A0A087XAZ1_POEFO Loading...

PR domain containing 1b, with ZNF domain

AlphaFold DB , UniProt , Accession A0A087XAZ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 719 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.9	Very low	44.8	Very low	249 Å²	249	118.4 Å²	118.4	100%	1.227	57%	0.567	S	S	*	*				0	105.7	0	-80.9	176.7	-176.2	0	0	107.8
2	S	31.3	Very low	45.2	Very low	110 Å²	110	119.1 Å²	119.1	77%	0.769	58%	0.575	S	S	*	*			trans	-73.3	128.5	177.4	177.9	0	0	0	0	109.6	Y4	S2-Y4 PolarHBondContact O-N 3.43Å
3	K	36.3	Very low	46	Very low	198 Å²	198	115.6 Å²	115.6	86%	0.861	57%	0.565	S	S	*	*			trans	-71	111.2	170.3	-81.3	177.9	175.5	175.1	0	107.2	R5	K3-R5 PolarHBondContact O-N 2.87Å; K3-R5 VanDerWaalsContact O-N 3.09Å
4	Y	41.2	Very low	47.2	Very low	185 Å²	185	120 Å²	120	73%	0.725	58%	0.58	S	S	*	*			trans	-50.3	116.2	170.2	-68.3	-85.1	0	0	0	109.8	S2 A6	S2-Y4 PolarHBondContact O-N 3.43Å; Y4-A6 PolarHBondContact O-N 2.88Å
5	R	47	Very low	48.5	Very low	179 Å²	179	124 Å²	124	68%	0.675	60%	0.597	S	S	*	*			trans	-64.2	128.9	167.6	-88.5	-173.9	177.2	171.8	6	107.3	K3 F7 D9	K3-R5 PolarHBondContact O-N 2.87Å; K3-R5 VanDerWaalsContact O-N 3.09Å; R5-F7 PolarHBondContact O-N 3.21Å; R5-D9 IonicContact CZ-OD1 3.02Å; R5-D9 VanDerWaalsContact NH1-CG 3.34Å; R5-D9 IonicContact NH1-OD1 2.64Å; R5-D9 PolarHBondContact NH1-OD1 3.41Å; R5-D9 IonicContact NH1-OD2 2.89Å; R5-D9 PolarHBondContact NH1-OD2 3.27Å; R5-D9 VanDerWaalsContact NH1-OD2 3.15Å
6	A	47.1	Very low	50.7	Low	49 Å²	49	120.2 Å²	120.2	41%	0.405	58%	0.577	S	S	.	*	S	Bend	trans	-65.8	-21.9	-176.6	0	0	0	0	0	113.1	Y4 F152	Y4-A6 PolarHBondContact O-N 2.88Å; A6-F152 HydrophobicContact CB-CD1 4.42Å; A6-F152 HydrophobicContact CB-CE1 4.27Å; A6-F152 PolarHBondContact O-N 2.89Å
7	F	53.7	Low	52.7	Low	103 Å²	103	120.8 Å²	120.8	45%	0.452	58%	0.579	S	S	.	*	S	Bend	trans	-136.9	138.4	179.3	-62.4	-83.2	0	0	0	110.1	R5 Y11 I151 F152	R5-F7 PolarHBondContact O-N 3.21Å; F7-Y11 HydrophobicContact CB-CD2 4.44Å; F7-Y11 HydrophobicContact CD1-CD2 4.48Å; F7-Y11 HydrophobicContact CD1-CE2 4.21Å; F7-I151 HydrophobicContact CD1-CG2 4.17Å; F7-I151 HydrophobicContact CE1-CG2 4.19Å; F7-F152 HydrophobicContact CE1-CE2 4.06Å; F7-F152 AromaticContact CE1-CZ 3.91Å; F7-F152 HydrophobicContact CE1-CZ 3.91Å; F7-F152 HydrophobicContact CE2-CE1 4.31Å; F7-F152 HydrophobicContact CE2-CZ 4.09Å; F7-F152 HydrophobicContact CZ-CE1 4.05Å; F7-F152 HydrophobicContact CZ-CE2 4.02Å; F7-F152 AromaticContact CZ-CZ 3.4Å; F7-F152 HydrophobicContact CZ-CZ 3.4Å
8	P	55.8	Low	54.7	Low	13 Å²	13	119.2 Å²	119.2	8%	0.084	57%	0.571	C	S	.	*			trans	-65.1	158.9	169.2	25.1	-30	0	0	0	110.7	A10 F142 I151	P8-A10 HydrophobicContact CB-CB 4.29Å; P8-A10 HydrophobicContact CG-CB 4.06Å; P8-A10 PolarHBondContact O-N 2.82Å; P8-F142 HydrophobicContact CB-CE1 4.02Å; P8-F142 HydrophobicContact CB-CZ 4.44Å; P8-F142 HydrophobicContact CG-CE1 4.27Å; P8-F142 HydrophobicContact CG-CZ 4.2Å; P8-I151 HydrophobicContact CG-CG1 4.25Å
9	D	55.4	Low	56.5	Low	88 Å²	88	114.1 Å²	114.1	47%	0.471	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-63	0	179.7	-67	-14.8	0	0	0	113.7	R5 Y11 L12	R5-D9 IonicContact CZ-OD1 3.02Å; R5-D9 VanDerWaalsContact NH1-CG 3.34Å; R5-D9 IonicContact NH1-OD1 2.64Å; R5-D9 PolarHBondContact NH1-OD1 3.41Å; R5-D9 IonicContact NH1-OD2 2.89Å; R5-D9 PolarHBondContact NH1-OD2 3.27Å; R5-D9 VanDerWaalsContact NH1-OD2 3.15Å; D9-Y11 PolarHBondContact O-N 2.9Å; D9-L12 HydrophobicContact CB-CD1 4.38Å; D9-L12 PolarHBondContact O-N 2.78Å
10	A	52.8	Low	58.3	Low	14 Å²	14	111.7 Å²	111.7	12%	0.116	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-45.8	-22.6	171	0	0	0	0	0	115.7	P8 V140 V141 F142	P8-A10 HydrophobicContact CB-CB 4.29Å; P8-A10 HydrophobicContact CG-CB 4.06Å; P8-A10 PolarHBondContact O-N 2.82Å; A10-V140 HydrophobicContact CB-CG1 3.85Å; A10-V141 VanDerWaalsContact CA-O 3.28Å; A10-V141 WeakPolarHBondContact CA-O 3.36Å; A10-V141 WeakPolarHBondContact CB-O 3.48Å; A10-V141 VanDerWaalsContact O-O 3.12Å; A10-F142 HydrophobicContact CB-CD1 4.11Å; A10-F142 HydrophobicContact CB-CE1 3.89Å; A10-F142 HydrophobicContact CB-CZ 4.12Å
11	Y	45.8	Very low	59.9	Low	114 Å²	114	110.1 Å²	110.1	45%	0.447	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-106	-1.2	-178.8	-64.2	-72.5	0	0	0	114.6	F7 D9	F7-Y11 HydrophobicContact CB-CD2 4.44Å; F7-Y11 HydrophobicContact CD1-CD2 4.48Å; F7-Y11 HydrophobicContact CD1-CE2 4.21Å; D9-Y11 PolarHBondContact O-N 2.9Å
12	L	50.4	Low	63.1	Low	127 Å²	127	98.6 Å²	98.6	67%	0.665	48%	0.477	S	S	*	.			trans	-102.5	-9.8	-165.5	-68.9	172.7	0	0	0	115.4	D9 K14	D9-L12 HydrophobicContact CB-CD1 4.38Å; D9-L12 PolarHBondContact O-N 2.78Å; L12-K14 PolarHBondContact O-N 2.86Å
13	T	55.8	Low	66	Low	74 Å²	74	94.9 Å²	94.9	45%	0.454	45%	0.45	S	S	.	.			trans	-81.8	104.8	179.5	60.7	0	0	0	0	110.1	R143	T13-R143 PolarHBondContact OG1-NH1 2.92Å
14	K	61.8	Low	68.7	Low	177 Å²	177	86 Å²	86	77%	0.77	41%	0.411	S	S	*	.			trans	-57.6	143.6	162.4	-71.5	-180	179.8	174.5	0	108.6	L12 K16	L12-K14 PolarHBondContact O-N 2.86Å; K14-K16 PolarHBondContact O-N 2.83Å
15	E	67.8	Low	71.1	Confident	180 Å²	180	77.3 Å²	77.3	84%	0.841	38%	0.377	S	S	*	.			trans	-60.2	128.8	167.8	-74.3	-177.6	169.3	0	0	108.8
16	K	82.6	Confident	73.2	Confident	63 Å²	63	68.9 Å²	68.9	27%	0.274	35%	0.346	S	S	.	.			trans	-114.6	157.7	179.2	-65.8	-73.2	-170.4	132.1	0	109	K14 H18 D343 E345 V369	K14-K16 PolarHBondContact O-N 2.83Å; K16-H18 PolarHBondContact O-N 2.8Å; K16-H18 PolarHBondContact O-ND1 3.21Å; K16-D343 VanDerWaalsContact CE-OD2 3.26Å; K16-D343 WeakPolarHBondContact CE-OD2 3.47Å; K16-D343 IonicContact NZ-OD1 2.65Å; K16-D343 PolarHBondContact NZ-OD1 2.87Å; K16-D343 IonicContact NZ-OD2 3.69Å; K16-D343 PolarHBondContact NZ-OD2 2.81Å; K16-E345 IonicContact NZ-OE2 3.39Å; K16-E345 PolarHBondContact NZ-OE2 3.29Å; K16-V369 HydrophobicContact CB-CG1 4.45Å; K16-V369 HydrophobicContact CB-CG2 3.67Å; K16-V369 HydrophobicContact CG-CG2 4.41Å
17	E	84.7	Confident	75.3	Confident	130 Å²	130	67 Å²	67	61%	0.607	33%	0.329	S	S	*	.			trans	-77.7	116.1	174.8	-168.4	-178.1	-168.2	0	0	109.6	H368 R395	E17-H368 PolarHBondContact O-CD2 3.34Å; E17-H368 IonicContact OE1-NE2 3.79Å; E17-R395 IonicContact OE2-NH1 3.93Å; E17-R395 PolarHBondContact OE2-NH1 2.65Å
18	H	88.6	Confident	77.2	Confident	93 Å²	93	62.1 Å²	62.1	43%	0.431	31%	0.307	S	S	.	.			trans	-97.2	137.1	173.1	-66.3	87	0	0	0	110.7	K16 V124 D370	K16-H18 PolarHBondContact O-N 2.8Å; K16-H18 PolarHBondContact O-ND1 3.21Å; H18-V124 VanDerWaalsContact NE2-CG2 3.31Å; H18-V124 WeakPolarHBondContact NE2-CG2 3.5Å; H18-D370 IonicContact CD2-OD2 3.16Å; H18-D370 IonicContact CE1-OD2 3.2Å; H18-D370 IonicContact NE2-OD2 3.49Å; H18-D370 PolarHBondContact NE2-OD2 2.64Å
19	G	90.6	Very high	79	Confident	22 Å²	22	62 Å²	62	23%	0.227	31%	0.305	C	S	.	.			trans	-90.4	-167.7	176.9	0	0	0	0	0	113.2	L21 S372	G19-L21 PolarHBondContact O-N 2.91Å; G19-S372 PolarHBondContact N-OG 2.96Å
20	K	92.5	Very high	80.8	Confident	66 Å²	66	57.9 Å²	57.9	29%	0.287	28%	0.283	S	S	.	.			trans	-54.2	135.4	171	-177.7	-161.7	67.6	-173.5	0	110.8	G296 C298 G373	K20-G296 WeakPolarHBondContact CE-O 3.37Å; K20-G296 PolarHBondContact NZ-O 2.92Å; K20-C298 PolarHBondContact NZ-SG 3.21Å; K20-G373 PolarHBondContact O-N 3.26Å
21	L	91.9	Very high	82.5	Confident	79 Å²	79	58.1 Å²	58.1	41%	0.414	28%	0.282	S	S	.	.			trans	-66.4	147.4	174.6	-62.4	175.3	0	0	0	111.4	G19 P23 D121	G19-L21 PolarHBondContact O-N 2.91Å; L21-P23 WeakPolarHBondContact O-CD 3.48Å; L21-D121 HydrophobicContact CB-CB 4.49Å
22	N	92.4	Very high	84.4	Confident	6 Å²	6	54.2 Å²	54.2	3%	0.032	27%	0.269	C	S	.	.			trans	-117	86.3	176.7	-65.7	-58.1	0	0	0	109	F371 G373 Q375	N22-F371 PolarHBondContact ND2-O 2.68Å; N22-G373 PolarHBondContact ND2-O 3.37Å; N22-G373 VanDerWaalsContact ND2-O 3.13Å; N22-G373 PolarHBondContact OD1-O 2.82Å; N22-Q375 VanDerWaalsContact CG-NE2 3.3Å; N22-Q375 PolarHBondContact OD1-NE2 2.99Å
23	P	92.7	Very high	85.8	Confident	32 Å²	32	53.8 Å²	53.8	21%	0.208	26%	0.258	C	S	.	.			trans	-67	152.2	-179.2	-20.2	34.9	0	0	0	112.2	L21 D121 R293	L21-P23 WeakPolarHBondContact O-CD 3.48Å; P23-D121 HydrophobicContact CB-CB 4.41Å; P23-D121 HydrophobicContact CG-CB 4.47Å; P23-R293 WeakPolarHBondContact CG-O 3.37Å
