-CA 3.44Å; D282-F318 VanDerWaalsContact OD1-CA 3.27Å; D282-F318 WeakPolarHBondContact OD1-CA 3.46Å; D282-F318 WeakPolarHBondContact OD1-CB 3.39Å; D282-F318 VanDerWaalsContact OD2-C 3.31Å; D282-P319 WeakPolarHBondContact OD2-CD 3.05Å; D282-P319 WeakPolarHBondContact OD2-CG 3.44Å; D282-P319 VanDerWaalsContact OD2-N 3.14Å; D282-L320 VanDerWaalsContact OD2-CB 3.28Å; D282-L320 WeakPolarHBondContact OD2-CB 3.5Å; D282-L320 WeakPolarHBondContact OD2-CG 3.45Å; D282-L320 PolarHBondContact OD2-N 2.93Å; D282-S321 VanDerWaalsContact OD1-CB 3.31Å; D282-S321 WeakPolarHBondContact OD1-CB 3.3Å; D282-S321 PolarHBondContact OD1-N 2.8Å; D282-S321 PolarHBondContact OD1-OG 3Å
283	E	97.8	Very high	94.3	Very high	71 Å²	71	36.5 Å²	36.5	33%	0.332	21%	0.208	S	C	.	.	H	α-helix	trans	-65.8	-39.2	175	-73.9	174.7	178.3	0	0	112.8	R279 L280 L281 Q287 L320	R279-E283 IonicContact CZ-OE1 3.69Å; R279-E283 IonicContact CZ-OE2 3.83Å; R279-E283 IonicContact NH1-OE1 2.71Å; R279-E283 PolarHBondContact NH1-OE1 3.41Å; R279-E283 IonicContact NH1-OE2 2.92Å; R279-E283 PolarHBondContact NH1-OE2 2.99Å; R279-E283 WeakPolarHBondContact O-CG 3.47Å; R279-E283 PolarHBondContact O-N 2.79Å; L280-E283 PolarHBondContact O-N 3.3Å; L281-E283 VanDerWaalsContact C-N 3.34Å; L281-E283 PolarHBondContact O-N 2.9Å; E283-Q287 PolarHBondContact O-N 3.03Å; E283-L320 HydrophobicContact CG-CD1 3.87Å
284	L	97.6	Very high	95.5	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-67.6	-47	173.6	-178.5	151.3	0	0	0	111.3	L217 V221 L280 L281 L286 Q287 L288	L217-L284 HydrophobicContact CD1-CD1 3.72Å; L217-L284 HydrophobicContact CD2-CD1 3.37Å; L217-L284 HydrophobicContact CG-CD1 3.38Å; V221-L284 HydrophobicContact CG2-CD1 4.02Å; V221-L284 HydrophobicContact CG2-CD2 4.23Å; V221-L284 HydrophobicContact CG2-CG 3.8Å; L280-L284 WeakPolarHBondContact O-CB 3.49Å; L280-L284 PolarHBondContact O-N 3.39Å; L281-L284 PolarHBondContact O-N 2.72Å; L284-L286 VanDerWaalsContact C-N 3.26Å; L284-L286 PolarHBondContact O-N 2.75Å; L284-Q287 PolarHBondContact O-N 3.11Å; L284-L288 HydrophobicContact CD2-CD1 3.64Å; L284-L288 HydrophobicContact CD2-CG 4.35Å; L284-L288 PolarHBondContact O-N 3.25Å
285	L	98.5	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-40.5	178.5	-75	174.6	0	0	0	110.6	L245 L281 D282 Q287 L288 V289 V294 V296 F318 L327	L245-L285 HydrophobicContact CD1-CD2 3.75Å; L281-L285 HydrophobicContact CD1-CD1 4.17Å; L281-L285 HydrophobicContact CD1-CG 4.09Å; L281-L285 HydrophobicContact CG-CD1 3.96Å; L281-L285 HydrophobicContact CG-CG 4.32Å; L281-L285 WeakPolarHBondContact O-CB 3.49Å; L281-L285 VanDerWaalsContact O-CG 3.23Å; L281-L285 WeakPolarHBondContact O-CG 3.36Å; L281-L285 PolarHBondContact O-N 3.04Å; D282-L285 PolarHBondContact O-N 2.99Å; L285-Q287 VanDerWaalsContact C-N 3.29Å; L285-Q287 PolarHBondContact O-N 3.22Å; L285-L288 PolarHBondContact O-N 3.35Å; L285-L288 VanDerWaalsContact O-N 3.15Å; L285-V289 VanDerWaalsContact O-CG1 3.27Å; L285-V289 WeakPolarHBondContact O-CG1 3.4Å; L285-V289 VanDerWaalsContact O-CG2 3.24Å; L285-V289 WeakPolarHBondContact O-CG2 3.31Å; L285-V289 PolarHBondContact O-N 3.37Å; L285-V294 HydrophobicContact CD2-CG1 4.06Å; L285-V296 HydrophobicContact CD1-CG2 4.33Å; L285-V296 HydrophobicContact CD2-CG2 3.75Å; L285-F318 HydrophobicContact CD1-CD1 3.92Å; L285-F318 HydrophobicContact CD1-CE1 3.87Å; L285-L327 HydrophobicContact CD1-CD1 4.35Å; L285-L327 HydrophobicContact CD2-CD1 4.39Å
286	L	98.6	Very high	96.8	Very high	54 Å²	54	29 Å²	29	28%	0.283	15%	0.154	S	C	.	.	H	α-helix	trans	-52.2	-46.3	175.8	175	65.2	0	0	0	112	D282 L284 A290 L320 Y324	D282-L286 WeakPolarHBondContact O-CB 3.47Å; D282-L286 PolarHBondContact O-N 3.06Å; L284-L286 VanDerWaalsContact C-N 3.26Å; L284-L286 PolarHBondContact O-N 2.75Å; L286-A290 WeakPolarHBondContact O-CB 3.47Å; L286-A290 PolarHBondContact O-N 3.49Å; L286-L320 HydrophobicContact CB-CB 4.33Å; L286-L320 HydrophobicContact CD1-CB 4.42Å; L286-L320 HydrophobicContact CD2-CB 4.2Å; L286-L320 HydrophobicContact CD2-CD1 4.29Å; L286-Y324 HydrophobicContact CD1-CD2 4.21Å; L286-Y324 HydrophobicContact CD1-CE2 3.44Å; L286-Y324 VanDerWaalsContact CD1-CE2 3.44Å
287	Q	98.1	Very high	97.3	Very high	76 Å²	76	25.7 Å²	25.7	36%	0.355	14%	0.138	S	C	.	.	H	α-helix	trans	-63.3	-44.5	179.2	-66.1	176.5	62.2	0	0	111.6	Q218 V221 T225 E283 L284 L285	Q218-Q287 VanDerWaalsContact NE2-OE1 3.09Å; V221-Q287 HydrophobicContact CG1-CB 3.67Å; V221-Q287 HydrophobicContact CG1-CG 4.48Å; T225-Q287 WeakPolarHBondContact CG2-O 3.45Å; E283-Q287 PolarHBondContact O-N 3.03Å; L284-Q287 PolarHBondContact O-N 3.11Å; L285-Q287 VanDerWaalsContact C-N 3.29Å; L285-Q287 PolarHBondContact O-N 3.22Å
288	L	98.4	Very high	97.6	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-68.6	-51	179.8	-67.9	174.9	0	0	0	112.1	V221 V224 T225 L284 L285 A290 S291 V292 V294	V221-L288 HydrophobicContact CB-CD2 4.43Å; V221-L288 HydrophobicContact CG1-CD2 4.2Å; V221-L288 HydrophobicContact CG1-CG 4.45Å; V221-L288 HydrophobicContact CG2-CD2 4.22Å; V221-L288 HydrophobicContact CG2-CG 4.31Å; V224-L288 HydrophobicContact CB-CD2 4.07Å; V224-L288 HydrophobicContact CG1-CD2 3.85Å; T225-L288 HydrophobicContact CG2-CD2 4.45Å; L284-L288 HydrophobicContact CD2-CD1 3.64Å; L284-L288 HydrophobicContact CD2-CG 4.35Å; L284-L288 PolarHBondContact O-N 3.25Å; L285-L288 PolarHBondContact O-N 3.35Å; L285-L288 VanDerWaalsContact O-N 3.15Å; L288-A290 PolarHBondContact O-N 3.1Å; L288-S291 PolarHBondContact O-N 3.34Å; L288-V292 PolarHBondContact O-N 2.8Å; L288-V294 HydrophobicContact CB-CG2 3.65Å
289	V	98.3	Very high	97.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-67.6	-24.1	-173.4	-57.7	0	0	0	0	112.1	L285 S291 V292 V294 Y324 T326 L327	L285-V289 VanDerWaalsContact O-CG1 3.27Å; L285-V289 WeakPolarHBondContact O-CG1 3.4Å; L285-V289 VanDerWaalsContact O-CG2 3.24Å; L285-V289 WeakPolarHBondContact O-CG2 3.31Å; L285-V289 PolarHBondContact O-N 3.37Å; V289-S291 PolarHBondContact O-N 2.78Å; V289-V292 WeakPolarHBondContact CA-O 3.27Å; V289-V294 HydrophobicContact CG1-CB 3.92Å; V289-V294 HydrophobicContact CG1-CG2 3.7Å; V289-Y324 HydrophobicContact CG2-CD2 3.7Å; V289-Y324 HydrophobicContact CG2-CE2 4.47Å; V289-Y324 HydrophobicContact CG2-CG 3.76Å; V289-T326 WeakPolarHBondContact O-CB 3.21Å; V289-T326 PolarHBondContact O-OG1 3.15Å; V289-L327 HydrophobicContact CB-CB 4.48Å; V289-L327 HydrophobicContact CG1-CB 3.82Å; V289-L327 HydrophobicContact CG1-CD1 3.88Å; V289-L327 HydrophobicContact CG1-CG 4.4Å
290	A	97.1	Very high	97.8	Very high	62 Å²	62	24.1 Å²	24.1	51%	0.512	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.8	171	0	0	0	0	0	113	L286 L288 Y324	L286-A290 WeakPolarHBondContact O-CB 3.47Å; L286-A290 PolarHBondContact O-N 3.49Å; L288-A290 PolarHBondContact O-N 3.1Å; A290-Y324 HydrophobicContact CB-CE1 4.18Å
291	S	96.3	Very high	97.7	Very high	43 Å²	43	24.1 Å²	24.1	30%	0.301	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-39.4	-176.7	-167.9	0	0	0	0	113.9	R29 L288 V289	R29-S291 VanDerWaalsContact CD-O 3.22Å; R29-S291 WeakPolarHBondContact CD-O 3.42Å; R29-S291 PolarHBondContact NE-O 2.98Å; R29-S291 PolarHBondContact NE-OG 3.29Å; R29-S291 PolarHBondContact NH2-OG 3.21Å; L288-S291 PolarHBondContact O-N 3.34Å; V289-S291 PolarHBondContact O-N 2.78Å
292	V	97.5	Very high	97.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-144	148.2	-170	66.7	0	0	0	0	111.4	V224 V243 L288 V289 V294	V224-V292 HydrophobicContact CG1-CG1 3.78Å; V243-V292 HydrophobicContact CG2-CG1 3.68Å; V243-V292 HydrophobicContact CG2-CG2 4.49Å; L288-V292 PolarHBondContact O-N 2.8Å; V289-V292 WeakPolarHBondContact CA-O 3.27Å; V292-V294 HydrophobicContact CG1-CG2 4.35Å; V292-V294 WeakPolarHBondContact O-CG2 3.08Å; V292-V294 PolarHBondContact O-N 3.45Å
293	P	98.3	Very high	97.5	Very high	38 Å²	38	27.1 Å²	27.1	25%	0.247	15%	0.151	C	C	.	.			trans	-57.4	132.1	169.1	-25.8	35.4	0	0	0	112.8	R242 V243 T326	R242-P293 WeakPolarHBondContact CA-O 3.47Å; V243-P293 PolarHBondContact N-O 2.82Å; P293-T326 CarbonylContact C-O 3.43Å; P293-T326 WeakPolarHBondContact CA-O 3.02Å; P293-T326 HydrophobicContact CG-CG2 4.3Å
294	V	98.7	Very high	97.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.8	-179.4	-170.7	0	0	0	0	110.6	V243 L245 L285 L288 V289 V292 V296 T326 Q328	V243-V294 HydrophobicContact CB-CG1 4.36Å; V243-V294 HydrophobicContact CB-CG2 4.3Å; V243-V294 HydrophobicContact CG1-CG1 4.33Å; V243-V294 CarbonylContact O-C 3.57Å; V243-V294 WeakPolarHBondContact O-CA 3.37Å; L245-V294 HydrophobicContact CD1-CG1 4.13Å; L245-V294 HydrophobicContact CG-CG1 4.2Å; L285-V294 HydrophobicContact CD2-CG1 4.06Å; L288-V294 HydrophobicContact CB-CG2 3.65Å; V289-V294 HydrophobicContact CG1-CB 3.92Å; V289-V294 HydrophobicContact CG1-CG2 3.7Å; V292-V294 HydrophobicContact CG1-CG2 4.35Å; V292-V294 WeakPolarHBondContact O-CG2 3.08Å; V292-V294 PolarHBondContact O-N 3.45Å; V294-V296 HydrophobicContact CG1-CG2 3.95Å; V294-T326 PolarHBondContact N-O 2.81Å; V294-Q328 PolarHBondContact O-N 2.86Å
295	D	98.8	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126	170	-65.4	-34.3	0	0	0	109.4	Y34 R242 V243 L244 L245 Q328 V330 Y334	Y34-D295 PolarHBondContact OH-OD1 2.88Å; Y34-D295 PolarHBondContact OH-OD2 3.49Å; R242-D295 WeakPolarHBondContact CD-OD2 3.45Å; R242-D295 IonicContact CZ-OD2 3.98Å; R242-D295 IonicContact NE-OD2 3.25Å; R242-D295 IonicContact NH1-OD1 2.93Å; R242-D295 PolarHBondContact NH1-OD1 2.74Å; R242-D295 IonicContact NH1-OD2 3.82Å; R242-D295 PolarHBondContact NH1-OD2 2.81Å; V243-D295 PolarHBondContact O-N 2.81Å; L244-D295 WeakPolarHBondContact CA-O 3.23Å; L244-D295 HydrophobicContact CD1-CB 3.46Å; L244-D295 VanDerWaalsContact CD1-CB 3.46Å; L245-D295 PolarHBondContact N-O 3.4Å; D295-Q328 CarbonylContact C-O 3.59Å; D295-Q328 WeakPolarHBondContact CA-O 3.28Å; D295-Q328 WeakPolarHBondContact OD1-CB 3.49Å; D295-V330 HydrophobicContact CB-CG2 4.44Å; D295-Y334 PolarHBondContact OD2-OH 3.37Å
296	V	98.8	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	111.9	-176.2	-175.4	0	0	0	0	109.7	L245 L249 L285 V294 L313 L327 Q328 L329 V330	L245-V296 HydrophobicContact CD1-CG2 4.38Å; L249-V296 HydrophobicContact CD1-CG1 3.28Å; L249-V296 HydrophobicContact CG-CG1 4.49Å; L285-V296 HydrophobicContact CD1-CG2 4.33Å; L285-V296 HydrophobicContact CD2-CG2 3.75Å; V294-V296 HydrophobicContact CG1-CG2 3.95Å; V296-L313 HydrophobicContact CG1-CD1 4.25Å; V296-L327 HydrophobicContact CG2-CD1 3.8Å; V296-Q328 PolarHBondContact N-O 3.13Å; V296-L329 HydrophobicContact CB-CD2 3.88Å; V296-L329 HydrophobicContact CG1-CD2 4.35Å; V296-L329 HydrophobicContact CG2-CD2 4.27Å; V296-V330 VanDerWaalsContact O-CG2 3.32Å; V296-V330 WeakPolarHBondContact O-CG2 3.3Å; V296-V330 PolarHBondContact O-N 3.24Å
297	M	98.6	Very high	96.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	142.4	174.3	-60.1	170.2	60.3	0	0	110.4	L244 L245 A246 G247 V330 N332 Y334 F405	L244-M297 HydrophobicContact CD1-CG 4.07Å; L244-M297 HydrophobicContact CD1-SD 3.95Å; L244-M297 HydrophobicContact CD2-SD 4.43Å; L244-M297 HydrophobicContact CG-SD 4.33Å; L245-M297 WeakPolarHBondContact O-CB 3.45Å; L245-M297 PolarHBondContact O-N 3.49Å; A246-M297 HydrophobicContact CB-SD 3.98Å; G247-M297 WeakPolarHBondContact CA-O 3.18Å; G247-M297 PolarHBondContact N-O 2.93Å; M297-V330 HydrophobicContact CB-CG2 4.36Å; M297-V330 HydrophobicContact CG-CG2 3.58Å; M297-N332 HydrophobicContact CE-CB 4.28Å; M297-Y334 VanDerWaalsContact CE-CB 3.48Å; M297-Y334 HydrophobicContact CG-CG 4.35Å; M297-Y334 WeakPolarHBondContact SD-CB 3.49Å; M297-Y334 HydrophobicContact SD-CD1 4.32Å; M297-Y334 HydrophobicContact SD-CG 3.97Å; M297-F405 HydrophobicContact CE-CE2 4.44Å; M297-F405 HydrophobicContact CE-CZ 4.46Å; M297-F405 HydrophobicContact SD-CE2 4.05Å; M297-F405 HydrophobicContact SD-CZ 3.88Å
298	P	98.4	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.			trans	-78.5	145.8	168	32.4	-35.2	0	0	0	111.8	D302 T304 Q310 L313 V330 N332 S347	P298-D302 HydrophobicContact CB-CB 4.34Å; P298-T304 HydrophobicContact CB-CG2 3.46Å; P298-T304 VanDerWaalsContact CB-CG2 3.46Å; P298-T304 HydrophobicContact CG-CG2 4.01Å; P298-Q310 HydrophobicContact CB-CB 4.48Å; P298-Q310 HydrophobicContact CG-CB 3.8Å; P298-Q310 PolarHBondContact O-OE1 2.87Å; P298-L313 HydrophobicContact CB-CD2 4.12Å; P298-L313 HydrophobicContact CB-CG 4.24Å; P298-V330 WeakPolarHBondContact CD-O 3.4Å; P298-N332 HydrophobicContact CG-CB 4.11Å; P298-N332 VanDerWaalsContact O-CB 3.26Å; P298-N332 WeakPolarHBondContact O-CB 3.43Å; P298-N332 PolarHBondContact O-ND2 2.99Å; P298-S347 PolarHBondContact O-OG 3.26Å
299	G	97.4	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.			trans	-115.5	-159.8	170.9	0	0	0	0	0	113.6	Y301 D302 Q310 Q349	G299-Y301 PolarHBondContact O-N 2.66Å; G299-D302 WeakPolarHBondContact CA-OD2 3.48Å; G299-D302 PolarHBondContact N-OD2 2.8Å; G299-Q310 PolarHBondContact O-NE2 3.39Å; G299-Q310 PolarHBondContact O-OE1 2.88Å; G299-Q349 VanDerWaalsContact C-NE2 3.31Å
300	Q	95.4	Very high	96.6	Very high	88 Å²	88	29.6 Å²	29.6	41%	0.411	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-35.1	-172.2	-177	177.5	0.1	0	0	113	N248 Q349	N248-Q300 PolarHBondContact OD1-N 3Å; Q300-Q349 HydrophobicContact CB-CG 4.16Å; Q300-Q349 VanDerWaalsContact N-NE2 3.12Å
301	Y	93.7	Very high	96.6	Very high	46 Å²	46	27.7 Å²	27.7	18%	0.18	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.7	-174.9	-51.1	-55.9	0	0	0	113.2	Q252 Q255 G299	Q252-Y301 HydrophobicContact CB-CD1 3.97Å; Q252-Y301 HydrophobicContact CB-CD2 4.03Å; Q252-Y301 HydrophobicContact CB-CE1 3.77Å; Q252-Y301 HydrophobicContact CB-CE2 3.83Å; Q252-Y301 HydrophobicContact CB-CG 4.09Å; Q252-Y301 HydrophobicContact CG-CD1 3.99Å; Q252-Y301 HydrophobicContact CG-CE1 3.53Å; Q252-Y301 HydrophobicContact CG-CE2 4.44Å; Q255-Y301 HydrophobicContact CG-CD1 4.11Å; Q255-Y301 PolarHBondContact NE2-O 3.39Å; G299-Y301 PolarHBondContact O-N 2.66Å
302	D	95.9	Very high	96.7	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.037	14%	0.141	C	C	.	.	S	Bend	trans	-89.7	149.1	179.5	-60.3	-41.8	0	0	0	110.6	N248 L249 L250 P298 G299 T304 L313	N248-D302 PolarHBondContact N-OD2 3.28Å; L249-D302 PolarHBondContact N-OD1 3.45Å; L249-D302 PolarHBondContact N-OD2 3.22Å; L250-D302 PolarHBondContact N-OD1 3.02Å; P298-D302 HydrophobicContact CB-CB 4.34Å; G299-D302 WeakPolarHBondContact CA-OD2 3.48Å; G299-D302 PolarHBondContact N-OD2 2.8Å; D302-T304 VanDerWaalsContact C-N 3.29Å; D302-T304 PolarHBondContact O-N 3.03Å; D302-L313 HydrophobicContact CB-CD2 4.14Å
303	P	94.6	Very high	96.7	Very high	61 Å²	61	28 Å²	28	40%	0.396	14%	0.142	S	C	.	.	S	Bend	trans	-79	72.2	-169.7	30.2	-34.8	0	0	0	112.8	I278 L313 M317	I278-P303 HydrophobicContact CD1-CG 4.25Å; P303-L313 HydrophobicContact CG-CD2 4.27Å; P303-M317 HydrophobicContact CB-CE 4.01Å; P303-M317 HydrophobicContact CG-CE 3.06Å; P303-M317 HydrophobicContact CG-SD 3.89Å
304	T	94.7	Very high	96.7	Very high	41 Å²	41	32.2 Å²	32.2	25%	0.252	16%	0.158	S	C	.	.	S	Bend	trans	-136.4	-169.3	171.8	-171.6	0	0	0	0	110.6	P298 D302 Q310 Q311	P298-T304 HydrophobicContact CB-CG2 3.46Å; P298-T304 VanDerWaalsContact CB-CG2 3.46Å; P298-T304 HydrophobicContact CG-CG2 4.01Å; D302-T304 VanDerWaalsContact C-N 3.29Å; D302-T304 PolarHBondContact O-N 3.03Å; T304-Q310 HydrophobicContact CG2-CB 3.92Å; T304-Q310 HydrophobicContact CG2-CG 4.43Å; T304-Q311 PolarHBondContact OG1-O 3.17Å
