A0A087XY51_POEFO Loading...

Coronin

AlphaFold DB , UniProt , Accession A0A087XY51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	41.2	Very low	70.7	Confident	244 Å²	244	133.1 Å²	133.1	100%	1.202	61%	0.606	S	S	*	*				0	136.3	0	-71	166.2	172.9	0	0	108.8	R3	M1-R3 PolarHBondContact O-N 3.07Å
2	R	39.1	Very low	72.6	Confident	244 Å²	244	133.2 Å²	133.2	92%	0.921	61%	0.607	S	S	*	*			trans	-69	117.4	165.4	-79.9	-179.5	173	169.7	-2.7	107.1	V4	R2-V4 PolarHBondContact O-N 3.29Å
3	R	49.5	Very low	74.4	Confident	233 Å²	233	123 Å²	123	88%	0.879	56%	0.561	S	S	*	*			trans	-63.2	108.3	175.3	-168.2	176.7	-172.4	177.6	2.4	107	M1 V5	M1-R3 PolarHBondContact O-N 3.07Å; R3-V5 PolarHBondContact O-N 3.03Å
4	V	56.2	Low	76	Confident	138 Å²	138	119.9 Å²	119.9	84%	0.836	55%	0.545	S	S	*	.			trans	-63.6	109.7	176	179.2	0	0	0	0	106.4	R2 R6	R2-V4 PolarHBondContact O-N 3.29Å; V4-R6 PolarHBondContact O-N 2.8Å
5	V	63.6	Low	77.4	Confident	108 Å²	108	113 Å²	113	66%	0.655	52%	0.521	S	S	*	.			trans	-75.9	116.3	177.9	-179.8	0	0	0	0	106.6	R3 Q7	R3-V5 PolarHBondContact O-N 3.03Å; V5-Q7 PolarHBondContact O-N 3.03Å
6	R	78.9	Confident	78.6	Confident	72 Å²	72	113.5 Å²	113.5	27%	0.272	52%	0.524	S	S	.	.			trans	-50.8	124.9	174	177.1	175.7	167.9	-90.7	-30.8	108.8	V4 S8 E294 H303	V4-R6 PolarHBondContact O-N 2.8Å; R6-S8 PolarHBondContact O-N 3.27Å; R6-E294 IonicContact CZ-OE1 3.43Å; R6-E294 IonicContact CZ-OE2 2.72Å; R6-E294 IonicContact NH1-OE1 3.54Å; R6-E294 IonicContact NH1-OE2 2.83Å; R6-E294 PolarHBondContact NH1-OE2 2.77Å; R6-E294 IonicContact NH2-OE1 3.43Å; R6-E294 PolarHBondContact NH2-OE1 2.8Å; R6-E294 IonicContact NH2-OE2 2.66Å; R6-E294 PolarHBondContact NH2-OE2 2.96Å; R6-H303 VanDerWaalsContact CD-CE1 3.44Å; R6-H303 WeakPolarHBondContact CD-CE1 3.3Å
7	Q	83.3	Confident	79.6	Confident	192 Å²	192	109.1 Å²	109.1	90%	0.897	51%	0.512	S	S	*	.			trans	-75.2	113.6	175.1	-68.5	-171.9	-2.2	0	0	108.5	V5	V5-Q7 PolarHBondContact O-N 3.03Å
8	S	89.5	Confident	80.5	Confident	20 Å²	20	104.9 Å²	104.9	14%	0.14	50%	0.495	C	S	.	.			trans	-127.9	127	173.6	164.8	0	0	0	0	108.7	R6 F10 R11 E294	R6-S8 PolarHBondContact O-N 3.27Å; S8-F10 PolarHBondContact O-N 3.44Å; S8-F10 PolarHBondContact OG-N 3.15Å; S8-F10 VanDerWaalsContact OG-N 3.1Å; S8-R11 VanDerWaalsContact O-CB 3.31Å; S8-R11 WeakPolarHBondContact O-CB 3.47Å; S8-R11 PolarHBondContact O-N 3.1Å; S8-R11 PolarHBondContact OG-N 3.47Å; S8-E294 WeakPolarHBondContact CB-OE2 3.47Å; S8-E294 VanDerWaalsContact OG-CD 3.32Å; S8-E294 PolarHBondContact OG-OE1 2.73Å; S8-E294 PolarHBondContact OG-OE2 3.23Å
9	K	91.3	Very high	81.2	Confident	98 Å²	98	107.1 Å²	107.1	43%	0.426	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.5	173.3	67.1	-171.8	-176.9	-175.4	0	112.4	D360 L361	K9-D360 PolarHBondContact NZ-O 3.44Å; K9-L361 HydrophobicContact CD-CD2 4.36Å
10	F	93.9	Very high	81.6	Confident	4 Å²	4	109.8 Å²	109.8	2%	0.018	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-3.5	-178.7	-60.1	-54.3	0	0	0	113.9	S8 H12 I13 T277 V279 E294 L305 I332 V350 L361	S8-F10 PolarHBondContact O-N 3.44Å; S8-F10 PolarHBondContact OG-N 3.15Å; S8-F10 VanDerWaalsContact OG-N 3.1Å; F10-H12 PolarHBondContact O-N 3.16Å; F10-I13 HydrophobicContact CB-CD1 3.6Å; F10-I13 HydrophobicContact CB-CG1 4.25Å; F10-I13 HydrophobicContact CD1-CD1 3.88Å; F10-I13 HydrophobicContact CD1-CG1 4.41Å; F10-I13 HydrophobicContact CG-CD1 4.08Å; F10-I13 WeakPolarHBondContact O-CG1 3.31Å; F10-I13 PolarHBondContact O-N 2.97Å; F10-T277 HydrophobicContact CE1-CG2 3.81Å; F10-T277 WeakPolarHBondContact CE2-O 3.48Å; F10-T277 HydrophobicContact CZ-CG2 3.6Å; F10-V279 HydrophobicContact CB-CG2 4.36Å; F10-V279 HydrophobicContact CD1-CG2 4.41Å; F10-V279 HydrophobicContact CD2-CG2 4.04Å; F10-V279 HydrophobicContact CE2-CG2 4.41Å; F10-V279 HydrophobicContact CG-CG2 4.02Å; F10-E294 HydrophobicContact CD2-CG 4.29Å; F10-L305 HydrophobicContact CB-CD1 3.95Å; F10-L305 HydrophobicContact CB-CD2 4.38Å; F10-I332 HydrophobicContact CD1-CD1 4.45Å; F10-V350 HydrophobicContact CD1-CG2 4.06Å; F10-V350 HydrophobicContact CE1-CG2 4.38Å; F10-L361 HydrophobicContact CE1-CD2 3.99Å
11	R	91.4	Very high	82.1	Confident	111 Å²	111	109.5 Å²	109.5	42%	0.419	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-31.1	-178.1	179	61.5	-165	106.5	-17.2	114.4	S8 L305	S8-R11 VanDerWaalsContact O-CB 3.31Å; S8-R11 WeakPolarHBondContact O-CB 3.47Å; S8-R11 PolarHBondContact O-N 3.1Å; S8-R11 PolarHBondContact OG-N 3.47Å; R11-L305 PolarHBondContact NH1-O 3.38Å
12	H	93.5	Very high	84.6	Confident	134 Å²	134	102.4 Å²	102.4	62%	0.62	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	20.2	-174.6	-61	-66.1	0	0	0	113.8	F10 F14 P351	F10-H12 PolarHBondContact O-N 3.16Å; H12-F14 PolarHBondContact O-N 3.11Å; H12-P351 HydrophobicContact CB-CG 3.81Å; H12-P351 WeakPolarHBondContact O-CD 3.16Å; H12-P351 WeakPolarHBondContact O-CG 3.42Å
13	I	96.3	Very high	87.3	Confident	1 Å²	1	90.9 Å²	90.9	1%	0.005	43%	0.432	C	S	.	.			trans	-53.7	135.3	165.8	-67.9	162.6	0	0	0	108.9	F10 V279 Y292 L305 I332 M348 T349 V350	F10-I13 HydrophobicContact CB-CD1 3.6Å; F10-I13 HydrophobicContact CB-CG1 4.25Å; F10-I13 HydrophobicContact CD1-CD1 3.88Å; F10-I13 HydrophobicContact CD1-CG1 4.41Å; F10-I13 HydrophobicContact CG-CD1 4.08Å; F10-I13 WeakPolarHBondContact O-CG1 3.31Å; F10-I13 PolarHBondContact O-N 2.97Å; I13-V279 HydrophobicContact CD1-CG2 4.22Å; I13-Y292 HydrophobicContact CB-CD2 4.45Å; I13-Y292 HydrophobicContact CB-CE2 3.86Å; I13-Y292 HydrophobicContact CG2-CD2 4.2Å; I13-Y292 HydrophobicContact CG2-CE2 3.63Å; I13-Y292 PolarHBondContact O-OH 3.43Å; I13-L305 HydrophobicContact CD1-CD1 4.02Å; I13-I332 HydrophobicContact CD1-CD1 3.34Å; I13-I332 HydrophobicContact CG1-CD1 3.68Å; I13-I332 HydrophobicContact CG2-CD1 4.44Å; I13-M348 HydrophobicContact CG2-CB 4.39Å; I13-M348 HydrophobicContact CG2-CE 3.85Å; I13-T349 WeakPolarHBondContact CA-O 3.34Å; I13-V350 HydrophobicContact CG1-CG2 3.87Å
14	F	96.4	Very high	89.6	Confident	79 Å²	79	80 Å²	80	35%	0.346	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.6	169.4	66.8	-81.5	0	0	0	110	H12 Q16 M348 T349 P351	H12-F14 PolarHBondContact O-N 3.11Å; F14-Q16 HydrophobicContact CE2-CB 4.35Å; F14-M348 WeakPolarHBondContact O-CA 3.36Å; F14-T349 HydrophobicContact CE1-CG2 4Å; F14-T349 HydrophobicContact CZ-CG2 4Å; F14-T349 PolarHBondContact N-O 2.63Å; F14-T349 PolarHBondContact O-N 3.07Å; F14-P351 HydrophobicContact CD1-CG 4.44Å; F14-P351 HydrophobicContact CE1-CB 4.08Å; F14-P351 HydrophobicContact CE1-CG 4.31Å
15	G	96.8	Very high	91.5	Very high	17 Å²	17	74 Å²	74	18%	0.175	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.9	172.4	0	0	0	0	0	110.7	F308 V347 M348	G15-F308 VanDerWaalsContact O-CD2 3.31Å; G15-F308 WeakPolarHBondContact O-CD2 3.43Å; G15-V347 CarbonylContact C-O 3.45Å; G15-V347 WeakPolarHBondContact CA-O 3.48Å; G15-M348 WeakPolarHBondContact CA-SD 3.24Å
16	Q	97.1	Very high	93	Very high	121 Å²	121	70.6 Å²	70.6	57%	0.565	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.7	174.6	-178.3	169	1.9	0	0	109.6	F14 I346 V347	F14-Q16 HydrophobicContact CE2-CB 4.35Å; Q16-I346 WeakPolarHBondContact O-CA 3.4Å; Q16-V347 PolarHBondContact N-O 3.47Å; Q16-V347 PolarHBondContact O-N 3.17Å
17	A	95.9	Very high	93.8	Very high	39 Å²	39	67.4 Å²	67.4	32%	0.322	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139.4	168.4	0	0	0	0	0	109.7	F308 E344 I346	A17-F308 HydrophobicContact CB-CZ 4.44Å; A17-E344 HydrophobicContact CB-CG 4.45Å; A17-I346 HydrophobicContact CB-CG1 4.45Å
18	V	94.8	Very high	94.3	Very high	34 Å²	34	64.8 Å²	64.8	21%	0.206	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-69.6	170.2	176.4	-60	0	0	0	0	111.6	Q22 P345 V347	V18-Q22 HydrophobicContact CB-CB 3.96Å; V18-Q22 HydrophobicContact CG2-CB 3.74Å; V18-P345 HydrophobicContact CB-CB 4.45Å; V18-P345 HydrophobicContact CG1-CB 3.86Å; V18-P345 HydrophobicContact CG2-CB 3.73Å; V18-P345 HydrophobicContact CG2-CG 3.86Å; V18-P345 WeakPolarHBondContact CG2-O 3.45Å; V18-P345 PolarHBondContact N-O 3.29Å; V18-V347 HydrophobicContact CG1-CG2 3.97Å
19	K	93.8	Very high	94.6	Very high	145 Å²	145	64 Å²	64	63%	0.63	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-70.7	157	175.2	-61.9	178.9	-177.9	175.9	0	110.9	D21 Q22 C23	K19-D21 VanDerWaalsContact C-N 3.28Å; K19-D21 WeakPolarHBondContact CB-OD1 3.47Å; K19-D21 PolarHBondContact O-N 3Å; K19-Q22 HydrophobicContact CB-CG 4.47Å; K19-Q22 WeakPolarHBondContact O-CA 3.38Å; K19-Q22 WeakPolarHBondContact O-CB 3.44Å; K19-Q22 PolarHBondContact O-N 3.06Å; K19-C23 PolarHBondContact O-N 3.24Å
20	Y	89.8	Confident	94.8	Very high	162 Å²	162	59.7 Å²	59.7	64%	0.635	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-58.1	-35.7	-175.2	-173	-98.7	0	0	0	113.8	Q22 C23 D25	Y20-Q22 PolarHBondContact O-N 3.47Å; Y20-C23 WeakPolarHBondContact O-CB 3.44Å; Y20-C23 PolarHBondContact O-N 3.21Å; Y20-C23 VanDerWaalsContact O-N 3.16Å; Y20-D25 WeakPolarHBondContact CE1-OD2 3.34Å; Y20-D25 WeakPolarHBondContact CE2-OD2 3.31Å; Y20-D25 PolarHBondContact OH-OD2 3.17Å; Y20-D25 VanDerWaalsContact OH-OD2 3.08Å
21	D	91.5	Very high	94.9	Very high	103 Å²	103	65.9 Å²	65.9	55%	0.551	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-65.1	-15	173.8	56.8	-45.1	0	0	0	114.2	K19 S66	K19-D21 VanDerWaalsContact C-N 3.28Å; K19-D21 WeakPolarHBondContact CB-OD1 3.47Å; K19-D21 PolarHBondContact O-N 3Å; D21-S66 WeakPolarHBondContact O-CB 3.5Å; D21-S66 PolarHBondContact O-OG 3.18Å
22	Q	93.4	Very high	95	Very high	95 Å²	95	62.4 Å²	62.4	44%	0.444	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-104.5	-2.5	178.1	-51.1	-177.1	-69.3	0	0	112.7	V18 K19 Y20	V18-Q22 HydrophobicContact CB-CB 3.96Å; V18-Q22 HydrophobicContact CG2-CB 3.74Å; K19-Q22 HydrophobicContact CB-CG 4.47Å; K19-Q22 WeakPolarHBondContact O-CA 3.38Å; K19-Q22 WeakPolarHBondContact O-CB 3.44Å; K19-Q22 PolarHBondContact O-N 3.06Å; Y20-Q22 PolarHBondContact O-N 3.47Å
23	C	96.4	Very high	95	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.02	30%	0.304	C	S	.	.	S	Bend	trans	-79.9	171.7	168.5	-65.2	0	0	0	0	110.9	K19 Y20 S66 G67 C343	K19-C23 PolarHBondContact O-N 3.24Å; Y20-C23 WeakPolarHBondContact O-CB 3.44Å; Y20-C23 PolarHBondContact O-N 3.21Å; Y20-C23 VanDerWaalsContact O-N 3.16Å; C23-S66 WeakPolarHBondContact O-CB 3.42Å; C23-G67 PolarHBondContact O-N 3.02Å; C23-C343 WeakPolarHBondContact CA-O 3.2Å
24	Y	97.6	Very high	94.9	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.4	171.9	-45.6	-102.9	0	0	0	108.8	V46 L61 L63 K65 G67 Y336 K342 C343 P345	Y24-V46 HydrophobicContact CD1-CG1 4.36Å; Y24-V46 HydrophobicContact CE1-CG1 3.81Å; Y24-V46 HydrophobicContact CE2-CG1 4.16Å; Y24-L61 HydrophobicContact CD1-CD1 3.62Å; Y24-L61 HydrophobicContact CE1-CD1 4.3Å; Y24-L61 HydrophobicContact CG-CD1 4.22Å; Y24-L63 WeakPolarHBondContact OH-CA 3.35Å; Y24-L63 PolarHBondContact OH-O 3.26Å; Y24-L63 VanDerWaalsContact OH-O 3.05Å; Y24-K65 VanDerWaalsContact CD1-O 3.29Å; Y24-K65 WeakPolarHBondContact CD1-O 3.36Å; Y24-G67 WeakPolarHBondContact CA-O 3.5Å; Y24-Y336 HydrophobicContact CE2-CD1 4.17Å; Y24-Y336 AromaticContact CE2-CE1 3.93Å; Y24-Y336 HydrophobicContact CE2-CE1 3.93Å; Y24-K342 CarbonylContact O-C 3.53Å; Y24-K342 WeakPolarHBondContact O-CA 3.25Å; Y24-C343 HydrophobicContact CD2-CB 3.98Å; Y24-C343 HydrophobicContact CG-CB 4.5Å; Y24-C343 PolarHBondContact N-O 2.7Å; Y24-C343 PolarHBondContact O-N 3.22Å; Y24-P345 HydrophobicContact CE2-CG 4.04Å
25	D	95.9	Very high	94.6	Very high	13 Å²	13	64.2 Å²	64.2	7%	0.07	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	162.5	-168.9	-71.4	-56.5	0	0	0	114.2	Y20 I27 G67 I69 K342	Y20-D25 WeakPolarHBondContact CE1-OD2 3.34Å; Y20-D25 WeakPolarHBondContact CE2-OD2 3.31Å; Y20-D25 PolarHBondContact OH-OD2 3.17Å; Y20-D25 VanDerWaalsContact OH-OD2 3.08Å; D25-I27 PolarHBondContact O-N 2.94Å; D25-G67 PolarHBondContact N-O 2.92Å; D25-I69 PolarHBondContact O-N 3Å; D25-K342 VanDerWaalsContact OD1-CB 3.26Å; D25-K342 WeakPolarHBondContact OD1-CB 3.46Å
26	D	95.1	Very high	94.5	Very high	36 Å²	36	63.9 Å²	63.9	19%	0.193	31%	0.307	C	S	.	.	S	Bend	trans	65.3	19.6	-177.9	-144.9	0.6	0	0	0	113.6	R68 K71 R341	D26-R68 HydrophobicContact CB-CG 3.99Å; D26-R68 IonicContact OD2-CZ 3.61Å; D26-R68 VanDerWaalsContact OD2-CZ 3.32Å; D26-R68 IonicContact OD2-NE 3.84Å; D26-R68 PolarHBondContact OD2-NE 3.32Å; D26-R68 IonicContact OD2-NH2 2.71Å; D26-R68 PolarHBondContact OD2-NH2 3.26Å; D26-K71 WeakPolarHBondContact OD2-CE 3.5Å; D26-R341 PolarHBondContact N-O 3.38Å
27	I	95.4	Very high	94.4	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	29%	0.287	C	S	.	.			trans	-84.1	118	177.2	-58.5	177.9	0	0	0	110.5	D25 V29 I48 I50 L59 L61 I69 R341	D25-I27 PolarHBondContact O-N 2.94Å; I27-V29 HydrophobicContact CG2-CG2 4.3Å; I27-V29 PolarHBondContact O-N 2.94Å; I27-I48 HydrophobicContact CD1-CD1 3.79Å; I27-I48 HydrophobicContact CG2-CD1 4.47Å; I27-I48 HydrophobicContact CG2-CG2 4.11Å; I27-I50 HydrophobicContact CG2-CG2 3.94Å; I27-L59 HydrophobicContact CB-CD2 4.47Å; I27-L59 HydrophobicContact CD1-CD2 3.82Å; I27-L59 HydrophobicContact CG1-CD2 3.89Å; I27-L59 HydrophobicContact CG2-CD2 3.84Å; I27-L61 HydrophobicContact CD1-CD1 4Å; I27-I69 HydrophobicContact CD1-CG1 4.05Å; I27-I69 HydrophobicContact CG1-CB 4.25Å; I27-I69 HydrophobicContact CG1-CG1 3.93Å; I27-R341 PolarHBondContact N-O 3.46Å; I27-R341 CarbonylContact O-C 3.59Å; I27-R341 VanDerWaalsContact O-CA 3.25Å; I27-R341 WeakPolarHBondContact O-CA 3.27Å
28	R	94.4	Very high	94.4	Very high	137 Å²	137	57.5 Å²	57.5	52%	0.517	27%	0.273	S	S	.	.			trans	-78.1	83.9	175.4	-65.8	-179.1	-66.9	-157.8	-4	111.5	I50 E51	R28-I50 CarbonylContact O-C 3.53Å; R28-I50 WeakPolarHBondContact O-CA 3.41Å; R28-I50 VanDerWaalsContact O-CB 3.23Å; R28-I50 WeakPolarHBondContact O-CB 3.01Å; R28-E51 HydrophobicContact CB-CB 4.41Å; R28-E51 PolarHBondContact O-N 3.12Å
29	V	96.5	Very high	94.6	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.018	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-60.4	139.6	177.3	176.8	0	0	0	0	110.8	I27 I48 R315 L338 H339	I27-V29 HydrophobicContact CG2-CG2 4.3Å; I27-V29 PolarHBondContact O-N 2.94Å; V29-I48 HydrophobicContact CG2-CG2 4.17Å; V29-R315 HydrophobicContact CG1-CB 4.21Å; V29-L338 HydrophobicContact CG1-CB 4.23Å; V29-L338 HydrophobicContact CG1-CD1 3.82Å; V29-L338 HydrophobicContact CG2-CB 4.25Å; V29-L338 HydrophobicContact CG2-CD1 4.31Å; V29-L338 HydrophobicContact CG2-CD2 4.4Å; V29-H339 WeakPolarHBondContact CG2-O 3.46Å
30	S	95.9	Very high	94.8	Very high	8 Å²	8	49.6 Å²	49.6	6%	0.056	24%	0.238	C	C	.	.			trans	-53.7	143.1	-179.4	-179	0	0	0	0	113.2	V32 I49	S30-V32 WeakPolarHBondContact OG-CG2 3.35Å; S30-V32 PolarHBondContact OG-N 2.92Å; S30-I49 PolarHBondContact N-O 2.87Å
31	R	94.1	Very high	95.3	Very high	134 Å²	134	42.2 Å²	42.2	51%	0.506	21%	0.209	S	C	.	.			trans	-104.6	0.8	179.9	-60	-178.1	164.6	-160.5	-7.6	113	E51 E340	R31-E51 IonicContact NE-OE2 3.14Å; R31-E340 IonicContact CZ-OE1 2.72Å; R31-E340 IonicContact NH2-OE1 2.7Å; R31-E340 PolarHBondContact NH2-OE1 3.33Å
32	V	94.4	Very high	95.5	Very high	38 Å²	38	37.4 Å²	37.4	23%	0.23	18%	0.184	C	C	.	.			trans	-58.8	136.3	178.5	177.8	0	0	0	0	109.9	S30 W34 F38 P82 L84	S30-V32 WeakPolarHBondContact OG-CG2 3.35Å; S30-V32 PolarHBondContact OG-N 2.92Å; V32-W34 HydrophobicContact CG1-CB 4.23Å; V32-W34 PolarHBondContact O-N 3.03Å; V32-W34 VanDerWaalsContact O-N 3.09Å; V32-F38 HydrophobicContact CB-CZ 4.23Å; V32-F38 WeakPolarHBondContact O-CE2 3.47Å; V32-F38 VanDerWaalsContact O-CZ 3.22Å; V32-F38 WeakPolarHBondContact O-CZ 3.25Å; V32-P82 HydrophobicContact CG2-CB 3.89Å; V32-P82 HydrophobicContact CG2-CG 4.46Å; V32-L84 HydrophobicContact CG1-CD2 3.8Å
33	T	92.6	Very high	95.7	Very high	140 Å²	140	33.7 Å²	33.7	86%	0.859	17%	0.168	S	C	*	.			trans	-81.9	85.8	175.6	49.8	0	0	0	0	109.9
34	W	94.6	Very high	95.7	Very high	54 Å²	54	35.3 Å²	35.3	21%	0.205	18%	0.175	C	C	.	.			trans	-140.8	147.6	176.8	-163.2	-108.9	0	0	0	110.6	V32 F38 L84 G134 K285	V32-W34 HydrophobicContact CG1-CB 4.23Å; V32-W34 PolarHBondContact O-N 3.03Å; V32-W34 VanDerWaalsContact O-N 3.09Å; W34-F38 HydrophobicContact CB-CE1 3.99Å; W34-F38 HydrophobicContact CB-CZ 4.07Å; W34-L84 HydrophobicContact CB-CD2 4.19Å; W34-L84 HydrophobicContact CD2-CD1 4.24Å; W34-L84 HydrophobicContact CD2-CD2 4.23Å; W34-L84 HydrophobicContact CE3-CD1 4.44Å; W34-L84 HydrophobicContact CG-CB 4.32Å; W34-L84 HydrophobicContact CG-CD2 4.04Å; W34-G134 PolarHBondContact NE1-O 2.98Å; W34-K285 PolarHBondContact O-NZ 2.88Å
35	D	91.1	Very high	95.7	Very high	58 Å²	58	35.2 Å²	35.2	31%	0.31	17%	0.174	S	C	.	.			trans	-96.8	18.8	-170.6	-69.2	-37.4	0	0	0	114.3	R223 L270	D35-R223 PolarHBondContact O-NH2 3.4Å; D35-L270 WeakPolarHBondContact O-CD2 3.5Å
36	S	93.8	Very high	95.8	Very high	10 Å²	10	34.6 Å²	34.6	7%	0.07	17%	0.171	C	C	.	.	S	Bend	trans	-76.4	174	168.8	67.1	0	0	0	0	112	F38 L84 D85 K285	S36-F38 VanDerWaalsContact C-N 3.32Å; S36-F38 PolarHBondContact O-N 3.49Å; S36-F38 WeakPolarHBondContact OG-CD1 3.49Å; S36-F38 WeakPolarHBondContact OG-CE1 3.29Å; S36-L84 WeakPolarHBondContact CB-O 3.39Å; S36-L84 PolarHBondContact OG-O 3.19Å; S36-D85 WeakPolarHBondContact CB-OD1 3.43Å; S36-K285 WeakPolarHBondContact O-CE 3.37Å; S36-K285 PolarHBondContact O-NZ 2.91Å
37	S	94.7	Very high	95.9	Very high	22 Å²	22	32.9 Å²	32.9	15%	0.154	16%	0.162	C	C	.	.			trans	-66.9	-27.2	-178.1	66	0	0	0	0	114.7	C39 G316 M317	S37-C39 PolarHBondContact O-N 3.05Å; S37-C39 VanDerWaalsContact O-N 3.13Å; S37-C39 PolarHBondContact OG-N 3.26Å; S37-C39 PolarHBondContact OG-O 3.47Å; S37-G316 CarbonylContact O-C 3.52Å; S37-G316 WeakPolarHBondContact O-CA 3.5Å; S37-M317 WeakPolarHBondContact CB-O 3.17Å; S37-M317 PolarHBondContact O-N 2.59Å
38	F	97.8	Very high	96.1	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.018	16%	0.16	C	C	.	.	S	Bend	trans	57.8	4.8	-165.7	-69	-3.5	0	0	0	115.8	V32 W34 S36 I49 K285 L338	V32-F38 HydrophobicContact CB-CZ 4.23Å; V32-F38 WeakPolarHBondContact O-CE2 3.47Å; V32-F38 VanDerWaalsContact O-CZ 3.22Å; V32-F38 WeakPolarHBondContact O-CZ 3.25Å; W34-F38 HydrophobicContact CB-CE1 3.99Å; W34-F38 HydrophobicContact CB-CZ 4.07Å; S36-F38 VanDerWaalsContact C-N 3.32Å; S36-F38 PolarHBondContact O-N 3.49Å; S36-F38 WeakPolarHBondContact OG-CD1 3.49Å; S36-F38 WeakPolarHBondContact OG-CE1 3.29Å; F38-I49 HydrophobicContact CB-CB 4.38Å; F38-I49 HydrophobicContact CD1-CD1 3.9Å; F38-I49 PolarHBondContact O-N 3.13Å; F38-K285 VanDerWaalsContact CD2-NZ 3.3Å; F38-K285 VanDerWaalsContact CE2-NZ 3.3Å; F38-K285 VanDerWaalsContact CG-NZ 3.33Å; F38-K285 VanDerWaalsContact CZ-NZ 3.34Å; F38-L338 HydrophobicContact CB-CD1 3.92Å; F38-L338 WeakPolarHBondContact O-CD1 3.17Å
39	C	98.3	Very high	96.3	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.027	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	123.9	-174	-168.5	0	0	0	0	109.5	S37 A47 G318 L338	S37-C39 PolarHBondContact O-N 3.05Å; S37-C39 VanDerWaalsContact O-N 3.13Å; S37-C39 PolarHBondContact OG-N 3.26Å; S37-C39 PolarHBondContact OG-O 3.47Å; C39-A47 WeakPolarHBondContact CA-O 3.46Å; C39-G318 WeakPolarHBondContact O-CA 3.11Å; C39-L338 HydrophobicContact CB-CD1 3.77Å; C39-L338 HydrophobicContact CB-CD2 4.26Å; C39-L338 HydrophobicContact CB-CG 3.91Å
40	A	98.6	Very high	96.3	Very high	8 Å²	8	27.2 Å²	27.2	7%	0.066	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.4	175.5	0	0	0	0	0	108.8	A47 I86 W88	A40-A47 PolarHBondContact N-O 3.4Å; A40-A47 WeakPolarHBondContact O-CA 3.37Å; A40-A47 PolarHBondContact O-N 2.97Å; A40-I86 HydrophobicContact CB-CB 4.44Å; A40-I86 HydrophobicContact CB-CD1 4.06Å; A40-I86 HydrophobicContact CB-CG1 3.9Å; A40-I86 WeakPolarHBondContact CB-O 3.32Å; A40-W88 VanDerWaalsContact C-CD1 3.43Å; A40-W88 VanDerWaalsContact C-NE1 3.26Å; A40-W88 PolarHBondContact O-NE1 2.74Å
41	V	98.4	Very high	96.1	Very high	7 Å²	7	31 Å²	31	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	143	-172.5	-158.8	0	0	0	0	109.5	F45 V46 L63 M320 P321 Y336	V41-F45 WeakPolarHBondContact CG1-O 3.32Å; V41-V46 HydrophobicContact CG1-CB 4.12Å; V41-V46 HydrophobicContact CG2-CG2 4.14Å; V41-L63 HydrophobicContact CG1-CD2 3.95Å; V41-M320 HydrophobicContact CB-CE 4.45Å; V41-M320 HydrophobicContact CG1-CE 3.45Å; V41-M320 VanDerWaalsContact CG1-CE 3.45Å; V41-M320 HydrophobicContact CG1-SD 4.36Å; V41-P321 WeakPolarHBondContact O-CD 3.1Å; V41-Y336 HydrophobicContact CB-CD2 4.35Å; V41-Y336 HydrophobicContact CG1-CD1 4.35Å; V41-Y336 HydrophobicContact CG1-CD2 4.06Å; V41-Y336 HydrophobicContact CG1-CE1 4.11Å; V41-Y336 HydrophobicContact CG1-CE2 3.84Å; V41-Y336 HydrophobicContact CG1-CG 4.33Å; V41-Y336 HydrophobicContact CG2-CD1 4.27Å; V41-Y336 HydrophobicContact CG2-CD2 3.82Å; V41-Y336 HydrophobicContact CG2-CE2 4.44Å; V41-Y336 HydrophobicContact CG2-CG 3.74Å
42	N	97.6	Very high	95.8	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.011	15%	0.151	C	C	.	.			trans	-136.1	178.8	170.7	80	17.1	0	0	0	109.7	K44 F45 W88 D93 M320	N42-K44 PolarHBondContact O-N 2.98Å; N42-K44 VanDerWaalsContact O-N 3.09Å; N42-K44 WeakPolarHBondContact OD1-CA 3.5Å; N42-K44 PolarHBondContact OD1-N 3.41Å; N42-F45 PolarHBondContact N-O 3.07Å; N42-F45 PolarHBondContact O-N 2.94Å; N42-F45 PolarHBondContact OD1-N 3.38Å; N42-W88 HydrophobicContact CB-CB 4.23Å; N42-W88 HydrophobicContact CB-CD2 4.25Å; N42-W88 HydrophobicContact CB-CG 3.95Å; N42-D93 VanDerWaalsContact ND2-C 3.34Å; N42-D93 WeakPolarHBondContact ND2-CA 3.29Å; N42-D93 PolarHBondContact ND2-O 3.17Å; N42-M320 WeakPolarHBondContact O-CE 3.43Å
43	P	96.4	Very high	95	Very high	18 Å²	18	31.5 Å²	31.5	12%	0.117	19%	0.187	C	C	.	.	S	Bend	trans	-63.5	-13.1	-176.9	-25.9	37	0	0	0	116.4	L63 R323 Y394	P43-L63 WeakPolarHBondContact O-CD1 2.88Å; P43-R323 HydrophobicContact CG-CB 3.73Å; P43-Y394 HydrophobicContact CB-CD2 3.54Å; P43-Y394 HydrophobicContact CB-CE2 3.31Å; P43-Y394 HydrophobicContact CB-CG 4.35Å; P43-Y394 HydrophobicContact CG-CD2 4.02Å; P43-Y394 HydrophobicContact CG-CE2 3.74Å
44	K	95.8	Very high	94.3	Very high	37 Å²	37	28.6 Å²	28.6	16%	0.161	19%	0.185	C	C	.	.	S	Bend	trans	-105.5	-36.1	177.4	-69.4	-167.7	178.2	-175.9	0	113.2	N42 P62 L63 D93 E112 Y394	N42-K44 PolarHBondContact O-N 2.98Å; N42-K44 VanDerWaalsContact O-N 3.09Å; N42-K44 WeakPolarHBondContact OD1-CA 3.5Å; N42-K44 PolarHBondContact OD1-N 3.41Å; K44-P62 WeakPolarHBondContact O-CA 3.46Å; K44-L63 PolarHBondContact O-N 3.18Å; K44-D93 HydrophobicContact CD-CB 4.16Å; K44-D93 HydrophobicContact CG-CB 4.2Å; K44-E112 IonicContact NZ-OE1 3.17Å; K44-E112 PolarHBondContact NZ-OE1 3.38Å; K44-Y394 WeakPolarHBondContact CE-OH 3.45Å
45	F	97.9	Very high	94.1	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.8	-167.3	-52.7	-73	0	0	0	114.3	V41 N42 V60 L61 P62 W88 D93 Q94 I110 P111 E112	V41-F45 WeakPolarHBondContact CG1-O 3.32Å; N42-F45 PolarHBondContact N-O 3.07Å; N42-F45 PolarHBondContact O-N 2.94Å; N42-F45 PolarHBondContact OD1-N 3.38Å; F45-V60 HydrophobicContact CB-CG1 3.98Å; F45-V60 HydrophobicContact CD1-CG1 4.15Å; F45-V60 HydrophobicContact CG-CG1 4.12Å; F45-L61 CarbonylContact C-O 3.48Å; F45-L61 VanDerWaalsContact CA-O 3.25Å; F45-L61 WeakPolarHBondContact CA-O 3.05Å; F45-P62 HydrophobicContact CD1-CB 4.45Å; F45-P62 HydrophobicContact CD1-CG 4.35Å; F45-P62 HydrophobicContact CE1-CG 4.28Å; F45-W88 HydrophobicContact CB-CH2 3.58Å; F45-W88 HydrophobicContact CB-CZ2 3.44Å; F45-W88 VanDerWaalsContact CB-CZ2 3.44Å; F45-W88 AromaticContact CD2-CH2 3.56Å; F45-W88 HydrophobicContact CD2-CH2 3.56Å; F45-W88 HydrophobicContact CD2-CZ2 4.27Å; F45-W88 AromaticContact CD2-CZ3 3.94Å; F45-W88 HydrophobicContact CD2-CZ3 3.94Å; F45-W88 AromaticContact CG-CH2 3.82Å; F45-W88 HydrophobicContact CG-CH2 3.82Å; F45-W88 HydrophobicContact CG-CZ2 4.21Å; F45-D93 VanDerWaalsContact CD2-O 3.3Å; F45-D93 WeakPolarHBondContact CD2-O 3.3Å; F45-D93 WeakPolarHBondContact CE2-O 2.87Å; F45-Q94 HydrophobicContact CE2-CG 4.19Å; F45-I110 HydrophobicContact CD1-CG2 4.42Å; F45-I110 HydrophobicContact CD2-CG2 4.49Å; F45-I110 HydrophobicContact CE1-CG2 4.07Å; F45-I110 HydrophobicContact CE2-CB 4.47Å; F45-I110 HydrophobicContact CE2-CG2 4.14Å; F45-I110 HydrophobicContact CZ-CG2 3.92Å; F45-P111 WeakPolarHBondContact CZ-O 3.36Å; F45-E112 WeakPolarHBondContact CZ-O 3.29Å
46	V	98.2	Very high	94.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128	161.1	56.4	0	0	0	0	109	Y24 V41 I48 L61 L63 Y336	Y24-V46 HydrophobicContact CD1-CG1 4.36Å; Y24-V46 HydrophobicContact CE1-CG1 3.81Å; Y24-V46 HydrophobicContact CE2-CG1 4.16Å; V41-V46 HydrophobicContact CG1-CB 4.12Å; V41-V46 HydrophobicContact CG2-CG2 4.14Å; V46-I48 HydrophobicContact CG2-CD1 4.05Å; V46-I48 HydrophobicContact CG2-CG1 3.96Å; V46-L61 HydrophobicContact CG1-CB 3.86Å; V46-L61 HydrophobicContact CG1-CD1 4.44Å; V46-L61 PolarHBondContact N-O 3.39Å; V46-L61 PolarHBondContact O-N 2.98Å; V46-L63 HydrophobicContact CB-CD2 4.08Å; V46-L63 HydrophobicContact CG1-CD2 4.37Å; V46-Y336 HydrophobicContact CB-CD1 4.32Å; V46-Y336 HydrophobicContact CB-CE1 4.34Å; V46-Y336 HydrophobicContact CG2-CD1 3.93Å; V46-Y336 HydrophobicContact CG2-CE1 4.45Å
47	A	98.5	Very high	94.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134	175.5	0	0	0	0	0	110.5	C39 A40 F58 L59 V60 I86 W88 I96	C39-A47 WeakPolarHBondContact CA-O 3.46Å; A40-A47 PolarHBondContact N-O 3.4Å; A40-A47 WeakPolarHBondContact O-CA 3.37Å; A40-A47 PolarHBondContact O-N 2.97Å; A47-F58 HydrophobicContact CB-CD2 4.42Å; A47-L59 CarbonylContact C-O 3.55Å; A47-L59 WeakPolarHBondContact CA-O 3.44Å; A47-V60 HydrophobicContact CB-CG2 4.17Å; A47-I86 HydrophobicContact CB-CD1 3.87Å; A47-I86 WeakPolarHBondContact O-CD1 3.47Å; A47-W88 HydrophobicContact CB-CZ2 3.79Å; A47-I96 HydrophobicContact CB-CD1 3.48Å; A47-I96 VanDerWaalsContact CB-CD1 3.48Å
48	I	98.4	Very high	94.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.2	-172	-61.5	170.5	0	0	0	109.2	I27 V29 V46 I50 F58 L59 L338 C343	I27-I48 HydrophobicContact CD1-CD1 3.79Å; I27-I48 HydrophobicContact CG2-CD1 4.47Å; I27-I48 HydrophobicContact CG2-CG2 4.11Å; V29-I48 HydrophobicContact CG2-CG2 4.17Å; V46-I48 HydrophobicContact CG2-CD1 4.05Å; V46-I48 HydrophobicContact CG2-CG1 3.96Å; I48-I50 HydrophobicContact CG2-CG2 4.32Å; I48-I50 PolarHBondContact O-N 2.77Å; I48-F58 CarbonylContact O-C 3.45Å; I48-F58 WeakPolarHBondContact O-CA 3.37Å; I48-F58 WeakPolarHBondContact O-CB 3.29Å; I48-L59 PolarHBondContact N-O 3.28Å; I48-L59 PolarHBondContact O-N 3.43Å; I48-L338 HydrophobicContact CD1-CD2 3.9Å; I48-L338 HydrophobicContact CG1-CD2 3.99Å; I48-L338 HydrophobicContact CG2-CD1 3.9Å; I48-L338 HydrophobicContact CG2-CD2 4.03Å; I48-C343 HydrophobicContact CD1-CB 3.68Å
49	I	98.1	Very high	94.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	124.7	173.3	-52.6	-175	0	0	0	109.2	S30 F38 V83 I86	S30-I49 PolarHBondContact N-O 2.87Å; F38-I49 HydrophobicContact CB-CB 4.38Å; F38-I49 HydrophobicContact CD1-CD1 3.9Å; F38-I49 PolarHBondContact O-N 3.13Å; I49-V83 HydrophobicContact CD1-CG1 4.01Å; I49-V83 HydrophobicContact CG1-CG1 4.37Å; I49-V83 HydrophobicContact CG2-CB 4.1Å; I49-V83 WeakPolarHBondContact CG2-O 3.21Å; I49-I86 HydrophobicContact CD1-CG1 4.09Å; I49-I86 HydrophobicContact CD1-CG2 4.27Å; I49-I86 HydrophobicContact CG1-CD1 3.74Å; I49-I86 HydrophobicContact CG1-CG1 3.83Å; I49-I86 HydrophobicContact CG1-CG2 4.09Å
50	I	96.3	Very high	94.5	Very high	25 Å²	25	23.3 Å²	23.3	13%	0.128	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	162.3	-174.8	59	168.1	0	0	0	112.3	I27 R28 I48 A52 A57 L59 T75	I27-I50 HydrophobicContact CG2-CG2 3.94Å; R28-I50 CarbonylContact O-C 3.53Å; R28-I50 WeakPolarHBondContact O-CA 3.41Å; R28-I50 VanDerWaalsContact O-CB 3.23Å; R28-I50 WeakPolarHBondContact O-CB 3.01Å; I48-I50 HydrophobicContact CG2-CG2 4.32Å; I48-I50 PolarHBondContact O-N 2.77Å; I50-A52 PolarHBondContact O-N 3.48Å; I50-A57 HydrophobicContact CD1-CB 4.22Å; I50-A57 HydrophobicContact CG1-CB 4.13Å; I50-A57 WeakPolarHBondContact CG1-O 3.48Å; I50-A57 PolarHBondContact N-O 3.31Å; I50-L59 HydrophobicContact CD1-CB 4.48Å; I50-L59 HydrophobicContact CG2-CB 3.85Å; I50-T75 HydrophobicContact CD1-CG2 3.56Å
51	E	92.2	Very high	94.5	Very high	87 Å²	87	22.9 Å²	22.9	41%	0.407	16%	0.161	S	C	.	.			trans	-72.7	121.4	170.8	-173.4	172.1	-155.7	0	0	110.6	R28 R31	R28-E51 HydrophobicContact CB-CB 4.41Å; R28-E51 PolarHBondContact O-N 3.12Å; R31-E51 IonicContact NE-OE2 3.14Å
52	A	88.1	Confident	94.4	Very high	43 Å²	43	22.9 Å²	22.9	36%	0.355	16%	0.16	S	C	.	.			trans	-118.5	141	178	0	0	0	0	0	110.5	I50 G54 A57	I50-A52 PolarHBondContact O-N 3.48Å; A52-G54 PolarHBondContact O-N 3.48Å; A52-A57 HydrophobicContact CB-CB 3.92Å
53	S	77.4	Confident	94.3	Very high	140 Å²	140	24.6 Å²	24.6	98%	0.979	17%	0.169	S	C	*	.	S	Bend	trans	-89.7	7.7	-171.5	55.6	0	0	0	0	115.2
54	G	77.4	Confident	94.2	Very high	80 Å²	80	31.3 Å²	31.3	83%	0.825	20%	0.199	S	C	*	.	S	Bend	trans	-177.9	44.7	-172.7	0	0	0	0	0	114.2	A52	A52-G54 PolarHBondContact O-N 3.48Å
55	G	91.1	Very high	94.1	Very high	18 Å²	18	33.8 Å²	33.8	19%	0.186	21%	0.21	C	C	.	.	S	Bend	trans	149.5	-156.2	-178.2	0	0	0	0	0	111.5
56	G	94.3	Very high	94	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.9	173.5	0	0	0	0	0	112	H79 G81	G56-H79 PolarHBondContact N-O 2.67Å; G56-G81 WeakPolarHBondContact CA-O 3.4Å; G56-G81 PolarHBondContact N-O 3.13Å
57	A	96.8	Very high	93.8	Very high	8 Å²	8	37.1 Å²	37.1	7%	0.066	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	151	172.5	0	0	0	0	0	112.8	I50 A52 V76 C77	I50-A57 HydrophobicContact CD1-CB 4.22Å; I50-A57 HydrophobicContact CG1-CB 4.13Å; I50-A57 WeakPolarHBondContact CG1-O 3.48Å; I50-A57 PolarHBondContact N-O 3.31Å; A52-A57 HydrophobicContact CB-CB 3.92Å; A57-V76 WeakPolarHBondContact CA-O 3.18Å; A57-V76 WeakPolarHBondContact CB-O 3.35Å; A57-C77 HydrophobicContact CB-CB 4.02Å
58	F	97.9	Very high	93.7	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.6	166.5	64	-86.7	0	0	0	110.6	A47 I48 V60 V76 V83 I86 I96 W108	A47-F58 HydrophobicContact CB-CD2 4.42Å; I48-F58 CarbonylContact O-C 3.45Å; I48-F58 WeakPolarHBondContact O-CA 3.37Å; I48-F58 WeakPolarHBondContact O-CB 3.29Å; F58-V60 HydrophobicContact CD2-CG2 3.66Å; F58-V60 HydrophobicContact CE2-CG2 3.53Å; F58-V76 HydrophobicContact CD1-CB 4.03Å; F58-V76 HydrophobicContact CD1-CG1 4.32Å; F58-V76 HydrophobicContact CD2-CB 4.13Å; F58-V76 HydrophobicContact CD2-CG2 4.19Å; F58-V76 HydrophobicContact CE1-CB 3.66Å; F58-V76 HydrophobicContact CE1-CG1 3.54Å; F58-V76 HydrophobicContact CE1-CG2 4.39Å; F58-V76 HydrophobicContact CE2-CB 3.77Å; F58-V76 HydrophobicContact CE2-CG1 4.23Å; F58-V76 HydrophobicContact CE2-CG2 3.62Å; F58-V76 HydrophobicContact CG-CB 4.26Å; F58-V76 HydrophobicContact CZ-CB 3.52Å; F58-V76 HydrophobicContact CZ-CG1 3.49Å; F58-V76 VanDerWaalsContact CZ-CG1 3.49Å; F58-V76 HydrophobicContact CZ-CG2 3.75Å; F58-V76 PolarHBondContact N-O 2.75Å; F58-V76 PolarHBondContact O-N 3.37Å; F58-V83 HydrophobicContact CD1-CG2 4.4Å; F58-I86 HydrophobicContact CD1-CG2 4.16Å; F58-I86 HydrophobicContact CD2-CG2 4.5Å; F58-I86 HydrophobicContact CE1-CG2 4.48Å; F58-I86 HydrophobicContact CG-CG2 4.17Å; F58-I96 HydrophobicContact CD2-CD1 4.48Å; F58-I96 HydrophobicContact CE2-CD1 3.9Å; F58-I96 HydrophobicContact CE2-CG2 3.95Å; F58-I96 HydrophobicContact CZ-CG2 3.95Å; F58-W108 AromaticContact CE1-NE1 3.73Å; F58-W108 AromaticContact CZ-CD1 3.69Å; F58-W108 HydrophobicContact CZ-CG 4.17Å; F58-W108 AromaticContact CZ-NE1 3.82Å
59	L	97.4	Very high	93.6	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.052	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.8	178.5	176.3	62.8	0	0	0	109.1	I27 A47 I48 I50 L61 I69 Y73	I27-L59 HydrophobicContact CB-CD2 4.47Å; I27-L59 HydrophobicContact CD1-CD2 3.82Å; I27-L59 HydrophobicContact CG1-CD2 3.89Å; I27-L59 HydrophobicContact CG2-CD2 3.84Å; A47-L59 CarbonylContact C-O 3.55Å; A47-L59 WeakPolarHBondContact CA-O 3.44Å; I48-L59 PolarHBondContact N-O 3.28Å; I48-L59 PolarHBondContact O-N 3.43Å; I50-L59 HydrophobicContact CD1-CB 4.48Å; I50-L59 HydrophobicContact CG2-CB 3.85Å; L59-L61 HydrophobicContact CD1-CD2 4.03Å; L59-L61 HydrophobicContact CD1-CG 4.26Å; L59-L61 HydrophobicContact CD2-CD1 3.94Å; L59-L61 HydrophobicContact CD2-CD2 4.42Å; L59-L61 HydrophobicContact CD2-CG 4.12Å; L59-L61 HydrophobicContact CG-CD1 4.33Å; L59-L61 HydrophobicContact CG-CD2 4.27Å; L59-L61 HydrophobicContact CG-CG 3.97Å; L59-I69 HydrophobicContact CD2-CG2 4.49Å; L59-Y73 HydrophobicContact CD1-CD1 3.33Å; L59-Y73 HydrophobicContact CD1-CE1 3.66Å; L59-Y73 HydrophobicContact CD1-CG 4.46Å
60	V	98.1	Very high	93.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.3	171.9	-174.5	0	0	0	0	110	F45 A47 F58 Y73 V76 W88 I110 L115	F45-V60 HydrophobicContact CB-CG1 3.98Å; F45-V60 HydrophobicContact CD1-CG1 4.15Å; F45-V60 HydrophobicContact CG-CG1 4.12Å; A47-V60 HydrophobicContact CB-CG2 4.17Å; F58-V60 HydrophobicContact CD2-CG2 3.66Å; F58-V60 HydrophobicContact CE2-CG2 3.53Å; V60-Y73 WeakPolarHBondContact O-CE1 3.42Å; V60-Y73 PolarHBondContact O-OH 2.85Å; V60-V76 HydrophobicContact CG2-CG2 3.95Å; V60-W88 HydrophobicContact CG1-CH2 3.89Å; V60-W88 HydrophobicContact CG1-CZ2 4.07Å; V60-I110 HydrophobicContact CG1-CG1 4.33Å; V60-I110 HydrophobicContact CG1-CG2 3.9Å; V60-I110 HydrophobicContact CG2-CD1 4.13Å; V60-L115 HydrophobicContact CB-CD1 4.31Å
61	L	97.4	Very high	93	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.2	-178.9	-59	169.2	0	0	0	110.2	Y24 I27 F45 V46 L59 K65 I69 Y73	Y24-L61 HydrophobicContact CD1-CD1 3.62Å; Y24-L61 HydrophobicContact CE1-CD1 4.3Å; Y24-L61 HydrophobicContact CG-CD1 4.22Å; I27-L61 HydrophobicContact CD1-CD1 4Å; F45-L61 CarbonylContact C-O 3.48Å; F45-L61 VanDerWaalsContact CA-O 3.25Å; F45-L61 WeakPolarHBondContact CA-O 3.05Å; V46-L61 HydrophobicContact CG1-CB 3.86Å; V46-L61 HydrophobicContact CG1-CD1 4.44Å; V46-L61 PolarHBondContact N-O 3.39Å; V46-L61 PolarHBondContact O-N 2.98Å; L59-L61 HydrophobicContact CD1-CD2 4.03Å; L59-L61 HydrophobicContact CD1-CG 4.26Å; L59-L61 HydrophobicContact CD2-CD1 3.94Å; L59-L61 HydrophobicContact CD2-CD2 4.42Å; L59-L61 HydrophobicContact CD2-CG 4.12Å; L59-L61 HydrophobicContact CG-CD1 4.33Å; L59-L61 HydrophobicContact CG-CD2 4.27Å; L59-L61 HydrophobicContact CG-CG 3.97Å; L61-K65 HydrophobicContact CD2-CD 4.14Å; L61-I69 HydrophobicContact CD1-CD1 3.78Å; L61-I69 HydrophobicContact CD1-CG1 3.89Å; L61-I69 HydrophobicContact CD2-CD1 4.01Å; L61-I69 HydrophobicContact CD2-CG1 4.46Å; L61-I69 HydrophobicContact CD2-CG2 4.18Å; L61-Y73 HydrophobicContact CD2-CD1 3.97Å; L61-Y73 HydrophobicContact CD2-CE1 3.5Å; L61-Y73 HydrophobicContact CD2-CE2 4.36Å
62	P	97	Very high	92.9	Very high	6 Å²	6	57.5 Å²	57.5	4%	0.039	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	140.9	162.1	-22	33.6	0	0	0	110.7	K44 F45 H64 K65	K44-P62 WeakPolarHBondContact O-CA 3.46Å; F45-P62 HydrophobicContact CD1-CB 4.45Å; F45-P62 HydrophobicContact CD1-CG 4.35Å; F45-P62 HydrophobicContact CE1-CG 4.28Å; P62-H64 WeakPolarHBondContact CB-CE1 3.29Å; P62-H64 PolarHBondContact O-N 3.41Å; P62-K65 WeakPolarHBondContact O-CB 3.37Å; P62-K65 PolarHBondContact O-N 2.97Å