24	R	92	Very high	87	Confident	11 Å²	11	52.9 Å²	52.9	4%	0.042	25%	0.253	C	S	.	.			trans	-119.2	148.5	178.2	-68	-174.2	60.8	-155.1	-6.2	109.2	R65 R117 R120 Y122 G210 E211 E285	R24-R65 VanDerWaalsContact CZ-CD 3.49Å; R24-R117 PolarHBondContact O-NH1 2.93Å; R24-R117 PolarHBondContact O-NH2 3.12Å; R24-R120 PolarHBondContact N-O 2.83Å; R24-Y122 VanDerWaalsContact CD-OH 3.31Å; R24-Y122 WeakPolarHBondContact CD-OH 3.47Å; R24-Y122 HydrophobicContact CG-CE2 4.46Å; R24-Y122 PolarHBondContact NH1-OH 2.88Å; R24-G210 PolarHBondContact NH1-O 3.36Å; R24-E211 PolarHBondContact NH1-O 3.06Å; R24-E211 PolarHBondContact NH2-O 2.99Å; R24-E285 VanDerWaalsContact CB-OE1 3.26Å; R24-E285 WeakPolarHBondContact CB-OE1 3.31Å; R24-E285 WeakPolarHBondContact CG-OE1 3.4Å; R24-E285 IonicContact CZ-OE1 2.75Å; R24-E285 IonicContact CZ-OE2 3.15Å; R24-E285 VanDerWaalsContact NE-CD 3.32Å; R24-E285 IonicContact NE-OE1 2.79Å; R24-E285 PolarHBondContact NE-OE1 2.91Å; R24-E285 IonicContact NE-OE2 2.73Å; R24-E285 PolarHBondContact NE-OE2 3.21Å; R24-E285 IonicContact NH2-OE1 3.18Å; R24-E285 PolarHBondContact NH2-OE1 2.78Å; R24-E285 IonicContact NH2-OE2 3.84Å; R24-E285 PolarHBondContact NH2-OE2 2.97Å
25	P	91.5	Very high	87.6	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.019	24%	0.24	C	C	.	.			trans	-72.5	150.1	176.1	25.1	-28.8	0	0	0	111.2	R65 E285 Y289	P25-R65 VanDerWaalsContact CG-NH1 3.31Å; P25-R65 WeakPolarHBondContact O-CD 3.33Å; P25-E285 WeakPolarHBondContact CD-OE1 3.49Å; P25-E285 HydrophobicContact CG-CG 4.3Å; P25-Y289 WeakPolarHBondContact CD-OH 3.44Å; P25-Y289 HydrophobicContact CG-CE1 4.04Å; P25-Y289 HydrophobicContact CG-CE2 3.89Å
26	G	90.8	Very high	88.3	Confident	2 Å²	2	40 Å²	40	2%	0.021	21%	0.209	C	C	.	.			trans	-85.2	147.4	-176.6	0	0	0	0	0	111	R44 R117	G26-R44 WeakPolarHBondContact O-CA 3.24Å; G26-R117 VanDerWaalsContact N-CZ 3.28Å
27	K	92.3	Very high	87.8	Confident	11 Å²	11	40.2 Å²	40.2	5%	0.048	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	129.3	169.3	-164.1	173.7	-170	-177.7	0	113.3	Y29 E42 I43 V64 R65 E215	K27-Y29 VanDerWaalsContact CE-CZ 3.46Å; K27-Y29 WeakPolarHBondContact CE-OH 3.46Å; K27-Y29 PolarHBondContact NZ-OH 2.91Å; K27-E42 WeakPolarHBondContact CE-OE1 3.45Å; K27-E42 IonicContact NZ-OE1 3.67Å; K27-I43 WeakPolarHBondContact CA-O 3.45Å; K27-V64 HydrophobicContact CB-CB 4.06Å; K27-V64 HydrophobicContact CB-CG1 4.41Å; K27-V64 HydrophobicContact CD-CB 4.43Å; K27-V64 HydrophobicContact CD-CG1 4.34Å; K27-V64 HydrophobicContact CG-CB 4.24Å; K27-V64 PolarHBondContact O-N 2.94Å; K27-R65 PolarHBondContact N-O 2.9Å; K27-R65 PolarHBondContact O-N 2.81Å; K27-E215 VanDerWaalsContact CD-OE2 3.25Å; K27-E215 WeakPolarHBondContact CD-OE2 3.3Å; K27-E215 WeakPolarHBondContact CE-OE2 3.26Å; K27-E215 VanDerWaalsContact NZ-CD 3.26Å; K27-E215 IonicContact NZ-OE1 2.79Å; K27-E215 PolarHBondContact NZ-OE1 3.36Å; K27-E215 IonicContact NZ-OE2 2.81Å; K27-E215 PolarHBondContact NZ-OE2 2.76Å
28	I	93.9	Very high	87.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.2	174.7	-175	178.1	0	0	0	109.8	I43 I61 R62 V63 W68 L83	I28-I43 HydrophobicContact CG2-CB 3.62Å; I28-I43 HydrophobicContact CG2-CD1 4.08Å; I28-I43 HydrophobicContact CG2-CG1 4.49Å; I28-I43 HydrophobicContact CG2-CG2 4.02Å; I28-I43 PolarHBondContact N-O 2.77Å; I28-I43 PolarHBondContact O-N 2.9Å; I28-I61 HydrophobicContact CD1-CG2 3.6Å; I28-I61 HydrophobicContact CG1-CG2 3.69Å; I28-R62 WeakPolarHBondContact CA-O 3.39Å; I28-V63 HydrophobicContact CD1-CG2 3.87Å; I28-V63 HydrophobicContact CG1-CG2 4.02Å; I28-W68 HydrophobicContact CB-CD2 4.24Å; I28-W68 HydrophobicContact CB-CG 4.47Å; I28-W68 HydrophobicContact CB-CZ2 4.31Å; I28-W68 HydrophobicContact CD1-CB 4.2Å; I28-W68 HydrophobicContact CD1-CD2 4.41Å; I28-W68 HydrophobicContact CD1-CG 4.1Å; I28-W68 HydrophobicContact CG2-CD2 3.87Å; I28-W68 HydrophobicContact CG2-CE3 4Å; I28-W68 HydrophobicContact CG2-CH2 3.94Å; I28-W68 HydrophobicContact CG2-CZ2 3.83Å; I28-W68 HydrophobicContact CG2-CZ3 4.03Å; I28-L83 HydrophobicContact CD1-CD1 3.81Å
29	Y	92.4	Very high	87.4	Confident	11 Å²	11	39 Å²	39	4%	0.043	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.1	170.3	-64	-68.9	0	0	0	110.3	K27 R40 M41 E42 I61 R62 V64 E215	K27-Y29 VanDerWaalsContact CE-CZ 3.46Å; K27-Y29 WeakPolarHBondContact CE-OH 3.46Å; K27-Y29 PolarHBondContact NZ-OH 2.91Å; Y29-R40 HydrophobicContact CD1-CG 3.8Å; Y29-R40 HydrophobicContact CE1-CG 4.5Å; Y29-R40 HydrophobicContact CG-CG 4.34Å; Y29-M41 VanDerWaalsContact CA-O 3.28Å; Y29-M41 WeakPolarHBondContact CA-O 3.3Å; Y29-E42 HydrophobicContact CD1-CB 3.9Å; Y29-E42 HydrophobicContact CD1-CG 3.98Å; Y29-E42 HydrophobicContact CE1-CB 3.83Å; Y29-E42 HydrophobicContact CE1-CG 3.61Å; Y29-E42 WeakPolarHBondContact CE1-OE2 3.41Å; Y29-I61 CarbonylContact O-C 3.48Å; Y29-I61 WeakPolarHBondContact O-CA 3.37Å; Y29-I61 WeakPolarHBondContact O-CG2 3.3Å; Y29-R62 HydrophobicContact CD2-CB 4.47Å; Y29-R62 HydrophobicContact CD2-CG 4.44Å; Y29-R62 PolarHBondContact N-O 3.09Å; Y29-R62 PolarHBondContact O-N 2.6Å; Y29-V64 HydrophobicContact CD2-CG2 3.62Å; Y29-V64 HydrophobicContact CE2-CG2 3.62Å; Y29-E215 WeakPolarHBondContact CE2-OE1 3.42Å; Y29-E215 PolarHBondContact OH-OE1 2.99Å
30	I	93.3	Very high	87.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.9	170.8	-62.2	176.1	0	0	0	107.9	M41 I43 W53 L55 I59 I61 I112 I115	I30-M41 HydrophobicContact CB-CE 3.86Å; I30-M41 HydrophobicContact CG2-CE 3.63Å; I30-M41 PolarHBondContact N-O 2.89Å; I30-M41 PolarHBondContact O-N 2.89Å; I30-I43 HydrophobicContact CD1-CD1 3.59Å; I30-I43 HydrophobicContact CG1-CD1 4.07Å; I30-W53 HydrophobicContact CD1-CZ3 3.78Å; I30-L55 HydrophobicContact CG2-CD2 4.26Å; I30-I59 HydrophobicContact CG2-CD1 4.1Å; I30-I61 HydrophobicContact CG1-CD1 4.39Å; I30-I61 HydrophobicContact CG1-CG1 4.16Å; I30-I61 HydrophobicContact CG1-CG2 4.25Å; I30-I61 HydrophobicContact CG2-CG1 4.5Å; I30-I112 HydrophobicContact CD1-CD1 3.98Å; I30-I115 HydrophobicContact CD1-CD1 3.58Å
31	F	88.7	Confident	87.3	Confident	20 Å²	20	42.7 Å²	42.7	9%	0.088	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.1	177.2	-64.5	-95.1	0	0	0	108	R33 M36 C37 R39 R40 I59 S60 R62	F31-R33 PolarHBondContact O-N 2.9Å; F31-R33 VanDerWaalsContact O-N 3.1Å; F31-M36 HydrophobicContact CD1-CB 4.42Å; F31-M36 VanDerWaalsContact CD1-O 3.25Å; F31-M36 WeakPolarHBondContact CD1-O 3.46Å; F31-M36 HydrophobicContact CD2-CB 4.2Å; F31-M36 HydrophobicContact CD2-CG 4.46Å; F31-M36 HydrophobicContact CD2-SD 3.39Å; F31-M36 WeakPolarHBondContact CD2-SD 3.37Å; F31-M36 HydrophobicContact CE1-CB 4.33Å; F31-M36 VanDerWaalsContact CE1-O 3.27Å; F31-M36 WeakPolarHBondContact CE1-O 3.14Å; F31-M36 HydrophobicContact CE2-CB 4.13Å; F31-M36 HydrophobicContact CE2-CG 4.39Å; F31-M36 HydrophobicContact CE2-SD 3.4Å; F31-M36 WeakPolarHBondContact CE2-SD 3.43Å; F31-M36 HydrophobicContact CG-CB 4.34Å; F31-M36 HydrophobicContact CG-SD 4.3Å; F31-M36 HydrophobicContact CZ-CB 4.19Å; F31-M36 HydrophobicContact CZ-SD 4.31Å; F31-C37 WeakPolarHBondContact CB-O 3.42Å; F31-R39 WeakPolarHBondContact CA-O 3.15Å; F31-R40 HydrophobicContact CD1-CB 3.97Å; F31-R40 HydrophobicContact CD1-CG 4.11Å; F31-R40 HydrophobicContact CE1-CB 3.78Å; F31-R40 HydrophobicContact CE1-CG 3.63Å; F31-R40 HydrophobicContact CE2-CG 4.35Å; F31-R40 HydrophobicContact CZ-CB 4.43Å; F31-R40 HydrophobicContact CZ-CG 3.77Å; F31-I59 VanDerWaalsContact O-CB 3.29Å; F31-I59 WeakPolarHBondContact O-CB 3.39Å; F31-S60 WeakPolarHBondContact CB-O 3.15Å; F31-S60 PolarHBondContact N-O 3.12Å; F31-S60 PolarHBondContact O-N 3.49Å; F31-R62 HydrophobicContact CE2-CB 4.44Å
32	D	86	Confident	87.3	Confident	32 Å²	32	42.5 Å²	42.5	17%	0.171	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-3.7	-177.7	67.1	-10.4	0	0	0	114.3	G38 R39 L55 Q56	D32-G38 VanDerWaalsContact OD1-CA 3.28Å; D32-G38 WeakPolarHBondContact OD1-CA 3.42Å; D32-R39 HydrophobicContact CB-CB 4.46Å; D32-R39 VanDerWaalsContact CG-N 3.34Å; D32-R39 PolarHBondContact N-O 3.31Å; D32-R39 VanDerWaalsContact N-O 3.14Å; D32-R39 PolarHBondContact OD1-N 2.85Å; D32-R39 WeakPolarHBondContact OD2-CB 3.46Å; D32-R39 PolarHBondContact OD2-N 3.36Å; D32-L55 HydrophobicContact CB-CD2 4.21Å; D32-Q56 VanDerWaalsContact O-CB 3.26Å; D32-Q56 WeakPolarHBondContact O-CB 3.07Å; D32-Q56 VanDerWaalsContact O-CG 3.31Å; D32-Q56 WeakPolarHBondContact O-CG 3.5Å; D32-Q56 PolarHBondContact O-N 3.37Å
33	R	80.6	Confident	87.4	Confident	117 Å²	117	42.8 Å²	42.8	44%	0.442	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.5	178.8	-63.4	-167.4	-74	-153.8	1.2	111.8	F31 C37 G38 Q56 S60	F31-R33 PolarHBondContact O-N 2.9Å; F31-R33 VanDerWaalsContact O-N 3.1Å; R33-C37 HydrophobicContact CB-CB 4.45Å; R33-G38 VanDerWaalsContact NH2-CA 3.26Å; R33-Q56 HydrophobicContact CG-CG 4.26Å; R33-S60 PolarHBondContact O-OG 3.26Å
34	P	80.1	Confident	87.4	Confident	55 Å²	55	44 Å²	44	36%	0.357	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	164.3	174.8	26	-34.8	0	0	0	112.5	M36 T58 S60	P34-M36 VanDerWaalsContact C-N 3.33Å; P34-M36 PolarHBondContact O-N 2.7Å; P34-T58 HydrophobicContact CB-CG2 4Å; P34-T58 WeakPolarHBondContact CD-O 3.25Å; P34-T58 HydrophobicContact CG-CG2 4.45Å; P34-S60 VanDerWaalsContact C-OG 3.28Å; P34-S60 VanDerWaalsContact CA-OG 3.25Å; P34-S60 WeakPolarHBondContact CA-OG 3.47Å