305	N	94.6	Very high	96.6	Very high	27 Å²	27	39 Å²	39	14%	0.144	18%	0.184	C	C	.	.			trans	-64.6	145.3	173.2	56.7	-80	0	0	0	112.3	R46 T307 P309 Q310 Q311	R46-N305 PolarHBondContact NH2-OD1 3.46Å; N305-T307 PolarHBondContact ND2-O 3.39Å; N305-P309 PolarHBondContact ND2-O 2.72Å; N305-Q310 WeakPolarHBondContact ND2-CA 3.42Å; N305-Q310 WeakPolarHBondContact O-CG 3.24Å; N305-Q310 PolarHBondContact O-NE2 2.9Å; N305-Q310 VanDerWaalsContact O-NE2 3.16Å; N305-Q311 WeakPolarHBondContact OD1-CB 3.42Å; N305-Q311 WeakPolarHBondContact OD1-CG 3.22Å; N305-Q311 PolarHBondContact OD1-N 2.94Å
306	Y	93.4	Very high	96.5	Very high	164 Å²	164	43.6 Å²	43.6	64%	0.643	22%	0.215	S	C	*	.	S	Bend	trans	-71.6	-40.8	178.1	176.1	-100	0	0	0	112.8
307	T	95.3	Very high	96.4	Very high	28 Å²	28	45.5 Å²	45.5	17%	0.172	22%	0.224	C	C	.	.	S	Bend	trans	-72.8	144.1	-174.7	53.7	0	0	0	0	112.3	N305 P309 Q310 G385	N305-T307 PolarHBondContact ND2-O 3.39Å; T307-P309 CarbonylContact O-C 3.57Å; T307-P309 VanDerWaalsContact O-C 3.29Å; T307-Q310 PolarHBondContact O-N 2.73Å; T307-G385 WeakPolarHBondContact CA-O 3.46Å
308	L	96.9	Very high	96.4	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.052	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-72.5	143.8	167.3	-71.8	175.3	0	0	0	111.6	Q310 A377 L384 G385 C386 Y387 F395	L308-Q310 HydrophobicContact CD2-CG 4.25Å; L308-A377 HydrophobicContact CD1-CB 4.36Å; L308-L384 HydrophobicContact CD1-CD2 3.51Å; L308-L384 HydrophobicContact CD1-CG 4.02Å; L308-G385 PolarHBondContact N-O 3.29Å; L308-C386 HydrophobicContact CB-CB 4.25Å; L308-C386 CarbonylContact O-C 3.58Å; L308-C386 WeakPolarHBondContact O-CA 3.38Å; L308-C386 WeakPolarHBondContact O-CB 3.41Å; L308-Y387 PolarHBondContact O-N 2.62Å; L308-F395 HydrophobicContact CB-CE1 4.11Å; L308-F395 HydrophobicContact CB-CE2 4.47Å; L308-F395 HydrophobicContact CB-CZ 3.57Å
309	P	97.3	Very high	96.3	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	25%	0.252	C	S	.	.	S	Bend	cis	-72.6	134.4	-11.2	29.5	-34.4	0	0	0	112.2	Y41 V43 N305 T307 Q311 N332 F389	Y41-P309 HydrophobicContact CD1-CB 4.41Å; Y41-P309 HydrophobicContact CG-CB 4.48Å; Y41-P309 WeakPolarHBondContact O-CB 3.27Å; Y41-P309 WeakPolarHBondContact O-CG 3.33Å; V43-P309 HydrophobicContact CG2-CG 3.85Å; N305-P309 PolarHBondContact ND2-O 2.72Å; T307-P309 CarbonylContact O-C 3.57Å; T307-P309 VanDerWaalsContact O-C 3.29Å; P309-Q311 PolarHBondContact O-N 3.48Å; P309-Q311 PolarHBondContact O-NE2 2.8Å; P309-Q311 VanDerWaalsContact O-NE2 3.15Å; P309-N332 CarbonylContact C-O 3.6Å; P309-N332 VanDerWaalsContact CA-O 3.27Å; P309-N332 WeakPolarHBondContact CA-O 3.22Å; P309-F389 HydrophobicContact CG-CE2 4.46Å; P309-F389 HydrophobicContact CG-CZ 3.97Å
310	Q	97.9	Very high	96.4	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.023	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-71.6	126.8	172.3	-55.4	-174.6	-83.3	0	0	109.5	P298 G299 T304 N305 T307 L308 S331 N332	P298-Q310 HydrophobicContact CB-CB 4.48Å; P298-Q310 HydrophobicContact CG-CB 3.8Å; P298-Q310 PolarHBondContact O-OE1 2.87Å; G299-Q310 PolarHBondContact O-NE2 3.39Å; G299-Q310 PolarHBondContact O-OE1 2.88Å; T304-Q310 HydrophobicContact CG2-CB 3.92Å; T304-Q310 HydrophobicContact CG2-CG 4.43Å; N305-Q310 WeakPolarHBondContact ND2-CA 3.42Å; N305-Q310 WeakPolarHBondContact O-CG 3.24Å; N305-Q310 PolarHBondContact O-NE2 2.9Å; N305-Q310 VanDerWaalsContact O-NE2 3.16Å; T307-Q310 PolarHBondContact O-N 2.73Å; L308-Q310 HydrophobicContact CD2-CG 4.25Å; Q310-S331 WeakPolarHBondContact O-CA 3.45Å; Q310-S331 WeakPolarHBondContact O-CB 3.12Å; Q310-N332 HydrophobicContact CB-CB 4.15Å; Q310-N332 PolarHBondContact N-O 2.77Å; Q310-N332 PolarHBondContact O-N 3.48Å; Q310-N332 PolarHBondContact OE1-ND2 2.89Å
311	Q	97.2	Very high	96.5	Very high	23 Å²	23	49.2 Å²	49.2	11%	0.107	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-77.2	156.3	178.4	-61.3	-51.3	-75.8	0	0	110.8	Y41 T304 N305 P309	Y41-Q311 PolarHBondContact O-NE2 3.45Å; T304-Q311 PolarHBondContact OG1-O 3.17Å; N305-Q311 WeakPolarHBondContact OD1-CB 3.42Å; N305-Q311 WeakPolarHBondContact OD1-CG 3.22Å; N305-Q311 PolarHBondContact OD1-N 2.94Å; P309-Q311 PolarHBondContact O-N 3.48Å; P309-Q311 PolarHBondContact O-NE2 2.8Å; P309-Q311 VanDerWaalsContact O-NE2 3.15Å
312	P	97.8	Very high	96.7	Very high	44 Å²	44	48.1 Å²	48.1	29%	0.286	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-51.6	148.5	179.1	-26.7	33.6	0	0	0	113.6	L329 V330	P312-L329 HydrophobicContact CB-CB 4.13Å; P312-L329 WeakPolarHBondContact CB-O 3.35Å; P312-V330 WeakPolarHBondContact CA-O 3.32Å
313	L	97.6	Very high	96.7	Very high	5 Å²	5	53 Å²	53	3%	0.026	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-59.6	148.6	170.1	-62	175.1	0	0	0	110.2	L249 V296 P298 D302 P303 F318 L329	L249-L313 HydrophobicContact CD1-CD1 3.91Å; V296-L313 HydrophobicContact CG1-CD1 4.25Å; P298-L313 HydrophobicContact CB-CD2 4.12Å; P298-L313 HydrophobicContact CB-CG 4.24Å; D302-L313 HydrophobicContact CB-CD2 4.14Å; P303-L313 HydrophobicContact CG-CD2 4.27Å; L313-F318 HydrophobicContact CB-CE2 3.81Å; L313-F318 HydrophobicContact CB-CZ 4.37Å; L313-F318 HydrophobicContact CD1-CE2 4.16Å; L313-F318 HydrophobicContact CD1-CZ 3.89Å; L313-L329 WeakPolarHBondContact O-CD1 3.39Å
314	H	97.1	Very high	96.9	Very high	126 Å²	126	54.3 Å²	54.3	58%	0.583	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-82.2	133.3	-175.8	-166.3	-89.8	0	0	0	111.1	C316 M317	H314-C316 VanDerWaalsContact ND1-CB 3.34Å; H314-C316 WeakPolarHBondContact ND1-CB 3.43Å; H314-C316 PolarHBondContact ND1-N 2.68Å; H314-C316 PolarHBondContact ND1-SG 2.6Å; H314-C316 PolarHBondContact O-N 2.85Å; H314-C316 VanDerWaalsContact O-N 3.07Å; H314-M317 VanDerWaalsContact O-CB 3.3Å; H314-M317 WeakPolarHBondContact O-CB 3.26Å; H314-M317 VanDerWaalsContact O-CG 3.25Å; H314-M317 WeakPolarHBondContact O-CG 3.44Å; H314-M317 PolarHBondContact O-N 2.85Å; H314-M317 VanDerWaalsContact O-N 3.08Å
315	R	96.9	Very high	97	Very high	142 Å²	142	57.8 Å²	57.8	54%	0.536	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-57.9	-25.7	-177.5	-71	-175.4	174.6	-133.9	-2.6	114.6	M317 F318 S322 L329	R315-M317 PolarHBondContact O-N 3.44Å; R315-F318 PolarHBondContact O-N 3.38Å; R315-S322 PolarHBondContact O-OG 2.92Å; R315-L329 HydrophobicContact CG-CD1 3.79Å
316	C	96.9	Very high	97.1	Very high	97 Å²	97	58.3 Å²	58.3	66%	0.655	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-60.6	-18.2	177.9	76	0	0	0	0	113.7	H314 F318	H314-C316 VanDerWaalsContact ND1-CB 3.34Å; H314-C316 WeakPolarHBondContact ND1-CB 3.43Å; H314-C316 PolarHBondContact ND1-N 2.68Å; H314-C316 PolarHBondContact ND1-SG 2.6Å; H314-C316 PolarHBondContact O-N 2.85Å; H314-C316 VanDerWaalsContact O-N 3.07Å; C316-F318 VanDerWaalsContact C-N 3.25Å
317	M	96.8	Very high	97.3	Very high	40 Å²	40	50.8 Å²	50.8	20%	0.197	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-77.4	-15.8	178.6	-58.8	-177.8	71.7	0	0	112.6	I278 P303 H314 R315 P319	I278-M317 HydrophobicContact CD1-CE 3.31Å; I278-M317 HydrophobicContact CG1-CE 3.59Å; I278-M317 HydrophobicContact CG2-CB 4.04Å; I278-M317 HydrophobicContact CG2-CE 4.19Å; I278-M317 WeakPolarHBondContact CG2-O 3.32Å; P303-M317 HydrophobicContact CB-CE 4.01Å; P303-M317 HydrophobicContact CG-CE 3.06Å; P303-M317 HydrophobicContact CG-SD 3.89Å; H314-M317 VanDerWaalsContact O-CB 3.3Å; H314-M317 WeakPolarHBondContact O-CB 3.26Å; H314-M317 VanDerWaalsContact O-CG 3.25Å; H314-M317 WeakPolarHBondContact O-CG 3.44Å; H314-M317 PolarHBondContact O-N 2.85Å; H314-M317 VanDerWaalsContact O-N 3.08Å; R315-M317 PolarHBondContact O-N 3.44Å; M317-P319 VanDerWaalsContact C-CD 3.42Å; M317-P319 WeakPolarHBondContact O-CD 3.34Å
318	F	97.9	Very high	97.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.			trans	-128.8	60.2	-167.7	-56.9	-63.6	0	0	0	111.7	I278 L281 D282 L285 L313 R315 C316 L320 S321 S322 L329	I278-F318 HydrophobicContact CD1-CE1 4.49Å; L281-F318 HydrophobicContact CD2-CE1 3.72Å; L281-F318 HydrophobicContact CD2-CZ 4.04Å; L281-F318 HydrophobicContact CG-CE1 3.97Å; D282-F318 HydrophobicContact CB-CD1 4.03Å; D282-F318 VanDerWaalsContact CG-CA 3.44Å; D282-F318 VanDerWaalsContact OD1-CA 3.27Å; D282-F318 WeakPolarHBondContact OD1-CA 3.46Å; D282-F318 WeakPolarHBondContact OD1-CB 3.39Å; D282-F318 VanDerWaalsContact OD2-C 3.31Å; L285-F318 HydrophobicContact CD1-CD1 3.92Å; L285-F318 HydrophobicContact CD1-CE1 3.87Å; L313-F318 HydrophobicContact CB-CE2 3.81Å; L313-F318 HydrophobicContact CB-CZ 4.37Å; L313-F318 HydrophobicContact CD1-CE2 4.16Å; L313-F318 HydrophobicContact CD1-CZ 3.89Å; R315-F318 PolarHBondContact O-N 3.38Å; C316-F318 VanDerWaalsContact C-N 3.25Å; F318-L320 PolarHBondContact O-N 2.87Å; F318-S321 WeakPolarHBondContact CB-OG 3.49Å; F318-S322 WeakPolarHBondContact CB-OG 3.46Å; F318-S322 WeakPolarHBondContact O-CB 3.47Å; F318-S322 PolarHBondContact O-N 2.99Å; F318-S322 PolarHBondContact O-OG 3.28Å; F318-L329 HydrophobicContact CD2-CD1 3.8Å; F318-L329 HydrophobicContact CD2-CD2 4.13Å; F318-L329 HydrophobicContact CE2-CD1 4.01Å; F318-L329 HydrophobicContact CE2-CD2 3.95Å
319	P	97.9	Very high	97.5	Very high	91 Å²	91	53.2 Å²	53.2	59%	0.591	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.5	-177.2	25.1	-35.7	0	0	0	114	D282 M317	D282-P319 WeakPolarHBondContact OD2-CD 3.05Å; D282-P319 WeakPolarHBondContact OD2-CG 3.44Å; D282-P319 VanDerWaalsContact OD2-N 3.14Å; M317-P319 VanDerWaalsContact C-CD 3.42Å; M317-P319 WeakPolarHBondContact O-CD 3.34Å
320	L	98.4	Very high	97.6	Very high	75 Å²	75	53.5 Å²	53.5	39%	0.393	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-49.8	-179	-57.8	177	0	0	0	111.8	D282 E283 L286 F318 V323	D282-L320 VanDerWaalsContact OD2-CB 3.28Å; D282-L320 WeakPolarHBondContact OD2-CB 3.5Å; D282-L320 WeakPolarHBondContact OD2-CG 3.45Å; D282-L320 PolarHBondContact OD2-N 2.93Å; E283-L320 HydrophobicContact CG-CD1 3.87Å; L286-L320 HydrophobicContact CB-CB 4.33Å; L286-L320 HydrophobicContact CD1-CB 4.42Å; L286-L320 HydrophobicContact CD2-CB 4.2Å; L286-L320 HydrophobicContact CD2-CD1 4.29Å; F318-L320 PolarHBondContact O-N 2.87Å; L320-V323 VanDerWaalsContact O-CG2 3.32Å; L320-V323 WeakPolarHBondContact O-CG2 3.4Å
321	S	98.1	Very high	97.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-83.3	-26.5	-173.3	59.5	0	0	0	0	113.6	D282 F318 V323 Y324 L327	D282-S321 VanDerWaalsContact OD1-CB 3.31Å; D282-S321 WeakPolarHBondContact OD1-CB 3.3Å; D282-S321 PolarHBondContact OD1-N 2.8Å; D282-S321 PolarHBondContact OD1-OG 3Å; F318-S321 WeakPolarHBondContact CB-OG 3.49Å; S321-V323 PolarHBondContact O-N 3.33Å; S321-V323 VanDerWaalsContact O-N 3.1Å; S321-Y324 PolarHBondContact O-N 2.91Å; S321-Y324 VanDerWaalsContact O-N 3.09Å; S321-L327 WeakPolarHBondContact OG-CD2 3.33Å
322	S	97.3	Very high	97.6	Very high	23 Å²	23	52.3 Å²	52.3	16%	0.161	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-66.3	-13.4	-178.4	-66.6	0	0	0	0	115.1	R315 F318 Y324	R315-S322 PolarHBondContact O-OG 2.92Å; F318-S322 WeakPolarHBondContact CB-OG 3.46Å; F318-S322 WeakPolarHBondContact O-CB 3.47Å; F318-S322 PolarHBondContact O-N 2.99Å; F318-S322 PolarHBondContact O-OG 3.28Å; S322-Y324 PolarHBondContact O-N 3.43Å
323	V	96.9	Very high	97.6	Very high	109 Å²	109	50.2 Å²	50.2	66%	0.661	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-72.4	-20.3	175.2	-52.4	0	0	0	0	112	L320 S321	L320-V323 VanDerWaalsContact O-CG2 3.32Å; L320-V323 WeakPolarHBondContact O-CG2 3.4Å; S321-V323 PolarHBondContact O-N 3.33Å; S321-V323 VanDerWaalsContact O-N 3.1Å
324	Y	98.1	Very high	97.7	Very high	90 Å²	90	50 Å²	50	35%	0.353	27%	0.268	S	S	.	.	S	Bend	trans	-89.7	133.2	-179.5	-68.1	-95.3	0	0	0	111.2	L286 V289 A290 S321 S322 T326 L327	L286-Y324 HydrophobicContact CD1-CD2 4.21Å; L286-Y324 HydrophobicContact CD1-CE2 3.44Å; L286-Y324 VanDerWaalsContact CD1-CE2 3.44Å; V289-Y324 HydrophobicContact CG2-CD2 3.7Å; V289-Y324 HydrophobicContact CG2-CE2 4.47Å; V289-Y324 HydrophobicContact CG2-CG 3.76Å; A290-Y324 HydrophobicContact CB-CE1 4.18Å; S321-Y324 PolarHBondContact O-N 2.91Å; S321-Y324 VanDerWaalsContact O-N 3.09Å; S322-Y324 PolarHBondContact O-N 3.43Å; Y324-T326 WeakPolarHBondContact CB-OG1 3.49Å; Y324-T326 PolarHBondContact O-N 3.42Å; Y324-L327 PolarHBondContact O-N 3.32Å
325	P	96.2	Very high	97.7	Very high	113 Å²	113	44.2 Å²	44.2	73%	0.734	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-14.8	177.4	30.4	-35.7	0	0	0	113.2	L327 Q328	P325-L327 VanDerWaalsContact C-N 3.29Å; P325-Q328 PolarHBondContact O-NE2 3.23Å; P325-Q328 VanDerWaalsContact O-NE2 3.15Å
326	T	97.3	Very high	97.8	Very high	39 Å²	39	37.5 Å²	37.5	24%	0.239	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.8	176.1	43.1	0	0	0	0	113.1	V289 P293 V294 Y324	V289-T326 WeakPolarHBondContact O-CB 3.21Å; V289-T326 PolarHBondContact O-OG1 3.15Å; P293-T326 CarbonylContact C-O 3.43Å; P293-T326 WeakPolarHBondContact CA-O 3.02Å; P293-T326 HydrophobicContact CG-CG2 4.3Å; V294-T326 PolarHBondContact N-O 2.81Å; Y324-T326 WeakPolarHBondContact CB-OG1 3.49Å; Y324-T326 PolarHBondContact O-N 3.42Å
327	L	98.5	Very high	97.8	Very high	5 Å²	5	35 Å²	35	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.3	170.9	-177.1	65.9	0	0	0	111.2	L285 V289 V296 S321 Y324 P325 L329	L285-L327 HydrophobicContact CD1-CD1 4.35Å; L285-L327 HydrophobicContact CD2-CD1 4.39Å; V289-L327 HydrophobicContact CB-CB 4.48Å; V289-L327 HydrophobicContact CG1-CB 3.82Å; V289-L327 HydrophobicContact CG1-CD1 3.88Å; V289-L327 HydrophobicContact CG1-CG 4.4Å; V296-L327 HydrophobicContact CG2-CD1 3.8Å; S321-L327 WeakPolarHBondContact OG-CD2 3.33Å; Y324-L327 PolarHBondContact O-N 3.32Å; P325-L327 VanDerWaalsContact C-N 3.29Å; L327-L329 HydrophobicContact CD1-CD2 4.15Å; L327-L329 HydrophobicContact CD2-CD2 4.25Å; L327-L329 HydrophobicContact CG-CD2 4.23Å
328	Q	97.9	Very high	97.8	Very high	66 Å²	66	33.1 Å²	33.1	31%	0.308	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.8	173.4	-62	-63.9	-37.9	0	0	109.9	V294 D295 V296 P325 V330	V294-Q328 PolarHBondContact O-N 2.86Å; D295-Q328 CarbonylContact C-O 3.59Å; D295-Q328 WeakPolarHBondContact CA-O 3.28Å; D295-Q328 WeakPolarHBondContact OD1-CB 3.49Å; V296-Q328 PolarHBondContact N-O 3.13Å; P325-Q328 PolarHBondContact O-NE2 3.23Å; P325-Q328 VanDerWaalsContact O-NE2 3.15Å; Q328-V330 HydrophobicContact CB-CG1 4.31Å
329	L	98.2	Very high	97.7	Very high	23 Å²	23	34.2 Å²	34.2	12%	0.12	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.6	171.9	-53.8	177.8	0	0	0	107.6	V296 P312 L313 R315 F318 L327	V296-L329 HydrophobicContact CB-CD2 3.88Å; V296-L329 HydrophobicContact CG1-CD2 4.35Å; V296-L329 HydrophobicContact CG2-CD2 4.27Å; P312-L329 HydrophobicContact CB-CB 4.13Å; P312-L329 WeakPolarHBondContact CB-O 3.35Å; L313-L329 WeakPolarHBondContact O-CD1 3.39Å; R315-L329 HydrophobicContact CG-CD1 3.79Å; F318-L329 HydrophobicContact CD2-CD1 3.8Å; F318-L329 HydrophobicContact CD2-CD2 4.13Å; F318-L329 HydrophobicContact CE2-CD1 4.01Å; F318-L329 HydrophobicContact CE2-CD2 3.95Å; L327-L329 HydrophobicContact CD1-CD2 4.15Å; L327-L329 HydrophobicContact CD2-CD2 4.25Å; L327-L329 HydrophobicContact CG-CD2 4.23Å
330	V	98	Very high	97.6	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.042	18%	0.177	C	C	.	.			trans	-120.3	170	-170.6	-63.5	0	0	0	0	111.8	D295 V296 M297 P298 P312 Q328 Y334	D295-V330 HydrophobicContact CB-CG2 4.44Å; V296-V330 VanDerWaalsContact O-CG2 3.32Å; V296-V330 WeakPolarHBondContact O-CG2 3.3Å; V296-V330 PolarHBondContact O-N 3.24Å; M297-V330 HydrophobicContact CB-CG2 4.36Å; M297-V330 HydrophobicContact CG-CG2 3.58Å; P298-V330 WeakPolarHBondContact CD-O 3.4Å; P312-V330 WeakPolarHBondContact CA-O 3.32Å; Q328-V330 HydrophobicContact CB-CG1 4.31Å; V330-Y334 HydrophobicContact CB-CD2 3.95Å; V330-Y334 HydrophobicContact CB-CE2 4.34Å; V330-Y334 HydrophobicContact CG1-CD2 4.27Å; V330-Y334 HydrophobicContact CG1-CE2 4.16Å; V330-Y334 HydrophobicContact CG2-CD2 3.69Å; V330-Y334 HydrophobicContact CG2-CE2 4.16Å