63	L	95.9	Very high	93.2	Very high	38 Å²	38	56.9 Å²	56.9	20%	0.199	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.7	-175.8	-65.9	-176.1	0	0	0	114.7	Y24 V41 P43 K44 V46 K65 M320 Y336	Y24-L63 WeakPolarHBondContact OH-CA 3.35Å; Y24-L63 PolarHBondContact OH-O 3.26Å; Y24-L63 VanDerWaalsContact OH-O 3.05Å; V41-L63 HydrophobicContact CG1-CD2 3.95Å; P43-L63 WeakPolarHBondContact O-CD1 2.88Å; K44-L63 PolarHBondContact O-N 3.18Å; V46-L63 HydrophobicContact CB-CD2 4.08Å; V46-L63 HydrophobicContact CG1-CD2 4.37Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-M320 HydrophobicContact CD1-CE 3.63Å; L63-M320 HydrophobicContact CD2-CE 4.2Å; L63-Y336 HydrophobicContact CD2-CE1 4.14Å
64	H	93.8	Very high	94.1	Very high	159 Å²	159	51.1 Å²	51.1	74%	0.736	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.2	177.6	64.4	-101	0	0	0	113.3	P62 S66	P62-H64 WeakPolarHBondContact CB-CE1 3.29Å; P62-H64 PolarHBondContact O-N 3.41Å; H64-S66 VanDerWaalsContact C-N 3.3Å; H64-S66 PolarHBondContact O-N 3.3Å
65	K	94.1	Very high	95	Very high	89 Å²	89	48.6 Å²	48.6	39%	0.387	25%	0.252	S	S	.	.			trans	-92.1	57.7	-177.2	-161.8	-176.8	-178.4	104.2	0	111.1	Y24 L61 P62 L63 Y73	Y24-K65 VanDerWaalsContact CD1-O 3.29Å; Y24-K65 WeakPolarHBondContact CD1-O 3.36Å; L61-K65 HydrophobicContact CD2-CD 4.14Å; P62-K65 WeakPolarHBondContact O-CB 3.37Å; P62-K65 PolarHBondContact O-N 2.97Å; L63-K65 VanDerWaalsContact C-N 3.31Å; K65-Y73 HydrophobicContact CD-CE2 3.85Å
66	S	95.1	Very high	95.3	Very high	54 Å²	54	47.8 Å²	47.8	38%	0.378	24%	0.243	S	C	.	.			trans	-80.8	177.3	175.5	67.9	0	0	0	0	112.5	D21 C23 H64	D21-S66 WeakPolarHBondContact O-CB 3.5Å; D21-S66 PolarHBondContact O-OG 3.18Å; C23-S66 WeakPolarHBondContact O-CB 3.42Å; H64-S66 VanDerWaalsContact C-N 3.3Å; H64-S66 PolarHBondContact O-N 3.3Å
67	G	95.3	Very high	95.3	Very high	18 Å²	18	49.9 Å²	49.9	19%	0.186	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.4	-156.6	-173.9	0	0	0	0	0	112.7	C23 Y24 D25 I69	C23-G67 PolarHBondContact O-N 3.02Å; Y24-G67 WeakPolarHBondContact CA-O 3.5Å; D25-G67 PolarHBondContact N-O 2.92Å; G67-I69 PolarHBondContact O-N 2.99Å
68	R	95.9	Very high	95.1	Very high	189 Å²	189	50.6 Å²	50.6	71%	0.713	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.3	-177.6	-171.9	179.7	-178.6	-157.7	-2	111.4	D26	D26-R68 HydrophobicContact CB-CG 3.99Å; D26-R68 IonicContact OD2-CZ 3.61Å; D26-R68 VanDerWaalsContact OD2-CZ 3.32Å; D26-R68 IonicContact OD2-NE 3.84Å; D26-R68 PolarHBondContact OD2-NE 3.32Å; D26-R68 IonicContact OD2-NH2 2.71Å; D26-R68 PolarHBondContact OD2-NH2 3.26Å
69	I	95.5	Very high	95.1	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.051	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-85.3	137.5	175.5	-50.3	-53.3	0	0	0	109.4	D25 I27 L59 L61 G67 Y73	D25-I69 PolarHBondContact O-N 3Å; I27-I69 HydrophobicContact CD1-CG1 4.05Å; I27-I69 HydrophobicContact CG1-CB 4.25Å; I27-I69 HydrophobicContact CG1-CG1 3.93Å; L59-I69 HydrophobicContact CD2-CG2 4.49Å; L61-I69 HydrophobicContact CD1-CD1 3.78Å; L61-I69 HydrophobicContact CD1-CG1 3.89Å; L61-I69 HydrophobicContact CD2-CD1 4.01Å; L61-I69 HydrophobicContact CD2-CG1 4.46Å; L61-I69 HydrophobicContact CD2-CG2 4.18Å; G67-I69 PolarHBondContact O-N 2.99Å; I69-Y73 HydrophobicContact CG2-CD1 4.45Å; I69-Y73 HydrophobicContact CG2-CG 4.08Å
70	D	92.8	Very high	95	Very high	103 Å²	103	56.1 Å²	56.1	55%	0.551	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-73.3	144.4	177.6	-167.6	-87.5	0	0	0	111.4	S72 Y73	D70-S72 PolarHBondContact O-N 3.13Å; D70-S72 WeakPolarHBondContact OD1-CA 3.47Å; D70-S72 WeakPolarHBondContact OD1-CB 3.42Å; D70-S72 PolarHBondContact OD1-N 3.24Å; D70-S72 PolarHBondContact OD1-OG 3.45Å; D70-Y73 WeakPolarHBondContact O-CB 3.3Å; D70-Y73 PolarHBondContact O-N 3.26Å
71	K	88.7	Confident	94.9	Very high	139 Å²	139	56.6 Å²	56.6	60%	0.604	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.2	-178.6	-65.7	-178.9	-179.7	178.1	0	113.8	D26	D26-K71 WeakPolarHBondContact OD2-CE 3.5Å
72	S	91.6	Very high	94.9	Very high	100 Å²	100	58.7 Å²	58.7	70%	0.699	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	4.3	173.6	68.9	0	0	0	0	113.3	D70	D70-S72 PolarHBondContact O-N 3.13Å; D70-S72 WeakPolarHBondContact OD1-CA 3.47Å; D70-S72 WeakPolarHBondContact OD1-CB 3.42Å; D70-S72 PolarHBondContact OD1-N 3.24Å; D70-S72 PolarHBondContact OD1-OG 3.45Å
73	Y	94.8	Very high	95	Very high	29 Å²	29	58.5 Å²	58.5	11%	0.114	32%	0.316	C	S	.	.			trans	-59.5	134.8	-179.8	-176.1	-88	0	0	0	111.1	L59 V60 L61 K65 I69 D70	L59-Y73 HydrophobicContact CD1-CD1 3.33Å; L59-Y73 HydrophobicContact CD1-CE1 3.66Å; L59-Y73 HydrophobicContact CD1-CG 4.46Å; V60-Y73 WeakPolarHBondContact O-CE1 3.42Å; V60-Y73 PolarHBondContact O-OH 2.85Å; L61-Y73 HydrophobicContact CD2-CD1 3.97Å; L61-Y73 HydrophobicContact CD2-CE1 3.5Å; L61-Y73 HydrophobicContact CD2-CE2 4.36Å; K65-Y73 HydrophobicContact CD-CE2 3.85Å; I69-Y73 HydrophobicContact CG2-CD1 4.45Å; I69-Y73 HydrophobicContact CG2-CG 4.08Å; D70-Y73 WeakPolarHBondContact O-CB 3.3Å; D70-Y73 PolarHBondContact O-N 3.26Å
74	P	95.7	Very high	95.1	Very high	19 Å²	19	56.7 Å²	56.7	12%	0.123	31%	0.307	C	S	.	.			trans	-48.6	141.1	-179.6	-36.1	39.8	0	0	0	116.6	L115 V116	P74-L115 HydrophobicContact CB-CB 3.52Å; P74-L115 HydrophobicContact CB-CD1 4.32Å; P74-L115 HydrophobicContact CG-CB 4.45Å; P74-V116 WeakPolarHBondContact CG-O 3.28Å
75	T	96	Very high	95.3	Very high	27 Å²	27	50 Å²	50	17%	0.166	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.7	-179.9	56.6	0	0	0	0	111.2	I50 S118 M119	I50-T75 HydrophobicContact CD1-CG2 3.56Å; T75-S118 PolarHBondContact N-OG 2.83Å; T75-S118 CarbonylContact O-C 3.54Å; T75-S118 WeakPolarHBondContact O-CA 3.44Å; T75-S118 VanDerWaalsContact O-CB 3.3Å; T75-S118 WeakPolarHBondContact O-CB 3.49Å; T75-M119 PolarHBondContact O-N 3.44Å
76	V	97.6	Very high	95.6	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.7	162.9	-172.5	0	0	0	0	107.6	A57 F58 V60 W108 I110 L115	A57-V76 WeakPolarHBondContact CA-O 3.18Å; A57-V76 WeakPolarHBondContact CB-O 3.35Å; F58-V76 HydrophobicContact CD1-CB 4.03Å; F58-V76 HydrophobicContact CD1-CG1 4.32Å; F58-V76 HydrophobicContact CD2-CB 4.13Å; F58-V76 HydrophobicContact CD2-CG2 4.19Å; F58-V76 HydrophobicContact CE1-CB 3.66Å; F58-V76 HydrophobicContact CE1-CG1 3.54Å; F58-V76 HydrophobicContact CE1-CG2 4.39Å; F58-V76 HydrophobicContact CE2-CB 3.77Å; F58-V76 HydrophobicContact CE2-CG1 4.23Å; F58-V76 HydrophobicContact CE2-CG2 3.62Å; F58-V76 HydrophobicContact CG-CB 4.26Å; F58-V76 HydrophobicContact CZ-CB 3.52Å; F58-V76 HydrophobicContact CZ-CG1 3.49Å; F58-V76 VanDerWaalsContact CZ-CG1 3.49Å; F58-V76 HydrophobicContact CZ-CG2 3.75Å; F58-V76 PolarHBondContact N-O 2.75Å; F58-V76 PolarHBondContact O-N 3.37Å; V60-V76 HydrophobicContact CG2-CG2 3.95Å; V76-W108 HydrophobicContact CG1-CD2 3.3Å; V76-W108 VanDerWaalsContact CG1-CE2 3.48Å; V76-W108 HydrophobicContact CG1-CE3 3.35Å; V76-W108 HydrophobicContact CG1-CG 3.91Å; V76-W108 HydrophobicContact CG1-CH2 3.8Å; V76-W108 HydrophobicContact CG1-CZ2 3.73Å; V76-W108 HydrophobicContact CG1-CZ3 3.6Å; V76-I110 HydrophobicContact CG2-CD1 4Å; V76-L115 HydrophobicContact CG2-CD1 3.9Å
77	C	93.4	Very high	95.7	Very high	47 Å²	47	45.6 Å²	45.6	32%	0.318	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	74.8	-167.7	56.4	0	0	0	0	112.3	A57 M119 S120	A57-C77 HydrophobicContact CB-CB 4.02Å; C77-M119 PolarHBondContact N-O 3.39Å; C77-S120 WeakPolarHBondContact O-CA 3.49Å
78	G	92.9	Very high	95.9	Very high	23 Å²	23	45.4 Å²	45.4	24%	0.237	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-11.8	166.7	0	0	0	0	0	114.7	S120	G78-S120 VanDerWaalsContact CA-O 3.31Å; G78-S120 WeakPolarHBondContact CA-O 3.41Å
79	H	97.4	Very high	96	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	139.9	176.8	-81.5	-64.9	0	0	0	111.8	G56 V83 S98 S100 D102 T104 M106	G56-H79 PolarHBondContact N-O 2.67Å; H79-V83 HydrophobicContact CB-CG2 4.23Å; H79-S98 PolarHBondContact CD2-OG 3.5Å; H79-S98 PolarHBondContact NE2-O 3.26Å; H79-S98 PolarHBondContact NE2-OG 2.96Å; H79-S100 WeakPolarHBondContact CE1-CB 3.41Å; H79-S100 WeakPolarHBondContact ND1-CB 3.37Å; H79-S100 PolarHBondContact ND1-OG 3.34Å; H79-D102 VanDerWaalsContact CA-OD2 3.27Å; H79-D102 WeakPolarHBondContact CA-OD2 3.37Å; H79-D102 VanDerWaalsContact CB-OD2 3.23Å; H79-D102 WeakPolarHBondContact CB-OD2 3.27Å; H79-D102 IonicContact CE1-OD1 3.74Å; H79-D102 IonicContact CG-OD2 2.7Å; H79-D102 IonicContact ND1-OD1 3.25Å; H79-D102 PolarHBondContact ND1-OD1 3.46Å; H79-D102 IonicContact ND1-OD2 2.86Å; H79-D102 PolarHBondContact ND1-OD2 3.33Å; H79-T104 PolarHBondContact CE1-OG1 3.42Å; H79-T104 VanDerWaalsContact CE1-OG1 3.28Å; H79-T104 PolarHBondContact ND1-OG1 3.26Å; H79-M106 VanDerWaalsContact CE1-CG 3.46Å; H79-M106 WeakPolarHBondContact CE1-CG 3.13Å
80	T	96.6	Very high	96	Very high	120 Å²	120	38.2 Å²	38.2	74%	0.736	23%	0.225	S	C	*	.	S	Bend	trans	-92.4	-14.4	-179.3	61	0	0	0	0	112.9	D102	T80-D102 PolarHBondContact N-OD2 3.48Å; T80-D102 WeakPolarHBondContact OG1-CB 3.21Å
81	G	96.4	Very high	96.1	Very high	10 Å²	10	34.6 Å²	34.6	10%	0.103	21%	0.205	C	C	.	.	S	Bend	trans	-120.9	166.9	169.9	0	0	0	0	0	111.8	G56 V83 S100 D102	G56-G81 WeakPolarHBondContact CA-O 3.4Å; G56-G81 PolarHBondContact N-O 3.13Å; G81-V83 PolarHBondContact O-N 3.09Å; G81-S100 PolarHBondContact O-OG 2.83Å; G81-D102 PolarHBondContact N-OD2 3.15Å
82	P	97.3	Very high	96.4	Very high	43 Å²	43	29 Å²	29	28%	0.279	18%	0.182	S	C	.	.			trans	-52.5	134.8	176.1	-28.4	33.8	0	0	0	113.9	V32 L84 S100 E101	V32-P82 HydrophobicContact CG2-CB 3.89Å; V32-P82 HydrophobicContact CG2-CG 4.46Å; P82-L84 PolarHBondContact O-N 2.91Å; P82-S100 WeakPolarHBondContact O-CA 3.42Å; P82-S100 PolarHBondContact O-OG 3.05Å; P82-E101 HydrophobicContact CB-CG 4.29Å; P82-E101 WeakPolarHBondContact CD-OE2 3.36Å; P82-E101 WeakPolarHBondContact CG-OE2 3.43Å; P82-E101 PolarHBondContact O-N 3.4Å
83	V	98.3	Very high	96.6	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.3	171.7	-175.9	0	0	0	0	108.6	I49 F58 H79 G81 I86 G99	I49-V83 HydrophobicContact CD1-CG1 4.01Å; I49-V83 HydrophobicContact CG1-CG1 4.37Å; I49-V83 HydrophobicContact CG2-CB 4.1Å; I49-V83 WeakPolarHBondContact CG2-O 3.21Å; F58-V83 HydrophobicContact CD1-CG2 4.4Å; H79-V83 HydrophobicContact CB-CG2 4.23Å; G81-V83 PolarHBondContact O-N 3.09Å; V83-I86 HydrophobicContact CG1-CG2 3.84Å; V83-G99 WeakPolarHBondContact CG1-O 3.38Å
84	L	98.1	Very high	96.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-33.2	-177.5	-65.2	-175.8	0	0	0	112.3	V32 W34 S36 P82 G99 E101 R132	V32-L84 HydrophobicContact CG1-CD2 3.8Å; W34-L84 HydrophobicContact CB-CD2 4.19Å; W34-L84 HydrophobicContact CD2-CD1 4.24Å; W34-L84 HydrophobicContact CD2-CD2 4.23Å; W34-L84 HydrophobicContact CE3-CD1 4.44Å; W34-L84 HydrophobicContact CG-CB 4.32Å; W34-L84 HydrophobicContact CG-CD2 4.04Å; S36-L84 WeakPolarHBondContact CB-O 3.39Å; S36-L84 PolarHBondContact OG-O 3.19Å; P82-L84 PolarHBondContact O-N 2.91Å; L84-G99 PolarHBondContact N-O 3.26Å; L84-E101 HydrophobicContact CD1-CG 3.89Å; L84-E101 HydrophobicContact CD2-CG 3.84Å; L84-E101 HydrophobicContact CG-CG 3.9Å; L84-R132 HydrophobicContact CD1-CB 3.9Å; L84-R132 HydrophobicContact CD1-CG 4.03Å
85	D	98.5	Very high	96.7	Very high	19 Å²	19	23.2 Å²	23.2	10%	0.102	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	150.8	-176.7	-157.6	19.7	0	0	0	111.9	S36 S98 G99 I135 I136	S36-D85 WeakPolarHBondContact CB-OD1 3.43Å; D85-S98 WeakPolarHBondContact O-CA 3.43Å; D85-G99 PolarHBondContact N-O 3.24Å; D85-G99 PolarHBondContact O-N 3.11Å; D85-I135 WeakPolarHBondContact OD2-CA 3.38Å; D85-I136 HydrophobicContact CB-CG1 4.08Å; D85-I136 PolarHBondContact OD2-N 3.31Å
86	I	98.7	Very high	96.8	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	134.6	-179.1	51	171.3	0	0	0	110	A40 A47 I49 F58 V83 I96 A97	A40-I86 HydrophobicContact CB-CB 4.44Å; A40-I86 HydrophobicContact CB-CD1 4.06Å; A40-I86 HydrophobicContact CB-CG1 3.9Å; A40-I86 WeakPolarHBondContact CB-O 3.32Å; A47-I86 HydrophobicContact CB-CD1 3.87Å; A47-I86 WeakPolarHBondContact O-CD1 3.47Å; I49-I86 HydrophobicContact CD1-CG1 4.09Å; I49-I86 HydrophobicContact CD1-CG2 4.27Å; I49-I86 HydrophobicContact CG1-CD1 3.74Å; I49-I86 HydrophobicContact CG1-CG1 3.83Å; I49-I86 HydrophobicContact CG1-CG2 4.09Å; F58-I86 HydrophobicContact CD1-CG2 4.16Å; F58-I86 HydrophobicContact CD2-CG2 4.5Å; F58-I86 HydrophobicContact CE1-CG2 4.48Å; F58-I86 HydrophobicContact CG-CG2 4.17Å; V83-I86 HydrophobicContact CG1-CG2 3.84Å; I86-I96 HydrophobicContact CB-CD1 4.21Å; I86-A97 WeakPolarHBondContact CA-O 3.44Å
87	D	98.7	Very high	96.9	Very high	45 Å²	45	21.9 Å²	21.9	24%	0.241	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	135.8	179.3	-168.5	23.5	0	0	0	112.6	I96 A97 I136 T137 W138	D87-I96 WeakPolarHBondContact O-CA 3.31Å; D87-I96 WeakPolarHBondContact O-CG1 3.43Å; D87-A97 PolarHBondContact N-O 3.39Å; D87-A97 PolarHBondContact O-N 3.16Å; D87-I136 HydrophobicContact CB-CD1 4.16Å; D87-I136 HydrophobicContact CB-CG1 4.16Å; D87-T137 WeakPolarHBondContact OD2-CA 3.47Å; D87-W138 PolarHBondContact O-NE1 3.38Å; D87-W138 PolarHBondContact OD2-N 2.86Å
88	W	98.4	Very high	97.1	Very high	14 Å²	14	19.6 Å²	19.6	5%	0.053	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.2	-179.4	-74.2	104.6	0	0	0	110.7	A40 N42 F45 A47 V60 P90 I96 I110 W138	A40-W88 VanDerWaalsContact C-CD1 3.43Å; A40-W88 VanDerWaalsContact C-NE1 3.26Å; A40-W88 PolarHBondContact O-NE1 2.74Å; N42-W88 HydrophobicContact CB-CB 4.23Å; N42-W88 HydrophobicContact CB-CD2 4.25Å; N42-W88 HydrophobicContact CB-CG 3.95Å; F45-W88 HydrophobicContact CB-CH2 3.58Å; F45-W88 HydrophobicContact CB-CZ2 3.44Å; F45-W88 VanDerWaalsContact CB-CZ2 3.44Å; F45-W88 AromaticContact CD2-CH2 3.56Å; F45-W88 HydrophobicContact CD2-CH2 3.56Å; F45-W88 HydrophobicContact CD2-CZ2 4.27Å; F45-W88 AromaticContact CD2-CZ3 3.94Å; F45-W88 HydrophobicContact CD2-CZ3 3.94Å; F45-W88 AromaticContact CG-CH2 3.82Å; F45-W88 HydrophobicContact CG-CH2 3.82Å; F45-W88 HydrophobicContact CG-CZ2 4.21Å; A47-W88 HydrophobicContact CB-CZ2 3.79Å; V60-W88 HydrophobicContact CG1-CH2 3.89Å; V60-W88 HydrophobicContact CG1-CZ2 4.07Å; W88-P90 WeakPolarHBondContact O-CD 3.45Å; W88-I96 HydrophobicContact CD2-CB 4.01Å; W88-I96 HydrophobicContact CD2-CD1 4.02Å; W88-I96 HydrophobicContact CD2-CG1 4.02Å; W88-I96 HydrophobicContact CE3-CB 3.65Å; W88-I96 HydrophobicContact CE3-CD1 4.46Å; W88-I96 HydrophobicContact CE3-CG1 4.2Å; W88-I96 HydrophobicContact CG-CD1 4.49Å; W88-I96 HydrophobicContact CG-CG1 4.37Å; W88-I96 HydrophobicContact CH2-CB 4.29Å; W88-I96 HydrophobicContact CH2-CD1 4.4Å; W88-I96 HydrophobicContact CZ2-CD1 3.94Å; W88-I96 HydrophobicContact CZ3-CB 3.81Å; W88-I96 HydrophobicContact CZ3-CG2 4.31Å; W88-I110 HydrophobicContact CH2-CB 4.5Å; W88-I110 HydrophobicContact CH2-CG1 3.89Å; W88-I110 HydrophobicContact CZ3-CG1 4Å; W88-W138 VanDerWaalsContact C-CD1 3.4Å; W88-W138 VanDerWaalsContact O-CD1 3.25Å
89	C	97.6	Very high	97.4	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.034	11%	0.108	C	C	.	.			trans	-62.9	121.5	175.1	-174.6	0	0	0	0	109.8	H91 N92 V95 W138	C89-H91 PolarHBondContact O-N 2.64Å; C89-H91 VanDerWaalsContact O-N 3.14Å; C89-N92 HydrophobicContact CB-CB 4.38Å; C89-N92 CarbonylContact O-C 3.54Å; C89-N92 PolarHBondContact O-N 2.94Å; C89-V95 HydrophobicContact CB-CB 3.78Å; C89-V95 HydrophobicContact CB-CG1 3.95Å; C89-V95 WeakPolarHBondContact CB-O 3.22Å; C89-V95 PolarHBondContact N-O 2.96Å; C89-W138 HydrophobicContact CB-CD2 4.03Å; C89-W138 HydrophobicContact CB-CE3 4.42Å; C89-W138 HydrophobicContact CB-CG 4.48Å; C89-W138 HydrophobicContact CB-CH2 4.4Å; C89-W138 HydrophobicContact CB-CZ2 4.02Å
90	P	96.1	Very high	97.5	Very high	43 Å²	43	18.1 Å²	18.1	28%	0.279	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.4	-178.5	23.8	-33.1	0	0	0	111.9	W88 W138 R323	W88-P90 WeakPolarHBondContact O-CD 3.45Å; P90-W138 HydrophobicContact CG-CB 4.07Å; P90-R323 PolarHBondContact O-NH2 2.92Å; P90-R323 VanDerWaalsContact O-NH2 3.12Å
91	H	95.4	Very high	97.5	Very high	28 Å²	28	15.3 Å²	15.3	13%	0.13	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-3.3	-177.7	-41	121.7	0	0	0	114.8	C89 H139 P140 A142 P368	C89-H91 PolarHBondContact O-N 2.64Å; C89-H91 VanDerWaalsContact O-N 3.14Å; H91-H139 PolarHBondContact CE1-O 3.44Å; H91-P140 PolarHBondContact NE2-O 3.06Å; H91-A142 PolarHBondContact CE1-O 2.94Å; H91-P368 CarbonylContact C-O 3.46Å; H91-P368 WeakPolarHBondContact CA-O 3.37Å; H91-P368 WeakPolarHBondContact CB-O 3.41Å
92	N	95.1	Very high	97.5	Very high	22 Å²	22	16.3 Å²	16.3	12%	0.118	9%	0.088	C	C	.	.			trans	-151.2	106.3	176.6	-169.5	-19.8	0	0	0	111.6	C89 Q94 V95 R400	C89-N92 HydrophobicContact CB-CB 4.38Å; C89-N92 CarbonylContact O-C 3.54Å; C89-N92 PolarHBondContact O-N 2.94Å; N92-Q94 PolarHBondContact O-N 3.48Å; N92-Q94 PolarHBondContact OD1-N 3.2Å; N92-V95 HydrophobicContact CB-CB 4.16Å; N92-V95 HydrophobicContact CB-CG2 3.99Å; N92-V95 WeakPolarHBondContact ND2-CG2 3.37Å; N92-V95 PolarHBondContact O-N 3.34Å; N92-R400 PolarHBondContact ND2-O 2.92Å
93	D	95.8	Very high	97.6	Very high	9 Å²	9	15.8 Å²	15.8	5%	0.048	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-0.7	-178.1	-63.1	-29	0	0	0	114.4	N42 K44 F45 R323 Y394	N42-D93 VanDerWaalsContact ND2-C 3.34Å; N42-D93 WeakPolarHBondContact ND2-CA 3.29Å; N42-D93 PolarHBondContact ND2-O 3.17Å; K44-D93 HydrophobicContact CD-CB 4.16Å; K44-D93 HydrophobicContact CG-CB 4.2Å; F45-D93 VanDerWaalsContact CD2-O 3.3Å; F45-D93 WeakPolarHBondContact CD2-O 3.3Å; F45-D93 WeakPolarHBondContact CE2-O 2.87Å; D93-R323 VanDerWaalsContact CG-NH1 3.3Å; D93-R323 IonicContact OD1-CZ 2.74Å; D93-R323 VanDerWaalsContact OD1-CZ 3.3Å; D93-R323 IonicContact OD1-NH1 2.88Å; D93-R323 PolarHBondContact OD1-NH1 2.89Å; D93-R323 IonicContact OD1-NH2 3.72Å; D93-R323 PolarHBondContact OD1-NH2 3.29Å; D93-R323 IonicContact OD2-CZ 2.82Å; D93-R323 IonicContact OD2-NH1 3.88Å; D93-R323 PolarHBondContact OD2-NH1 3.38Å; D93-Y394 WeakPolarHBondContact OD2-CE2 3.47Å; D93-Y394 PolarHBondContact OD2-OH 3.05Å
94	Q	95.8	Very high	97.6	Very high	16 Å²	16	16.5 Å²	16.5	8%	0.075	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-7.6	173	-70.2	171.4	-8.7	0	0	113.7	F45 N92 I110	F45-Q94 HydrophobicContact CE2-CG 4.19Å; N92-Q94 PolarHBondContact O-N 3.48Å; N92-Q94 PolarHBondContact OD1-N 3.2Å; Q94-I110 WeakPolarHBondContact CB-O 3.46Å; Q94-I110 WeakPolarHBondContact O-CB 3.45Å; Q94-I110 PolarHBondContact O-N 2.93Å
95	V	97.2	Very high	97.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.8	-177.9	176.2	0	0	0	0	110.6	C89 N92 V107 W108 Q109 W138 F402	C89-V95 HydrophobicContact CB-CB 3.78Å; C89-V95 HydrophobicContact CB-CG1 3.95Å; C89-V95 WeakPolarHBondContact CB-O 3.22Å; C89-V95 PolarHBondContact N-O 2.96Å; N92-V95 HydrophobicContact CB-CB 4.16Å; N92-V95 HydrophobicContact CB-CG2 3.99Å; N92-V95 WeakPolarHBondContact ND2-CG2 3.37Å; N92-V95 PolarHBondContact O-N 3.34Å; V95-V107 HydrophobicContact CG1-CG1 3.58Å; V95-W108 WeakPolarHBondContact CA-O 3.38Å; V95-Q109 VanDerWaalsContact CG2-OE1 3.27Å; V95-W138 HydrophobicContact CG1-CH2 3.95Å; V95-W138 HydrophobicContact CG1-CZ2 3.78Å; V95-F402 HydrophobicContact CG2-CB 3.85Å; V95-F402 HydrophobicContact CG2-CD2 4.05Å; V95-F402 HydrophobicContact CG2-CG 4.03Å
96	I	98.5	Very high	97.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.4	175.3	-166	176.3	0	0	0	110	A47 F58 I86 D87 W88 V107 W108 I110	A47-I96 HydrophobicContact CB-CD1 3.48Å; A47-I96 VanDerWaalsContact CB-CD1 3.48Å; F58-I96 HydrophobicContact CD2-CD1 4.48Å; F58-I96 HydrophobicContact CE2-CD1 3.9Å; F58-I96 HydrophobicContact CE2-CG2 3.95Å; F58-I96 HydrophobicContact CZ-CG2 3.95Å; I86-I96 HydrophobicContact CB-CD1 4.21Å; D87-I96 WeakPolarHBondContact O-CA 3.31Å; D87-I96 WeakPolarHBondContact O-CG1 3.43Å; W88-I96 HydrophobicContact CD2-CB 4.01Å; W88-I96 HydrophobicContact CD2-CD1 4.02Å; W88-I96 HydrophobicContact CD2-CG1 4.02Å; W88-I96 HydrophobicContact CE3-CB 3.65Å; W88-I96 HydrophobicContact CE3-CD1 4.46Å; W88-I96 HydrophobicContact CE3-CG1 4.2Å; W88-I96 HydrophobicContact CG-CD1 4.49Å; W88-I96 HydrophobicContact CG-CG1 4.37Å; W88-I96 HydrophobicContact CH2-CB 4.29Å; W88-I96 HydrophobicContact CH2-CD1 4.4Å; W88-I96 HydrophobicContact CZ2-CD1 3.94Å; W88-I96 HydrophobicContact CZ3-CB 3.81Å; W88-I96 HydrophobicContact CZ3-CG2 4.31Å; I96-V107 WeakPolarHBondContact O-CA 3.38Å; I96-W108 HydrophobicContact CG2-CB 3.91Å; I96-W108 HydrophobicContact CG2-CG 4.37Å; I96-W108 PolarHBondContact N-O 3.36Å; I96-W108 PolarHBondContact O-N 2.89Å; I96-I110 HydrophobicContact CG2-CD1 4.08Å; I96-I110 HydrophobicContact CG2-CG1 4.01Å
97	A	98.6	Very high	97.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	151.9	170.4	0	0	0	0	0	110.3	I86 D87 M106 V107 I136 W138 L146	I86-A97 WeakPolarHBondContact CA-O 3.44Å; D87-A97 PolarHBondContact N-O 3.39Å; D87-A97 PolarHBondContact O-N 3.16Å; A97-M106 CarbonylContact C-O 3.58Å; A97-M106 WeakPolarHBondContact CA-O 3.38Å; A97-V107 HydrophobicContact CB-CG2 4.03Å; A97-I136 HydrophobicContact CB-CD1 3.76Å; A97-I136 VanDerWaalsContact O-CD1 3.23Å; A97-I136 WeakPolarHBondContact O-CD1 3.32Å; A97-W138 HydrophobicContact CB-CZ2 3.84Å; A97-L146 HydrophobicContact CB-CD1 4.24Å; A97-L146 HydrophobicContact CB-CD2 3.81Å
98	S	98.7	Very high	97.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.1	173.9	58.6	0	0	0	0	111.8	H79 D85 V105 M106 W108	H79-S98 PolarHBondContact CD2-OG 3.5Å; H79-S98 PolarHBondContact NE2-O 3.26Å; H79-S98 PolarHBondContact NE2-OG 2.96Å; D85-S98 WeakPolarHBondContact O-CA 3.43Å; S98-V105 CarbonylContact O-C 3.55Å; S98-V105 VanDerWaalsContact O-CA 3.31Å; S98-V105 WeakPolarHBondContact O-CA 3.42Å; S98-M106 PolarHBondContact N-O 2.82Å; S98-M106 PolarHBondContact O-N 3.49Å; S98-W108 PolarHBondContact OG-NE1 2.75Å
99	G	98.4	Very high	97.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.6	173.1	0	0	0	0	0	111.4	V83 L84 D85 V133	V83-G99 WeakPolarHBondContact CG1-O 3.38Å; L84-G99 PolarHBondContact N-O 3.26Å; D85-G99 PolarHBondContact N-O 3.24Å; D85-G99 PolarHBondContact O-N 3.11Å; G99-V133 CarbonylContact C-O 3.43Å
100	S	98.3	Very high	97.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160.7	-166.5	173.9	0	0	0	0	114.6	H79 G81 P82 D102 C103 T104 R132 V133	H79-S100 WeakPolarHBondContact CE1-CB 3.41Å; H79-S100 WeakPolarHBondContact ND1-CB 3.37Å; H79-S100 PolarHBondContact ND1-OG 3.34Å; G81-S100 PolarHBondContact O-OG 2.83Å; P82-S100 WeakPolarHBondContact O-CA 3.42Å; P82-S100 PolarHBondContact O-OG 3.05Å; S100-D102 VanDerWaalsContact CB-OD1 3.28Å; S100-D102 WeakPolarHBondContact CB-OD1 3.32Å; S100-D102 PolarHBondContact O-N 2.84Å; S100-D102 PolarHBondContact OG-N 2.84Å; S100-D102 VanDerWaalsContact OG-N 3.15Å; S100-D102 PolarHBondContact OG-OD1 2.82Å; S100-D102 PolarHBondContact OG-OD2 3.22Å; S100-C103 PolarHBondContact O-N 3.33Å; S100-T104 PolarHBondContact N-O 2.88Å; S100-R132 WeakPolarHBondContact O-CA 3.49Å; S100-V133 PolarHBondContact N-O 3.28Å; S100-V133 VanDerWaalsContact N-O 3.12Å; S100-V133 PolarHBondContact O-N 2.86Å
101	E	97.4	Very high	97.2	Very high	61 Å²	61	16 Å²	16	29%	0.285	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.6	167.5	-69	-163.3	155.2	0	0	114.3	P82 L84 C103 R132	P82-E101 HydrophobicContact CB-CG 4.29Å; P82-E101 WeakPolarHBondContact CD-OE2 3.36Å; P82-E101 WeakPolarHBondContact CG-OE2 3.43Å; P82-E101 PolarHBondContact O-N 3.4Å; L84-E101 HydrophobicContact CD1-CG 3.89Å; L84-E101 HydrophobicContact CD2-CG 3.84Å; L84-E101 HydrophobicContact CG-CG 3.9Å; E101-C103 PolarHBondContact O-N 3.4Å; E101-R132 HydrophobicContact CB-CB 4.35Å; E101-R132 HydrophobicContact CG-CB 4.25Å; E101-R132 IonicContact OE1-CZ 3.69Å; E101-R132 IonicContact OE1-NH1 3.28Å; E101-R132 PolarHBondContact OE1-NH1 3.01Å
102	D	97.4	Very high	96.9	Very high	30 Å²	30	19 Å²	19	16%	0.16	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	7.2	172.9	61.2	38.5	0	0	0	114.9	H79 T80 G81 S100 T104	H79-D102 VanDerWaalsContact CA-OD2 3.27Å; H79-D102 WeakPolarHBondContact CA-OD2 3.37Å; H79-D102 VanDerWaalsContact CB-OD2 3.23Å; H79-D102 WeakPolarHBondContact CB-OD2 3.27Å; H79-D102 IonicContact CE1-OD1 3.74Å; H79-D102 IonicContact CG-OD2 2.7Å; H79-D102 IonicContact ND1-OD1 3.25Å; H79-D102 PolarHBondContact ND1-OD1 3.46Å; H79-D102 IonicContact ND1-OD2 2.86Å; H79-D102 PolarHBondContact ND1-OD2 3.33Å; T80-D102 PolarHBondContact N-OD2 3.48Å; T80-D102 WeakPolarHBondContact OG1-CB 3.21Å; G81-D102 PolarHBondContact N-OD2 3.15Å; S100-D102 VanDerWaalsContact CB-OD1 3.28Å; S100-D102 WeakPolarHBondContact CB-OD1 3.32Å; S100-D102 PolarHBondContact O-N 2.84Å; S100-D102 PolarHBondContact OG-N 2.84Å; S100-D102 VanDerWaalsContact OG-N 3.15Å; S100-D102 PolarHBondContact OG-OD1 2.82Å; S100-D102 PolarHBondContact OG-OD2 3.22Å; D102-T104 PolarHBondContact O-N 3.37Å; D102-T104 WeakPolarHBondContact OD1-CB 3.49Å; D102-T104 PolarHBondContact OD1-N 2.97Å; D102-T104 PolarHBondContact OD1-OG1 3.24Å
103	C	98.2	Very high	96.7	Very high	33 Å²	33	24.7 Å²	24.7	22%	0.223	13%	0.131	C	C	.	.	S	Bend	trans	70.1	4.4	178.2	-39.7	0	0	0	0	114.8	S100 E101 H129 K131	S100-C103 PolarHBondContact O-N 3.33Å; E101-C103 PolarHBondContact O-N 3.4Å; C103-H129 WeakPolarHBondContact CB-O 3.46Å; C103-K131 WeakPolarHBondContact CB-O 3.35Å; C103-K131 WeakPolarHBondContact SG-CA 3.5Å
104	T	98.3	Very high	96.5	Very high	17 Å²	17	24.3 Å²	24.3	10%	0.104	13%	0.129	C	C	.	.			trans	-98.5	157.1	175.9	72.4	0	0	0	0	112.4	H79 S100 D102 V125 E127	H79-T104 PolarHBondContact CE1-OG1 3.42Å; H79-T104 VanDerWaalsContact CE1-OG1 3.28Å; H79-T104 PolarHBondContact ND1-OG1 3.26Å; S100-T104 PolarHBondContact N-O 2.88Å; D102-T104 PolarHBondContact O-N 3.37Å; D102-T104 WeakPolarHBondContact OD1-CB 3.49Å; D102-T104 PolarHBondContact OD1-N 2.97Å; D102-T104 PolarHBondContact OD1-OG1 3.24Å; T104-V125 HydrophobicContact CG2-CG1 4.11Å; T104-E127 HydrophobicContact CG2-CG 4.35Å
105	V	98.7	Very high	96.4	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.1	159.4	178.3	0	0	0	0	108.5	S98 L126 V133 I136 L146	S98-V105 CarbonylContact O-C 3.55Å; S98-V105 VanDerWaalsContact O-CA 3.31Å; S98-V105 WeakPolarHBondContact O-CA 3.42Å; V105-L126 HydrophobicContact CB-CB 4.18Å; V105-L126 HydrophobicContact CB-CD1 4.26Å; V105-L126 HydrophobicContact CG1-CD1 4.11Å; V105-L126 PolarHBondContact N-O 2.92Å; V105-L126 VanDerWaalsContact N-O 3.09Å; V105-L126 PolarHBondContact O-N 3.26Å; V105-V133 HydrophobicContact CG2-CB 4.15Å; V105-V133 HydrophobicContact CG2-CG1 3.61Å; V105-V133 HydrophobicContact CG2-CG2 4.25Å; V105-I136 HydrophobicContact CG1-CG2 4.16Å; V105-I136 HydrophobicContact CG2-CG2 3.94Å; V105-L146 HydrophobicContact CG1-CD2 3.9Å
106	M	98.6	Very high	96.2	Very high	17 Å²	17	30.1 Å²	30.1	8%	0.084	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.1	178	-68.4	-176.8	-177.9	0	0	110.6	H79 A97 S98 W108 P122 V124 V125	H79-M106 VanDerWaalsContact CE1-CG 3.46Å; H79-M106 WeakPolarHBondContact CE1-CG 3.13Å; A97-M106 CarbonylContact C-O 3.58Å; A97-M106 WeakPolarHBondContact CA-O 3.38Å; S98-M106 PolarHBondContact N-O 2.82Å; S98-M106 PolarHBondContact O-N 3.49Å; M106-W108 HydrophobicContact CB-CH2 4.42Å; M106-W108 HydrophobicContact CB-CZ2 3.5Å; M106-W108 HydrophobicContact CG-CZ2 4.11Å; M106-W108 PolarHBondContact O-NE1 2.92Å; M106-W108 HydrophobicContact SD-CH2 3.74Å; M106-W108 HydrophobicContact SD-CZ2 3.48Å; M106-W108 WeakPolarHBondContact SD-CZ2 3.31Å; M106-P122 HydrophobicContact CB-CB 3.89Å; M106-P122 HydrophobicContact CB-CG 4.26Å; M106-P122 HydrophobicContact CG-CB 4.24Å; M106-P122 HydrophobicContact CG-CG 4.04Å; M106-P122 HydrophobicContact SD-CB 4.39Å; M106-P122 HydrophobicContact SD-CG 3.92Å; M106-V124 WeakPolarHBondContact CA-O 3.39Å; M106-V125 HydrophobicContact CE-CG1 4.37Å; M106-V125 HydrophobicContact CE-CG2 4.38Å; M106-V125 HydrophobicContact CG-CG1 4.39Å; M106-V125 HydrophobicContact CG-CG2 4.39Å
107	V	98.3	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.3	178.2	-178.1	0	0	0	0	110.4	V95 I96 A97 P122 V123 V124 L126 W138 L146 V160	V95-V107 HydrophobicContact CG1-CG1 3.58Å; I96-V107 WeakPolarHBondContact O-CA 3.38Å; A97-V107 HydrophobicContact CB-CG2 4.03Å; V107-P122 WeakPolarHBondContact O-CB 3.23Å; V107-V123 PolarHBondContact O-N 3.04Å; V107-V124 HydrophobicContact CB-CB 4.38Å; V107-V124 PolarHBondContact N-O 3.34Å; V107-V124 PolarHBondContact O-N 2.86Å; V107-L126 HydrophobicContact CG2-CD1 4.4Å; V107-W138 HydrophobicContact CG1-CH2 4.04Å; V107-W138 HydrophobicContact CG1-CZ2 4.06Å; V107-W138 HydrophobicContact CG2-CZ2 4.49Å; V107-L146 HydrophobicContact CG2-CD2 4.09Å; V107-V160 HydrophobicContact CB-CG1 3.99Å; V107-V160 HydrophobicContact CG1-CG1 4.03Å; V107-V160 HydrophobicContact CG2-CG1 3.68Å
108	W	97.8	Very high	95.8	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.3	-166.2	-46.3	86.9	0	0	0	111	F58 V76 V95 I96 S98 M106 I110 M119 P122	F58-W108 AromaticContact CE1-NE1 3.73Å; F58-W108 AromaticContact CZ-CD1 3.69Å; F58-W108 HydrophobicContact CZ-CG 4.17Å; F58-W108 AromaticContact CZ-NE1 3.82Å; V76-W108 HydrophobicContact CG1-CD2 3.3Å; V76-W108 VanDerWaalsContact CG1-CE2 3.48Å; V76-W108 HydrophobicContact CG1-CE3 3.35Å; V76-W108 HydrophobicContact CG1-CG 3.91Å; V76-W108 HydrophobicContact CG1-CH2 3.8Å; V76-W108 HydrophobicContact CG1-CZ2 3.73Å; V76-W108 HydrophobicContact CG1-CZ3 3.6Å; V95-W108 WeakPolarHBondContact CA-O 3.38Å; I96-W108 HydrophobicContact CG2-CB 3.91Å; I96-W108 HydrophobicContact CG2-CG 4.37Å; I96-W108 PolarHBondContact N-O 3.36Å; I96-W108 PolarHBondContact O-N 2.89Å; S98-W108 PolarHBondContact OG-NE1 2.75Å; M106-W108 HydrophobicContact CB-CH2 4.42Å; M106-W108 HydrophobicContact CB-CZ2 3.5Å; M106-W108 HydrophobicContact CG-CZ2 4.11Å; M106-W108 PolarHBondContact O-NE1 2.92Å; M106-W108 HydrophobicContact SD-CH2 3.74Å; M106-W108 HydrophobicContact SD-CZ2 3.48Å; M106-W108 WeakPolarHBondContact SD-CZ2 3.31Å; W108-I110 HydrophobicContact CB-CD1 4.28Å; W108-M119 HydrophobicContact CB-SD 4.39Å; W108-M119 HydrophobicContact CE3-CG 3.91Å; W108-M119 HydrophobicContact CE3-SD 3.83Å; W108-M119 HydrophobicContact CZ3-CG 4.11Å; W108-P122 HydrophobicContact CD2-CB 3.98Å; W108-P122 HydrophobicContact CE3-CB 3.76Å; W108-P122 HydrophobicContact CH2-CB 3.87Å; W108-P122 HydrophobicContact CH2-CG 4.24Å; W108-P122 HydrophobicContact CZ2-CB 4.1Å; W108-P122 HydrophobicContact CZ3-CB 3.72Å; W108-P122 HydrophobicContact CZ3-CG 4.32Å; W108-P122 VanDerWaalsContact CZ3-N 3.34Å
109	Q	95.9	Very high	95.6	Very high	41 Å²	41	40.2 Å²	40.2	19%	0.192	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	105.4	170.9	176.8	74.3	41	0	0	108.5	V95 M119 V123	V95-Q109 VanDerWaalsContact CG2-OE1 3.27Å; Q109-M119 WeakPolarHBondContact O-CE 3.32Å; Q109-V123 HydrophobicContact CB-CG2 3.67Å
110	I	96	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.			trans	-77.6	132.2	179.4	-54.6	-54.7	0	0	0	109.6	F45 V60 V76 W88 Q94 I96 W108	F45-I110 HydrophobicContact CD1-CG2 4.42Å; F45-I110 HydrophobicContact CD2-CG2 4.49Å; F45-I110 HydrophobicContact CE1-CG2 4.07Å; F45-I110 HydrophobicContact CE2-CB 4.47Å; F45-I110 HydrophobicContact CE2-CG2 4.14Å; F45-I110 HydrophobicContact CZ-CG2 3.92Å; V60-I110 HydrophobicContact CG1-CG1 4.33Å; V60-I110 HydrophobicContact CG1-CG2 3.9Å; V60-I110 HydrophobicContact CG2-CD1 4.13Å; V76-I110 HydrophobicContact CG2-CD1 4Å; W88-I110 HydrophobicContact CH2-CB 4.5Å; W88-I110 HydrophobicContact CH2-CG1 3.89Å; W88-I110 HydrophobicContact CZ3-CG1 4Å; Q94-I110 WeakPolarHBondContact CB-O 3.46Å; Q94-I110 WeakPolarHBondContact O-CB 3.45Å; Q94-I110 PolarHBondContact O-N 2.93Å; I96-I110 HydrophobicContact CG2-CD1 4.08Å; I96-I110 HydrophobicContact CG2-CG1 4.01Å; W108-I110 HydrophobicContact CB-CD1 4.28Å
111	P	93.9	Very high	95.3	Very high	60 Å²	60	49.9 Å²	49.9	39%	0.39	28%	0.279	S	S	.	.			trans	-62.4	147.5	175.5	-19.2	31.2	0	0	0	111.6	F45 N113 G114	F45-P111 WeakPolarHBondContact CZ-O 3.36Å; P111-N113 PolarHBondContact O-N 2.85Å; P111-N113 VanDerWaalsContact O-N 3.1Å; P111-G114 WeakPolarHBondContact O-CA 3.35Å; P111-G114 PolarHBondContact O-N 2.71Å
112	E	88.5	Confident	95.3	Very high	89 Å²	89	48.3 Å²	48.3	42%	0.416	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.4	-174.9	-178.2	126.8	-127.5	0	0	114.2	K44 F45 G114 N399	K44-E112 IonicContact NZ-OE1 3.17Å; K44-E112 PolarHBondContact NZ-OE1 3.38Å; F45-E112 WeakPolarHBondContact CZ-O 3.29Å; E112-G114 VanDerWaalsContact C-N 3.32Å; E112-N399 PolarHBondContact OE2-ND2 3.26Å
113	N	89.6	Confident	95.2	Very high	142 Å²	142	49.7 Å²	49.7	76%	0.759	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	11.2	-179	-61.7	-44.6	0	0	0	113.6	P111	P111-N113 PolarHBondContact O-N 2.85Å; P111-N113 VanDerWaalsContact O-N 3.1Å
114	G	92.3	Very high	95.1	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.01	27%	0.273	C	S	.	.			trans	81.2	-174.6	-170.7	0	0	0	0	0	113.2	P111 E112	P111-G114 WeakPolarHBondContact O-CA 3.35Å; P111-G114 PolarHBondContact O-N 2.71Å; E112-G114 VanDerWaalsContact C-N 3.32Å
115	L	94.1	Very high	95	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.052	28%	0.283	C	S	.	.			trans	-76.7	128.3	-175.9	-61.4	174.4	0	0	0	112	V60 P74 V76 M119	V60-L115 HydrophobicContact CB-CD1 4.31Å; P74-L115 HydrophobicContact CB-CB 3.52Å; P74-L115 HydrophobicContact CB-CD1 4.32Å; P74-L115 HydrophobicContact CG-CB 4.45Å; V76-L115 HydrophobicContact CG2-CD1 3.9Å; L115-M119 HydrophobicContact CD2-CB 4.3Å; L115-M119 HydrophobicContact CD2-CE 4.28Å
116	V	92.3	Very high	95	Very high	128 Å²	128	50 Å²	50	78%	0.776	28%	0.284	S	S	*	.	S	Bend	trans	-96.9	-34.1	171.9	-178.7	0	0	0	0	111.2	P74	P74-V116 WeakPolarHBondContact CG-O 3.28Å
117	T	94.5	Very high	94.9	Very high	107 Å²	107	56.2 Å²	56.2	66%	0.656	31%	0.313	S	S	*	.	S	Bend	trans	-131.3	155.8	172.5	54.6	0	0	0	0	108.8
118	S	95.1	Very high	94.9	Very high	64 Å²	64	58.5 Å²	58.5	45%	0.448	34%	0.336	S	S	.	.			trans	-61	146.8	174.1	-62.7	0	0	0	0	111	T75	T75-S118 PolarHBondContact N-OG 2.83Å; T75-S118 CarbonylContact O-C 3.54Å; T75-S118 WeakPolarHBondContact O-CA 3.44Å; T75-S118 VanDerWaalsContact O-CB 3.3Å; T75-S118 WeakPolarHBondContact O-CB 3.49Å
119	M	94.9	Very high	94.9	Very high	42 Å²	42	59 Å²	59	21%	0.207	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-113.5	112.5	-174.8	177.9	178.5	-75.6	0	0	109.6	T75 C77 W108 Q109 L115	T75-M119 PolarHBondContact O-N 3.44Å; C77-M119 PolarHBondContact N-O 3.39Å; W108-M119 HydrophobicContact CB-SD 4.39Å; W108-M119 HydrophobicContact CE3-CG 3.91Å; W108-M119 HydrophobicContact CE3-SD 3.83Å; W108-M119 HydrophobicContact CZ3-CG 4.11Å; Q109-M119 WeakPolarHBondContact O-CE 3.32Å; L115-M119 HydrophobicContact CD2-CB 4.3Å; L115-M119 HydrophobicContact CD2-CE 4.28Å
120	S	95.1	Very high	94.9	Very high	58 Å²	58	61.2 Å²	61.2	41%	0.406	36%	0.359	S	S	.	.			trans	-96.3	-31	174.6	59	0	0	0	0	113.4	C77 G78 P122	C77-S120 WeakPolarHBondContact O-CA 3.49Å; G78-S120 VanDerWaalsContact CA-O 3.31Å; G78-S120 WeakPolarHBondContact CA-O 3.41Å; S120-P122 VanDerWaalsContact O-CD 3.29Å; S120-P122 WeakPolarHBondContact O-CD 3.4Å
121	E	95.1	Very high	95	Very high	145 Å²	145	66.4 Å²	66.4	68%	0.678	38%	0.381	S	S	*	.			trans	-89	114.4	-175.6	-54.2	-48.7	121	0	0	111