35	G	74.3	Confident	87.4	Confident	48 Å²	48	45 Å²	45	50%	0.495	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	27.1	-178.1	0	0	0	0	0	114.7	C37 S60 E89	G35-C37 VanDerWaalsContact C-N 3.25Å; G35-C37 PolarHBondContact O-N 2.85Å; G35-C37 PolarHBondContact O-SG 2.86Å; G35-S60 PolarHBondContact N-OG 3.32Å; G35-E89 PolarHBondContact N-OE1 2.9Å
36	M	82.2	Confident	87.5	Confident	38 Å²	38	48.1 Å²	48.1	19%	0.187	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	38.8	-179.1	-57	-72.8	172.9	0	0	112.8	F31 P34 S60 I61 R62 D87	F31-M36 HydrophobicContact CD1-CB 4.42Å; F31-M36 VanDerWaalsContact CD1-O 3.25Å; F31-M36 WeakPolarHBondContact CD1-O 3.46Å; F31-M36 HydrophobicContact CD2-CB 4.2Å; F31-M36 HydrophobicContact CD2-CG 4.46Å; F31-M36 HydrophobicContact CD2-SD 3.39Å; F31-M36 WeakPolarHBondContact CD2-SD 3.37Å; F31-M36 HydrophobicContact CE1-CB 4.33Å; F31-M36 VanDerWaalsContact CE1-O 3.27Å; F31-M36 WeakPolarHBondContact CE1-O 3.14Å; F31-M36 HydrophobicContact CE2-CB 4.13Å; F31-M36 HydrophobicContact CE2-CG 4.39Å; F31-M36 HydrophobicContact CE2-SD 3.4Å; F31-M36 WeakPolarHBondContact CE2-SD 3.43Å; F31-M36 HydrophobicContact CG-CB 4.34Å; F31-M36 HydrophobicContact CG-SD 4.3Å; F31-M36 HydrophobicContact CZ-CB 4.19Å; F31-M36 HydrophobicContact CZ-SD 4.31Å; P34-M36 VanDerWaalsContact C-N 3.33Å; P34-M36 PolarHBondContact O-N 2.7Å; M36-S60 PolarHBondContact N-OG 3.35Å; M36-S60 VanDerWaalsContact SD-CB 3.6Å; M36-I61 WeakPolarHBondContact CE-O 3.44Å; M36-R62 HydrophobicContact CE-CB 3.99Å; M36-R62 HydrophobicContact SD-CB 3.99Å; M36-D87 HydrophobicContact CE-CB 3.42Å; M36-D87 VanDerWaalsContact CE-CB 3.42Å; M36-D87 WeakPolarHBondContact CE-OD1 3.41Å
37	C	71.9	Confident	87.8	Confident	68 Å²	68	49.5 Å²	49.5	46%	0.459	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	167.7	-173.9	-75	0	0	0	0	112.3	F31 R33 G35	F31-C37 WeakPolarHBondContact CB-O 3.42Å; R33-C37 HydrophobicContact CB-CB 4.45Å; G35-C37 VanDerWaalsContact C-N 3.25Å; G35-C37 PolarHBondContact O-N 2.85Å; G35-C37 PolarHBondContact O-SG 2.86Å
38	G	79.8	Confident	88	Confident	36 Å²	36	53.5 Å²	53.5	37%	0.371	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.3	-150.9	176	0	0	0	0	0	115.2	D32 R33 R40	D32-G38 VanDerWaalsContact OD1-CA 3.28Å; D32-G38 WeakPolarHBondContact OD1-CA 3.42Å; R33-G38 VanDerWaalsContact NH2-CA 3.26Å; G38-R40 PolarHBondContact O-N 3.31Å
39	R	85.3	Confident	88.1	Confident	161 Å²	161	57.5 Å²	57.5	61%	0.608	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	122.3	-179.8	-173.8	-178.1	175.5	-178.9	-2.8	108.4	F31 D32	F31-R39 WeakPolarHBondContact CA-O 3.15Å; D32-R39 HydrophobicContact CB-CB 4.46Å; D32-R39 VanDerWaalsContact CG-N 3.34Å; D32-R39 PolarHBondContact N-O 3.31Å; D32-R39 VanDerWaalsContact N-O 3.14Å; D32-R39 PolarHBondContact OD1-N 2.85Å; D32-R39 WeakPolarHBondContact OD2-CB 3.46Å; D32-R39 PolarHBondContact OD2-N 3.36Å
40	R	89.3	Confident	88.2	Confident	138 Å²	138	57 Å²	57	52%	0.521	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.4	175.5	-174.4	-173.7	69.9	166.2	2.8	110.3	Y29 F31 G38	Y29-R40 HydrophobicContact CD1-CG 3.8Å; Y29-R40 HydrophobicContact CE1-CG 4.5Å; Y29-R40 HydrophobicContact CG-CG 4.34Å; F31-R40 HydrophobicContact CD1-CB 3.97Å; F31-R40 HydrophobicContact CD1-CG 4.11Å; F31-R40 HydrophobicContact CE1-CB 3.78Å; F31-R40 HydrophobicContact CE1-CG 3.63Å; F31-R40 HydrophobicContact CE2-CG 4.35Å; F31-R40 HydrophobicContact CZ-CB 4.43Å; F31-R40 HydrophobicContact CZ-CG 3.77Å; G38-R40 PolarHBondContact O-N 3.31Å
41	M	91.7	Very high	88.1	Confident	28 Å²	28	60.4 Å²	60.4	14%	0.138	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.7	168.8	-58.3	-177.5	-62.6	0	0	109	Y29 I30 W53 L55	Y29-M41 VanDerWaalsContact CA-O 3.28Å; Y29-M41 WeakPolarHBondContact CA-O 3.3Å; I30-M41 HydrophobicContact CB-CE 3.86Å; I30-M41 HydrophobicContact CG2-CE 3.63Å; I30-M41 PolarHBondContact N-O 2.89Å; I30-M41 PolarHBondContact O-N 2.89Å; M41-W53 HydrophobicContact CE-CD2 3.85Å; M41-W53 HydrophobicContact CE-CE3 3.39Å; M41-W53 HydrophobicContact CE-CG 4.35Å; M41-W53 HydrophobicContact CE-CZ3 3.88Å; M41-W53 HydrophobicContact SD-CB 4.45Å; M41-W53 HydrophobicContact SD-CD2 3.79Å; M41-W53 HydrophobicContact SD-CE3 3.97Å; M41-W53 HydrophobicContact SD-CG 4.02Å; M41-L55 HydrophobicContact CE-CD2 3.77Å
42	E	93.1	Very high	88.2	Confident	75 Å²	75	64.1 Å²	64.1	35%	0.35	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.7	178.1	-175.9	-176.8	137	0	0	109.1	K27 Y29 R44	K27-E42 WeakPolarHBondContact CE-OE1 3.45Å; K27-E42 IonicContact NZ-OE1 3.67Å; Y29-E42 HydrophobicContact CD1-CB 3.9Å; Y29-E42 HydrophobicContact CD1-CG 3.98Å; Y29-E42 HydrophobicContact CE1-CB 3.83Å; Y29-E42 HydrophobicContact CE1-CG 3.61Å; Y29-E42 WeakPolarHBondContact CE1-OE2 3.41Å; E42-R44 IonicContact OE1-CZ 3.99Å; E42-R44 IonicContact OE1-NE 2.99Å; E42-R44 PolarHBondContact OE1-NE 3.36Å; E42-R44 IonicContact OE1-NH2 3.02Å; E42-R44 PolarHBondContact OE1-NH2 3.26Å
43	I	94.6	Very high	88.4	Confident	12 Å²	12	65.4 Å²	65.4	6%	0.062	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.8	-176.7	-58.4	138.8	0	0	0	108	K27 I28 I30 G45 V47 W53 W68 I115	K27-I43 WeakPolarHBondContact CA-O 3.45Å; I28-I43 HydrophobicContact CG2-CB 3.62Å; I28-I43 HydrophobicContact CG2-CD1 4.08Å; I28-I43 HydrophobicContact CG2-CG1 4.49Å; I28-I43 HydrophobicContact CG2-CG2 4.02Å; I28-I43 PolarHBondContact N-O 2.77Å; I28-I43 PolarHBondContact O-N 2.9Å; I30-I43 HydrophobicContact CD1-CD1 3.59Å; I30-I43 HydrophobicContact CG1-CD1 4.07Å; I43-G45 WeakPolarHBondContact CG2-O 3.27Å; I43-V47 HydrophobicContact CG1-CG2 4.45Å; I43-V47 HydrophobicContact CG2-CG2 3.73Å; I43-W53 HydrophobicContact CD1-CH2 3.48Å; I43-W53 VanDerWaalsContact CD1-CH2 3.48Å; I43-W53 HydrophobicContact CD1-CZ3 3.91Å; I43-W53 HydrophobicContact CG1-CH2 3.91Å; I43-W68 HydrophobicContact CG2-CH2 4.04Å; I43-W68 HydrophobicContact CG2-CZ3 3.95Å; I43-I115 HydrophobicContact CD1-CD1 3.89Å
44	R	91.5	Very high	88.7	Confident	58 Å²	58	67 Å²	67	22%	0.219	36%	0.363	C	S	.	.			trans	-119.6	-10.6	-175.7	-62.9	-176.9	176.3	-120.5	2.4	114.2	G26 E42 G287	G26-R44 WeakPolarHBondContact O-CA 3.24Å; E42-R44 IonicContact OE1-CZ 3.99Å; E42-R44 IonicContact OE1-NE 2.99Å; E42-R44 PolarHBondContact OE1-NE 3.36Å; E42-R44 IonicContact OE1-NH2 3.02Å; E42-R44 PolarHBondContact OE1-NH2 3.26Å; R44-G287 VanDerWaalsContact NH1-CA 3.26Å
45	G	91.7	Very high	89	Confident	33 Å²	33	65 Å²	65	34%	0.34	35%	0.349	S	S	.	.	S	Bend	trans	-155.1	-169.2	178.9	0	0	0	0	0	111.3	I43 W68	I43-G45 WeakPolarHBondContact CG2-O 3.27Å; G45-W68 WeakPolarHBondContact O-CZ3 3.38Å
46	D	95.1	Very high	89.4	Confident	68 Å²	68	67.1 Å²	67.1	36%	0.364	35%	0.347	S	S	.	.			trans	-66.5	138.7	-175	-59	-24.4	0	0	0	111.9	F76 I115 R116 R117 R120	D46-F76 HydrophobicContact CB-CE1 4.49Å; D46-F76 HydrophobicContact CB-CZ 3.96Å; D46-I115 CarbonylContact C-O 3.27Å; D46-I115 WeakPolarHBondContact CA-O 3.47Å; D46-R116 WeakPolarHBondContact OD1-CA 3.37Å; D46-R117 PolarHBondContact OD1-N 2.7Å; D46-R120 IonicContact OD2-NH2 3.11Å
47	V	96.5	Very high	89.6	Confident	31 Å²	31	69 Å²	69	19%	0.188	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-116.2	107.8	174.8	-178.1	0	0	0	0	108.2	I43 D49 A50 W53 S114 I115	I43-V47 HydrophobicContact CG1-CG2 4.45Å; I43-V47 HydrophobicContact CG2-CG2 3.73Å; V47-D49 VanDerWaalsContact C-N 3.33Å; V47-D49 PolarHBondContact O-N 3Å; V47-A50 HydrophobicContact CG1-CB 4.05Å; V47-W53 HydrophobicContact CG1-CH2 4.34Å; V47-W53 HydrophobicContact CG1-CZ2 3.95Å; V47-W53 HydrophobicContact CG2-CH2 4.31Å; V47-W53 HydrophobicContact CG2-CZ2 4.35Å; V47-S114 WeakPolarHBondContact O-CA 3.44Å; V47-S114 WeakPolarHBondContact O-CB 3.43Å; V47-I115 HydrophobicContact CB-CB 4.2Å; V47-I115 PolarHBondContact N-O 2.85Å; V47-I115 PolarHBondContact O-N 3.24Å
48	M	96.3	Very high	90.4	Very high	94 Å²	94	67 Å²	67	46%	0.463	34%	0.343	S	S	.	.	S	Bend	trans	-68.9	-29.6	-176.6	-63.1	-61.9	-60.6	0	0	113.3	N75 F76 S114	M48-N75 HydrophobicContact CE-CB 4.17Å; M48-N75 VanDerWaalsContact CE-OD1 3.28Å; M48-N75 WeakPolarHBondContact CE-OD1 3.43Å; M48-N75 PolarHBondContact O-N 2.67Å; M48-F76 HydrophobicContact CE-CD2 4.41Å; M48-F76 HydrophobicContact CE-CE2 3.81Å; M48-F76 HydrophobicContact CE-CZ 4.26Å; M48-F76 HydrophobicContact SD-CD2 4.35Å; M48-F76 HydrophobicContact SD-CE1 4.32Å; M48-F76 HydrophobicContact SD-CE2 3.27Å; M48-F76 WeakPolarHBondContact SD-CE2 3.28Å; M48-F76 HydrophobicContact SD-CZ 3.25Å; M48-F76 WeakPolarHBondContact SD-CZ 3.41Å; M48-S114 WeakPolarHBondContact O-CB 2.94Å
49	D	96.3	Very high	90.9	Very high	84 Å²	84	65.2 Å²	65.2	45%	0.449	33%	0.325	S	S	.	.			trans	-147.8	114.7	178.9	-168.6	-14.6	0	0	0	110.4	V47 T51 P74 G113	V47-D49 VanDerWaalsContact C-N 3.33Å; V47-D49 PolarHBondContact O-N 3Å; D49-T51 WeakPolarHBondContact OD1-CB 3.42Å; D49-T51 WeakPolarHBondContact OD1-CG2 3.33Å; D49-T51 PolarHBondContact OD1-N 2.84Å; D49-T51 PolarHBondContact OD1-OG1 2.85Å; D49-P74 HydrophobicContact CB-CB 4.3Å; D49-G113 CarbonylContact C-O 3.52Å; D49-G113 WeakPolarHBondContact CA-O 3.49Å