331	S	97.9	Very high	97.6	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.014	16%	0.158	C	C	.	.			trans	-79.8	167.7	178.8	56.6	0	0	0	0	112.4	Q310 P333	Q310-S331 WeakPolarHBondContact O-CA 3.45Å; Q310-S331 WeakPolarHBondContact O-CB 3.12Å; S331-P333 CarbonylContact C-O 3.01Å; S331-P333 VanDerWaalsContact C-O 3.26Å; S331-P333 CarbonylContact O-C 3.53Å; S331-P333 VanDerWaalsContact O-O 3.13Å; S331-P333 PolarHBondContact OG-O 2.81Å
332	N	98.3	Very high	97.6	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-120.4	116.3	158.8	173.6	31.3	0	0	0	108.3	M297 P298 P309 Q310 T346 S347 Q349	M297-N332 HydrophobicContact CE-CB 4.28Å; P298-N332 HydrophobicContact CG-CB 4.11Å; P298-N332 VanDerWaalsContact O-CB 3.26Å; P298-N332 WeakPolarHBondContact O-CB 3.43Å; P298-N332 PolarHBondContact O-ND2 2.99Å; P309-N332 CarbonylContact C-O 3.6Å; P309-N332 VanDerWaalsContact CA-O 3.27Å; P309-N332 WeakPolarHBondContact CA-O 3.22Å; Q310-N332 HydrophobicContact CB-CB 4.15Å; Q310-N332 PolarHBondContact N-O 2.77Å; Q310-N332 PolarHBondContact O-N 3.48Å; Q310-N332 PolarHBondContact OE1-ND2 2.89Å; N332-T346 WeakPolarHBondContact OD1-CA 3.44Å; N332-S347 PolarHBondContact OD1-N 3.43Å; N332-S347 VanDerWaalsContact OD1-N 3.1Å; N332-Q349 PolarHBondContact ND2-NE2 2.83Å; N332-Q349 PolarHBondContact ND2-OE1 3.2Å
333	P	98.4	Very high	97.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.154	C	C	.	.	S	Bend	cis	-67.7	161.1	6.3	-21.4	35.3	0	0	0	115.2	Y41 S331 T346 L376 F395	Y41-P333 HydrophobicContact CD1-CB 4.42Å; Y41-P333 HydrophobicContact CD1-CG 4.25Å; Y41-P333 HydrophobicContact CD2-CB 4.26Å; Y41-P333 WeakPolarHBondContact CD2-O 3.39Å; Y41-P333 HydrophobicContact CE1-CB 4.08Å; Y41-P333 HydrophobicContact CE1-CG 4.03Å; Y41-P333 HydrophobicContact CE2-CB 3.92Å; S331-P333 CarbonylContact C-O 3.01Å; S331-P333 VanDerWaalsContact C-O 3.26Å; S331-P333 CarbonylContact O-C 3.53Å; S331-P333 VanDerWaalsContact O-O 3.13Å; S331-P333 PolarHBondContact OG-O 2.81Å; P333-T346 HydrophobicContact CB-CG2 4.19Å; P333-T346 HydrophobicContact CG-CG2 4.29Å; P333-L376 HydrophobicContact CB-CD1 4.03Å; P333-L376 HydrophobicContact CG-CD1 3.93Å; P333-F395 HydrophobicContact CG-CD1 4.38Å; P333-F395 HydrophobicContact CG-CE1 4.21Å
334	Y	98.4	Very high	97.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.9	177.6	169.3	-105.3	0	0	0	111.2	T38 L244 D295 M297 V330 A336 F343 L344 G345 F405	T38-Y334 HydrophobicContact CG2-CD2 4.08Å; L244-Y334 HydrophobicContact CD1-CD1 4.15Å; L244-Y334 HydrophobicContact CD1-CE1 3.96Å; L244-Y334 HydrophobicContact CD1-CE2 4.46Å; L244-Y334 HydrophobicContact CD1-CG 4.43Å; L244-Y334 HydrophobicContact CD2-CD1 3.8Å; L244-Y334 HydrophobicContact CD2-CE1 3.63Å; L244-Y334 HydrophobicContact CG-CE1 4.49Å; D295-Y334 PolarHBondContact OD2-OH 3.37Å; M297-Y334 VanDerWaalsContact CE-CB 3.48Å; M297-Y334 HydrophobicContact CG-CG 4.35Å; M297-Y334 WeakPolarHBondContact SD-CB 3.49Å; M297-Y334 HydrophobicContact SD-CD1 4.32Å; M297-Y334 HydrophobicContact SD-CG 3.97Å; V330-Y334 HydrophobicContact CB-CD2 3.95Å; V330-Y334 HydrophobicContact CB-CE2 4.34Å; V330-Y334 HydrophobicContact CG1-CD2 4.27Å; V330-Y334 HydrophobicContact CG1-CE2 4.16Å; V330-Y334 HydrophobicContact CG2-CD2 3.69Å; V330-Y334 HydrophobicContact CG2-CE2 4.16Å; Y334-A336 HydrophobicContact CE1-CB 4.11Å; Y334-A336 HydrophobicContact CE2-CB 4.03Å; Y334-A336 VanDerWaalsContact CZ-CB 3.49Å; Y334-A336 WeakPolarHBondContact OH-CB 3.44Å; Y334-F343 HydrophobicContact CE1-CB 4.35Å; Y334-L344 WeakPolarHBondContact O-CA 3.37Å; Y334-L344 WeakPolarHBondContact O-CD1 3.35Å; Y334-G345 PolarHBondContact N-O 2.87Å; Y334-G345 PolarHBondContact O-N 3.01Å; Y334-F405 HydrophobicContact CD1-CE1 4.02Å; Y334-F405 AromaticContact CD1-CZ 3.88Å; Y334-F405 HydrophobicContact CD1-CZ 3.88Å
335	G	97.9	Very high	97.8	Very high	5 Å²	5	18.5 Å²	18.5	5%	0.052	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142	169.4	0	0	0	0	0	110.8	R37 F343	R37-G335 CarbonylContact C-O 3.43Å; R37-G335 WeakPolarHBondContact CA-O 3.34Å; R37-G335 PolarHBondContact N-O 3.44Å; G335-F343 VanDerWaalsContact CA-O 3.3Å; G335-F343 WeakPolarHBondContact CA-O 3.4Å
336	A	98	Very high	97.9	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	160.7	173.1	0	0	0	0	0	111.5	Y34 S35 Y334 I338 R342 F343	Y34-A336 HydrophobicContact CE2-CB 3.78Å; S35-A336 CarbonylContact O-C 3.59Å; S35-A336 WeakPolarHBondContact O-CA 3.35Å; Y334-A336 HydrophobicContact CE1-CB 4.11Å; Y334-A336 HydrophobicContact CE2-CB 4.03Å; Y334-A336 VanDerWaalsContact CZ-CB 3.49Å; Y334-A336 WeakPolarHBondContact OH-CB 3.44Å; A336-I338 HydrophobicContact CB-CG1 4.29Å; A336-R342 CarbonylContact O-C 3.49Å; A336-R342 WeakPolarHBondContact O-CA 3.47Å; A336-F343 PolarHBondContact N-O 2.84Å; A336-F343 PolarHBondContact O-N 3.05Å
337	N	97.7	Very high	97.9	Very high	44 Å²	44	11.6 Å²	11.6	24%	0.235	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121	165	179.9	4.4	0	0	0	108.6	Y34 S35 G340 V341 R342	Y34-N337 WeakPolarHBondContact CA-O 3.44Å; S35-N337 PolarHBondContact N-O 3.4Å; S35-N337 PolarHBondContact O-N 3.47Å; S35-N337 WeakPolarHBondContact OG-CB 3.24Å; N337-G340 WeakPolarHBondContact OD1-CA 3.24Å; N337-G340 PolarHBondContact OD1-N 3.45Å; N337-V341 WeakPolarHBondContact CA-O 3.35Å; N337-V341 PolarHBondContact OD1-N 3.5Å; N337-V341 PolarHBondContact OD1-O 3.35Å; N337-R342 HydrophobicContact CB-CG 4.26Å
338	I	97.4	Very high	97.9	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	106.2	-174.7	-55.3	173.7	0	0	0	106.8	L32 Y34 V198 A336 G340 V341 F343 L444	L32-I338 HydrophobicContact CD1-CG2 3.51Å; Y34-I338 HydrophobicContact CD2-CG1 4.1Å; Y34-I338 HydrophobicContact CE2-CG1 4.34Å; V198-I338 HydrophobicContact CG2-CD1 4.19Å; V198-I338 HydrophobicContact CG2-CG2 3.97Å; A336-I338 HydrophobicContact CB-CG1 4.29Å; I338-G340 PolarHBondContact O-N 3.48Å; I338-V341 PolarHBondContact N-O 3.5Å; I338-V341 WeakPolarHBondContact O-CA 3.27Å; I338-V341 WeakPolarHBondContact O-CB 3.34Å; I338-V341 PolarHBondContact O-N 2.98Å; I338-F343 HydrophobicContact CB-CD2 4.25Å; I338-F343 HydrophobicContact CB-CE2 4.26Å; I338-F343 HydrophobicContact CD1-CB 4.46Å; I338-F343 HydrophobicContact CD1-CD1 4.5Å; I338-F343 HydrophobicContact CD1-CD2 3.72Å; I338-F343 HydrophobicContact CD1-CE2 4.03Å; I338-F343 HydrophobicContact CD1-CG 3.99Å; I338-F343 HydrophobicContact CG1-CD2 4.15Å; I338-L444 HydrophobicContact CG2-CD1 3.91Å
339	D	95.6	Very high	98	Very high	22 Å²	22	9.4 Å²	9.4	12%	0.118	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	36.8	-177.5	-146.9	31.2	0	0	0	113.5	L32 D33 L192 K196 V341 L444	L32-D339 HydrophobicContact CD1-CB 4.41Å; L32-D339 HydrophobicContact CD2-CB 3.73Å; D33-D339 PolarHBondContact O-N 3.4Å; L192-D339 HydrophobicContact CD1-CB 4.46Å; L192-D339 WeakPolarHBondContact CD2-OD2 3.15Å; K196-D339 WeakPolarHBondContact CD-OD2 3.28Å; K196-D339 WeakPolarHBondContact CE-OD2 3.31Å; K196-D339 IonicContact NZ-OD1 2.6Å; K196-D339 PolarHBondContact NZ-OD1 3.06Å; K196-D339 IonicContact NZ-OD2 3.77Å; K196-D339 PolarHBondContact NZ-OD2 2.96Å; D339-V341 VanDerWaalsContact C-N 3.27Å; D339-V341 PolarHBondContact O-N 3.32Å; D339-L444 HydrophobicContact CB-CD1 4.03Å
340	G	95.4	Very high	98	Very high	22 Å²	22	8.4 Å²	8.4	23%	0.227	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-3.3	-175.3	0	0	0	0	0	115	P190 N337 I338	P190-G340 WeakPolarHBondContact CD-O 3.3Å; N337-G340 WeakPolarHBondContact OD1-CA 3.24Å; N337-G340 PolarHBondContact OD1-N 3.45Å; I338-G340 PolarHBondContact O-N 3.48Å
341	V	97.8	Very high	98	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.1	174.4	-171.1	0	0	0	0	109.9	R189 N337 I338 D339 F343 H402 V403 L444 L447	R189-V341 HydrophobicContact CG-CG2 4.17Å; N337-V341 WeakPolarHBondContact CA-O 3.35Å; N337-V341 PolarHBondContact OD1-N 3.5Å; N337-V341 PolarHBondContact OD1-O 3.35Å; I338-V341 PolarHBondContact N-O 3.5Å; I338-V341 WeakPolarHBondContact O-CA 3.27Å; I338-V341 WeakPolarHBondContact O-CB 3.34Å; I338-V341 PolarHBondContact O-N 2.98Å; D339-V341 VanDerWaalsContact C-N 3.27Å; D339-V341 PolarHBondContact O-N 3.32Å; V341-F343 HydrophobicContact CB-CD2 4.45Å; V341-F343 HydrophobicContact CB-CE2 3.97Å; V341-F343 HydrophobicContact CG1-CD2 4.11Å; V341-F343 HydrophobicContact CG1-CE2 3.6Å; V341-F343 HydrophobicContact CG1-CZ 4.47Å; V341-F343 WeakPolarHBondContact O-CD2 3.22Å; V341-H402 HydrophobicContact CG1-CB 3.71Å; V341-V403 HydrophobicContact CG1-CG2 4Å; V341-L444 HydrophobicContact CB-CD2 4.1Å; V341-L444 HydrophobicContact CG1-CD2 4.29Å; V341-L444 HydrophobicContact CG2-CB 4.09Å; V341-L444 HydrophobicContact CG2-CD2 4.12Å; V341-L447 HydrophobicContact CG1-CD2 3.98Å
342	R	98.1	Very high	98	Very high	13 Å²	13	10 Å²	10	5%	0.049	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	116.9	-179.1	-71.9	-178.1	-66.5	149.4	11.2	110.5	Q186 T187 A336 N337 E399 C400 H402 V403	Q186-R342 VanDerWaalsContact CG-NH2 3.29Å; T187-R342 PolarHBondContact OG1-NE 3.48Å; T187-R342 PolarHBondContact OG1-NH2 3.07Å; A336-R342 CarbonylContact O-C 3.49Å; A336-R342 WeakPolarHBondContact O-CA 3.47Å; N337-R342 HydrophobicContact CB-CG 4.26Å; R342-E399 IonicContact CZ-OE2 2.81Å; R342-E399 IonicContact NH1-OE2 3.02Å; R342-E399 PolarHBondContact NH1-OE2 3.06Å; R342-C400 PolarHBondContact NH1-O 3.37Å; R342-C400 PolarHBondContact NH2-O 2.72Å; R342-H402 PolarHBondContact N-ND1 3.16Å; R342-H402 PolarHBondContact NH2-NE2 3.01Å; R342-H402 PolarHBondContact O-N 2.92Å; R342-V403 PolarHBondContact O-N 3.24Å
343	F	98.7	Very high	98	Very high	5 Å²	5	10.3 Å²	10.3	2%	0.022	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	138.4	173.6	-76.8	-112.1	0	0	0	109.5	V198 Y334 G335 A336 I338 V341 V403 F405 V442 L444	V198-F343 HydrophobicContact CB-CE1 4.36Å; V198-F343 HydrophobicContact CB-CZ 4.16Å; V198-F343 HydrophobicContact CG1-CE1 4.25Å; V198-F343 HydrophobicContact CG1-CZ 4.46Å; V198-F343 HydrophobicContact CG2-CZ 4.07Å; Y334-F343 HydrophobicContact CE1-CB 4.35Å; G335-F343 VanDerWaalsContact CA-O 3.3Å; G335-F343 WeakPolarHBondContact CA-O 3.4Å; A336-F343 PolarHBondContact N-O 2.84Å; A336-F343 PolarHBondContact O-N 3.05Å; I338-F343 HydrophobicContact CB-CD2 4.25Å; I338-F343 HydrophobicContact CB-CE2 4.26Å; I338-F343 HydrophobicContact CD1-CB 4.46Å; I338-F343 HydrophobicContact CD1-CD1 4.5Å; I338-F343 HydrophobicContact CD1-CD2 3.72Å; I338-F343 HydrophobicContact CD1-CE2 4.03Å; I338-F343 HydrophobicContact CD1-CG 3.99Å; I338-F343 HydrophobicContact CG1-CD2 4.15Å; V341-F343 HydrophobicContact CB-CD2 4.45Å; V341-F343 HydrophobicContact CB-CE2 3.97Å; V341-F343 HydrophobicContact CG1-CD2 4.11Å; V341-F343 HydrophobicContact CG1-CE2 3.6Å; V341-F343 HydrophobicContact CG1-CZ 4.47Å; V341-F343 WeakPolarHBondContact O-CD2 3.22Å; F343-V403 WeakPolarHBondContact CA-O 3.39Å; F343-V403 HydrophobicContact CD1-CB 3.78Å; F343-V403 HydrophobicContact CD1-CG1 3.83Å; F343-V403 HydrophobicContact CD1-CG2 4.33Å; F343-V403 HydrophobicContact CD2-CB 4.38Å; F343-V403 HydrophobicContact CD2-CG2 4.41Å; F343-V403 HydrophobicContact CE1-CB 3.82Å; F343-V403 HydrophobicContact CE1-CG1 3.71Å; F343-V403 HydrophobicContact CE1-CG2 3.93Å; F343-V403 HydrophobicContact CE2-CB 4.4Å; F343-V403 HydrophobicContact CE2-CG2 4.01Å; F343-V403 HydrophobicContact CG-CB 4.08Å; F343-V403 HydrophobicContact CZ-CB 4.13Å; F343-V403 HydrophobicContact CZ-CG1 4.38Å; F343-V403 HydrophobicContact CZ-CG2 3.75Å; F343-F405 HydrophobicContact CD1-CD1 4.49Å; F343-V442 HydrophobicContact CE1-CG1 4.4Å; F343-V442 HydrophobicContact CZ-CB 4.47Å; F343-V442 HydrophobicContact CZ-CG1 4.07Å; F343-L444 HydrophobicContact CE2-CD2 3.55Å; F343-L444 HydrophobicContact CZ-CD2 3.6Å
344	L	98.8	Very high	98	Very high	18 Å²	18	10.5 Å²	10.5	9%	0.094	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.5	169.8	177.8	66.1	0	0	0	107.6	Y334 L376 L397 P401 V403 Y404 F405	Y334-L344 WeakPolarHBondContact O-CA 3.37Å; Y334-L344 WeakPolarHBondContact O-CD1 3.35Å; L344-L376 HydrophobicContact CD1-CD1 4.39Å; L344-L376 HydrophobicContact CD2-CD2 3.98Å; L344-L376 HydrophobicContact CG-CD2 4.25Å; L344-L397 HydrophobicContact CD2-CD2 3.49Å; L344-L397 VanDerWaalsContact CD2-CD2 3.49Å; L344-P401 HydrophobicContact CB-CB 3.73Å; L344-P401 HydrophobicContact CB-CG 4.13Å; L344-P401 HydrophobicContact CD2-CB 4.46Å; L344-P401 HydrophobicContact CD2-CG 4.14Å; L344-V403 PolarHBondContact N-O 3.24Å; L344-Y404 HydrophobicContact CB-CD2 4.18Å; L344-Y404 HydrophobicContact CD2-CD2 4.12Å; L344-Y404 HydrophobicContact CD2-CE2 4.17Å; L344-Y404 HydrophobicContact CG-CD2 4.02Å; L344-Y404 HydrophobicContact CG-CE2 4.14Å; L344-Y404 VanDerWaalsContact O-CA 3.3Å; L344-Y404 WeakPolarHBondContact O-CA 3.28Å; L344-Y404 WeakPolarHBondContact O-CD2 3.34Å; L344-F405 VanDerWaalsContact O-CD1 3.26Å; L344-F405 WeakPolarHBondContact O-CD1 3.23Å; L344-F405 PolarHBondContact O-N 2.89Å
345	G	98.5	Very high	98	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	175.4	173.2	0	0	0	0	0	114.3	Y334 F405	Y334-G345 PolarHBondContact N-O 2.87Å; Y334-G345 PolarHBondContact O-N 3.01Å; G345-F405 WeakPolarHBondContact CA-O 3.43Å
346	T	98.8	Very high	97.9	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.031	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	166.2	-176.4	70	0	0	0	0	110.1	N332 P333 G348 N350 F405 G407	N332-T346 WeakPolarHBondContact OD1-CA 3.44Å; P333-T346 HydrophobicContact CB-CG2 4.19Å; P333-T346 HydrophobicContact CG-CG2 4.29Å; T346-G348 PolarHBondContact O-N 2.95Å; T346-G348 PolarHBondContact OG1-N 2.92Å; T346-G348 VanDerWaalsContact OG1-N 3.14Å; T346-N350 WeakPolarHBondContact CB-OD1 3.1Å; T346-N350 PolarHBondContact OG1-OD1 3.37Å; T346-F405 PolarHBondContact N-O 3.38Å; T346-G407 PolarHBondContact O-N 3.45Å
347	S	98.7	Very high	97.9	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.014	9%	0.094	C	C	.	.			trans	-79.3	14.2	168.3	-59.3	0	0	0	0	113.3	A246 G247 P298 N332 N408	A246-S347 WeakPolarHBondContact O-CA 3.32Å; A246-S347 WeakPolarHBondContact O-CB 3.4Å; A246-S347 PolarHBondContact O-OG 3.06Å; A246-S347 VanDerWaalsContact O-OG 3.13Å; G247-S347 WeakPolarHBondContact CA-OG 3.45Å; P298-S347 PolarHBondContact O-OG 3.26Å; N332-S347 PolarHBondContact OD1-N 3.43Å; N332-S347 VanDerWaalsContact OD1-N 3.1Å; S347-N408 PolarHBondContact O-ND2 3.18Å
348	G	98.3	Very high	97.9	Very high	2 Å²	2	15.6 Å²	15.6	2%	0.021	8%	0.082	C	C	.	.	S	Bend	trans	87.3	-1.1	169.1	0	0	0	0	0	117.1	T346 N350 V351 C352 S406 G407	T346-G348 PolarHBondContact O-N 2.95Å; T346-G348 PolarHBondContact OG1-N 2.92Å; T346-G348 VanDerWaalsContact OG1-N 3.14Å; G348-N350 VanDerWaalsContact C-N 3.27Å; G348-N350 PolarHBondContact O-N 3.18Å; G348-V351 PolarHBondContact O-N 3.24Å; G348-C352 WeakPolarHBondContact O-CB 3.47Å; G348-C352 PolarHBondContact O-N 3.22Å; G348-C352 PolarHBondContact O-SG 3.28Å; G348-C352 VanDerWaalsContact O-SG 3.41Å; G348-S406 WeakPolarHBondContact CA-OG 3.34Å; G348-G407 WeakPolarHBondContact CA-O 3.39Å