122	P	96.3	Very high	95.2	Very high	28 Å²	28	68.3 Å²	68.3	18%	0.182	38%	0.381	C	S	.	.			trans	-77.7	162.1	170	33.9	-35.3	0	0	0	110.7	M106 V107 W108 S120 V125	M106-P122 HydrophobicContact CB-CB 3.89Å; M106-P122 HydrophobicContact CB-CG 4.26Å; M106-P122 HydrophobicContact CG-CB 4.24Å; M106-P122 HydrophobicContact CG-CG 4.04Å; M106-P122 HydrophobicContact SD-CB 4.39Å; M106-P122 HydrophobicContact SD-CG 3.92Å; V107-P122 WeakPolarHBondContact O-CB 3.23Å; W108-P122 HydrophobicContact CD2-CB 3.98Å; W108-P122 HydrophobicContact CE3-CB 3.76Å; W108-P122 HydrophobicContact CH2-CB 3.87Å; W108-P122 HydrophobicContact CH2-CG 4.24Å; W108-P122 HydrophobicContact CZ2-CB 4.1Å; W108-P122 HydrophobicContact CZ3-CB 3.72Å; W108-P122 HydrophobicContact CZ3-CG 4.32Å; W108-P122 VanDerWaalsContact CZ3-N 3.34Å; S120-P122 VanDerWaalsContact O-CD 3.29Å; S120-P122 WeakPolarHBondContact O-CD 3.4Å; P122-V125 HydrophobicContact CG-CG2 3.56Å
123	V	95.5	Very high	95.7	Very high	59 Å²	59	64.1 Å²	64.1	36%	0.358	36%	0.361	S	S	.	.	S	Bend	trans	-77.6	-31.4	174.8	-166.8	0	0	0	0	110.9	V107 Q109 F402 V404	V107-V123 PolarHBondContact O-N 3.04Å; Q109-V123 HydrophobicContact CB-CG2 3.67Å; V123-F402 HydrophobicContact CB-CD1 4.36Å; V123-F402 HydrophobicContact CG1-CD1 3.83Å; V123-F402 HydrophobicContact CG1-CE1 4.28Å; V123-V404 HydrophobicContact CG1-CG2 3.74Å
124	V	96	Very high	96.1	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.1	171.3	-172.2	0	0	0	0	109.8	M106 V107 L126 V160 F402 V404	M106-V124 WeakPolarHBondContact CA-O 3.39Å; V107-V124 HydrophobicContact CB-CB 4.38Å; V107-V124 PolarHBondContact N-O 3.34Å; V107-V124 PolarHBondContact O-N 2.86Å; V124-L126 HydrophobicContact CG1-CD2 3.49Å; V124-L126 VanDerWaalsContact CG1-CD2 3.49Å; V124-L126 HydrophobicContact CG1-CG 3.91Å; V124-V160 HydrophobicContact CB-CG1 4.25Å; V124-V160 HydrophobicContact CG2-CG1 3.99Å; V124-F402 HydrophobicContact CG2-CE1 4.16Å; V124-V404 HydrophobicContact CG2-CB 4.28Å; V124-V404 HydrophobicContact CG2-CG1 4Å; V124-V404 HydrophobicContact CG2-CG2 3.27Å
125	V	97.6	Very high	96.4	Very high	52 Å²	52	58.1 Å²	58.1	32%	0.315	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.5	158.1	-169.6	0	0	0	0	107	T104 M106 P122 E127	T104-V125 HydrophobicContact CG2-CG1 4.11Å; M106-V125 HydrophobicContact CE-CG1 4.37Å; M106-V125 HydrophobicContact CE-CG2 4.38Å; M106-V125 HydrophobicContact CG-CG1 4.39Å; M106-V125 HydrophobicContact CG-CG2 4.39Å; P122-V125 HydrophobicContact CG-CG2 3.56Å; V125-E127 HydrophobicContact CG1-CG 3.8Å
126	L	98	Very high	96.6	Very high	2 Å²	2	58 Å²	58	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.6	175.4	-56.8	169.6	0	0	0	107.2	V105 V107 V124 L146 W158 V160	V105-L126 HydrophobicContact CB-CB 4.18Å; V105-L126 HydrophobicContact CB-CD1 4.26Å; V105-L126 HydrophobicContact CG1-CD1 4.11Å; V105-L126 PolarHBondContact N-O 2.92Å; V105-L126 VanDerWaalsContact N-O 3.09Å; V105-L126 PolarHBondContact O-N 3.26Å; V107-L126 HydrophobicContact CG2-CD1 4.4Å; V124-L126 HydrophobicContact CG1-CD2 3.49Å; V124-L126 VanDerWaalsContact CG1-CD2 3.49Å; V124-L126 HydrophobicContact CG1-CG 3.91Å; L126-L146 HydrophobicContact CD1-CD2 3.93Å; L126-W158 HydrophobicContact CB-CD2 3.97Å; L126-W158 HydrophobicContact CB-CE3 3.9Å; L126-W158 HydrophobicContact CB-CH2 4.07Å; L126-W158 HydrophobicContact CB-CZ2 4.13Å; L126-W158 HydrophobicContact CB-CZ3 3.94Å; L126-W158 HydrophobicContact CD1-CB 4.06Å; L126-W158 HydrophobicContact CD1-CD2 3.98Å; L126-W158 HydrophobicContact CD1-CE3 4.46Å; L126-W158 HydrophobicContact CD1-CG 3.79Å; L126-W158 HydrophobicContact CD2-CB 4.35Å; L126-W158 HydrophobicContact CD2-CD2 4.07Å; L126-W158 HydrophobicContact CD2-CE3 3.72Å; L126-W158 HydrophobicContact CD2-CG 4.36Å; L126-W158 HydrophobicContact CD2-CZ3 4.34Å; L126-W158 HydrophobicContact CG-CD2 4.23Å; L126-W158 HydrophobicContact CG-CE3 4.23Å; L126-W158 HydrophobicContact CG-CG 4.49Å; L126-V160 HydrophobicContact CD1-CG2 4.3Å
127	E	97	Very high	96.8	Very high	148 Å²	148	53.3 Å²	53.3	69%	0.692	30%	0.3	S	S	*	.			trans	-118	128.7	-175.8	-58.8	-177.7	156.6	0	0	108.8	T104 V125 W158	T104-E127 HydrophobicContact CG2-CG 4.35Å; V125-E127 HydrophobicContact CG1-CG 3.8Å; E127-W158 WeakPolarHBondContact O-CH2 3.34Å
128	G	96.4	Very high	97	Very high	48 Å²	48	48.6 Å²	48.6	50%	0.495	27%	0.27	S	S	.	.			trans	176.1	-35.6	-178.5	0	0	0	0	0	113.4
129	H	98.1	Very high	97.2	Very high	13 Å²	13	45.6 Å²	45.6	6%	0.06	25%	0.249	C	C	.	.			trans	-67	141.6	170.4	-73.1	-71.5	0	0	0	111.5	C103 V133 S148 G150 D152 Q154	C103-H129 WeakPolarHBondContact CB-O 3.46Å; H129-V133 HydrophobicContact CB-CG2 3.62Å; H129-V133 VanDerWaalsContact CD2-CG2 3.42Å; H129-V133 WeakPolarHBondContact CD2-CG2 3.37Å; H129-S148 PolarHBondContact CD2-OG 2.84Å; H129-S148 PolarHBondContact NE2-OG 3.36Å; H129-G150 PolarHBondContact CE1-N 3.29Å; H129-D152 WeakPolarHBondContact CA-OD2 3.49Å; H129-D152 WeakPolarHBondContact CB-OD2 3.46Å; H129-D152 IonicContact CE1-OD1 2.68Å; H129-D152 IonicContact CG-OD2 2.71Å; H129-D152 IonicContact ND1-OD1 3.63Å; H129-D152 PolarHBondContact ND1-OD1 3.15Å; H129-D152 IonicContact ND1-OD2 3.82Å; H129-D152 PolarHBondContact ND1-OD2 2.83Å; H129-D152 VanDerWaalsContact ND1-OD2 3.16Å; H129-Q154 PolarHBondContact CE1-O 3Å
130	S	97.4	Very high	97.3	Very high	88 Å²	88	45.3 Å²	45.3	62%	0.615	25%	0.251	S	S	*	.	S	Bend	trans	-96.9	-6.2	179.4	63.5	0	0	0	0	113.4	D152	S130-D152 PolarHBondContact N-OD2 3Å; S130-D152 WeakPolarHBondContact OG-CB 3.43Å; S130-D152 PolarHBondContact OG-OD2 2.8Å
131	K	98.1	Very high	97.4	Very high	109 Å²	109	42.6 Å²	42.6	47%	0.474	23%	0.232	S	C	.	.	S	Bend	trans	-141.2	170.3	177	-68	169.5	-174.4	159.8	0	109.9	C103 V133 C151 D152	C103-K131 WeakPolarHBondContact CB-O 3.35Å; C103-K131 WeakPolarHBondContact SG-CA 3.5Å; K131-V133 PolarHBondContact O-N 3.09Å; K131-C151 HydrophobicContact CB-CB 4.18Å; K131-C151 VanDerWaalsContact CD-C 3.44Å; K131-C151 HydrophobicContact CD-CB 4.41Å; K131-C151 WeakPolarHBondContact CD-O 3.18Å; K131-C151 PolarHBondContact NZ-O 3.25Å; K131-D152 HydrophobicContact CB-CB 4.33Å; K131-D152 HydrophobicContact CD-CB 4.15Å; K131-D152 HydrophobicContact CG-CB 4.43Å
132	R	97.5	Very high	97.6	Very high	100 Å²	100	35.7 Å²	35.7	38%	0.377	20%	0.199	S	C	.	.			trans	-40.6	133.5	178.6	70.5	-176.5	76.1	-150.7	-6.8	112.9	L84 S100 E101 G150 C151	L84-R132 HydrophobicContact CD1-CB 3.9Å; L84-R132 HydrophobicContact CD1-CG 4.03Å; S100-R132 WeakPolarHBondContact O-CA 3.49Å; E101-R132 HydrophobicContact CB-CB 4.35Å; E101-R132 HydrophobicContact CG-CB 4.25Å; E101-R132 IonicContact OE1-CZ 3.69Å; E101-R132 IonicContact OE1-NH1 3.28Å; E101-R132 PolarHBondContact OE1-NH1 3.01Å; R132-G150 WeakPolarHBondContact O-CA 3.35Å; R132-C151 HydrophobicContact CG-CB 3.79Å; R132-C151 WeakPolarHBondContact CG-SG 3.38Å; R132-C151 PolarHBondContact O-N 3.47Å
133	V	98.4	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.8	175.2	-174	0	0	0	0	108.6	G99 S100 V105 H129 K131 I136	G99-V133 CarbonylContact C-O 3.43Å; S100-V133 PolarHBondContact N-O 3.28Å; S100-V133 VanDerWaalsContact N-O 3.12Å; S100-V133 PolarHBondContact O-N 2.86Å; V105-V133 HydrophobicContact CG2-CB 4.15Å; V105-V133 HydrophobicContact CG2-CG1 3.61Å; V105-V133 HydrophobicContact CG2-CG2 4.25Å; H129-V133 HydrophobicContact CB-CG2 3.62Å; H129-V133 VanDerWaalsContact CD2-CG2 3.42Å; H129-V133 WeakPolarHBondContact CD2-CG2 3.37Å; K131-V133 PolarHBondContact O-N 3.09Å; V133-I136 HydrophobicContact CG1-CG2 4.15Å
134	G	97.4	Very high	97.6	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	5	-171.3	0	0	0	0	0	115.1	W34 A149	W34-G134 PolarHBondContact NE1-O 2.98Å; G134-A149 PolarHBondContact N-O 2.83Å
135	I	98.5	Very high	97.7	Very high	15 Å²	15	35 Å²	35	8%	0.077	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.4	172.6	-59.1	162.1	0	0	0	106.5	D85 S148 A149 I177 V180	D85-I135 WeakPolarHBondContact OD2-CA 3.38Å; I135-S148 WeakPolarHBondContact O-CA 3.37Å; I135-A149 HydrophobicContact CB-CB 4.14Å; I135-A149 HydrophobicContact CD1-CB 4.21Å; I135-A149 PolarHBondContact N-O 2.96Å; I135-A149 PolarHBondContact O-N 2.92Å; I135-I177 HydrophobicContact CD1-CB 4.4Å; I135-I177 HydrophobicContact CD1-CG2 3.85Å; I135-V180 HydrophobicContact CG2-CB 4.23Å; I135-V180 HydrophobicContact CG2-CG2 4.23Å
136	I	98.4	Very high	97.7	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145	166	55.6	168.8	0	0	0	109.8	D85 D87 A97 V105 V133 L147	D85-I136 HydrophobicContact CB-CG1 4.08Å; D85-I136 PolarHBondContact OD2-N 3.31Å; D87-I136 HydrophobicContact CB-CD1 4.16Å; D87-I136 HydrophobicContact CB-CG1 4.16Å; A97-I136 HydrophobicContact CB-CD1 3.76Å; A97-I136 VanDerWaalsContact O-CD1 3.23Å; A97-I136 WeakPolarHBondContact O-CD1 3.32Å; V105-I136 HydrophobicContact CG1-CG2 4.16Å; V105-I136 HydrophobicContact CG2-CG2 3.94Å; V133-I136 HydrophobicContact CG1-CG2 4.15Å; I136-L147 WeakPolarHBondContact CA-O 3.33Å
137	T	98.3	Very high	97.8	Very high	30 Å²	30	32.5 Å²	32.5	18%	0.184	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	125.9	173.1	177.8	0	0	0	0	111.2	D87 L147	D87-T137 WeakPolarHBondContact OD2-CA 3.47Å; T137-L147 HydrophobicContact CG2-CB 4.11Å; T137-L147 HydrophobicContact CG2-CD2 3.93Å; T137-L147 PolarHBondContact N-O 3.17Å; T137-L147 PolarHBondContact O-N 2.77Å
138	W	98.6	Very high	97.8	Very high	8 Å²	8	25.4 Å²	25.4	3%	0.03	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	145.2	173.8	-70.9	95.3	0	0	0	111.2	D87 W88 C89 P90 V95 A97 V107 L146 V160	D87-W138 PolarHBondContact O-NE1 3.38Å; D87-W138 PolarHBondContact OD2-N 2.86Å; W88-W138 VanDerWaalsContact C-CD1 3.4Å; W88-W138 VanDerWaalsContact O-CD1 3.25Å; C89-W138 HydrophobicContact CB-CD2 4.03Å; C89-W138 HydrophobicContact CB-CE3 4.42Å; C89-W138 HydrophobicContact CB-CG 4.48Å; C89-W138 HydrophobicContact CB-CH2 4.4Å; C89-W138 HydrophobicContact CB-CZ2 4.02Å; P90-W138 HydrophobicContact CG-CB 4.07Å; V95-W138 HydrophobicContact CG1-CH2 3.95Å; V95-W138 HydrophobicContact CG1-CZ2 3.78Å; A97-W138 HydrophobicContact CB-CZ2 3.84Å; V107-W138 HydrophobicContact CG1-CH2 4.04Å; V107-W138 HydrophobicContact CG1-CZ2 4.06Å; V107-W138 HydrophobicContact CG2-CZ2 4.49Å; W138-L146 HydrophobicContact CD2-CD1 3.83Å; W138-L146 HydrophobicContact CE3-CB 4.08Å; W138-L146 HydrophobicContact CE3-CD1 4.24Å; W138-L146 HydrophobicContact CG-CD1 3.97Å; W138-L146 HydrophobicContact CZ3-CB 4.16Å; W138-V160 HydrophobicContact CH2-CB 4.38Å; W138-V160 HydrophobicContact CH2-CG1 4.32Å; W138-V160 HydrophobicContact CH2-CG2 4.03Å; W138-V160 HydrophobicContact CZ3-CB 4.39Å; W138-V160 HydrophobicContact CZ3-CG2 3.88Å
139	H	98.6	Very high	97.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.118	C	C	.	.			trans	-68.8	136.2	174.1	-173.6	-83.5	0	0	0	110.7	H91 T141 A142 V145 W182 G186 W377	H91-H139 PolarHBondContact CE1-O 3.44Å; H139-T141 PolarHBondContact CE1-OG1 2.68Å; H139-T141 PolarHBondContact ND1-N 3.17Å; H139-T141 PolarHBondContact O-N 2.95Å; H139-A142 VanDerWaalsContact CE1-CB 3.43Å; H139-A142 WeakPolarHBondContact CE1-CB 3.31Å; H139-A142 PolarHBondContact CE1-N 2.87Å; H139-A142 VanDerWaalsContact CE1-N 3.26Å; H139-A142 VanDerWaalsContact ND1-CB 3.32Å; H139-A142 WeakPolarHBondContact ND1-CB 3.29Å; H139-A142 PolarHBondContact ND1-N 2.91Å; H139-V145 HydrophobicContact CB-CB 3.63Å; H139-V145 HydrophobicContact CB-CG1 3.77Å; H139-V145 VanDerWaalsContact CB-O 3.23Å; H139-V145 WeakPolarHBondContact CB-O 3.39Å; H139-V145 PolarHBondContact N-O 3.42Å; H139-W182 HydrophobicContact CB-CZ2 4.49Å; H139-W182 AromaticContact CD2-CD2 3.99Å; H139-W182 AromaticContact CD2-CE2 3.84Å; H139-W182 AromaticContact CD2-CE3 3.92Å; H139-W182 AromaticContact CD2-CH2 3.6Å; H139-W182 AromaticContact CD2-CZ2 3.66Å; H139-W182 AromaticContact CD2-CZ3 3.72Å; H139-G186 VanDerWaalsContact NE2-CA 3.35Å; H139-G186 WeakPolarHBondContact NE2-CA 3.49Å; H139-G186 PolarHBondContact NE2-O 2.87Å; H139-G186 VanDerWaalsContact NE2-O 3.09Å; H139-W377 AromaticContact CD2-CE2 3.9Å; H139-W377 AromaticContact CD2-CZ2 3.99Å; H139-W377 AromaticContact CE1-CD1 3.71Å; H139-W377 AromaticContact CE1-NE1 3.62Å; H139-W377 AromaticContact NE2-CD1 3.56Å; H139-W377 AromaticContact NE2-CD2 3.91Å; H139-W377 AromaticContact NE2-CE2 3.27Å; H139-W377 VanDerWaalsContact NE2-CE2 3.27Å; H139-W377 AromaticContact NE2-CZ2 3.73Å; H139-W377 AromaticContact NE2-NE1 3Å; H139-W377 PolarHBondContact NE2-NE1 2.92Å
140	P	97.4	Very high	97.9	Very high	37 Å²	37	22.9 Å²	22.9	24%	0.24	12%	0.117	C	C	.	.	S	Bend	trans	-71.6	-30.4	-169.5	25.7	-34.5	0	0	0	114.4	H91 W182	H91-P140 PolarHBondContact NE2-O 3.06Å; P140-W182 HydrophobicContact CG-CB 4.1Å
141	T	97.6	Very high	97.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.096	C	C	.	.	S	Bend	trans	-122.4	-44.7	-167.1	59.9	0	0	0	0	114.5	H139 N185 P370 A371 L372 G383 P385	H139-T141 PolarHBondContact CE1-OG1 2.68Å; H139-T141 PolarHBondContact ND1-N 3.17Å; H139-T141 PolarHBondContact O-N 2.95Å; T141-N185 PolarHBondContact OG1-O 3.17Å; T141-P370 CarbonylContact O-C 3.55Å; T141-P370 VanDerWaalsContact O-CA 3.31Å; T141-P370 WeakPolarHBondContact O-CA 3.35Å; T141-P370 WeakPolarHBondContact O-CB 3.5Å; T141-A371 PolarHBondContact O-N 2.85Å; T141-L372 PolarHBondContact O-N 3.34Å; T141-G383 WeakPolarHBondContact CB-O 3.46Å; T141-G383 WeakPolarHBondContact CG2-O 3.4Å; T141-G383 PolarHBondContact OG1-O 3.01Å; T141-P385 HydrophobicContact CG2-CB 4.19Å; T141-P385 HydrophobicContact CG2-CG 3.63Å
142	A	97.7	Very high	97.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-72.2	134.2	171.6	0	0	0	0	0	113.1	H91 H139 V145 L372 W377	H91-A142 PolarHBondContact CE1-O 2.94Å; H139-A142 VanDerWaalsContact CE1-CB 3.43Å; H139-A142 WeakPolarHBondContact CE1-CB 3.31Å; H139-A142 PolarHBondContact CE1-N 2.87Å; H139-A142 VanDerWaalsContact CE1-N 3.26Å; H139-A142 VanDerWaalsContact ND1-CB 3.32Å; H139-A142 WeakPolarHBondContact ND1-CB 3.29Å; H139-A142 PolarHBondContact ND1-N 2.91Å; A142-V145 HydrophobicContact CB-CB 4.43Å; A142-V145 HydrophobicContact CB-CG2 3.96Å; A142-L372 CarbonylContact C-O 3.57Å; A142-L372 WeakPolarHBondContact CA-O 3.26Å; A142-L372 HydrophobicContact CB-CB 4.23Å; A142-W377 HydrophobicContact CB-CB 3.56Å; A142-W377 HydrophobicContact CB-CG 3.82Å
143	R	95.7	Very high	97.8	Very high	48 Å²	48	12.2 Å²	12.2	18%	0.181	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	144.1	177.3	-166.3	-162	-174.4	90.8	16.9	111.8	V145 P370 L372 E373 A374 R400	R143-V145 PolarHBondContact O-N 3.39Å; R143-P370 HydrophobicContact CB-CB 3.91Å; R143-P370 HydrophobicContact CB-CG 3.82Å; R143-P370 HydrophobicContact CG-CG 4.04Å; R143-L372 PolarHBondContact N-O 3.34Å; R143-E373 WeakPolarHBondContact CD-OE2 3.49Å; R143-E373 IonicContact NE-OE2 3.45Å; R143-E373 IonicContact NH1-OE1 2.68Å; R143-A374 WeakPolarHBondContact O-CB 3.43Å; R143-R400 VanDerWaalsContact NH1-NH1 3.12Å
144	N	95.7	Very high	97.7	Very high	26 Å²	26	14.1 Å²	14.1	14%	0.139	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	7.5	169.3	-64.9	-6.8	0	0	0	115.6	V160 F402	N144-V160 WeakPolarHBondContact O-CG2 3.48Å; N144-V160 PolarHBondContact O-N 2.97Å; N144-F402 WeakPolarHBondContact OD1-CE2 3.47Å
145	V	98.4	Very high	97.8	Very high	1 Å²	1	14 Å²	14	1%	0.006	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.3	175.6	-179.3	0	0	0	0	109	H139 A142 R143 I157 W158 A374 W377 F378	H139-V145 HydrophobicContact CB-CB 3.63Å; H139-V145 HydrophobicContact CB-CG1 3.77Å; H139-V145 VanDerWaalsContact CB-O 3.23Å; H139-V145 WeakPolarHBondContact CB-O 3.39Å; H139-V145 PolarHBondContact N-O 3.42Å; A142-V145 HydrophobicContact CB-CB 4.43Å; A142-V145 HydrophobicContact CB-CG2 3.96Å; R143-V145 PolarHBondContact O-N 3.39Å; V145-I157 HydrophobicContact CG1-CG2 3.5Å; V145-W158 WeakPolarHBondContact CA-O 3.46Å; V145-A374 HydrophobicContact CG2-CB 4.01Å; V145-W377 HydrophobicContact CG1-CE3 4.25Å; V145-W377 HydrophobicContact CG1-CZ3 4.11Å; V145-W377 HydrophobicContact CG2-CE3 4.31Å; V145-F378 HydrophobicContact CG1-CZ 4.28Å; V145-F378 HydrophobicContact CG2-CE2 3.87Å; V145-F378 HydrophobicContact CG2-CZ 4.05Å
146	L	98.7	Very high	97.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.4	179	177.1	63.7	0	0	0	109	A97 V105 V107 L126 W138 I157 W158 V160	A97-L146 HydrophobicContact CB-CD1 4.24Å; A97-L146 HydrophobicContact CB-CD2 3.81Å; V105-L146 HydrophobicContact CG1-CD2 3.9Å; V107-L146 HydrophobicContact CG2-CD2 4.09Å; L126-L146 HydrophobicContact CD1-CD2 3.93Å; W138-L146 HydrophobicContact CD2-CD1 3.83Å; W138-L146 HydrophobicContact CE3-CB 4.08Å; W138-L146 HydrophobicContact CE3-CD1 4.24Å; W138-L146 HydrophobicContact CG-CD1 3.97Å; W138-L146 HydrophobicContact CZ3-CB 4.16Å; L146-I157 WeakPolarHBondContact O-CA 3.25Å; L146-W158 PolarHBondContact N-O 3.13Å; L146-W158 VanDerWaalsContact N-O 3.17Å; L146-W158 PolarHBondContact O-N 2.79Å; L146-V160 HydrophobicContact CB-CG2 3.48Å; L146-V160 VanDerWaalsContact CB-CG2 3.48Å; L146-V160 HydrophobicContact CD2-CG2 4Å; L146-V160 HydrophobicContact CG-CG2 4.41Å
147	L	98.8	Very high	97.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.3	171.5	-176.8	152.5	0	0	0	109.7	I136 T137 I155 I156 I157 V180 W182 I189	I136-L147 WeakPolarHBondContact CA-O 3.33Å; T137-L147 HydrophobicContact CG2-CB 4.11Å; T137-L147 HydrophobicContact CG2-CD2 3.93Å; T137-L147 PolarHBondContact N-O 3.17Å; T137-L147 PolarHBondContact O-N 2.77Å; L147-I155 HydrophobicContact CD1-CG2 3.68Å; L147-I155 HydrophobicContact CD2-CG2 3.81Å; L147-I155 HydrophobicContact CG-CG2 3.61Å; L147-I156 WeakPolarHBondContact CA-O 3.27Å; L147-I157 HydrophobicContact CB-CG1 4.35Å; L147-I157 HydrophobicContact CD1-CD1 4.29Å; L147-I157 HydrophobicContact CD1-CG1 4.06Å; L147-I157 HydrophobicContact CG-CG1 4.16Å; L147-V180 HydrophobicContact CD1-CG1 3.84Å; L147-V180 HydrophobicContact CD2-CB 3.97Å; L147-V180 HydrophobicContact CD2-CG1 3.73Å; L147-V180 HydrophobicContact CD2-CG2 4.18Å; L147-W182 HydrophobicContact CB-CZ2 3.95Å; L147-W182 HydrophobicContact CD1-CH2 4.33Å; L147-W182 HydrophobicContact CD1-CZ2 3.66Å; L147-W182 HydrophobicContact CG-CZ2 4.47Å; L147-I189 HydrophobicContact CD1-CD1 4.18Å; L147-I189 HydrophobicContact CD1-CG2 3.83Å
148	S	98.7	Very high	97.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150	166.6	62.5	0	0	0	0	111.5	H129 I135 I155 I156 W158	H129-S148 PolarHBondContact CD2-OG 2.84Å; H129-S148 PolarHBondContact NE2-OG 3.36Å; I135-S148 WeakPolarHBondContact O-CA 3.37Å; S148-I155 WeakPolarHBondContact O-CA 3.48Å; S148-I156 PolarHBondContact N-O 3.43Å; S148-I156 PolarHBondContact O-N 3.37Å; S148-W158 PolarHBondContact OG-NE1 3.04Å
149	A	98.5	Very high	97.8	Very high	2 Å²	2	11.8 Å²	11.8	2%	0.017	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	135.1	169.6	0	0	0	0	0	111.3	G134 I135 Q154 I155 I177 V180	G134-A149 PolarHBondContact N-O 2.83Å; I135-A149 HydrophobicContact CB-CB 4.14Å; I135-A149 HydrophobicContact CD1-CB 4.21Å; I135-A149 PolarHBondContact N-O 2.96Å; I135-A149 PolarHBondContact O-N 2.92Å; A149-Q154 WeakPolarHBondContact CA-O 3.37Å; A149-I155 HydrophobicContact CB-CG1 3.98Å; A149-I177 HydrophobicContact CB-CD1 4.18Å; A149-I177 HydrophobicContact CB-CG2 4.45Å; A149-V180 HydrophobicContact CB-CG2 4.09Å
150	G	96.9	Very high	97.6	Very high	5 Å²	5	11.8 Å²	11.8	5%	0.052	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	169.1	-174.9	0	0	0	0	0	113.7	H129 R132 D152 N153 Q154	H129-G150 PolarHBondContact CE1-N 3.29Å; R132-G150 WeakPolarHBondContact O-CA 3.35Å; G150-D152 VanDerWaalsContact C-OD1 3.32Å; G150-D152 VanDerWaalsContact CA-OD1 3.27Å; G150-D152 WeakPolarHBondContact CA-OD1 3.41Å; G150-D152 PolarHBondContact O-N 2.91Å; G150-N153 PolarHBondContact O-N 2.92Å; G150-Q154 PolarHBondContact N-O 3.05Å
151	C	96.8	Very high	97.4	Very high	24 Å²	24	10.4 Å²	10.4	16%	0.162	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	7.9	169.2	-66.7	0	0	0	0	113.8	K131 R132	K131-C151 HydrophobicContact CB-CB 4.18Å; K131-C151 VanDerWaalsContact CD-C 3.44Å; K131-C151 HydrophobicContact CD-CB 4.41Å; K131-C151 WeakPolarHBondContact CD-O 3.18Å; K131-C151 PolarHBondContact NZ-O 3.25Å; R132-C151 HydrophobicContact CG-CB 3.79Å; R132-C151 WeakPolarHBondContact CG-SG 3.38Å; R132-C151 PolarHBondContact O-N 3.47Å
152	D	96.9	Very high	97.2	Very high	21 Å²	21	11 Å²	11	11%	0.112	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.9	160.7	46.2	20.7	0	0	0	112.4	H129 S130 K131 G150 Q154	H129-D152 WeakPolarHBondContact CA-OD2 3.49Å; H129-D152 WeakPolarHBondContact CB-OD2 3.46Å; H129-D152 IonicContact CE1-OD1 2.68Å; H129-D152 IonicContact CG-OD2 2.71Å; H129-D152 IonicContact ND1-OD1 3.63Å; H129-D152 PolarHBondContact ND1-OD1 3.15Å; H129-D152 IonicContact ND1-OD2 3.82Å; H129-D152 PolarHBondContact ND1-OD2 2.83Å; H129-D152 VanDerWaalsContact ND1-OD2 3.16Å; S130-D152 PolarHBondContact N-OD2 3Å; S130-D152 WeakPolarHBondContact OG-CB 3.43Å; S130-D152 PolarHBondContact OG-OD2 2.8Å; K131-D152 HydrophobicContact CB-CB 4.33Å; K131-D152 HydrophobicContact CD-CB 4.15Å; K131-D152 HydrophobicContact CG-CB 4.43Å; G150-D152 VanDerWaalsContact C-OD1 3.32Å; G150-D152 VanDerWaalsContact CA-OD1 3.27Å; G150-D152 WeakPolarHBondContact CA-OD1 3.41Å; G150-D152 PolarHBondContact O-N 2.91Å; D152-Q154 PolarHBondContact O-N 3.4Å; D152-Q154 PolarHBondContact OD1-N 3.37Å
153	N	97.5	Very high	97	Very high	29 Å²	29	12.2 Å²	12.2	16%	0.155	7%	0.071	C	C	.	.	S	Bend	trans	65.4	18.4	-179.5	-43.4	-21.5	0	0	0	112.9	G150 H173 D175 V176	G150-N153 PolarHBondContact O-N 2.92Å; N153-H173 HydrophobicContact CB-CB 4.31Å; N153-H173 WeakPolarHBondContact CB-O 3.02Å; N153-D175 VanDerWaalsContact CG-C 3.42Å; N153-D175 VanDerWaalsContact CG-O 3.28Å; N153-D175 WeakPolarHBondContact ND2-CA 3.36Å; N153-V176 WeakPolarHBondContact OD1-CA 3.34Å; N153-V176 PolarHBondContact OD1-N 3.09Å
154	Q	97.2	Very high	97	Very high	40 Å²	40	12.8 Å²	12.8	19%	0.187	8%	0.076	C	C	.	.			trans	-95.8	151.9	173.5	-63.8	-177.6	-17.5	0	0	110.3	H129 A149 G150 D152 E170	H129-Q154 PolarHBondContact CE1-O 3Å; A149-Q154 WeakPolarHBondContact CA-O 3.37Å; G150-Q154 PolarHBondContact N-O 3.05Å; D152-Q154 PolarHBondContact O-N 3.4Å; D152-Q154 PolarHBondContact OD1-N 3.37Å; Q154-E170 HydrophobicContact CG-CG 4.16Å; Q154-E170 PolarHBondContact NE2-OE2 3.16Å
155	I	98.6	Very high	97.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.8	167.7	-57.5	179	0	0	0	107.9	L147 S148 A149 L169 I177 V180 I189 T191	L147-I155 HydrophobicContact CD1-CG2 3.68Å; L147-I155 HydrophobicContact CD2-CG2 3.81Å; L147-I155 HydrophobicContact CG-CG2 3.61Å; S148-I155 WeakPolarHBondContact O-CA 3.48Å; A149-I155 HydrophobicContact CB-CG1 3.98Å; I155-L169 HydrophobicContact CB-CB 4.12Å; I155-L169 HydrophobicContact CB-CD1 4.24Å; I155-L169 HydrophobicContact CG2-CD1 4.37Å; I155-L169 PolarHBondContact N-O 3.36Å; I155-L169 PolarHBondContact O-N 3.02Å; I155-I177 HydrophobicContact CD1-CD1 4.01Å; I155-I177 HydrophobicContact CG1-CD1 3.54Å; I155-V180 HydrophobicContact CD1-CG2 3.95Å; I155-I189 HydrophobicContact CD1-CD1 3.94Å; I155-I189 HydrophobicContact CG2-CD1 4.44Å; I155-T191 HydrophobicContact CD1-CG2 3.74Å
156	I	98.6	Very high	97	Very high	6 Å²	6	18 Å²	18	3%	0.031	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.9	177.1	-52.2	176.3	0	0	0	109	L147 S148 W158 A165 I167	L147-I156 WeakPolarHBondContact CA-O 3.27Å; S148-I156 PolarHBondContact N-O 3.43Å; S148-I156 PolarHBondContact O-N 3.37Å; I156-W158 HydrophobicContact CB-CZ2 3.81Å; I156-W158 HydrophobicContact CD1-CH2 4.25Å; I156-W158 HydrophobicContact CD1-CZ2 3.85Å; I156-W158 HydrophobicContact CG1-CZ2 4.43Å; I156-W158 HydrophobicContact CG2-CD2 3.85Å; I156-W158 HydrophobicContact CG2-CE3 4.29Å; I156-W158 HydrophobicContact CG2-CG 4.43Å; I156-W158 HydrophobicContact CG2-CH2 3.97Å; I156-W158 HydrophobicContact CG2-CZ2 3.48Å; I156-W158 VanDerWaalsContact CG2-CZ2 3.48Å; I156-W158 HydrophobicContact CG2-CZ3 4.36Å; I156-A165 HydrophobicContact CG2-CB 3.88Å; I156-I167 WeakPolarHBondContact CA-O 3.43Å
157	I	98.7	Very high	97	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.4	175.1	-57.9	168.1	0	0	0	108.7	V145 L146 L147 M166 I167 W182 P203 W377 F378	V145-I157 HydrophobicContact CG1-CG2 3.5Å; L146-I157 WeakPolarHBondContact O-CA 3.25Å; L147-I157 HydrophobicContact CB-CG1 4.35Å; L147-I157 HydrophobicContact CD1-CD1 4.29Å; L147-I157 HydrophobicContact CD1-CG1 4.06Å; L147-I157 HydrophobicContact CG-CG1 4.16Å; I157-M166 PolarHBondContact O-N 2.77Å; I157-I167 HydrophobicContact CB-CB 4.22Å; I157-I167 HydrophobicContact CD1-CB 4.49Å; I157-I167 HydrophobicContact CD1-CD1 4.22Å; I157-I167 PolarHBondContact N-O 3.05Å; I157-I167 PolarHBondContact O-N 3.41Å; I157-W182 HydrophobicContact CD1-CH2 3.97Å; I157-W182 HydrophobicContact CD1-CZ2 4.32Å; I157-P203 HydrophobicContact CD1-CB 3.41Å; I157-P203 VanDerWaalsContact CD1-CB 3.41Å; I157-P203 HydrophobicContact CD1-CG 4.04Å; I157-W377 HydrophobicContact CD1-CH2 4.24Å; I157-W377 HydrophobicContact CG2-CH2 4.28Å; I157-W377 HydrophobicContact CG2-CZ3 4.03Å; I157-F378 HydrophobicContact CG2-CE1 4.15Å; I157-F378 HydrophobicContact CG2-CZ 4.23Å
158	W	98.6	Very high	96.9	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.015	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.5	-168.4	-51.7	89.5	0	0	0	111.3	L126 E127 V145 L146 S148 I156 V160 E164 A165	L126-W158 HydrophobicContact CB-CD2 3.97Å; L126-W158 HydrophobicContact CB-CE3 3.9Å; L126-W158 HydrophobicContact CB-CH2 4.07Å; L126-W158 HydrophobicContact CB-CZ2 4.13Å; L126-W158 HydrophobicContact CB-CZ3 3.94Å; L126-W158 HydrophobicContact CD1-CB 4.06Å; L126-W158 HydrophobicContact CD1-CD2 3.98Å; L126-W158 HydrophobicContact CD1-CE3 4.46Å; L126-W158 HydrophobicContact CD1-CG 3.79Å; L126-W158 HydrophobicContact CD2-CB 4.35Å; L126-W158 HydrophobicContact CD2-CD2 4.07Å; L126-W158 HydrophobicContact CD2-CE3 3.72Å; L126-W158 HydrophobicContact CD2-CG 4.36Å; L126-W158 HydrophobicContact CD2-CZ3 4.34Å; L126-W158 HydrophobicContact CG-CD2 4.23Å; L126-W158 HydrophobicContact CG-CE3 4.23Å; L126-W158 HydrophobicContact CG-CG 4.49Å; E127-W158 WeakPolarHBondContact O-CH2 3.34Å; V145-W158 WeakPolarHBondContact CA-O 3.46Å; L146-W158 PolarHBondContact N-O 3.13Å; L146-W158 VanDerWaalsContact N-O 3.17Å; L146-W158 PolarHBondContact O-N 2.79Å; S148-W158 PolarHBondContact OG-NE1 3.04Å; I156-W158 HydrophobicContact CB-CZ2 3.81Å; I156-W158 HydrophobicContact CD1-CH2 4.25Å; I156-W158 HydrophobicContact CD1-CZ2 3.85Å; I156-W158 HydrophobicContact CG1-CZ2 4.43Å; I156-W158 HydrophobicContact CG2-CD2 3.85Å; I156-W158 HydrophobicContact CG2-CE3 4.29Å; I156-W158 HydrophobicContact CG2-CG 4.43Å; I156-W158 HydrophobicContact CG2-CH2 3.97Å; I156-W158 HydrophobicContact CG2-CZ2 3.48Å; I156-W158 VanDerWaalsContact CG2-CZ2 3.48Å; I156-W158 HydrophobicContact CG2-CZ3 4.36Å; W158-V160 HydrophobicContact CB-CG2 4.45Å; W158-E164 WeakPolarHBondContact CA-O 3.37Å; W158-A165 HydrophobicContact CE3-CB 3.8Å; W158-A165 HydrophobicContact CH2-CB 4.25Å; W158-A165 HydrophobicContact CZ3-CB 3.61Å
159	N	97.5	Very high	96.8	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	99.7	155.8	-176	-17.2	0	0	0	108.1	G161 T162 G163 E164 M166 E375 F378	N159-G161 PolarHBondContact O-N 3.27Å; N159-G161 WeakPolarHBondContact OD1-CA 3.49Å; N159-G161 PolarHBondContact OD1-N 3.22Å; N159-T162 PolarHBondContact O-N 2.85Å; N159-T162 VanDerWaalsContact O-N 3.15Å; N159-T162 PolarHBondContact O-OG1 3.37Å; N159-T162 PolarHBondContact OD1-N 3.31Å; N159-G163 WeakPolarHBondContact O-CA 3.07Å; N159-G163 PolarHBondContact O-N 3.43Å; N159-E164 PolarHBondContact N-O 3.43Å; N159-E164 PolarHBondContact O-N 3.3Å; N159-M166 HydrophobicContact CB-CG 3.76Å; N159-M166 HydrophobicContact CB-SD 4.23Å; N159-E375 PolarHBondContact ND2-OE1 3.03Å; N159-F378 HydrophobicContact CB-CE2 4.15Å
160	V	95.6	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.3	-178.9	-164.7	0	0	0	0	111.5	V107 V124 L126 W138 N144 L146 W158 T162 F402	V107-V160 HydrophobicContact CB-CG1 3.99Å; V107-V160 HydrophobicContact CG1-CG1 4.03Å; V107-V160 HydrophobicContact CG2-CG1 3.68Å; V124-V160 HydrophobicContact CB-CG1 4.25Å; V124-V160 HydrophobicContact CG2-CG1 3.99Å; L126-V160 HydrophobicContact CD1-CG2 4.3Å; W138-V160 HydrophobicContact CH2-CB 4.38Å; W138-V160 HydrophobicContact CH2-CG1 4.32Å; W138-V160 HydrophobicContact CH2-CG2 4.03Å; W138-V160 HydrophobicContact CZ3-CB 4.39Å; W138-V160 HydrophobicContact CZ3-CG2 3.88Å; N144-V160 WeakPolarHBondContact O-CG2 3.48Å; N144-V160 PolarHBondContact O-N 2.97Å; L146-V160 HydrophobicContact CB-CG2 3.48Å; L146-V160 VanDerWaalsContact CB-CG2 3.48Å; L146-V160 HydrophobicContact CD2-CG2 4Å; L146-V160 HydrophobicContact CG-CG2 4.41Å; W158-V160 HydrophobicContact CB-CG2 4.45Å; V160-T162 VanDerWaalsContact C-N 3.31Å; V160-T162 PolarHBondContact O-N 2.9Å; V160-F402 HydrophobicContact CB-CZ 4.06Å; V160-F402 HydrophobicContact CG1-CE1 4.16Å; V160-F402 HydrophobicContact CG1-CZ 3.63Å
161	G	93	Very high	96.1	Very high	9 Å²	9	33.3 Å²	33.3	9%	0.093	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.1	173.9	0	0	0	0	0	113.6	N159 V404 V405	N159-G161 PolarHBondContact O-N 3.27Å; N159-G161 WeakPolarHBondContact OD1-CA 3.49Å; N159-G161 PolarHBondContact OD1-N 3.22Å; G161-V404 CarbonylContact O-C 3.58Å; G161-V404 WeakPolarHBondContact O-CA 3.43Å; G161-V405 PolarHBondContact O-N 3.24Å
162	T	93.4	Very high	96	Very high	14 Å²	14	33.3 Å²	33.3	9%	0.086	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-20.3	176.6	60.5	0	0	0	0	113.2	N159 V160 E164	N159-T162 PolarHBondContact O-N 2.85Å; N159-T162 VanDerWaalsContact O-N 3.15Å; N159-T162 PolarHBondContact O-OG1 3.37Å; N159-T162 PolarHBondContact OD1-N 3.31Å; V160-T162 VanDerWaalsContact C-N 3.31Å; V160-T162 PolarHBondContact O-N 2.9Å; T162-E164 VanDerWaalsContact C-N 3.32Å; T162-E164 WeakPolarHBondContact CB-OE2 3.35Å; T162-E164 WeakPolarHBondContact CG2-OE2 3.34Å; T162-E164 WeakPolarHBondContact OG1-CB 3.47Å; T162-E164 VanDerWaalsContact OG1-CG 3.29Å; T162-E164 WeakPolarHBondContact OG1-CG 3.48Å; T162-E164 PolarHBondContact OG1-N 3.14Å; T162-E164 PolarHBondContact OG1-OE2 3.01Å
163	G	93.8	Very high	96.1	Very high	24 Å²	24	32.7 Å²	32.7	25%	0.247	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	16.3	-171.1	0	0	0	0	0	113.4	N159	N159-G163 WeakPolarHBondContact O-CA 3.07Å; N159-G163 PolarHBondContact O-N 3.43Å
164	E	95.4	Very high	96	Very high	61 Å²	61	35.8 Å²	35.8	29%	0.285	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.4	-176	-63.9	167.1	144.7	0	0	110.8	W158 N159 T162 M166 K407	W158-E164 WeakPolarHBondContact CA-O 3.37Å; N159-E164 PolarHBondContact N-O 3.43Å; N159-E164 PolarHBondContact O-N 3.3Å; T162-E164 VanDerWaalsContact C-N 3.32Å; T162-E164 WeakPolarHBondContact CB-OE2 3.35Å; T162-E164 WeakPolarHBondContact CG2-OE2 3.34Å; T162-E164 WeakPolarHBondContact OG1-CB 3.47Å; T162-E164 VanDerWaalsContact OG1-CG 3.29Å; T162-E164 WeakPolarHBondContact OG1-CG 3.48Å; T162-E164 PolarHBondContact OG1-N 3.14Å; T162-E164 PolarHBondContact OG1-OE2 3.01Å; E164-M166 HydrophobicContact CB-SD 4.04Å; E164-M166 PolarHBondContact O-N 3Å; E164-K407 IonicContact OE1-NZ 3.62Å; E164-K407 IonicContact OE2-NZ 2.85Å; E164-K407 PolarHBondContact OE2-NZ 3.14Å
165	A	97.1	Very high	96	Very high	59 Å²	59	36.1 Å²	36.1	49%	0.488	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.7	161.8	0	0	0	0	0	108	I156 W158	I156-A165 HydrophobicContact CG2-CB 3.88Å; W158-A165 HydrophobicContact CE3-CB 3.8Å; W158-A165 HydrophobicContact CH2-CB 4.25Å; W158-A165 HydrophobicContact CZ3-CB 3.61Å
166	M	97.6	Very high	95.8	Very high	78 Å²	78	38 Å²	38	38%	0.384	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-33.3	-172	-65.1	-66.1	-59.5	0	0	112.5	I157 N159 E164 F378	I157-M166 PolarHBondContact O-N 2.77Å; N159-M166 HydrophobicContact CB-CG 3.76Å; N159-M166 HydrophobicContact CB-SD 4.23Å; E164-M166 HydrophobicContact CB-SD 4.04Å; E164-M166 PolarHBondContact O-N 3Å; M166-F378 HydrophobicContact CB-CD1 3.89Å; M166-F378 HydrophobicContact CB-CE1 3.23Å; M166-F378 HydrophobicContact CB-CE2 4.1Å; M166-F378 HydrophobicContact CB-CZ 3.39Å; M166-F378 HydrophobicContact CE-CB 4.47Å; M166-F378 HydrophobicContact CE-CD1 4.3Å; M166-F378 HydrophobicContact CE-CD2 3.86Å; M166-F378 HydrophobicContact CE-CE2 4.19Å; M166-F378 HydrophobicContact CE-CG 3.96Å; M166-F378 HydrophobicContact CG-CD1 4.5Å; M166-F378 HydrophobicContact CG-CD2 4.36Å; M166-F378 HydrophobicContact CG-CE1 3.86Å; M166-F378 HydrophobicContact CG-CE2 3.75Å; M166-F378 HydrophobicContact CG-CZ 3.48Å; M166-F378 VanDerWaalsContact CG-CZ 3.48Å
167	I	97.6	Very high	95.8	Very high	15 Å²	15	38 Å²	38	8%	0.077	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.3	176	-55.6	167	0	0	0	107.3	I156 I157 L169 P203 R204 W377 F378	I156-I167 WeakPolarHBondContact CA-O 3.43Å; I157-I167 HydrophobicContact CB-CB 4.22Å; I157-I167 HydrophobicContact CD1-CB 4.49Å; I157-I167 HydrophobicContact CD1-CD1 4.22Å; I157-I167 PolarHBondContact N-O 3.05Å; I157-I167 PolarHBondContact O-N 3.41Å; I167-L169 HydrophobicContact CG2-CD2 3.71Å; I167-L169 HydrophobicContact CG2-CG 4.14Å; I167-P203 WeakPolarHBondContact CG2-O 3.49Å; I167-R204 HydrophobicContact CD1-CB 4.47Å; I167-R204 HydrophobicContact CD1-CG 3.83Å; I167-W377 HydrophobicContact CD1-CH2 4.19Å; I167-W377 HydrophobicContact CD1-CZ3 4.08Å; I167-F378 HydrophobicContact CD1-CD1 4.07Å; I167-F378 HydrophobicContact CD1-CE1 3.99Å; I167-F378 HydrophobicContact CG1-CD1 4.35Å; I167-F378 HydrophobicContact CG1-CE1 4.19Å
168	S	97.1	Very high	95.8	Very high	40 Å²	40	39.9 Å²	39.9	28%	0.28	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.4	171.6	-167.8	0	0	0	0	108.2	E170	S168-E170 WeakPolarHBondContact CB-OE1 3.48Å; S168-E170 PolarHBondContact O-N 3.14Å; S168-E170 VanDerWaalsContact OG-CG 3.3Å; S168-E170 WeakPolarHBondContact OG-CG 3.3Å; S168-E170 PolarHBondContact OG-OE1 3.03Å
169	L	96.7	Very high	95.7	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	92.1	176.1	-57	-178.7	0	0	0	108.3	I155 I167 M172 I189 I201 P203 E206	I155-L169 HydrophobicContact CB-CB 4.12Å; I155-L169 HydrophobicContact CB-CD1 4.24Å; I155-L169 HydrophobicContact CG2-CD1 4.37Å; I155-L169 PolarHBondContact N-O 3.36Å; I155-L169 PolarHBondContact O-N 3.02Å; I167-L169 HydrophobicContact CG2-CD2 3.71Å; I167-L169 HydrophobicContact CG2-CG 4.14Å; L169-M172 HydrophobicContact CB-CG 4.31Å; L169-M172 HydrophobicContact CB-SD 3.83Å; L169-M172 HydrophobicContact CD1-SD 4.05Å; L169-M172 HydrophobicContact CD2-SD 3.89Å; L169-M172 HydrophobicContact CG-SD 4.14Å; L169-I189 HydrophobicContact CD1-CD1 3.9Å; L169-I201 HydrophobicContact CD1-CG2 4.13Å; L169-P203 HydrophobicContact CD1-CB 4.14Å; L169-E206 HydrophobicContact CD2-CB 4.11Å; L169-E206 HydrophobicContact CD2-CG 3.8Å
170	E	92.1	Very high	95.7	Very high	105 Å²	105	41.3 Å²	41.3	49%	0.491	24%	0.237	S	C	.	.			trans	-97.2	152.7	178.9	-53.6	-173.6	-159	0	0	109.8	Q154 S168 M172	Q154-E170 HydrophobicContact CG-CG 4.16Å; Q154-E170 PolarHBondContact NE2-OE2 3.16Å; S168-E170 WeakPolarHBondContact CB-OE1 3.48Å; S168-E170 PolarHBondContact O-N 3.14Å; S168-E170 VanDerWaalsContact OG-CG 3.3Å; S168-E170 WeakPolarHBondContact OG-CG 3.3Å; S168-E170 PolarHBondContact OG-OE1 3.03Å; E170-M172 PolarHBondContact O-N 3.18Å
171	D	89.4	Confident	95.9	Very high	166 Å²	166	42.2 Å²	42.2	89%	0.888	24%	0.243	S	C	*	.	S	Bend	trans	55.9	4.2	178.4	-61	-28.8	0	0	0	117.8	H173	D171-H173 VanDerWaalsContact C-N 3.29Å; D171-H173 PolarHBondContact O-N 3.27Å