50	A	94.6	Very high	91.1	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	30%	0.296	C	S	.	.			trans	-112.9	8.2	178.4	0	0	0	0	0	112.4	V47 S52 W53 I112 G113	V47-A50 HydrophobicContact CG1-CB 4.05Å; A50-S52 PolarHBondContact O-N 3.08Å; A50-S52 VanDerWaalsContact O-N 3.12Å; A50-W53 HydrophobicContact CB-CD2 3.77Å; A50-W53 HydrophobicContact CB-CE3 3.81Å; A50-W53 HydrophobicContact CB-CG 4.4Å; A50-W53 HydrophobicContact CB-CH2 3.98Å; A50-W53 HydrophobicContact CB-CZ2 3.94Å; A50-W53 HydrophobicContact CB-CZ3 3.91Å; A50-W53 VanDerWaalsContact O-CB 3.31Å; A50-W53 WeakPolarHBondContact O-CB 3.41Å; A50-W53 VanDerWaalsContact O-CG 3.24Å; A50-W53 PolarHBondContact O-N 2.88Å; A50-I112 CarbonylContact C-O 3.53Å; A50-I112 HydrophobicContact CB-CB 4.17Å; A50-I112 HydrophobicContact CB-CG2 3.95Å; A50-I112 WeakPolarHBondContact CB-O 3.41Å; A50-G113 PolarHBondContact N-O 3.17Å
51	T	91.5	Very high	91.3	Very high	71 Å²	71	51 Å²	51	44%	0.436	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19	-172.9	56.9	0	0	0	0	114.1	D49 W53 P74 I112	D49-T51 WeakPolarHBondContact OD1-CB 3.42Å; D49-T51 WeakPolarHBondContact OD1-CG2 3.33Å; D49-T51 PolarHBondContact OD1-N 2.84Å; D49-T51 PolarHBondContact OD1-OG1 2.85Å; T51-W53 PolarHBondContact O-N 3.05Å; T51-P74 HydrophobicContact CG2-CG 3.65Å; T51-I112 PolarHBondContact N-O 2.58Å
52	S	90.4	Very high	91.3	Very high	98 Å²	98	51.3 Å²	51.3	69%	0.685	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-5.6	175.2	61.1	0	0	0	0	113.9	A50	A50-S52 PolarHBondContact O-N 3.08Å; A50-S52 VanDerWaalsContact O-N 3.12Å
53	W	89.8	Confident	91.3	Very high	60 Å²	60	48 Å²	48	23%	0.227	26%	0.255	C	S	.	.			trans	-77.8	129.9	-177	-63	-0.4	0	0	0	111.3	I30 M41 I43 V47 A50 T51 L55 I112 I115	I30-W53 HydrophobicContact CD1-CZ3 3.78Å; M41-W53 HydrophobicContact CE-CD2 3.85Å; M41-W53 HydrophobicContact CE-CE3 3.39Å; M41-W53 HydrophobicContact CE-CG 4.35Å; M41-W53 HydrophobicContact CE-CZ3 3.88Å; M41-W53 HydrophobicContact SD-CB 4.45Å; M41-W53 HydrophobicContact SD-CD2 3.79Å; M41-W53 HydrophobicContact SD-CE3 3.97Å; M41-W53 HydrophobicContact SD-CG 4.02Å; I43-W53 HydrophobicContact CD1-CH2 3.48Å; I43-W53 VanDerWaalsContact CD1-CH2 3.48Å; I43-W53 HydrophobicContact CD1-CZ3 3.91Å; I43-W53 HydrophobicContact CG1-CH2 3.91Å; V47-W53 HydrophobicContact CG1-CH2 4.34Å; V47-W53 HydrophobicContact CG1-CZ2 3.95Å; V47-W53 HydrophobicContact CG2-CH2 4.31Å; V47-W53 HydrophobicContact CG2-CZ2 4.35Å; A50-W53 HydrophobicContact CB-CD2 3.77Å; A50-W53 HydrophobicContact CB-CE3 3.81Å; A50-W53 HydrophobicContact CB-CG 4.4Å; A50-W53 HydrophobicContact CB-CH2 3.98Å; A50-W53 HydrophobicContact CB-CZ2 3.94Å; A50-W53 HydrophobicContact CB-CZ3 3.91Å; A50-W53 VanDerWaalsContact O-CB 3.31Å; A50-W53 WeakPolarHBondContact O-CB 3.41Å; A50-W53 VanDerWaalsContact O-CG 3.24Å; A50-W53 PolarHBondContact O-N 2.88Å; T51-W53 PolarHBondContact O-N 3.05Å; W53-L55 HydrophobicContact CB-CG 4.35Å; W53-L55 PolarHBondContact O-N 2.88Å; W53-I112 HydrophobicContact CE3-CD1 4.43Å; W53-I112 HydrophobicContact CZ3-CD1 4.44Å; W53-I115 HydrophobicContact CH2-CD1 3.66Å; W53-I115 HydrophobicContact CZ3-CD1 3.51Å
54	E	85.8	Confident	91.1	Very high	150 Å²	150	47.5 Å²	47.5	70%	0.701	25%	0.253	S	S	*	.			trans	-89.2	107.9	176.7	-62.8	-177.8	162.8	0	0	109.2
55	L	86.4	Confident	91	Very high	13 Å²	13	44.7 Å²	44.7	7%	0.068	24%	0.243	C	C	.	.			trans	-122.4	145.4	-177.3	-61.5	175.1	0	0	0	110.2	I30 D32 M41 W53 I59 F110 I112	I30-L55 HydrophobicContact CG2-CD2 4.26Å; D32-L55 HydrophobicContact CB-CD2 4.21Å; M41-L55 HydrophobicContact CE-CD2 3.77Å; W53-L55 HydrophobicContact CB-CG 4.35Å; W53-L55 PolarHBondContact O-N 2.88Å; L55-I59 HydrophobicContact CB-CG2 3.96Å; L55-I59 HydrophobicContact CD1-CD1 4.4Å; L55-I59 HydrophobicContact CD2-CG2 4.16Å; L55-I59 HydrophobicContact CG-CG2 4.43Å; L55-F110 HydrophobicContact CB-CB 3.91Å; L55-F110 HydrophobicContact CD1-CD1 3.73Å; L55-F110 HydrophobicContact CD1-CE1 4.4Å; L55-F110 HydrophobicContact CD1-CG 4.4Å; L55-I112 HydrophobicContact CD1-CD1 3.75Å; L55-I112 HydrophobicContact CD1-CG1 3.93Å
56	Q	84.2	Confident	90.9	Very high	93 Å²	93	43.1 Å²	43.1	44%	0.435	23%	0.227	S	C	.	.			trans	-72.5	172.7	168.5	-63	-160.3	-24.6	0	0	110.9	D32 R33 T58 F110	D32-Q56 VanDerWaalsContact O-CB 3.26Å; D32-Q56 WeakPolarHBondContact O-CB 3.07Å; D32-Q56 VanDerWaalsContact O-CG 3.31Å; D32-Q56 WeakPolarHBondContact O-CG 3.5Å; D32-Q56 PolarHBondContact O-N 3.37Å; R33-Q56 HydrophobicContact CG-CG 4.26Å; Q56-T58 VanDerWaalsContact C-N 3.28Å; Q56-T58 PolarHBondContact O-N 2.82Å; Q56-F110 WeakPolarHBondContact O-CB 3.39Å
57	D	85.1	Confident	90.7	Very high	78 Å²	78	39.9 Å²	39.9	42%	0.417	21%	0.209	S	C	.	.	S	Bend	trans	-57.5	-38.9	176.7	53.6	-17.8	0	0	0	113.1	T91 C92	D57-T91 WeakPolarHBondContact O-CA 3.41Å; D57-C92 PolarHBondContact O-N 2.84Å; D57-C92 PolarHBondContact O-SG 2.92Å
58	T	88.8	Confident	90.7	Very high	24 Å²	24	38.4 Å²	38.4	15%	0.147	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.2	171	-55	0	0	0	0	111	P34 Q56 L90 T91	P34-T58 HydrophobicContact CB-CG2 4Å; P34-T58 WeakPolarHBondContact CD-O 3.25Å; P34-T58 HydrophobicContact CG-CG2 4.45Å; Q56-T58 VanDerWaalsContact C-N 3.28Å; Q56-T58 PolarHBondContact O-N 2.82Å; T58-L90 WeakPolarHBondContact CA-O 3.4Å; T58-T91 WeakPolarHBondContact CG2-OG1 3.34Å; T58-T91 WeakPolarHBondContact OG1-CG2 3.48Å; T58-T91 PolarHBondContact OG1-OG1 2.91Å
59	I	90.6	Very high	90.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	154.8	175.9	67.3	173.5	0	0	0	110.6	I30 F31 L55 I61 E89 L90 F110 I112	I30-I59 HydrophobicContact CG2-CD1 4.1Å; F31-I59 VanDerWaalsContact O-CB 3.29Å; F31-I59 WeakPolarHBondContact O-CB 3.39Å; L55-I59 HydrophobicContact CB-CG2 3.96Å; L55-I59 HydrophobicContact CD1-CD1 4.4Å; L55-I59 HydrophobicContact CD2-CG2 4.16Å; L55-I59 HydrophobicContact CG-CG2 4.43Å; I59-I61 HydrophobicContact CD1-CD1 3.91Å; I59-I61 HydrophobicContact CD1-CG1 4Å; I59-I61 HydrophobicContact CG1-CG1 4.26Å; I59-E89 WeakPolarHBondContact O-CA 3.33Å; I59-L90 HydrophobicContact CG1-CB 4.22Å; I59-L90 PolarHBondContact N-O 3.38Å; I59-L90 PolarHBondContact O-N 2.93Å; I59-F110 HydrophobicContact CD1-CD1 3.94Å; I59-F110 HydrophobicContact CD1-CD2 4.13Å; I59-F110 HydrophobicContact CD1-CE1 3.45Å; I59-F110 VanDerWaalsContact CD1-CE1 3.45Å; I59-F110 HydrophobicContact CD1-CE2 3.63Å; I59-F110 HydrophobicContact CD1-CG 4.28Å; I59-F110 HydrophobicContact CD1-CZ 3.28Å; I59-F110 HydrophobicContact CG1-CD2 3.95Å; I59-F110 HydrophobicContact CG1-CE1 4.27Å; I59-F110 HydrophobicContact CG1-CE2 3.5Å; I59-F110 HydrophobicContact CG1-CZ 3.7Å; I59-F110 HydrophobicContact CG2-CD2 4.16Å; I59-F110 HydrophobicContact CG2-CG 4.25Å; I59-I112 HydrophobicContact CD1-CD1 4.21Å
60	S	90.7	Very high	90.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.7	166.1	-60.4	0	0	0	0	110.4	F31 R33 P34 G35 M36 V88 E89	F31-S60 WeakPolarHBondContact CB-O 3.15Å; F31-S60 PolarHBondContact N-O 3.12Å; F31-S60 PolarHBondContact O-N 3.49Å; R33-S60 PolarHBondContact O-OG 3.26Å; P34-S60 VanDerWaalsContact C-OG 3.28Å; P34-S60 VanDerWaalsContact CA-OG 3.25Å; P34-S60 WeakPolarHBondContact CA-OG 3.47Å; G35-S60 PolarHBondContact N-OG 3.32Å; M36-S60 PolarHBondContact N-OG 3.35Å; M36-S60 VanDerWaalsContact SD-CB 3.6Å; S60-V88 WeakPolarHBondContact CA-O 3.31Å; S60-E89 PolarHBondContact OG-OE1 3.12Å
61	I	93.5	Very high	90.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.8	176.9	-55.7	-176	0	0	0	108.4	I28 Y29 I30 M36 I59 V63 L70 L83 D87 V88 L90	I28-I61 HydrophobicContact CD1-CG2 3.6Å; I28-I61 HydrophobicContact CG1-CG2 3.69Å; Y29-I61 CarbonylContact O-C 3.48Å; Y29-I61 WeakPolarHBondContact O-CA 3.37Å; Y29-I61 WeakPolarHBondContact O-CG2 3.3Å; I30-I61 HydrophobicContact CG1-CD1 4.39Å; I30-I61 HydrophobicContact CG1-CG1 4.16Å; I30-I61 HydrophobicContact CG1-CG2 4.25Å; I30-I61 HydrophobicContact CG2-CG1 4.5Å; M36-I61 WeakPolarHBondContact CE-O 3.44Å; I59-I61 HydrophobicContact CD1-CD1 3.91Å; I59-I61 HydrophobicContact CD1-CG1 4Å; I59-I61 HydrophobicContact CG1-CG1 4.26Å; I61-V63 HydrophobicContact CG2-CG2 4.27Å; I61-L70 HydrophobicContact CD1-CD1 3.71Å; I61-L83 HydrophobicContact CD1-CD1 4.07Å; I61-L83 HydrophobicContact CG2-CD1 4.1Å; I61-D87 WeakPolarHBondContact O-CA 3.48Å; I61-V88 HydrophobicContact CB-CG1 3.73Å; I61-V88 HydrophobicContact CG2-CG1 4.35Å; I61-V88 PolarHBondContact N-O 3.45Å; I61-V88 PolarHBondContact O-N 2.8Å; I61-L90 HydrophobicContact CD1-CD1 3.7Å