349	Q	98.4	Very high	97.9	Very high	23 Å²	23	17.4 Å²	17.4	11%	0.107	10%	0.095	C	C	.	.	H	α-helix	trans	-61	-36.2	178.2	-60.7	98.5	-33	0	0	112.7	G299 Q300 N332 D353 L384	G299-Q349 VanDerWaalsContact C-NE2 3.31Å; Q300-Q349 HydrophobicContact CB-CG 4.16Å; Q300-Q349 VanDerWaalsContact N-NE2 3.12Å; N332-Q349 PolarHBondContact ND2-NE2 2.83Å; N332-Q349 PolarHBondContact ND2-OE1 3.2Å; Q349-D353 VanDerWaalsContact O-CB 3.25Å; Q349-D353 WeakPolarHBondContact O-CB 3.47Å; Q349-D353 PolarHBondContact O-N 3.02Å; Q349-L384 HydrophobicContact CB-CD1 4.17Å
350	N	98.5	Very high	97.9	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.011	9%	0.091	C	C	.	.	H	α-helix	trans	-62.1	-46	176.2	60.7	-37.5	0	0	0	112.5	T346 G348 D353 I354 L376 A377 L384	T346-N350 WeakPolarHBondContact CB-OD1 3.1Å; T346-N350 PolarHBondContact OG1-OD1 3.37Å; G348-N350 VanDerWaalsContact C-N 3.27Å; G348-N350 PolarHBondContact O-N 3.18Å; N350-D353 PolarHBondContact O-N 3.22Å; N350-I354 WeakPolarHBondContact O-CG1 3.44Å; N350-I354 PolarHBondContact O-N 2.86Å; N350-L376 WeakPolarHBondContact CB-O 3.46Å; N350-L376 PolarHBondContact ND2-O 3.17Å; N350-A377 HydrophobicContact CB-CB 4.09Å; N350-L384 HydrophobicContact CB-CD2 4.11Å
351	V	98.6	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.4	-46.4	178.6	173.8	0	0	0	0	110.7	G348 D353 I354 K355 H363 I366 L367	G348-V351 PolarHBondContact O-N 3.24Å; V351-D353 VanDerWaalsContact C-N 3.26Å; V351-D353 PolarHBondContact O-N 3.08Å; V351-I354 PolarHBondContact O-N 3.36Å; V351-K355 PolarHBondContact O-N 2.86Å; V351-H363 HydrophobicContact CG1-CB 3.82Å; V351-I366 HydrophobicContact CB-CG2 4.14Å; V351-I366 HydrophobicContact CG1-CB 4.01Å; V351-I366 HydrophobicContact CG1-CD1 4.33Å; V351-I366 HydrophobicContact CG1-CG2 3.81Å; V351-I366 HydrophobicContact CG2-CG2 4.18Å; V351-L367 HydrophobicContact CG2-CD1 4.31Å
352	C	97.7	Very high	97.9	Very high	43 Å²	43	21.8 Å²	21.8	29%	0.291	12%	0.116	S	C	.	.	H	α-helix	trans	-62	-33.1	176.6	-71.9	0	0	0	0	112.8	G348 K356	G348-C352 WeakPolarHBondContact O-CB 3.47Å; G348-C352 PolarHBondContact O-N 3.22Å; G348-C352 PolarHBondContact O-SG 3.28Å; G348-C352 VanDerWaalsContact O-SG 3.41Å; C352-K356 WeakPolarHBondContact O-CG 3.5Å
353	D	98	Very high	97.9	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.043	12%	0.116	C	C	.	.	H	α-helix	trans	-71.2	-50.4	176.6	-165.8	67.2	0	0	0	111.4	Q349 N350 V351 K355 K356 Y357 T379 T383 L384	Q349-D353 VanDerWaalsContact O-CB 3.25Å; Q349-D353 WeakPolarHBondContact O-CB 3.47Å; Q349-D353 PolarHBondContact O-N 3.02Å; N350-D353 PolarHBondContact O-N 3.22Å; V351-D353 VanDerWaalsContact C-N 3.26Å; V351-D353 PolarHBondContact O-N 3.08Å; D353-K355 PolarHBondContact O-N 2.99Å; D353-K356 WeakPolarHBondContact O-CB 3.5Å; D353-K356 PolarHBondContact O-N 3.12Å; D353-Y357 VanDerWaalsContact O-CD2 3.22Å; D353-Y357 WeakPolarHBondContact O-CD2 3.39Å; D353-T379 VanDerWaalsContact OD2-CB 3.24Å; D353-T379 WeakPolarHBondContact OD2-CB 3.21Å; D353-T379 PolarHBondContact OD2-OG1 3.33Å; D353-T383 PolarHBondContact OD2-OG1 3.21Å; D353-L384 HydrophobicContact CB-CB 4.31Å; D353-L384 HydrophobicContact CB-CD1 4.5Å; D353-L384 HydrophobicContact CB-CD2 4.46Å
354	I	98.5	Very high	97.9	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-55.3	-40.6	176.7	-70.2	164.9	0	0	0	111.7	V156 N350 V351 K356 Y357 S358 M360 I366 T370 P378 T379	V156-I354 HydrophobicContact CG1-CG2 4.01Å; N350-I354 WeakPolarHBondContact O-CG1 3.44Å; N350-I354 PolarHBondContact O-N 2.86Å; V351-I354 PolarHBondContact O-N 3.36Å; I354-K356 PolarHBondContact O-N 3.24Å; I354-Y357 CarbonylContact O-C 3.6Å; I354-Y357 PolarHBondContact O-N 3.31Å; I354-Y357 VanDerWaalsContact O-N 3.11Å; I354-S358 WeakPolarHBondContact O-CB 3.43Å; I354-S358 PolarHBondContact O-N 2.92Å; I354-S358 PolarHBondContact O-OG 2.99Å; I354-M360 HydrophobicContact CG2-CE 3.63Å; I354-I366 HydrophobicContact CB-CG2 3.74Å; I354-I366 HydrophobicContact CD1-CG2 3.84Å; I354-I366 HydrophobicContact CG1-CG2 4.41Å; I354-I366 HydrophobicContact CG2-CB 4.43Å; I354-I366 HydrophobicContact CG2-CD1 4.27Å; I354-I366 HydrophobicContact CG2-CG1 4.09Å; I354-I366 HydrophobicContact CG2-CG2 3.57Å; I354-T370 HydrophobicContact CD1-CG2 3.36Å; I354-P378 HydrophobicContact CD1-CG 4.04Å; I354-T379 HydrophobicContact CG1-CG2 3.91Å
355	K	97.9	Very high	97.9	Very high	57 Å²	57	24.9 Å²	24.9	25%	0.248	13%	0.131	C	C	.	.	H	α-helix	trans	-57.8	-33.6	177.5	-176.8	167	177.2	160	0	113.4	V351 D353 Y357 D361 I366	V351-K355 PolarHBondContact O-N 2.86Å; D353-K355 PolarHBondContact O-N 2.99Å; K355-Y357 VanDerWaalsContact C-N 3.32Å; K355-D361 WeakPolarHBondContact CE-O 3.45Å; K355-D361 PolarHBondContact NZ-O 2.77Å; K355-I366 HydrophobicContact CB-CD1 3.63Å; K355-I366 HydrophobicContact CG-CD1 4.3Å
356	K	96.9	Very high	97.9	Very high	81 Å²	81	24.9 Å²	24.9	35%	0.352	13%	0.131	S	C	.	.	H	α-helix	trans	-72.4	-27.2	179.7	-65.3	168.6	-172.3	171.3	0	112.4	K127 Y128 C352 D353 I354	K127-K356 CarbonylContact C-O 3.43Å; K127-K356 VanDerWaalsContact CA-O 3.32Å; K127-K356 WeakPolarHBondContact CA-O 3.38Å; Y128-K356 HydrophobicContact CD2-CB 3.99Å; Y128-K356 HydrophobicContact CE2-CB 4.28Å; Y128-K356 HydrophobicContact CE2-CD 4.41Å; Y128-K356 PolarHBondContact N-O 2.73Å; C352-K356 WeakPolarHBondContact O-CG 3.5Å; D353-K356 WeakPolarHBondContact O-CB 3.5Å; D353-K356 PolarHBondContact O-N 3.12Å; I354-K356 PolarHBondContact O-N 3.24Å
357	Y	97.4	Very high	97.9	Very high	20 Å²	20	24.7 Å²	24.7	8%	0.078	13%	0.13	C	C	.	.	H	α-helix	trans	-112	7.8	-173.3	-58.9	-74.3	0	0	0	113.6	K101 M103 Q106 Y128 I129 D353 I354 K355 T383	K101-Y357 PolarHBondContact NZ-O 3.41Å; K101-Y357 VanDerWaalsContact NZ-O 3.09Å; M103-Y357 HydrophobicContact CE-CD1 3.45Å; M103-Y357 VanDerWaalsContact CE-CD1 3.45Å; M103-Y357 HydrophobicContact CE-CE1 4.13Å; M103-Y357 HydrophobicContact CE-CG 4.17Å; M103-Y357 HydrophobicContact SD-CD1 3.79Å; M103-Y357 HydrophobicContact SD-CG 4.48Å; Q106-Y357 HydrophobicContact CG-CE1 4.21Å; Y128-Y357 HydrophobicContact CD2-CD1 4.02Å; Y128-Y357 AromaticContact CD2-CE1 3.4Å; Y128-Y357 HydrophobicContact CD2-CE1 3.4Å; Y128-Y357 VanDerWaalsContact CD2-CE1 3.4Å; Y128-Y357 HydrophobicContact CD2-CE2 4.43Å; Y128-Y357 AromaticContact CD2-CZ 3.64Å; Y128-Y357 HydrophobicContact CE2-CE1 4.23Å; Y128-Y357 HydrophobicContact CG-CD1 4.28Å; Y128-Y357 AromaticContact CG-CE1 3.75Å; Y128-Y357 HydrophobicContact CG-CE1 3.75Å; I129-Y357 VanDerWaalsContact CG2-O 3.24Å; I129-Y357 WeakPolarHBondContact CG2-O 3.46Å; D353-Y357 VanDerWaalsContact O-CD2 3.22Å; D353-Y357 WeakPolarHBondContact O-CD2 3.39Å; I354-Y357 CarbonylContact O-C 3.6Å; I354-Y357 PolarHBondContact O-N 3.31Å; I354-Y357 VanDerWaalsContact O-N 3.11Å; K355-Y357 VanDerWaalsContact C-N 3.32Å; Y357-T383 HydrophobicContact CD1-CG2 4.31Å; Y357-T383 HydrophobicContact CD2-CG2 3.99Å; Y357-T383 HydrophobicContact CE1-CG2 3.8Å; Y357-T383 HydrophobicContact CE2-CG2 3.47Å; Y357-T383 VanDerWaalsContact CE2-CG2 3.47Å; Y357-T383 HydrophobicContact CG-CG2 4.39Å
358	S	97.4	Very high	97.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-134.1	164.8	177	66.9	0	0	0	0	113.2	K127 D153 I354 M360	K127-S358 PolarHBondContact NZ-O 2.91Å; K127-S358 VanDerWaalsContact NZ-O 3.1Å; D153-S358 CarbonylContact O-C 3.59Å; D153-S358 WeakPolarHBondContact O-CA 3.15Å; D153-S358 WeakPolarHBondContact O-CB 3.48Å; I354-S358 WeakPolarHBondContact O-CB 3.43Å; I354-S358 PolarHBondContact O-N 2.92Å; I354-S358 PolarHBondContact O-OG 2.99Å; S358-M360 PolarHBondContact O-N 2.88Å; S358-M360 WeakPolarHBondContact OG-CE 3.5Å
359	S	97.1	Very high	97.9	Very high	38 Å²	38	29.3 Å²	29.3	27%	0.266	15%	0.151	S	C	.	.	S	Bend	trans	-73.1	-14.8	171.2	52.3	0	0	0	0	112.9	K127 D153 K154 D361	K127-S359 PolarHBondContact NZ-O 2.78Å; D153-S359 VanDerWaalsContact C-OG 3.24Å; D153-S359 PolarHBondContact O-N 2.83Å; D153-S359 PolarHBondContact O-OG 3.42Å; K154-S359 WeakPolarHBondContact CG-OG 3.42Å; K154-S359 PolarHBondContact N-OG 2.98Å; S359-D361 PolarHBondContact O-N 2.95Å
360	M	97.1	Very high	97.9	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.03	15%	0.146	C	C	.	.			trans	-63.9	132.4	179.1	-62.4	179	-79.4	0	0	111.2	K127 K154 I354 S358 E365 I366 E369	K127-M360 PolarHBondContact NZ-O 2.94Å; K154-M360 HydrophobicContact CG-CG 4.38Å; K154-M360 WeakPolarHBondContact O-CE 3.45Å; I354-M360 HydrophobicContact CG2-CE 3.63Å; S358-M360 PolarHBondContact O-N 2.88Å; S358-M360 WeakPolarHBondContact OG-CE 3.5Å; M360-E365 HydrophobicContact CG-CG 4.35Å; M360-E365 HydrophobicContact SD-CG 4.18Å; M360-I366 HydrophobicContact CB-CD1 4Å; M360-I366 HydrophobicContact CB-CG1 3.56Å; M360-I366 HydrophobicContact CE-CG1 4.19Å; M360-I366 HydrophobicContact CG-CG1 4.37Å; M360-I366 HydrophobicContact SD-CG1 3.98Å; M360-E369 HydrophobicContact CE-CG 4.34Å; M360-E369 HydrophobicContact SD-CB 4.2Å; M360-E369 HydrophobicContact SD-CG 4.28Å
361	D	95.1	Very high	97.9	Very high	94 Å²	94	28.1 Å²	28.1	50%	0.503	15%	0.145	S	C	.	.			trans	-113.1	-33.4	-179.7	-76.5	-44.2	0	0	0	113.4	K127 K355 S359	K127-D361 WeakPolarHBondContact CE-OD1 3.49Å; K127-D361 IonicContact NZ-OD1 2.92Å; K127-D361 PolarHBondContact NZ-OD1 3.46Å; K127-D361 IonicContact NZ-OD2 3.65Å; K355-D361 WeakPolarHBondContact CE-O 3.45Å; K355-D361 PolarHBondContact NZ-O 2.77Å; S359-D361 PolarHBondContact O-N 2.95Å
362	S	97.4	Very high	97.9	Very high	37 Å²	37	30.7 Å²	30.7	26%	0.259	16%	0.155	S	C	.	.			trans	-72.8	129.3	176.7	170.2	0	0	0	0	109.9	L364 E365 I366 E413	S362-L364 PolarHBondContact O-N 2.89Å; S362-L364 PolarHBondContact OG-N 3.02Å; S362-L364 VanDerWaalsContact OG-N 3.16Å; S362-E365 PolarHBondContact O-N 2.85Å; S362-E365 PolarHBondContact OG-N 2.9Å; S362-I366 WeakPolarHBondContact O-CG1 3.22Å; S362-I366 PolarHBondContact O-N 3.19Å; S362-E413 PolarHBondContact OG-OE2 3.33Å
363	H	98.3	Very high	97.9	Very high	11 Å²	11	29.1 Å²	29.1	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-66.7	-31	174.4	-76.7	-132.3	0	0	0	110.6	V351 L367 A409 P410 T429	V351-H363 HydrophobicContact CG1-CB 3.82Å; H363-L367 VanDerWaalsContact O-CB 3.28Å; H363-L367 WeakPolarHBondContact O-CB 3.45Å; H363-L367 PolarHBondContact O-N 2.91Å; H363-A409 HydrophobicContact CB-CB 4.4Å; H363-P410 WeakPolarHBondContact CE1-CD 3.35Å; H363-P410 WeakPolarHBondContact NE2-CD 3.42Å; H363-T429 HydrophobicContact CB-CG2 3.8Å
364	L	98.6	Very high	97.9	Very high	19 Å²	19	30.4 Å²	30.4	10%	0.099	15%	0.148	C	C	.	.	H	α-helix	trans	-69.9	-40.9	177	-168.1	71.4	0	0	0	112.2	S362 L367 E368 E413 K415 L427 T429	S362-L364 PolarHBondContact O-N 2.89Å; S362-L364 PolarHBondContact OG-N 3.02Å; S362-L364 VanDerWaalsContact OG-N 3.16Å; L364-L367 PolarHBondContact O-N 3.2Å; L364-E368 PolarHBondContact O-N 3.49Å; L364-E413 HydrophobicContact CB-CB 4.13Å; L364-E413 HydrophobicContact CD1-CB 4.33Å; L364-E413 HydrophobicContact CD2-CB 3.88Å; L364-E413 HydrophobicContact CG-CB 4.35Å; L364-K415 HydrophobicContact CD1-CB 4.37Å; L364-K415 HydrophobicContact CD2-CB 3.77Å; L364-K415 HydrophobicContact CD2-CD 4.42Å; L364-K415 HydrophobicContact CG-CB 4.39Å; L364-L427 HydrophobicContact CD1-CB 3.75Å; L364-T429 HydrophobicContact CB-CG2 4.13Å; L364-T429 HydrophobicContact CD1-CG2 4.17Å
365	E	98.4	Very high	97.9	Very high	70 Å²	70	30.5 Å²	30.5	33%	0.327	15%	0.148	S	C	.	.	H	α-helix	trans	-60.1	-47.7	173.9	-175.8	-176.4	-169.6	0	0	110.5	K154 M360 S362 L367 E368 E369	K154-E365 IonicContact NZ-OE1 3.29Å; K154-E365 PolarHBondContact NZ-OE1 3.25Å; M360-E365 HydrophobicContact CG-CG 4.35Å; M360-E365 HydrophobicContact SD-CG 4.18Å; S362-E365 PolarHBondContact O-N 2.85Å; S362-E365 PolarHBondContact OG-N 2.9Å; E365-L367 VanDerWaalsContact C-N 3.33Å; E365-L367 PolarHBondContact O-N 3.27Å; E365-E368 PolarHBondContact O-N 3.21Å; E365-E369 WeakPolarHBondContact O-CB 3.44Å; E365-E369 PolarHBondContact O-N 2.88Å
366	I	98.8	Very high	97.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-62.9	-41.2	178	-66	168.5	0	0	0	111.1	V351 I354 K355 M360 S362 E369 T370	V351-I366 HydrophobicContact CB-CG2 4.14Å; V351-I366 HydrophobicContact CG1-CB 4.01Å; V351-I366 HydrophobicContact CG1-CD1 4.33Å; V351-I366 HydrophobicContact CG1-CG2 3.81Å; V351-I366 HydrophobicContact CG2-CG2 4.18Å; I354-I366 HydrophobicContact CB-CG2 3.74Å; I354-I366 HydrophobicContact CD1-CG2 3.84Å; I354-I366 HydrophobicContact CG1-CG2 4.41Å; I354-I366 HydrophobicContact CG2-CB 4.43Å; I354-I366 HydrophobicContact CG2-CD1 4.27Å; I354-I366 HydrophobicContact CG2-CG1 4.09Å; I354-I366 HydrophobicContact CG2-CG2 3.57Å; K355-I366 HydrophobicContact CB-CD1 3.63Å; K355-I366 HydrophobicContact CG-CD1 4.3Å; M360-I366 HydrophobicContact CB-CD1 4Å; M360-I366 HydrophobicContact CB-CG1 3.56Å; M360-I366 HydrophobicContact CE-CG1 4.19Å; M360-I366 HydrophobicContact CG-CG1 4.37Å; M360-I366 HydrophobicContact SD-CG1 3.98Å; S362-I366 WeakPolarHBondContact O-CG1 3.22Å; S362-I366 PolarHBondContact O-N 3.19Å; I366-E369 PolarHBondContact O-N 2.77Å; I366-T370 WeakPolarHBondContact O-CG2 3.28Å; I366-T370 PolarHBondContact O-N 3.39Å
367	L	98.6	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-45.6	177.6	-172.2	63.8	0	0	0	110.8	V351 H363 L364 E365 E369 T370 L371 Y404 L427 T429	V351-L367 HydrophobicContact CG2-CD1 4.31Å; H363-L367 VanDerWaalsContact O-CB 3.28Å; H363-L367 WeakPolarHBondContact O-CB 3.45Å; H363-L367 PolarHBondContact O-N 2.91Å; L364-L367 PolarHBondContact O-N 3.2Å; E365-L367 VanDerWaalsContact C-N 3.33Å; E365-L367 PolarHBondContact O-N 3.27Å; L367-E369 VanDerWaalsContact C-N 3.33Å; L367-E369 PolarHBondContact O-N 3.18Å; L367-T370 PolarHBondContact O-N 2.86Å; L367-T370 PolarHBondContact O-OG1 3.33Å; L367-L371 PolarHBondContact O-N 3.16Å; L367-Y404 HydrophobicContact CD1-CD1 3.67Å; L367-Y404 HydrophobicContact CD1-CE1 3.25Å; L367-Y404 HydrophobicContact CD1-CE2 4.22Å; L367-Y404 HydrophobicContact CD1-CG 4.32Å; L367-Y404 HydrophobicContact CG-CD1 3.81Å; L367-Y404 HydrophobicContact CG-CE1 3.78Å; L367-Y404 WeakPolarHBondContact O-CE1 3.38Å; L367-L427 HydrophobicContact CD2-CB 4.32Å; L367-T429 HydrophobicContact CD2-CG2 4.4Å
368	E	98.7	Very high	98	Very high	33 Å²	33	23 Å²	23	15%	0.154	12%	0.116	C	C	.	.	H	α-helix	trans	-58.9	-44.6	172.8	-173.8	166.7	179.3	0	0	111.4	L364 E365 T370 L371 R372 K415 I417 L427	L364-E368 PolarHBondContact O-N 3.49Å; E365-E368 PolarHBondContact O-N 3.21Å; E368-T370 PolarHBondContact O-N 3.09Å; E368-L371 WeakPolarHBondContact O-CB 3.47Å; E368-L371 PolarHBondContact O-N 2.95Å; E368-L371 VanDerWaalsContact O-N 3.1Å; E368-R372 HydrophobicContact CG-CG 4.27Å; E368-R372 WeakPolarHBondContact O-CG 3.18Å; E368-R372 PolarHBondContact O-N 2.86Å; E368-R372 IonicContact OE1-NE 2.85Å; E368-R372 IonicContact OE1-NH2 3.72Å; E368-R372 PolarHBondContact OE1-NH2 2.84Å; E368-K415 IonicContact OE1-NZ 2.9Å; E368-K415 IonicContact OE2-NZ 3.79Å; E368-K415 PolarHBondContact OE2-NZ 2.83Å; E368-I417 HydrophobicContact CG-CD1 4.2Å; E368-L427 HydrophobicContact CB-CD1 3.58Å; E368-L427 HydrophobicContact CG-CD1 4.03Å
369	E	98.3	Very high	98	Very high	69 Å²	69	23.1 Å²	23.1	32%	0.322	12%	0.117	S	C	.	.	H	α-helix	trans	-61.8	-44.2	-179.1	-169.3	59	-148.4	0	0	112	M360 E365 I366 L367 L371 R372 L373	M360-E369 HydrophobicContact CE-CG 4.34Å; M360-E369 HydrophobicContact SD-CB 4.2Å; M360-E369 HydrophobicContact SD-CG 4.28Å; E365-E369 WeakPolarHBondContact O-CB 3.44Å; E365-E369 PolarHBondContact O-N 2.88Å; I366-E369 PolarHBondContact O-N 2.77Å; L367-E369 VanDerWaalsContact C-N 3.33Å; L367-E369 PolarHBondContact O-N 3.18Å; E369-L371 PolarHBondContact O-N 2.98Å; E369-R372 PolarHBondContact O-N 3.31Å; E369-R372 VanDerWaalsContact O-N 3.14Å; E369-L373 HydrophobicContact CG-CD1 4.1Å; E369-L373 HydrophobicContact CG-CG 4.43Å; E369-L373 WeakPolarHBondContact O-CB 3.32Å; E369-L373 VanDerWaalsContact O-CG 3.31Å; E369-L373 WeakPolarHBondContact O-CG 3.45Å; E369-L373 PolarHBondContact O-N 3.4Å