172	M	94.6	Very high	96.1	Very high	24 Å²	24	42.7 Å²	42.7	12%	0.118	24%	0.242	C	C	.	.	S	Bend	trans	-72.9	-17.6	174.1	-59.3	-161.9	81.7	0	0	114	L169 E170 I201 I208	L169-M172 HydrophobicContact CB-CG 4.31Å; L169-M172 HydrophobicContact CB-SD 3.83Å; L169-M172 HydrophobicContact CD1-SD 4.05Å; L169-M172 HydrophobicContact CD2-SD 3.89Å; L169-M172 HydrophobicContact CG-SD 4.14Å; E170-M172 PolarHBondContact O-N 3.18Å; M172-I201 HydrophobicContact CE-CB 4.44Å; M172-I201 HydrophobicContact CE-CD1 3.87Å; M172-I201 HydrophobicContact CE-CG1 3.84Å; M172-I201 HydrophobicContact CE-CG2 3.75Å; M172-I201 HydrophobicContact SD-CD1 4.12Å; M172-I201 HydrophobicContact SD-CG2 4.01Å; M172-I208 HydrophobicContact CE-CD1 4.33Å; M172-I208 HydrophobicContact CE-CG1 3.47Å; M172-I208 VanDerWaalsContact CE-CG1 3.47Å
173	H	97.3	Very high	96.3	Very high	7 Å²	7	43 Å²	43	3%	0.032	24%	0.243	C	C	.	.			trans	-132.5	110.5	-176.4	-63.5	91.6	0	0	0	110.9	N153 D171 D175 I177 T191	N153-H173 HydrophobicContact CB-CB 4.31Å; N153-H173 WeakPolarHBondContact CB-O 3.02Å; D171-H173 VanDerWaalsContact C-N 3.29Å; D171-H173 PolarHBondContact O-N 3.27Å; H173-D175 PolarHBondContact O-N 2.98Å; H173-I177 HydrophobicContact CB-CD1 4.13Å; H173-I177 HydrophobicContact CB-CG1 3.82Å; H173-T191 WeakPolarHBondContact NE2-CB 3.1Å; H173-T191 PolarHBondContact NE2-OG1 2.93Å
174	P	96.4	Very high	96.4	Very high	95 Å²	95	46.9 Å²	46.9	62%	0.617	25%	0.25	S	S	*	.	S	Bend	trans	-75.8	-10.1	-175.8	31.2	-36.6	0	0	0	113.9	D195	P174-D195 WeakPolarHBondContact CD-OD2 3.46Å; P174-D195 HydrophobicContact CG-CB 4.13Å; P174-D195 WeakPolarHBondContact CG-OD2 3.11Å
175	D	96.3	Very high	96.4	Very high	47 Å²	47	45.6 Å²	45.6	25%	0.251	25%	0.245	S	C	.	.	S	Bend	trans	-149	179.7	-177.8	-153.8	-26.4	0	0	0	109.8	N153 H173 I177 C193 K194	N153-D175 VanDerWaalsContact CG-C 3.42Å; N153-D175 VanDerWaalsContact CG-O 3.28Å; N153-D175 WeakPolarHBondContact ND2-CA 3.36Å; H173-D175 PolarHBondContact O-N 2.98Å; D175-I177 PolarHBondContact O-N 2.84Å; D175-C193 PolarHBondContact O-SG 3.15Å; D175-C193 VanDerWaalsContact O-SG 3.37Å; D175-K194 HydrophobicContact CB-CB 3.98Å; D175-K194 HydrophobicContact CB-CG 4.44Å; D175-K194 WeakPolarHBondContact OD1-CD 3.35Å; D175-K194 IonicContact OD1-NZ 3.27Å; D175-K194 PolarHBondContact OD1-NZ 2.82Å; D175-K194 WeakPolarHBondContact OD2-CG 3.43Å; D175-K194 IonicContact OD2-NZ 3.15Å; D175-K194 PolarHBondContact OD2-NZ 2.59Å
176	V	96.1	Very high	96.4	Very high	40 Å²	40	42.8 Å²	42.8	24%	0.242	22%	0.222	C	C	.	.			trans	-53.8	123.7	-173.1	178.4	0	0	0	0	112.1	N153 Y178 K194	N153-V176 WeakPolarHBondContact OD1-CA 3.34Å; N153-V176 PolarHBondContact OD1-N 3.09Å; V176-Y178 HydrophobicContact CG1-CD1 4.41Å; V176-Y178 PolarHBondContact O-N 3.09Å; V176-K194 HydrophobicContact CB-CB 4.17Å; V176-K194 HydrophobicContact CB-CD 4.16Å; V176-K194 HydrophobicContact CG2-CD 4.33Å; V176-K194 WeakPolarHBondContact O-CB 3.36Å; V176-K194 PolarHBondContact O-N 3.49Å
177	I	98.1	Very high	96.4	Very high	6 Å²	6	40 Å²	40	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.1	168.7	-57.1	166.9	0	0	0	108.1	I135 A149 I155 H173 D175 V180	I135-I177 HydrophobicContact CD1-CB 4.4Å; I135-I177 HydrophobicContact CD1-CG2 3.85Å; A149-I177 HydrophobicContact CB-CD1 4.18Å; A149-I177 HydrophobicContact CB-CG2 4.45Å; I155-I177 HydrophobicContact CD1-CD1 4.01Å; I155-I177 HydrophobicContact CG1-CD1 3.54Å; H173-I177 HydrophobicContact CB-CD1 4.13Å; H173-I177 HydrophobicContact CB-CG1 3.82Å; D175-I177 PolarHBondContact O-N 2.84Å; I177-V180 HydrophobicContact CG2-CG2 3.8Å
178	Y	97.4	Very high	96.4	Very high	39 Å²	39	41.1 Å²	41.1	15%	0.153	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-37.1	-179.4	-72.5	-43	0	0	0	112.7	V176 S192 K194 P221 M222 R223	V176-Y178 HydrophobicContact CG1-CD1 4.41Å; V176-Y178 PolarHBondContact O-N 3.09Å; Y178-S192 PolarHBondContact N-O 2.78Å; Y178-K194 HydrophobicContact CE1-CB 4.18Å; Y178-K194 HydrophobicContact CE1-CD 4.49Å; Y178-K194 VanDerWaalsContact CE2-CA 3.43Å; Y178-K194 HydrophobicContact CE2-CB 3.82Å; Y178-K194 HydrophobicContact CE2-CG 4.47Å; Y178-K194 WeakPolarHBondContact OH-CG 3.35Å; Y178-P221 HydrophobicContact CD1-CB 3.78Å; Y178-P221 HydrophobicContact CD1-CG 4.21Å; Y178-P221 HydrophobicContact CD2-CB 4.15Å; Y178-P221 HydrophobicContact CE1-CB 3.75Å; Y178-P221 HydrophobicContact CE1-CG 3.75Å; Y178-P221 HydrophobicContact CE2-CB 4.1Å; Y178-P221 HydrophobicContact CG-CB 3.98Å; Y178-M222 WeakPolarHBondContact CB-O 3.39Å; Y178-R223 PolarHBondContact O-NH1 2.85Å
179	N	97.3	Very high	96.5	Very high	31 Å²	31	39.2 Å²	39.2	17%	0.166	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	152.8	179.9	168.4	-123.8	0	0	0	110.5	T191 S192 A224	N179-T191 WeakPolarHBondContact O-CA 3.44Å; N179-S192 PolarHBondContact N-OG 2.96Å; N179-S192 PolarHBondContact O-N 2.81Å; N179-A224 PolarHBondContact OD1-O 3.1Å
180	V	98.3	Very high	96.5	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.1	171.2	-173.4	0	0	0	0	108.1	I135 L147 A149 I155 I177 I189 C190 T191	I135-V180 HydrophobicContact CG2-CB 4.23Å; I135-V180 HydrophobicContact CG2-CG2 4.23Å; L147-V180 HydrophobicContact CD1-CG1 3.84Å; L147-V180 HydrophobicContact CD2-CB 3.97Å; L147-V180 HydrophobicContact CD2-CG1 3.73Å; L147-V180 HydrophobicContact CD2-CG2 4.18Å; A149-V180 HydrophobicContact CB-CG2 4.09Å; I155-V180 HydrophobicContact CD1-CG2 3.95Å; I177-V180 HydrophobicContact CG2-CG2 3.8Å; V180-I189 HydrophobicContact CG1-CB 4.02Å; V180-I189 HydrophobicContact CG1-CD1 4.28Å; V180-I189 HydrophobicContact CG1-CG2 4.3Å; V180-C190 CarbonylContact C-O 3.47Å; V180-C190 WeakPolarHBondContact CA-O 3.36Å; V180-T191 HydrophobicContact CG1-CG2 4.12Å; V180-T191 HydrophobicContact CG2-CG2 4.14Å
181	S	98.1	Very high	96.8	Very high	19 Å²	19	34.1 Å²	34.1	13%	0.133	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	124.2	179.4	172.9	0	0	0	0	110.2	I189 C190 A224 F226	S181-I189 CarbonylContact O-C 3.56Å; S181-I189 WeakPolarHBondContact O-CA 3.23Å; S181-C190 PolarHBondContact N-O 3.4Å; S181-C190 PolarHBondContact O-N 2.8Å; S181-A224 WeakPolarHBondContact CB-O 3.49Å; S181-F226 WeakPolarHBondContact O-CD2 3.4Å; S181-F226 PolarHBondContact OG-N 2.86Å
182	W	98.5	Very high	97.2	Very high	20 Å²	20	26.2 Å²	26.2	8%	0.076	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	143.6	169	-73.1	110.2	0	0	0	111.2	H139 P140 L147 I157 G186 I189 P203 W377	H139-W182 HydrophobicContact CB-CZ2 4.49Å; H139-W182 AromaticContact CD2-CD2 3.99Å; H139-W182 AromaticContact CD2-CE2 3.84Å; H139-W182 AromaticContact CD2-CE3 3.92Å; H139-W182 AromaticContact CD2-CH2 3.6Å; H139-W182 AromaticContact CD2-CZ2 3.66Å; H139-W182 AromaticContact CD2-CZ3 3.72Å; P140-W182 HydrophobicContact CG-CB 4.1Å; L147-W182 HydrophobicContact CB-CZ2 3.95Å; L147-W182 HydrophobicContact CD1-CH2 4.33Å; L147-W182 HydrophobicContact CD1-CZ2 3.66Å; L147-W182 HydrophobicContact CG-CZ2 4.47Å; I157-W182 HydrophobicContact CD1-CH2 3.97Å; I157-W182 HydrophobicContact CD1-CZ2 4.32Å; W182-G186 VanDerWaalsContact CZ3-O 3.29Å; W182-G186 WeakPolarHBondContact CZ3-O 3.39Å; W182-I189 HydrophobicContact CD2-CG2 3.7Å; W182-I189 HydrophobicContact CE3-CG2 3.36Å; W182-I189 HydrophobicContact CH2-CG2 3.79Å; W182-I189 HydrophobicContact CZ2-CG2 4.11Å; W182-I189 HydrophobicContact CZ3-CG2 3.41Å; W182-I189 VanDerWaalsContact CZ3-CG2 3.41Å; W182-P203 HydrophobicContact CH2-CG 4.03Å; W182-P203 HydrophobicContact CZ3-CG 3.96Å; W182-W377 AromaticContact CH2-CH2 3.76Å; W182-W377 HydrophobicContact CH2-CH2 3.76Å; W182-W377 AromaticContact CH2-CZ2 3.69Å; W182-W377 HydrophobicContact CH2-CZ2 3.69Å; W182-W377 HydrophobicContact CZ3-CH2 4.33Å; W182-W377 AromaticContact CZ3-CZ2 3.82Å; W182-W377 HydrophobicContact CZ3-CZ2 3.82Å
183	N	97.6	Very high	97.3	Very high	19 Å²	19	25.1 Å²	25.1	10%	0.102	13%	0.131	C	C	.	.			trans	-73.3	169.6	164.4	73.4	-18.9	0	0	0	111	N185 G186 S187 L188 F226	N183-N185 PolarHBondContact ND2-OD1 2.96Å; N183-N185 PolarHBondContact O-N 2.94Å; N183-N185 PolarHBondContact OD1-OD1 3Å; N183-G186 PolarHBondContact O-N 2.83Å; N183-G186 VanDerWaalsContact OD1-CA 3.29Å; N183-G186 WeakPolarHBondContact OD1-CA 3.4Å; N183-G186 PolarHBondContact OD1-N 3.14Å; N183-S187 PolarHBondContact ND2-OG 2.78Å; N183-S187 PolarHBondContact OD1-N 3Å; N183-L188 HydrophobicContact CB-CB 4.42Å; N183-L188 PolarHBondContact N-O 2.84Å; N183-L188 PolarHBondContact OD1-N 2.87Å; N183-L188 PolarHBondContact OD1-O 2.97Å; N183-F226 VanDerWaalsContact CA-CD2 3.4Å; N183-F226 HydrophobicContact CB-CB 4.29Å; N183-F226 HydrophobicContact CB-CD1 4.09Å; N183-F226 HydrophobicContact CB-CD2 3.52Å; N183-F226 HydrophobicContact CB-CE1 4.21Å; N183-F226 HydrophobicContact CB-CE2 3.6Å; N183-F226 HydrophobicContact CB-CG 3.73Å; N183-F226 HydrophobicContact CB-CZ 3.96Å; N183-F226 VanDerWaalsContact N-CD2 3.27Å
184	R	95.2	Very high	97.3	Very high	107 Å²	107	29.3 Å²	29.3	40%	0.404	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.1	-171	-172	176.9	-174.1	163.2	5.3	115.1	P385	R184-P385 HydrophobicContact CG-CG 4.39Å; R184-P385 WeakPolarHBondContact O-CD 3.48Å; R184-P385 VanDerWaalsContact O-CG 3.32Å; R184-P385 WeakPolarHBondContact O-CG 3.44Å
185	N	95.3	Very high	97.3	Very high	34 Å²	34	27 Å²	27	18%	0.182	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	0.1	-178.1	67.3	2.6	0	0	0	114.1	T141 N183 S187 D384	T141-N185 PolarHBondContact OG1-O 3.17Å; N183-N185 PolarHBondContact ND2-OD1 2.96Å; N183-N185 PolarHBondContact O-N 2.94Å; N183-N185 PolarHBondContact OD1-OD1 3Å; N185-S187 VanDerWaalsContact C-N 3.31Å; N185-S187 PolarHBondContact O-N 2.91Å; N185-S187 VanDerWaalsContact OD1-CB 3.3Å; N185-S187 WeakPolarHBondContact OD1-CB 3.31Å; N185-S187 PolarHBondContact OD1-N 2.91Å; N185-S187 PolarHBondContact OD1-OG 3.42Å; N185-D384 WeakPolarHBondContact CB-OD1 3.33Å
186	G	96.9	Very high	97.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	71.1	17.6	-177.9	0	0	0	0	0	115.1	H139 W182 N183 W377	H139-G186 VanDerWaalsContact NE2-CA 3.35Å; H139-G186 WeakPolarHBondContact NE2-CA 3.49Å; H139-G186 PolarHBondContact NE2-O 2.87Å; H139-G186 VanDerWaalsContact NE2-O 3.09Å; W182-G186 VanDerWaalsContact CZ3-O 3.29Å; W182-G186 WeakPolarHBondContact CZ3-O 3.39Å; N183-G186 PolarHBondContact O-N 2.83Å; N183-G186 VanDerWaalsContact OD1-CA 3.29Å; N183-G186 WeakPolarHBondContact OD1-CA 3.4Å; N183-G186 PolarHBondContact OD1-N 3.14Å; G186-W377 WeakPolarHBondContact O-CZ2 3.33Å; G186-W377 PolarHBondContact O-NE1 3.34Å
187	S	97.5	Very high	97.2	Very high	20 Å²	20	26 Å²	26	14%	0.14	12%	0.123	C	C	.	.	S	Bend	trans	-77.7	-23.7	175.8	74.4	0	0	0	0	113.9	N183 N185 N382	N183-S187 PolarHBondContact ND2-OG 2.78Å; N183-S187 PolarHBondContact OD1-N 3Å; N185-S187 VanDerWaalsContact C-N 3.31Å; N185-S187 PolarHBondContact O-N 2.91Å; N185-S187 VanDerWaalsContact OD1-CB 3.3Å; N185-S187 WeakPolarHBondContact OD1-CB 3.31Å; N185-S187 PolarHBondContact OD1-N 2.91Å; N185-S187 PolarHBondContact OD1-OG 3.42Å; S187-N382 VanDerWaalsContact CB-OD1 3.22Å; S187-N382 WeakPolarHBondContact CB-OD1 3.44Å
188	L	98.1	Very high	97.2	Very high	38 Å²	38	25.8 Å²	25.8	20%	0.199	12%	0.122	C	C	.	.			trans	-137.9	152.6	-175.7	-61.5	174.5	0	0	0	111.2	N183 V200 I201 D202 V209 F226	N183-L188 HydrophobicContact CB-CB 4.42Å; N183-L188 PolarHBondContact N-O 2.84Å; N183-L188 PolarHBondContact OD1-N 2.87Å; N183-L188 PolarHBondContact OD1-O 2.97Å; L188-V200 HydrophobicContact CB-CG1 4.39Å; L188-V200 HydrophobicContact CD1-CG1 3.93Å; L188-I201 WeakPolarHBondContact CA-O 3.48Å; L188-D202 HydrophobicContact CD2-CB 3.78Å; L188-V209 HydrophobicContact CD2-CG2 3.98Å; L188-F226 HydrophobicContact CB-CE2 4.34Å; L188-F226 HydrophobicContact CB-CZ 3.98Å
189	I	98.6	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.3	167	63	178.9	0	0	0	110.9	L147 I155 L169 V180 S181 W182 T191 V200 I201	L147-I189 HydrophobicContact CD1-CD1 4.18Å; L147-I189 HydrophobicContact CD1-CG2 3.83Å; I155-I189 HydrophobicContact CD1-CD1 3.94Å; I155-I189 HydrophobicContact CG2-CD1 4.44Å; L169-I189 HydrophobicContact CD1-CD1 3.9Å; V180-I189 HydrophobicContact CG1-CB 4.02Å; V180-I189 HydrophobicContact CG1-CD1 4.28Å; V180-I189 HydrophobicContact CG1-CG2 4.3Å; S181-I189 CarbonylContact O-C 3.56Å; S181-I189 WeakPolarHBondContact O-CA 3.23Å; W182-I189 HydrophobicContact CD2-CG2 3.7Å; W182-I189 HydrophobicContact CE3-CG2 3.36Å; W182-I189 HydrophobicContact CH2-CG2 3.79Å; W182-I189 HydrophobicContact CZ2-CG2 4.11Å; W182-I189 HydrophobicContact CZ3-CG2 3.41Å; W182-I189 VanDerWaalsContact CZ3-CG2 3.41Å; I189-T191 HydrophobicContact CD1-CG2 4.19Å; I189-T191 HydrophobicContact CG1-CG2 4.3Å; I189-V200 WeakPolarHBondContact O-CA 3.31Å; I189-I201 HydrophobicContact CD1-CB 4.32Å; I189-I201 HydrophobicContact CD1-CG2 4.44Å; I189-I201 HydrophobicContact CG1-CB 3.79Å; I189-I201 HydrophobicContact CG1-CG2 4.29Å; I189-I201 PolarHBondContact N-O 3.03Å; I189-I201 PolarHBondContact O-N 2.94Å
190	C	98.3	Very high	97.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.3	168.3	-177.3	0	0	0	0	107.6	V180 S181 R199 A224 F226	V180-C190 CarbonylContact C-O 3.47Å; V180-C190 WeakPolarHBondContact CA-O 3.36Å; S181-C190 PolarHBondContact N-O 3.4Å; S181-C190 PolarHBondContact O-N 2.8Å; C190-R199 WeakPolarHBondContact CA-O 3.35Å; C190-A224 VanDerWaalsContact SG-CB 3.55Å; C190-F226 HydrophobicContact CB-CD2 3.7Å; C190-F226 HydrophobicContact CB-CE1 4.44Å; C190-F226 HydrophobicContact CB-CE2 3.41Å; C190-F226 VanDerWaalsContact CB-CE2 3.41Å; C190-F226 HydrophobicContact CB-CG 4.39Å; C190-F226 HydrophobicContact CB-CZ 3.82Å
191	T	98.3	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.4	-176.8	62.1	0	0	0	0	110.2	I155 H173 N179 V180 I189 I198 R199 I201	I155-T191 HydrophobicContact CD1-CG2 3.74Å; H173-T191 WeakPolarHBondContact NE2-CB 3.1Å; H173-T191 PolarHBondContact NE2-OG1 2.93Å; N179-T191 WeakPolarHBondContact O-CA 3.44Å; V180-T191 HydrophobicContact CG1-CG2 4.12Å; V180-T191 HydrophobicContact CG2-CG2 4.14Å; I189-T191 HydrophobicContact CD1-CG2 4.19Å; I189-T191 HydrophobicContact CG1-CG2 4.3Å; T191-I198 VanDerWaalsContact O-CA 3.31Å; T191-I198 WeakPolarHBondContact O-CA 3.23Å; T191-R199 PolarHBondContact N-O 3.36Å; T191-R199 PolarHBondContact O-N 3.02Å; T191-R199 PolarHBondContact OG1-O 3.37Å; T191-I201 HydrophobicContact CG2-CD1 4.21Å
192	S	97.6	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.1	168.2	59.8	0	0	0	0	110.8	Y178 N179 M222	Y178-S192 PolarHBondContact N-O 2.78Å; N179-S192 PolarHBondContact N-OG 2.96Å; N179-S192 PolarHBondContact O-N 2.81Å; S192-M222 PolarHBondContact OG-O 3.06Å
193	C	97.1	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.4	-171	-178.4	0	0	0	0	112.4	D175 D195 K196 S197	D175-C193 PolarHBondContact O-SG 3.15Å; D175-C193 VanDerWaalsContact O-SG 3.37Å; C193-D195 WeakPolarHBondContact CB-OD1 3.36Å; C193-D195 PolarHBondContact O-N 2.86Å; C193-D195 PolarHBondContact SG-OD1 2.85Å; C193-D195 PolarHBondContact SG-OD2 3.39Å; C193-D195 VanDerWaalsContact SG-OD2 3.38Å; C193-K196 WeakPolarHBondContact O-CA 3.33Å; C193-K196 PolarHBondContact O-N 2.7Å; C193-S197 PolarHBondContact N-O 3.2Å; C193-S197 VanDerWaalsContact N-O 3.13Å
194	K	96.6	Very high	97.2	Very high	95 Å²	95	23.3 Å²	23.3	41%	0.413	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.3	179.4	178.7	164.5	155	-76.3	0	114.3	D175 V176 Y178 K196	D175-K194 HydrophobicContact CB-CB 3.98Å; D175-K194 HydrophobicContact CB-CG 4.44Å; D175-K194 WeakPolarHBondContact OD1-CD 3.35Å; D175-K194 IonicContact OD1-NZ 3.27Å; D175-K194 PolarHBondContact OD1-NZ 2.82Å; D175-K194 WeakPolarHBondContact OD2-CG 3.43Å; D175-K194 IonicContact OD2-NZ 3.15Å; D175-K194 PolarHBondContact OD2-NZ 2.59Å; V176-K194 HydrophobicContact CB-CB 4.17Å; V176-K194 HydrophobicContact CB-CD 4.16Å; V176-K194 HydrophobicContact CG2-CD 4.33Å; V176-K194 WeakPolarHBondContact O-CB 3.36Å; V176-K194 PolarHBondContact O-N 3.49Å; Y178-K194 HydrophobicContact CE1-CB 4.18Å; Y178-K194 HydrophobicContact CE1-CD 4.49Å; Y178-K194 VanDerWaalsContact CE2-CA 3.43Å; Y178-K194 HydrophobicContact CE2-CB 3.82Å; Y178-K194 HydrophobicContact CE2-CG 4.47Å; Y178-K194 WeakPolarHBondContact OH-CG 3.35Å; K194-K196 PolarHBondContact O-N 3.28Å
195	D	95.6	Very high	97.2	Very high	46 Å²	46	25 Å²	25	25%	0.246	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-7	164.4	62.6	8.2	0	0	0	113.7	P174 C193 S197 R199	P174-D195 WeakPolarHBondContact CD-OD2 3.46Å; P174-D195 HydrophobicContact CG-CB 4.13Å; P174-D195 WeakPolarHBondContact CG-OD2 3.11Å; C193-D195 WeakPolarHBondContact CB-OD1 3.36Å; C193-D195 PolarHBondContact O-N 2.86Å; C193-D195 PolarHBondContact SG-OD1 2.85Å; C193-D195 PolarHBondContact SG-OD2 3.39Å; C193-D195 VanDerWaalsContact SG-OD2 3.38Å; D195-S197 VanDerWaalsContact C-N 3.33Å; D195-S197 WeakPolarHBondContact OD1-CB 3.41Å; D195-S197 PolarHBondContact OD1-N 3.28Å; D195-R199 IonicContact OD1-NH1 2.79Å; D195-R199 IonicContact OD2-CZ 3.98Å; D195-R199 VanDerWaalsContact OD2-CZ 3.27Å; D195-R199 IonicContact OD2-NH1 3.62Å; D195-R199 PolarHBondContact OD2-NH1 3.26Å; D195-R199 IonicContact OD2-NH2 2.78Å; D195-R199 PolarHBondContact OD2-NH2 3.38Å
196	K	95.6	Very high	97.3	Very high	62 Å²	62	29.2 Å²	29.2	27%	0.27	14%	0.135	S	C	.	.	S	Bend	trans	74.7	11.3	-174.5	-45.6	-178.5	-176.7	-171.1	0	115.1	C193 K194 K214 A215 E217 G218 M222	C193-K196 WeakPolarHBondContact O-CA 3.33Å; C193-K196 PolarHBondContact O-N 2.7Å; K194-K196 PolarHBondContact O-N 3.28Å; K196-K214 WeakPolarHBondContact O-CA 3.28Å; K196-K214 PolarHBondContact O-N 3.31Å; K196-A215 PolarHBondContact O-N 3.37Å; K196-E217 PolarHBondContact NZ-O 3.42Å; K196-G218 WeakPolarHBondContact CD-O 3.46Å; K196-G218 WeakPolarHBondContact CE-O 3.45Å; K196-G218 PolarHBondContact NZ-O 2.89Å; K196-G218 VanDerWaalsContact NZ-O 3.08Å; K196-M222 HydrophobicContact CB-CE 4.02Å
197	S	96.1	Very high	97.3	Very high	5 Å²	5	32.2 Å²	32.2	4%	0.035	15%	0.153	C	C	.	.			trans	-85.1	147.7	172.5	-71.5	0	0	0	0	112.2	C193 D195 R199 E211 K212 E213	C193-S197 PolarHBondContact N-O 3.2Å; C193-S197 VanDerWaalsContact N-O 3.13Å; D195-S197 VanDerWaalsContact C-N 3.33Å; D195-S197 WeakPolarHBondContact OD1-CB 3.41Å; D195-S197 PolarHBondContact OD1-N 3.28Å; S197-R199 PolarHBondContact OG-NH2 3.25Å; S197-E211 WeakPolarHBondContact CB-OE1 3.39Å; S197-E211 PolarHBondContact OG-OE1 3.44Å; S197-K212 CarbonylContact C-O 3.57Å; S197-K212 VanDerWaalsContact CA-O 3.23Å; S197-K212 WeakPolarHBondContact CA-O 3.41Å; S197-E213 WeakPolarHBondContact OG-CA 3.4Å
198	I	97.3	Very high	97.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.5	159.5	-55.8	162	0	0	0	107.4	T191 E211 K212 A215 M222 A224 T234	T191-I198 VanDerWaalsContact O-CA 3.31Å; T191-I198 WeakPolarHBondContact O-CA 3.23Å; I198-E211 WeakPolarHBondContact O-CA 3.48Å; I198-K212 PolarHBondContact N-O 2.91Å; I198-K212 PolarHBondContact O-N 3.18Å; I198-A215 HydrophobicContact CD1-CB 3.2Å; I198-A215 HydrophobicContact CG1-CB 3.7Å; I198-M222 HydrophobicContact CG1-SD 4.23Å; I198-A224 HydrophobicContact CG1-CB 4.37Å; I198-A224 HydrophobicContact CG2-CB 3.96Å; I198-T234 HydrophobicContact CD1-CG2 3.27Å; I198-T234 HydrophobicContact CG1-CG2 4.2Å
199	R	97.9	Very high	97.2	Very high	18 Å²	18	37.1 Å²	37.1	7%	0.068	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.6	175.6	-61.9	178.1	179.1	95.7	15.3	111.4	C190 T191 D195 S197 I201 I208 E211	C190-R199 WeakPolarHBondContact CA-O 3.35Å; T191-R199 PolarHBondContact N-O 3.36Å; T191-R199 PolarHBondContact O-N 3.02Å; T191-R199 PolarHBondContact OG1-O 3.37Å; D195-R199 IonicContact OD1-NH1 2.79Å; D195-R199 IonicContact OD2-CZ 3.98Å; D195-R199 VanDerWaalsContact OD2-CZ 3.27Å; D195-R199 IonicContact OD2-NH1 3.62Å; D195-R199 PolarHBondContact OD2-NH1 3.26Å; D195-R199 IonicContact OD2-NH2 2.78Å; D195-R199 PolarHBondContact OD2-NH2 3.38Å; S197-R199 PolarHBondContact OG-NH2 3.25Å; R199-I201 HydrophobicContact CB-CD1 4.16Å; R199-I201 HydrophobicContact CB-CG1 4.16Å; R199-I208 HydrophobicContact CB-CG2 4.39Å; R199-I208 HydrophobicContact CG-CG2 4.49Å; R199-E211 HydrophobicContact CG-CB 4.25Å; R199-E211 HydrophobicContact CG-CG 3.96Å; R199-E211 IonicContact CZ-OE1 3.57Å; R199-E211 VanDerWaalsContact CZ-OE1 3.25Å; R199-E211 IonicContact CZ-OE2 3.44Å; R199-E211 IonicContact NE-OE1 2.76Å; R199-E211 PolarHBondContact NE-OE1 2.91Å; R199-E211 VanDerWaalsContact NE-OE1 3.15Å; R199-E211 IonicContact NE-OE2 3.56Å; R199-E211 PolarHBondContact NE-OE2 3.12Å; R199-E211 IonicContact NH2-OE1 2.75Å; R199-E211 PolarHBondContact NH2-OE1 2.74Å; R199-E211 IonicContact NH2-OE2 2.75Å
200	V	98.2	Very high	97	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.3	165.7	179.3	0	0	0	0	107.7	L188 I189 I208 V209 A210 F226 I232 T250	L188-V200 HydrophobicContact CB-CG1 4.39Å; L188-V200 HydrophobicContact CD1-CG1 3.93Å; I189-V200 WeakPolarHBondContact O-CA 3.31Å; V200-I208 CarbonylContact O-C 3.56Å; V200-V209 HydrophobicContact CG1-CB 4.25Å; V200-V209 PolarHBondContact O-N 3.2Å; V200-A210 HydrophobicContact CB-CB 4.15Å; V200-A210 HydrophobicContact CG2-CB 4.3Å; V200-A210 PolarHBondContact N-O 3.3Å; V200-A210 PolarHBondContact O-N 2.82Å; V200-F226 HydrophobicContact CG1-CZ 4.13Å; V200-I232 HydrophobicContact CG2-CD1 3.39Å; V200-T250 HydrophobicContact CG2-CG2 4.27Å
201	I	98.4	Very high	96.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.1	-172.6	-63.2	163.6	0	0	0	109	L169 M172 L188 I189 T191 R199 P203 T207 I208	L169-I201 HydrophobicContact CD1-CG2 4.13Å; M172-I201 HydrophobicContact CE-CB 4.44Å; M172-I201 HydrophobicContact CE-CD1 3.87Å; M172-I201 HydrophobicContact CE-CG1 3.84Å; M172-I201 HydrophobicContact CE-CG2 3.75Å; M172-I201 HydrophobicContact SD-CD1 4.12Å; M172-I201 HydrophobicContact SD-CG2 4.01Å; L188-I201 WeakPolarHBondContact CA-O 3.48Å; I189-I201 HydrophobicContact CD1-CB 4.32Å; I189-I201 HydrophobicContact CD1-CG2 4.44Å; I189-I201 HydrophobicContact CG1-CB 3.79Å; I189-I201 HydrophobicContact CG1-CG2 4.29Å; I189-I201 PolarHBondContact N-O 3.03Å; I189-I201 PolarHBondContact O-N 2.94Å; T191-I201 HydrophobicContact CG2-CD1 4.21Å; R199-I201 HydrophobicContact CB-CD1 4.16Å; R199-I201 HydrophobicContact CB-CG1 4.16Å; I201-P203 VanDerWaalsContact O-CD 3.31Å; I201-P203 WeakPolarHBondContact O-CD 3.23Å; I201-T207 WeakPolarHBondContact CA-O 3.27Å; I201-I208 HydrophobicContact CG1-CG1 4.24Å
202	D	97.9	Very high	96.8	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	102.7	161.6	-176	-24.4	0	0	0	107.4	L188 R204 K205 E206 T207 V209	L188-D202 HydrophobicContact CD2-CB 3.78Å; D202-R204 VanDerWaalsContact C-N 3.26Å; D202-R204 PolarHBondContact O-N 3.22Å; D202-R204 PolarHBondContact OD1-N 2.97Å; D202-K205 HydrophobicContact CB-CB 4.32Å; D202-K205 PolarHBondContact O-N 2.82Å; D202-K205 IonicContact OD2-NZ 3.98Å; D202-K205 PolarHBondContact OD2-NZ 2.83Å; D202-E206 PolarHBondContact O-N 3.24Å; D202-T207 PolarHBondContact N-O 3.26Å; D202-T207 PolarHBondContact O-N 3.25Å; D202-V209 HydrophobicContact CB-CG2 3.94Å
203	P	97.6	Very high	96.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.6	-170	25.5	-34	0	0	0	112.8	I157 I167 L169 W182 I201 K205 E206 W377	I157-P203 HydrophobicContact CD1-CB 3.41Å; I157-P203 VanDerWaalsContact CD1-CB 3.41Å; I157-P203 HydrophobicContact CD1-CG 4.04Å; I167-P203 WeakPolarHBondContact CG2-O 3.49Å; L169-P203 HydrophobicContact CD1-CB 4.14Å; W182-P203 HydrophobicContact CH2-CG 4.03Å; W182-P203 HydrophobicContact CZ3-CG 3.96Å; I201-P203 VanDerWaalsContact O-CD 3.31Å; I201-P203 WeakPolarHBondContact O-CD 3.23Å; P203-K205 VanDerWaalsContact C-N 3.32Å; P203-E206 PolarHBondContact O-N 3.2Å; P203-W377 HydrophobicContact CG-CH2 4.06Å; P203-W377 HydrophobicContact CG-CZ2 4.1Å
204	R	96.9	Very high	96.6	Very high	47 Å²	47	56.2 Å²	56.2	18%	0.177	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-17.1	-177.8	-66.1	168.3	-63.2	-170.6	-5	113.2	I167 D202 W377 K381 N382	I167-R204 HydrophobicContact CD1-CB 4.47Å; I167-R204 HydrophobicContact CD1-CG 3.83Å; D202-R204 VanDerWaalsContact C-N 3.26Å; D202-R204 PolarHBondContact O-N 3.22Å; D202-R204 PolarHBondContact OD1-N 2.97Å; R204-W377 WeakPolarHBondContact CD-O 3.47Å; R204-W377 HydrophobicContact CG-CH2 3.81Å; R204-W377 HydrophobicContact CG-CZ2 4.05Å; R204-W377 HydrophobicContact CG-CZ3 4.08Å; R204-W377 PolarHBondContact NH1-O 2.91Å; R204-K381 PolarHBondContact NH1-O 2.89Å; R204-N382 PolarHBondContact NH1-OD1 3.18Å; R204-N382 PolarHBondContact NH2-OD1 3.44Å
205	K	96.3	Very high	96.5	Very high	142 Å²	142	52.2 Å²	52.2	62%	0.617	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-9.4	172.2	-60.6	-166.8	-170.2	99	0	112.7	D202 P203 T207	D202-K205 HydrophobicContact CB-CB 4.32Å; D202-K205 PolarHBondContact O-N 2.82Å; D202-K205 IonicContact OD2-NZ 3.98Å; D202-K205 PolarHBondContact OD2-NZ 2.83Å; P203-K205 VanDerWaalsContact C-N 3.32Å; K205-T207 HydrophobicContact CB-CG2 4.15Å; K205-T207 WeakPolarHBondContact CB-OG1 3.02Å; K205-T207 PolarHBondContact O-N 3.43Å
206	E	96.1	Very high	96.5	Very high	122 Å²	122	50.2 Å²	50.2	57%	0.57	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	27.9	-175.9	-51	176.6	177.2	0	0	112.1	L169 D202 P203	L169-E206 HydrophobicContact CD2-CB 4.11Å; L169-E206 HydrophobicContact CD2-CG 3.8Å; D202-E206 PolarHBondContact O-N 3.24Å; P203-E206 PolarHBondContact O-N 3.2Å
207	T	96.7	Very high	96.3	Very high	63 Å²	63	53 Å²	53	39%	0.387	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.2	-175	53.2	0	0	0	0	112.8	I201 D202 K205 V209	I201-T207 WeakPolarHBondContact CA-O 3.27Å; D202-T207 PolarHBondContact N-O 3.26Å; D202-T207 PolarHBondContact O-N 3.25Å; K205-T207 HydrophobicContact CB-CG2 4.15Å; K205-T207 WeakPolarHBondContact CB-OG1 3.02Å; K205-T207 PolarHBondContact O-N 3.43Å; T207-V209 PolarHBondContact O-N 3.06Å
208	I	96.9	Very high	96.1	Very high	73 Å²	73	53 Å²	53	37%	0.374	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	120.4	162.9	-55.3	170	0	0	0	108.1	M172 R199 V200 I201 E211	M172-I208 HydrophobicContact CE-CD1 4.33Å; M172-I208 HydrophobicContact CE-CG1 3.47Å; M172-I208 VanDerWaalsContact CE-CG1 3.47Å; R199-I208 HydrophobicContact CB-CG2 4.39Å; R199-I208 HydrophobicContact CG-CG2 4.49Å; V200-I208 CarbonylContact O-C 3.56Å; I201-I208 HydrophobicContact CG1-CG1 4.24Å; I208-E211 HydrophobicContact CG2-CB 4.03Å
209	V	96.4	Very high	95.7	Very high	88 Å²	88	57 Å²	57	53%	0.533	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-35.2	-179.3	-166.4	0	0	0	0	111.1	L188 V200 D202 T207	L188-V209 HydrophobicContact CD2-CG2 3.98Å; V200-V209 HydrophobicContact CG1-CB 4.25Å; V200-V209 PolarHBondContact O-N 3.2Å; D202-V209 HydrophobicContact CB-CG2 3.94Å; T207-V209 PolarHBondContact O-N 3.06Å
210	A	96	Very high	95.5	Very high	22 Å²	22	60.3 Å²	60.3	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	144.8	172.7	0	0	0	0	0	110.1	V200 M253	V200-A210 HydrophobicContact CB-CB 4.15Å; V200-A210 HydrophobicContact CG2-CB 4.3Å; V200-A210 PolarHBondContact N-O 3.3Å; V200-A210 PolarHBondContact O-N 2.82Å; A210-M253 HydrophobicContact CB-CG 4.19Å
211	E	95.9	Very high	95.3	Very high	71 Å²	71	61.3 Å²	61.3	33%	0.332	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.5	175.5	174.7	160.9	-179.7	0	0	110.7	S197 I198 R199 I208	S197-E211 WeakPolarHBondContact CB-OE1 3.39Å; S197-E211 PolarHBondContact OG-OE1 3.44Å; I198-E211 WeakPolarHBondContact O-CA 3.48Å; R199-E211 HydrophobicContact CG-CB 4.25Å; R199-E211 HydrophobicContact CG-CG 3.96Å; R199-E211 IonicContact CZ-OE1 3.57Å; R199-E211 VanDerWaalsContact CZ-OE1 3.25Å; R199-E211 IonicContact CZ-OE2 3.44Å; R199-E211 IonicContact NE-OE1 2.76Å; R199-E211 PolarHBondContact NE-OE1 2.91Å; R199-E211 VanDerWaalsContact NE-OE1 3.15Å; R199-E211 IonicContact NE-OE2 3.56Å; R199-E211 PolarHBondContact NE-OE2 3.12Å; R199-E211 IonicContact NH2-OE1 2.75Å; R199-E211 PolarHBondContact NH2-OE1 2.74Å; R199-E211 IonicContact NH2-OE2 2.75Å; I208-E211 HydrophobicContact CG2-CB 4.03Å
212	K	96.6	Very high	95.2	Very high	48 Å²	48	61.5 Å²	61.5	21%	0.209	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	107.3	167	176.1	52.4	173.4	-165.1	0	110.4	S197 I198 A215 W248 M253 E254	S197-K212 CarbonylContact C-O 3.57Å; S197-K212 VanDerWaalsContact CA-O 3.23Å; S197-K212 WeakPolarHBondContact CA-O 3.41Å; I198-K212 PolarHBondContact N-O 2.91Å; I198-K212 PolarHBondContact O-N 3.18Å; K212-A215 HydrophobicContact CG-CB 3.96Å; K212-W248 HydrophobicContact CD-CZ3 4.2Å; K212-W248 HydrophobicContact CG-CE3 4.37Å; K212-W248 HydrophobicContact CG-CH2 4.14Å; K212-W248 HydrophobicContact CG-CZ3 3.9Å; K212-M253 HydrophobicContact CB-CB 4.25Å; K212-M253 HydrophobicContact CB-CE 3.69Å; K212-M253 VanDerWaalsContact CD-O 3.3Å; K212-M253 WeakPolarHBondContact CD-O 3.19Å; K212-E254 PolarHBondContact NZ-O 2.84Å
213	E	95.8	Very high	95.1	Very high	123 Å²	123	61.8 Å²	61.8	58%	0.575	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	142.8	165.1	-67	-170.5	-168.8	0	0	111.8	S197 A215	S197-E213 WeakPolarHBondContact OG-CA 3.4Å; E213-A215 VanDerWaalsContact C-N 3.3Å; E213-A215 PolarHBondContact O-N 3.41Å
214	K	94	Very high	95.2	Very high	138 Å²	138	61.8 Å²	61.8	60%	0.6	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	44.5	172.3	-58.1	166.3	-171.8	144.4	0	112.9	K196 H216	K196-K214 WeakPolarHBondContact O-CA 3.28Å; K196-K214 PolarHBondContact O-N 3.31Å; K214-H216 PolarHBondContact O-N 3.19Å; K214-H216 VanDerWaalsContact O-N 3.14Å
215	A	94	Very high	95.2	Very high	10 Å²	10	60.4 Å²	60.4	8%	0.083	31%	0.308	C	S	.	.	S	Bend	trans	-56.2	-30.5	176.8	0	0	0	0	0	112.8	K196 I198 K212 E213 M222 W248	K196-A215 PolarHBondContact O-N 3.37Å; I198-A215 HydrophobicContact CD1-CB 3.2Å; I198-A215 HydrophobicContact CG1-CB 3.7Å; K212-A215 HydrophobicContact CG-CB 3.96Å; E213-A215 VanDerWaalsContact C-N 3.3Å; E213-A215 PolarHBondContact O-N 3.41Å; A215-M222 HydrophobicContact CB-SD 4.47Å; A215-W248 HydrophobicContact CB-CH2 4.25Å; A215-W248 HydrophobicContact CB-CZ2 3.8Å; A215-W248 WeakPolarHBondContact O-CZ2 3.34Å
216	H	95.8	Very high	95.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.019	28%	0.282	C	S	.	.	S	Bend	trans	-129.6	138	166	-67.1	-78.8	0	0	0	109.5	K214 G218 M222 T234 Q244	K214-H216 PolarHBondContact O-N 3.19Å; K214-H216 VanDerWaalsContact O-N 3.14Å; H216-G218 VanDerWaalsContact C-N 3.33Å; H216-G218 PolarHBondContact O-N 3.17Å; H216-M222 HydrophobicContact CB-CE 4.18Å; H216-T234 PolarHBondContact NE2-OG1 2.94Å; H216-Q244 PolarHBondContact ND1-OE1 2.98Å; H216-Q244 VanDerWaalsContact ND1-OE1 3.1Å
217	E	92.4	Very high	95.3	Very high	121 Å²	121	48.8 Å²	48.8	57%	0.565	26%	0.256	S	S	*	.			trans	-73.6	-23	-177.8	-67.9	-156.5	158.5	0	0	113.8	K196 R239	K196-E217 PolarHBondContact NZ-O 3.42Å; E217-R239 HydrophobicContact CB-CB 3.92Å; E217-R239 WeakPolarHBondContact OE2-CB 3.45Å; E217-R239 WeakPolarHBondContact OE2-CD 3.13Å
218	G	92	Very high	95.1	Very high	5 Å²	5	47.3 Å²	47.3	5%	0.052	25%	0.249	C	C	.	.	S	Bend	trans	-60.9	164.8	-178.3	0	0	0	0	0	113.9	K196 H216 F237 S238	K196-G218 WeakPolarHBondContact CD-O 3.46Å; K196-G218 WeakPolarHBondContact CE-O 3.45Å; K196-G218 PolarHBondContact NZ-O 2.89Å; K196-G218 VanDerWaalsContact NZ-O 3.08Å; H216-G218 VanDerWaalsContact C-N 3.33Å; H216-G218 PolarHBondContact O-N 3.17Å; G218-F237 VanDerWaalsContact CA-O 3.25Å; G218-F237 WeakPolarHBondContact CA-O 3.34Å; G218-F237 PolarHBondContact N-O 2.98Å; G218-S238 WeakPolarHBondContact CA-O 3.16Å
219	A	88.4	Confident	94.9	Very high	86 Å²	86	47.9 Å²	47.9	71%	0.711	25%	0.253	S	S	*	.	S	Bend	trans	-100.7	3.6	180	0	0	0	0	0	113.8
220	R	93	Very high	94.8	Very high	87 Å²	87	44.9 Å²	44.9	33%	0.328	24%	0.24	S	C	.	.	S	Bend	trans	-93.3	160	-177.7	-73.1	173.5	-176.5	-92.8	-2.8	111.1	F237 N266	R220-F237 HydrophobicContact CB-CB 4.31Å; R220-F237 HydrophobicContact CB-CD1 4.29Å; R220-F237 HydrophobicContact CB-CD2 3.32Å; R220-F237 HydrophobicContact CB-CE1 4.43Å; R220-F237 HydrophobicContact CB-CE2 3.53Å; R220-F237 HydrophobicContact CB-CG 3.73Å; R220-F237 HydrophobicContact CB-CZ 4.09Å; R220-F237 VanDerWaalsContact CD-CD1 3.46Å; R220-F237 HydrophobicContact CG-CD1 4.49Å; R220-F237 HydrophobicContact CG-CD2 4.32Å; R220-F237 HydrophobicContact CG-CE2 4.41Å; R220-F237 HydrophobicContact CG-CG 4.35Å; R220-N266 PolarHBondContact NH1-O 3.4Å; R220-N266 PolarHBondContact NH1-OD1 2.79Å; R220-N266 PolarHBondContact NH2-OD1 3.48Å
221	P	94.6	Very high	94.8	Very high	25 Å²	25	44.5 Å²	44.5	16%	0.162	23%	0.234	C	C	.	.			trans	-57.4	145.8	179.7	-23.1	33.1	0	0	0	113.3	Y178 F237 V268	Y178-P221 HydrophobicContact CD1-CB 3.78Å; Y178-P221 HydrophobicContact CD1-CG 4.21Å; Y178-P221 HydrophobicContact CD2-CB 4.15Å; Y178-P221 HydrophobicContact CE1-CB 3.75Å; Y178-P221 HydrophobicContact CE1-CG 3.75Å; Y178-P221 HydrophobicContact CE2-CB 4.1Å; Y178-P221 HydrophobicContact CG-CB 3.98Å; P221-F237 WeakPolarHBondContact O-CE2 3.49Å; P221-V268 HydrophobicContact CB-CG1 4.41Å; P221-V268 HydrophobicContact CB-CG2 3.84Å; P221-V268 HydrophobicContact CG-CG2 3.98Å
222	M	94.9	Very high	94.9	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	22%	0.219	C	C	.	.			trans	-121.8	156	175.8	75.6	-179.4	72.4	0	0	110.8	Y178 S192 K196 I198 A215 H216 T235	Y178-M222 WeakPolarHBondContact CB-O 3.39Å; S192-M222 PolarHBondContact OG-O 3.06Å; K196-M222 HydrophobicContact CB-CE 4.02Å; I198-M222 HydrophobicContact CG1-SD 4.23Å; A215-M222 HydrophobicContact CB-SD 4.47Å; H216-M222 HydrophobicContact CB-CE 4.18Å; M222-T235 CarbonylContact C-O 3.52Å; M222-T235 WeakPolarHBondContact CA-O 3.38Å; M222-T235 WeakPolarHBondContact CB-O 3.49Å
223	R	97.7	Very high	94.9	Very high	19 Å²	19	38.9 Å²	38.9	7%	0.072	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	149.2	170.1	-57.7	-71.3	177.2	-123.4	22.7	109.1	D35 Y178 T234 T235 V268 L269 L270 P271	D35-R223 PolarHBondContact O-NH2 3.4Å; Y178-R223 PolarHBondContact O-NH1 2.85Å; R223-T234 CarbonylContact O-C 3.49Å; R223-T234 WeakPolarHBondContact O-CA 3.35Å; R223-T234 VanDerWaalsContact O-CB 3.28Å; R223-T234 WeakPolarHBondContact O-CB 3.49Å; R223-T235 WeakPolarHBondContact CB-OG1 3.2Å; R223-T235 PolarHBondContact N-O 3.36Å; R223-T235 PolarHBondContact O-N 2.93Å; R223-V268 HydrophobicContact CG-CG1 4.3Å; R223-L269 WeakPolarHBondContact CG-O 3.42Å; R223-L270 HydrophobicContact CG-CD2 4.31Å; R223-P271 HydrophobicContact CB-CG 4.01Å
224	A	97.9	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	120	175	0	0	0	0	0	108.7	N179 S181 C190 I198 I232 T234	N179-A224 PolarHBondContact OD1-O 3.1Å; S181-A224 WeakPolarHBondContact CB-O 3.49Å; C190-A224 VanDerWaalsContact SG-CB 3.55Å; I198-A224 HydrophobicContact CG1-CB 4.37Å; I198-A224 HydrophobicContact CG2-CB 3.96Å; A224-I232 HydrophobicContact CB-CG2 4.21Å; A224-T234 HydrophobicContact CB-CG2 3.58Å
225	I	98.2	Very high	95.2	Very high	18 Å²	18	26.5 Å²	26.5	9%	0.092	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.7	-178.9	61.3	162.9	0	0	0	110.8	I232 L233 P271	I225-I232 WeakPolarHBondContact O-CA 3.37Å; I225-L233 HydrophobicContact CG1-CB 4.2Å; I225-L233 PolarHBondContact N-O 3.07Å; I225-L233 PolarHBondContact O-N 2.78Å; I225-P271 HydrophobicContact CD1-CB 3.72Å; I225-P271 HydrophobicContact CD1-CG 3.86Å; I225-P271 HydrophobicContact CG1-CB 4.24Å; I225-P271 HydrophobicContact CG1-CG 3.95Å; I225-P271 HydrophobicContact CG2-CG 3.93Å