62	R	91.6	Very high	90.7	Very high	35 Å²	35	29.6 Å²	29.6	13%	0.132	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	108.1	169.3	174.3	171	-66.7	161.3	2.3	109.2	I28 Y29 F31 M36 V64 G86 D87	I28-R62 WeakPolarHBondContact CA-O 3.39Å; Y29-R62 HydrophobicContact CD2-CB 4.47Å; Y29-R62 HydrophobicContact CD2-CG 4.44Å; Y29-R62 PolarHBondContact N-O 3.09Å; Y29-R62 PolarHBondContact O-N 2.6Å; F31-R62 HydrophobicContact CE2-CB 4.44Å; M36-R62 HydrophobicContact CE-CB 3.99Å; M36-R62 HydrophobicContact SD-CB 3.99Å; R62-V64 HydrophobicContact CG-CG2 3.9Å; R62-V64 PolarHBondContact O-N 3.14Å; R62-G86 CarbonylContact C-O 3.59Å; R62-G86 WeakPolarHBondContact CA-O 3.2Å; R62-D87 WeakPolarHBondContact CB-OD1 3.28Å; R62-D87 WeakPolarHBondContact CG-OD1 3.41Å; R62-D87 IonicContact CZ-OD1 2.77Å; R62-D87 IonicContact CZ-OD2 3.81Å; R62-D87 IonicContact NE-OD1 2.68Å; R62-D87 PolarHBondContact NE-OD1 3Å; R62-D87 IonicContact NE-OD2 2.67Å; R62-D87 PolarHBondContact NE-OD2 2.65Å; R62-D87 IonicContact NH2-OD1 2.65Å; R62-D87 IonicContact NH2-OD2 3.32Å; R62-D87 PolarHBondContact NH2-OD2 3.32Å
63	V	92.6	Very high	90.9	Very high	4 Å²	4	30 Å²	30	2%	0.024	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	108	168.5	-177.1	0	0	0	0	107.6	I28 I61 G66 L83 D84 E85 G86	I28-V63 HydrophobicContact CD1-CG2 3.87Å; I28-V63 HydrophobicContact CG1-CG2 4.02Å; I61-V63 HydrophobicContact CG2-CG2 4.27Å; V63-G66 WeakPolarHBondContact CG1-O 3.36Å; V63-L83 HydrophobicContact CG2-CB 3.67Å; V63-L83 HydrophobicContact CG2-CD1 4.33Å; V63-D84 VanDerWaalsContact CB-O 3.24Å; V63-D84 WeakPolarHBondContact CB-O 3.19Å; V63-D84 WeakPolarHBondContact CG2-O 3.37Å; V63-E85 HydrophobicContact CG1-CG 4.15Å; V63-G86 PolarHBondContact N-O 3.43Å; V63-G86 PolarHBondContact O-N 2.65Å
64	V	89.2	Confident	91.2	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-37.9	179.7	176.3	0	0	0	0	110.5	K27 Y29 R62	K27-V64 HydrophobicContact CB-CB 4.06Å; K27-V64 HydrophobicContact CB-CG1 4.41Å; K27-V64 HydrophobicContact CD-CB 4.43Å; K27-V64 HydrophobicContact CD-CG1 4.34Å; K27-V64 HydrophobicContact CG-CB 4.24Å; K27-V64 PolarHBondContact O-N 2.94Å; Y29-V64 HydrophobicContact CD2-CG2 3.62Å; Y29-V64 HydrophobicContact CE2-CG2 3.62Å; R62-V64 HydrophobicContact CG-CG2 3.9Å; R62-V64 PolarHBondContact O-N 3.14Å
65	R	90.6	Very high	91.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	133.3	-176.2	-156.4	174.4	-53.6	147.4	0.1	114.3	R24 P25 K27 W68 E85 V209 R213 E285 E286	R24-R65 VanDerWaalsContact CZ-CD 3.49Å; P25-R65 VanDerWaalsContact CG-NH1 3.31Å; P25-R65 WeakPolarHBondContact O-CD 3.33Å; K27-R65 PolarHBondContact N-O 2.9Å; K27-R65 PolarHBondContact O-N 2.81Å; R65-W68 PolarHBondContact O-NE1 3Å; R65-E85 WeakPolarHBondContact CA-OE1 3.18Å; R65-V209 HydrophobicContact CG-CG1 4.25Å; R65-R213 PolarHBondContact NH2-O 2.83Å; R65-E285 WeakPolarHBondContact CD-OE1 3.45Å; R65-E285 IonicContact CZ-OE1 2.78Å; R65-E285 IonicContact CZ-OE2 3.39Å; R65-E285 IonicContact NE-OE1 3.77Å; R65-E285 PolarHBondContact NE-OE1 2.74Å; R65-E285 IonicContact NE-OE2 2.65Å; R65-E285 PolarHBondContact NE-OE2 2.79Å; R65-E285 IonicContact NH1-OE1 3.54Å; R65-E285 PolarHBondContact NH1-OE1 3.26Å; R65-E285 IonicContact NH1-OE2 2.74Å; R65-E285 PolarHBondContact NH1-OE2 2.96Å; R65-E285 IonicContact NH2-OE2 2.76Å; R65-E285 PolarHBondContact NH2-OE2 3.13Å; R65-E286 PolarHBondContact NH1-O 2.9Å
66	G	89.1	Confident	92.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	79.7	164.9	179.9	0	0	0	0	0	113.3	V63 W68 E85	V63-G66 WeakPolarHBondContact CG1-O 3.36Å; G66-W68 PolarHBondContact O-NE1 2.7Å; G66-E85 PolarHBondContact N-OE1 2.86Å
67	G	91.8	Very high	92.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.			trans	-86.1	134.2	173.1	0	0	0	0	0	111.7	A118 V119	G67-A118 PolarHBondContact O-N 3.49Å; G67-V119 PolarHBondContact O-N 3.49Å; G67-V119 VanDerWaalsContact O-N 3.16Å
68	W	95.3	Very high	92.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	155.8	-176.2	-65.7	79.6	0	0	0	112	I28 I43 G45 R65 G66 A82 L83 I115 R116 R117	I28-W68 HydrophobicContact CB-CD2 4.24Å; I28-W68 HydrophobicContact CB-CG 4.47Å; I28-W68 HydrophobicContact CB-CZ2 4.31Å; I28-W68 HydrophobicContact CD1-CB 4.2Å; I28-W68 HydrophobicContact CD1-CD2 4.41Å; I28-W68 HydrophobicContact CD1-CG 4.1Å; I28-W68 HydrophobicContact CG2-CD2 3.87Å; I28-W68 HydrophobicContact CG2-CE3 4Å; I28-W68 HydrophobicContact CG2-CH2 3.94Å; I28-W68 HydrophobicContact CG2-CZ2 3.83Å; I28-W68 HydrophobicContact CG2-CZ3 4.03Å; I43-W68 HydrophobicContact CG2-CH2 4.04Å; I43-W68 HydrophobicContact CG2-CZ3 3.95Å; G45-W68 WeakPolarHBondContact O-CZ3 3.38Å; R65-W68 PolarHBondContact O-NE1 3Å; G66-W68 PolarHBondContact O-NE1 2.7Å; W68-A82 CarbonylContact O-C 3.5Å; W68-A82 WeakPolarHBondContact O-CA 3.38Å; W68-L83 HydrophobicContact CB-CB 4.33Å; W68-L83 HydrophobicContact CB-CD1 4.46Å; W68-L83 PolarHBondContact N-O 2.94Å; W68-L83 PolarHBondContact O-N 3.07Å; W68-I115 HydrophobicContact CE3-CG2 3.58Å; W68-I115 HydrophobicContact CZ3-CG2 3.97Å; W68-R116 CarbonylContact C-O 3.57Å; W68-R116 WeakPolarHBondContact CA-O 3.31Å; W68-R117 HydrophobicContact CD2-CB 4.25Å; W68-R117 HydrophobicContact CD2-CG 4.39Å; W68-R117 HydrophobicContact CE3-CB 3.96Å; W68-R117 HydrophobicContact CH2-CB 4.05Å; W68-R117 HydrophobicContact CH2-CG 4.46Å; W68-R117 HydrophobicContact CZ2-CB 4.29Å; W68-R117 HydrophobicContact CZ2-CG 4.22Å; W68-R117 HydrophobicContact CZ3-CB 3.87Å
69	V	95.6	Very high	92.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.9	173.8	-173.3	0	0	0	0	109.3	Y71 K80 I81 I115 R116 A118 L167	V69-Y71 HydrophobicContact CB-CD2 4.41Å; V69-Y71 HydrophobicContact CB-CE2 3.67Å; V69-Y71 HydrophobicContact CG1-CD2 4.02Å; V69-Y71 HydrophobicContact CG1-CE1 4.07Å; V69-Y71 HydrophobicContact CG1-CE2 3.51Å; V69-Y71 HydrophobicContact CG1-CG 4.49Å; V69-K80 HydrophobicContact CG1-CB 3.95Å; V69-K80 HydrophobicContact CG1-CD 4.37Å; V69-K80 HydrophobicContact CG1-CG 4.43Å; V69-I81 CarbonylContact C-O 3.6Å; V69-I81 VanDerWaalsContact CA-O 3.29Å; V69-I81 WeakPolarHBondContact CA-O 3.48Å; V69-I115 WeakPolarHBondContact O-CA 3.31Å; V69-R116 PolarHBondContact N-O 3.25Å; V69-R116 PolarHBondContact O-N 3.15Å; V69-A118 HydrophobicContact CG2-CB 3.98Å; V69-L167 HydrophobicContact CG2-CD1 3.33Å
70	L	95.6	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.6	165.6	-51.3	-178.4	0	0	0	109	I61 K80 I81 L83 L90 I112 I115	I61-L70 HydrophobicContact CD1-CD1 3.71Å; L70-K80 CarbonylContact O-C 3.43Å; L70-K80 VanDerWaalsContact O-CA 3.32Å; L70-K80 WeakPolarHBondContact O-CA 3.16Å; L70-I81 HydrophobicContact CB-CB 4.31Å; L70-I81 PolarHBondContact N-O 3.02Å; L70-I81 PolarHBondContact O-N 3.36Å; L70-L83 HydrophobicContact CD1-CD1 3.94Å; L70-L83 HydrophobicContact CD2-CD1 3.96Å; L70-L83 HydrophobicContact CG-CD1 3.68Å; L70-L83 HydrophobicContact CG-CG 4.34Å; L70-L90 HydrophobicContact CD1-CD1 3.95Å; L70-I112 HydrophobicContact CD1-CD1 4.33Å; L70-I112 HydrophobicContact CD2-CD1 4.48Å; L70-I112 HydrophobicContact CD2-CG2 4.37Å; L70-I115 HydrophobicContact CD2-CB 4.31Å; L70-I115 HydrophobicContact CD2-CD1 3.62Å; L70-I115 HydrophobicContact CD2-CG1 3.59Å; L70-I115 HydrophobicContact CD2-CG2 4.04Å
71	Y	94.8	Very high	93	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.8	176.4	-62.9	-98.7	0	0	0	110	V69 K73 F76 E79 K80 G113 S114 R116 E184	V69-Y71 HydrophobicContact CB-CD2 4.41Å; V69-Y71 HydrophobicContact CB-CE2 3.67Å; V69-Y71 HydrophobicContact CG1-CD2 4.02Å; V69-Y71 HydrophobicContact CG1-CE1 4.07Å; V69-Y71 HydrophobicContact CG1-CE2 3.51Å; V69-Y71 HydrophobicContact CG1-CG 4.49Å; Y71-K73 VanDerWaalsContact C-N 3.26Å; Y71-K73 PolarHBondContact O-N 2.76Å; Y71-F76 HydrophobicContact CD1-CB 4.14Å; Y71-F76 WeakPolarHBondContact CD1-O 3.49Å; Y71-F76 HydrophobicContact CD2-CB 4.04Å; Y71-F76 AromaticContact CD2-CD1 3.88Å; Y71-F76 HydrophobicContact CD2-CD1 3.88Å; Y71-F76 HydrophobicContact CD2-CG 4.44Å; Y71-F76 HydrophobicContact CE1-CB 3.93Å; Y71-F76 WeakPolarHBondContact CE1-O 3.21Å; Y71-F76 HydrophobicContact CE2-CB 3.84Å; Y71-F76 AromaticContact CE2-CD1 3.85Å; Y71-F76 HydrophobicContact CE2-CD1 3.85Å; Y71-F76 HydrophobicContact CE2-CG 4.22Å; Y71-F76 HydrophobicContact CG-CB 4.19Å; Y71-E79 WeakPolarHBondContact CA-O 3.19Å; Y71-K80 HydrophobicContact CD1-CD 4.23Å; Y71-K80 HydrophobicContact CD1-CG 3.79Å; Y71-K80 HydrophobicContact CE1-CD 3.69Å; Y71-K80 HydrophobicContact CE1-CG 3.79Å; Y71-G113 WeakPolarHBondContact O-CA 3.4Å; Y71-G113 PolarHBondContact O-N 2.84Å; Y71-S114 WeakPolarHBondContact CB-OG 3.36Å; Y71-S114 PolarHBondContact N-O 2.94Å; Y71-S114 PolarHBondContact O-N 3.11Å; Y71-R116 HydrophobicContact CE2-CB 3.69Å; Y71-E184 PolarHBondContact OH-OE1 3.34Å