370	T	98.6	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-34.6	175.4	60.6	0	0	0	0	112.5	I354 I366 L367 E368 R374 H375 Y404	I354-T370 HydrophobicContact CD1-CG2 3.36Å; I366-T370 WeakPolarHBondContact O-CG2 3.28Å; I366-T370 PolarHBondContact O-N 3.39Å; L367-T370 PolarHBondContact O-N 2.86Å; L367-T370 PolarHBondContact O-OG1 3.33Å; E368-T370 PolarHBondContact O-N 3.09Å; T370-R374 PolarHBondContact O-N 2.6Å; T370-H375 WeakPolarHBondContact CB-O 3.45Å; T370-H375 CarbonylContact O-C 3.59Å; T370-H375 PolarHBondContact O-N 2.81Å; T370-H375 VanDerWaalsContact O-O 3.06Å; T370-Y404 WeakPolarHBondContact OG1-CE1 3.46Å; T370-Y404 PolarHBondContact OG1-OH 3.09Å
371	L	98.4	Very high	98	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-73.1	-40	177.4	-178.2	62	0	0	0	111.5	L183 L367 E368 E369 R374 L397 P401 Y404 I417 V425 L427	L183-L371 HydrophobicContact CD2-CD1 4.06Å; L183-L371 HydrophobicContact CD2-CD2 3.76Å; L183-L371 HydrophobicContact CD2-CG 3.43Å; L183-L371 VanDerWaalsContact CD2-CG 3.43Å; L367-L371 PolarHBondContact O-N 3.16Å; E368-L371 WeakPolarHBondContact O-CB 3.47Å; E368-L371 PolarHBondContact O-N 2.95Å; E368-L371 VanDerWaalsContact O-N 3.1Å; E369-L371 PolarHBondContact O-N 2.98Å; L371-R374 WeakPolarHBondContact O-CA 3.44Å; L371-R374 PolarHBondContact O-N 2.9Å; L371-L397 HydrophobicContact CD1-CD1 3.55Å; L371-P401 HydrophobicContact CD1-CG 4.43Å; L371-Y404 HydrophobicContact CB-CD1 3.91Å; L371-Y404 HydrophobicContact CB-CE1 3.84Å; L371-Y404 HydrophobicContact CD1-CD1 4.37Å; L371-Y404 HydrophobicContact CD2-CD1 4.11Å; L371-Y404 HydrophobicContact CG-CD1 4.33Å; L371-I417 HydrophobicContact CD2-CD1 3.74Å; L371-V425 HydrophobicContact CD2-CB 4.16Å; L371-V425 HydrophobicContact CD2-CG1 3.85Å; L371-V425 HydrophobicContact CD2-CG2 4.21Å; L371-L427 HydrophobicContact CD2-CD2 3.76Å
372	R	97.9	Very high	98	Very high	53 Å²	53	20.4 Å²	20.4	20%	0.2	10%	0.1	C	C	.	.	H	α-helix	trans	-68.3	-32.9	174.4	-64.8	-66.3	-175.8	177.8	-0.5	112.8	T180 D182 E368 E369 R374 Q418	T180-R372 WeakPolarHBondContact CB-O 3.41Å; T180-R372 PolarHBondContact OG1-O 3.28Å; D182-R372 VanDerWaalsContact CA-O 3.3Å; D182-R372 WeakPolarHBondContact CA-O 3.35Å; D182-R372 PolarHBondContact N-O 2.81Å; D182-R372 VanDerWaalsContact OD1-CD 3.23Å; D182-R372 WeakPolarHBondContact OD1-CD 3.3Å; D182-R372 IonicContact OD1-CZ 3.9Å; D182-R372 IonicContact OD1-NE 3.93Å; D182-R372 IonicContact OD1-NH1 2.98Å; D182-R372 PolarHBondContact OD1-NH1 3.06Å; D182-R372 IonicContact OD2-NH1 2.8Å; E368-R372 HydrophobicContact CG-CG 4.27Å; E368-R372 WeakPolarHBondContact O-CG 3.18Å; E368-R372 PolarHBondContact O-N 2.86Å; E368-R372 IonicContact OE1-NE 2.85Å; E368-R372 IonicContact OE1-NH2 3.72Å; E368-R372 PolarHBondContact OE1-NH2 2.84Å; E369-R372 PolarHBondContact O-N 3.31Å; E369-R372 VanDerWaalsContact O-N 3.14Å; R372-R374 PolarHBondContact O-N 3.34Å; R372-Q418 PolarHBondContact NH2-O 3.39Å
373	L	98.2	Very high	97.9	Very high	10 Å²	10	20 Å²	20	5%	0.052	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.3	170.6	-70.8	171.7	0	0	0	112.7	M63 S159 I161 T180 E369 H375 P378	M63-L373 WeakPolarHBondContact CE-O 3.48Å; S159-L373 WeakPolarHBondContact OG-CD1 3.34Å; I161-L373 HydrophobicContact CG2-CD2 4.21Å; T180-L373 HydrophobicContact CG2-CD2 3.86Å; E369-L373 HydrophobicContact CG-CD1 4.1Å; E369-L373 HydrophobicContact CG-CG 4.43Å; E369-L373 WeakPolarHBondContact O-CB 3.32Å; E369-L373 VanDerWaalsContact O-CG 3.31Å; E369-L373 WeakPolarHBondContact O-CG 3.45Å; E369-L373 PolarHBondContact O-N 3.4Å; L373-H375 PolarHBondContact O-N 2.88Å; L373-P378 HydrophobicContact CD1-CG 4.21Å
374	R	98.2	Very high	97.8	Very high	35 Å²	35	20.2 Å²	20.2	13%	0.132	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	33.3	-175.5	-157.1	172.7	-171.6	165.5	-3.2	112.3	M63 A181 P184 T370 L371 R372 L397	M63-R374 HydrophobicContact CE-CB 4.07Å; A181-R374 HydrophobicContact CB-CB 3.79Å; P184-R374 VanDerWaalsContact CA-CZ 3.47Å; P184-R374 VanDerWaalsContact CA-NH2 3.33Å; P184-R374 VanDerWaalsContact CB-NH2 3.29Å; P184-R374 HydrophobicContact CG-CG 4.03Å; T370-R374 PolarHBondContact O-N 2.6Å; L371-R374 WeakPolarHBondContact O-CA 3.44Å; L371-R374 PolarHBondContact O-N 2.9Å; R372-R374 PolarHBondContact O-N 3.34Å; R374-L397 HydrophobicContact CG-CB 3.77Å; R374-L397 VanDerWaalsContact CG-O 3.27Å; R374-L397 WeakPolarHBondContact CG-O 3.3Å; R374-L397 PolarHBondContact NE-O 2.71Å; R374-L397 PolarHBondContact O-N 3.41Å
375	H	98.6	Very high	97.6	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.028	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-148.3	121.4	-173.3	-162.5	-74.3	0	0	0	112.1	R59 T370 L373 A377 P378 D393 F395	R59-H375 VanDerWaalsContact CZ-NE2 3.34Å; R59-H375 PolarHBondContact NE-NE2 3.27Å; R59-H375 PolarHBondContact NH2-NE2 3.42Å; T370-H375 WeakPolarHBondContact CB-O 3.45Å; T370-H375 CarbonylContact O-C 3.59Å; T370-H375 PolarHBondContact O-N 2.81Å; T370-H375 VanDerWaalsContact O-O 3.06Å; L373-H375 PolarHBondContact O-N 2.88Å; H375-A377 PolarHBondContact CE1-O 2.63Å; H375-A377 PolarHBondContact ND1-N 2.62Å; H375-A377 VanDerWaalsContact ND1-N 3.17Å; H375-A377 PolarHBondContact ND1-O 3.03Å; H375-A377 PolarHBondContact O-N 3.31Å; H375-P378 WeakPolarHBondContact ND1-CA 3.49Å; H375-D393 IonicContact CE1-OD2 2.8Å; H375-D393 IonicContact NE2-OD1 3.68Å; H375-D393 IonicContact NE2-OD2 2.81Å; H375-D393 PolarHBondContact NE2-OD2 2.95Å; H375-F395 CarbonylContact C-O 3.56Å; H375-F395 WeakPolarHBondContact CA-O 3.34Å; H375-F395 VanDerWaalsContact CE1-CB 3.41Å; H375-F395 WeakPolarHBondContact CE1-CB 3.25Å
376	L	97.9	Very high	97.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.086	C	C	.	.	S	Bend	trans	-62.1	-40.6	-176.9	-70.7	174.5	0	0	0	113.4	Y41 P333 L344 N350 F395 L397 Y404	Y41-L376 HydrophobicContact CE1-CD1 4.32Å; Y41-L376 WeakPolarHBondContact OH-CD1 3.43Å; P333-L376 HydrophobicContact CB-CD1 4.03Å; P333-L376 HydrophobicContact CG-CD1 3.93Å; L344-L376 HydrophobicContact CD1-CD1 4.39Å; L344-L376 HydrophobicContact CD2-CD2 3.98Å; L344-L376 HydrophobicContact CG-CD2 4.25Å; N350-L376 WeakPolarHBondContact CB-O 3.46Å; N350-L376 PolarHBondContact ND2-O 3.17Å; L376-F395 HydrophobicContact CB-CB 4.13Å; L376-F395 HydrophobicContact CB-CD1 4.49Å; L376-F395 HydrophobicContact CD1-CD1 4.49Å; L376-F395 PolarHBondContact N-O 2.79Å; L376-L397 HydrophobicContact CD1-CD2 4.32Å; L376-L397 HydrophobicContact CD2-CD2 3.77Å; L376-L397 HydrophobicContact CG-CD2 3.67Å; L376-Y404 HydrophobicContact CD2-CE2 3.49Å; L376-Y404 VanDerWaalsContact CD2-CE2 3.49Å; L376-Y404 VanDerWaalsContact CD2-OH 3.28Å; L376-Y404 WeakPolarHBondContact CD2-OH 3.22Å
377	A	98.1	Very high	97.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.008	9%	0.089	C	C	.	.			trans	-142.8	68.6	-171.2	0	0	0	0	0	111.6	L308 N350 H375 T379 A380 L384 F395	L308-A377 HydrophobicContact CD1-CB 4.36Å; N350-A377 HydrophobicContact CB-CB 4.09Å; H375-A377 PolarHBondContact CE1-O 2.63Å; H375-A377 PolarHBondContact ND1-N 2.62Å; H375-A377 VanDerWaalsContact ND1-N 3.17Å; H375-A377 PolarHBondContact ND1-O 3.03Å; H375-A377 PolarHBondContact O-N 3.31Å; A377-T379 PolarHBondContact O-N 3.33Å; A377-A380 HydrophobicContact CB-CB 4.16Å; A377-A380 WeakPolarHBondContact O-CB 3.23Å; A377-A380 PolarHBondContact O-N 3.09Å; A377-L384 HydrophobicContact CB-CD2 4.19Å; A377-F395 HydrophobicContact CB-CD2 4.4Å; A377-F395 HydrophobicContact CB-CG 4.37Å
378	P	98.1	Very high	97.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-34	-175.1	22.1	-33.6	0	0	0	112.6	R59 V156 T157 G158 I354 L373 H375 A380	R59-P378 PolarHBondContact NH1-O 2.71Å; V156-P378 HydrophobicContact CG2-CB 4.42Å; V156-P378 HydrophobicContact CG2-CG 4.03Å; T157-P378 CarbonylContact O-C 3.6Å; G158-P378 WeakPolarHBondContact CA-O 3.27Å; I354-P378 HydrophobicContact CD1-CG 4.04Å; L373-P378 HydrophobicContact CD1-CG 4.21Å; H375-P378 WeakPolarHBondContact ND1-CA 3.49Å; P378-A380 PolarHBondContact O-N 2.92Å
379	T	98.1	Very high	96.9	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-5.3	179.9	61.1	0	0	0	0	114.9	V156 T157 D353 I354 A377 D382 T383 L384	V156-T379 HydrophobicContact CB-CG2 3.86Å; V156-T379 HydrophobicContact CG1-CG2 4.42Å; V156-T379 HydrophobicContact CG2-CG2 4Å; T157-T379 WeakPolarHBondContact O-CA 3.45Å; D353-T379 VanDerWaalsContact OD2-CB 3.24Å; D353-T379 WeakPolarHBondContact OD2-CB 3.21Å; D353-T379 PolarHBondContact OD2-OG1 3.33Å; I354-T379 HydrophobicContact CG1-CG2 3.91Å; A377-T379 PolarHBondContact O-N 3.33Å; T379-D382 PolarHBondContact O-N 2.9Å; T379-T383 WeakPolarHBondContact CB-OG1 3.26Å; T379-T383 PolarHBondContact O-N 2.81Å; T379-L384 PolarHBondContact O-N 3.33Å
380	A	97.6	Very high	96.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	136.3	171.7	0	0	0	0	0	110.6	R59 A377 P378 L384 C386 F395	R59-A380 PolarHBondContact NH1-O 3.04Å; R59-A380 PolarHBondContact NH2-O 3.25Å; A377-A380 HydrophobicContact CB-CB 4.16Å; A377-A380 WeakPolarHBondContact O-CB 3.23Å; A377-A380 PolarHBondContact O-N 3.09Å; P378-A380 PolarHBondContact O-N 2.92Å; A380-L384 VanDerWaalsContact CA-O 3.26Å; A380-L384 WeakPolarHBondContact CA-O 3.28Å; A380-L384 HydrophobicContact CB-CB 4.31Å; A380-L384 VanDerWaalsContact CB-O 3.28Å; A380-L384 WeakPolarHBondContact CB-O 3.39Å; A380-C386 HydrophobicContact CB-CB 3.99Å; A380-F395 HydrophobicContact CB-CE2 4.31Å
381	P	96.2	Very high	96	Very high	15 Å²	15	25.8 Å²	25.8	10%	0.097	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.1	-4	3.3	32.5	-37	0	0	0	116.4	Y52 I55 Y56 T383 L384	Y52-P381 HydrophobicContact CD1-CB 3.46Å; Y52-P381 VanDerWaalsContact CD1-CB 3.46Å; Y52-P381 HydrophobicContact CD1-CG 3.48Å; Y52-P381 VanDerWaalsContact CD1-CG 3.48Å; Y52-P381 HydrophobicContact CD2-CB 4.45Å; Y52-P381 HydrophobicContact CD2-CG 4.5Å; Y52-P381 HydrophobicContact CE1-CB 3.57Å; Y52-P381 HydrophobicContact CE1-CG 4.15Å; Y52-P381 HydrophobicContact CG-CB 3.94Å; Y52-P381 HydrophobicContact CG-CG 3.7Å; I55-P381 HydrophobicContact CG2-CG 4Å; Y56-P381 HydrophobicContact CE2-CG 3.95Å; Y56-P381 WeakPolarHBondContact OH-CD 3.31Å; P381-T383 PolarHBondContact O-N 2.58Å; P381-L384 WeakPolarHBondContact CA-O 3.09Å
382	D	94.7	Very high	95.7	Very high	65 Å²	65	34.1 Å²	34.1	35%	0.348	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-52.4	-165.8	-166.9	53.4	0	0	0	113.8	Q106 T157 T379	Q106-D382 PolarHBondContact NE2-OD2 3.25Å; T157-D382 HydrophobicContact CG2-CB 4.11Å; T379-D382 PolarHBondContact O-N 2.9Å
383	T	94.6	Very high	95.7	Very high	28 Å²	28	31.6 Å²	31.6	17%	0.172	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-30.9	-179.4	54.1	0	0	0	0	112.3	Q106 D353 Y357 T379 P381	Q106-T383 VanDerWaalsContact NE2-CG2 3.29Å; D353-T383 PolarHBondContact OD2-OG1 3.21Å; Y357-T383 HydrophobicContact CD1-CG2 4.31Å; Y357-T383 HydrophobicContact CD2-CG2 3.99Å; Y357-T383 HydrophobicContact CE1-CG2 3.8Å; Y357-T383 HydrophobicContact CE2-CG2 3.47Å; Y357-T383 VanDerWaalsContact CE2-CG2 3.47Å; Y357-T383 HydrophobicContact CG-CG2 4.39Å; T379-T383 WeakPolarHBondContact CB-OG1 3.26Å; T379-T383 PolarHBondContact O-N 2.81Å; P381-T383 PolarHBondContact O-N 2.58Å
384	L	96.4	Very high	95.6	Very high	17 Å²	17	31.6 Å²	31.6	9%	0.089	15%	0.146	C	C	.	.	S	Bend	trans	-101.7	111.8	172.8	-173.2	61.1	0	0	0	110.8	L308 Q349 N350 D353 A377 T379 A380 P381 C386	L308-L384 HydrophobicContact CD1-CD2 3.51Å; L308-L384 HydrophobicContact CD1-CG 4.02Å; Q349-L384 HydrophobicContact CB-CD1 4.17Å; N350-L384 HydrophobicContact CB-CD2 4.11Å; D353-L384 HydrophobicContact CB-CB 4.31Å; D353-L384 HydrophobicContact CB-CD1 4.5Å; D353-L384 HydrophobicContact CB-CD2 4.46Å; A377-L384 HydrophobicContact CB-CD2 4.19Å; T379-L384 PolarHBondContact O-N 3.33Å; A380-L384 VanDerWaalsContact CA-O 3.26Å; A380-L384 WeakPolarHBondContact CA-O 3.28Å; A380-L384 HydrophobicContact CB-CB 4.31Å; A380-L384 VanDerWaalsContact CB-O 3.28Å; A380-L384 WeakPolarHBondContact CB-O 3.39Å; P381-L384 WeakPolarHBondContact CA-O 3.09Å; L384-C386 PolarHBondContact O-N 2.9Å
385	G	95.8	Very high	95.5	Very high	18 Å²	18	29.9 Å²	29.9	19%	0.186	14%	0.14	C	C	.	.			trans	-59.6	128.4	-178	0	0	0	0	0	113.1	T307 L308	T307-G385 WeakPolarHBondContact CA-O 3.46Å; L308-G385 PolarHBondContact N-O 3.29Å
386	C	96.5	Very high	95.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-132.9	166.7	173.1	76	0	0	0	0	112.1	Y52 L308 A380 L384 F395	Y52-C386 WeakPolarHBondContact CE1-O 3.48Å; Y52-C386 PolarHBondContact OH-O 2.97Å; Y52-C386 VanDerWaalsContact OH-O 3.1Å; L308-C386 HydrophobicContact CB-CB 4.25Å; L308-C386 CarbonylContact O-C 3.58Å; L308-C386 WeakPolarHBondContact O-CA 3.38Å; L308-C386 WeakPolarHBondContact O-CB 3.41Å; A380-C386 HydrophobicContact CB-CB 3.99Å; L384-C386 PolarHBondContact O-N 2.9Å; C386-F395 HydrophobicContact CB-CE2 3.79Å; C386-F395 HydrophobicContact CB-CZ 4.15Å
387	Y	95.9	Very high	95.5	Very high	17 Å²	17	29.9 Å²	29.9	7%	0.067	14%	0.14	C	C	.	.			trans	-67.4	138.2	173	179.8	-102.6	0	0	0	110	V43 R46 S47 F48 L308 F389	V43-Y387 HydrophobicContact CG1-CD1 4.16Å; V43-Y387 HydrophobicContact CG1-CD2 4.2Å; V43-Y387 HydrophobicContact CG1-CE1 3.88Å; V43-Y387 HydrophobicContact CG1-CE2 3.96Å; V43-Y387 HydrophobicContact CG1-CG 4.3Å; V43-Y387 HydrophobicContact CG2-CD1 4.37Å; V43-Y387 HydrophobicContact CG2-CG 4.41Å; R46-Y387 HydrophobicContact CB-CE2 4.41Å; S47-Y387 PolarHBondContact N-OH 3.37Å; S47-Y387 PolarHBondContact O-OH 2.99Å; F48-Y387 AromaticContact CE1-CD2 3.94Å; F48-Y387 HydrophobicContact CE1-CD2 3.94Å; F48-Y387 HydrophobicContact CE1-CE2 4.34Å; F48-Y387 HydrophobicContact CZ-CD2 4.11Å; F48-Y387 HydrophobicContact CZ-CE2 4.34Å; L308-Y387 PolarHBondContact O-N 2.62Å; Y387-F389 AromaticContact CD1-CD1 3.81Å; Y387-F389 HydrophobicContact CD1-CD1 3.81Å; Y387-F389 HydrophobicContact CD1-CD2 4.08Å; Y387-F389 AromaticContact CD1-CE1 3.66Å; Y387-F389 HydrophobicContact CD1-CE1 3.66Å; Y387-F389 AromaticContact CD1-CE2 3.93Å; Y387-F389 HydrophobicContact CD1-CE2 3.93Å; Y387-F389 HydrophobicContact CD1-CG 4.01Å; Y387-F389 AromaticContact CD1-CZ 3.7Å; Y387-F389 HydrophobicContact CD1-CZ 3.7Å; Y387-F389 HydrophobicContact CE1-CD1 4.26Å; Y387-F389 HydrophobicContact CE1-CE1 4.24Å; Y387-F389 HydrophobicContact CG-CE2 4.35Å; Y387-F389 HydrophobicContact CG-CZ 4.32Å; Y387-F389 WeakPolarHBondContact O-CD2 3.41Å; Y387-F389 PolarHBondContact O-N 3.24Å
388	P	94.4	Very high	95.3	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.019	16%	0.16	C	C	.	.			trans	-73.6	76.2	-178.2	30.4	-36.9	0	0	0	111.7	F48 R50 Y52	F48-P388 HydrophobicContact CD1-CG 4.43Å; R50-P388 HydrophobicContact CB-CB 4.38Å; Y52-P388 HydrophobicContact CD1-CB 3.94Å; Y52-P388 HydrophobicContact CE1-CB 3.79Å