226	F	98.1	Very high	95.4	Very high	14 Å²	14	26.2 Å²	26.2	6%	0.061	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	148.8	170.4	-76.9	-73.3	0	0	0	112.3	S181 N183 L188 C190 V200 D231 I232 T250	S181-F226 WeakPolarHBondContact O-CD2 3.4Å; S181-F226 PolarHBondContact OG-N 2.86Å; N183-F226 VanDerWaalsContact CA-CD2 3.4Å; N183-F226 HydrophobicContact CB-CB 4.29Å; N183-F226 HydrophobicContact CB-CD1 4.09Å; N183-F226 HydrophobicContact CB-CD2 3.52Å; N183-F226 HydrophobicContact CB-CE1 4.21Å; N183-F226 HydrophobicContact CB-CE2 3.6Å; N183-F226 HydrophobicContact CB-CG 3.73Å; N183-F226 HydrophobicContact CB-CZ 3.96Å; N183-F226 VanDerWaalsContact N-CD2 3.27Å; L188-F226 HydrophobicContact CB-CE2 4.34Å; L188-F226 HydrophobicContact CB-CZ 3.98Å; C190-F226 HydrophobicContact CB-CD2 3.7Å; C190-F226 HydrophobicContact CB-CE1 4.44Å; C190-F226 HydrophobicContact CB-CE2 3.41Å; C190-F226 VanDerWaalsContact CB-CE2 3.41Å; C190-F226 HydrophobicContact CB-CG 4.39Å; C190-F226 HydrophobicContact CB-CZ 3.82Å; V200-F226 HydrophobicContact CG1-CZ 4.13Å; F226-D231 WeakPolarHBondContact CA-O 3.18Å; F226-I232 HydrophobicContact CD1-CG1 3.96Å; F226-I232 HydrophobicContact CE1-CD1 4.29Å; F226-I232 HydrophobicContact CE1-CG1 4.05Å; F226-T250 HydrophobicContact CE1-CG2 4.32Å
227	L	96.9	Very high	95.5	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.031	15%	0.151	C	C	.	.			trans	-98.6	168.6	167.1	-58.2	-174.3	0	0	0	111.2	N229 G230 D231 L233 L247 Y273 I295	L227-N229 WeakPolarHBondContact CB-OD1 3.21Å; L227-N229 PolarHBondContact O-N 2.85Å; L227-G230 PolarHBondContact O-N 3.17Å; L227-D231 HydrophobicContact CD1-CB 4.28Å; L227-D231 PolarHBondContact N-O 2.85Å; L227-L233 HydrophobicContact CD1-CB 4.34Å; L227-L233 HydrophobicContact CD2-CB 3.86Å; L227-L233 HydrophobicContact CD2-CD2 4.39Å; L227-L233 HydrophobicContact CG-CB 4.17Å; L227-L247 HydrophobicContact CD1-CD1 3.43Å; L227-L247 VanDerWaalsContact CD1-CD1 3.43Å; L227-Y273 HydrophobicContact CB-CE1 4.27Å; L227-Y273 HydrophobicContact CD2-CD1 3.96Å; L227-Y273 HydrophobicContact CD2-CD2 3.65Å; L227-Y273 HydrophobicContact CD2-CE1 4Å; L227-Y273 HydrophobicContact CD2-CE2 3.69Å; L227-Y273 HydrophobicContact CD2-CG 3.78Å; L227-I295 HydrophobicContact CD1-CD1 3.71Å; L227-I295 HydrophobicContact CD1-CG2 4.05Å; L227-I295 HydrophobicContact CD2-CD1 3.69Å; L227-I295 HydrophobicContact CG-CD1 4.39Å
228	S	92.1	Very high	95.6	Very high	33 Å²	33	20.7 Å²	20.7	23%	0.231	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.8	-175	67.9	0	0	0	0	114.1	Y273 N278	S228-Y273 WeakPolarHBondContact CB-OH 3.22Å; S228-Y273 PolarHBondContact N-OH 2.68Å; S228-Y273 PolarHBondContact OG-OH 3.26Å; S228-N278 PolarHBondContact OG-OD1 2.86Å
229	N	91.8	Very high	95.7	Very high	85 Å²	85	29.9 Å²	29.9	46%	0.455	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-6.3	176.7	69.5	-13.3	0	0	0	113.7	L227 D231	L227-N229 WeakPolarHBondContact CB-OD1 3.21Å; L227-N229 PolarHBondContact O-N 2.85Å; N229-D231 PolarHBondContact ND2-OD2 3.01Å; N229-D231 WeakPolarHBondContact OD1-CB 3.33Å; N229-D231 PolarHBondContact OD1-N 3.04Å
230	G	93.9	Very high	96	Very high	25 Å²	25	32.6 Å²	32.6	26%	0.258	16%	0.159	S	C	.	.	S	Bend	trans	91.7	0.9	-176.9	0	0	0	0	0	115.7	L227 T250	L227-G230 PolarHBondContact O-N 3.17Å; G230-T250 WeakPolarHBondContact O-CG2 3.38Å; G230-T250 PolarHBondContact O-OG1 3.25Å
231	D	96.1	Very high	96	Very high	14 Å²	14	30.7 Å²	30.7	8%	0.075	16%	0.159	C	C	.	.			trans	-71.8	167.7	167	-70.3	-29.5	0	0	0	111.2	F226 L227 N229 L247 W248 N249	F226-D231 WeakPolarHBondContact CA-O 3.18Å; L227-D231 HydrophobicContact CD1-CB 4.28Å; L227-D231 PolarHBondContact N-O 2.85Å; N229-D231 PolarHBondContact ND2-OD2 3.01Å; N229-D231 WeakPolarHBondContact OD1-CB 3.33Å; N229-D231 PolarHBondContact OD1-N 3.04Å; D231-L247 HydrophobicContact CB-CD1 4.31Å; D231-W248 WeakPolarHBondContact CB-O 3.33Å; D231-N249 WeakPolarHBondContact OD1-CA 3.16Å; D231-N249 PolarHBondContact OD1-ND2 3.38Å
232	I	97.9	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132	-179.5	-68.2	164	0	0	0	110.5	V200 A224 I225 F226 T234 W248 T250 M253	V200-I232 HydrophobicContact CG2-CD1 3.39Å; A224-I232 HydrophobicContact CB-CG2 4.21Å; I225-I232 WeakPolarHBondContact O-CA 3.37Å; F226-I232 HydrophobicContact CD1-CG1 3.96Å; F226-I232 HydrophobicContact CE1-CD1 4.29Å; F226-I232 HydrophobicContact CE1-CG1 4.05Å; I232-T234 HydrophobicContact CG2-CG2 3.76Å; I232-W248 HydrophobicContact CB-CB 4.33Å; I232-W248 PolarHBondContact N-O 2.69Å; I232-W248 PolarHBondContact O-N 2.84Å; I232-T250 HydrophobicContact CD1-CG2 3.46Å; I232-T250 VanDerWaalsContact CD1-CG2 3.46Å; I232-T250 HydrophobicContact CG1-CG2 3.7Å; I232-M253 HydrophobicContact CD1-CE 4.41Å; I232-M253 HydrophobicContact CD1-SD 4.4Å
233	L	98.1	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.4	171.6	-172	80.9	0	0	0	109.6	I225 L227 L245 A246 L247 V280 I295 V302	I225-L233 HydrophobicContact CG1-CB 4.2Å; I225-L233 PolarHBondContact N-O 3.07Å; I225-L233 PolarHBondContact O-N 2.78Å; L227-L233 HydrophobicContact CD1-CB 4.34Å; L227-L233 HydrophobicContact CD2-CB 3.86Å; L227-L233 HydrophobicContact CD2-CD2 4.39Å; L227-L233 HydrophobicContact CG-CB 4.17Å; L233-L245 HydrophobicContact CD1-CD1 3.81Å; L233-L245 HydrophobicContact CD1-CG 4.19Å; L233-L245 HydrophobicContact CD2-CD1 3.96Å; L233-L245 HydrophobicContact CG-CD1 3.8Å; L233-A246 WeakPolarHBondContact CA-O 3.4Å; L233-L247 HydrophobicContact CD1-CB 4.43Å; L233-L247 HydrophobicContact CD1-CD1 4.23Å; L233-V280 HydrophobicContact CD2-CB 4.02Å; L233-V280 HydrophobicContact CD2-CG1 3.92Å; L233-V280 HydrophobicContact CD2-CG2 3.64Å; L233-I295 HydrophobicContact CD1-CD1 4.17Å; L233-I295 HydrophobicContact CD2-CD1 4.06Å; L233-V302 HydrophobicContact CD1-CG2 4.49Å
234	T	98.3	Very high	96.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143	179.2	63.6	0	0	0	0	113.4	I198 H216 R223 A224 I232 L245 A246 W248	I198-T234 HydrophobicContact CD1-CG2 3.27Å; I198-T234 HydrophobicContact CG1-CG2 4.2Å; H216-T234 PolarHBondContact NE2-OG1 2.94Å; R223-T234 CarbonylContact O-C 3.49Å; R223-T234 WeakPolarHBondContact O-CA 3.35Å; R223-T234 VanDerWaalsContact O-CB 3.28Å; R223-T234 WeakPolarHBondContact O-CB 3.49Å; A224-T234 HydrophobicContact CB-CG2 3.58Å; I232-T234 HydrophobicContact CG2-CG2 3.76Å; T234-L245 CarbonylContact O-C 3.53Å; T234-L245 WeakPolarHBondContact O-CA 3.34Å; T234-A246 PolarHBondContact N-O 3.37Å; T234-A246 PolarHBondContact O-N 2.82Å; T234-W248 PolarHBondContact OG1-NE1 3.47Å
235	T	98.2	Very high	96.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.6	165.8	61.8	0	0	0	0	108.6	M222 R223 Q244 L245 L269 P271 L282	M222-T235 CarbonylContact C-O 3.52Å; M222-T235 WeakPolarHBondContact CA-O 3.38Å; M222-T235 WeakPolarHBondContact CB-O 3.49Å; R223-T235 WeakPolarHBondContact CB-OG1 3.2Å; R223-T235 PolarHBondContact N-O 3.36Å; R223-T235 PolarHBondContact O-N 2.93Å; T235-Q244 WeakPolarHBondContact CA-O 3.33Å; T235-L245 HydrophobicContact CG2-CD1 4Å; T235-L269 HydrophobicContact CG2-CB 3.97Å; T235-L269 PolarHBondContact OG1-O 2.99Å; T235-P271 HydrophobicContact CG2-CB 4.15Å; T235-P271 HydrophobicContact CG2-CG 4.24Å; T235-L282 HydrophobicContact CG2-CD2 3.86Å
236	G	97.1	Very high	96.2	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	-155.3	-178.2	0	0	0	0	0	111.7	R243 Q244	G236-R243 WeakPolarHBondContact O-CA 3.49Å; G236-Q244 PolarHBondContact N-O 3.33Å; G236-Q244 PolarHBondContact O-N 3.28Å
237	F	97.2	Very high	96.2	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138.6	-174	-67.6	-98.9	0	0	0	111.7	G218 R220 P221 E242 R243 S265 V268	G218-F237 VanDerWaalsContact CA-O 3.25Å; G218-F237 WeakPolarHBondContact CA-O 3.34Å; G218-F237 PolarHBondContact N-O 2.98Å; R220-F237 HydrophobicContact CB-CB 4.31Å; R220-F237 HydrophobicContact CB-CD1 4.29Å; R220-F237 HydrophobicContact CB-CD2 3.32Å; R220-F237 HydrophobicContact CB-CE1 4.43Å; R220-F237 HydrophobicContact CB-CE2 3.53Å; R220-F237 HydrophobicContact CB-CG 3.73Å; R220-F237 HydrophobicContact CB-CZ 4.09Å; R220-F237 VanDerWaalsContact CD-CD1 3.46Å; R220-F237 HydrophobicContact CG-CD1 4.49Å; R220-F237 HydrophobicContact CG-CD2 4.32Å; R220-F237 HydrophobicContact CG-CE2 4.41Å; R220-F237 HydrophobicContact CG-CG 4.35Å; P221-F237 WeakPolarHBondContact O-CE2 3.49Å; F237-E242 CarbonylContact C-O 3.5Å; F237-E242 WeakPolarHBondContact CA-O 3.42Å; F237-R243 HydrophobicContact CD1-CG 4.04Å; F237-R243 HydrophobicContact CE1-CG 3.59Å; F237-R243 HydrophobicContact CZ-CG 4.16Å; F237-S265 WeakPolarHBondContact CE1-O 3.3Å; F237-V268 HydrophobicContact CE2-CG2 4.4Å
238	S	96.2	Very high	96.2	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.042	16%	0.156	C	C	.	.			trans	-64.7	167.5	168.3	85.8	0	0	0	0	110.5	G218 M240 S241 E242	G218-S238 WeakPolarHBondContact CA-O 3.16Å; S238-M240 PolarHBondContact O-N 3.42Å; S238-M240 PolarHBondContact OG-N 2.79Å; S238-S241 WeakPolarHBondContact O-CA 3.34Å; S238-S241 PolarHBondContact O-N 3.13Å; S238-S241 PolarHBondContact OG-N 3.06Å; S238-E242 WeakPolarHBondContact CB-OE2 3.39Å; S238-E242 PolarHBondContact N-O 2.79Å; S238-E242 PolarHBondContact OG-N 2.95Å; S238-E242 PolarHBondContact OG-OE2 3.46Å
239	R	93.9	Very high	96.3	Very high	198 Å²	198	31.1 Å²	31.1	75%	0.747	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.3	170.3	-177.3	172.7	175.1	177.8	-1.5	113	E217 S241	E217-R239 HydrophobicContact CB-CB 3.92Å; E217-R239 WeakPolarHBondContact OE2-CB 3.45Å; E217-R239 WeakPolarHBondContact OE2-CD 3.13Å; R239-S241 VanDerWaalsContact C-N 3.26Å
240	M	93.8	Very high	96.3	Very high	142 Å²	142	28.9 Å²	28.9	70%	0.7	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	8.7	175.6	-56.8	-172.8	-63.2	0	0	112.7	S238 E242	S238-M240 PolarHBondContact O-N 3.42Å; S238-M240 PolarHBondContact OG-N 2.79Å; M240-E242 VanDerWaalsContact C-N 3.34Å; M240-E242 WeakPolarHBondContact CE-OE2 3.48Å
241	S	94.3	Very high	96.2	Very high	48 Å²	48	36.5 Å²	36.5	34%	0.336	18%	0.175	S	C	.	.			trans	65	25.9	-176.8	-57.1	0	0	0	0	115.4	S238 R239	S238-S241 WeakPolarHBondContact O-CA 3.34Å; S238-S241 PolarHBondContact O-N 3.13Å; S238-S241 PolarHBondContact OG-N 3.06Å; R239-S241 VanDerWaalsContact C-N 3.26Å
242	E	96.6	Very high	96	Very high	45 Å²	45	39.9 Å²	39.9	21%	0.21	19%	0.193	C	C	.	.			trans	-77.3	137.4	166.1	-62.8	135.4	146.1	0	0	110	F237 S238 M240 Q244 D263 T264	F237-E242 CarbonylContact C-O 3.5Å; F237-E242 WeakPolarHBondContact CA-O 3.42Å; S238-E242 WeakPolarHBondContact CB-OE2 3.39Å; S238-E242 PolarHBondContact N-O 2.79Å; S238-E242 PolarHBondContact OG-N 2.95Å; S238-E242 PolarHBondContact OG-OE2 3.46Å; M240-E242 VanDerWaalsContact C-N 3.34Å; M240-E242 WeakPolarHBondContact CE-OE2 3.48Å; E242-Q244 PolarHBondContact O-N 3.12Å; E242-D263 CarbonylContact C-O 3.51Å; E242-D263 WeakPolarHBondContact CA-O 3.4Å; E242-T264 HydrophobicContact CG-CG2 3.68Å
243	R	97.3	Very high	95.7	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.3	173.7	-58.4	-162.2	-68.2	-176.5	-4.7	109.6	G236 F237 M262 D263 S265 G267 L269 D287	G236-R243 WeakPolarHBondContact O-CA 3.49Å; F237-R243 HydrophobicContact CD1-CG 4.04Å; F237-R243 HydrophobicContact CE1-CG 3.59Å; F237-R243 HydrophobicContact CZ-CG 4.16Å; R243-M262 HydrophobicContact CB-CB 4.42Å; R243-M262 HydrophobicContact CB-CE 4.16Å; R243-M262 WeakPolarHBondContact O-CB 3.35Å; R243-M262 PolarHBondContact O-N 3Å; R243-D263 IonicContact CZ-OD1 3.58Å; R243-D263 IonicContact CZ-OD2 3.6Å; R243-D263 PolarHBondContact N-O 3.24Å; R243-D263 IonicContact NE-OD1 3.82Å; R243-D263 PolarHBondContact NE-OD1 3.41Å; R243-D263 IonicContact NE-OD2 3Å; R243-D263 IonicContact NH2-OD1 3.79Å; R243-D263 PolarHBondContact NH2-OD1 2.81Å; R243-D263 VanDerWaalsContact NH2-OD1 3.14Å; R243-D263 IonicContact NH2-OD2 2.76Å; R243-D263 PolarHBondContact NH2-OD2 2.88Å; R243-S265 VanDerWaalsContact CD-O 3.32Å; R243-S265 WeakPolarHBondContact CD-O 3.16Å; R243-S265 WeakPolarHBondContact CG-O 3.28Å; R243-S265 PolarHBondContact NH2-OG 3.43Å; R243-G267 WeakPolarHBondContact CD-O 3.44Å; R243-G267 PolarHBondContact NH1-O 2.94Å; R243-L269 HydrophobicContact CB-CD1 3.99Å; R243-L269 VanDerWaalsContact NH1-CD2 3.28Å; R243-D287 IonicContact CZ-OD1 3.32Å; R243-D287 IonicContact CZ-OD2 3.69Å; R243-D287 IonicContact NH1-OD1 2.63Å; R243-D287 PolarHBondContact NH1-OD1 3.28Å; R243-D287 IonicContact NH1-OD2 2.93Å; R243-D287 PolarHBondContact NH1-OD2 2.94Å; R243-D287 IonicContact NH2-OD1 2.75Å; R243-D287 PolarHBondContact NH2-OD1 2.95Å; R243-D287 IonicContact NH2-OD2 2.78Å; R243-D287 PolarHBondContact NH2-OD2 2.96Å
244	Q	97.2	Very high	95.4	Very high	23 Å²	23	47.7 Å²	47.7	11%	0.107	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.1	-178	-70.2	-178.9	-30.1	0	0	110.4	H216 T235 G236 E242 V259 E261	H216-Q244 PolarHBondContact ND1-OE1 2.98Å; H216-Q244 VanDerWaalsContact ND1-OE1 3.1Å; T235-Q244 WeakPolarHBondContact CA-O 3.33Å; G236-Q244 PolarHBondContact N-O 3.33Å; G236-Q244 PolarHBondContact O-N 3.28Å; E242-Q244 PolarHBondContact O-N 3.12Å; Q244-V259 HydrophobicContact CB-CG1 4.34Å; Q244-V259 HydrophobicContact CG-CG1 4.35Å; Q244-E261 HydrophobicContact CG-CG 4.24Å; Q244-E261 PolarHBondContact NE2-OE1 2.91Å
245	L	97.7	Very high	95.1	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.3	169.3	176.7	72	0	0	0	107.4	L233 T234 T235 V259 N260 M262 L282 F293 V302	L233-L245 HydrophobicContact CD1-CD1 3.81Å; L233-L245 HydrophobicContact CD1-CG 4.19Å; L233-L245 HydrophobicContact CD2-CD1 3.96Å; L233-L245 HydrophobicContact CG-CD1 3.8Å; T234-L245 CarbonylContact O-C 3.53Å; T234-L245 WeakPolarHBondContact O-CA 3.34Å; T235-L245 HydrophobicContact CG2-CD1 4Å; L245-V259 WeakPolarHBondContact O-CA 3.4Å; L245-N260 HydrophobicContact CB-CB 4.35Å; L245-N260 PolarHBondContact N-O 3.29Å; L245-N260 PolarHBondContact O-N 2.81Å; L245-M262 HydrophobicContact CB-CE 3.81Å; L245-M262 HydrophobicContact CB-SD 4.5Å; L245-L282 HydrophobicContact CB-CD1 4.38Å; L245-L282 HydrophobicContact CD1-CD1 3.92Å; L245-L282 HydrophobicContact CD1-CD2 4.15Å; L245-L282 HydrophobicContact CD2-CD1 4.01Å; L245-L282 HydrophobicContact CG-CD1 4.33Å; L245-F293 HydrophobicContact CD2-CD1 4.29Å; L245-F293 HydrophobicContact CD2-CD2 4.14Å; L245-F293 HydrophobicContact CD2-CE1 4.34Å; L245-F293 HydrophobicContact CD2-CE2 4.23Å; L245-F293 HydrophobicContact CD2-CG 4.21Å; L245-F293 HydrophobicContact CD2-CZ 4.32Å; L245-V302 HydrophobicContact CD2-CG1 3.66Å
246	A	97.4	Very high	95	Very high	1 Å²	1	57 Å²	57	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.1	-179.9	0	0	0	0	0	111.4	L233 T234 W248 P256 T258 V259	L233-A246 WeakPolarHBondContact CA-O 3.4Å; T234-A246 PolarHBondContact N-O 3.37Å; T234-A246 PolarHBondContact O-N 2.82Å; A246-W248 HydrophobicContact CB-CZ2 4.16Å; A246-P256 HydrophobicContact CB-CB 4.36Å; A246-T258 WeakPolarHBondContact CA-O 3.39Å; A246-V259 HydrophobicContact CB-CG2 4.04Å
247	L	97.4	Very high	94.9	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.9	174.5	-179.9	66.3	0	0	0	109	L227 D231 L233 P256 M257 T258 I295 Y301 V302	L227-L247 HydrophobicContact CD1-CD1 3.43Å; L227-L247 VanDerWaalsContact CD1-CD1 3.43Å; D231-L247 HydrophobicContact CB-CD1 4.31Å; L233-L247 HydrophobicContact CD1-CB 4.43Å; L233-L247 HydrophobicContact CD1-CD1 4.23Å; L247-P256 CarbonylContact O-C 3.53Å; L247-P256 WeakPolarHBondContact O-CA 3.39Å; L247-M257 HydrophobicContact CB-CB 4.41Å; L247-M257 HydrophobicContact CD2-CB 4.24Å; L247-M257 HydrophobicContact CD2-CE 4.13Å; L247-M257 HydrophobicContact CD2-SD 3.97Å; L247-M257 HydrophobicContact CG-CB 4.26Å; L247-M257 HydrophobicContact CG-SD 3.96Å; L247-M257 PolarHBondContact O-N 3.45Å; L247-T258 HydrophobicContact CB-CG2 3.85Å; L247-T258 HydrophobicContact CD2-CG2 4.45Å; L247-T258 PolarHBondContact N-O 2.89Å; L247-I295 HydrophobicContact CD2-CG2 4.49Å; L247-Y301 HydrophobicContact CD2-CG 4.27Å; L247-V302 HydrophobicContact CB-CG2 4.18Å; L247-V302 HydrophobicContact CD2-CG2 4.17Å
248	W	97	Very high	94.8	Very high	6 Å²	6	60.7 Å²	60.7	2%	0.023	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.7	-174.9	-55.1	86.3	0	0	0	110.4	K212 A215 D231 I232 T234 A246 M253 P256	K212-W248 HydrophobicContact CD-CZ3 4.2Å; K212-W248 HydrophobicContact CG-CE3 4.37Å; K212-W248 HydrophobicContact CG-CH2 4.14Å; K212-W248 HydrophobicContact CG-CZ3 3.9Å; A215-W248 HydrophobicContact CB-CH2 4.25Å; A215-W248 HydrophobicContact CB-CZ2 3.8Å; A215-W248 WeakPolarHBondContact O-CZ2 3.34Å; D231-W248 WeakPolarHBondContact CB-O 3.33Å; I232-W248 HydrophobicContact CB-CB 4.33Å; I232-W248 PolarHBondContact N-O 2.69Å; I232-W248 PolarHBondContact O-N 2.84Å; T234-W248 PolarHBondContact OG1-NE1 3.47Å; A246-W248 HydrophobicContact CB-CZ2 4.16Å; W248-M253 HydrophobicContact CB-CE 4.03Å; W248-M253 HydrophobicContact CB-SD 3.78Å; W248-M253 HydrophobicContact CD2-CE 4.44Å; W248-M253 HydrophobicContact CE3-CE 4.48Å; W248-M253 HydrophobicContact CG-CE 4.27Å; W248-P256 HydrophobicContact CD2-CB 4.04Å; W248-P256 HydrophobicContact CE3-CB 3.96Å; W248-P256 HydrophobicContact CH2-CB 3.88Å; W248-P256 HydrophobicContact CH2-CG 3.96Å; W248-P256 HydrophobicContact CZ2-CB 3.95Å; W248-P256 HydrophobicContact CZ2-CG 4.35Å; W248-P256 HydrophobicContact CZ3-CB 3.89Å; W248-P256 HydrophobicContact CZ3-CG 4.16Å
249	N	94.8	Very high	94.8	Very high	44 Å²	44	63.2 Å²	63.2	24%	0.235	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-86.4	129.6	171.6	-176.9	-93.3	0	0	0	110.2	D231 Q251 N252 M253 M257	D231-N249 WeakPolarHBondContact OD1-CA 3.16Å; D231-N249 PolarHBondContact OD1-ND2 3.38Å; N249-Q251 VanDerWaalsContact C-N 3.25Å; N249-Q251 PolarHBondContact O-N 3.34Å; N249-Q251 WeakPolarHBondContact OD1-CA 3.45Å; N249-Q251 VanDerWaalsContact OD1-CB 3.28Å; N249-Q251 WeakPolarHBondContact OD1-CB 3.3Å; N249-Q251 PolarHBondContact OD1-N 2.83Å; N249-N252 CarbonylContact O-C 3.58Å; N249-N252 PolarHBondContact O-N 2.93Å; N249-N252 PolarHBondContact OD1-N 2.81Å; N249-M253 PolarHBondContact O-N 3.03Å; N249-M253 VanDerWaalsContact O-SD 3.34Å; N249-M257 HydrophobicContact CB-CG 4.27Å; N249-M257 HydrophobicContact CB-SD 3.89Å
250	T	92	Very high	94.9	Very high	39 Å²	39	55.7 Å²	55.7	24%	0.239	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.9	-176.1	41.3	0	0	0	0	114.5	V200 F226 G230 I232	V200-T250 HydrophobicContact CG2-CG2 4.27Å; F226-T250 HydrophobicContact CE1-CG2 4.32Å; G230-T250 WeakPolarHBondContact O-CG2 3.38Å; G230-T250 PolarHBondContact O-OG1 3.25Å; I232-T250 HydrophobicContact CD1-CG2 3.46Å; I232-T250 VanDerWaalsContact CD1-CG2 3.46Å; I232-T250 HydrophobicContact CG1-CG2 3.7Å
251	Q	91.2	Very high	94.9	Very high	184 Å²	184	54.3 Å²	54.3	86%	0.86	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-26.1	174	-51.2	-179.4	-1.9	0	0	112.1	N249	N249-Q251 VanDerWaalsContact C-N 3.25Å; N249-Q251 PolarHBondContact O-N 3.34Å; N249-Q251 WeakPolarHBondContact OD1-CA 3.45Å; N249-Q251 VanDerWaalsContact OD1-CB 3.28Å; N249-Q251 WeakPolarHBondContact OD1-CB 3.3Å; N249-Q251 PolarHBondContact OD1-N 2.83Å
252	N	92.1	Very high	94.9	Very high	86 Å²	86	53.5 Å²	53.5	46%	0.46	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-135	93.2	173	-176.8	9.8	0	0	0	111.2	N249 E254	N249-N252 CarbonylContact O-C 3.58Å; N249-N252 PolarHBondContact O-N 2.93Å; N249-N252 PolarHBondContact OD1-N 2.81Å; N252-E254 VanDerWaalsContact C-N 3.35Å; N252-E254 WeakPolarHBondContact OD1-CB 3.43Å; N252-E254 WeakPolarHBondContact OD1-CG 3.19Å; N252-E254 PolarHBondContact OD1-N 3.06Å; N252-E254 VanDerWaalsContact OD1-N 3.1Å
253	M	92.4	Very high	94.8	Very high	15 Å²	15	53.1 Å²	53.1	7%	0.074	27%	0.268	C	S	.	.			trans	-87.5	2.5	178.4	-67.3	-70.1	-63.5	0	0	113.3	A210 K212 I232 W248 N249	A210-M253 HydrophobicContact CB-CG 4.19Å; K212-M253 HydrophobicContact CB-CB 4.25Å; K212-M253 HydrophobicContact CB-CE 3.69Å; K212-M253 VanDerWaalsContact CD-O 3.3Å; K212-M253 WeakPolarHBondContact CD-O 3.19Å; I232-M253 HydrophobicContact CD1-CE 4.41Å; I232-M253 HydrophobicContact CD1-SD 4.4Å; W248-M253 HydrophobicContact CB-CE 4.03Å; W248-M253 HydrophobicContact CB-SD 3.78Å; W248-M253 HydrophobicContact CD2-CE 4.44Å; W248-M253 HydrophobicContact CE3-CE 4.48Å; W248-M253 HydrophobicContact CG-CE 4.27Å; N249-M253 PolarHBondContact O-N 3.03Å; N249-M253 VanDerWaalsContact O-SD 3.34Å
254	E	91.4	Very high	94.6	Very high	149 Å²	149	57.9 Å²	57.9	70%	0.696	30%	0.298	S	S	*	.	S	Bend	trans	-62.9	-46	-176.1	-67.2	-172.9	168.7	0	0	112.2	K212 N252	K212-E254 PolarHBondContact NZ-O 2.84Å; N252-E254 VanDerWaalsContact C-N 3.35Å; N252-E254 WeakPolarHBondContact OD1-CB 3.43Å; N252-E254 WeakPolarHBondContact OD1-CG 3.19Å; N252-E254 PolarHBondContact OD1-N 3.06Å; N252-E254 VanDerWaalsContact OD1-N 3.1Å
255	E	92.9	Very high	94.4	Very high	151 Å²	151	58.8 Å²	58.8	71%	0.706	31%	0.307	S	S	*	.	S	Bend	trans	-129	145.5	177.9	-66.1	-166	156.8	0	0	111.3
256	P	95.1	Very high	94	Very high	46 Å²	46	63.9 Å²	63.9	30%	0.299	33%	0.334	S	S	.	.			trans	-71.5	140.2	174.2	29.7	-32.7	0	0	0	110.9	A246 L247 W248 T258 V259	A246-P256 HydrophobicContact CB-CB 4.36Å; L247-P256 CarbonylContact O-C 3.53Å; L247-P256 WeakPolarHBondContact O-CA 3.39Å; W248-P256 HydrophobicContact CD2-CB 4.04Å; W248-P256 HydrophobicContact CE3-CB 3.96Å; W248-P256 HydrophobicContact CH2-CB 3.88Å; W248-P256 HydrophobicContact CH2-CG 3.96Å; W248-P256 HydrophobicContact CZ2-CB 3.95Å; W248-P256 HydrophobicContact CZ2-CG 4.35Å; W248-P256 HydrophobicContact CZ3-CB 3.89Å; W248-P256 HydrophobicContact CZ3-CG 4.16Å; P256-T258 PolarHBondContact O-N 3.02Å; P256-V259 HydrophobicContact CB-CG2 3.77Å; P256-V259 HydrophobicContact CG-CG2 3.39Å
257	M	94.4	Very high	93.8	Very high	63 Å²	63	64.6 Å²	64.6	31%	0.31	34%	0.341	S	S	.	.	S	Bend	trans	-61.9	-32.6	174.9	-63	173.2	66.3	0	0	112.4	L247 N249 Y301	L247-M257 HydrophobicContact CB-CB 4.41Å; L247-M257 HydrophobicContact CD2-CB 4.24Å; L247-M257 HydrophobicContact CD2-CE 4.13Å; L247-M257 HydrophobicContact CD2-SD 3.97Å; L247-M257 HydrophobicContact CG-CB 4.26Å; L247-M257 HydrophobicContact CG-SD 3.96Å; L247-M257 PolarHBondContact O-N 3.45Å; N249-M257 HydrophobicContact CB-CG 4.27Å; N249-M257 HydrophobicContact CB-SD 3.89Å; M257-Y301 HydrophobicContact CB-CD2 4.15Å; M257-Y301 HydrophobicContact CB-CE2 4.25Å; M257-Y301 HydrophobicContact CE-CD1 3.86Å; M257-Y301 HydrophobicContact CE-CD2 4.29Å; M257-Y301 HydrophobicContact CE-CE1 3.82Å; M257-Y301 HydrophobicContact CE-CE2 4.25Å; M257-Y301 HydrophobicContact CE-CG 4.1Å
258	T	95.8	Very high	93.7	Very high	22 Å²	22	65 Å²	65	14%	0.135	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	153.1	171.4	-173.5	0	0	0	0	110.5	A246 L247 P256 N260 P300 V302	A246-T258 WeakPolarHBondContact CA-O 3.39Å; L247-T258 HydrophobicContact CB-CG2 3.85Å; L247-T258 HydrophobicContact CD2-CG2 4.45Å; L247-T258 PolarHBondContact N-O 2.89Å; P256-T258 PolarHBondContact O-N 3.02Å; T258-N260 PolarHBondContact OG1-OD1 3.15Å; T258-P300 WeakPolarHBondContact CB-O 3.41Å; T258-P300 WeakPolarHBondContact CG2-O 3.35Å; T258-V302 HydrophobicContact CG2-CB 4.06Å; T258-V302 HydrophobicContact CG2-CG2 3.63Å
259	V	96.1	Very high	93.7	Very high	59 Å²	59	65 Å²	65	36%	0.358	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	118.3	172.2	-174.8	0	0	0	0	108.8	Q244 L245 A246 P256	Q244-V259 HydrophobicContact CB-CG1 4.34Å; Q244-V259 HydrophobicContact CG-CG1 4.35Å; L245-V259 WeakPolarHBondContact O-CA 3.4Å; A246-V259 HydrophobicContact CB-CG2 4.04Å; P256-V259 HydrophobicContact CB-CG2 3.77Å; P256-V259 HydrophobicContact CG-CG2 3.39Å
260	N	95.6	Very high	93.9	Very high	39 Å²	39	63.6 Å²	63.6	21%	0.209	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.2	177.7	-70.9	-2.3	0	0	0	109.7	L245 T258 V302	L245-N260 HydrophobicContact CB-CB 4.35Å; L245-N260 PolarHBondContact N-O 3.29Å; L245-N260 PolarHBondContact O-N 2.81Å; T258-N260 PolarHBondContact OG1-OD1 3.15Å; N260-V302 PolarHBondContact ND2-O 3.47Å
261	E	95.1	Very high	94.2	Very high	114 Å²	114	62.6 Å²	62.6	53%	0.533	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	143.9	174.2	-46.7	-161.2	122.3	0	0	110.6	Q244	Q244-E261 HydrophobicContact CG-CG 4.24Å; Q244-E261 PolarHBondContact NE2-OE1 2.91Å
262	M	93.4	Very high	94.5	Very high	31 Å²	31	55.5 Å²	55.5	15%	0.153	30%	0.297	C	S	.	.			trans	-123.5	-61.4	-164.5	-75.1	-178.9	-77.1	0	0	116.6	R243 L245 L269 L282 R291 F293	R243-M262 HydrophobicContact CB-CB 4.42Å; R243-M262 HydrophobicContact CB-CE 4.16Å; R243-M262 WeakPolarHBondContact O-CB 3.35Å; R243-M262 PolarHBondContact O-N 3Å; L245-M262 HydrophobicContact CB-CE 3.81Å; L245-M262 HydrophobicContact CB-SD 4.5Å; M262-L269 HydrophobicContact CE-CD1 3.29Å; M262-L269 HydrophobicContact SD-CD1 3.88Å; M262-L282 HydrophobicContact CE-CD1 4.02Å; M262-L282 HydrophobicContact SD-CD1 3.65Å; M262-R291 PolarHBondContact O-NH1 2.94Å; M262-F293 HydrophobicContact SD-CZ 4.2Å
263	D	93.6	Very high	94.8	Very high	36 Å²	36	53 Å²	53	19%	0.193	28%	0.281	C	S	.	.			trans	-168.3	171.8	179.7	65.2	51	0	0	0	110.1	E242 R243 S265 R291	E242-D263 CarbonylContact C-O 3.51Å; E242-D263 WeakPolarHBondContact CA-O 3.4Å; R243-D263 IonicContact CZ-OD1 3.58Å; R243-D263 IonicContact CZ-OD2 3.6Å; R243-D263 PolarHBondContact N-O 3.24Å; R243-D263 IonicContact NE-OD1 3.82Å; R243-D263 PolarHBondContact NE-OD1 3.41Å; R243-D263 IonicContact NE-OD2 3Å; R243-D263 IonicContact NH2-OD1 3.79Å; R243-D263 PolarHBondContact NH2-OD1 2.81Å; R243-D263 VanDerWaalsContact NH2-OD1 3.14Å; R243-D263 IonicContact NH2-OD2 2.76Å; R243-D263 PolarHBondContact NH2-OD2 2.88Å; D263-S265 WeakPolarHBondContact OD1-CB 3.06Å; D263-S265 PolarHBondContact OD1-N 2.62Å; D263-S265 PolarHBondContact OD1-OG 2.72Å; D263-R291 IonicContact OD2-CZ 2.7Å; D263-R291 IonicContact OD2-NE 3.51Å; D263-R291 IonicContact OD2-NH2 3.41Å; D263-R291 PolarHBondContact OD2-NH2 2.96Å
264	T	93.6	Very high	95	Very high	102 Å²	102	52.3 Å²	52.3	63%	0.626	28%	0.278	S	S	*	.			trans	-95.6	23.8	-178.6	47.6	0	0	0	0	113.9	E242	E242-T264 HydrophobicContact CG-CG2 3.68Å
265	S	93.3	Very high	95.2	Very high	43 Å²	43	47.8 Å²	47.8	30%	0.301	26%	0.262	S	S	.	.			trans	-74.1	147.2	-177	-42.7	0	0	0	0	111.9	F237 R243 D263 G267	F237-S265 WeakPolarHBondContact CE1-O 3.3Å; R243-S265 VanDerWaalsContact CD-O 3.32Å; R243-S265 WeakPolarHBondContact CD-O 3.16Å; R243-S265 WeakPolarHBondContact CG-O 3.28Å; R243-S265 PolarHBondContact NH2-OG 3.43Å; D263-S265 WeakPolarHBondContact OD1-CB 3.06Å; D263-S265 PolarHBondContact OD1-N 2.62Å; D263-S265 PolarHBondContact OD1-OG 2.72Å; S265-G267 VanDerWaalsContact C-N 3.35Å; S265-G267 PolarHBondContact O-N 3.18Å
266	N	90.3	Very high	95.4	Very high	108 Å²	108	41.8 Å²	41.8	58%	0.578	23%	0.234	S	C	*	.			trans	-74.2	-19.8	-175.4	-71.3	-45.4	0	0	0	115.2	R220	R220-N266 PolarHBondContact NH1-O 3.4Å; R220-N266 PolarHBondContact NH1-OD1 2.79Å; R220-N266 PolarHBondContact NH2-OD1 3.48Å
267	G	92.2	Very high	95.4	Very high	16 Å²	16	39.9 Å²	39.9	17%	0.165	22%	0.222	C	C	.	.	S	Bend	trans	-78	127.8	-169.9	0	0	0	0	0	113.2	R243 S265 L269	R243-G267 WeakPolarHBondContact CD-O 3.44Å; R243-G267 PolarHBondContact NH1-O 2.94Å; S265-G267 VanDerWaalsContact C-N 3.35Å; S265-G267 PolarHBondContact O-N 3.18Å; G267-L269 PolarHBondContact O-N 3.27Å
268	V	96.1	Very high	95.5	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.067	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-59.8	125.8	173.9	-177.6	0	0	0	0	109.1	P221 R223 F237 G284	P221-V268 HydrophobicContact CB-CG1 4.41Å; P221-V268 HydrophobicContact CB-CG2 3.84Å; P221-V268 HydrophobicContact CG-CG2 3.98Å; R223-V268 HydrophobicContact CG-CG1 4.3Å; F237-V268 HydrophobicContact CE2-CG2 4.4Å; V268-G284 WeakPolarHBondContact O-CA 3.33Å
269	L	97.3	Very high	95.6	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124	178	-73.4	169.1	0	0	0	110.1	R223 T235 R243 M262 G267 P271 L282	R223-L269 WeakPolarHBondContact CG-O 3.42Å; T235-L269 HydrophobicContact CG2-CB 3.97Å; T235-L269 PolarHBondContact OG1-O 2.99Å; R243-L269 HydrophobicContact CB-CD1 3.99Å; R243-L269 VanDerWaalsContact NH1-CD2 3.28Å; M262-L269 HydrophobicContact CE-CD1 3.29Å; M262-L269 HydrophobicContact SD-CD1 3.88Å; G267-L269 PolarHBondContact O-N 3.27Å; L269-P271 WeakPolarHBondContact O-CD 3.28Å; L269-L282 HydrophobicContact CD1-CD1 4.32Å; L269-L282 HydrophobicContact CD2-CB 4.18Å
270	L	97.5	Very high	95.7	Very high	16 Å²	16	35.8 Å²	35.8	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.3	170.7	-55.2	-177.6	0	0	0	108.7	D35 R223 F272 C283	D35-L270 WeakPolarHBondContact O-CD2 3.5Å; R223-L270 HydrophobicContact CG-CD2 4.31Å; L270-F272 HydrophobicContact CB-CD2 4.45Å; L270-F272 HydrophobicContact CB-CE2 3.75Å; L270-F272 HydrophobicContact CB-CZ 4.3Å; L270-C283 WeakPolarHBondContact CB-O 3.36Å; L270-C283 PolarHBondContact N-O 2.64Å; L270-C283 PolarHBondContact O-N 3.42Å
271	P	97.9	Very high	95.8	Very high	17 Å²	17	34 Å²	34	11%	0.11	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.7	174.1	33.3	-32.1	0	0	0	110.5	R223 I225 T235 L269 V280 L282	R223-P271 HydrophobicContact CB-CG 4.01Å; I225-P271 HydrophobicContact CD1-CB 3.72Å; I225-P271 HydrophobicContact CD1-CG 3.86Å; I225-P271 HydrophobicContact CG1-CB 4.24Å; I225-P271 HydrophobicContact CG1-CG 3.95Å; I225-P271 HydrophobicContact CG2-CG 3.93Å; T235-P271 HydrophobicContact CG2-CB 4.15Å; T235-P271 HydrophobicContact CG2-CG 4.24Å; L269-P271 WeakPolarHBondContact O-CD 3.28Å; P271-V280 HydrophobicContact CB-CG2 4.12Å; P271-L282 HydrophobicContact CB-CD2 3.79Å
272	F	98.2	Very high	95.9	Very high	35 Å²	35	28.6 Å²	28.6	15%	0.154	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	104.7	170	-63.8	-90.7	0	0	0	107.6	L270 V280 Y281 M317 Y319 F335	L270-F272 HydrophobicContact CB-CD2 4.45Å; L270-F272 HydrophobicContact CB-CE2 3.75Å; L270-F272 HydrophobicContact CB-CZ 4.3Å; F272-V280 WeakPolarHBondContact O-CA 3.48Å; F272-Y281 PolarHBondContact N-O 3.05Å; F272-Y281 PolarHBondContact O-N 3.3Å; F272-M317 HydrophobicContact CE2-CB 4.38Å; F272-M317 HydrophobicContact CE2-CG 4.23Å; F272-M317 HydrophobicContact CZ-CB 4.28Å; F272-M317 HydrophobicContact CZ-CG 4.32Å; F272-Y319 HydrophobicContact CB-CD2 4.18Å; F272-Y319 HydrophobicContact CB-CE2 4.45Å; F272-Y319 HydrophobicContact CB-CG 4.47Å; F272-Y319 VanDerWaalsContact CD1-CB 3.5Å; F272-Y319 HydrophobicContact CD1-CD2 4.29Å; F272-Y319 AromaticContact CD1-CG 3.9Å; F272-Y319 HydrophobicContact CD1-CG 3.9Å; F272-Y319 HydrophobicContact CG-CD2 4.45Å; F272-Y319 HydrophobicContact CG-CG 4.49Å; F272-F335 HydrophobicContact CB-CE1 4.22Å; F272-F335 HydrophobicContact CB-CZ 4.39Å; F272-F335 HydrophobicContact CD2-CE1 4.05Å; F272-F335 HydrophobicContact CG-CE1 4.06Å
273	Y	98.1	Very high	96.1	Very high	33 Å²	33	27.1 Å²	27.1	13%	0.129	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.9	-177.9	169.8	-111.9	0	0	0	111.2	L227 S228 P275 N278 V280 I295	L227-Y273 HydrophobicContact CB-CE1 4.27Å; L227-Y273 HydrophobicContact CD2-CD1 3.96Å; L227-Y273 HydrophobicContact CD2-CD2 3.65Å; L227-Y273 HydrophobicContact CD2-CE1 4Å; L227-Y273 HydrophobicContact CD2-CE2 3.69Å; L227-Y273 HydrophobicContact CD2-CG 3.78Å; S228-Y273 WeakPolarHBondContact CB-OH 3.22Å; S228-Y273 PolarHBondContact N-OH 2.68Å; S228-Y273 PolarHBondContact OG-OH 3.26Å; Y273-P275 HydrophobicContact CE1-CB 3.88Å; Y273-N278 HydrophobicContact CE2-CB 4.49Å; Y273-N278 PolarHBondContact OH-OD1 2.85Å; Y273-V280 HydrophobicContact CD2-CB 4.36Å; Y273-I295 HydrophobicContact CD2-CD1 4.3Å; Y273-I295 HydrophobicContact CE2-CD1 4.25Å
274	D	97.8	Very high	96.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	106.8	176.1	177.3	2.6	0	0	0	110	D276 T277 N278 V279 K322	D274-D276 PolarHBondContact O-N 3.02Å; D274-D276 WeakPolarHBondContact OD1-CB 3.2Å; D274-D276 PolarHBondContact OD1-N 2.98Å; D274-T277 WeakPolarHBondContact CB-OG1 3.16Å; D274-T277 PolarHBondContact O-N 2.76Å; D274-T277 WeakPolarHBondContact OD2-CB 3.41Å; D274-T277 WeakPolarHBondContact OD2-CG2 3.39Å; D274-T277 PolarHBondContact OD2-OG1 2.66Å; D274-N278 VanDerWaalsContact O-CA 3.3Å; D274-N278 WeakPolarHBondContact O-CA 3.29Å; D274-N278 PolarHBondContact O-N 2.93Å; D274-V279 WeakPolarHBondContact CB-O 3.35Å; D274-V279 PolarHBondContact N-O 2.77Å; D274-K322 WeakPolarHBondContact OD1-CE 3.42Å; D274-K322 IonicContact OD1-NZ 2.62Å; D274-K322 PolarHBondContact OD1-NZ 3.47Å; D274-K322 VanDerWaalsContact OD1-NZ 3.09Å; D274-K322 WeakPolarHBondContact OD2-CE 3.44Å; D274-K322 IonicContact OD2-NZ 3.41Å; D274-K322 PolarHBondContact OD2-NZ 2.9Å
275	P	95.8	Very high	96.2	Very high	55 Å²	55	22.7 Å²	22.7	36%	0.357	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.2	-177.4	30.6	-36.4	0	0	0	113.8	Y273	Y273-P275 HydrophobicContact CE1-CB 3.88Å
276	D	95.8	Very high	96.2	Very high	24 Å²	24	23.1 Å²	23.1	13%	0.128	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-28.3	-178.1	-60.5	-18.2	0	0	0	111.6	D274 K322 P363 T365	D274-D276 PolarHBondContact O-N 3.02Å; D274-D276 WeakPolarHBondContact OD1-CB 3.2Å; D274-D276 PolarHBondContact OD1-N 2.98Å; D276-K322 WeakPolarHBondContact OD2-CD 2.87Å; D276-K322 WeakPolarHBondContact OD2-CE 3.45Å; D276-K322 WeakPolarHBondContact OD2-CG 3.4Å; D276-P363 HydrophobicContact CB-CG 3.81Å; D276-T365 PolarHBondContact OD1-OG1 2.85Å; D276-T365 WeakPolarHBondContact OD2-CB 3.37Å; D276-T365 PolarHBondContact OD2-OG1 2.92Å
277	T	95.3	Very high	96.5	Very high	6 Å²	6	18.7 Å²	18.7	4%	0.037	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-11.3	-178.9	67.3	0	0	0	0	113.8	F10 D274 V279	F10-T277 HydrophobicContact CE1-CG2 3.81Å; F10-T277 WeakPolarHBondContact CE2-O 3.48Å; F10-T277 HydrophobicContact CZ-CG2 3.6Å; D274-T277 WeakPolarHBondContact CB-OG1 3.16Å; D274-T277 PolarHBondContact O-N 2.76Å; D274-T277 WeakPolarHBondContact OD2-CB 3.41Å; D274-T277 WeakPolarHBondContact OD2-CG2 3.39Å; D274-T277 PolarHBondContact OD2-OG1 2.66Å; T277-V279 PolarHBondContact O-N 2.93Å; T277-V279 WeakPolarHBondContact OG1-CB 3.39Å; T277-V279 WeakPolarHBondContact OG1-CG2 3.49Å; T277-V279 PolarHBondContact OG1-N 2.6Å
278	N	96.4	Very high	96.7	Very high	59 Å²	59	20 Å²	20	32%	0.316	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	24.2	-166.6	-66.7	-33.9	0	0	0	114.2	S228 Y273 D274 I295	S228-N278 PolarHBondContact OG-OD1 2.86Å; Y273-N278 HydrophobicContact CE2-CB 4.49Å; Y273-N278 PolarHBondContact OH-OD1 2.85Å; D274-N278 VanDerWaalsContact O-CA 3.3Å; D274-N278 WeakPolarHBondContact O-CA 3.29Å; D274-N278 PolarHBondContact O-N 2.93Å; N278-I295 WeakPolarHBondContact CB-O 3.3Å; N278-I295 PolarHBondContact O-N 3.09Å
279	V	97.5	Very high	96.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.5	173.4	-179.9	0	0	0	0	109.6	F10 I13 D274 T277 Y281 F293 L305	F10-V279 HydrophobicContact CB-CG2 4.36Å; F10-V279 HydrophobicContact CD1-CG2 4.41Å; F10-V279 HydrophobicContact CD2-CG2 4.04Å; F10-V279 HydrophobicContact CE2-CG2 4.41Å; F10-V279 HydrophobicContact CG-CG2 4.02Å; I13-V279 HydrophobicContact CD1-CG2 4.22Å; D274-V279 WeakPolarHBondContact CB-O 3.35Å; D274-V279 PolarHBondContact N-O 2.77Å; T277-V279 PolarHBondContact O-N 2.93Å; T277-V279 WeakPolarHBondContact OG1-CB 3.39Å; T277-V279 WeakPolarHBondContact OG1-CG2 3.49Å; T277-V279 PolarHBondContact OG1-N 2.6Å; V279-Y281 HydrophobicContact CB-CE2 4.2Å; V279-Y281 HydrophobicContact CG1-CD2 4.21Å; V279-Y281 HydrophobicContact CG1-CE1 4.07Å; V279-Y281 HydrophobicContact CG1-CE2 3.66Å; V279-F293 CarbonylContact C-O 3.59Å; V279-F293 WeakPolarHBondContact CA-O 3.34Å; V279-L305 HydrophobicContact CG1-CD1 4.26Å; V279-L305 HydrophobicContact CG2-CD1 4.23Å