72	E	93.2	Very high	93.1	Very high	61 Å²	61	38.4 Å²	38.4	29%	0.285	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	-39.3	176.3	-176.8	-156.8	163.5	0	0	112.1	E79 F94 G113	E72-E79 HydrophobicContact CB-CB 4.19Å; E72-E79 PolarHBondContact N-O 3.41Å; E72-E79 PolarHBondContact OE2-N 3.3Å; E72-E79 VanDerWaalsContact OE2-N 3.11Å; E72-F94 HydrophobicContact CB-CD1 3.89Å; E72-F94 HydrophobicContact CB-CD2 4.14Å; E72-F94 HydrophobicContact CB-CE1 4.04Å; E72-F94 HydrophobicContact CB-CE2 4.29Å; E72-F94 HydrophobicContact CB-CG 3.93Å; E72-F94 HydrophobicContact CB-CZ 4.24Å; E72-F94 HydrophobicContact CG-CB 4.01Å; E72-F94 HydrophobicContact CG-CD1 4.27Å; E72-F94 HydrophobicContact CG-CD2 4.28Å; E72-F94 HydrophobicContact CG-CG 3.94Å; E72-G113 WeakPolarHBondContact O-CA 3.39Å; E72-G113 PolarHBondContact O-N 3.29Å
73	K	94.3	Very high	93.2	Very high	106 Å²	106	37.1 Å²	37.1	46%	0.461	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	156.5	-173.6	-58.1	176.3	-174.5	170.3	0	111.8	Y71 K77 G113 S114	Y71-K73 VanDerWaalsContact C-N 3.26Å; Y71-K73 PolarHBondContact O-N 2.76Å; K73-K77 WeakPolarHBondContact CA-O 3.45Å; K73-K77 HydrophobicContact CB-CB 4.08Å; K73-K77 WeakPolarHBondContact CB-O 3.37Å; K73-K77 PolarHBondContact N-O 3.34Å; K73-G113 VanDerWaalsContact C-CA 3.42Å; K73-G113 CarbonylContact O-C 3.52Å; K73-S114 PolarHBondContact O-N 2.9Å; K73-S114 PolarHBondContact O-OG 2.95Å
74	P	96.1	Very high	93.1	Very high	36 Å²	36	39.9 Å²	39.9	23%	0.234	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	157.5	171.4	-25.9	34.6	0	0	0	112.7	D49 T51 F76 G113	D49-P74 HydrophobicContact CB-CB 4.3Å; T51-P74 HydrophobicContact CG2-CG 3.65Å; P74-F76 PolarHBondContact O-N 2.74Å; P74-G113 WeakPolarHBondContact CA-O 3.47Å
75	N	96.3	Very high	93.2	Very high	87 Å²	87	41.9 Å²	41.9	47%	0.465	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	36.8	177.7	-50	-77.7	0	0	0	114.4	M48	M48-N75 HydrophobicContact CE-CB 4.17Å; M48-N75 VanDerWaalsContact CE-OD1 3.28Å; M48-N75 WeakPolarHBondContact CE-OD1 3.43Å; M48-N75 PolarHBondContact O-N 2.67Å
76	F	94.7	Very high	93.1	Very high	50 Å²	50	43.5 Å²	43.5	22%	0.219	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	46.7	173.8	-40.4	-53.8	0	0	0	113.8	D46 M48 Y71 P74 S114 I115 R116	D46-F76 HydrophobicContact CB-CE1 4.49Å; D46-F76 HydrophobicContact CB-CZ 3.96Å; M48-F76 HydrophobicContact CE-CD2 4.41Å; M48-F76 HydrophobicContact CE-CE2 3.81Å; M48-F76 HydrophobicContact CE-CZ 4.26Å; M48-F76 HydrophobicContact SD-CD2 4.35Å; M48-F76 HydrophobicContact SD-CE1 4.32Å; M48-F76 HydrophobicContact SD-CE2 3.27Å; M48-F76 WeakPolarHBondContact SD-CE2 3.28Å; M48-F76 HydrophobicContact SD-CZ 3.25Å; M48-F76 WeakPolarHBondContact SD-CZ 3.41Å; Y71-F76 HydrophobicContact CD1-CB 4.14Å; Y71-F76 WeakPolarHBondContact CD1-O 3.49Å; Y71-F76 HydrophobicContact CD2-CB 4.04Å; Y71-F76 AromaticContact CD2-CD1 3.88Å; Y71-F76 HydrophobicContact CD2-CD1 3.88Å; Y71-F76 HydrophobicContact CD2-CG 4.44Å; Y71-F76 HydrophobicContact CE1-CB 3.93Å; Y71-F76 WeakPolarHBondContact CE1-O 3.21Å; Y71-F76 HydrophobicContact CE2-CB 3.84Å; Y71-F76 AromaticContact CE2-CD1 3.85Å; Y71-F76 HydrophobicContact CE2-CD1 3.85Å; Y71-F76 HydrophobicContact CE2-CG 4.22Å; Y71-F76 HydrophobicContact CG-CB 4.19Å; P74-F76 PolarHBondContact O-N 2.74Å; F76-S114 VanDerWaalsContact CA-OG 3.28Å; F76-S114 WeakPolarHBondContact CA-OG 3.09Å; F76-S114 PolarHBondContact N-OG 2.85Å; F76-I115 WeakPolarHBondContact CE1-O 3.38Å; F76-R116 HydrophobicContact CD1-CB 3.77Å; F76-R116 HydrophobicContact CD1-CG 4.39Å; F76-R116 HydrophobicContact CE1-CB 3.78Å; F76-R116 HydrophobicContact CE1-CG 4.28Å; F76-R116 HydrophobicContact CG-CB 4.42Å; F76-R116 HydrophobicContact CZ-CB 4.42Å; F76-R116 HydrophobicContact CZ-CG 4.44Å
77	K	93.1	Very high	93.2	Very high	134 Å²	134	48 Å²	48	58%	0.583	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	160.7	-175.5	-68.7	178.7	-176.1	-178.6	0	112.2	K73	K73-K77 WeakPolarHBondContact CA-O 3.45Å; K73-K77 HydrophobicContact CB-CB 4.08Å; K73-K77 WeakPolarHBondContact CB-O 3.37Å; K73-K77 PolarHBondContact N-O 3.34Å
78	G	91.1	Very high	93.1	Very high	36 Å²	36	50.3 Å²	50.3	37%	0.371	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.2	-162.1	178.1	0	0	0	0	0	112.5
79	E	90.1	Very high	92.8	Very high	131 Å²	131	55.7 Å²	55.7	61%	0.612	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	150.5	176.4	-71.3	-59.5	140.6	0	0	111.5	Y71 E72 F94	Y71-E79 WeakPolarHBondContact CA-O 3.19Å; E72-E79 HydrophobicContact CB-CB 4.19Å; E72-E79 PolarHBondContact N-O 3.41Å; E72-E79 PolarHBondContact OE2-N 3.3Å; E72-E79 VanDerWaalsContact OE2-N 3.11Å; E79-F94 HydrophobicContact CB-CD1 3.64Å; E79-F94 HydrophobicContact CB-CE1 3.87Å; E79-F94 WeakPolarHBondContact O-CE1 3.4Å
80	K	92.1	Very high	92.6	Very high	70 Å²	70	56.8 Å²	56.8	30%	0.304	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.6	-171.2	-51.4	-175.9	-167.5	-177.3	0	111.4	V69 L70 Y71 I182 E184	V69-K80 HydrophobicContact CG1-CB 3.95Å; V69-K80 HydrophobicContact CG1-CD 4.37Å; V69-K80 HydrophobicContact CG1-CG 4.43Å; L70-K80 CarbonylContact O-C 3.43Å; L70-K80 VanDerWaalsContact O-CA 3.32Å; L70-K80 WeakPolarHBondContact O-CA 3.16Å; Y71-K80 HydrophobicContact CD1-CD 4.23Å; Y71-K80 HydrophobicContact CD1-CG 3.79Å; Y71-K80 HydrophobicContact CE1-CD 3.69Å; Y71-K80 HydrophobicContact CE1-CG 3.79Å; K80-I182 HydrophobicContact CB-CD1 3.84Å; K80-I182 HydrophobicContact CD-CG2 4.34Å; K80-I182 VanDerWaalsContact O-CD1 3.26Å; K80-I182 WeakPolarHBondContact O-CD1 3.36Å; K80-E184 IonicContact NZ-OE1 3.18Å; K80-E184 PolarHBondContact NZ-OE1 2.83Å
81	I	93.1	Very high	92.2	Very high	28 Å²	28	61 Å²	61	14%	0.144	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.2	169.2	-54.1	166	0	0	0	107.4	V69 L70 L83 L90 P93 F94	V69-I81 CarbonylContact C-O 3.6Å; V69-I81 VanDerWaalsContact CA-O 3.29Å; V69-I81 WeakPolarHBondContact CA-O 3.48Å; L70-I81 HydrophobicContact CB-CB 4.31Å; L70-I81 PolarHBondContact N-O 3.02Å; L70-I81 PolarHBondContact O-N 3.36Å; I81-L83 HydrophobicContact CG2-CD2 3.81Å; I81-L90 HydrophobicContact CD1-CD1 4.29Å; I81-L90 HydrophobicContact CG2-CD1 4.38Å; I81-P93 HydrophobicContact CD1-CB 3.31Å; I81-P93 HydrophobicContact CD1-CG 3.26Å; I81-P93 HydrophobicContact CG1-CB 4.42Å; I81-F94 HydrophobicContact CD1-CE1 3.79Å; I81-F94 HydrophobicContact CD1-CE2 4.22Å; I81-F94 HydrophobicContact CD1-CZ 3.58Å; I81-F94 HydrophobicContact CG1-CE1 3.79Å; I81-F94 HydrophobicContact CG1-CZ 3.9Å
82	A	94.4	Very high	91.7	Very high	22 Å²	22	62 Å²	62	18%	0.182	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.5	174.2	0	0	0	0	0	109.9	W68 L167 L169 I182 L207	W68-A82 CarbonylContact O-C 3.5Å; W68-A82 WeakPolarHBondContact O-CA 3.38Å; A82-L167 HydrophobicContact CB-CD2 4.31Å; A82-L169 HydrophobicContact CB-CD2 3.59Å; A82-I182 HydrophobicContact CB-CD1 3.95Å; A82-I182 HydrophobicContact CB-CG1 4.14Å; A82-I182 HydrophobicContact CB-CG2 4.24Å; A82-L207 HydrophobicContact CB-CD1 3.98Å; A82-L207 HydrophobicContact CB-CD2 4.47Å
83	L	94.3	Very high	90.9	Very high	8 Å²	8	61.4 Å²	61.4	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115	-177.4	-50.4	173.9	0	0	0	108.8	I28 I61 V63 W68 L70 I81 V88 L90 L207	I28-L83 HydrophobicContact CD1-CD1 3.81Å; I61-L83 HydrophobicContact CD1-CD1 4.07Å; I61-L83 HydrophobicContact CG2-CD1 4.1Å; V63-L83 HydrophobicContact CG2-CB 3.67Å; V63-L83 HydrophobicContact CG2-CD1 4.33Å; W68-L83 HydrophobicContact CB-CB 4.33Å; W68-L83 HydrophobicContact CB-CD1 4.46Å; W68-L83 PolarHBondContact N-O 2.94Å; W68-L83 PolarHBondContact O-N 3.07Å; L70-L83 HydrophobicContact CD1-CD1 3.94Å; L70-L83 HydrophobicContact CD2-CD1 3.96Å; L70-L83 HydrophobicContact CG-CD1 3.68Å; L70-L83 HydrophobicContact CG-CG 4.34Å; I81-L83 HydrophobicContact CG2-CD2 3.81Å; L83-V88 HydrophobicContact CD2-CG1 4.05Å; L83-L90 HydrophobicContact CD2-CD1 4.24Å; L83-L207 WeakPolarHBondContact O-CD2 3.5Å
84	D	91.4	Very high	90.2	Very high	63 Å²	63	58.6 Å²	58.6	34%	0.337	32%	0.32	S	S	.	.			trans	-80.6	166.3	170.7	-144.5	-15.6	0	0	0	110.9	V63 G86 H205 L207	V63-D84 VanDerWaalsContact CB-O 3.24Å; V63-D84 WeakPolarHBondContact CB-O 3.19Å; V63-D84 WeakPolarHBondContact CG2-O 3.37Å; D84-G86 PolarHBondContact O-N 3.21Å; D84-H205 IonicContact OD2-CD2 3.33Å; D84-H205 IonicContact OD2-CE1 3.31Å; D84-H205 IonicContact OD2-NE2 2.95Å; D84-H205 PolarHBondContact OD2-NE2 3.34Å; D84-L207 HydrophobicContact CB-CD2 4.14Å
85	E	91.2	Very high	88.9	Confident	44 Å²	44	58.8 Å²	58.8	21%	0.206	32%	0.322	C	S	.	.	S	Bend	trans	-58.3	131.1	174.6	-71.4	-174.4	-171.9	0	0	110.8	V63 R65 G66 V209 G210	V63-E85 HydrophobicContact CG1-CG 4.15Å; R65-E85 WeakPolarHBondContact CA-OE1 3.18Å; G66-E85 PolarHBondContact N-OE1 2.86Å; E85-V209 WeakPolarHBondContact OE1-CG1 3.24Å; E85-G210 PolarHBondContact OE1-N 2.96Å; E85-G210 VanDerWaalsContact OE1-N 3.08Å; E85-G210 VanDerWaalsContact OE2-CA 3.29Å; E85-G210 WeakPolarHBondContact OE2-CA 3.15Å; E85-G210 PolarHBondContact OE2-N 3.05Å; E85-G210 VanDerWaalsContact OE2-N 3.08Å