389	F	92.7	Very high	95.2	Very high	32 Å²	32	37.6 Å²	37.6	14%	0.14	18%	0.176	C	C	.	.			trans	-63.9	149	172.1	-64.8	-80.6	0	0	0	111	V43 I55 P309 Y387 R392 P394	V43-F389 HydrophobicContact CG2-CE1 4.39Å; V43-F389 HydrophobicContact CG2-CZ 4.05Å; I55-F389 HydrophobicContact CD1-CB 4.28Å; I55-F389 HydrophobicContact CD1-CD2 4.25Å; I55-F389 HydrophobicContact CG1-CB 4.31Å; I55-F389 PolarHBondContact N-O 2.97Å; P309-F389 HydrophobicContact CG-CE2 4.46Å; P309-F389 HydrophobicContact CG-CZ 3.97Å; Y387-F389 AromaticContact CD1-CD1 3.81Å; Y387-F389 HydrophobicContact CD1-CD1 3.81Å; Y387-F389 HydrophobicContact CD1-CD2 4.08Å; Y387-F389 AromaticContact CD1-CE1 3.66Å; Y387-F389 HydrophobicContact CD1-CE1 3.66Å; Y387-F389 AromaticContact CD1-CE2 3.93Å; Y387-F389 HydrophobicContact CD1-CE2 3.93Å; Y387-F389 HydrophobicContact CD1-CG 4.01Å; Y387-F389 AromaticContact CD1-CZ 3.7Å; Y387-F389 HydrophobicContact CD1-CZ 3.7Å; Y387-F389 HydrophobicContact CE1-CD1 4.26Å; Y387-F389 HydrophobicContact CE1-CE1 4.24Å; Y387-F389 HydrophobicContact CG-CE2 4.35Å; Y387-F389 HydrophobicContact CG-CZ 4.32Å; Y387-F389 WeakPolarHBondContact O-CD2 3.41Å; Y387-F389 PolarHBondContact O-N 3.24Å; F389-R392 WeakPolarHBondContact CB-O 3.15Å; F389-P394 HydrophobicContact CD1-CG 4.35Å; F389-P394 HydrophobicContact CD2-CG 3.83Å; F389-P394 HydrophobicContact CE1-CG 4.08Å; F389-P394 HydrophobicContact CE2-CG 3.52Å; F389-P394 HydrophobicContact CG-CG 4.25Å; F389-P394 HydrophobicContact CZ-CG 3.66Å
390	Y	88.5	Confident	95.1	Very high	98 Å²	98	37.5 Å²	37.5	38%	0.384	18%	0.175	S	C	.	.	S	Bend	trans	-133.7	-23.4	-173.3	75.2	-67.1	0	0	0	114.5	R50	R50-Y390 PolarHBondContact NH2-OH 2.82Å
391	Q	89.4	Confident	95.2	Very high	140 Å²	140	37.8 Å²	37.8	65%	0.654	18%	0.177	S	C	*	.	S	Bend	trans	-96.5	-40.6	179.6	-73.8	176.9	-16.9	0	0	112.5
392	R	92.4	Very high	95.3	Very high	175 Å²	175	37.1 Å²	37.1	66%	0.66	17%	0.173	S	C	*	.			trans	-149.7	149.5	-175.5	-64.8	-170.1	-178.2	-168.4	-0.5	109.4	F389 P394	F389-R392 WeakPolarHBondContact CB-O 3.15Å; R392-P394 WeakPolarHBondContact O-CD 3.45Å
393	D	96.4	Very high	95.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.156	C	C	.	.			trans	-93	108.8	170.1	-168.8	-22.8	0	0	0	109.2	I55 R59 H375 F395 I396	I55-D393 HydrophobicContact CG1-CB 4.21Å; R59-D393 HydrophobicContact CB-CB 4.38Å; R59-D393 IonicContact CZ-OD2 3.72Å; R59-D393 VanDerWaalsContact CZ-OD2 3.25Å; R59-D393 IonicContact NE-OD2 3.86Å; R59-D393 PolarHBondContact NE-OD2 3.43Å; R59-D393 IonicContact NH2-OD2 2.72Å; R59-D393 PolarHBondContact NH2-OD2 3.31Å; H375-D393 IonicContact CE1-OD2 2.8Å; H375-D393 IonicContact NE2-OD1 3.68Å; H375-D393 IonicContact NE2-OD2 2.81Å; H375-D393 PolarHBondContact NE2-OD2 2.95Å; D393-F395 PolarHBondContact O-N 2.93Å; D393-F395 VanDerWaalsContact O-N 3.11Å; D393-F395 WeakPolarHBondContact OD1-CB 3.3Å; D393-F395 WeakPolarHBondContact OD1-CD2 3.41Å; D393-F395 PolarHBondContact OD1-N 2.84Å; D393-I396 HydrophobicContact CB-CD1 4Å; D393-I396 HydrophobicContact CB-CG1 4.2Å; D393-I396 PolarHBondContact O-N 3.36Å
394	P	96.3	Very high	95.7	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.058	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.5	-177	31.8	-37.4	0	0	0	113.2	R40 Y41 F389 R392	R40-P394 PolarHBondContact NH1-O 2.78Å; R40-P394 PolarHBondContact NH2-O 3.42Å; Y41-P394 HydrophobicContact CD1-CB 4.32Å; Y41-P394 HydrophobicContact CE1-CB 4.41Å; Y41-P394 WeakPolarHBondContact CE1-O 3.38Å; F389-P394 HydrophobicContact CD1-CG 4.35Å; F389-P394 HydrophobicContact CD2-CG 3.83Å; F389-P394 HydrophobicContact CE1-CG 4.08Å; F389-P394 HydrophobicContact CE2-CG 3.52Å; F389-P394 HydrophobicContact CG-CG 4.25Å; F389-P394 HydrophobicContact CZ-CG 3.66Å; R392-P394 WeakPolarHBondContact O-CD 3.45Å
395	F	97.9	Very high	95.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.4	-179.4	-56.1	-45	0	0	0	113.3	L308 P333 H375 L376 A377 A380 C386 D393	L308-F395 HydrophobicContact CB-CE1 4.11Å; L308-F395 HydrophobicContact CB-CE2 4.47Å; L308-F395 HydrophobicContact CB-CZ 3.57Å; P333-F395 HydrophobicContact CG-CD1 4.38Å; P333-F395 HydrophobicContact CG-CE1 4.21Å; H375-F395 CarbonylContact C-O 3.56Å; H375-F395 WeakPolarHBondContact CA-O 3.34Å; H375-F395 VanDerWaalsContact CE1-CB 3.41Å; H375-F395 WeakPolarHBondContact CE1-CB 3.25Å; L376-F395 HydrophobicContact CB-CB 4.13Å; L376-F395 HydrophobicContact CB-CD1 4.49Å; L376-F395 HydrophobicContact CD1-CD1 4.49Å; L376-F395 PolarHBondContact N-O 2.79Å; A377-F395 HydrophobicContact CB-CD2 4.4Å; A377-F395 HydrophobicContact CB-CG 4.37Å; A380-F395 HydrophobicContact CB-CE2 4.31Å; C386-F395 HydrophobicContact CB-CE2 3.79Å; C386-F395 HydrophobicContact CB-CZ 4.15Å; D393-F395 PolarHBondContact O-N 2.93Å; D393-F395 VanDerWaalsContact O-N 3.11Å; D393-F395 WeakPolarHBondContact OD1-CB 3.3Å; D393-F395 WeakPolarHBondContact OD1-CD2 3.41Å; D393-F395 PolarHBondContact OD1-N 2.84Å
396	I	98.3	Very high	96	Very high	4 Å²	4	31 Å²	31	2%	0.021	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-69.2	134.1	171.8	-65.4	171	0	0	0	110	R40 R59 E62 M63 D393 E398	R40-I396 PolarHBondContact NH1-O 2.85Å; R40-I396 PolarHBondContact NH2-O 2.86Å; R59-I396 HydrophobicContact CB-CD1 4.5Å; R59-I396 HydrophobicContact CG-CD1 4.18Å; E62-I396 HydrophobicContact CB-CD1 3.82Å; E62-I396 HydrophobicContact CG-CD1 3.89Å; M63-I396 HydrophobicContact CG-CD1 4.04Å; M63-I396 HydrophobicContact CG-CG1 4.49Å; M63-I396 HydrophobicContact SD-CD1 4.35Å; M63-I396 HydrophobicContact SD-CG1 4.36Å; M63-I396 HydrophobicContact SD-CG2 3.92Å; D393-I396 HydrophobicContact CB-CD1 4Å; D393-I396 HydrophobicContact CB-CG1 4.2Å; D393-I396 PolarHBondContact O-N 3.36Å; I396-E398 PolarHBondContact O-N 3.5Å
397	L	97.3	Very high	96	Very high	3 Å²	3	31 Å²	31	2%	0.016	14%	0.135	C	C	.	.			trans	-83.9	100.4	179	-57.1	-176.5	0	0	0	110.7	P184 L344 L371 R374 L376	P184-L397 HydrophobicContact CG-CB 3.84Å; P184-L397 WeakPolarHBondContact CG-O 3.33Å; L344-L397 HydrophobicContact CD2-CD2 3.49Å; L344-L397 VanDerWaalsContact CD2-CD2 3.49Å; L371-L397 HydrophobicContact CD1-CD1 3.55Å; R374-L397 HydrophobicContact CG-CB 3.77Å; R374-L397 VanDerWaalsContact CG-O 3.27Å; R374-L397 WeakPolarHBondContact CG-O 3.3Å; R374-L397 PolarHBondContact NE-O 2.71Å; R374-L397 PolarHBondContact O-N 3.41Å; L376-L397 HydrophobicContact CD1-CD2 4.32Å; L376-L397 HydrophobicContact CD2-CD2 3.77Å; L376-L397 HydrophobicContact CG-CD2 3.67Å
398	E	93.8	Very high	96.2	Very high	92 Å²	92	31.1 Å²	31.1	43%	0.43	14%	0.136	S	C	.	.	S	Bend	trans	-70.6	-45	178	-67.4	171.9	-157	0	0	111.2	R40 P184 I396	R40-E398 IonicContact CZ-OE1 3.76Å; R40-E398 IonicContact NE-OE1 2.74Å; R40-E398 IonicContact NH2-OE1 2.82Å; R40-E398 PolarHBondContact NH2-OE1 2.8Å; P184-E398 WeakPolarHBondContact CB-O 3.49Å; I396-E398 PolarHBondContact O-N 3.5Å
399	E	95.3	Very high	96.3	Very high	71 Å²	71	31 Å²	31	33%	0.332	14%	0.135	S	C	.	.	S	Bend	trans	-125.5	148.2	178.9	-53.1	175.3	-175.2	0	0	111.3	R37 R342	R37-E399 IonicContact CZ-OE1 3.48Å; R37-E399 IonicContact CZ-OE2 3.17Å; R37-E399 IonicContact NH1-OE1 2.73Å; R37-E399 IonicContact NH1-OE2 3.18Å; R37-E399 PolarHBondContact NH1-OE2 3.12Å; R37-E399 IonicContact NH2-OE1 3.45Å; R37-E399 PolarHBondContact NH2-OE1 3.49Å; R37-E399 IonicContact NH2-OE2 3.51Å; R342-E399 IonicContact CZ-OE2 2.81Å; R342-E399 IonicContact NH1-OE2 3.02Å; R342-E399 PolarHBondContact NH1-OE2 3.06Å
400	C	97.8	Very high	96.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.15	C	C	.	.			trans	-80.5	126.6	-176.8	-171.2	0	0	0	0	110	P184 S185 Q186 R342 V425	P184-C400 HydrophobicContact CB-CB 3.99Å; P184-C400 HydrophobicContact CG-CB 3.92Å; P184-C400 VanDerWaalsContact O-CB 3.3Å; P184-C400 WeakPolarHBondContact O-CB 2.98Å; S185-C400 PolarHBondContact O-N 3.06Å; Q186-C400 HydrophobicContact CB-CB 3.85Å; Q186-C400 HydrophobicContact CG-CB 4.05Å; R342-C400 PolarHBondContact NH1-O 3.37Å; R342-C400 PolarHBondContact NH2-O 2.72Å; C400-V425 WeakPolarHBondContact SG-CG2 3.44Å
401	P	98.2	Very high	97	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.032	15%	0.154	C	C	.	.			trans	-70.3	162.5	176.4	31.5	-36.6	0	0	0	111.7	Q186 L344 L371 Y404 V425	Q186-P401 PolarHBondContact NE2-O 3.44Å; L344-P401 HydrophobicContact CB-CB 3.73Å; L344-P401 HydrophobicContact CB-CG 4.13Å; L344-P401 HydrophobicContact CD2-CB 4.46Å; L344-P401 HydrophobicContact CD2-CG 4.14Å; L371-P401 HydrophobicContact CD1-CG 4.43Å; P401-Y404 HydrophobicContact CG-CD2 4.47Å; P401-Y404 HydrophobicContact CG-CG 4.32Å; P401-V425 HydrophobicContact CG-CG1 4.28Å; P401-V425 WeakPolarHBondContact O-CG2 3.4Å
402	H	98.6	Very high	97.4	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	13%	0.134	C	C	.	.	S	Bend	trans	-87.1	-34.6	167.4	-57.7	141.2	0	0	0	110.8	Q186 T187 V341 R342 L426	Q186-H402 PolarHBondContact NE2-CD2 2.95Å; T187-H402 PolarHBondContact O-NE2 3.29Å; V341-H402 HydrophobicContact CG1-CB 3.71Å; R342-H402 PolarHBondContact N-ND1 3.16Å; R342-H402 PolarHBondContact NH2-NE2 3.01Å; R342-H402 PolarHBondContact O-N 2.92Å; H402-L426 PolarHBondContact O-N 2.99Å
403	V	98.8	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.6	174.5	-175.9	0	0	0	0	108.4	V341 R342 F343 L344 L426 V428 V442 L447	V341-V403 HydrophobicContact CG1-CG2 4Å; R342-V403 PolarHBondContact O-N 3.24Å; F343-V403 WeakPolarHBondContact CA-O 3.39Å; F343-V403 HydrophobicContact CD1-CB 3.78Å; F343-V403 HydrophobicContact CD1-CG1 3.83Å; F343-V403 HydrophobicContact CD1-CG2 4.33Å; F343-V403 HydrophobicContact CD2-CB 4.38Å; F343-V403 HydrophobicContact CD2-CG2 4.41Å; F343-V403 HydrophobicContact CE1-CB 3.82Å; F343-V403 HydrophobicContact CE1-CG1 3.71Å; F343-V403 HydrophobicContact CE1-CG2 3.93Å; F343-V403 HydrophobicContact CE2-CB 4.4Å; F343-V403 HydrophobicContact CE2-CG2 4.01Å; F343-V403 HydrophobicContact CG-CB 4.08Å; F343-V403 HydrophobicContact CZ-CB 4.13Å; F343-V403 HydrophobicContact CZ-CG1 4.38Å; F343-V403 HydrophobicContact CZ-CG2 3.75Å; L344-V403 PolarHBondContact N-O 3.24Å; V403-L426 CarbonylContact C-O 3.57Å; V403-L426 WeakPolarHBondContact CA-O 3.38Å; V403-L426 HydrophobicContact CG1-CD2 4.38Å; V403-L426 HydrophobicContact CG2-CB 4.38Å; V403-L426 HydrophobicContact CG2-CD2 4.24Å; V403-V428 HydrophobicContact CG1-CG2 4.34Å; V403-V442 HydrophobicContact CG2-CG1 4.17Å; V403-L447 HydrophobicContact CG2-CD2 3.84Å
404	Y	98.9	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.1	175.6	-173.6	-137.9	0	0	0	109.6	L344 L367 T370 L371 L376 P401 L426 L427 V428	L344-Y404 HydrophobicContact CB-CD2 4.18Å; L344-Y404 HydrophobicContact CD2-CD2 4.12Å; L344-Y404 HydrophobicContact CD2-CE2 4.17Å; L344-Y404 HydrophobicContact CG-CD2 4.02Å; L344-Y404 HydrophobicContact CG-CE2 4.14Å; L344-Y404 VanDerWaalsContact O-CA 3.3Å; L344-Y404 WeakPolarHBondContact O-CA 3.28Å; L344-Y404 WeakPolarHBondContact O-CD2 3.34Å; L367-Y404 HydrophobicContact CD1-CD1 3.67Å; L367-Y404 HydrophobicContact CD1-CE1 3.25Å; L367-Y404 HydrophobicContact CD1-CE2 4.22Å; L367-Y404 HydrophobicContact CD1-CG 4.32Å; L367-Y404 HydrophobicContact CG-CD1 3.81Å; L367-Y404 HydrophobicContact CG-CE1 3.78Å; L367-Y404 WeakPolarHBondContact O-CE1 3.38Å; T370-Y404 WeakPolarHBondContact OG1-CE1 3.46Å; T370-Y404 PolarHBondContact OG1-OH 3.09Å; L371-Y404 HydrophobicContact CB-CD1 3.91Å; L371-Y404 HydrophobicContact CB-CE1 3.84Å; L371-Y404 HydrophobicContact CD1-CD1 4.37Å; L371-Y404 HydrophobicContact CD2-CD1 4.11Å; L371-Y404 HydrophobicContact CG-CD1 4.33Å; L376-Y404 HydrophobicContact CD2-CE2 3.49Å; L376-Y404 VanDerWaalsContact CD2-CE2 3.49Å; L376-Y404 VanDerWaalsContact CD2-OH 3.28Å; L376-Y404 WeakPolarHBondContact CD2-OH 3.22Å; P401-Y404 HydrophobicContact CG-CD2 4.47Å; P401-Y404 HydrophobicContact CG-CG 4.32Å; Y404-L426 PolarHBondContact N-O 3.29Å; Y404-L427 HydrophobicContact CD1-CD2 3.9Å; Y404-L427 HydrophobicContact CG-CD2 4.44Å; Y404-L427 VanDerWaalsContact O-CA 3.32Å; Y404-L427 WeakPolarHBondContact O-CA 3.49Å; Y404-V428 PolarHBondContact O-N 3.42Å
405	F	98.9	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155.2	-173.7	72.8	-90.8	0	0	0	113.4	L200 L244 A246 M297 Y334 F343 L344 G345 T346 V428 V430	L200-F405 HydrophobicContact CD1-CB 4.3Å; L200-F405 HydrophobicContact CD1-CG 4.37Å; L244-F405 HydrophobicContact CD2-CE1 3.62Å; L244-F405 HydrophobicContact CD2-CE2 4.04Å; L244-F405 HydrophobicContact CD2-CZ 3.31Å; L244-F405 HydrophobicContact CG-CZ 4.42Å; A246-F405 HydrophobicContact CB-CD2 4.49Å; A246-F405 HydrophobicContact CB-CE2 3.87Å; M297-F405 HydrophobicContact CE-CE2 4.44Å; M297-F405 HydrophobicContact CE-CZ 4.46Å; M297-F405 HydrophobicContact SD-CE2 4.05Å; M297-F405 HydrophobicContact SD-CZ 3.88Å; Y334-F405 HydrophobicContact CD1-CE1 4.02Å; Y334-F405 AromaticContact CD1-CZ 3.88Å; Y334-F405 HydrophobicContact CD1-CZ 3.88Å; F343-F405 HydrophobicContact CD1-CD1 4.49Å; L344-F405 VanDerWaalsContact O-CD1 3.26Å; L344-F405 WeakPolarHBondContact O-CD1 3.23Å; L344-F405 PolarHBondContact O-N 2.89Å; G345-F405 WeakPolarHBondContact CA-O 3.43Å; T346-F405 PolarHBondContact N-O 3.38Å; F405-V428 CarbonylContact C-O 3.43Å; F405-V428 WeakPolarHBondContact CA-O 3.27Å; F405-V428 HydrophobicContact CB-CB 4.1Å; F405-V428 WeakPolarHBondContact CB-O 3.46Å; F405-V430 HydrophobicContact CB-CG2 4.4Å; F405-V430 HydrophobicContact CD2-CG2 4.37Å
406	S	98.7	Very high	97.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.2	169.2	174.2	0	0	0	0	109.5	G348 V428 V430	G348-S406 WeakPolarHBondContact CA-OG 3.34Å; S406-V428 PolarHBondContact N-O 3.37Å; S406-V430 PolarHBondContact O-N 2.78Å
407	G	98.5	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	170.5	171.4	0	0	0	0	0	113.6	T346 G348 A409 V430	T346-G407 PolarHBondContact O-N 3.45Å; G348-G407 WeakPolarHBondContact CA-O 3.39Å; G407-A409 VanDerWaalsContact C-N 3.28Å; G407-A409 PolarHBondContact O-N 3.42Å; G407-V430 CarbonylContact C-O 3.52Å
408	N	98.2	Very high	97.9	Very high	19 Å²	19	38.6 Å²	38.6	10%	0.102	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.9	34.1	166.3	-55.8	-66.6	0	0	0	114.5	S202 G203 A246 G247 N248 S347 V430	S202-N408 PolarHBondContact OG-N 3.41Å; G203-N408 WeakPolarHBondContact CA-OD1 3.36Å; G203-N408 PolarHBondContact N-OD1 2.94Å; A246-N408 PolarHBondContact O-ND2 3.02Å; G247-N408 PolarHBondContact O-ND2 2.91Å; G247-N408 PolarHBondContact O-OD1 3.14Å; N248-N408 WeakPolarHBondContact CB-OD1 3.24Å; N248-N408 PolarHBondContact ND2-ND2 3.21Å; N248-N408 PolarHBondContact ND2-OD1 2.68Å; S347-N408 PolarHBondContact O-ND2 3.18Å; N408-V430 PolarHBondContact N-O 3.29Å; N408-V430 VanDerWaalsContact N-O 3.09Å
409	A	97.8	Very high	97.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	153.8	173.6	0	0	0	0	0	111.2	H363 G407 V411 V430 P431 D432	H363-A409 HydrophobicContact CB-CB 4.4Å; G407-A409 VanDerWaalsContact C-N 3.28Å; G407-A409 PolarHBondContact O-N 3.42Å; A409-V411 WeakPolarHBondContact CB-O 3.24Å; A409-V411 PolarHBondContact O-N 2.97Å; A409-V430 PolarHBondContact N-O 3.15Å; A409-P431 CarbonylContact O-C 3.46Å; A409-P431 WeakPolarHBondContact O-CA 3.41Å; A409-D432 PolarHBondContact O-N 3.35Å
410	P	97.1	Very high	97.6	Very high	68 Å²	68	35.1 Å²	35.1	44%	0.442	19%	0.194	S	C	.	.	S	Bend	trans	-68.5	-26.1	176.1	27.2	-34.6	0	0	0	112.8	H363 T436	H363-P410 WeakPolarHBondContact CE1-CD 3.35Å; H363-P410 WeakPolarHBondContact NE2-CD 3.42Å; P410-T436 WeakPolarHBondContact O-CG2 3.16Å
411	V	97.5	Very high	97.3	Very high	79 Å²	79	40.1 Å²	40.1	48%	0.479	22%	0.221	S	C	.	.	S	Bend	trans	-144.2	155.1	-178.8	-65	0	0	0	0	110.4	A409 E413 T429	A409-V411 WeakPolarHBondContact CB-O 3.24Å; A409-V411 PolarHBondContact O-N 2.97Å; V411-E413 HydrophobicContact CG2-CG 4.1Å; V411-T429 PolarHBondContact O-OG1 3.15Å
412	F	98.4	Very high	97	Very high	51 Å²	51	43.1 Å²	43.1	22%	0.224	25%	0.252	C	S	.	.			trans	-74.1	129.2	170	167.9	-104	0	0	0	110.6	V428 P431 T438 C440 C449 P451	F412-V428 HydrophobicContact CE2-CG1 4.27Å; F412-P431 HydrophobicContact CB-CG 4.06Å; F412-T438 HydrophobicContact CB-CG2 4.47Å; F412-C440 WeakPolarHBondContact CD2-SG 3.38Å; F412-C440 HydrophobicContact CE2-CB 4.24Å; F412-C449 HydrophobicContact CZ-CB 4.42Å; F412-P451 HydrophobicContact CD1-CB 3.73Å; F412-P451 HydrophobicContact CD1-CG 3.78Å; F412-P451 HydrophobicContact CD2-CB 4.46Å; F412-P451 HydrophobicContact CE1-CB 3.94Å; F412-P451 HydrophobicContact CE1-CG 3.68Å; F412-P451 HydrophobicContact CG-CB 4Å; F412-P451 HydrophobicContact CZ-CB 4.36Å; F412-P451 HydrophobicContact CZ-CG 4.36Å