280	V	98.2	Very high	96.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135	168.2	63.4	0	0	0	0	110.6	L233 P271 F272 Y273 L282 Y292 F293 I295	L233-V280 HydrophobicContact CD2-CB 4.02Å; L233-V280 HydrophobicContact CD2-CG1 3.92Å; L233-V280 HydrophobicContact CD2-CG2 3.64Å; P271-V280 HydrophobicContact CB-CG2 4.12Å; F272-V280 WeakPolarHBondContact O-CA 3.48Å; Y273-V280 HydrophobicContact CD2-CB 4.36Å; V280-L282 HydrophobicContact CG2-CD2 3.88Å; V280-Y292 CarbonylContact O-C 3.6Å; V280-Y292 VanDerWaalsContact O-CA 3.22Å; V280-Y292 WeakPolarHBondContact O-CA 3.29Å; V280-Y292 WeakPolarHBondContact O-CB 3.24Å; V280-F293 HydrophobicContact CG1-CB 3.92Å; V280-F293 HydrophobicContact CG1-CD2 4.47Å; V280-F293 PolarHBondContact N-O 2.89Å; V280-F293 PolarHBondContact O-N 2.84Å; V280-I295 HydrophobicContact CB-CD1 4.34Å; V280-I295 HydrophobicContact CG1-CD1 4.02Å; V280-I295 HydrophobicContact CG1-CG1 4.23Å
281	Y	98.5	Very high	96.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.1	174.9	-54.2	-97.2	0	0	0	109.3	F272 V279 I290 R291 Y292 Y319 I332 A333 F335 M348	F272-Y281 PolarHBondContact N-O 3.05Å; F272-Y281 PolarHBondContact O-N 3.3Å; V279-Y281 HydrophobicContact CB-CE2 4.2Å; V279-Y281 HydrophobicContact CG1-CD2 4.21Å; V279-Y281 HydrophobicContact CG1-CE1 4.07Å; V279-Y281 HydrophobicContact CG1-CE2 3.66Å; Y281-I290 HydrophobicContact CD1-CG2 4.34Å; Y281-R291 CarbonylContact C-O 3.19Å; Y281-R291 WeakPolarHBondContact CA-O 3.36Å; Y281-Y292 AromaticContact CD1-CD1 3.93Å; Y281-Y292 HydrophobicContact CD1-CD1 3.93Å; Y281-Y292 AromaticContact CD1-CG 3.88Å; Y281-Y292 HydrophobicContact CD1-CG 3.88Å; Y281-Y292 HydrophobicContact CE1-CD1 4.23Å; Y281-Y292 AromaticContact CE1-CG 3.98Å; Y281-Y292 HydrophobicContact CE1-CG 3.98Å; Y281-Y319 HydrophobicContact CD2-CE2 4.45Å; Y281-I332 VanDerWaalsContact OH-CD1 3.31Å; Y281-I332 WeakPolarHBondContact OH-CD1 3.37Å; Y281-A333 HydrophobicContact CE2-CB 4.04Å; Y281-F335 VanDerWaalsContact CB-CZ 3.44Å; Y281-F335 AromaticContact CD1-CE2 3.61Å; Y281-F335 HydrophobicContact CD1-CE2 3.61Å; Y281-F335 AromaticContact CD1-CZ 3.84Å; Y281-F335 HydrophobicContact CD1-CZ 3.84Å; Y281-F335 HydrophobicContact CD2-CE2 4.17Å; Y281-F335 AromaticContact CD2-CZ 3.81Å; Y281-F335 HydrophobicContact CD2-CZ 3.81Å; Y281-F335 HydrophobicContact CE1-CE2 4.04Å; Y281-F335 AromaticContact CG-CE2 3.71Å; Y281-F335 HydrophobicContact CG-CE2 3.71Å; Y281-F335 AromaticContact CG-CZ 3.42Å; Y281-F335 HydrophobicContact CG-CZ 3.42Å; Y281-F335 VanDerWaalsContact CG-CZ 3.42Å; Y281-M348 HydrophobicContact CD1-CE 4.38Å; Y281-M348 HydrophobicContact CE1-CB 4.43Å; Y281-M348 HydrophobicContact CE1-CE 3.9Å; Y281-M348 HydrophobicContact CE1-CG 4.01Å
282	L	98.1	Very high	96.7	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.7	178.3	-51.1	-175.7	0	0	0	110	T235 L245 M262 L269 P271 V280 R291 F293	T235-L282 HydrophobicContact CG2-CD2 3.86Å; L245-L282 HydrophobicContact CB-CD1 4.38Å; L245-L282 HydrophobicContact CD1-CD1 3.92Å; L245-L282 HydrophobicContact CD1-CD2 4.15Å; L245-L282 HydrophobicContact CD2-CD1 4.01Å; L245-L282 HydrophobicContact CG-CD1 4.33Å; M262-L282 HydrophobicContact CE-CD1 4.02Å; M262-L282 HydrophobicContact SD-CD1 3.65Å; L269-L282 HydrophobicContact CD1-CD1 4.32Å; L269-L282 HydrophobicContact CD2-CB 4.18Å; P271-L282 HydrophobicContact CB-CD2 3.79Å; V280-L282 HydrophobicContact CG2-CD2 3.88Å; L282-R291 PolarHBondContact N-O 2.82Å; L282-R291 PolarHBondContact O-N 2.9Å; L282-F293 HydrophobicContact CD1-CD2 4.2Å; L282-F293 HydrophobicContact CD1-CE2 3.64Å; L282-F293 HydrophobicContact CD1-CZ 4.43Å; L282-F293 HydrophobicContact CG-CD2 4.32Å; L282-F293 HydrophobicContact CG-CE2 4.08Å
283	C	96.1	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	143.3	171.3	67.2	0	0	0	0	110.4	L270 I290 Q314 M317	L270-C283 WeakPolarHBondContact CB-O 3.36Å; L270-C283 PolarHBondContact N-O 2.64Å; L270-C283 PolarHBondContact O-N 3.42Å; C283-I290 HydrophobicContact CB-CG1 4.12Å; C283-I290 HydrophobicContact CB-CG2 4.42Å; C283-Q314 PolarHBondContact SG-NE2 2.66Å; C283-M317 HydrophobicContact CB-CE 4.5Å
284	G	94.6	Very high	96.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.9	179.3	0	0	0	0	0	112.5	V268 G286 D287 Q314	V268-G284 WeakPolarHBondContact O-CA 3.33Å; G284-G286 PolarHBondContact O-N 3.1Å; G284-D287 VanDerWaalsContact CA-OD2 3.25Å; G284-D287 WeakPolarHBondContact CA-OD2 3.46Å; G284-D287 PolarHBondContact N-OD2 2.88Å; G284-D287 WeakPolarHBondContact O-CB 3.47Å; G284-D287 PolarHBondContact O-N 2.79Å; G284-Q314 WeakPolarHBondContact O-CG 3.11Å; G284-Q314 PolarHBondContact O-NE2 3.09Å
285	K	94.7	Very high	96.5	Very high	45 Å²	45	19.8 Å²	19.8	20%	0.196	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	130.9	173.5	-68	-172	179.8	178.8	0	109.5	W34 S36 F38 R315	W34-K285 PolarHBondContact O-NZ 2.88Å; S36-K285 WeakPolarHBondContact O-CE 3.37Å; S36-K285 PolarHBondContact O-NZ 2.91Å; F38-K285 VanDerWaalsContact CD2-NZ 3.3Å; F38-K285 VanDerWaalsContact CE2-NZ 3.3Å; F38-K285 VanDerWaalsContact CG-NZ 3.33Å; F38-K285 VanDerWaalsContact CZ-NZ 3.34Å; K285-R315 VanDerWaalsContact CD-O 3.26Å; K285-R315 WeakPolarHBondContact CD-O 3.37Å; K285-R315 WeakPolarHBondContact CE-O 3.39Å
286	G	94.7	Very high	96.5	Very high	52 Å²	52	18.5 Å²	18.5	54%	0.536	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-18.3	-171.5	0	0	0	0	0	115.2	G284 P313 Q314	G284-G286 PolarHBondContact O-N 3.1Å; G286-P313 VanDerWaalsContact O-CB 3.29Å; G286-P313 WeakPolarHBondContact O-CB 3.45Å; G286-Q314 PolarHBondContact N-O 3.03Å
287	D	95.8	Very high	96.2	Very high	15 Å²	15	24 Å²	24	8%	0.08	14%	0.139	C	C	.	.			trans	-72.2	146.6	176.6	-69.1	-44.6	0	0	0	111.6	R243 G284 P313 Q314	R243-D287 IonicContact CZ-OD1 3.32Å; R243-D287 IonicContact CZ-OD2 3.69Å; R243-D287 IonicContact NH1-OD1 2.63Å; R243-D287 PolarHBondContact NH1-OD1 3.28Å; R243-D287 IonicContact NH1-OD2 2.93Å; R243-D287 PolarHBondContact NH1-OD2 2.94Å; R243-D287 IonicContact NH2-OD1 2.75Å; R243-D287 PolarHBondContact NH2-OD1 2.95Å; R243-D287 IonicContact NH2-OD2 2.78Å; R243-D287 PolarHBondContact NH2-OD2 2.96Å; G284-D287 VanDerWaalsContact CA-OD2 3.25Å; G284-D287 WeakPolarHBondContact CA-OD2 3.46Å; G284-D287 PolarHBondContact N-OD2 2.88Å; G284-D287 WeakPolarHBondContact O-CB 3.47Å; G284-D287 PolarHBondContact O-N 2.79Å; D287-P313 CarbonylContact O-C 3.48Å; D287-P313 WeakPolarHBondContact O-CA 3.36Å; D287-Q314 WeakPolarHBondContact O-CG 3.35Å; D287-Q314 PolarHBondContact O-N 3.29Å
288	S	95.8	Very high	95.8	Very high	43 Å²	43	30 Å²	30	30%	0.301	17%	0.167	S	C	.	.	S	Bend	trans	-97.9	3.7	168.6	75.1	0	0	0	0	113.3	S310 E312	S288-S310 VanDerWaalsContact CB-O 3.22Å; S288-S310 WeakPolarHBondContact CB-O 3.49Å; S288-S310 PolarHBondContact O-N 3.49Å; S288-S310 PolarHBondContact O-OG 2.89Å; S288-S310 PolarHBondContact OG-O 3.22Å; S288-S310 VanDerWaalsContact OG-O 3.13Å; S288-E312 WeakPolarHBondContact CB-O 3.43Å
289	S	96.4	Very high	95.4	Very high	19 Å²	19	30.6 Å²	30.6	13%	0.133	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.4	-173.6	64.8	0	0	0	0	114	F308	S289-F308 CarbonylContact C-O 3.54Å; S289-F308 WeakPolarHBondContact CA-O 3.46Å; S289-F308 VanDerWaalsContact CB-O 3.29Å; S289-F308 WeakPolarHBondContact CB-O 3.37Å
290	I	98	Very high	95.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.9	167.6	-52.4	173.1	0	0	0	107.2	Y281 C283 T307 F308 M317 F335 I346	Y281-I290 HydrophobicContact CD1-CG2 4.34Å; C283-I290 HydrophobicContact CB-CG1 4.12Å; C283-I290 HydrophobicContact CB-CG2 4.42Å; I290-T307 CarbonylContact O-C 3.59Å; I290-T307 WeakPolarHBondContact O-CA 3.5Å; I290-F308 HydrophobicContact CB-CB 4.38Å; I290-F308 HydrophobicContact CD1-CD1 4.3Å; I290-F308 HydrophobicContact CG1-CD1 4.34Å; I290-F308 PolarHBondContact N-O 2.92Å; I290-F308 PolarHBondContact O-N 2.85Å; I290-M317 HydrophobicContact CD1-CE 3.8Å; I290-M317 HydrophobicContact CD1-SD 4.3Å; I290-M317 HydrophobicContact CG1-CE 4.09Å; I290-F335 HydrophobicContact CD1-CB 4.16Å; I290-F335 HydrophobicContact CD1-CD1 4.35Å; I290-F335 HydrophobicContact CD1-CD2 4.1Å; I290-F335 HydrophobicContact CD1-CG 3.92Å; I290-I346 HydrophobicContact CD1-CD1 4Å
291	R	97.9	Very high	94.9	Very high	56 Å²	56	37.4 Å²	37.4	21%	0.211	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	146.5	175.9	-58.7	-178.6	-178.4	-144.9	0.4	108.9	M262 D263 Y281 L282 F293 T307	M262-R291 PolarHBondContact O-NH1 2.94Å; D263-R291 IonicContact OD2-CZ 2.7Å; D263-R291 IonicContact OD2-NE 3.51Å; D263-R291 IonicContact OD2-NH2 3.41Å; D263-R291 PolarHBondContact OD2-NH2 2.96Å; Y281-R291 CarbonylContact C-O 3.19Å; Y281-R291 WeakPolarHBondContact CA-O 3.36Å; L282-R291 PolarHBondContact N-O 2.82Å; L282-R291 PolarHBondContact O-N 2.9Å; R291-F293 HydrophobicContact CB-CE2 4Å; R291-T307 HydrophobicContact CG-CG2 4.01Å
292	Y	97.6	Very high	94.8	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.8	176.1	39.8	-81.7	0	0	0	114.2	I13 V280 Y281 L305 N306 F308 M348	I13-Y292 HydrophobicContact CB-CD2 4.45Å; I13-Y292 HydrophobicContact CB-CE2 3.86Å; I13-Y292 HydrophobicContact CG2-CD2 4.2Å; I13-Y292 HydrophobicContact CG2-CE2 3.63Å; I13-Y292 PolarHBondContact O-OH 3.43Å; V280-Y292 CarbonylContact O-C 3.6Å; V280-Y292 VanDerWaalsContact O-CA 3.22Å; V280-Y292 WeakPolarHBondContact O-CA 3.29Å; V280-Y292 WeakPolarHBondContact O-CB 3.24Å; Y281-Y292 AromaticContact CD1-CD1 3.93Å; Y281-Y292 HydrophobicContact CD1-CD1 3.93Å; Y281-Y292 AromaticContact CD1-CG 3.88Å; Y281-Y292 HydrophobicContact CD1-CG 3.88Å; Y281-Y292 HydrophobicContact CE1-CD1 4.23Å; Y281-Y292 AromaticContact CE1-CG 3.98Å; Y281-Y292 HydrophobicContact CE1-CG 3.98Å; Y292-L305 HydrophobicContact CD2-CB 3.86Å; Y292-L305 HydrophobicContact CD2-CD1 4.15Å; Y292-L305 HydrophobicContact CE2-CB 4.27Å; Y292-L305 WeakPolarHBondContact O-CB 3.49Å; Y292-L305 PolarHBondContact O-N 3.01Å; Y292-N306 WeakPolarHBondContact CD1-O 3.35Å; Y292-N306 HydrophobicContact CE2-CB 3.64Å; Y292-N306 PolarHBondContact N-O 3.46Å; Y292-N306 VanDerWaalsContact N-O 3.07Å; Y292-F308 HydrophobicContact CE1-CB 4.3Å; Y292-M348 HydrophobicContact CD1-CE 3.82Å; Y292-M348 HydrophobicContact CE1-CE 3.33Å; Y292-M348 HydrophobicContact CE2-CE 4.28Å; Y292-M348 HydrophobicContact CG-CE 4.49Å
293	F	97.5	Very high	94.7	Very high	9 Å²	9	39 Å²	39	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.8	-171.5	-54	-105.2	0	0	0	109.2	L245 M262 V279 V280 L282 R291 V302 H303 F304	L245-F293 HydrophobicContact CD2-CD1 4.29Å; L245-F293 HydrophobicContact CD2-CD2 4.14Å; L245-F293 HydrophobicContact CD2-CE1 4.34Å; L245-F293 HydrophobicContact CD2-CE2 4.23Å; L245-F293 HydrophobicContact CD2-CG 4.21Å; L245-F293 HydrophobicContact CD2-CZ 4.32Å; M262-F293 HydrophobicContact SD-CZ 4.2Å; V279-F293 CarbonylContact C-O 3.59Å; V279-F293 WeakPolarHBondContact CA-O 3.34Å; V280-F293 HydrophobicContact CG1-CB 3.92Å; V280-F293 HydrophobicContact CG1-CD2 4.47Å; V280-F293 PolarHBondContact N-O 2.89Å; V280-F293 PolarHBondContact O-N 2.84Å; L282-F293 HydrophobicContact CD1-CD2 4.2Å; L282-F293 HydrophobicContact CD1-CE2 3.64Å; L282-F293 HydrophobicContact CD1-CZ 4.43Å; L282-F293 HydrophobicContact CG-CD2 4.32Å; L282-F293 HydrophobicContact CG-CE2 4.08Å; R291-F293 HydrophobicContact CB-CE2 4Å; F293-V302 HydrophobicContact CB-CG1 3.88Å; F293-V302 HydrophobicContact CD1-CG1 3.87Å; F293-V302 HydrophobicContact CG-CG1 4.09Å; F293-H303 CarbonylContact C-O 3.6Å; F293-H303 WeakPolarHBondContact CA-O 3.46Å; F293-F304 HydrophobicContact CD1-CB 3.82Å; F293-F304 HydrophobicContact CD1-CD2 4.13Å; F293-F304 HydrophobicContact CE1-CB 3.82Å; F293-F304 AromaticContact CE1-CD2 3.73Å; F293-F304 HydrophobicContact CE1-CD2 3.73Å; F293-F304 HydrophobicContact CE1-CG 4.25Å; F293-F304 HydrophobicContact CE2-CD2 4.48Å; F293-F304 AromaticContact CZ-CD2 3.92Å; F293-F304 HydrophobicContact CZ-CD2 3.92Å
294	E	96.9	Very high	94.7	Very high	15 Å²	15	44.2 Å²	44.2	7%	0.07	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.4	170.6	-173.1	-175.5	178	0	0	108.8	R6 S8 F10 T296 H303 L305	R6-E294 IonicContact CZ-OE1 3.43Å; R6-E294 IonicContact CZ-OE2 2.72Å; R6-E294 IonicContact NH1-OE1 3.54Å; R6-E294 IonicContact NH1-OE2 2.83Å; R6-E294 PolarHBondContact NH1-OE2 2.77Å; R6-E294 IonicContact NH2-OE1 3.43Å; R6-E294 PolarHBondContact NH2-OE1 2.8Å; R6-E294 IonicContact NH2-OE2 2.66Å; R6-E294 PolarHBondContact NH2-OE2 2.96Å; S8-E294 WeakPolarHBondContact CB-OE2 3.47Å; S8-E294 VanDerWaalsContact OG-CD 3.32Å; S8-E294 PolarHBondContact OG-OE1 2.73Å; S8-E294 PolarHBondContact OG-OE2 3.23Å; F10-E294 HydrophobicContact CD2-CG 4.29Å; E294-T296 HydrophobicContact CG-CG2 4.26Å; E294-H303 PolarHBondContact N-O 3.16Å; E294-H303 PolarHBondContact O-N 2.59Å; E294-L305 HydrophobicContact CB-CD1 4.05Å; E294-L305 HydrophobicContact CB-CD2 3.98Å; E294-L305 HydrophobicContact CB-CG 4.07Å
295	I	95.9	Very high	94.7	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.8	177.5	-50.4	177.4	0	0	0	108.8	L227 L233 L247 Y273 N278 V280 Y301	L227-I295 HydrophobicContact CD1-CD1 3.71Å; L227-I295 HydrophobicContact CD1-CG2 4.05Å; L227-I295 HydrophobicContact CD2-CD1 3.69Å; L227-I295 HydrophobicContact CG-CD1 4.39Å; L233-I295 HydrophobicContact CD1-CD1 4.17Å; L233-I295 HydrophobicContact CD2-CD1 4.06Å; L247-I295 HydrophobicContact CD2-CG2 4.49Å; Y273-I295 HydrophobicContact CD2-CD1 4.3Å; Y273-I295 HydrophobicContact CE2-CD1 4.25Å; N278-I295 WeakPolarHBondContact CB-O 3.3Å; N278-I295 PolarHBondContact O-N 3.09Å; V280-I295 HydrophobicContact CB-CD1 4.34Å; V280-I295 HydrophobicContact CG1-CD1 4.02Å; V280-I295 HydrophobicContact CG1-CG1 4.23Å; I295-Y301 CarbonylContact C-O 3.5Å; I295-Y301 WeakPolarHBondContact CA-O 3.25Å
296	T	94.4	Very high	94.8	Very high	28 Å²	28	45.5 Å²	45.5	17%	0.172	26%	0.255	C	S	.	.			trans	-144.5	159.9	-179.5	61.7	0	0	0	0	111.5	E294 E298 Y301 H303	E294-T296 HydrophobicContact CG-CG2 4.26Å; T296-E298 PolarHBondContact O-N 3.29Å; T296-E298 PolarHBondContact OG1-N 3.5Å; T296-E298 PolarHBondContact OG1-O 3.14Å; T296-Y301 PolarHBondContact N-O 3.47Å; T296-Y301 VanDerWaalsContact O-CA 3.29Å; T296-Y301 WeakPolarHBondContact O-CA 3.35Å; T296-Y301 WeakPolarHBondContact O-CD1 3.49Å; T296-H303 PolarHBondContact OG1-CD2 3.18Å; T296-H303 VanDerWaalsContact OG1-CD2 3.29Å; T296-H303 PolarHBondContact OG1-NE2 3.04Å
297	D	89.4	Confident	94.9	Very high	140 Å²	140	44.9 Å²	44.9	75%	0.749	24%	0.241	S	C	*	.	S	Bend	trans	-71.7	-8.4	173.8	-43	-54.1	0	0	0	113.4	Y301	D297-Y301 VanDerWaalsContact O-CE1 3.29Å; D297-Y301 WeakPolarHBondContact O-CE1 3.38Å
298	E	88.4	Confident	95	Very high	131 Å²	131	45.3 Å²	45.3	61%	0.612	24%	0.242	S	C	*	.	S	Bend	trans	-89.8	125	175.2	-66.5	-174.9	164.9	0	0	112.4	T296 Y301 H303	T296-E298 PolarHBondContact O-N 3.29Å; T296-E298 PolarHBondContact OG1-N 3.5Å; T296-E298 PolarHBondContact OG1-O 3.14Å; E298-Y301 VanDerWaalsContact O-CA 3.24Å; E298-Y301 WeakPolarHBondContact O-CA 3.48Å; E298-Y301 PolarHBondContact O-N 2.73Å; E298-H303 PolarHBondContact O-NE2 3.06Å
299	A	87.8	Confident	95	Very high	72 Å²	72	48.1 Å²	48.1	60%	0.595	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	137	173.2	0	0	0	0	0	112.3	Y301	A299-Y301 VanDerWaalsContact C-N 3.29Å; A299-Y301 VanDerWaalsContact CA-N 3.26Å; A299-Y301 HydrophobicContact CB-CE2 4.15Å
300	P	91.7	Very high	94.9	Very high	74 Å²	74	48.4 Å²	48.4	48%	0.481	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.9	22.3	9.5	36.1	-40.1	0	0	0	115.3	T258 V302	T258-P300 WeakPolarHBondContact CB-O 3.41Å; T258-P300 WeakPolarHBondContact CG2-O 3.35Å; P300-V302 PolarHBondContact O-N 2.63Å
301	Y	93.6	Very high	94.6	Very high	69 Å²	69	58.2 Å²	58.2	27%	0.271	30%	0.302	S	S	.	.	S	Bend	trans	68.2	-47.7	177.1	-46.7	-76.9	0	0	0	115.1	L247 M257 I295 T296 D297 E298 A299 H303	L247-Y301 HydrophobicContact CD2-CG 4.27Å; M257-Y301 HydrophobicContact CB-CD2 4.15Å; M257-Y301 HydrophobicContact CB-CE2 4.25Å; M257-Y301 HydrophobicContact CE-CD1 3.86Å; M257-Y301 HydrophobicContact CE-CD2 4.29Å; M257-Y301 HydrophobicContact CE-CE1 3.82Å; M257-Y301 HydrophobicContact CE-CE2 4.25Å; M257-Y301 HydrophobicContact CE-CG 4.1Å; I295-Y301 CarbonylContact C-O 3.5Å; I295-Y301 WeakPolarHBondContact CA-O 3.25Å; T296-Y301 PolarHBondContact N-O 3.47Å; T296-Y301 VanDerWaalsContact O-CA 3.29Å; T296-Y301 WeakPolarHBondContact O-CA 3.35Å; T296-Y301 WeakPolarHBondContact O-CD1 3.49Å; D297-Y301 VanDerWaalsContact O-CE1 3.29Å; D297-Y301 WeakPolarHBondContact O-CE1 3.38Å; E298-Y301 VanDerWaalsContact O-CA 3.24Å; E298-Y301 WeakPolarHBondContact O-CA 3.48Å; E298-Y301 PolarHBondContact O-N 2.73Å; A299-Y301 VanDerWaalsContact C-N 3.29Å; A299-Y301 VanDerWaalsContact CA-N 3.26Å; A299-Y301 HydrophobicContact CB-CE2 4.15Å; Y301-H303 PolarHBondContact O-CD2 3.08Å
302	V	95.9	Very high	94.4	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	104.2	-178.6	-177.7	0	0	0	0	110	L233 L245 L247 T258 N260 F293 P300	L233-V302 HydrophobicContact CD1-CG2 4.49Å; L245-V302 HydrophobicContact CD2-CG1 3.66Å; L247-V302 HydrophobicContact CB-CG2 4.18Å; L247-V302 HydrophobicContact CD2-CG2 4.17Å; T258-V302 HydrophobicContact CG2-CB 4.06Å; T258-V302 HydrophobicContact CG2-CG2 3.63Å; N260-V302 PolarHBondContact ND2-O 3.47Å; F293-V302 HydrophobicContact CB-CG1 3.88Å; F293-V302 HydrophobicContact CD1-CG1 3.87Å; F293-V302 HydrophobicContact CG-CG1 4.09Å; P300-V302 PolarHBondContact O-N 2.63Å
303	H	95.4	Very high	94.3	Very high	31 Å²	31	63.5 Å²	63.5	14%	0.144	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115	-173.5	-59.5	-100	0	0	0	110.9	R6 F293 E294 T296 E298 Y301 L305	R6-H303 VanDerWaalsContact CD-CE1 3.44Å; R6-H303 WeakPolarHBondContact CD-CE1 3.3Å; F293-H303 CarbonylContact C-O 3.6Å; F293-H303 WeakPolarHBondContact CA-O 3.46Å; E294-H303 PolarHBondContact N-O 3.16Å; E294-H303 PolarHBondContact O-N 2.59Å; T296-H303 PolarHBondContact OG1-CD2 3.18Å; T296-H303 VanDerWaalsContact OG1-CD2 3.29Å; T296-H303 PolarHBondContact OG1-NE2 3.04Å; E298-H303 PolarHBondContact O-NE2 3.06Å; Y301-H303 PolarHBondContact O-CD2 3.08Å; H303-L305 PolarHBondContact O-N 3.34Å
304	F	95.9	Very high	94.2	Very high	110 Å²	110	63.2 Å²	63.2	48%	0.482	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	127.4	173.6	175.7	-103.8	0	0	0	111.4	F293 N306 T307	F293-F304 HydrophobicContact CD1-CB 3.82Å; F293-F304 HydrophobicContact CD1-CD2 4.13Å; F293-F304 HydrophobicContact CE1-CB 3.82Å; F293-F304 AromaticContact CE1-CD2 3.73Å; F293-F304 HydrophobicContact CE1-CD2 3.73Å; F293-F304 HydrophobicContact CE1-CG 4.25Å; F293-F304 HydrophobicContact CE2-CD2 4.48Å; F293-F304 AromaticContact CZ-CD2 3.92Å; F293-F304 HydrophobicContact CZ-CD2 3.92Å; F304-N306 WeakPolarHBondContact CE2-O 3.21Å; F304-N306 VanDerWaalsContact CZ-C 3.43Å; F304-T307 WeakPolarHBondContact CE2-OG1 3.49Å; F304-T307 WeakPolarHBondContact CZ-OG1 3.35Å
305	L	95.4	Very high	94.2	Very high	5 Å²	5	66.1 Å²	66.1	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-67.2	178.6	-65	176.5	0	0	0	111	F10 R11 I13 V279 Y292 E294 H303	F10-L305 HydrophobicContact CB-CD1 3.95Å; F10-L305 HydrophobicContact CB-CD2 4.38Å; R11-L305 PolarHBondContact NH1-O 3.38Å; I13-L305 HydrophobicContact CD1-CD1 4.02Å; V279-L305 HydrophobicContact CG1-CD1 4.26Å; V279-L305 HydrophobicContact CG2-CD1 4.23Å; Y292-L305 HydrophobicContact CD2-CB 3.86Å; Y292-L305 HydrophobicContact CD2-CD1 4.15Å; Y292-L305 HydrophobicContact CE2-CB 4.27Å; Y292-L305 WeakPolarHBondContact O-CB 3.49Å; Y292-L305 PolarHBondContact O-N 3.01Å; E294-L305 HydrophobicContact CB-CD1 4.05Å; E294-L305 HydrophobicContact CB-CD2 3.98Å; E294-L305 HydrophobicContact CB-CG 4.07Å; H303-L305 PolarHBondContact O-N 3.34Å
306	N	96.5	Very high	94.2	Very high	66 Å²	66	65.5 Å²	65.5	35%	0.353	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	177.7	-175.1	-162.6	9.6	0	0	0	110.5	Y292 F304	Y292-N306 WeakPolarHBondContact CD1-O 3.35Å; Y292-N306 HydrophobicContact CE2-CB 3.64Å; Y292-N306 PolarHBondContact N-O 3.46Å; Y292-N306 VanDerWaalsContact N-O 3.07Å; F304-N306 WeakPolarHBondContact CE2-O 3.21Å; F304-N306 VanDerWaalsContact CZ-C 3.43Å
307	T	97.1	Very high	94.4	Very high	39 Å²	39	64.2 Å²	64.2	24%	0.239	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.8	177.1	-59.2	0	0	0	0	110	I290 R291 F304 V309	I290-T307 CarbonylContact O-C 3.59Å; I290-T307 WeakPolarHBondContact O-CA 3.5Å; R291-T307 HydrophobicContact CG-CG2 4.01Å; F304-T307 WeakPolarHBondContact CE2-OG1 3.49Å; F304-T307 WeakPolarHBondContact CZ-OG1 3.35Å; T307-V309 HydrophobicContact CG2-CG2 3.81Å
308	F	97.7	Very high	94.8	Very high	24 Å²	24	57.5 Å²	57.5	11%	0.105	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	131.5	163.3	171.5	-97	0	0	0	108.7	G15 A17 S289 I290 Y292 I346	G15-F308 VanDerWaalsContact O-CD2 3.31Å; G15-F308 WeakPolarHBondContact O-CD2 3.43Å; A17-F308 HydrophobicContact CB-CZ 4.44Å; S289-F308 CarbonylContact C-O 3.54Å; S289-F308 WeakPolarHBondContact CA-O 3.46Å; S289-F308 VanDerWaalsContact CB-O 3.29Å; S289-F308 WeakPolarHBondContact CB-O 3.37Å; I290-F308 HydrophobicContact CB-CB 4.38Å; I290-F308 HydrophobicContact CD1-CD1 4.3Å; I290-F308 HydrophobicContact CG1-CD1 4.34Å; I290-F308 PolarHBondContact N-O 2.92Å; I290-F308 PolarHBondContact O-N 2.85Å; Y292-F308 HydrophobicContact CE1-CB 4.3Å; F308-I346 HydrophobicContact CD1-CD1 4.18Å; F308-I346 HydrophobicContact CD1-CG2 4.28Å; F308-I346 HydrophobicContact CD2-CG2 4.23Å; F308-I346 HydrophobicContact CE1-CD1 3.53Å; F308-I346 HydrophobicContact CE1-CG1 4.13Å; F308-I346 HydrophobicContact CE1-CG2 4.1Å; F308-I346 HydrophobicContact CE2-CG2 4.02Å; F308-I346 HydrophobicContact CG-CG2 4.35Å; F308-I346 HydrophobicContact CZ-CD1 4.05Å; F308-I346 HydrophobicContact CZ-CG1 4.15Å; F308-I346 HydrophobicContact CZ-CG2 3.95Å
309	V	96.4	Very high	95.3	Very high	103 Å²	103	53.6 Å²	53.6	62%	0.624	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.7	-178.1	-176.8	0	0	0	0	109.8	T307	T307-V309 HydrophobicContact CG2-CG2 3.81Å
310	S	94.3	Very high	95.8	Very high	25 Å²	25	50.1 Å²	50.1	18%	0.175	25%	0.25	C	C	.	.			trans	-128.7	172.4	174	65.1	0	0	0	0	110.4	S288 E312 K337	S288-S310 VanDerWaalsContact CB-O 3.22Å; S288-S310 WeakPolarHBondContact CB-O 3.49Å; S288-S310 PolarHBondContact O-N 3.49Å; S288-S310 PolarHBondContact O-OG 2.89Å; S288-S310 PolarHBondContact OG-O 3.22Å; S288-S310 VanDerWaalsContact OG-O 3.13Å; S310-E312 PolarHBondContact OG-O 3.14Å; S310-K337 PolarHBondContact OG-NZ 3.13Å
311	K	91.8	Very high	96.1	Very high	207 Å²	207	48.9 Å²	48.9	90%	0.9	24%	0.242	S	C	*	.	S	Bend	trans	-85.8	-27.1	-178.9	-65.4	-177.2	-179.5	179	0	113.7
312	E	92.6	Very high	96.2	Very high	91 Å²	91	46.4 Å²	46.4	43%	0.425	23%	0.232	S	C	.	.	S	Bend	trans	-103.4	140.9	-170.5	-65.8	171.6	132	0	0	110.8	S288 S310 K337 H339 K342	S288-E312 WeakPolarHBondContact CB-O 3.43Å; S310-E312 PolarHBondContact OG-O 3.14Å; E312-K337 WeakPolarHBondContact O-CE 3.44Å; E312-K337 PolarHBondContact O-NZ 3.37Å; E312-H339 WeakPolarHBondContact CB-ND1 3.32Å; E312-H339 IonicContact OE2-CE1 3.42Å; E312-H339 PolarHBondContact OE2-CE1 2.95Å; E312-H339 VanDerWaalsContact OE2-CE1 3.29Å; E312-H339 IonicContact OE2-ND1 3.2Å; E312-H339 PolarHBondContact OE2-ND1 3.48Å; E312-K342 WeakPolarHBondContact OE2-CE 3.48Å; E312-K342 IonicContact OE2-NZ 2.79Å; E312-K342 PolarHBondContact OE2-NZ 2.92Å
313	P	95.5	Very high	96.2	Very high	77 Å²	77	47 Å²	47	50%	0.5	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-74.9	142.7	177.8	31.2	-34.9	0	0	0	111.6	G286 D287	G286-P313 VanDerWaalsContact O-CB 3.29Å; G286-P313 WeakPolarHBondContact O-CB 3.45Å; D287-P313 CarbonylContact O-C 3.48Å; D287-P313 WeakPolarHBondContact O-CA 3.36Å
314	Q	95.9	Very high	96.2	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.014	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-78.7	137.9	175	70.8	-170.3	56.5	0	0	112.1	C283 G284 G286 D287 M317 K337 L338	C283-Q314 PolarHBondContact SG-NE2 2.66Å; G284-Q314 WeakPolarHBondContact O-CG 3.11Å; G284-Q314 PolarHBondContact O-NE2 3.09Å; G286-Q314 PolarHBondContact N-O 3.03Å; D287-Q314 WeakPolarHBondContact O-CG 3.35Å; D287-Q314 PolarHBondContact O-N 3.29Å; Q314-M317 HydrophobicContact CB-CE 4.34Å; Q314-K337 HydrophobicContact CB-CD 4.29Å; Q314-K337 HydrophobicContact CB-CG 4.01Å; Q314-L338 CarbonylContact C-O 3.58Å; Q314-L338 WeakPolarHBondContact CA-O 3.36Å
315	R	96.4	Very high	96.2	Very high	76 Å²	76	41.7 Å²	41.7	29%	0.287	22%	0.215	S	C	.	.	S	Bend	trans	-93.1	-15.4	167	-70.5	-165.8	177.4	-115.4	0	113.2	V29 K285 L338 E340	V29-R315 HydrophobicContact CG1-CB 4.21Å; K285-R315 VanDerWaalsContact CD-O 3.26Å; K285-R315 WeakPolarHBondContact CD-O 3.37Å; K285-R315 WeakPolarHBondContact CE-O 3.39Å; R315-L338 PolarHBondContact N-O 2.84Å; R315-E340 IonicContact CZ-OE2 3.79Å; R315-E340 IonicContact NE-OE2 3.74Å; R315-E340 IonicContact NH2-OE1 3.31Å; R315-E340 IonicContact NH2-OE2 2.7Å; R315-E340 PolarHBondContact NH2-OE2 3.09Å
316	G	96.8	Very high	96.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	171.4	-176.4	0	0	0	0	0	110.3	S37 L338	S37-G316 CarbonylContact O-C 3.52Å; S37-G316 WeakPolarHBondContact O-CA 3.5Å; G316-L338 PolarHBondContact O-N 2.79Å
317	M	98.1	Very high	96	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	113.9	-173	-170.2	66.5	68.7	0	0	111.5	S37 F272 C283 I290 Q314 F335 K337	S37-M317 WeakPolarHBondContact CB-O 3.17Å; S37-M317 PolarHBondContact O-N 2.59Å; F272-M317 HydrophobicContact CE2-CB 4.38Å; F272-M317 HydrophobicContact CE2-CG 4.23Å; F272-M317 HydrophobicContact CZ-CB 4.28Å; F272-M317 HydrophobicContact CZ-CG 4.32Å; C283-M317 HydrophobicContact CB-CE 4.5Å; I290-M317 HydrophobicContact CD1-CE 3.8Å; I290-M317 HydrophobicContact CD1-SD 4.3Å; I290-M317 HydrophobicContact CG1-CE 4.09Å; Q314-M317 HydrophobicContact CB-CE 4.34Å; M317-F335 HydrophobicContact CG-CD1 3.63Å; M317-F335 HydrophobicContact CG-CE1 4.33Å; M317-F335 HydrophobicContact SD-CB 3.72Å; M317-F335 HydrophobicContact SD-CD1 3.76Å; M317-F335 HydrophobicContact SD-CG 4.13Å; M317-K337 HydrophobicContact CE-CB 3.83Å; M317-K337 HydrophobicContact CE-CD 4.27Å; M317-K337 HydrophobicContact CE-CG 3.89Å; M317-K337 VanDerWaalsContact SD-CA 3.58Å; M317-K337 HydrophobicContact SD-CB 3.86Å
318	G	98.1	Very high	95.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	154.5	169.1	0	0	0	0	0	111.1	C39 F335 Y336	C39-G318 WeakPolarHBondContact O-CA 3.11Å; G318-F335 CarbonylContact O-C 3.49Å; G318-F335 WeakPolarHBondContact O-CA 3.38Å; G318-Y336 PolarHBondContact N-O 2.83Å; G318-Y336 PolarHBondContact O-N 3.1Å
319	Y	98.4	Very high	95.5	Very high	48 Å²	48	50.8 Å²	50.8	19%	0.188	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.4	175.8	-179	-100.9	0	0	0	109.2	F272 Y281 P321 A333 F335	F272-Y319 HydrophobicContact CB-CD2 4.18Å; F272-Y319 HydrophobicContact CB-CE2 4.45Å; F272-Y319 HydrophobicContact CB-CG 4.47Å; F272-Y319 VanDerWaalsContact CD1-CB 3.5Å; F272-Y319 HydrophobicContact CD1-CD2 4.29Å; F272-Y319 AromaticContact CD1-CG 3.9Å; F272-Y319 HydrophobicContact CD1-CG 3.9Å; F272-Y319 HydrophobicContact CG-CD2 4.45Å; F272-Y319 HydrophobicContact CG-CG 4.49Å; Y281-Y319 HydrophobicContact CD2-CE2 4.45Å; Y319-P321 WeakPolarHBondContact O-CD 3.08Å; Y319-A333 HydrophobicContact CE2-CB 3.72Å; Y319-F335 HydrophobicContact CD2-CD1 4.11Å; Y319-F335 AromaticContact CD2-CE1 3.52Å; Y319-F335 HydrophobicContact CD2-CE1 3.52Å; Y319-F335 HydrophobicContact CD2-CE2 4.26Å; Y319-F335 AromaticContact CD2-CZ 3.57Å; Y319-F335 HydrophobicContact CD2-CZ 3.57Å; Y319-F335 HydrophobicContact CE2-CE1 4.22Å; Y319-F335 HydrophobicContact CE2-CE2 4.3Å; Y319-F335 AromaticContact CE2-CZ 3.79Å; Y319-F335 HydrophobicContact CE2-CZ 3.79Å; Y319-F335 HydrophobicContact CG-CE1 4.49Å
320	M	98.3	Very high	95.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.229	C	C	.	.			trans	-81.8	124.3	-178	178.3	56.4	76	0	0	111.3	V41 N42 L63 L325 R334 Y336	V41-M320 HydrophobicContact CB-CE 4.45Å; V41-M320 HydrophobicContact CG1-CE 3.45Å; V41-M320 VanDerWaalsContact CG1-CE 3.45Å; V41-M320 HydrophobicContact CG1-SD 4.36Å; N42-M320 WeakPolarHBondContact O-CE 3.43Å; L63-M320 HydrophobicContact CD1-CE 3.63Å; L63-M320 HydrophobicContact CD2-CE 4.2Å; M320-L325 HydrophobicContact CB-CD2 4.04Å; M320-L325 HydrophobicContact CG-CD2 3.75Å; M320-R334 HydrophobicContact CB-CB 3.71Å; M320-R334 WeakPolarHBondContact CB-O 3.36Å; M320-R334 HydrophobicContact CG-CB 4.31Å; M320-R334 PolarHBondContact N-O 3.23Å; M320-Y336 HydrophobicContact CB-CE2 4.22Å; M320-Y336 HydrophobicContact CE-CE2 3.79Å; M320-Y336 WeakPolarHBondContact CE-OH 2.89Å
321	P	97.4	Very high	95.6	Very high	47 Å²	47	45.2 Å²	45.2	31%	0.305	22%	0.222	S	C	.	.			trans	-57	148.6	169.2	-25.6	34.8	0	0	0	112.2	V41 Y319 R323 G324	V41-P321 WeakPolarHBondContact O-CD 3.1Å; Y319-P321 WeakPolarHBondContact O-CD 3.08Å; P321-R323 PolarHBondContact O-N 2.87Å; P321-G324 PolarHBondContact O-N 3.19Å
322	K	96.2	Very high	95.8	Very high	17 Å²	17	35.4 Å²	35.4	7%	0.074	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-47	-37.8	-177	-71.9	-76	-178.6	-174.6	0	114.9	D274 D276 G324 L325 I332 T365 L390	D274-K322 WeakPolarHBondContact OD1-CE 3.42Å; D274-K322 IonicContact OD1-NZ 2.62Å; D274-K322 PolarHBondContact OD1-NZ 3.47Å; D274-K322 VanDerWaalsContact OD1-NZ 3.09Å; D274-K322 WeakPolarHBondContact OD2-CE 3.44Å; D274-K322 IonicContact OD2-NZ 3.41Å; D274-K322 PolarHBondContact OD2-NZ 2.9Å; D276-K322 WeakPolarHBondContact OD2-CD 2.87Å; D276-K322 WeakPolarHBondContact OD2-CE 3.45Å; D276-K322 WeakPolarHBondContact OD2-CG 3.4Å; K322-G324 PolarHBondContact O-N 2.88Å; K322-G324 VanDerWaalsContact O-N 3.14Å; K322-L325 HydrophobicContact CD-CD1 3.88Å; K322-L325 PolarHBondContact O-N 3.33Å; K322-I332 PolarHBondContact NZ-O 3.26Å; K322-T365 HydrophobicContact CB-CG2 3.92Å; K322-L390 HydrophobicContact CB-CD1 4.2Å
323	R	95.8	Very high	96.1	Very high	17 Å²	17	31 Å²	31	6%	0.064	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-59.8	-19.3	177.9	-61.2	-171.2	-72.2	105.5	-4.9	114.6	P43 P90 D93 P321 I388 Y394	P43-R323 HydrophobicContact CG-CB 3.73Å; P90-R323 PolarHBondContact O-NH2 2.92Å; P90-R323 VanDerWaalsContact O-NH2 3.12Å; D93-R323 VanDerWaalsContact CG-NH1 3.3Å; D93-R323 IonicContact OD1-CZ 2.74Å; D93-R323 VanDerWaalsContact OD1-CZ 3.3Å; D93-R323 IonicContact OD1-NH1 2.88Å; D93-R323 PolarHBondContact OD1-NH1 2.89Å; D93-R323 IonicContact OD1-NH2 3.72Å; D93-R323 PolarHBondContact OD1-NH2 3.29Å; D93-R323 IonicContact OD2-CZ 2.82Å; D93-R323 IonicContact OD2-NH1 3.88Å; D93-R323 PolarHBondContact OD2-NH1 3.38Å; P321-R323 PolarHBondContact O-N 2.87Å; R323-I388 HydrophobicContact CG-CD1 4.18Å; R323-Y394 HydrophobicContact CB-CD2 4.24Å; R323-Y394 WeakPolarHBondContact O-CD2 3.42Å
324	G	95.8	Very high	96.2	Very high	13 Å²	13	29.2 Å²	29.2	13%	0.134	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-106.6	8.1	-178	0	0	0	0	0	115.4	P321 K322 R334	P321-G324 PolarHBondContact O-N 3.19Å; K322-G324 PolarHBondContact O-N 2.88Å; K322-G324 VanDerWaalsContact O-N 3.14Å; G324-R334 PolarHBondContact O-NH1 3.07Å; G324-R334 VanDerWaalsContact O-NH1 3.07Å; G324-R334 PolarHBondContact O-NH2 2.89Å
325	L	96.3	Very high	96.4	Very high	17 Å²	17	29 Å²	29	9%	0.089	14%	0.141	C	C	.	.	S	Bend	trans	-86	151	178.8	-55.3	-179.7	0	0	0	112.3	M320 K322 V327 E331 I332 R334	M320-L325 HydrophobicContact CB-CD2 4.04Å; M320-L325 HydrophobicContact CG-CD2 3.75Å; K322-L325 HydrophobicContact CD-CD1 3.88Å; K322-L325 PolarHBondContact O-N 3.33Å; L325-V327 PolarHBondContact O-N 2.85Å; L325-E331 HydrophobicContact CB-CG 4.4Å; L325-E331 HydrophobicContact CD2-CG 4.17Å; L325-I332 VanDerWaalsContact CD1-C 3.43Å; L325-I332 WeakPolarHBondContact CD1-O 3.42Å; L325-R334 HydrophobicContact CD2-CB 3.96Å
326	D	94.2	Very high	96.5	Very high	44 Å²	44	25.7 Å²	25.7	24%	0.235	13%	0.129	C	C	.	.			trans	-87.5	84.8	174.7	-168.4	-16.4	0	0	0	110.8	N328 K329 E331	D326-N328 PolarHBondContact O-N 2.9Å; D326-N328 WeakPolarHBondContact OD1-CB 3.25Å; D326-N328 PolarHBondContact OD1-N 2.8Å; D326-K329 HydrophobicContact CB-CB 4.4Å; D326-K329 PolarHBondContact O-N 3.47Å; D326-K329 PolarHBondContact OD1-N 2.88Å; D326-K329 WeakPolarHBondContact OD2-CD 3.33Å; D326-K329 WeakPolarHBondContact OD2-CG 3.34Å; D326-K329 IonicContact OD2-NZ 3.51Å; D326-K329 PolarHBondContact OD2-NZ 2.92Å; D326-E331 PolarHBondContact N-OE2 3.03Å; D326-E331 PolarHBondContact O-N 2.87Å
327	V	93.5	Very high	96.5	Very high	10 Å²	10	25.8 Å²	25.8	6%	0.061	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-56.7	-29	179.7	-63.3	0	0	0	0	113.6	L325 K329 C330 F357 Y362 L390	L325-V327 PolarHBondContact O-N 2.85Å; V327-K329 VanDerWaalsContact C-N 3.25Å; V327-K329 PolarHBondContact O-N 2.85Å; V327-C330 PolarHBondContact O-N 3.03Å; V327-F357 HydrophobicContact CB-CD2 4.41Å; V327-F357 HydrophobicContact CB-CE2 4.08Å; V327-F357 HydrophobicContact CG1-CE2 4.35Å; V327-F357 HydrophobicContact CG2-CD2 4.35Å; V327-F357 HydrophobicContact CG2-CE2 4.21Å; V327-Y362 HydrophobicContact CB-CD2 4.23Å; V327-Y362 HydrophobicContact CB-CE1 4.45Å; V327-Y362 HydrophobicContact CB-CE2 3.9Å; V327-Y362 HydrophobicContact CG1-CD1 3.98Å; V327-Y362 HydrophobicContact CG1-CD2 4.24Å; V327-Y362 HydrophobicContact CG1-CE1 3.85Å; V327-Y362 HydrophobicContact CG1-CE2 4.13Å; V327-Y362 HydrophobicContact CG1-CG 4.17Å; V327-L390 HydrophobicContact CG1-CB 3.94Å; V327-L390 HydrophobicContact CG1-CD1 4.3Å
328	N	91.8	Very high	96.5	Very high	129 Å²	129	25.8 Å²	25.8	69%	0.69	13%	0.129	S	C	*	.	G	3₁₀ helix	trans	-70.9	-23.8	179.4	-59.1	-45.3	0	0	0	112	D326	D326-N328 PolarHBondContact O-N 2.9Å; D326-N328 WeakPolarHBondContact OD1-CB 3.25Å; D326-N328 PolarHBondContact OD1-N 2.8Å
329	K	92.8	Very high	96.4	Very high	141 Å²	141	26 Å²	26	61%	0.613	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-96	9.4	175.8	-64.7	-166.9	-176	89	0	113.6	D326 V327 E331 T349	D326-K329 HydrophobicContact CB-CB 4.4Å; D326-K329 PolarHBondContact O-N 3.47Å; D326-K329 PolarHBondContact OD1-N 2.88Å; D326-K329 WeakPolarHBondContact OD2-CD 3.33Å; D326-K329 WeakPolarHBondContact OD2-CG 3.34Å; D326-K329 IonicContact OD2-NZ 3.51Å; D326-K329 PolarHBondContact OD2-NZ 2.92Å; V327-K329 VanDerWaalsContact C-N 3.25Å; V327-K329 PolarHBondContact O-N 2.85Å; K329-E331 PolarHBondContact O-N 3.33Å; K329-T349 WeakPolarHBondContact O-CG2 3.22Å
330	C	95.1	Very high	96.2	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.054	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	33.4	-174.2	-61.2	0	0	0	0	113.2	V327 T349 V350 L361 Y362	V327-C330 PolarHBondContact O-N 3.03Å; C330-T349 WeakPolarHBondContact O-CA 3.23Å; C330-V350 WeakPolarHBondContact CB-O 3.29Å; C330-V350 PolarHBondContact O-N 2.96Å; C330-L361 HydrophobicContact CB-CD1 4.35Å; C330-Y362 WeakPolarHBondContact CA-OH 3.32Å
331	E	96.3	Very high	96	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.5	171	178.4	179.1	-139.7	0	0	110.3	L325 D326 K329 R334 V347 M348 Y362	L325-E331 HydrophobicContact CB-CG 4.4Å; L325-E331 HydrophobicContact CD2-CG 4.17Å; D326-E331 PolarHBondContact N-OE2 3.03Å; D326-E331 PolarHBondContact O-N 2.87Å; K329-E331 PolarHBondContact O-N 3.33Å; E331-R334 VanDerWaalsContact OE1-CB 3.25Å; E331-R334 WeakPolarHBondContact OE1-CB 3.48Å; E331-R334 VanDerWaalsContact OE1-CG 3.27Å; E331-R334 WeakPolarHBondContact OE1-CG 3.2Å; E331-R334 IonicContact OE1-CZ 3.91Å; E331-R334 IonicContact OE1-NE 2.85Å; E331-R334 PolarHBondContact OE1-NE 2.84Å; E331-R334 IonicContact OE1-NH2 3.3Å; E331-R334 IonicContact OE2-CZ 2.83Å; E331-R334 IonicContact OE2-NE 3.32Å; E331-R334 PolarHBondContact OE2-NE 2.8Å; E331-R334 IonicContact OE2-NH2 3.68Å; E331-R334 PolarHBondContact OE2-NH2 2.98Å; E331-V347 HydrophobicContact CB-CG1 4.21Å; E331-V347 HydrophobicContact CG-CG1 3.86Å; E331-V347 WeakPolarHBondContact OE1-CG1 3.22Å; E331-M348 WeakPolarHBondContact CA-O 3.18Å; E331-Y362 VanDerWaalsContact C-OH 3.23Å; E331-Y362 PolarHBondContact N-OH 2.84Å; E331-Y362 VanDerWaalsContact N-OH 3.07Å; E331-Y362 WeakPolarHBondContact O-CE1 3.21Å; E331-Y362 PolarHBondContact O-OH 3.41Å