86	G	88.6	Confident	87.1	Confident	34 Å²	34	59.7 Å²	59.7	35%	0.351	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	136.2	-171.1	-175.3	0	0	0	0	0	114.6	R62 V63 D84	R62-G86 CarbonylContact C-O 3.59Å; R62-G86 WeakPolarHBondContact CA-O 3.2Å; V63-G86 PolarHBondContact N-O 3.43Å; V63-G86 PolarHBondContact O-N 2.65Å; D84-G86 PolarHBondContact O-N 3.21Å
87	D	89.6	Confident	85	Confident	95 Å²	95	66.5 Å²	66.5	51%	0.508	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132	-179	-74.3	-4	0	0	0	110	M36 I61 R62	M36-D87 HydrophobicContact CE-CB 3.42Å; M36-D87 VanDerWaalsContact CE-CB 3.42Å; M36-D87 WeakPolarHBondContact CE-OD1 3.41Å; I61-D87 WeakPolarHBondContact O-CA 3.48Å; R62-D87 WeakPolarHBondContact CB-OD1 3.28Å; R62-D87 WeakPolarHBondContact CG-OD1 3.41Å; R62-D87 IonicContact CZ-OD1 2.77Å; R62-D87 IonicContact CZ-OD2 3.81Å; R62-D87 IonicContact NE-OD1 2.68Å; R62-D87 PolarHBondContact NE-OD1 3Å; R62-D87 IonicContact NE-OD2 2.67Å; R62-D87 PolarHBondContact NE-OD2 2.65Å; R62-D87 IonicContact NH2-OD1 2.65Å; R62-D87 IonicContact NH2-OD2 3.32Å; R62-D87 PolarHBondContact NH2-OD2 3.32Å
88	V	90.2	Very high	82.5	Confident	48 Å²	48	65 Å²	65	29%	0.291	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.7	178.1	63.5	0	0	0	0	110.8	S60 I61 L83 L90	S60-V88 WeakPolarHBondContact CA-O 3.31Å; I61-V88 HydrophobicContact CB-CG1 3.73Å; I61-V88 HydrophobicContact CG2-CG1 4.35Å; I61-V88 PolarHBondContact N-O 3.45Å; I61-V88 PolarHBondContact O-N 2.8Å; L83-V88 HydrophobicContact CD2-CG1 4.05Å; V88-L90 HydrophobicContact CG2-CD2 3.85Å; V88-L90 HydrophobicContact CG2-CG 4.19Å
89	E	89.6	Confident	80.1	Confident	113 Å²	113	72.1 Å²	72.1	53%	0.528	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.2	168.1	-64.9	-161.7	155.7	0	0	109.6	G35 I59 S60	G35-E89 PolarHBondContact N-OE1 2.9Å; I59-E89 WeakPolarHBondContact O-CA 3.33Å; S60-E89 PolarHBondContact OG-OE1 3.12Å
90	L	90	Very high	77.7	Confident	24 Å²	24	74.7 Å²	74.7	13%	0.126	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.7	179.9	-62.9	179.7	0	0	0	109.2	T58 I59 I61 L70 I81 L83 V88 F110	T58-L90 WeakPolarHBondContact CA-O 3.4Å; I59-L90 HydrophobicContact CG1-CB 4.22Å; I59-L90 PolarHBondContact N-O 3.38Å; I59-L90 PolarHBondContact O-N 2.93Å; I61-L90 HydrophobicContact CD1-CD1 3.7Å; L70-L90 HydrophobicContact CD1-CD1 3.95Å; I81-L90 HydrophobicContact CD1-CD1 4.29Å; I81-L90 HydrophobicContact CG2-CD1 4.38Å; L83-L90 HydrophobicContact CD2-CD1 4.24Å; V88-L90 HydrophobicContact CG2-CD2 3.85Å; V88-L90 HydrophobicContact CG2-CG 4.19Å; L90-F110 HydrophobicContact CB-CE2 3.63Å; L90-F110 HydrophobicContact CB-CZ 3.87Å; L90-F110 HydrophobicContact CD1-CZ 4.22Å; L90-F110 WeakPolarHBondContact O-CE2 3.44Å
91	T	88.6	Confident	75.3	Confident	88 Å²	88	80.3 Å²	80.3	54%	0.54	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.9	174.9	-57.3	0	0	0	0	109.4	D57 T58 P93	D57-T91 WeakPolarHBondContact O-CA 3.41Å; T58-T91 WeakPolarHBondContact CG2-OG1 3.34Å; T58-T91 WeakPolarHBondContact OG1-CG2 3.48Å; T58-T91 PolarHBondContact OG1-OG1 2.91Å; T91-P93 VanDerWaalsContact O-N 3.07Å
92	C	83.2	Confident	72.6	Confident	24 Å²	24	84.3 Å²	84.3	16%	0.162	46%	0.461	C	S	.	.	S	Bend	trans	31.1	57.3	176.6	-63.3	0	0	0	0	116	D57 F94 S95 Q108	D57-C92 PolarHBondContact O-N 2.84Å; D57-C92 PolarHBondContact O-SG 2.92Å; C92-F94 PolarHBondContact O-N 3.4Å; C92-S95 WeakPolarHBondContact O-CB 3.44Å; C92-S95 PolarHBondContact O-N 3.06Å; C92-S95 VanDerWaalsContact O-N 3.09Å; C92-S95 PolarHBondContact O-OG 2.82Å; C92-S95 VanDerWaalsContact O-OG 3.12Å; C92-Q108 PolarHBondContact SG-O 2.79Å
93	P	77.2	Confident	70.1	Confident	49 Å²	49	92 Å²	92	32%	0.318	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-13.1	-158.7	30.1	-39.5	0	0	0	115.1	I81 T91 F110	I81-P93 HydrophobicContact CD1-CB 3.31Å; I81-P93 HydrophobicContact CD1-CG 3.26Å; I81-P93 HydrophobicContact CG1-CB 4.42Å; T91-P93 VanDerWaalsContact O-N 3.07Å; P93-F110 HydrophobicContact CG-CE1 4.18Å; P93-F110 HydrophobicContact CG-CE2 3.79Å; P93-F110 HydrophobicContact CG-CZ 3.48Å; P93-F110 VanDerWaalsContact CG-CZ 3.48Å
94	F	80.3	Confident	67.9	Low	47 Å²	47	101 Å²	101	21%	0.206	54%	0.536	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	11.2	178	-54	-59.2	0	0	0	113.4	E72 E79 I81 C92 I111	E72-F94 HydrophobicContact CB-CD1 3.89Å; E72-F94 HydrophobicContact CB-CD2 4.14Å; E72-F94 HydrophobicContact CB-CE1 4.04Å; E72-F94 HydrophobicContact CB-CE2 4.29Å; E72-F94 HydrophobicContact CB-CG 3.93Å; E72-F94 HydrophobicContact CB-CZ 4.24Å; E72-F94 HydrophobicContact CG-CB 4.01Å; E72-F94 HydrophobicContact CG-CD1 4.27Å; E72-F94 HydrophobicContact CG-CD2 4.28Å; E72-F94 HydrophobicContact CG-CG 3.94Å; E79-F94 HydrophobicContact CB-CD1 3.64Å; E79-F94 HydrophobicContact CB-CE1 3.87Å; E79-F94 WeakPolarHBondContact O-CE1 3.4Å; I81-F94 HydrophobicContact CD1-CE1 3.79Å; I81-F94 HydrophobicContact CD1-CE2 4.22Å; I81-F94 HydrophobicContact CD1-CZ 3.58Å; I81-F94 HydrophobicContact CG1-CE1 3.79Å; I81-F94 HydrophobicContact CG1-CZ 3.9Å; C92-F94 PolarHBondContact O-N 3.4Å; F94-I111 WeakPolarHBondContact CD2-O 3.42Å; F94-I111 WeakPolarHBondContact CE2-O 3.49Å
95	S	68.5	Low	65.6	Low	39 Å²	39	105.4 Å²	105.4	27%	0.273	55%	0.551	S	S	.	*	S	Bend	trans	-87.6	141.9	-179.4	-53.1	0	0	0	0	111.3	C92 Q97	C92-S95 WeakPolarHBondContact O-CB 3.44Å; C92-S95 PolarHBondContact O-N 3.06Å; C92-S95 VanDerWaalsContact O-N 3.09Å; C92-S95 PolarHBondContact O-OG 2.82Å; C92-S95 VanDerWaalsContact O-OG 3.12Å; S95-Q97 PolarHBondContact O-N 3.41Å
96	P	57.8	Low	63.5	Low	107 Å²	107	108.7 Å²	108.7	70%	0.695	58%	0.577	S	S	*	*			trans	-65.4	121.8	176.6	24.3	-30.6	0	0	0	110.6	T98	P96-T98 PolarHBondContact O-N 2.87Å; P96-T98 VanDerWaalsContact O-N 3.09Å
97	Q	50.1	Low	61.9	Low	192 Å²	192	113.3 Å²	113.3	90%	0.897	60%	0.598	S	S	*	*			trans	-68.9	104	172.6	-66.6	-174.3	-10	0	0	108.6	S95	S95-Q97 PolarHBondContact O-N 3.41Å
98	T	40.9	Very low	60.6	Low	103 Å²	103	114.2 Å²	114.2	63%	0.632	60%	0.6	S	S	*	*			trans	-101.6	105.7	169.8	2.9	0	0	0	0	107.6	P96 E100	P96-T98 PolarHBondContact O-N 2.87Å; P96-T98 VanDerWaalsContact O-N 3.09Å; T98-E100 VanDerWaalsContact C-N 3.3Å; T98-E100 PolarHBondContact O-N 2.87Å
99	E	41.7	Very low	59.5	Low	186 Å²	186	119.2 Å²	119.2	87%	0.869	62%	0.617	S	S	*	*			trans	-71.7	85.7	166.3	-69.6	-175	163.2	0	0	108.4
100	E	39.2	Very low	59.2	Low	184 Å²	184	114 Å²	114	86%	0.86	59%	0.593	S	S	*	*			trans	-173.5	138.9	152.1	-104.2	167.5	-156.3	0	0	110	T98	T98-E100 VanDerWaalsContact C-N 3.3Å; T98-E100 PolarHBondContact O-N 2.87Å
101	Q	40.4	Very low	59	Low	188 Å²	188	117.5 Å²	117.5	88%	0.879	61%	0.611	S	S	*	*			trans	-77.6	162.9	-166.2	-70.9	174.8	-18.1	0	0	114.5
102	S	37.9	Very low	59.2	Low	113 Å²	113	113.4 Å²	113.4	79%	0.79	59%	0.586	S	S	*	*			trans	100.8	133	147.2	74.5	0	0	0	0	119.4
103	E	41.6	Very low	59.7	Low	183 Å²	183	112.3 Å²	112.3	86%	0.855	58%	0.578	S	S	*	*	S	Bend	trans	80	116.4	168.6	-57.3	-170.3	169	0	0	118.5	K105	E103-K105 PolarHBondContact O-N 3.15Å
104	E	47.2	Very low	60.7	Low	198 Å²	198	110 Å²	110	93%	0.925	56%	0.563	S	S	*	*			trans	11.1	81.8	170.2	-64.7	-177.5	165.9	0	0	116.5
105	K	44.4	Very low	61.5	Low	154 Å²	154	107.7 Å²	107.7	67%	0.67	55%	0.553	S	S	*	*			trans	-69.8	133.4	167	-79.1	-176.2	177.4	179.2	0	109.5	E103 T107	E103-K105 PolarHBondContact O-N 3.15Å; K105-T107 PolarHBondContact O-N 2.91Å
106	P	45.9	Very low	62.7	Low	114 Å²	114	110.1 Å²	110.1	74%	0.74	56%	0.556	S	S	*	*			trans	-56.5	141.4	167.2	24.5	-30.7	0	0	0	108.5	Q108	P106-Q108 VanDerWaalsContact C-N 3.35Å; P106-Q108 PolarHBondContact O-N 3.17Å
107	T	54.6	Low	64.4	Low	130 Å²	130	106 Å²	106	80%	0.798	53%	0.526	S	S	*	.			trans	-55.7	97.1	175.8	35.4	0	0	0	0	109.4	K105 K109	K105-T107 PolarHBondContact O-N 2.91Å; T107-K109 PolarHBondContact O-N 3.04Å
108	Q	64.3	Low	66.4	Low	115 Å²	115	98.6 Å²	98.6	54%	0.537	50%	0.498	S	S	.	.			trans	-74	113.7	-176.1	-170.7	152.7	3.7	0	0	107.9	C92 P106	C92-Q108 PolarHBondContact SG-O 2.79Å; P106-Q108 VanDerWaalsContact C-N 3.35Å; P106-Q108 PolarHBondContact O-N 3.17Å
109	K	67.1	Low	68.8	Low	152 Å²	152	94.1 Å²	94.1	66%	0.661	47%	0.471	S	S	*	.			trans	-65.9	137.8	-176.6	-66.7	-174.5	176.3	-173.6	0	110.3	T107 I111	T107-K109 PolarHBondContact O-N 3.04Å; K109-I111 PolarHBondContact O-N 3.02Å