413	E	98.5	Very high	96.9	Very high	60 Å²	60	43.2 Å²	43.2	28%	0.28	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.2	167.2	-52.3	177	86.2	0	0	109.2	S362 L364 V411 T429	S362-E413 PolarHBondContact OG-OE2 3.33Å; L364-E413 HydrophobicContact CB-CB 4.13Å; L364-E413 HydrophobicContact CD1-CB 4.33Å; L364-E413 HydrophobicContact CD2-CB 3.88Å; L364-E413 HydrophobicContact CG-CB 4.35Å; V411-E413 HydrophobicContact CG2-CG 4.1Å; E413-T429 WeakPolarHBondContact CA-OG1 3.49Å; E413-T429 VanDerWaalsContact CB-OG1 3.28Å; E413-T429 WeakPolarHBondContact CB-OG1 3.48Å; E413-T429 PolarHBondContact N-OG1 2.9Å; E413-T429 PolarHBondContact O-N 2.78Å; E413-T429 PolarHBondContact O-OG1 3.16Å
414	S	98.4	Very high	96.9	Very high	47 Å²	47	46.1 Å²	46.1	33%	0.329	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.6	169.7	78.3	0	0	0	0	111.4	L427	S414-L427 CarbonylContact C-O 3.57Å; S414-L427 WeakPolarHBondContact CA-O 3.48Å; S414-L427 WeakPolarHBondContact CB-O 2.92Å
415	K	98.4	Very high	96.9	Very high	93 Å²	93	46.1 Å²	46.1	40%	0.404	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	131.9	179.9	-179.2	-176.1	-178.7	-168	0	110	L364 E368 I417 L427	L364-K415 HydrophobicContact CD1-CB 4.37Å; L364-K415 HydrophobicContact CD2-CB 3.77Å; L364-K415 HydrophobicContact CD2-CD 4.42Å; L364-K415 HydrophobicContact CG-CB 4.39Å; E368-K415 IonicContact OE1-NZ 2.9Å; E368-K415 IonicContact OE2-NZ 3.79Å; E368-K415 PolarHBondContact OE2-NZ 2.83Å; K415-I417 HydrophobicContact CD-CG2 3.84Å; K415-I417 HydrophobicContact CG-CG2 3.89Å; K415-L427 PolarHBondContact N-O 2.75Å; K415-L427 WeakPolarHBondContact O-CB 3.47Å; K415-L427 PolarHBondContact O-N 3.45Å
416	L	98.4	Very high	96.9	Very high	81 Å²	81	46.3 Å²	46.3	42%	0.424	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.6	168.5	-166.1	68.2	0	0	0	108.4	E424 L426	L416-E424 HydrophobicContact CD1-CG 3.65Å; L416-E424 HydrophobicContact CD2-CG 4.2Å; L416-E424 WeakPolarHBondContact CD2-OE1 3.2Å; L416-E424 HydrophobicContact CG-CG 4Å; L416-L426 HydrophobicContact CD1-CB 4.14Å
417	I	98	Very high	96.9	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.036	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	153.9	176.1	68.5	163.4	0	0	0	110.6	L183 E368 L371 K415 E424 V425 L427	L183-I417 HydrophobicContact CD1-CD1 4.39Å; L183-I417 HydrophobicContact CD2-CD1 4.36Å; E368-I417 HydrophobicContact CG-CD1 4.2Å; L371-I417 HydrophobicContact CD2-CD1 3.74Å; K415-I417 HydrophobicContact CD-CG2 3.84Å; K415-I417 HydrophobicContact CG-CG2 3.89Å; I417-E424 WeakPolarHBondContact O-CA 3.42Å; I417-V425 HydrophobicContact CG1-CB 3.94Å; I417-V425 PolarHBondContact N-O 3.48Å; I417-V425 PolarHBondContact O-N 2.78Å; I417-L427 HydrophobicContact CD1-CD1 4.24Å; I417-L427 HydrophobicContact CD1-CD2 4.48Å; I417-L427 HydrophobicContact CD1-CG 4.48Å; I417-L427 HydrophobicContact CG1-CD1 4.45Å; I417-L427 HydrophobicContact CG1-CG 4.37Å; I417-L427 HydrophobicContact CG2-CD1 3.92Å; I417-L427 HydrophobicContact CG2-CG 4.37Å
418	Q	96.7	Very high	96.9	Very high	136 Å²	136	46.3 Å²	46.3	64%	0.636	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.9	174.9	-68.1	-179.7	-13.6	0	0	111	R372 Q423	R372-Q418 PolarHBondContact NH2-O 3.39Å; Q418-Q423 CarbonylContact C-O 3.29Å; Q418-Q423 WeakPolarHBondContact CA-O 3.44Å
419	G	94.7	Very high	96.9	Very high	14 Å²	14	45.4 Å²	45.4	14%	0.144	26%	0.262	C	S	.	.			trans	-91.3	168.6	171.5	0	0	0	0	0	112.4	D421 G422 Q423	G419-D421 PolarHBondContact O-N 3.03Å; G419-G422 PolarHBondContact O-N 3.41Å; G419-Q423 VanDerWaalsContact CA-OE1 3.31Å; G419-Q423 PolarHBondContact N-O 3.4Å
420	S	89.9	Confident	97	Very high	75 Å²	75	45.4 Å²	45.4	52%	0.524	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.5	177.9	41	0	0	0	0	113.3	D182	D182-S420 PolarHBondContact OD2-OG 3.37Å
421	D	89.9	Confident	97	Very high	106 Å²	106	42.2 Å²	42.2	57%	0.567	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	20.5	-176.9	-47	-58.3	0	0	0	112.1	R70 G419 Q423	R70-D421 IonicContact CZ-OD2 2.81Å; R70-D421 IonicContact NH1-OD2 2.72Å; R70-D421 IonicContact NH2-OD2 3.71Å; R70-D421 PolarHBondContact NH2-OD2 2.77Å; R70-D421 VanDerWaalsContact NH2-OD2 3.16Å; G419-D421 PolarHBondContact O-N 3.03Å; D421-Q423 VanDerWaalsContact C-N 3.34Å; D421-Q423 PolarHBondContact OD2-NE2 3.16Å
422	G	92.6	Very high	97	Very high	67 Å²	67	40.1 Å²	40.1	69%	0.691	23%	0.227	S	C	*	.	S	Bend	trans	78.8	13.4	-179.5	0	0	0	0	0	114.6	G419	G419-G422 PolarHBondContact O-N 3.41Å
423	Q	97.3	Very high	97	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.019	22%	0.217	C	C	.	.			trans	-62.6	144.8	171.3	-55.1	95.1	-29.4	0	0	110.4	L183 P184 Q186 Q418 G419 D421	L183-Q423 HydrophobicContact CB-CG 4.3Å; L183-Q423 HydrophobicContact CD1-CB 3.96Å; L183-Q423 PolarHBondContact O-NE2 3.36Å; P184-Q423 WeakPolarHBondContact O-CG 3.41Å; P184-Q423 PolarHBondContact O-NE2 2.76Å; Q186-Q423 HydrophobicContact CB-CB 4.09Å; Q186-Q423 HydrophobicContact CB-CG 3.69Å; Q186-Q423 VanDerWaalsContact OE1-CA 3.28Å; Q418-Q423 CarbonylContact C-O 3.29Å; Q418-Q423 WeakPolarHBondContact CA-O 3.44Å; G419-Q423 VanDerWaalsContact CA-OE1 3.31Å; G419-Q423 PolarHBondContact N-O 3.4Å; D421-Q423 VanDerWaalsContact C-N 3.34Å; D421-Q423 PolarHBondContact OD2-NE2 3.16Å
424	E	97.4	Very high	96.8	Very high	62 Å²	62	35.5 Å²	35.5	29%	0.29	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.9	175.7	-180	177.5	-112	0	0	109.9	Q186 L416 I417	Q186-E424 PolarHBondContact NE2-O 3.23Å; Q186-E424 PolarHBondContact OE1-O 3.37Å; L416-E424 HydrophobicContact CD1-CG 3.65Å; L416-E424 HydrophobicContact CD2-CG 4.2Å; L416-E424 WeakPolarHBondContact CD2-OE1 3.2Å; L416-E424 HydrophobicContact CG-CG 4Å; I417-E424 WeakPolarHBondContact O-CA 3.42Å
425	V	98.7	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125	-175.6	-167.6	0	0	0	0	110.6	L183 L371 C400 P401 I417 L427	L183-V425 HydrophobicContact CD1-CG2 4.11Å; L371-V425 HydrophobicContact CD2-CB 4.16Å; L371-V425 HydrophobicContact CD2-CG1 3.85Å; L371-V425 HydrophobicContact CD2-CG2 4.21Å; C400-V425 WeakPolarHBondContact SG-CG2 3.44Å; P401-V425 HydrophobicContact CG-CG1 4.28Å; P401-V425 WeakPolarHBondContact O-CG2 3.4Å; I417-V425 HydrophobicContact CG1-CB 3.94Å; I417-V425 PolarHBondContact N-O 3.48Å; I417-V425 PolarHBondContact O-N 2.78Å; V425-L427 HydrophobicContact CG1-CD2 4.09Å
426	L	98.8	Very high	96.4	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	113.5	169	176.7	65.5	0	0	0	109.5	H402 V403 Y404 L416 V428 V442 L447 C449	H402-L426 PolarHBondContact O-N 2.99Å; V403-L426 CarbonylContact C-O 3.57Å; V403-L426 WeakPolarHBondContact CA-O 3.38Å; V403-L426 HydrophobicContact CG1-CD2 4.38Å; V403-L426 HydrophobicContact CG2-CB 4.38Å; V403-L426 HydrophobicContact CG2-CD2 4.24Å; Y404-L426 PolarHBondContact N-O 3.29Å; L416-L426 HydrophobicContact CD1-CB 4.14Å; L426-V428 HydrophobicContact CD1-CG2 4.39Å; L426-V428 HydrophobicContact CD2-CG2 4.05Å; L426-V428 HydrophobicContact CG-CG2 3.81Å; L426-V442 HydrophobicContact CD2-CG1 3.79Å; L426-V442 HydrophobicContact CD2-CG2 4.5Å; L426-L447 WeakPolarHBondContact CD2-O 3.27Å; L426-C449 HydrophobicContact CD1-CB 4.43Å; L426-C449 HydrophobicContact CD2-CB 4.2Å
427	L	98.9	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.1	170.5	-54.9	-175	0	0	0	109.9	L364 L367 E368 L371 Y404 S414 K415 I417 V425	L364-L427 HydrophobicContact CD1-CB 3.75Å; L367-L427 HydrophobicContact CD2-CB 4.32Å; E368-L427 HydrophobicContact CB-CD1 3.58Å; E368-L427 HydrophobicContact CG-CD1 4.03Å; L371-L427 HydrophobicContact CD2-CD2 3.76Å; Y404-L427 HydrophobicContact CD1-CD2 3.9Å; Y404-L427 HydrophobicContact CG-CD2 4.44Å; Y404-L427 VanDerWaalsContact O-CA 3.32Å; Y404-L427 WeakPolarHBondContact O-CA 3.49Å; S414-L427 CarbonylContact C-O 3.57Å; S414-L427 WeakPolarHBondContact CA-O 3.48Å; S414-L427 WeakPolarHBondContact CB-O 2.92Å; K415-L427 PolarHBondContact N-O 2.75Å; K415-L427 WeakPolarHBondContact O-CB 3.47Å; K415-L427 PolarHBondContact O-N 3.45Å; I417-L427 HydrophobicContact CD1-CD1 4.24Å; I417-L427 HydrophobicContact CD1-CD2 4.48Å; I417-L427 HydrophobicContact CD1-CG 4.48Å; I417-L427 HydrophobicContact CG1-CD1 4.45Å; I417-L427 HydrophobicContact CG1-CG 4.37Å; I417-L427 HydrophobicContact CG2-CD1 3.92Å; I417-L427 HydrophobicContact CG2-CG 4.37Å; V425-L427 HydrophobicContact CG1-CD2 4.09Å
428	V	98.9	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	122.5	177.8	-171.6	0	0	0	0	110.9	L200 V403 Y404 F405 S406 F412 L426 V430 C440 C449	L200-V428 HydrophobicContact CD1-CG1 4.31Å; V403-V428 HydrophobicContact CG1-CG2 4.34Å; Y404-V428 PolarHBondContact O-N 3.42Å; F405-V428 CarbonylContact C-O 3.43Å; F405-V428 WeakPolarHBondContact CA-O 3.27Å; F405-V428 HydrophobicContact CB-CB 4.1Å; F405-V428 WeakPolarHBondContact CB-O 3.46Å; S406-V428 PolarHBondContact N-O 3.37Å; F412-V428 HydrophobicContact CE2-CG1 4.27Å; L426-V428 HydrophobicContact CD1-CG2 4.39Å; L426-V428 HydrophobicContact CD2-CG2 4.05Å; L426-V428 HydrophobicContact CG-CG2 3.81Å; V428-V430 HydrophobicContact CG1-CG2 4.1Å; V428-C440 HydrophobicContact CG1-CB 4.48Å; V428-C449 HydrophobicContact CG2-CB 4.06Å
429	T	98.8	Very high	96.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.3	164.7	56.1	0	0	0	0	108.4	H363 L364 L367 V411 E413	H363-T429 HydrophobicContact CB-CG2 3.8Å; L364-T429 HydrophobicContact CB-CG2 4.13Å; L364-T429 HydrophobicContact CD1-CG2 4.17Å; L367-T429 HydrophobicContact CD2-CG2 4.4Å; V411-T429 PolarHBondContact O-OG1 3.15Å; E413-T429 WeakPolarHBondContact CA-OG1 3.49Å; E413-T429 VanDerWaalsContact CB-OG1 3.28Å; E413-T429 WeakPolarHBondContact CB-OG1 3.48Å; E413-T429 PolarHBondContact N-OG1 2.9Å; E413-T429 PolarHBondContact O-N 2.78Å; E413-T429 PolarHBondContact O-OG1 3.16Å
430	V	98.8	Very high	96.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.7	179.1	-172.6	0	0	0	0	107.3	L200 S202 F405 S406 G407 N408 A409 V428	L200-V430 HydrophobicContact CB-CG1 4.12Å; L200-V430 HydrophobicContact CB-CG2 3.74Å; L200-V430 HydrophobicContact CD1-CG2 3.82Å; L200-V430 HydrophobicContact CG-CG2 4.43Å; S202-V430 WeakPolarHBondContact OG-CG1 3.25Å; S202-V430 PolarHBondContact OG-O 3.48Å; F405-V430 HydrophobicContact CB-CG2 4.4Å; F405-V430 HydrophobicContact CD2-CG2 4.37Å; S406-V430 PolarHBondContact O-N 2.78Å; G407-V430 CarbonylContact C-O 3.52Å; N408-V430 PolarHBondContact N-O 3.29Å; N408-V430 VanDerWaalsContact N-O 3.09Å; A409-V430 PolarHBondContact N-O 3.15Å; V428-V430 HydrophobicContact CG1-CG2 4.1Å
431	P	98.4	Very high	96.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	161	-174.6	31	-35.9	0	0	0	112.3	S202 A409 F412 F433 T436 T438	S202-P431 PolarHBondContact OG-O 2.99Å; A409-P431 CarbonylContact O-C 3.46Å; A409-P431 WeakPolarHBondContact O-CA 3.41Å; F412-P431 HydrophobicContact CB-CG 4.06Å; P431-F433 PolarHBondContact O-N 2.98Å; P431-T436 HydrophobicContact CB-CG2 4.03Å; P431-T438 HydrophobicContact CG-CG2 3.78Å
432	D	97.4	Very high	97.3	Very high	35 Å²	35	15.9 Å²	15.9	19%	0.187	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-68.1	110.4	168.9	174.4	73.2	0	0	0	110.2	G203 A409 S434 S435 T436	G203-D432 VanDerWaalsContact CA-OD1 3.27Å; G203-D432 WeakPolarHBondContact CA-OD1 3.42Å; A409-D432 PolarHBondContact O-N 3.35Å; D432-S434 VanDerWaalsContact C-N 3.31Å; D432-S434 PolarHBondContact O-N 2.74Å; D432-S435 PolarHBondContact O-N 2.81Å; D432-S435 PolarHBondContact O-OG 3.06Å; D432-S435 VanDerWaalsContact OD2-CB 3.26Å; D432-S435 WeakPolarHBondContact OD2-CB 3.02Å; D432-S435 PolarHBondContact OD2-N 2.82Å; D432-S435 PolarHBondContact OD2-OG 3.35Å; D432-T436 WeakPolarHBondContact O-CB 3.47Å; D432-T436 WeakPolarHBondContact O-CG2 3.27Å; D432-T436 PolarHBondContact O-N 3.2Å; D432-T436 PolarHBondContact O-OG1 2.83Å
433	F	97.1	Very high	97.5	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-64.6	-35.8	-175.1	-169	-84	0	0	0	112.1	S202 G203 L204 L217 L220 P431 S435 T436 Q437 T438 F454	S202-F433 VanDerWaalsContact O-CB 3.22Å; S202-F433 WeakPolarHBondContact O-CB 3.2Å; S202-F433 PolarHBondContact O-N 2.78Å; G203-F433 PolarHBondContact O-N 2.88Å; L204-F433 HydrophobicContact CD2-CB 4.32Å; L204-F433 HydrophobicContact CD2-CG 4.48Å; L217-F433 HydrophobicContact CB-CE1 3.91Å; L217-F433 HydrophobicContact CD1-CD1 4.33Å; L217-F433 HydrophobicContact CD1-CE1 4.07Å; L220-F433 HydrophobicContact CB-CE2 4.29Å; L220-F433 HydrophobicContact CB-CZ 4.07Å; L220-F433 HydrophobicContact CD2-CD2 4.23Å; L220-F433 HydrophobicContact CD2-CE2 3.72Å; L220-F433 HydrophobicContact CD2-CZ 4.08Å; P431-F433 PolarHBondContact O-N 2.98Å; F433-S435 PolarHBondContact O-N 3.39Å; F433-T436 PolarHBondContact O-N 3.33Å; F433-Q437 HydrophobicContact CZ-CB 4.48Å; F433-Q437 VanDerWaalsContact O-CA 3.24Å; F433-Q437 WeakPolarHBondContact O-CA 3.46Å; F433-Q437 PolarHBondContact O-N 3.39Å; F433-T438 WeakPolarHBondContact CD2-O 3.37Å; F433-F454 AromaticContact CE2-CD2 3.77Å; F433-F454 HydrophobicContact CE2-CD2 3.77Å; F433-F454 HydrophobicContact CE2-CE2 4.19Å; F433-F454 AromaticContact CZ-CD2 3.94Å; F433-F454 HydrophobicContact CZ-CD2 3.94Å
434	S	94.5	Very high	97.5	Very high	14 Å²	14	12.7 Å²	12.7	10%	0.098	7%	0.073	C	C	.	.	H	α-helix	trans	-60.4	-30.1	-179.5	-174.8	0	0	0	0	113.1	G203 D432	G203-S434 VanDerWaalsContact O-CB 3.31Å; G203-S434 WeakPolarHBondContact O-CB 3.34Å; G203-S434 PolarHBondContact O-N 2.91Å; D432-S434 VanDerWaalsContact C-N 3.31Å; D432-S434 PolarHBondContact O-N 2.74Å
435	S	93.3	Very high	97.5	Very high	64 Å²	64	14.5 Å²	14.5	45%	0.448	8%	0.077	S	C	.	.	H	α-helix	trans	-98.1	-34.5	176.5	55	0	0	0	0	114.2	D432 F433	D432-S435 PolarHBondContact O-N 2.81Å; D432-S435 PolarHBondContact O-OG 3.06Å; D432-S435 VanDerWaalsContact OD2-CB 3.26Å; D432-S435 WeakPolarHBondContact OD2-CB 3.02Å; D432-S435 PolarHBondContact OD2-N 2.82Å; D432-S435 PolarHBondContact OD2-OG 3.35Å; F433-S435 PolarHBondContact O-N 3.39Å
436	T	95.3	Very high	97.3	Very high	40 Å²	40	17.3 Å²	17.3	25%	0.245	9%	0.094	C	C	.	.	H	α-helix	trans	-106	-15.2	-170.5	65	0	0	0	0	114.3	P410 P431 D432 F433 T438	P410-T436 WeakPolarHBondContact O-CG2 3.16Å; P431-T436 HydrophobicContact CB-CG2 4.03Å; D432-T436 WeakPolarHBondContact O-CB 3.47Å; D432-T436 WeakPolarHBondContact O-CG2 3.27Å; D432-T436 PolarHBondContact O-N 3.2Å; D432-T436 PolarHBondContact O-OG1 2.83Å; F433-T436 PolarHBondContact O-N 3.33Å; T436-T438 PolarHBondContact O-N 2.89Å; T436-T438 VanDerWaalsContact O-N 3.09Å; T436-T438 PolarHBondContact O-OG1 3.26Å; T436-T438 PolarHBondContact OG1-N 2.92Å
437	Q	96.1	Very high	97.2	Very high	35 Å²	35	17.3 Å²	17.3	16%	0.164	9%	0.094	C	C	.	.			trans	46.7	37.3	-170.8	-55	-170.2	22.2	0	0	112.7	D212 F433 F454	D212-Q437 PolarHBondContact O-NE2 3Å; F433-Q437 HydrophobicContact CZ-CB 4.48Å; F433-Q437 VanDerWaalsContact O-CA 3.24Å; F433-Q437 WeakPolarHBondContact O-CA 3.46Å; F433-Q437 PolarHBondContact O-N 3.39Å; Q437-F454 HydrophobicContact CB-CB 4.5Å; Q437-F454 WeakPolarHBondContact CB-O 2.89Å; Q437-F454 WeakPolarHBondContact O-CD2 3.47Å; Q437-F454 PolarHBondContact O-N 3.42Å; Q437-F454 PolarHBondContact OE1-O 3.34Å