332	I	97.1	Very high	95.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-18.5	-178.2	55.6	160.3	0	0	0	113.6	F10 I13 Y281 K322 L325 M348 V350 Y362	F10-I332 HydrophobicContact CD1-CD1 4.45Å; I13-I332 HydrophobicContact CD1-CD1 3.34Å; I13-I332 HydrophobicContact CG1-CD1 3.68Å; I13-I332 HydrophobicContact CG2-CD1 4.44Å; Y281-I332 VanDerWaalsContact OH-CD1 3.31Å; Y281-I332 WeakPolarHBondContact OH-CD1 3.37Å; K322-I332 PolarHBondContact NZ-O 3.26Å; L325-I332 VanDerWaalsContact CD1-C 3.43Å; L325-I332 WeakPolarHBondContact CD1-O 3.42Å; I332-M348 HydrophobicContact CG1-CB 4.39Å; I332-M348 WeakPolarHBondContact CG1-O 3.44Å; I332-M348 PolarHBondContact N-O 3.23Å; I332-V350 HydrophobicContact CD1-CG2 3.82Å; I332-V350 HydrophobicContact CG1-CG2 4.13Å; I332-V350 HydrophobicContact CG2-CG2 3.69Å; I332-Y362 HydrophobicContact CG2-CE1 4.47Å
333	A	98.3	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	149	173.4	0	0	0	0	0	110.4	Y281 Y319 F335 M348	Y281-A333 HydrophobicContact CE2-CB 4.04Å; Y319-A333 HydrophobicContact CE2-CB 3.72Å; A333-F335 HydrophobicContact CB-CE2 4.25Å; A333-M348 HydrophobicContact CB-CB 4.1Å; A333-M348 HydrophobicContact CB-CG 4.16Å; A333-M348 WeakPolarHBondContact O-CB 3.41Å; A333-M348 PolarHBondContact O-N 3.35Å
334	R	98.5	Very high	96.1	Very high	38 Å²	38	33.9 Å²	33.9	14%	0.143	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.6	169.8	-157.9	-176.5	-58.3	135.3	5.8	109.9	M320 G324 L325 E331 Y336 I346 V347	M320-R334 HydrophobicContact CB-CB 3.71Å; M320-R334 WeakPolarHBondContact CB-O 3.36Å; M320-R334 HydrophobicContact CG-CB 4.31Å; M320-R334 PolarHBondContact N-O 3.23Å; G324-R334 PolarHBondContact O-NH1 3.07Å; G324-R334 VanDerWaalsContact O-NH1 3.07Å; G324-R334 PolarHBondContact O-NH2 2.89Å; L325-R334 HydrophobicContact CD2-CB 3.96Å; E331-R334 VanDerWaalsContact OE1-CB 3.25Å; E331-R334 WeakPolarHBondContact OE1-CB 3.48Å; E331-R334 VanDerWaalsContact OE1-CG 3.27Å; E331-R334 WeakPolarHBondContact OE1-CG 3.2Å; E331-R334 IonicContact OE1-CZ 3.91Å; E331-R334 IonicContact OE1-NE 2.85Å; E331-R334 PolarHBondContact OE1-NE 2.84Å; E331-R334 IonicContact OE1-NH2 3.3Å; E331-R334 IonicContact OE2-CZ 2.83Å; E331-R334 IonicContact OE2-NE 3.32Å; E331-R334 PolarHBondContact OE2-NE 2.8Å; E331-R334 IonicContact OE2-NH2 3.68Å; E331-R334 PolarHBondContact OE2-NH2 2.98Å; R334-Y336 HydrophobicContact CB-CE2 4.27Å; R334-Y336 HydrophobicContact CG-CE2 3.91Å; R334-Y336 PolarHBondContact NH1-OH 2.67Å; R334-I346 WeakPolarHBondContact CA-O 3.42Å; R334-V347 HydrophobicContact CG-CG2 4.36Å
335	F	98.6	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	147.5	174.6	-74.7	-80.1	0	0	0	110.5	F272 Y281 I290 M317 G318 Y319 A333 P345 I346 M348	F272-F335 HydrophobicContact CB-CE1 4.22Å; F272-F335 HydrophobicContact CB-CZ 4.39Å; F272-F335 HydrophobicContact CD2-CE1 4.05Å; F272-F335 HydrophobicContact CG-CE1 4.06Å; Y281-F335 VanDerWaalsContact CB-CZ 3.44Å; Y281-F335 AromaticContact CD1-CE2 3.61Å; Y281-F335 HydrophobicContact CD1-CE2 3.61Å; Y281-F335 AromaticContact CD1-CZ 3.84Å; Y281-F335 HydrophobicContact CD1-CZ 3.84Å; Y281-F335 HydrophobicContact CD2-CE2 4.17Å; Y281-F335 AromaticContact CD2-CZ 3.81Å; Y281-F335 HydrophobicContact CD2-CZ 3.81Å; Y281-F335 HydrophobicContact CE1-CE2 4.04Å; Y281-F335 AromaticContact CG-CE2 3.71Å; Y281-F335 HydrophobicContact CG-CE2 3.71Å; Y281-F335 AromaticContact CG-CZ 3.42Å; Y281-F335 HydrophobicContact CG-CZ 3.42Å; Y281-F335 VanDerWaalsContact CG-CZ 3.42Å; I290-F335 HydrophobicContact CD1-CB 4.16Å; I290-F335 HydrophobicContact CD1-CD1 4.35Å; I290-F335 HydrophobicContact CD1-CD2 4.1Å; I290-F335 HydrophobicContact CD1-CG 3.92Å; M317-F335 HydrophobicContact CG-CD1 3.63Å; M317-F335 HydrophobicContact CG-CE1 4.33Å; M317-F335 HydrophobicContact SD-CB 3.72Å; M317-F335 HydrophobicContact SD-CD1 3.76Å; M317-F335 HydrophobicContact SD-CG 4.13Å; G318-F335 CarbonylContact O-C 3.49Å; G318-F335 WeakPolarHBondContact O-CA 3.38Å; Y319-F335 HydrophobicContact CD2-CD1 4.11Å; Y319-F335 AromaticContact CD2-CE1 3.52Å; Y319-F335 HydrophobicContact CD2-CE1 3.52Å; Y319-F335 HydrophobicContact CD2-CE2 4.26Å; Y319-F335 AromaticContact CD2-CZ 3.57Å; Y319-F335 HydrophobicContact CD2-CZ 3.57Å; Y319-F335 HydrophobicContact CE2-CE1 4.22Å; Y319-F335 HydrophobicContact CE2-CE2 4.3Å; Y319-F335 AromaticContact CE2-CZ 3.79Å; Y319-F335 HydrophobicContact CE2-CZ 3.79Å; Y319-F335 HydrophobicContact CG-CE1 4.49Å; A333-F335 HydrophobicContact CB-CE2 4.25Å; F335-P345 CarbonylContact O-C 3.58Å; F335-P345 VanDerWaalsContact O-CA 3.24Å; F335-P345 WeakPolarHBondContact O-CA 3.13Å; F335-I346 HydrophobicContact CB-CB 4.22Å; F335-I346 PolarHBondContact N-O 2.96Å; F335-I346 PolarHBondContact O-N 2.88Å; F335-M348 HydrophobicContact CD2-CG 3.79Å; F335-M348 HydrophobicContact CD2-SD 4.28Å; F335-M348 HydrophobicContact CE2-CG 3.85Å
336	Y	98.4	Very high	96.3	Very high	6 Å²	6	32.8 Å²	32.8	2%	0.024	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	82.9	176.3	-77.6	-110.8	0	0	0	107.8	Y24 V41 V46 L63 G318 M320 R334 L338 P345	Y24-Y336 HydrophobicContact CE2-CD1 4.17Å; Y24-Y336 AromaticContact CE2-CE1 3.93Å; Y24-Y336 HydrophobicContact CE2-CE1 3.93Å; V41-Y336 HydrophobicContact CB-CD2 4.35Å; V41-Y336 HydrophobicContact CG1-CD1 4.35Å; V41-Y336 HydrophobicContact CG1-CD2 4.06Å; V41-Y336 HydrophobicContact CG1-CE1 4.11Å; V41-Y336 HydrophobicContact CG1-CE2 3.84Å; V41-Y336 HydrophobicContact CG1-CG 4.33Å; V41-Y336 HydrophobicContact CG2-CD1 4.27Å; V41-Y336 HydrophobicContact CG2-CD2 3.82Å; V41-Y336 HydrophobicContact CG2-CE2 4.44Å; V41-Y336 HydrophobicContact CG2-CG 3.74Å; V46-Y336 HydrophobicContact CB-CD1 4.32Å; V46-Y336 HydrophobicContact CB-CE1 4.34Å; V46-Y336 HydrophobicContact CG2-CD1 3.93Å; V46-Y336 HydrophobicContact CG2-CE1 4.45Å; L63-Y336 HydrophobicContact CD2-CE1 4.14Å; G318-Y336 PolarHBondContact N-O 2.83Å; G318-Y336 PolarHBondContact O-N 3.1Å; M320-Y336 HydrophobicContact CB-CE2 4.22Å; M320-Y336 HydrophobicContact CE-CE2 3.79Å; M320-Y336 WeakPolarHBondContact CE-OH 2.89Å; R334-Y336 HydrophobicContact CB-CE2 4.27Å; R334-Y336 HydrophobicContact CG-CE2 3.91Å; R334-Y336 PolarHBondContact NH1-OH 2.67Å; Y336-L338 PolarHBondContact O-N 2.91Å; Y336-P345 HydrophobicContact CD1-CG 4.18Å; Y336-P345 HydrophobicContact CE1-CG 4.04Å
337	K	98.3	Very high	96.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	119.4	-173.2	176.6	171.8	171.8	153.9	0	110.2	S310 E312 Q314 M317 H339 C343 E344 I346	S310-K337 PolarHBondContact OG-NZ 3.13Å; E312-K337 WeakPolarHBondContact O-CE 3.44Å; E312-K337 PolarHBondContact O-NZ 3.37Å; Q314-K337 HydrophobicContact CB-CD 4.29Å; Q314-K337 HydrophobicContact CB-CG 4.01Å; M317-K337 HydrophobicContact CE-CB 3.83Å; M317-K337 HydrophobicContact CE-CD 4.27Å; M317-K337 HydrophobicContact CE-CG 3.89Å; M317-K337 VanDerWaalsContact SD-CA 3.58Å; M317-K337 HydrophobicContact SD-CB 3.86Å; K337-H339 VanDerWaalsContact CE-CE1 3.46Å; K337-H339 WeakPolarHBondContact CE-CE1 3.47Å; K337-H339 PolarHBondContact O-CD2 3.41Å; K337-C343 WeakPolarHBondContact O-CA 3.36Å; K337-E344 WeakPolarHBondContact CB-O 3.22Å; K337-E344 PolarHBondContact N-O 2.98Å; K337-E344 PolarHBondContact O-N 3.41Å; K337-I346 HydrophobicContact CB-CD1 3.74Å; K337-I346 HydrophobicContact CD-CD1 3.91Å; K337-I346 HydrophobicContact CG-CD1 4.46Å
338	L	98.1	Very high	96.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.6	171.3	-58.2	-171.4	0	0	0	110	V29 F38 C39 I48 Q314 R315 G316 Y336 C343	V29-L338 HydrophobicContact CG1-CB 4.23Å; V29-L338 HydrophobicContact CG1-CD1 3.82Å; V29-L338 HydrophobicContact CG2-CB 4.25Å; V29-L338 HydrophobicContact CG2-CD1 4.31Å; V29-L338 HydrophobicContact CG2-CD2 4.4Å; F38-L338 HydrophobicContact CB-CD1 3.92Å; F38-L338 WeakPolarHBondContact O-CD1 3.17Å; C39-L338 HydrophobicContact CB-CD1 3.77Å; C39-L338 HydrophobicContact CB-CD2 4.26Å; C39-L338 HydrophobicContact CB-CG 3.91Å; I48-L338 HydrophobicContact CD1-CD2 3.9Å; I48-L338 HydrophobicContact CG1-CD2 3.99Å; I48-L338 HydrophobicContact CG2-CD1 3.9Å; I48-L338 HydrophobicContact CG2-CD2 4.03Å; Q314-L338 CarbonylContact C-O 3.58Å; Q314-L338 WeakPolarHBondContact CA-O 3.36Å; R315-L338 PolarHBondContact N-O 2.84Å; G316-L338 PolarHBondContact O-N 2.79Å; Y336-L338 PolarHBondContact O-N 2.91Å; L338-C343 HydrophobicContact CD2-CB 3.73Å
339	H	96.1	Very high	97	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.028	12%	0.117	C	C	.	.			trans	-106.3	-160.2	167.8	-61	-108.3	0	0	0	108.4	V29 E312 K337 K342 E344	V29-H339 WeakPolarHBondContact CG2-O 3.46Å; E312-H339 WeakPolarHBondContact CB-ND1 3.32Å; E312-H339 IonicContact OE2-CE1 3.42Å; E312-H339 PolarHBondContact OE2-CE1 2.95Å; E312-H339 VanDerWaalsContact OE2-CE1 3.29Å; E312-H339 IonicContact OE2-ND1 3.2Å; E312-H339 PolarHBondContact OE2-ND1 3.48Å; K337-H339 VanDerWaalsContact CE-CE1 3.46Å; K337-H339 WeakPolarHBondContact CE-CE1 3.47Å; K337-H339 PolarHBondContact O-CD2 3.41Å; H339-K342 HydrophobicContact CB-CG 3.68Å; H339-K342 VanDerWaalsContact CD2-CE 3.48Å; H339-K342 WeakPolarHBondContact CD2-CE 3.31Å; H339-K342 VanDerWaalsContact CG-CE 3.48Å; H339-K342 PolarHBondContact N-O 3.45Å; H339-E344 IonicContact CE1-OE2 3.29Å; H339-E344 PolarHBondContact CE1-OE2 2.7Å; H339-E344 VanDerWaalsContact CE1-OE2 3.31Å; H339-E344 WeakPolarHBondContact NE2-CB 3.44Å; H339-E344 VanDerWaalsContact NE2-CD 3.33Å; H339-E344 IonicContact NE2-OE1 3.09Å; H339-E344 IonicContact NE2-OE2 2.66Å; H339-E344 PolarHBondContact NE2-OE2 2.73Å
340	E	93.6	Very high	97.2	Very high	81 Å²	81	19.8 Å²	19.8	38%	0.379	9%	0.088	S	C	.	.	S	Bend	trans	-73.6	-40.5	176.1	-173.7	163.8	160.6	0	0	114.2	R31 R315	R31-E340 IonicContact CZ-OE1 2.72Å; R31-E340 IonicContact NH2-OE1 2.7Å; R31-E340 PolarHBondContact NH2-OE1 3.33Å; R315-E340 IonicContact CZ-OE2 3.79Å; R315-E340 IonicContact NE-OE2 3.74Å; R315-E340 IonicContact NH2-OE1 3.31Å; R315-E340 IonicContact NH2-OE2 2.7Å; R315-E340 PolarHBondContact NH2-OE2 3.09Å
341	R	94.9	Very high	97.2	Very high	158 Å²	158	22.8 Å²	22.8	60%	0.596	11%	0.108	S	C	*	.	S	Bend	trans	-130.1	14.1	-177.3	-69.6	-149.7	-66.8	-116.6	1.8	115.7	D26 I27	D26-R341 PolarHBondContact N-O 3.38Å; I27-R341 PolarHBondContact N-O 3.46Å; I27-R341 CarbonylContact O-C 3.59Å; I27-R341 VanDerWaalsContact O-CA 3.25Å; I27-R341 WeakPolarHBondContact O-CA 3.27Å
342	K	95.3	Very high	96.9	Very high	31 Å²	31	26.6 Å²	26.6	14%	0.135	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	153.4	177.4	64	169.5	174.6	167.6	0	112.5	Y24 D25 E312 H339 E344	Y24-K342 CarbonylContact O-C 3.53Å; Y24-K342 WeakPolarHBondContact O-CA 3.25Å; D25-K342 VanDerWaalsContact OD1-CB 3.26Å; D25-K342 WeakPolarHBondContact OD1-CB 3.46Å; E312-K342 WeakPolarHBondContact OE2-CE 3.48Å; E312-K342 IonicContact OE2-NZ 2.79Å; E312-K342 PolarHBondContact OE2-NZ 2.92Å; H339-K342 HydrophobicContact CB-CG 3.68Å; H339-K342 VanDerWaalsContact CD2-CE 3.48Å; H339-K342 WeakPolarHBondContact CD2-CE 3.31Å; H339-K342 VanDerWaalsContact CG-CE 3.48Å; H339-K342 PolarHBondContact N-O 3.45Å; K342-E344 IonicContact NZ-OE1 3.41Å; K342-E344 PolarHBondContact NZ-OE1 2.76Å
343	C	97.8	Very high	96.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.2	160.6	180	0	0	0	0	108.6	C23 Y24 I48 K337 L338	C23-C343 WeakPolarHBondContact CA-O 3.2Å; Y24-C343 HydrophobicContact CD2-CB 3.98Å; Y24-C343 HydrophobicContact CG-CB 4.5Å; Y24-C343 PolarHBondContact N-O 2.7Å; Y24-C343 PolarHBondContact O-N 3.22Å; I48-C343 HydrophobicContact CD1-CB 3.68Å; K337-C343 WeakPolarHBondContact O-CA 3.36Å; L338-C343 HydrophobicContact CD2-CB 3.73Å
344	E	97.6	Very high	95.8	Very high	23 Å²	23	39.2 Å²	39.2	11%	0.107	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	108.1	-172.7	179.5	176.8	-96.1	0	0	109.8	A17 K337 H339 K342	A17-E344 HydrophobicContact CB-CG 4.45Å; K337-E344 WeakPolarHBondContact CB-O 3.22Å; K337-E344 PolarHBondContact N-O 2.98Å; K337-E344 PolarHBondContact O-N 3.41Å; H339-E344 IonicContact CE1-OE2 3.29Å; H339-E344 PolarHBondContact CE1-OE2 2.7Å; H339-E344 VanDerWaalsContact CE1-OE2 3.31Å; H339-E344 WeakPolarHBondContact NE2-CB 3.44Å; H339-E344 VanDerWaalsContact NE2-CD 3.33Å; H339-E344 IonicContact NE2-OE1 3.09Å; H339-E344 IonicContact NE2-OE2 2.66Å; H339-E344 PolarHBondContact NE2-OE2 2.73Å; K342-E344 IonicContact NZ-OE1 3.41Å; K342-E344 PolarHBondContact NZ-OE1 2.76Å
345	P	98	Very high	95.1	Very high	7 Å²	7	45.7 Å²	45.7	5%	0.045	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	135.8	172.6	-23.9	33.3	0	0	0	112.6	V18 Y24 F335 Y336	V18-P345 HydrophobicContact CB-CB 4.45Å; V18-P345 HydrophobicContact CG1-CB 3.86Å; V18-P345 HydrophobicContact CG2-CB 3.73Å; V18-P345 HydrophobicContact CG2-CG 3.86Å; V18-P345 WeakPolarHBondContact CG2-O 3.45Å; V18-P345 PolarHBondContact N-O 3.29Å; Y24-P345 HydrophobicContact CE2-CG 4.04Å; F335-P345 CarbonylContact O-C 3.58Å; F335-P345 VanDerWaalsContact O-CA 3.24Å; F335-P345 WeakPolarHBondContact O-CA 3.13Å; Y336-P345 HydrophobicContact CD1-CG 4.18Å; Y336-P345 HydrophobicContact CE1-CG 4.04Å
346	I	98.3	Very high	94.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.1	174.5	-57.2	158.4	0	0	0	107.8	Q16 A17 I290 F308 R334 F335 K337 M348	Q16-I346 WeakPolarHBondContact O-CA 3.4Å; A17-I346 HydrophobicContact CB-CG1 4.45Å; I290-I346 HydrophobicContact CD1-CD1 4Å; F308-I346 HydrophobicContact CD1-CD1 4.18Å; F308-I346 HydrophobicContact CD1-CG2 4.28Å; F308-I346 HydrophobicContact CD2-CG2 4.23Å; F308-I346 HydrophobicContact CE1-CD1 3.53Å; F308-I346 HydrophobicContact CE1-CG1 4.13Å; F308-I346 HydrophobicContact CE1-CG2 4.1Å; F308-I346 HydrophobicContact CE2-CG2 4.02Å; F308-I346 HydrophobicContact CG-CG2 4.35Å; F308-I346 HydrophobicContact CZ-CD1 4.05Å; F308-I346 HydrophobicContact CZ-CG1 4.15Å; F308-I346 HydrophobicContact CZ-CG2 3.95Å; R334-I346 WeakPolarHBondContact CA-O 3.42Å; F335-I346 HydrophobicContact CB-CB 4.22Å; F335-I346 PolarHBondContact N-O 2.96Å; F335-I346 PolarHBondContact O-N 2.88Å; K337-I346 HydrophobicContact CB-CD1 3.74Å; K337-I346 HydrophobicContact CD-CD1 3.91Å; K337-I346 HydrophobicContact CG-CD1 4.46Å; I346-M348 HydrophobicContact CG2-SD 4.15Å
347	V	98.1	Very high	94.4	Very high	30 Å²	30	53.5 Å²	53.5	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.6	-178.7	175	0	0	0	0	108.9	G15 Q16 V18 E331 R334 T349	G15-V347 CarbonylContact C-O 3.45Å; G15-V347 WeakPolarHBondContact CA-O 3.48Å; Q16-V347 PolarHBondContact N-O 3.47Å; Q16-V347 PolarHBondContact O-N 3.17Å; V18-V347 HydrophobicContact CG1-CG2 3.97Å; E331-V347 HydrophobicContact CB-CG1 4.21Å; E331-V347 HydrophobicContact CG-CG1 3.86Å; E331-V347 WeakPolarHBondContact OE1-CG1 3.22Å; R334-V347 HydrophobicContact CG-CG2 4.36Å; V347-T349 WeakPolarHBondContact CG1-OG1 3.39Å
348	M	98.2	Very high	94.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.4	173.7	-54.2	-57	-67.2	0	0	109.4	I13 F14 G15 Y281 Y292 E331 I332 A333 F335 I346	I13-M348 HydrophobicContact CG2-CB 4.39Å; I13-M348 HydrophobicContact CG2-CE 3.85Å; F14-M348 WeakPolarHBondContact O-CA 3.36Å; G15-M348 WeakPolarHBondContact CA-SD 3.24Å; Y281-M348 HydrophobicContact CD1-CE 4.38Å; Y281-M348 HydrophobicContact CE1-CB 4.43Å; Y281-M348 HydrophobicContact CE1-CE 3.9Å; Y281-M348 HydrophobicContact CE1-CG 4.01Å; Y292-M348 HydrophobicContact CD1-CE 3.82Å; Y292-M348 HydrophobicContact CE1-CE 3.33Å; Y292-M348 HydrophobicContact CE2-CE 4.28Å; Y292-M348 HydrophobicContact CG-CE 4.49Å; E331-M348 WeakPolarHBondContact CA-O 3.18Å; I332-M348 HydrophobicContact CG1-CB 4.39Å; I332-M348 WeakPolarHBondContact CG1-O 3.44Å; I332-M348 PolarHBondContact N-O 3.23Å; A333-M348 HydrophobicContact CB-CB 4.1Å; A333-M348 HydrophobicContact CB-CG 4.16Å; A333-M348 WeakPolarHBondContact O-CB 3.41Å; A333-M348 PolarHBondContact O-N 3.35Å; F335-M348 HydrophobicContact CD2-CG 3.79Å; F335-M348 HydrophobicContact CD2-SD 4.28Å; F335-M348 HydrophobicContact CE2-CG 3.85Å; I346-M348 HydrophobicContact CG2-SD 4.15Å
349	T	97.5	Very high	93.8	Very high	19 Å²	19	59.1 Å²	59.1	12%	0.117	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.4	-172	-61.4	0	0	0	0	111.9	I13 F14 K329 C330 V347	I13-T349 WeakPolarHBondContact CA-O 3.34Å; F14-T349 HydrophobicContact CE1-CG2 4Å; F14-T349 HydrophobicContact CZ-CG2 4Å; F14-T349 PolarHBondContact N-O 2.63Å; F14-T349 PolarHBondContact O-N 3.07Å; K329-T349 WeakPolarHBondContact O-CG2 3.22Å; C330-T349 WeakPolarHBondContact O-CA 3.23Å; V347-T349 WeakPolarHBondContact CG1-OG1 3.39Å
350	V	96.9	Very high	93.6	Very high	3 Å²	3	62 Å²	62	2%	0.018	31%	0.305	C	S	.	.			trans	-90.6	117.4	162.7	179.8	0	0	0	0	108.3	F10 I13 C330 I332 R352 L361	F10-V350 HydrophobicContact CD1-CG2 4.06Å; F10-V350 HydrophobicContact CE1-CG2 4.38Å; I13-V350 HydrophobicContact CG1-CG2 3.87Å; C330-V350 WeakPolarHBondContact CB-O 3.29Å; C330-V350 PolarHBondContact O-N 2.96Å; I332-V350 HydrophobicContact CD1-CG2 3.82Å; I332-V350 HydrophobicContact CG1-CG2 4.13Å; I332-V350 HydrophobicContact CG2-CG2 3.69Å; V350-R352 HydrophobicContact CG1-CG 4.34Å; V350-R352 PolarHBondContact O-N 3.23Å; V350-L361 HydrophobicContact CB-CD1 3.89Å; V350-L361 HydrophobicContact CG1-CD1 3.97Å; V350-L361 HydrophobicContact CG1-CD2 4.19Å; V350-L361 HydrophobicContact CG2-CD1 4.33Å; V350-L361 HydrophobicContact CG2-CD2 4.32Å
351	P	94.6	Very high	93.6	Very high	71 Å²	71	58.3 Å²	58.3	46%	0.461	29%	0.287	S	S	.	.			trans	-71.8	94.6	-177	26.5	-32.8	0	0	0	111.8	H12 F14	H12-P351 HydrophobicContact CB-CG 3.81Å; H12-P351 WeakPolarHBondContact O-CD 3.16Å; H12-P351 WeakPolarHBondContact O-CG 3.42Å; F14-P351 HydrophobicContact CD1-CG 4.44Å; F14-P351 HydrophobicContact CE1-CB 4.08Å; F14-P351 HydrophobicContact CE1-CG 4.31Å
352	R	91.7	Very high	93.6	Very high	83 Å²	83	51 Å²	51	31%	0.313	26%	0.26	S	S	.	.			trans	-106.2	152.8	167	-64.6	-71.5	177.8	92.6	-0.5	110.2	V350 Q358 D360 L361	V350-R352 HydrophobicContact CG1-CG 4.34Å; V350-R352 PolarHBondContact O-N 3.23Å; R352-Q358 HydrophobicContact CG-CG 4.33Å; R352-D360 IonicContact CZ-OD1 3.87Å; R352-D360 IonicContact CZ-OD2 2.58Å; R352-D360 IonicContact NH1-OD1 2.64Å; R352-D360 PolarHBondContact NH1-OD1 2.91Å; R352-D360 IonicContact NH1-OD2 3.76Å; R352-D360 PolarHBondContact NH1-OD2 2.75Å; R352-D360 IonicContact NH2-OD1 3.37Å; R352-D360 IonicContact NH2-OD2 2.78Å; R352-D360 PolarHBondContact NH2-OD2 2.85Å; R352-L361 HydrophobicContact CG-CD1 4.13Å
353	K	85.1	Confident	93.6	Very high	223 Å²	223	52.1 Å²	52.1	97%	0.97	27%	0.27	S	S	*	.			trans	-115.5	69.2	174.4	-66.8	-174.5	179.4	-177	0	108.9
354	S	87	Confident	93.5	Very high	42 Å²	42	56.2 Å²	56.2	29%	0.294	29%	0.292	S	S	.	.			trans	-154.6	130.5	-175	170	0	0	0	0	109.5	L356 Q358	S354-L356 VanDerWaalsContact C-N 3.29Å; S354-L356 WeakPolarHBondContact OG-CB 3.34Å; S354-L356 PolarHBondContact OG-N 3.01Å; S354-L356 VanDerWaalsContact OG-N 3.12Å; S354-L356 PolarHBondContact OG-O 3.38Å; S354-Q358 PolarHBondContact OG-NE2 3.23Å; S354-Q358 VanDerWaalsContact OG-NE2 3.14Å
355	D	83	Confident	93.4	Very high	175 Å²	175	55.4 Å²	55.4	94%	0.936	29%	0.289	S	S	*	.	S	Bend	trans	-84.9	-7.3	171.5	-50.4	-56.6	0	0	0	112
356	L	90.5	Very high	93.3	Very high	135 Å²	135	57.4 Å²	57.4	71%	0.707	31%	0.306	S	S	*	.	S	Bend	trans	-76.3	141.1	172.4	-56	176.2	0	0	0	110.6	S354 Q358	S354-L356 VanDerWaalsContact C-N 3.29Å; S354-L356 WeakPolarHBondContact OG-CB 3.34Å; S354-L356 PolarHBondContact OG-N 3.01Å; S354-L356 VanDerWaalsContact OG-N 3.12Å; S354-L356 PolarHBondContact OG-O 3.38Å; L356-Q358 PolarHBondContact O-N 2.79Å; L356-Q358 PolarHBondContact O-NE2 3.4Å
357	F	91.6	Very high	93.1	Very high	35 Å²	35	57.9 Å²	57.9	15%	0.154	31%	0.311	C	S	.	.			trans	-52	135.4	170.2	-178.1	-103	0	0	0	111.1	V327 D359 Y362 K391	V327-F357 HydrophobicContact CB-CD2 4.41Å; V327-F357 HydrophobicContact CB-CE2 4.08Å; V327-F357 HydrophobicContact CG1-CE2 4.35Å; V327-F357 HydrophobicContact CG2-CD2 4.35Å; V327-F357 HydrophobicContact CG2-CE2 4.21Å; F357-D359 WeakPolarHBondContact CD1-OD1 3.25Å; F357-D359 HydrophobicContact CE1-CB 4.45Å; F357-D359 VanDerWaalsContact CE1-OD1 3.28Å; F357-D359 WeakPolarHBondContact CE1-OD1 3.08Å; F357-D359 PolarHBondContact O-N 3.45Å; F357-Y362 HydrophobicContact CD2-CD2 4.47Å; F357-Y362 AromaticContact CE2-CD2 3.87Å; F357-Y362 HydrophobicContact CE2-CD2 3.87Å; F357-Y362 HydrophobicContact CE2-CG 4.2Å; F357-Y362 HydrophobicContact CZ-CD2 4.14Å; F357-Y362 HydrophobicContact CZ-CG 4.19Å; F357-K391 HydrophobicContact CB-CG 4.46Å; F357-K391 HydrophobicContact CD1-CB 4.14Å; F357-K391 HydrophobicContact CD1-CD 4.12Å; F357-K391 HydrophobicContact CD1-CG 3.97Å; F357-K391 HydrophobicContact CD2-CB 4.39Å; F357-K391 HydrophobicContact CD2-CG 4.41Å; F357-K391 HydrophobicContact CE1-CB 3.93Å; F357-K391 HydrophobicContact CE1-CD 4.47Å; F357-K391 HydrophobicContact CE1-CG 4.28Å; F357-K391 HydrophobicContact CE2-CB 4.21Å; F357-K391 HydrophobicContact CG-CB 4.36Å; F357-K391 HydrophobicContact CG-CG 4.03Å; F357-K391 HydrophobicContact CZ-CB 3.96Å
358	Q	92.2	Very high	92.9	Very high	22 Å²	22	57.1 Å²	57.1	10%	0.103	31%	0.306	C	S	.	.			trans	-98.6	82.7	-175.2	-58.2	-65.3	-86.2	0	0	109.8	R352 S354 L356 D360 L361 Y362	R352-Q358 HydrophobicContact CG-CG 4.33Å; S354-Q358 PolarHBondContact OG-NE2 3.23Å; S354-Q358 VanDerWaalsContact OG-NE2 3.14Å; L356-Q358 PolarHBondContact O-N 2.79Å; L356-Q358 PolarHBondContact O-NE2 3.4Å; Q358-D360 PolarHBondContact O-N 2.68Å; Q358-L361 HydrophobicContact CB-CB 4.09Å; Q358-L361 HydrophobicContact CB-CD1 3.89Å; Q358-L361 HydrophobicContact CB-CG 3.93Å; Q358-L361 HydrophobicContact CG-CD1 4.16Å; Q358-L361 PolarHBondContact O-N 3.19Å; Q358-Y362 HydrophobicContact CB-CD2 4.42Å; Q358-Y362 WeakPolarHBondContact O-CD2 3.08Å; Q358-Y362 PolarHBondContact O-N 3.2Å
359	D	91.8	Very high	92.7	Very high	98 Å²	98	59.3 Å²	59.3	52%	0.524	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.3	-179.7	-56.7	-75.1	0	0	0	112.2	F357 L361 Y362	F357-D359 WeakPolarHBondContact CD1-OD1 3.25Å; F357-D359 HydrophobicContact CE1-CB 4.45Å; F357-D359 VanDerWaalsContact CE1-OD1 3.28Å; F357-D359 WeakPolarHBondContact CE1-OD1 3.08Å; F357-D359 PolarHBondContact O-N 3.45Å; D359-L361 VanDerWaalsContact C-N 3.33Å; D359-L361 PolarHBondContact O-N 2.78Å; D359-Y362 CarbonylContact O-C 3.03Å
360	D	91.9	Very high	92.6	Very high	67 Å²	67	59.2 Å²	59.2	36%	0.358	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.7	177.2	82.2	-71	0	0	0	114.7	K9 R352 Q358	K9-D360 PolarHBondContact NZ-O 3.44Å; R352-D360 IonicContact CZ-OD1 3.87Å; R352-D360 IonicContact CZ-OD2 2.58Å; R352-D360 IonicContact NH1-OD1 2.64Å; R352-D360 PolarHBondContact NH1-OD1 2.91Å; R352-D360 IonicContact NH1-OD2 3.76Å; R352-D360 PolarHBondContact NH1-OD2 2.75Å; R352-D360 IonicContact NH2-OD1 3.37Å; R352-D360 IonicContact NH2-OD2 2.78Å; R352-D360 PolarHBondContact NH2-OD2 2.85Å; Q358-D360 PolarHBondContact O-N 2.68Å
361	L	93	Very high	92.6	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-20.4	175.4	-59.9	-176.5	0	0	0	112.6	K9 F10 C330 V350 R352 Q358 D359	K9-L361 HydrophobicContact CD-CD2 4.36Å; F10-L361 HydrophobicContact CE1-CD2 3.99Å; C330-L361 HydrophobicContact CB-CD1 4.35Å; V350-L361 HydrophobicContact CB-CD1 3.89Å; V350-L361 HydrophobicContact CG1-CD1 3.97Å; V350-L361 HydrophobicContact CG1-CD2 4.19Å; V350-L361 HydrophobicContact CG2-CD1 4.33Å; V350-L361 HydrophobicContact CG2-CD2 4.32Å; R352-L361 HydrophobicContact CG-CD1 4.13Å; Q358-L361 HydrophobicContact CB-CB 4.09Å; Q358-L361 HydrophobicContact CB-CD1 3.89Å; Q358-L361 HydrophobicContact CB-CG 3.93Å; Q358-L361 HydrophobicContact CG-CD1 4.16Å; Q358-L361 PolarHBondContact O-N 3.19Å; D359-L361 VanDerWaalsContact C-N 3.33Å; D359-L361 PolarHBondContact O-N 2.78Å
362	Y	95.3	Very high	92.7	Very high	5 Å²	5	58.1 Å²	58.1	2%	0.02	31%	0.313	C	S	.	.			trans	-131.6	71.3	-172.9	-56.8	-64.7	0	0	0	110.7	V327 C330 E331 I332 F357 Q358 D359 L390	V327-Y362 HydrophobicContact CB-CD2 4.23Å; V327-Y362 HydrophobicContact CB-CE1 4.45Å; V327-Y362 HydrophobicContact CB-CE2 3.9Å; V327-Y362 HydrophobicContact CG1-CD1 3.98Å; V327-Y362 HydrophobicContact CG1-CD2 4.24Å; V327-Y362 HydrophobicContact CG1-CE1 3.85Å; V327-Y362 HydrophobicContact CG1-CE2 4.13Å; V327-Y362 HydrophobicContact CG1-CG 4.17Å; C330-Y362 WeakPolarHBondContact CA-OH 3.32Å; E331-Y362 VanDerWaalsContact C-OH 3.23Å; E331-Y362 PolarHBondContact N-OH 2.84Å; E331-Y362 VanDerWaalsContact N-OH 3.07Å; E331-Y362 WeakPolarHBondContact O-CE1 3.21Å; E331-Y362 PolarHBondContact O-OH 3.41Å; I332-Y362 HydrophobicContact CG2-CE1 4.47Å; F357-Y362 HydrophobicContact CD2-CD2 4.47Å; F357-Y362 AromaticContact CE2-CD2 3.87Å; F357-Y362 HydrophobicContact CE2-CD2 3.87Å; F357-Y362 HydrophobicContact CE2-CG 4.2Å; F357-Y362 HydrophobicContact CZ-CD2 4.14Å; F357-Y362 HydrophobicContact CZ-CG 4.19Å; Q358-Y362 HydrophobicContact CB-CD2 4.42Å; Q358-Y362 WeakPolarHBondContact O-CD2 3.08Å; Q358-Y362 PolarHBondContact O-N 3.2Å; D359-Y362 CarbonylContact O-C 3.03Å; Y362-L390 HydrophobicContact CD1-CD1 4.05Å
363	P	96.1	Very high	92.9	Very high	54 Å²	54	58 Å²	58	35%	0.351	32%	0.315	S	S	.	.			trans	-62.1	166.8	166	31.8	-36.6	0	0	0	110.3	D276 T365	D276-P363 HydrophobicContact CB-CG 3.81Å; P363-T365 PolarHBondContact O-N 2.75Å
364	D	95.8	Very high	93.4	Very high	87 Å²	87	47.5 Å²	47.5	47%	0.465	27%	0.27	S	S	.	.			trans	-62.1	126.2	176.4	-64.4	-28.5	0	0	0	110.4	L387 I388 S389	D364-L387 HydrophobicContact CB-CB 3.9Å; D364-L387 HydrophobicContact CB-CD1 4.44Å; D364-I388 WeakPolarHBondContact CA-O 3.36Å; D364-S389 WeakPolarHBondContact OD1-CA 3.43Å; D364-S389 WeakPolarHBondContact OD1-CB 3.36Å; D364-S389 PolarHBondContact OD1-N 3.17Å; D364-S389 PolarHBondContact OD1-OG 2.74Å
365	T	95.6	Very high	93.8	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.037	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	166.2	-167.5	-166.2	0	0	0	0	111.4	D276 K322 P363 G367 L387 I388 L390	D276-T365 PolarHBondContact OD1-OG1 2.85Å; D276-T365 WeakPolarHBondContact OD2-CB 3.37Å; D276-T365 PolarHBondContact OD2-OG1 2.92Å; K322-T365 HydrophobicContact CB-CG2 3.92Å; P363-T365 PolarHBondContact O-N 2.75Å; T365-G367 PolarHBondContact O-N 2.85Å; T365-L387 CarbonylContact O-C 3.57Å; T365-L387 VanDerWaalsContact O-CA 3.25Å; T365-L387 WeakPolarHBondContact O-CA 3.39Å; T365-I388 HydrophobicContact CG2-CG1 4.37Å; T365-I388 PolarHBondContact N-O 2.76Å; T365-I388 PolarHBondContact O-N 2.97Å; T365-L390 HydrophobicContact CG2-CD1 4.01Å; T365-L390 HydrophobicContact CG2-CD2 3.73Å; T365-L390 HydrophobicContact CG2-CG 3.8Å
366	A	95.2	Very high	94.5	Very high	49 Å²	49	44.5 Å²	44.5	41%	0.405	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	120.9	-179.8	0	0	0	0	0	112.4	P385	A366-P385 HydrophobicContact CB-CB 3.8Å; A366-P385 HydrophobicContact CB-CG 4.46Å
367	G	93.9	Very high	94.8	Very high	10 Å²	10	38.1 Å²	38.1	10%	0.103	21%	0.212	C	C	.	.			trans	-84.3	178.7	179.8	0	0	0	0	0	114.5	T365 I386	T365-G367 PolarHBondContact O-N 2.85Å; G367-I386 WeakPolarHBondContact CA-O 3.34Å; G367-I386 PolarHBondContact N-O 3.36Å
368	P	93.9	Very high	95.1	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.084	21%	0.213	C	C	.	.	S	Bend	trans	-88.9	-4.7	178.8	36.8	-35.7	0	0	0	114	H91	H91-P368 CarbonylContact C-O 3.46Å; H91-P368 WeakPolarHBondContact CA-O 3.37Å; H91-P368 WeakPolarHBondContact CB-O 3.41Å
369	D	94.4	Very high	95.3	Very high	46 Å²	46	44 Å²	44	25%	0.246	24%	0.24	C	C	.	.	S	Bend	trans	-89.5	129.1	173.3	-87.2	-41.1	0	0	0	108.8	I386 K398 R400	D369-I386 HydrophobicContact CB-CD1 4.3Å; D369-K398 IonicContact OD1-NZ 3.16Å; D369-K398 IonicContact OD2-NZ 3.05Å; D369-K398 PolarHBondContact OD2-NZ 2.79Å; D369-R400 IonicContact OD1-CZ 3.75Å; D369-R400 IonicContact OD1-NH2 2.64Å; D369-R400 PolarHBondContact OD1-NH2 3.2Å
370	P	95.4	Very high	95.5	Very high	18 Å²	18	41.1 Å²	41.1	12%	0.117	23%	0.234	C	C	.	.			trans	-70.7	149.8	179.1	30.6	-34.9	0	0	0	111	T141 R143 I386	T141-P370 CarbonylContact O-C 3.55Å; T141-P370 VanDerWaalsContact O-CA 3.31Å; T141-P370 WeakPolarHBondContact O-CA 3.35Å; T141-P370 WeakPolarHBondContact O-CB 3.5Å; R143-P370 HydrophobicContact CB-CB 3.91Å; R143-P370 HydrophobicContact CB-CG 3.82Å; R143-P370 HydrophobicContact CG-CG 4.04Å; P370-I386 VanDerWaalsContact O-CD1 3.27Å; P370-I386 WeakPolarHBondContact O-CD1 3.49Å
371	A	96.4	Very high	95.7	Very high	33 Å²	33	42 Å²	42	27%	0.273	23%	0.234	S	C	.	.	S	Bend	trans	-83.9	-23.9	178.7	0	0	0	0	0	113.5	T141 D384 I386	T141-A371 PolarHBondContact O-N 2.85Å; A371-D384 WeakPolarHBondContact CB-O 3.43Å; A371-I386 HydrophobicContact CB-CG1 4.08Å
372	L	96.9	Very high	95.8	Very high	18 Å²	18	46.1 Å²	46.1	9%	0.094	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-136	150.3	-179.7	-63.9	174.1	0	0	0	109.7	T141 A142 R143 E376 W377 K381	T141-L372 PolarHBondContact O-N 3.34Å; A142-L372 CarbonylContact C-O 3.57Å; A142-L372 WeakPolarHBondContact CA-O 3.26Å; A142-L372 HydrophobicContact CB-CB 4.23Å; R143-L372 PolarHBondContact N-O 3.34Å; L372-E376 HydrophobicContact CB-CB 4.44Å; L372-E376 HydrophobicContact CD2-CB 4.41Å; L372-W377 HydrophobicContact CD1-CB 4.14Å; L372-K381 HydrophobicContact CD1-CB 4.28Å; L372-K381 HydrophobicContact CD2-CB 4.11Å
373	E	96.3	Very high	95.8	Very high	80 Å²	80	46.8 Å²	46.8	37%	0.374	26%	0.264	S	S	.	.			trans	-77.6	164.6	161.2	-66.7	-64.1	153.4	0	0	110.5	R143 E375 E376 W377	R143-E373 WeakPolarHBondContact CD-OE2 3.49Å; R143-E373 IonicContact NE-OE2 3.45Å; R143-E373 IonicContact NH1-OE1 2.68Å; E373-E375 PolarHBondContact O-N 3.49Å; E373-E376 HydrophobicContact CB-CG 4.32Å; E373-E376 PolarHBondContact N-OE2 2.84Å; E373-E376 WeakPolarHBondContact O-CB 3.46Å; E373-E376 PolarHBondContact O-N 3.05Å; E373-W377 PolarHBondContact O-N 2.79Å
374	A	95.3	Very high	95.7	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-50.6	-172.8	0	0	0	0	0	111.5	R143 V145 E376 W377 F378	R143-A374 WeakPolarHBondContact O-CB 3.43Å; V145-A374 HydrophobicContact CG2-CB 4.01Å; A374-E376 VanDerWaalsContact C-N 3.27Å; A374-E376 PolarHBondContact O-N 2.83Å; A374-W377 PolarHBondContact O-N 2.79Å; A374-W377 VanDerWaalsContact O-N 3.13Å; A374-F378 HydrophobicContact CB-CD2 4.48Å; A374-F378 HydrophobicContact CB-CE2 4.22Å; A374-F378 WeakPolarHBondContact O-CD2 3.43Å; A374-F378 PolarHBondContact O-N 2.91Å; A374-F378 VanDerWaalsContact O-N 3.11Å
375	E	95.4	Very high	95.7	Very high	90 Å²	90	46.2 Å²	46.2	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-57.7	-41	-178	-65.5	67.2	-149	0	0	111.2	N159 E373 W377 F378 E379	N159-E375 PolarHBondContact ND2-OE1 3.03Å; E373-E375 PolarHBondContact O-N 3.49Å; E375-W377 VanDerWaalsContact C-N 3.34Å; E375-W377 PolarHBondContact O-N 2.9Å; E375-F378 PolarHBondContact O-N 3.21Å; E375-E379 WeakPolarHBondContact O-CB 3.15Å; E375-E379 VanDerWaalsContact O-CG 3.31Å; E375-E379 WeakPolarHBondContact O-CG 3.46Å; E375-E379 PolarHBondContact O-N 3.22Å
376	E	97.1	Very high	95.8	Very high	65 Å²	65	49.7 Å²	49.7	30%	0.304	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-39.8	178.3	-66.3	-158.3	105.7	0	0	113.1	L372 E373 A374 E379 K381	L372-E376 HydrophobicContact CB-CB 4.44Å; L372-E376 HydrophobicContact CD2-CB 4.41Å; E373-E376 HydrophobicContact CB-CG 4.32Å; E373-E376 PolarHBondContact N-OE2 2.84Å; E373-E376 WeakPolarHBondContact O-CB 3.46Å; E373-E376 PolarHBondContact O-N 3.05Å; A374-E376 VanDerWaalsContact C-N 3.27Å; A374-E376 PolarHBondContact O-N 2.83Å; E376-E379 PolarHBondContact O-N 3.27Å; E376-K381 HydrophobicContact CB-CD 3.61Å; E376-K381 HydrophobicContact CG-CD 4.09Å; E376-K381 VanDerWaalsContact O-CB 3.25Å; E376-K381 WeakPolarHBondContact O-CB 3.15Å; E376-K381 PolarHBondContact O-N 2.8Å; E376-K381 VanDerWaalsContact O-N 3.09Å; E376-K381 IonicContact OE1-NZ 2.77Å; E376-K381 PolarHBondContact OE1-NZ 2.83Å
377	W	97.9	Very high	95.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-70.3	-40.6	176.8	179.9	83.7	0	0	0	111.8	H139 A142 V145 I157 I167 W182 G186 P203 R204 L372 E373 A374 E375 E379 G380	H139-W377 AromaticContact CD2-CE2 3.9Å; H139-W377 AromaticContact CD2-CZ2 3.99Å; H139-W377 AromaticContact CE1-CD1 3.71Å; H139-W377 AromaticContact CE1-NE1 3.62Å; H139-W377 AromaticContact NE2-CD1 3.56Å; H139-W377 AromaticContact NE2-CD2 3.91Å; H139-W377 AromaticContact NE2-CE2 3.27Å; H139-W377 VanDerWaalsContact NE2-CE2 3.27Å; H139-W377 AromaticContact NE2-CZ2 3.73Å; H139-W377 AromaticContact NE2-NE1 3Å; H139-W377 PolarHBondContact NE2-NE1 2.92Å; A142-W377 HydrophobicContact CB-CB 3.56Å; A142-W377 HydrophobicContact CB-CG 3.82Å; V145-W377 HydrophobicContact CG1-CE3 4.25Å; V145-W377 HydrophobicContact CG1-CZ3 4.11Å; V145-W377 HydrophobicContact CG2-CE3 4.31Å; I157-W377 HydrophobicContact CD1-CH2 4.24Å; I157-W377 HydrophobicContact CG2-CH2 4.28Å; I157-W377 HydrophobicContact CG2-CZ3 4.03Å; I167-W377 HydrophobicContact CD1-CH2 4.19Å; I167-W377 HydrophobicContact CD1-CZ3 4.08Å; W182-W377 AromaticContact CH2-CH2 3.76Å; W182-W377 HydrophobicContact CH2-CH2 3.76Å; W182-W377 AromaticContact CH2-CZ2 3.69Å; W182-W377 HydrophobicContact CH2-CZ2 3.69Å; W182-W377 HydrophobicContact CZ3-CH2 4.33Å; W182-W377 AromaticContact CZ3-CZ2 3.82Å; W182-W377 HydrophobicContact CZ3-CZ2 3.82Å; G186-W377 WeakPolarHBondContact O-CZ2 3.33Å; G186-W377 PolarHBondContact O-NE1 3.34Å; P203-W377 HydrophobicContact CG-CH2 4.06Å; P203-W377 HydrophobicContact CG-CZ2 4.1Å; R204-W377 WeakPolarHBondContact CD-O 3.47Å; R204-W377 HydrophobicContact CG-CH2 3.81Å; R204-W377 HydrophobicContact CG-CZ2 4.05Å; R204-W377 HydrophobicContact CG-CZ3 4.08Å; R204-W377 PolarHBondContact NH1-O 2.91Å; L372-W377 HydrophobicContact CD1-CB 4.14Å; E373-W377 PolarHBondContact O-N 2.79Å; A374-W377 PolarHBondContact O-N 2.79Å; A374-W377 VanDerWaalsContact O-N 3.13Å; E375-W377 VanDerWaalsContact C-N 3.34Å; E375-W377 PolarHBondContact O-N 2.9Å; W377-E379 VanDerWaalsContact C-N 3.32Å; W377-E379 PolarHBondContact O-N 2.89Å; W377-G380 WeakPolarHBondContact O-CA 3.31Å; W377-G380 PolarHBondContact O-N 3.44Å
378	F	97.1	Very high	95.9	Very high	40 Å²	40	53.4 Å²	53.4	18%	0.175	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-32.4	174	-68.7	-66.1	0	0	0	112.6	V145 I157 N159 M166 I167 A374 E375 G380	V145-F378 HydrophobicContact CG1-CZ 4.28Å; V145-F378 HydrophobicContact CG2-CE2 3.87Å; V145-F378 HydrophobicContact CG2-CZ 4.05Å; I157-F378 HydrophobicContact CG2-CE1 4.15Å; I157-F378 HydrophobicContact CG2-CZ 4.23Å; N159-F378 HydrophobicContact CB-CE2 4.15Å; M166-F378 HydrophobicContact CB-CD1 3.89Å; M166-F378 HydrophobicContact CB-CE1 3.23Å; M166-F378 HydrophobicContact CB-CE2 4.1Å; M166-F378 HydrophobicContact CB-CZ 3.39Å; M166-F378 HydrophobicContact CE-CB 4.47Å; M166-F378 HydrophobicContact CE-CD1 4.3Å; M166-F378 HydrophobicContact CE-CD2 3.86Å; M166-F378 HydrophobicContact CE-CE2 4.19Å; M166-F378 HydrophobicContact CE-CG 3.96Å; M166-F378 HydrophobicContact CG-CD1 4.5Å; M166-F378 HydrophobicContact CG-CD2 4.36Å; M166-F378 HydrophobicContact CG-CE1 3.86Å; M166-F378 HydrophobicContact CG-CE2 3.75Å; M166-F378 HydrophobicContact CG-CZ 3.48Å; M166-F378 VanDerWaalsContact CG-CZ 3.48Å; I167-F378 HydrophobicContact CD1-CD1 4.07Å; I167-F378 HydrophobicContact CD1-CE1 3.99Å; I167-F378 HydrophobicContact CG1-CD1 4.35Å; I167-F378 HydrophobicContact CG1-CE1 4.19Å; A374-F378 HydrophobicContact CB-CD2 4.48Å; A374-F378 HydrophobicContact CB-CE2 4.22Å; A374-F378 WeakPolarHBondContact O-CD2 3.43Å; A374-F378 PolarHBondContact O-N 2.91Å; A374-F378 VanDerWaalsContact O-N 3.11Å; E375-F378 PolarHBondContact O-N 3.21Å; F378-G380 PolarHBondContact O-N 2.87Å
379	E	96.4	Very high	95.9	Very high	141 Å²	141	55.3 Å²	55.3	66%	0.659	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-7.1	168.9	-74.7	172.8	173.7	0	0	113.7	E375 E376 W377 K381	E375-E379 WeakPolarHBondContact O-CB 3.15Å; E375-E379 VanDerWaalsContact O-CG 3.31Å; E375-E379 WeakPolarHBondContact O-CG 3.46Å; E375-E379 PolarHBondContact O-N 3.22Å; E376-E379 PolarHBondContact O-N 3.27Å; W377-E379 VanDerWaalsContact C-N 3.32Å; W377-E379 PolarHBondContact O-N 2.89Å; E379-K381 IonicContact OE2-NZ 3.13Å; E379-K381 PolarHBondContact OE2-NZ 2.91Å; E379-K381 VanDerWaalsContact OE2-NZ 3.13Å
380	G	95.5	Very high	95.9	Very high	38 Å²	38	53.3 Å²	53.3	39%	0.392	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	5.5	176.3	0	0	0	0	0	115.2	W377 F378	W377-G380 WeakPolarHBondContact O-CA 3.31Å; W377-G380 PolarHBondContact O-N 3.44Å; F378-G380 PolarHBondContact O-N 2.87Å
381	K	97.1	Very high	95.6	Very high	86 Å²	86	58.2 Å²	58.2	37%	0.374	31%	0.309	S	S	.	.			trans	-66.5	150.8	173.2	-66.1	156	174.7	160.7	0	110.4	R204 L372 E376 E379	R204-K381 PolarHBondContact NH1-O 2.89Å; L372-K381 HydrophobicContact CD1-CB 4.28Å; L372-K381 HydrophobicContact CD2-CB 4.11Å; E376-K381 HydrophobicContact CB-CD 3.61Å; E376-K381 HydrophobicContact CG-CD 4.09Å; E376-K381 VanDerWaalsContact O-CB 3.25Å; E376-K381 WeakPolarHBondContact O-CB 3.15Å; E376-K381 PolarHBondContact O-N 2.8Å; E376-K381 VanDerWaalsContact O-N 3.09Å; E376-K381 IonicContact OE1-NZ 2.77Å; E376-K381 PolarHBondContact OE1-NZ 2.83Å; E379-K381 IonicContact OE2-NZ 3.13Å; E379-K381 PolarHBondContact OE2-NZ 2.91Å; E379-K381 VanDerWaalsContact OE2-NZ 3.13Å
382	N	95.7	Very high	95	Very high	88 Å²	88	63.2 Å²	63.2	47%	0.471	33%	0.331	S	S	.	.			trans	-127.1	142.9	173.1	-62.9	-63.9	0	0	0	108.5	S187 R204	S187-N382 VanDerWaalsContact CB-OD1 3.22Å; S187-N382 WeakPolarHBondContact CB-OD1 3.44Å; R204-N382 PolarHBondContact NH1-OD1 3.18Å; R204-N382 PolarHBondContact NH2-OD1 3.44Å
383	G	93.7	Very high	94.1	Very high	18 Å²	18	63.8 Å²	63.8	19%	0.186	34%	0.341	C	S	.	.			trans	-150.5	134.9	176.8	0	0	0	0	0	109.5	T141	T141-G383 WeakPolarHBondContact CB-O 3.46Å; T141-G383 WeakPolarHBondContact CG2-O 3.4Å; T141-G383 PolarHBondContact OG1-O 3.01Å
384	D	95.3	Very high	93.5	Very high	111 Å²	111	63.6 Å²	63.6	59%	0.594	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-70.6	156.9	174.3	-67	-49.9	0	0	0	110.8	N185 A371 I386	N185-D384 WeakPolarHBondContact CB-OD1 3.33Å; A371-D384 WeakPolarHBondContact CB-O 3.43Å; D384-I386 PolarHBondContact O-N 2.82Å
385	P	95.9	Very high	92.6	Very high	18 Å²	18	67.4 Å²	67.4	12%	0.117	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-56.2	136.3	178.6	-21.9	30.6	0	0	0	112.2	T141 R184 A366 L387	T141-P385 HydrophobicContact CG2-CB 4.19Å; T141-P385 HydrophobicContact CG2-CG 3.63Å; R184-P385 HydrophobicContact CG-CG 4.39Å; R184-P385 WeakPolarHBondContact O-CD 3.48Å; R184-P385 VanDerWaalsContact O-CG 3.32Å; R184-P385 WeakPolarHBondContact O-CG 3.44Å; A366-P385 HydrophobicContact CB-CB 3.8Å; A366-P385 HydrophobicContact CB-CG 4.46Å; P385-L387 HydrophobicContact CB-CD2 4.49Å; P385-L387 WeakPolarHBondContact O-CD2 3.49Å; P385-L387 PolarHBondContact O-N 3.34Å; P385-L387 VanDerWaalsContact O-N 3.13Å
386	I	95.9	Very high	91.6	Very high	80 Å²	80	66.8 Å²	66.8	41%	0.41	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.9	116.1	171.7	-59.4	-178.1	0	0	0	108	G367 D369 P370 A371 D384	G367-I386 WeakPolarHBondContact CA-O 3.34Å; G367-I386 PolarHBondContact N-O 3.36Å; D369-I386 HydrophobicContact CB-CD1 4.3Å; P370-I386 VanDerWaalsContact O-CD1 3.27Å; P370-I386 WeakPolarHBondContact O-CD1 3.49Å; A371-I386 HydrophobicContact CB-CG1 4.08Å; D384-I386 PolarHBondContact O-N 2.82Å
387	L	96.1	Very high	90.3	Very high	85 Å²	85	64.8 Å²	64.8	45%	0.445	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	146.5	-176.1	-53.7	-178.6	0	0	0	112	D364 T365 P385	D364-L387 HydrophobicContact CB-CB 3.9Å; D364-L387 HydrophobicContact CB-CD1 4.44Å; T365-L387 CarbonylContact O-C 3.57Å; T365-L387 VanDerWaalsContact O-CA 3.25Å; T365-L387 WeakPolarHBondContact O-CA 3.39Å; P385-L387 HydrophobicContact CB-CD2 4.49Å; P385-L387 WeakPolarHBondContact O-CD2 3.49Å; P385-L387 PolarHBondContact O-N 3.34Å; P385-L387 VanDerWaalsContact O-N 3.13Å
388	I	95.2	Very high	89.1	Confident	52 Å²	52	71.2 Å²	71.2	27%	0.267	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.2	175.1	63.5	169.3	0	0	0	111.2	R323 D364 T365	R323-I388 HydrophobicContact CG-CD1 4.18Å; D364-I388 WeakPolarHBondContact CA-O 3.36Å; T365-I388 HydrophobicContact CG2-CG1 4.37Å; T365-I388 PolarHBondContact N-O 2.76Å; T365-I388 PolarHBondContact O-N 2.97Å
389	S	95.4	Very high	87.4	Confident	52 Å²	52	73.9 Å²	73.9	36%	0.364	41%	0.405	S	S	.	.			trans	-83.1	131	173.4	-167.7	0	0	0	0	111.5	D364 K391	D364-S389 WeakPolarHBondContact OD1-CA 3.43Å; D364-S389 WeakPolarHBondContact OD1-CB 3.36Å; D364-S389 PolarHBondContact OD1-N 3.17Å; D364-S389 PolarHBondContact OD1-OG 2.74Å; S389-K391 PolarHBondContact O-N 2.77Å
390	L	94	Very high	86.1	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.026	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-78.9	0.1	176.9	-60.7	175.8	0	0	0	113.8	K322 V327 Y362 T365 N392 G393	K322-L390 HydrophobicContact CB-CD1 4.2Å; V327-L390 HydrophobicContact CG1-CB 3.94Å; V327-L390 HydrophobicContact CG1-CD1 4.3Å; Y362-L390 HydrophobicContact CD1-CD1 4.05Å; T365-L390 HydrophobicContact CG2-CD1 4.01Å; T365-L390 HydrophobicContact CG2-CD2 3.73Å; T365-L390 HydrophobicContact CG2-CG 3.8Å; L390-N392 PolarHBondContact O-N 3.05Å; L390-N392 VanDerWaalsContact O-N 3.16Å; L390-G393 PolarHBondContact O-N 2.59Å
391	K	89.4	Confident	84.8	Confident	120 Å²	120	76.5 Å²	76.5	52%	0.522	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-58	-29.7	-175.5	-172.7	167.1	-172.9	157.4	0	114.5	F357 S389	F357-K391 HydrophobicContact CB-CG 4.46Å; F357-K391 HydrophobicContact CD1-CB 4.14Å; F357-K391 HydrophobicContact CD1-CD 4.12Å; F357-K391 HydrophobicContact CD1-CG 3.97Å; F357-K391 HydrophobicContact CD2-CB 4.39Å; F357-K391 HydrophobicContact CD2-CG 4.41Å; F357-K391 HydrophobicContact CE1-CB 3.93Å; F357-K391 HydrophobicContact CE1-CD 4.47Å; F357-K391 HydrophobicContact CE1-CG 4.28Å; F357-K391 HydrophobicContact CE2-CB 4.21Å; F357-K391 HydrophobicContact CG-CB 4.36Å; F357-K391 HydrophobicContact CG-CG 4.03Å; F357-K391 HydrophobicContact CZ-CB 3.96Å; S389-K391 PolarHBondContact O-N 2.77Å
392	N	82.5	Confident	84	Confident	139 Å²	139	73.6 Å²	73.6	74%	0.743	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-93.1	8.5	177.9	-61.5	-34.6	0	0	0	113	L390	L390-N392 PolarHBondContact O-N 3.05Å; L390-N392 VanDerWaalsContact O-N 3.16Å
393	G	79.7	Confident	83.1	Confident	30 Å²	30	76.2 Å²	76.2	31%	0.309	40%	0.398	S	S	.	.			trans	72.5	-155.3	-174	0	0	0	0	0	113.2	L390 V395	L390-G393 PolarHBondContact O-N 2.59Å; G393-V395 PolarHBondContact O-N 3.33Å
394	Y	82.8	Confident	82.5	Confident	76 Å²	76	77.3 Å²	77.3	30%	0.298	40%	0.401	S	S	.	.			trans	-69.9	110	177.9	175.7	-108.3	0	0	0	111.2	P43 K44 D93 R323 P396	P43-Y394 HydrophobicContact CB-CD2 3.54Å; P43-Y394 HydrophobicContact CB-CE2 3.31Å; P43-Y394 HydrophobicContact CB-CG 4.35Å; P43-Y394 HydrophobicContact CG-CD2 4.02Å; P43-Y394 HydrophobicContact CG-CE2 3.74Å; K44-Y394 WeakPolarHBondContact CE-OH 3.45Å; D93-Y394 WeakPolarHBondContact OD2-CE2 3.47Å; D93-Y394 PolarHBondContact OD2-OH 3.05Å; R323-Y394 HydrophobicContact CB-CD2 4.24Å; R323-Y394 WeakPolarHBondContact O-CD2 3.42Å; Y394-P396 HydrophobicContact CD1-CG 4.22Å; Y394-P396 HydrophobicContact CE1-CB 4.06Å; Y394-P396 HydrophobicContact CE1-CG 3.75Å
395	V	77.1	Confident	81.8	Confident	82 Å²	82	77 Å²	77	50%	0.497	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-91.9	117.9	164.8	-177.9	0	0	0	0	107.8	G393 G397	G393-V395 PolarHBondContact O-N 3.33Å; V395-G397 PolarHBondContact O-N 2.58Å
396	P	73.6	Confident	80.3	Confident	77 Å²	77	83 Å²	83	50%	0.5	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-58.1	135.8	174.2	-21.5	31.4	0	0	0	110.9	Y394	Y394-P396 HydrophobicContact CD1-CG 4.22Å; Y394-P396 HydrophobicContact CE1-CB 4.06Å; Y394-P396 HydrophobicContact CE1-CG 3.75Å
397	G	70.2	Confident	78.4	Confident	23 Å²	23	85.1 Å²	85.1	24%	0.237	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-58.2	156.2	165.8	0	0	0	0	0	110.6	V395 N399	V395-G397 PolarHBondContact O-N 2.58Å; G397-N399 PolarHBondContact O-N 3.02Å
398	K	73.4	Confident	75.9	Confident	134 Å²	134	86.6 Å²	86.6	58%	0.583	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-54.4	117.7	173.7	-66.7	164.2	-174.1	129.1	0	108.1	D369 R400	D369-K398 IonicContact OD1-NZ 3.16Å; D369-K398 IonicContact OD2-NZ 3.05Å; D369-K398 PolarHBondContact OD2-NZ 2.79Å; K398-R400 HydrophobicContact CB-CG 4.16Å; K398-R400 WeakPolarHBondContact O-CG 3.46Å; K398-R400 PolarHBondContact O-N 3.02Å
399	N	61	Low	73.7	Confident	96 Å²	96	91.3 Å²	91.3	51%	0.513	47%	0.466	S	S	.	.			trans	-63.5	96.3	176.4	-115.2	8.8	0	0	0	107.8	E112 G397	E112-N399 PolarHBondContact OE2-ND2 3.26Å; G397-N399 PolarHBondContact O-N 3.02Å
400	R	67.8	Low	71.3	Confident	90 Å²	90	95.9 Å²	95.9	34%	0.34	49%	0.486	S	S	.	.			trans	-111.2	118.7	178.2	-61.4	-178.8	-149.6	-157.4	15.3	107.1	N92 R143 D369 K398 F402	N92-R400 PolarHBondContact ND2-O 2.92Å; R143-R400 VanDerWaalsContact NH1-NH1 3.12Å; D369-R400 IonicContact OD1-CZ 3.75Å; D369-R400 IonicContact OD1-NH2 2.64Å; D369-R400 PolarHBondContact OD1-NH2 3.2Å; K398-R400 HydrophobicContact CB-CG 4.16Å; K398-R400 WeakPolarHBondContact O-CG 3.46Å; K398-R400 PolarHBondContact O-N 3.02Å; R400-F402 PolarHBondContact O-N 3.4Å
401	E	69.8	Low	68.9	Low	144 Å²	144	101.1 Å²	101.1	67%	0.673	51%	0.514	S	S	*	.			trans	-54.2	126.7	169.4	-68.1	-179.8	142.9	0	0	109.2	K403	E401-K403 HydrophobicContact CB-CG 4.34Å; E401-K403 PolarHBondContact O-N 3.32Å; E401-K403 VanDerWaalsContact O-N 3.17Å; E401-K403 WeakPolarHBondContact OE2-CE 3.49Å; E401-K403 IonicContact OE2-NZ 3.86Å; E401-K403 PolarHBondContact OE2-NZ 2.96Å
402	F	78.9	Confident	66.6	Low	26 Å²	26	100 Å²	100	11%	0.114	52%	0.521	C	S	.	.			trans	-72.1	109.1	172.8	-172.3	-95.2	0	0	0	109.1	V95 V123 V124 N144 V160 R400 V404	V95-F402 HydrophobicContact CG2-CB 3.85Å; V95-F402 HydrophobicContact CG2-CD2 4.05Å; V95-F402 HydrophobicContact CG2-CG 4.03Å; V123-F402 HydrophobicContact CB-CD1 4.36Å; V123-F402 HydrophobicContact CG1-CD1 3.83Å; V123-F402 HydrophobicContact CG1-CE1 4.28Å; V124-F402 HydrophobicContact CG2-CE1 4.16Å; N144-F402 WeakPolarHBondContact OD1-CE2 3.47Å; V160-F402 HydrophobicContact CB-CZ 4.06Å; V160-F402 HydrophobicContact CG1-CE1 4.16Å; V160-F402 HydrophobicContact CG1-CZ 3.63Å; R400-F402 PolarHBondContact O-N 3.4Å; F402-V404 HydrophobicContact CD1-CG2 4.14Å; F402-V404 HydrophobicContact CE1-CG2 3.63Å
403	K	77.7	Confident	64.6	Low	142 Å²	142	102.1 Å²	102.1	62%	0.617	52%	0.523	S	S	*	.			trans	-111.9	131.1	-179.2	-69.5	-176.3	178.7	171.5	0	110.2	E401	E401-K403 HydrophobicContact CB-CG 4.34Å; E401-K403 PolarHBondContact O-N 3.32Å; E401-K403 VanDerWaalsContact O-N 3.17Å; E401-K403 WeakPolarHBondContact OE2-CE 3.49Å; E401-K403 IonicContact OE2-NZ 3.86Å; E401-K403 PolarHBondContact OE2-NZ 2.96Å
404	V	80.5	Confident	62.5	Low	41 Å²	41	106.1 Å²	106.1	25%	0.248	54%	0.541	C	S	.	.			trans	-102	125.2	178.4	-176.3	0	0	0	0	108.1	V123 V124 G161 F402 K406	V123-V404 HydrophobicContact CG1-CG2 3.74Å; V124-V404 HydrophobicContact CG2-CB 4.28Å; V124-V404 HydrophobicContact CG2-CG1 4Å; V124-V404 HydrophobicContact CG2-CG2 3.27Å; G161-V404 CarbonylContact O-C 3.58Å; G161-V404 WeakPolarHBondContact O-CA 3.43Å; F402-V404 HydrophobicContact CD1-CG2 4.14Å; F402-V404 HydrophobicContact CE1-CG2 3.63Å; V404-K406 HydrophobicContact CG1-CG 4.06Å
405	V	80.1	Confident	60.1	Low	106 Å²	106	109.7 Å²	109.7	64%	0.642	57%	0.566	S	S	*	*			trans	-115.1	85	176.9	-174.2	0	0	0	0	107.6	G161 K407	G161-V405 PolarHBondContact O-N 3.24Å; V405-K407 PolarHBondContact O-N 3.34Å
406	K	64.9	Low	58.1	Low	143 Å²	143	114.8 Å²	114.8	62%	0.622	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-64.1	120.1	171.3	-64.2	-166.8	175.4	-170.5	0	108.4	V404 N408	V404-K406 HydrophobicContact CG1-CG 4.06Å; K406-N408 PolarHBondContact O-N 3.12Å
407	K	55.5	Low	56	Low	124 Å²	124	118.7 Å²	118.7	54%	0.539	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-67.5	129.3	173.7	-67.1	177.4	-165	129.1	0	109	E164 V405 I409	E164-K407 IonicContact OE1-NZ 3.62Å; E164-K407 IonicContact OE2-NZ 2.85Å; E164-K407 PolarHBondContact OE2-NZ 3.14Å; V405-K407 PolarHBondContact O-N 3.34Å; K407-I409 PolarHBondContact O-N 2.82Å
408	N	43.9	Very low	54	Low	116 Å²	116	124.2 Å²	124.2	62%	0.62	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-71	126.5	173.3	-78.7	-37.3	0	0	0	109.5	K406 L410 D411	K406-N408 PolarHBondContact O-N 3.12Å; N408-L410 PolarHBondContact O-N 3.26Å; N408-D411 PolarHBondContact O-N 2.92Å
409	I	49.7	Very low	51.9	Low	152 Å²	152	126 Å²	126	78%	0.779	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-11.1	-177.7	-62.8	170.1	0	0	0	112.8	K407 S412	K407-I409 PolarHBondContact O-N 2.82Å; I409-S412 PolarHBondContact O-OG 3.21Å
410	L	45.2	Very low	50.3	Low	148 Å²	148	127.4 Å²	127.4	78%	0.775	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-29.6	175.2	-73.9	161	0	0	0	113.9	N408 S412	N408-L410 PolarHBondContact O-N 3.26Å; L410-S412 PolarHBondContact O-N 3.29Å
411	D	43.2	Very low	48.5	Very low	115 Å²	115	127.4 Å²	127.4	62%	0.615	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-76.7	-22.5	-174.2	-67.6	-38.7	0	0	0	112.9	N408 K413	N408-D411 PolarHBondContact O-N 2.92Å; D411-K413 PolarHBondContact O-N 2.96Å
412	S	40.7	Very low	46.5	Very low	96 Å²	96	126.1 Å²	126.1	67%	0.671	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-71.8	-10.4	-179.5	62.6	0	0	0	0	114.4	I409 L410	I409-S412 PolarHBondContact O-OG 3.21Å; L410-S412 PolarHBondContact O-N 3.29Å
413	K	40.1	Very low	44.5	Very low	183 Å²	183	131 Å²	131	80%	0.796	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-90.5	-4.7	-179.6	-84.3	-173.1	174.7	178.7	0	115.6	D411	D411-K413 PolarHBondContact O-N 2.96Å
414	V	37.3	Very low	42.1	Very low	114 Å²	114	128.8 Å²	128.8	69%	0.691	71%	0.708	S	S	*	*	S	Bend	trans	-89.2	-24.8	-174.4	-176.2	0	0	0	0	113.2
415	N	32.3	Very low	39.5	Very low	152 Å²	152	134.2 Å²	134.2	81%	0.813	74%	0.736	S	S	*	*	S	Bend	trans	-106.3	39.7	-171.2	-77.1	-7.2	0	0	0	115.7
416	K	35.4	Very low	37	Very low	189 Å²	189	138 Å²	138	82%	0.822	74%	0.744	S	S	*	*	S	Bend	trans	-142.7	91	158.7	-76.9	-169.4	178.4	177.2	0	110.7
417	N	29	Very low	35.2	Very low	158 Å²	158	136.7 Å²	136.7	85%	0.845	75%	0.753	S	S	*	*			trans	170.5	89.7	138	-86.2	-11.5	0	0	0	112.9
418	T	27.8	Very low	33.9	Very low	140 Å²	140	135.8 Å²	135.8	86%	0.859	77%	0.769	S	S	*	*			trans	-148.5	127.4	151.8	35.6	0	0	0	0	105.8
419	E	28.7	Very low	33.1	Very low	171 Å²	171	135.8 Å²	135.8	80%	0.799	78%	0.777	S	S	*	*			cis	-117.8	-156.4	7.6	-53.4	-174.1	115	0	0	110.6
420	N	28.8	Very low	32.3	Very low	125 Å²	125	134.1 Å²	134.1	67%	0.668	78%	0.779	S	S	*	*			cis	-153.2	179.1	-0.3	-150.7	-61.7	0	0	0	111
421	S	28.8	Very low	31.7	Very low	90 Å²	90	133 Å²	133	63%	0.629	78%	0.779	S	S	*	*			trans	63.7	76.9	151.7	73	0	0	0	0	121.4
422	S	28.1	Very low	31.6	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	78%	0.78	S	S	*	*				75.5	160.6	115.2	88.8	0	0	0	0	119
423	P	37.8	Very low	31.6	Very low	128 Å²	128	131.4 Å²	131.4	83%	0.831	77%	0.774	S	S	*	*				-129.4	154.1	-123.2	39.7	-24	0	0	0	117.7
424	A	27.1	Very low	32.2	Very low	96 Å²	96	129.6 Å²	129.6	79%	0.793	77%	0.772	S	S	*	*			trans	-152.4	113.6	163.2	0	0	0	0	0	114.4
425	N	25.9	Very low	32.9	Very low	156 Å²	156	132.5 Å²	132.5	83%	0.834	78%	0.775	S	S	*	*			trans	9	125.4	146.6	-74.6	-31.5	0	0	0	118
426	K	26.2	Very low	33.9	Very low	186 Å²	186	128.6 Å²	128.6	81%	0.809	76%	0.76	S	S	*	*				-177.2	143	58.7	-122.4	164.5	-173.8	-179.6	0	113.2
427	S	28	Very low	35.3	Very low	114 Å²	114	125.6 Å²	125.6	80%	0.797	75%	0.749	S	S	*	*			trans	44.2	111.3	146.9	62.4	0	0	0	0	122.3
428	A	27.2	Very low	37.3	Very low	106 Å²	106	120.7 Å²	120.7	88%	0.876	73%	0.73	S	S	*	*				-156.1	145	124.6	0	0	0	0	0	110.2
429	S	28.5	Very low	39.5	Very low	115 Å²	115	120.8 Å²	120.8	80%	0.804	72%	0.719	S	S	*	*			trans	-79	139.9	-170.9	50.7	0	0	0	0	114.3
430	S	31.7	Very low	41.6	Very low	117 Å²	117	118.3 Å²	118.3	82%	0.818	71%	0.709	S	S	*	*			trans	-81.4	134.6	168.4	47.7	0	0	0	0	112.3
431	T	32.7	Very low	44.2	Very low	125 Å²	125	118.1 Å²	118.1	77%	0.767	70%	0.704	S	S	*	*			trans	-136.6	115.9	161.1	-38.9	0	0	0	0	108.2
432	P	40.5	Very low	46.9	Very low	97 Å²	97	120.2 Å²	120.2	63%	0.63	70%	0.704	S	S	*	*			trans	-70.6	133.5	171.9	-5.5	20.9	0	0	0	109.1	I434	P432-I434 PolarHBondContact O-N 2.56Å
433	S	42.7	Very low	49.5	Very low	80 Å²	80	119.1 Å²	119.1	56%	0.559	69%	0.687	S	S	*	*			trans	-75.7	116.5	177.1	66.7	0	0	0	0	110.7	K435 S436	S433-K435 PolarHBondContact O-N 3.21Å; S433-S436 PolarHBondContact O-N 3.1Å; S433-S436 PolarHBondContact O-OG 3.19Å; S433-S436 VanDerWaalsContact O-OG 3.07Å
434	I	51.3	Low	51.7	Low	145 Å²	145	117.8 Å²	117.8	74%	0.744	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.8	-20.3	179.3	-64.1	163.9	0	0	0	114	P432 S436	P432-I434 PolarHBondContact O-N 2.56Å; I434-S436 PolarHBondContact O-N 3.28Å
435	K	51.9	Low	54.7	Low	175 Å²	175	119.9 Å²	119.9	76%	0.761	66%	0.664	S	S	*	*	H	α-helix	trans	-68.5	-20.4	176.7	-68.7	-175.4	176.4	-179.4	0	115.6	S433	S433-K435 PolarHBondContact O-N 3.21Å
436	S	53.6	Low	57.7	Low	70 Å²	70	118.5 Å²	118.5	49%	0.49	65%	0.653	S	S	.	*	H	α-helix	trans	-84.1	-39.8	-179.4	52.5	0	0	0	0	112.9	S433 I434 M440	S433-S436 PolarHBondContact O-N 3.1Å; S433-S436 PolarHBondContact O-OG 3.19Å; S433-S436 VanDerWaalsContact O-OG 3.07Å; I434-S436 PolarHBondContact O-N 3.28Å; S436-M440 PolarHBondContact O-N 3.34Å
437	E	65.1	Low	60.5	Low	127 Å²	127	113.2 Å²	113.2	59%	0.593	63%	0.632	S	S	*	*	H	α-helix	trans	-69.5	-45	-180	-67.8	176	154.1	0	0	111.3	K439 M440 E441	E437-K439 VanDerWaalsContact C-N 3.29Å; E437-K439 PolarHBondContact O-N 2.58Å; E437-M440 PolarHBondContact O-N 3.24Å; E437-E441 PolarHBondContact O-N 2.99Å
438	A	70.1	Confident	63.5	Low	55 Å²	55	114.3 Å²	114.3	46%	0.455	62%	0.623	S	S	.	*	H	α-helix	trans	-56.3	-40.8	177.1	0	0	0	0	0	112.8	E442	A438-E442 WeakPolarHBondContact O-CB 3.5Å; A438-E442 PolarHBondContact O-N 3.06Å
439	K	75.6	Confident	66.5	Low	141 Å²	141	113 Å²	113	61%	0.613	61%	0.607	S	S	*	*	H	α-helix	trans	-67.5	-37.3	175.4	-79	-171.7	170.5	-165.7	0	113	E437 I443	E437-K439 VanDerWaalsContact C-N 3.29Å; E437-K439 PolarHBondContact O-N 2.58Å; K439-I443 WeakPolarHBondContact O-CD1 3.48Å; K439-I443 VanDerWaalsContact O-CG1 3.31Å; K439-I443 WeakPolarHBondContact O-CG1 3.42Å; K439-I443 PolarHBondContact O-N 2.85Å; K439-I443 VanDerWaalsContact O-N 3.11Å
440	M	73.1	Confident	69.3	Low	120 Å²	120	112.1 Å²	112.1	59%	0.591	59%	0.593	S	S	*	*	H	α-helix	trans	-69.7	-38.3	178.6	-153	-135	-60.3	0	0	111.1	S436 E437 I443 L444	S436-M440 PolarHBondContact O-N 3.34Å; E437-M440 PolarHBondContact O-N 3.24Å; M440-I443 PolarHBondContact O-N 2.83Å; M440-L444 WeakPolarHBondContact O-CB 3.48Å; M440-L444 VanDerWaalsContact O-CG 3.3Å; M440-L444 WeakPolarHBondContact O-CG 3.46Å; M440-L444 PolarHBondContact O-N 3.07Å; M440-L444 HydrophobicContact SD-CD1 4.14Å
441	E	82.5	Confident	72	Confident	121 Å²	121	113.3 Å²	113.3	57%	0.565	58%	0.583	S	S	*	*	H	α-helix	trans	-68.9	-33.2	177.1	-161.4	178.2	-156.3	0	0	112.7	E437 K445	E437-E441 PolarHBondContact O-N 2.99Å; E441-K445 PolarHBondContact O-N 3.16Å; E441-K445 VanDerWaalsContact O-N 3.1Å
442	E	86.1	Confident	74.8	Confident	134 Å²	134	112 Å²	112	63%	0.626	57%	0.572	S	S	*	*	H	α-helix	trans	-64.5	-49.2	171.5	-170.6	167.2	-145	0	0	111.6	A438 L444 K445 E446	A438-E442 WeakPolarHBondContact O-CB 3.5Å; A438-E442 PolarHBondContact O-N 3.06Å; E442-L444 VanDerWaalsContact C-N 3.32Å; E442-L444 PolarHBondContact O-N 2.98Å; E442-K445 WeakPolarHBondContact O-CB 3.26Å; E442-K445 PolarHBondContact O-N 3.39Å; E442-K445 VanDerWaalsContact O-N 3.16Å; E442-E446 PolarHBondContact O-N 2.98Å
443	I	81.1	Confident	77.2	Confident	93 Å²	93	111.6 Å²	111.6	48%	0.477	56%	0.564	S	S	.	*	H	α-helix	trans	-60.1	-40.6	175.5	-68.3	165.2	0	0	0	111.4	K439 M440 K445 E446 I447	K439-I443 WeakPolarHBondContact O-CD1 3.48Å; K439-I443 VanDerWaalsContact O-CG1 3.31Å; K439-I443 WeakPolarHBondContact O-CG1 3.42Å; K439-I443 PolarHBondContact O-N 2.85Å; K439-I443 VanDerWaalsContact O-N 3.11Å; M440-I443 PolarHBondContact O-N 2.83Å; I443-K445 VanDerWaalsContact C-N 3.35Å; I443-K445 PolarHBondContact O-N 2.98Å; I443-E446 PolarHBondContact O-N 2.85Å; I443-I447 HydrophobicContact CG2-CD1 3.84Å; I443-I447 HydrophobicContact CG2-CG1 4.42Å; I443-I447 WeakPolarHBondContact O-CG1 3.35Å; I443-I447 PolarHBondContact O-N 2.9Å
444	L	85.1	Confident	79.5	Confident	100 Å²	100	112 Å²	112	52%	0.524	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-35.5	177.2	-75.8	173.5	0	0	0	112.9	M440 E442 K448	M440-L444 WeakPolarHBondContact O-CB 3.48Å; M440-L444 VanDerWaalsContact O-CG 3.3Å; M440-L444 WeakPolarHBondContact O-CG 3.46Å; M440-L444 PolarHBondContact O-N 3.07Å; M440-L444 HydrophobicContact SD-CD1 4.14Å; E442-L444 VanDerWaalsContact C-N 3.32Å; E442-L444 PolarHBondContact O-N 2.98Å; L444-K448 PolarHBondContact O-N 2.75Å; L444-K448 VanDerWaalsContact O-N 3.15Å
445	K	89.1	Confident	81.4	Confident	140 Å²	140	107 Å²	107	61%	0.609	54%	0.537	S	S	*	.	H	α-helix	trans	-66.9	-41.6	171.8	-80.2	170.9	179.6	158.8	0	111.8	E441 E442 I443 K448 S449	E441-K445 PolarHBondContact O-N 3.16Å; E441-K445 VanDerWaalsContact O-N 3.1Å; E442-K445 WeakPolarHBondContact O-CB 3.26Å; E442-K445 PolarHBondContact O-N 3.39Å; E442-K445 VanDerWaalsContact O-N 3.16Å; I443-K445 VanDerWaalsContact C-N 3.35Å; I443-K445 PolarHBondContact O-N 2.98Å; K445-K448 PolarHBondContact O-N 2.76Å; K445-S449 PolarHBondContact O-N 3.43Å
446	E	89.3	Confident	83.2	Confident	128 Å²	128	101.6 Å²	101.6	60%	0.598	52%	0.521	S	S	*	.	H	α-helix	trans	-65.3	-44.8	178.9	-166.8	167.7	-145.7	0	0	111.8	E442 I443 K448 S449 L450	E442-E446 PolarHBondContact O-N 2.98Å; I443-E446 PolarHBondContact O-N 2.85Å; E446-K448 VanDerWaalsContact C-N 3.28Å; E446-K448 PolarHBondContact O-N 2.9Å; E446-S449 WeakPolarHBondContact O-CB 3.2Å; E446-S449 PolarHBondContact O-N 2.81Å; E446-L450 HydrophobicContact CG-CD1 4.47Å; E446-L450 WeakPolarHBondContact O-CG 3.48Å; E446-L450 PolarHBondContact O-N 2.99Å
447	I	86.4	Confident	84.9	Confident	75 Å²	75	103.2 Å²	103.2	39%	0.385	52%	0.521	S	S	.	.	H	α-helix	trans	-58	-39.4	172.7	-70.7	169.3	0	0	0	111.6	I443 K451	I443-I447 HydrophobicContact CG2-CD1 3.84Å; I443-I447 HydrophobicContact CG2-CG1 4.42Å; I443-I447 WeakPolarHBondContact O-CG1 3.35Å; I443-I447 PolarHBondContact O-N 2.9Å; I447-K451 HydrophobicContact CG2-CD 4.38Å; I447-K451 WeakPolarHBondContact O-CG 3.44Å; I447-K451 PolarHBondContact O-N 3.44Å; I447-K451 VanDerWaalsContact O-N 3.12Å
448	K	90.5	Very high	86.2	Confident	136 Å²	136	102.4 Å²	102.4	59%	0.591	52%	0.517	S	S	*	.	H	α-helix	trans	-66.9	-46.5	176.9	-171.8	175.9	178.9	-179.7	0	111.6	L444 K445 E446 L450 K451 D452	L444-K448 PolarHBondContact O-N 2.75Å; L444-K448 VanDerWaalsContact O-N 3.15Å; K445-K448 PolarHBondContact O-N 2.76Å; E446-K448 VanDerWaalsContact C-N 3.28Å; E446-K448 PolarHBondContact O-N 2.9Å; K448-L450 VanDerWaalsContact C-N 3.31Å; K448-L450 PolarHBondContact O-N 2.84Å; K448-K451 PolarHBondContact O-N 2.78Å; K448-D452 PolarHBondContact O-N 3.3Å
449	S	90.4	Very high	87.2	Confident	78 Å²	78	106.5 Å²	106.5	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-56.2	-43.9	175.8	-174.1	0	0	0	0	112.2	K445 E446 D452 L453	K445-S449 PolarHBondContact O-N 3.43Å; E446-S449 WeakPolarHBondContact O-CB 3.2Å; E446-S449 PolarHBondContact O-N 2.81Å; S449-D452 PolarHBondContact O-N 2.89Å; S449-L453 WeakPolarHBondContact O-CB 3.43Å; S449-L453 PolarHBondContact O-N 3.39Å
450	L	86	Confident	88	Confident	97 Å²	97	108.6 Å²	108.6	51%	0.508	53%	0.529	S	S	.	.	H	α-helix	trans	-64.8	-40	177.1	-71.1	169.7	0	0	0	112.6	E446 K448 L453 I454	E446-L450 HydrophobicContact CG-CD1 4.47Å; E446-L450 WeakPolarHBondContact O-CG 3.48Å; E446-L450 PolarHBondContact O-N 2.99Å; K448-L450 VanDerWaalsContact C-N 3.31Å; K448-L450 PolarHBondContact O-N 2.84Å; L450-L453 PolarHBondContact O-N 2.83Å; L450-I454 VanDerWaalsContact O-CG1 3.29Å; L450-I454 WeakPolarHBondContact O-CG1 3.29Å; L450-I454 PolarHBondContact O-N 2.73Å
451	K	90.1	Very high	88.9	Confident	142 Å²	142	107.2 Å²	107.2	62%	0.617	52%	0.523	S	S	*	.	H	α-helix	trans	-64.6	-42.6	175	-74.7	177.5	178.4	-176	0	112.4	I447 K448 L453 I454 S455	I447-K451 HydrophobicContact CG2-CD 4.38Å; I447-K451 WeakPolarHBondContact O-CG 3.44Å; I447-K451 PolarHBondContact O-N 3.44Å; I447-K451 VanDerWaalsContact O-N 3.12Å; K448-K451 PolarHBondContact O-N 2.78Å; K451-L453 VanDerWaalsContact C-N 3.33Å; K451-I454 PolarHBondContact O-N 2.64Å; K451-S455 PolarHBondContact O-N 3.25Å
452	D	90.4	Very high	89.4	Confident	99 Å²	99	105.9 Å²	105.9	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-38.5	177.1	-68.6	-25.5	0	0	0	111	K448 S449 S455 S456	K448-D452 PolarHBondContact O-N 3.3Å; S449-D452 PolarHBondContact O-N 2.89Å; D452-S455 PolarHBondContact O-N 2.89Å; D452-S456 PolarHBondContact O-N 2.92Å
453	L	90.9	Very high	89.6	Confident	87 Å²	87	105.8 Å²	105.8	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-47.1	174.4	-175.9	64.2	0	0	0	112.1	S449 L450 K451 S455 S456 Q457	S449-L453 WeakPolarHBondContact O-CB 3.43Å; S449-L453 PolarHBondContact O-N 3.39Å; L450-L453 PolarHBondContact O-N 2.83Å; K451-L453 VanDerWaalsContact C-N 3.33Å; L453-S455 PolarHBondContact O-N 2.79Å; L453-S456 WeakPolarHBondContact O-CB 3.14Å; L453-S456 PolarHBondContact O-N 2.85Å; L453-S456 VanDerWaalsContact O-N 3.13Å; L453-S456 PolarHBondContact O-OG 3.43Å; L453-Q457 WeakPolarHBondContact O-CG 3.25Å; L453-Q457 PolarHBondContact O-N 2.83Å
454	I	90.7	Very high	89.8	Confident	89 Å²	89	105.5 Å²	105.5	46%	0.456	52%	0.515	S	S	.	.	H	α-helix	trans	-57.8	-48.3	176.6	-70.7	164.7	0	0	0	110.5	L450 K451 S456 Q457 E458	L450-I454 VanDerWaalsContact O-CG1 3.29Å; L450-I454 WeakPolarHBondContact O-CG1 3.29Å; L450-I454 PolarHBondContact O-N 2.73Å; K451-I454 PolarHBondContact O-N 2.64Å; I454-S456 PolarHBondContact O-N 2.84Å; I454-Q457 WeakPolarHBondContact O-CB 3.36Å; I454-Q457 PolarHBondContact O-N 3.42Å; I454-E458 HydrophobicContact CG2-CG 4.45Å; I454-E458 PolarHBondContact O-N 2.83Å
455	S	90.8	Very high	90	Very high	41 Å²	41	106.4 Å²	106.4	29%	0.287	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-31.7	177.8	-171.7	0	0	0	0	112.8	K451 D452 L453 K459	K451-S455 PolarHBondContact O-N 3.25Å; D452-S455 PolarHBondContact O-N 2.89Å; L453-S455 PolarHBondContact O-N 2.79Å; S455-K459 WeakPolarHBondContact O-CD 3.48Å; S455-K459 WeakPolarHBondContact O-CG 3.4Å; S455-K459 PolarHBondContact O-N 2.88Å
456	S	90.3	Very high	89.9	Confident	61 Å²	61	104.8 Å²	104.8	43%	0.427	51%	0.511	S	S	.	.	H	α-helix	trans	-69.9	-35.8	173.8	84.6	0	0	0	0	112.3	D452 L453 I454 R460	D452-S456 PolarHBondContact O-N 2.92Å; L453-S456 WeakPolarHBondContact O-CB 3.14Å; L453-S456 PolarHBondContact O-N 2.85Å; L453-S456 VanDerWaalsContact O-N 3.13Å; L453-S456 PolarHBondContact O-OG 3.43Å; I454-S456 PolarHBondContact O-N 2.84Å; S456-R460 PolarHBondContact O-N 3Å
457	Q	90.1	Very high	89.7	Confident	104 Å²	104	103.9 Å²	103.9	49%	0.486	51%	0.507	S	S	.	.	H	α-helix	trans	-72.5	-43.7	178.4	-71.9	-179.6	-10.5	0	0	111.4	L453 I454 K459 R460 I461	L453-Q457 WeakPolarHBondContact O-CG 3.25Å; L453-Q457 PolarHBondContact O-N 2.83Å; I454-Q457 WeakPolarHBondContact O-CB 3.36Å; I454-Q457 PolarHBondContact O-N 3.42Å; Q457-K459 PolarHBondContact O-N 2.78Å; Q457-R460 CarbonylContact O-C 3.54Å; Q457-R460 WeakPolarHBondContact O-CA 3.31Å; Q457-R460 WeakPolarHBondContact O-CB 3.35Å; Q457-R460 PolarHBondContact O-N 2.72Å; Q457-I461 WeakPolarHBondContact O-CG1 3.41Å; Q457-I461 PolarHBondContact O-N 2.71Å
458	E	92.1	Very high	89.3	Confident	110 Å²	110	107.1 Å²	107.1	51%	0.514	52%	0.522	S	S	.	.	H	α-helix	trans	-54.5	-49.2	173.3	-70.7	175.5	153.6	0	0	111.7	I454 R460 I461 I462	I454-E458 HydrophobicContact CG2-CG 4.45Å; I454-E458 PolarHBondContact O-N 2.83Å; E458-R460 PolarHBondContact O-N 3.14Å; E458-I461 PolarHBondContact O-N 2.63Å; E458-I461 VanDerWaalsContact O-N 3.16Å; E458-I462 WeakPolarHBondContact O-CG1 3.22Å; E458-I462 PolarHBondContact O-N 3.06Å
459	K	91.1	Very high	88.8	Confident	140 Å²	140	104.2 Å²	104.2	61%	0.609	52%	0.519	S	S	*	.	H	α-helix	trans	-60.9	-32	176.2	-72.2	168.3	-175.9	159.9	0	112.9	S455 Q457 K463	S455-K459 WeakPolarHBondContact O-CD 3.48Å; S455-K459 WeakPolarHBondContact O-CG 3.4Å; S455-K459 PolarHBondContact O-N 2.88Å; Q457-K459 PolarHBondContact O-N 2.78Å; K459-K463 WeakPolarHBondContact O-CB 3.09Å; K459-K463 PolarHBondContact O-N 2.75Å
460	R	91.9	Very high	88.2	Confident	186 Å²	186	107.7 Å²	107.7	70%	0.702	52%	0.524	S	S	*	.	H	α-helix	trans	-75.4	-37.7	176.3	-173.6	172.9	179	162.9	-1.5	111.9	S456 Q457 E458 K463 L464	S456-R460 PolarHBondContact O-N 3Å; Q457-R460 CarbonylContact O-C 3.54Å; Q457-R460 WeakPolarHBondContact O-CA 3.31Å; Q457-R460 WeakPolarHBondContact O-CB 3.35Å; Q457-R460 PolarHBondContact O-N 2.72Å; E458-R460 PolarHBondContact O-N 3.14Å; R460-K463 PolarHBondContact O-N 3.26Å; R460-L464 HydrophobicContact CG-CD1 4.22Å; R460-L464 VanDerWaalsContact O-CG 3.29Å; R460-L464 WeakPolarHBondContact O-CG 2.98Å; R460-L464 PolarHBondContact O-N 2.88Å
461	I	92.5	Very high	87.6	Confident	91 Å²	91	109.1 Å²	109.1	47%	0.467	54%	0.537	S	S	.	.	H	α-helix	trans	-62.8	-53.5	174.9	-69.7	163.5	0	0	0	109.6	Q457 E458 K463 L464 E465	Q457-I461 WeakPolarHBondContact O-CG1 3.41Å; Q457-I461 PolarHBondContact O-N 2.71Å; E458-I461 PolarHBondContact O-N 2.63Å; E458-I461 VanDerWaalsContact O-N 3.16Å; I461-K463 VanDerWaalsContact C-N 3.25Å; I461-K463 PolarHBondContact O-N 2.85Å; I461-L464 WeakPolarHBondContact O-CA 3.29Å; I461-L464 WeakPolarHBondContact O-CB 3.12Å; I461-L464 PolarHBondContact O-N 3.24Å; I461-E465 HydrophobicContact CG2-CG 4.34Å; I461-E465 WeakPolarHBondContact O-CG 3.43Å; I461-E465 PolarHBondContact O-N 2.7Å
462	I	92.6	Very high	86	Confident	93 Å²	93	106.3 Å²	106.3	48%	0.477	54%	0.54	S	S	.	.	H	α-helix	trans	-53.8	-43.5	177.7	-66	164.3	0	0	0	111.2	E458 L464 E465 E466	E458-I462 WeakPolarHBondContact O-CG1 3.22Å; E458-I462 PolarHBondContact O-N 3.06Å; I462-L464 VanDerWaalsContact C-N 3.34Å; I462-L464 PolarHBondContact O-N 2.89Å; I462-E465 PolarHBondContact O-N 3.02Å; I462-E466 PolarHBondContact O-N 3.36Å
463	K	89.4	Confident	84.2	Confident	131 Å²	131	112.1 Å²	112.1	57%	0.57	57%	0.569	S	S	*	*	H	α-helix	trans	-67.3	-31.9	178.4	-170.8	173.1	-177.9	177.2	0	113.4	K459 R460 I461 Q467	K459-K463 WeakPolarHBondContact O-CB 3.09Å; K459-K463 PolarHBondContact O-N 2.75Å; R460-K463 PolarHBondContact O-N 3.26Å; I461-K463 VanDerWaalsContact C-N 3.25Å; I461-K463 PolarHBondContact O-N 2.85Å; K463-Q467 VanDerWaalsContact O-CG 3.32Å; K463-Q467 WeakPolarHBondContact O-CG 3.44Å; K463-Q467 PolarHBondContact O-N 3.2Å; K463-Q467 VanDerWaalsContact O-N 3.17Å
464	L	87.1	Confident	83.8	Confident	88 Å²	88	113.4 Å²	113.4	46%	0.461	58%	0.575	S	S	.	*	H	α-helix	trans	-74.6	-37.8	174.7	-73.2	166.8	0	0	0	111.3	R460 I461 I462 Q467 M468	R460-L464 HydrophobicContact CG-CD1 4.22Å; R460-L464 VanDerWaalsContact O-CG 3.29Å; R460-L464 WeakPolarHBondContact O-CG 2.98Å; R460-L464 PolarHBondContact O-N 2.88Å; I461-L464 WeakPolarHBondContact O-CA 3.29Å; I461-L464 WeakPolarHBondContact O-CB 3.12Å; I461-L464 PolarHBondContact O-N 3.24Å; I462-L464 VanDerWaalsContact C-N 3.34Å; I462-L464 PolarHBondContact O-N 2.89Å; L464-Q467 PolarHBondContact O-N 2.72Å; L464-M468 PolarHBondContact O-N 2.66Å
465	E	88	Confident	83.5	Confident	119 Å²	119	114.7 Å²	114.7	56%	0.556	58%	0.581	S	S	*	*	H	α-helix	trans	-63	-44	173.4	-68.6	171.2	161.7	0	0	111.3	I461 I462 Q467 M468 S469	I461-E465 HydrophobicContact CG2-CG 4.34Å; I461-E465 WeakPolarHBondContact O-CG 3.43Å; I461-E465 PolarHBondContact O-N 2.7Å; I462-E465 PolarHBondContact O-N 3.02Å; E465-Q467 VanDerWaalsContact C-N 3.28Å; E465-Q467 PolarHBondContact O-N 3.47Å; E465-M468 PolarHBondContact O-N 3.13Å; E465-S469 PolarHBondContact O-N 3.31Å
466	E	87.8	Confident	83.1	Confident	106 Å²	106	118.8 Å²	118.8	50%	0.495	60%	0.597	S	S	.	*	H	α-helix	trans	-62.4	-30.8	171.3	-77.9	-171.2	-179	0	0	113.8	I462 S469 K470	I462-E466 PolarHBondContact O-N 3.36Å; E466-S469 PolarHBondContact O-OG 2.89Å; E466-S469 VanDerWaalsContact O-OG 3.04Å; E466-K470 WeakPolarHBondContact O-CD 3.37Å; E466-K470 WeakPolarHBondContact O-CG 3.19Å
467	Q	84.9	Confident	82.6	Confident	108 Å²	108	122.2 Å²	122.2	51%	0.505	61%	0.607	S	S	.	*	H	α-helix	trans	-76.5	-40	175.8	-78.9	-178.1	-36.5	0	0	111.2	K463 L464 E465 K470 V471	K463-Q467 VanDerWaalsContact O-CG 3.32Å; K463-Q467 WeakPolarHBondContact O-CG 3.44Å; K463-Q467 PolarHBondContact O-N 3.2Å; K463-Q467 VanDerWaalsContact O-N 3.17Å; L464-Q467 PolarHBondContact O-N 2.72Å; E465-Q467 VanDerWaalsContact C-N 3.28Å; E465-Q467 PolarHBondContact O-N 3.47Å; Q467-K470 PolarHBondContact O-N 3.08Å; Q467-V471 WeakPolarHBondContact O-CG2 3.48Å; Q467-V471 PolarHBondContact O-N 3.29Å
468	M	78	Confident	82.2	Confident	144 Å²	144	123.3 Å²	123.3	71%	0.709	62%	0.615	S	S	*	*	H	α-helix	trans	-63.1	-40.5	173.9	-81.1	-172.4	55.7	0	0	112.4	L464 E465 K470 V471 A472	L464-M468 PolarHBondContact O-N 2.66Å; E465-M468 PolarHBondContact O-N 3.13Å; M468-K470 PolarHBondContact O-N 2.7Å; M468-V471 PolarHBondContact O-N 3.41Å; M468-V471 VanDerWaalsContact O-N 3.09Å; M468-A472 PolarHBondContact O-N 3.3Å
469	S	80.6	Confident	81.5	Confident	75 Å²	75	124.2 Å²	124.2	52%	0.524	62%	0.622	S	S	.	*	H	α-helix	trans	-63	-25.5	178.4	71	0	0	0	0	113.4	E465 E466	E465-S469 PolarHBondContact O-N 3.31Å; E466-S469 PolarHBondContact O-OG 2.89Å; E466-S469 VanDerWaalsContact O-OG 3.04Å
470	K	77.2	Confident	80.8	Confident	150 Å²	150	123.1 Å²	123.1	65%	0.652	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-9.8	176.9	-69.6	169.2	-174.4	161.8	0	114.4	E466 Q467 M468	E466-K470 WeakPolarHBondContact O-CD 3.37Å; E466-K470 WeakPolarHBondContact O-CG 3.19Å; Q467-K470 PolarHBondContact O-N 3.08Å; M468-K470 PolarHBondContact O-N 2.7Å
471	V	72.1	Confident	80	Confident	127 Å²	127	118.2 Å²	118.2	77%	0.77	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-6.4	176.5	177.6	0	0	0	0	111.4	Q467 M468	Q467-V471 WeakPolarHBondContact O-CG2 3.48Å; Q467-V471 PolarHBondContact O-N 3.29Å; M468-V471 PolarHBondContact O-N 3.41Å; M468-V471 VanDerWaalsContact O-N 3.09Å
472	A	58.1	Low	78.9	Confident	84 Å²	84	120.5 Å²	120.5	69%	0.694	63%	0.629	S	S	*	*			trans	-95.6	25.8	-177.3	0	0	0	0	0	114.5	M468	M468-A472 PolarHBondContact O-N 3.3Å
473	I	51.3	Low	77.7	Confident	221 Å²	221	123 Å²	123	100%	1.133	64%	0.643	S	S	*	*			trans	-125	0	174.9	-58.1	179.8	0	0	0	109.1

Retrieved 473 of 473 residues in 560.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).