438	T	97.9	Very high	97.1	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.037	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.8	-173.7	-54.6	0	0	0	0	110.9	F412 P431 F433 T436 P451 V452 F453	F412-T438 HydrophobicContact CB-CG2 4.47Å; P431-T438 HydrophobicContact CG-CG2 3.78Å; F433-T438 WeakPolarHBondContact CD2-O 3.37Å; T436-T438 PolarHBondContact O-N 2.89Å; T436-T438 VanDerWaalsContact O-N 3.09Å; T436-T438 PolarHBondContact O-OG1 3.26Å; T436-T438 PolarHBondContact OG1-N 2.92Å; T438-P451 HydrophobicContact CG2-CB 3.9Å; T438-V452 WeakPolarHBondContact CA-O 3.3Å; T438-F453 HydrophobicContact CG2-CD1 3.81Å; T438-F453 HydrophobicContact CG2-CE1 3.6Å; T438-F453 HydrophobicContact CG2-CZ 4.21Å; T438-F453 WeakPolarHBondContact OG1-CD1 3.37Å; T438-F453 VanDerWaalsContact OG1-CE1 3.23Å; T438-F453 WeakPolarHBondContact OG1-CE1 3.3Å
439	A	98.3	Very high	97	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	169.3	167.3	0	0	0	0	0	110.4	L199 A201 L220 P451 V452 F454	L199-A439 HydrophobicContact CD1-CB 4.36Å; L199-A439 HydrophobicContact CD2-CB 4.28Å; L199-A439 HydrophobicContact CG-CB 4.36Å; A201-A439 HydrophobicContact CB-CB 4.35Å; L220-A439 HydrophobicContact CD1-CB 4.07Å; L220-A439 HydrophobicContact CD2-CB 4.49Å; A439-P451 CarbonylContact O-C 3.56Å; A439-P451 WeakPolarHBondContact O-CA 3.43Å; A439-V452 PolarHBondContact N-O 3.39Å; A439-V452 PolarHBondContact O-N 3.18Å; A439-F454 HydrophobicContact CB-CE2 4.33Å
440	C	98.6	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136	-179.5	-47.7	0	0	0	0	111.2	L199 L200 F412 V428 E450	L199-C440 CarbonylContact C-O 3.6Å; L199-C440 WeakPolarHBondContact CA-O 3.35Å; L200-C440 HydrophobicContact CB-CB 4.23Å; L200-C440 PolarHBondContact N-O 3.22Å; L200-C440 PolarHBondContact O-N 3.05Å; F412-C440 WeakPolarHBondContact CD2-SG 3.38Å; F412-C440 HydrophobicContact CE2-CB 4.24Å; V428-C440 HydrophobicContact CG1-CB 4.48Å; C440-E450 CarbonylContact C-O 3.56Å; C440-E450 WeakPolarHBondContact CA-O 3.27Å
441	L	98.3	Very high	96.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.2	174.1	-77	172.7	0	0	0	110.2	F2 F197 L199 I240 C449 E450 V452	F2-L441 HydrophobicContact CB-CD1 3.84Å; F2-L441 HydrophobicContact CD1-CD1 3.55Å; F2-L441 HydrophobicContact CD2-CD1 3.64Å; F2-L441 HydrophobicContact CE1-CD1 3.93Å; F2-L441 HydrophobicContact CE2-CD1 3.99Å; F2-L441 HydrophobicContact CG-CD1 3.39Å; F2-L441 HydrophobicContact CZ-CD1 4.14Å; F197-L441 HydrophobicContact CB-CD2 4.08Å; F197-L441 HydrophobicContact CD1-CB 4.18Å; L199-L441 HydrophobicContact CB-CD2 3.87Å; L199-L441 HydrophobicContact CD1-CD2 3.98Å; L199-L441 HydrophobicContact CG-CD2 4.23Å; I240-L441 HydrophobicContact CD1-CD2 3.95Å; I240-L441 HydrophobicContact CG1-CD2 3.94Å; L441-C449 WeakPolarHBondContact O-CA 3.49Å; L441-E450 PolarHBondContact N-O 3.32Å; L441-E450 PolarHBondContact O-N 3.12Å; L441-V452 HydrophobicContact CD1-CG2 3.48Å; L441-V452 VanDerWaalsContact CD1-CG2 3.48Å; L441-V452 HydrophobicContact CG-CG2 3.91Å
442	V	98.4	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.8	176.1	-179.1	0	0	0	0	109.5	F197 V198 L200 F343 V403 L426 R448 C449	F197-V442 VanDerWaalsContact CA-O 3.28Å; F197-V442 WeakPolarHBondContact CA-O 3.42Å; V198-V442 PolarHBondContact N-O 2.72Å; V198-V442 PolarHBondContact O-N 3.46Å; L200-V442 HydrophobicContact CD1-CG2 3.84Å; L200-V442 HydrophobicContact CG-CG2 4.26Å; F343-V442 HydrophobicContact CE1-CG1 4.4Å; F343-V442 HydrophobicContact CZ-CB 4.47Å; F343-V442 HydrophobicContact CZ-CG1 4.07Å; V403-V442 HydrophobicContact CG2-CG1 4.17Å; L426-V442 HydrophobicContact CD2-CG1 3.79Å; L426-V442 HydrophobicContact CD2-CG2 4.5Å; V442-R448 WeakPolarHBondContact CA-O 3.23Å; V442-C449 HydrophobicContact CG2-CB 4.33Å
443	N	97.4	Very high	96.7	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.7	173.4	-178.7	-45	0	0	0	110.5	D195 F197 R445 T446 L447 R448	D195-N443 VanDerWaalsContact CG-ND2 3.27Å; D195-N443 PolarHBondContact OD1-ND2 3.33Å; D195-N443 PolarHBondContact OD1-OD1 2.82Å; F197-N443 HydrophobicContact CD1-CB 3.97Å; F197-N443 HydrophobicContact CE1-CB 3.67Å; F197-N443 HydrophobicContact CZ-CB 4.3Å; N443-R445 VanDerWaalsContact C-N 3.3Å; N443-R445 PolarHBondContact O-N 3.14Å; N443-R445 WeakPolarHBondContact OD1-CA 3.18Å; N443-R445 WeakPolarHBondContact OD1-CB 3.28Å; N443-R445 PolarHBondContact OD1-N 3.14Å; N443-T446 WeakPolarHBondContact CB-OG1 3.02Å; N443-T446 PolarHBondContact OD1-N 3.32Å; N443-T446 PolarHBondContact OD1-OG1 2.98Å; N443-L447 WeakPolarHBondContact O-CA 3.36Å; N443-L447 PolarHBondContact O-N 3.3Å; N443-R448 PolarHBondContact N-O 3.49Å
444	L	96.9	Very high	96.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.2	-175.8	-61.4	-175.4	0	0	0	113.8	L32 R189 L192 K196 V198 I338 D339 V341 F343	L32-L444 HydrophobicContact CD1-CD1 3.98Å; R189-L444 PolarHBondContact NH1-O 3.16Å; L192-L444 HydrophobicContact CD1-CB 3.62Å; K196-L444 HydrophobicContact CB-CD1 4.25Å; K196-L444 WeakPolarHBondContact O-CG 3.07Å; K196-L444 PolarHBondContact O-N 2.86Å; V198-L444 HydrophobicContact CG2-CD1 4.14Å; V198-L444 HydrophobicContact CG2-CD2 3.79Å; V198-L444 HydrophobicContact CG2-CG 4.19Å; I338-L444 HydrophobicContact CG2-CD1 3.91Å; D339-L444 HydrophobicContact CB-CD1 4.03Å; V341-L444 HydrophobicContact CB-CD2 4.1Å; V341-L444 HydrophobicContact CG1-CD2 4.29Å; V341-L444 HydrophobicContact CG2-CB 4.09Å; V341-L444 HydrophobicContact CG2-CD2 4.12Å; F343-L444 HydrophobicContact CE2-CD2 3.55Å; F343-L444 HydrophobicContact CZ-CD2 3.6Å
445	R	95.8	Very high	96.4	Very high	99 Å²	99	39.8 Å²	39.8	37%	0.374	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-41.2	-179.5	-174.9	175.5	66	118.5	-3.2	111.7	R189 L192 D195 N443	R189-R445 PolarHBondContact NH1-O 2.84Å; R189-R445 PolarHBondContact NH2-O 3.09Å; L192-R445 HydrophobicContact CB-CB 4.14Å; L192-R445 HydrophobicContact CB-CG 4.18Å; L192-R445 WeakPolarHBondContact O-CD 3.49Å; L192-R445 WeakPolarHBondContact O-CG 3.42Å; D195-R445 IonicContact OD1-CZ 2.89Å; D195-R445 VanDerWaalsContact OD1-CZ 3.23Å; D195-R445 IonicContact OD1-NE 3.88Å; D195-R445 PolarHBondContact OD1-NE 3.19Å; D195-R445 IonicContact OD1-NH2 2.78Å; D195-R445 PolarHBondContact OD1-NH2 3.27Å; D195-R445 IonicContact OD2-CZ 3.82Å; D195-R445 IonicContact OD2-NE 3.16Å; D195-R445 IonicContact OD2-NH2 3.56Å; D195-R445 PolarHBondContact OD2-NH2 3.39Å; N443-R445 VanDerWaalsContact C-N 3.3Å; N443-R445 PolarHBondContact O-N 3.14Å; N443-R445 WeakPolarHBondContact OD1-CA 3.18Å; N443-R445 WeakPolarHBondContact OD1-CB 3.28Å; N443-R445 PolarHBondContact OD1-N 3.14Å
446	T	95.8	Very high	95.8	Very high	59 Å²	59	38.6 Å²	38.6	36%	0.362	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-11.3	-172.7	61.8	0	0	0	0	114.4	N443 R448	N443-T446 WeakPolarHBondContact CB-OG1 3.02Å; N443-T446 PolarHBondContact OD1-N 3.32Å; N443-T446 PolarHBondContact OD1-OG1 2.98Å; T446-R448 PolarHBondContact O-N 3.25Å
447	L	96	Very high	95.2	Very high	5 Å²	5	46 Å²	46	3%	0.026	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	37	-171.8	-69.2	178.5	0	0	0	113.1	V341 V403 L426 N443	V341-L447 HydrophobicContact CG1-CD2 3.98Å; V403-L447 HydrophobicContact CG2-CD2 3.84Å; L426-L447 WeakPolarHBondContact CD2-O 3.27Å; N443-L447 WeakPolarHBondContact O-CA 3.36Å; N443-L447 PolarHBondContact O-N 3.3Å
448	R	96.6	Very high	94.1	Very high	159 Å²	159	46.7 Å²	46.7	60%	0.6	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	142.9	170.5	-66.1	-170.1	177.3	-169.3	-0.2	110.5	V442 N443 T446	V442-R448 WeakPolarHBondContact CA-O 3.23Å; N443-R448 PolarHBondContact N-O 3.49Å; T446-R448 PolarHBondContact O-N 3.25Å
449	C	98.1	Very high	92.8	Very high	14 Å²	14	50.7 Å²	50.7	10%	0.095	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129	175.7	-165.1	0	0	0	0	109.5	F412 L426 V428 L441 V442	F412-C449 HydrophobicContact CZ-CB 4.42Å; L426-C449 HydrophobicContact CD1-CB 4.43Å; L426-C449 HydrophobicContact CD2-CB 4.2Å; V428-C449 HydrophobicContact CG2-CB 4.06Å; L441-C449 WeakPolarHBondContact O-CA 3.49Å; V442-C449 HydrophobicContact CG2-CB 4.33Å
450	E	96.9	Very high	91	Very high	22 Å²	22	56.9 Å²	56.9	10%	0.103	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.6	179	-72.6	162.3	-148.2	0	0	110.3	M1 F2 C440 L441	M1-E450 WeakPolarHBondContact CA-OE1 3.43Å; M1-E450 WeakPolarHBondContact CA-OE2 3.29Å; M1-E450 VanDerWaalsContact CB-CD 3.44Å; M1-E450 WeakPolarHBondContact CB-OE1 3.28Å; M1-E450 WeakPolarHBondContact CB-OE2 3.46Å; M1-E450 HydrophobicContact CE-CG 4.2Å; M1-E450 VanDerWaalsContact CG-OE1 3.25Å; M1-E450 WeakPolarHBondContact CG-OE1 3.29Å; M1-E450 HydrophobicContact SD-CG 3.91Å; F2-E450 PolarHBondContact N-OE2 3.38Å; C440-E450 CarbonylContact C-O 3.56Å; C440-E450 WeakPolarHBondContact CA-O 3.27Å; L441-E450 PolarHBondContact N-O 3.32Å; L441-E450 PolarHBondContact O-N 3.12Å
451	P	97.8	Very high	89	Confident	44 Å²	44	63.3 Å²	63.3	29%	0.286	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	145.9	173.7	32.6	-32.1	0	0	0	110.7	F412 T438 A439 F453	F412-P451 HydrophobicContact CD1-CB 3.73Å; F412-P451 HydrophobicContact CD1-CG 3.78Å; F412-P451 HydrophobicContact CD2-CB 4.46Å; F412-P451 HydrophobicContact CE1-CB 3.94Å; F412-P451 HydrophobicContact CE1-CG 3.68Å; F412-P451 HydrophobicContact CG-CB 4Å; F412-P451 HydrophobicContact CZ-CB 4.36Å; F412-P451 HydrophobicContact CZ-CG 4.36Å; T438-P451 HydrophobicContact CG2-CB 3.9Å; A439-P451 CarbonylContact O-C 3.56Å; A439-P451 WeakPolarHBondContact O-CA 3.43Å; P451-F453 HydrophobicContact CB-CD2 4.43Å; P451-F453 HydrophobicContact CB-CE1 4.36Å; P451-F453 HydrophobicContact CB-CE2 3.64Å; P451-F453 HydrophobicContact CB-CZ 3.59Å; P451-F453 HydrophobicContact CG-CE2 3.55Å; P451-F453 HydrophobicContact CG-CZ 3.73Å
452	V	96.8	Very high	86.7	Confident	28 Å²	28	68.5 Å²	68.5	17%	0.17	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.3	168.4	-173	0	0	0	0	107.6	M223 T438 A439 L441 F454	M223-V452 HydrophobicContact CE-CG1 4.43Å; T438-V452 WeakPolarHBondContact CA-O 3.3Å; A439-V452 PolarHBondContact N-O 3.39Å; A439-V452 PolarHBondContact O-N 3.18Å; L441-V452 HydrophobicContact CD1-CG2 3.48Å; L441-V452 VanDerWaalsContact CD1-CG2 3.48Å; L441-V452 HydrophobicContact CG-CG2 3.91Å; V452-F454 HydrophobicContact CB-CE2 4.16Å; V452-F454 HydrophobicContact CB-CZ 4.25Å; V452-F454 HydrophobicContact CG1-CE1 4.09Å; V452-F454 HydrophobicContact CG1-CE2 3.76Å; V452-F454 HydrophobicContact CG1-CZ 3.47Å; V452-F454 VanDerWaalsContact CG1-CZ 3.47Å
453	F	95.4	Very high	84.2	Confident	136 Å²	136	76 Å²	76	60%	0.596	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.4	-177.9	-56.9	-85.6	0	0	0	109.6	T438 P451	T438-F453 HydrophobicContact CG2-CD1 3.81Å; T438-F453 HydrophobicContact CG2-CE1 3.6Å; T438-F453 HydrophobicContact CG2-CZ 4.21Å; T438-F453 WeakPolarHBondContact OG1-CD1 3.37Å; T438-F453 VanDerWaalsContact OG1-CE1 3.23Å; T438-F453 WeakPolarHBondContact OG1-CE1 3.3Å; P451-F453 HydrophobicContact CB-CD2 4.43Å; P451-F453 HydrophobicContact CB-CE1 4.36Å; P451-F453 HydrophobicContact CB-CE2 3.64Å; P451-F453 HydrophobicContact CB-CZ 3.59Å; P451-F453 HydrophobicContact CG-CE2 3.55Å; P451-F453 HydrophobicContact CG-CZ 3.73Å
454	F	94	Very high	81.7	Confident	19 Å²	19	83.7 Å²	83.7	8%	0.083	43%	0.433	C	S	.	.			trans	-114	135.7	173.7	-55.7	-86.8	0	0	0	108	L219 L220 M223 F433 Q437 A439 V452	L219-F454 HydrophobicContact CB-CB 4.44Å; L219-F454 HydrophobicContact CB-CD1 3.71Å; L219-F454 HydrophobicContact CB-CE1 4.45Å; L219-F454 HydrophobicContact CB-CG 4.4Å; L220-F454 HydrophobicContact CB-CD2 4.17Å; L220-F454 HydrophobicContact CB-CE1 4.19Å; L220-F454 HydrophobicContact CB-CE2 3.82Å; L220-F454 HydrophobicContact CB-CZ 3.83Å; L220-F454 HydrophobicContact CD1-CE2 3.67Å; L220-F454 HydrophobicContact CD1-CZ 3.59Å; L220-F454 HydrophobicContact CG-CE2 4.26Å; L220-F454 HydrophobicContact CG-CZ 4.32Å; M223-F454 HydrophobicContact CB-CE1 4.17Å; M223-F454 HydrophobicContact CE-CE1 4.5Å; M223-F454 HydrophobicContact CE-CZ 3.88Å; F433-F454 AromaticContact CE2-CD2 3.77Å; F433-F454 HydrophobicContact CE2-CD2 3.77Å; F433-F454 HydrophobicContact CE2-CE2 4.19Å; F433-F454 AromaticContact CZ-CD2 3.94Å; F433-F454 HydrophobicContact CZ-CD2 3.94Å; Q437-F454 HydrophobicContact CB-CB 4.5Å; Q437-F454 WeakPolarHBondContact CB-O 2.89Å; Q437-F454 WeakPolarHBondContact O-CD2 3.47Å; Q437-F454 PolarHBondContact O-N 3.42Å; Q437-F454 PolarHBondContact OE1-O 3.34Å; A439-F454 HydrophobicContact CB-CE2 4.33Å; V452-F454 HydrophobicContact CB-CE2 4.16Å; V452-F454 HydrophobicContact CB-CZ 4.25Å; V452-F454 HydrophobicContact CG1-CE1 4.09Å; V452-F454 HydrophobicContact CG1-CE2 3.76Å; V452-F454 HydrophobicContact CG1-CZ 3.47Å; V452-F454 VanDerWaalsContact CG1-CZ 3.47Å
455	S	90.1	Very high	79.1	Confident	100 Å²	100	87.8 Å²	87.8	70%	0.699	46%	0.461	S	S	*	.			trans	-150.9	158	173.8	62.3	0	0	0	0	109.5
456	A	82.3	Confident	76.5	Confident	38 Å²	38	93.3 Å²	93.3	31%	0.314	48%	0.482	S	S	.	.			trans	-130.9	155.4	173.4	0	0	0	0	0	109.2	L215 S458	L215-A456 HydrophobicContact CD2-CB 3.22Å; L215-A456 HydrophobicContact CG-CB 3.93Å; A456-S458 PolarHBondContact O-N 3.08Å
457	F	82.4	Confident	74	Confident	196 Å²	196	95 Å²	95	86%	0.86	50%	0.496	S	S	*	.			trans	-58.7	132.8	175.6	62.7	-86.9	0	0	0	109.8
458	S	72.6	Confident	71.1	Confident	49 Å²	49	104.2 Å²	104.2	34%	0.343	56%	0.559	S	S	.	*			trans	-113.8	153.8	173.1	77.7	0	0	0	0	109.7	A456 D460	A456-S458 PolarHBondContact O-N 3.08Å; S458-D460 PolarHBondContact O-N 3.13Å
459	A	69.3	Low	69.9	Low	90 Å²	90	101.5 Å²	101.5	74%	0.744	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-15.4	-177.9	0	0	0	0	0	113.5
460	D	61.5	Low	68.4	Low	131 Å²	131	106.1 Å²	106.1	70%	0.701	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-12.6	-169.9	-63.7	-27.6	0	0	0	113.5	S458 D462	S458-D460 PolarHBondContact O-N 3.13Å; D460-D462 VanDerWaalsContact C-N 3.3Å; D460-D462 PolarHBondContact O-N 3.13Å
461	E	55.6	Low	66.8	Low	135 Å²	135	110.7 Å²	110.7	63%	0.631	61%	0.607	S	S	*	*	H	α-helix	trans	-75.2	-16.9	179.8	-72	-177.9	175	0	0	113.5
462	D	50.2	Low	64.9	Low	110 Å²	110	114.6 Å²	114.6	59%	0.588	63%	0.626	S	S	*	*	H	α-helix	trans	-83.5	-12.4	-179.7	-80.5	-27.7	0	0	0	114	D460 S465	D460-D462 VanDerWaalsContact C-N 3.3Å; D460-D462 PolarHBondContact O-N 3.13Å; D462-S465 PolarHBondContact O-OG 3.41Å
463	E	47.1	Very low	63	Low	156 Å²	156	120.1 Å²	120.1	73%	0.729	66%	0.655	S	S	*	*	H	α-helix	trans	-89.6	-33	179.4	-70.3	-153.9	160.1	0	0	113.6	S465 R466	E463-S465 VanDerWaalsContact C-N 3.29Å; E463-S465 PolarHBondContact O-N 3.4Å; E463-R466 PolarHBondContact O-N 3.35Å
464	E	45.3	Very low	60.8	Low	168 Å²	168	119 Å²	119	79%	0.785	66%	0.659	S	S	*	*	H	α-helix	trans	-72.4	-22.9	178	-73.5	-169.3	158.8	0	0	113	R466	E464-R466 VanDerWaalsContact C-N 3.33Å
465	S	42.1	Very low	58.4	Low	85 Å²	85	126.1 Å²	126.1	59%	0.594	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-7.2	177.3	62.3	0	0	0	0	114.2	D462 E463	D462-S465 PolarHBondContact O-OG 3.41Å; E463-S465 VanDerWaalsContact C-N 3.29Å; E463-S465 PolarHBondContact O-N 3.4Å
466	R	41.5	Very low	56	Low	216 Å²	216	128.2 Å²	128.2	82%	0.815	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	2.9	179.1	-71.2	-176.2	178.7	176.2	4.8	114.6	E463 E464	E463-R466 PolarHBondContact O-N 3.35Å; E464-R466 VanDerWaalsContact C-N 3.33Å
467	S	42.3	Very low	53.8	Low	95 Å²	95	135.7 Å²	135.7	66%	0.664	73%	0.732	S	S	*	*			trans	-115.8	48.8	176	58.3	0	0	0	0	113.1
468	C	35.7	Very low	51.2	Low	197 Å²	197	130.2 Å²	130.2	100%	1.331	72%	0.72	S	S	*	*			trans	-124.9	0	163.2	-86.8	0	0	0	0	110.9

Retrieved 468 of 468 residues in 251.8 ms (Link to these results)

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