110	F	82.4	Confident	71.1	Confident	3 Å²	3	90.8 Å²	90.8	1%	0.013	45%	0.451	C	S	.	.			trans	-68.3	127	169.1	-167.6	-61.9	0	0	0	108.9	L55 Q56 I59 L90 P93 I112	L55-F110 HydrophobicContact CB-CB 3.91Å; L55-F110 HydrophobicContact CD1-CD1 3.73Å; L55-F110 HydrophobicContact CD1-CE1 4.4Å; L55-F110 HydrophobicContact CD1-CG 4.4Å; Q56-F110 WeakPolarHBondContact O-CB 3.39Å; I59-F110 HydrophobicContact CD1-CD1 3.94Å; I59-F110 HydrophobicContact CD1-CD2 4.13Å; I59-F110 HydrophobicContact CD1-CE1 3.45Å; I59-F110 VanDerWaalsContact CD1-CE1 3.45Å; I59-F110 HydrophobicContact CD1-CE2 3.63Å; I59-F110 HydrophobicContact CD1-CG 4.28Å; I59-F110 HydrophobicContact CD1-CZ 3.28Å; I59-F110 HydrophobicContact CG1-CD2 3.95Å; I59-F110 HydrophobicContact CG1-CE1 4.27Å; I59-F110 HydrophobicContact CG1-CE2 3.5Å; I59-F110 HydrophobicContact CG1-CZ 3.7Å; I59-F110 HydrophobicContact CG2-CD2 4.16Å; I59-F110 HydrophobicContact CG2-CG 4.25Å; L90-F110 HydrophobicContact CB-CE2 3.63Å; L90-F110 HydrophobicContact CB-CZ 3.87Å; L90-F110 HydrophobicContact CD1-CZ 4.22Å; L90-F110 WeakPolarHBondContact O-CE2 3.44Å; P93-F110 HydrophobicContact CG-CE1 4.18Å; P93-F110 HydrophobicContact CG-CE2 3.79Å; P93-F110 HydrophobicContact CG-CZ 3.48Å; P93-F110 VanDerWaalsContact CG-CZ 3.48Å; F110-I112 HydrophobicContact CD1-CD1 4.45Å; F110-I112 HydrophobicContact CD1-CG1 3.9Å; F110-I112 HydrophobicContact CE1-CD1 3.93Å; F110-I112 HydrophobicContact CE1-CG1 3.49Å; F110-I112 VanDerWaalsContact CE1-CG1 3.49Å
111	I	85.7	Confident	73.5	Confident	99 Å²	99	83.3 Å²	83.3	51%	0.508	42%	0.416	S	S	.	.			trans	-117.2	127.1	-179.9	-61	175.1	0	0	0	108.6	F94 K109	F94-I111 WeakPolarHBondContact CD2-O 3.42Å; F94-I111 WeakPolarHBondContact CE2-O 3.49Å; K109-I111 PolarHBondContact O-N 3.02Å
112	I	92.8	Very high	75.9	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.01	38%	0.379	C	S	.	.			trans	-109.7	119.6	164.8	-58.8	175.4	0	0	0	106.7	I30 A50 T51 W53 L55 I59 L70 F110 I115	I30-I112 HydrophobicContact CD1-CD1 3.98Å; A50-I112 CarbonylContact C-O 3.53Å; A50-I112 HydrophobicContact CB-CB 4.17Å; A50-I112 HydrophobicContact CB-CG2 3.95Å; A50-I112 WeakPolarHBondContact CB-O 3.41Å; T51-I112 PolarHBondContact N-O 2.58Å; W53-I112 HydrophobicContact CE3-CD1 4.43Å; W53-I112 HydrophobicContact CZ3-CD1 4.44Å; L55-I112 HydrophobicContact CD1-CD1 3.75Å; L55-I112 HydrophobicContact CD1-CG1 3.93Å; I59-I112 HydrophobicContact CD1-CD1 4.21Å; L70-I112 HydrophobicContact CD1-CD1 4.33Å; L70-I112 HydrophobicContact CD2-CD1 4.48Å; L70-I112 HydrophobicContact CD2-CG2 4.37Å; F110-I112 HydrophobicContact CD1-CD1 4.45Å; F110-I112 HydrophobicContact CD1-CG1 3.9Å; F110-I112 HydrophobicContact CE1-CD1 3.93Å; F110-I112 HydrophobicContact CE1-CG1 3.49Å; F110-I112 VanDerWaalsContact CE1-CG1 3.49Å; I112-I115 HydrophobicContact CD1-CD1 4.49Å; I112-I115 HydrophobicContact CG2-CD1 4Å; I112-I115 HydrophobicContact CG2-CG1 3.62Å
113	G	94.6	Very high	78.4	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.358	C	S	.	.			trans	-77.1	-49.7	177	0	0	0	0	0	111.9	D49 A50 Y71 E72 K73 P74	D49-G113 CarbonylContact C-O 3.52Å; D49-G113 WeakPolarHBondContact CA-O 3.49Å; A50-G113 PolarHBondContact N-O 3.17Å; Y71-G113 WeakPolarHBondContact O-CA 3.4Å; Y71-G113 PolarHBondContact O-N 2.84Å; E72-G113 WeakPolarHBondContact O-CA 3.39Å; E72-G113 PolarHBondContact O-N 3.29Å; K73-G113 VanDerWaalsContact C-CA 3.42Å; K73-G113 CarbonylContact O-C 3.52Å; P74-G113 WeakPolarHBondContact CA-O 3.47Å
114	S	97	Very high	80.6	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	165	177.1	53.1	0	0	0	0	111.9	V47 M48 Y71 K73 F76	V47-S114 WeakPolarHBondContact O-CA 3.44Å; V47-S114 WeakPolarHBondContact O-CB 3.43Å; M48-S114 WeakPolarHBondContact O-CB 2.94Å; Y71-S114 WeakPolarHBondContact CB-OG 3.36Å; Y71-S114 PolarHBondContact N-O 2.94Å; Y71-S114 PolarHBondContact O-N 3.11Å; K73-S114 PolarHBondContact O-N 2.9Å; K73-S114 PolarHBondContact O-OG 2.95Å; F76-S114 VanDerWaalsContact CA-OG 3.28Å; F76-S114 WeakPolarHBondContact CA-OG 3.09Å; F76-S114 PolarHBondContact N-OG 2.85Å
115	I	96.5	Very high	82.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.4	-177.2	-55.4	-172.4	0	0	0	109.5	I30 I43 D46 V47 W53 W68 V69 L70 F76 I112	I30-I115 HydrophobicContact CD1-CD1 3.58Å; I43-I115 HydrophobicContact CD1-CD1 3.89Å; D46-I115 CarbonylContact C-O 3.27Å; D46-I115 WeakPolarHBondContact CA-O 3.47Å; V47-I115 HydrophobicContact CB-CB 4.2Å; V47-I115 PolarHBondContact N-O 2.85Å; V47-I115 PolarHBondContact O-N 3.24Å; W53-I115 HydrophobicContact CH2-CD1 3.66Å; W53-I115 HydrophobicContact CZ3-CD1 3.51Å; W68-I115 HydrophobicContact CE3-CG2 3.58Å; W68-I115 HydrophobicContact CZ3-CG2 3.97Å; V69-I115 WeakPolarHBondContact O-CA 3.31Å; L70-I115 HydrophobicContact CD2-CB 4.31Å; L70-I115 HydrophobicContact CD2-CD1 3.62Å; L70-I115 HydrophobicContact CD2-CG1 3.59Å; L70-I115 HydrophobicContact CD2-CG2 4.04Å; F76-I115 WeakPolarHBondContact CE1-O 3.38Å; I112-I115 HydrophobicContact CD1-CD1 4.49Å; I112-I115 HydrophobicContact CG2-CD1 4Å; I112-I115 HydrophobicContact CG2-CG1 3.62Å
116	R	95.1	Very high	85.1	Confident	89 Å²	89	51 Å²	51	34%	0.336	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.7	177.7	-166.6	178.9	171.9	-161.6	-3.9	111.3	D46 W68 V69 Y71 F76 E184	D46-R116 WeakPolarHBondContact OD1-CA 3.37Å; W68-R116 CarbonylContact C-O 3.57Å; W68-R116 WeakPolarHBondContact CA-O 3.31Å; V69-R116 PolarHBondContact N-O 3.25Å; V69-R116 PolarHBondContact O-N 3.15Å; Y71-R116 HydrophobicContact CE2-CB 3.69Å; F76-R116 HydrophobicContact CD1-CB 3.77Å; F76-R116 HydrophobicContact CD1-CG 4.39Å; F76-R116 HydrophobicContact CE1-CB 3.78Å; F76-R116 HydrophobicContact CE1-CG 4.28Å; F76-R116 HydrophobicContact CG-CB 4.42Å; F76-R116 HydrophobicContact CZ-CB 4.42Å; F76-R116 HydrophobicContact CZ-CG 4.44Å; R116-E184 IonicContact NH1-OE2 2.73Å; R116-E184 PolarHBondContact NH1-OE2 2.81Å
117	R	93.4	Very high	87.4	Confident	20 Å²	20	45.6 Å²	45.6	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	113.6	167.5	-171.8	-179.5	179.5	-159.7	2.8	110	R24 G26 D46 W68 V119 R120	R24-R117 PolarHBondContact O-NH1 2.93Å; R24-R117 PolarHBondContact O-NH2 3.12Å; G26-R117 VanDerWaalsContact N-CZ 3.28Å; D46-R117 PolarHBondContact OD1-N 2.7Å; W68-R117 HydrophobicContact CD2-CB 4.25Å; W68-R117 HydrophobicContact CD2-CG 4.39Å; W68-R117 HydrophobicContact CE3-CB 3.96Å; W68-R117 HydrophobicContact CH2-CB 4.05Å; W68-R117 HydrophobicContact CH2-CG 4.46Å; W68-R117 HydrophobicContact CZ2-CB 4.29Å; W68-R117 HydrophobicContact CZ2-CG 4.22Å; W68-R117 HydrophobicContact CZ3-CB 3.87Å; R117-V119 PolarHBondContact NE-O 2.96Å; R117-V119 VanDerWaalsContact NE-O 3.11Å; R117-R120 HydrophobicContact CG-CG 4.42Å; R117-R120 PolarHBondContact NH2-O 3.09Å
118	A	91.5	Very high	89.4	Confident	37 Å²	37	39.4 Å²	39.4	31%	0.306	19%	0.189	S	C	.	.			trans	-88.6	-38.5	-176.4	0	0	0	0	0	112.7	G67 V69 L167	G67-A118 PolarHBondContact O-N 3.49Å; V69-A118 HydrophobicContact CG2-CB 3.98Å; A118-L167 HydrophobicContact CB-CB 4.27Å; A118-L167 HydrophobicContact CB-CD1 3.65Å
119	V	91.1	Very high	90.8	Very high	10 Å²	10	34 Å²	34	6%	0.061	16%	0.164	C	C	.	.			trans	-119	129.3	-175.6	-167	0	0	0	0	110.6	G67 R117 L207 V209	G67-V119 PolarHBondContact O-N 3.49Å; G67-V119 VanDerWaalsContact O-N 3.16Å; R117-V119 PolarHBondContact NE-O 2.96Å; R117-V119 VanDerWaalsContact NE-O 3.11Å; V119-L207 HydrophobicContact CG2-CB 3.7Å; V119-V209 HydrophobicContact CB-CG2 4.44Å; V119-V209 HydrophobicContact CG1-CG2 3.7Å
120	R	90.5	Very high	92.2	Very high	116 Å²	116	27.4 Å²	27.4	44%	0.438	14%	0.136	S	C	.	.			trans	-122.1	-22.9	-169	-61.4	-177.6	-179.9	-157.7	-2.7	114.9	R24 D46 R117	R24-R120 PolarHBondContact N-O 2.83Å; D46-R120 IonicContact OD2-NH2 3.11Å; R117-R120 HydrophobicContact CG-CG 4.42Å; R117-R120 PolarHBondContact NH2-O 3.09Å
121	D	89.9	Confident	92.8	Very high	26 Å²	26	29.9 Å²	29.9	14%	0.139	15%	0.152	C	C	.	.	S	Bend	trans	-149.9	-177.6	-170.9	51.7	51	0	0	0	109.9	L21 P23 S123 V209	L21-D121 HydrophobicContact CB-CB 4.49Å; P23-D121 HydrophobicContact CB-CB 4.41Å; P23-D121 HydrophobicContact CG-CB 4.47Å; D121-S123 PolarHBondContact O-N 2.86Å; D121-S123 WeakPolarHBondContact OD1-CB 3.21Å; D121-S123 PolarHBondContact OD1-N 3.14Å; D121-S123 PolarHBondContact OD1-OG 3.03Å; D121-V209 WeakPolarHBondContact O-CG2 3.42Å
122	Y	90.1	Very high	93.2	Very high	26 Å²	26	30 Å²	30	10%	0.102	15%	0.15	C	C	.	.			trans	-88	25.1	178.1	-59.4	-73.9	0	0	0	113.4	R24 V124 V209 G210 D370 F371 Q400	R24-Y122 VanDerWaalsContact CD-OH 3.31Å; R24-Y122 WeakPolarHBondContact CD-OH 3.47Å; R24-Y122 HydrophobicContact CG-CE2 4.46Å; R24-Y122 PolarHBondContact NH1-OH 2.88Å; Y122-V124 PolarHBondContact O-N 3.1Å; Y122-V209 HydrophobicContact CD1-CB 4.33Å; Y122-V209 HydrophobicContact CE1-CB 4.06Å; Y122-V209 HydrophobicContact CE1-CG1 4.37Å; Y122-V209 WeakPolarHBondContact CE1-O 3.43Å; Y122-G210 WeakPolarHBondContact CE1-O 3.35Å; Y122-G210 PolarHBondContact OH-O 2.81Å; Y122-D370 VanDerWaalsContact CB-O 3.23Å; Y122-D370 WeakPolarHBondContact CB-O 3.38Å; Y122-F371 HydrophobicContact CD1-CB 4.41Å; Y122-F371 AromaticContact CD1-CD2 3.54Å; Y122-F371 HydrophobicContact CD1-CD2 3.54Å; Y122-F371 HydrophobicContact CD1-CE2 4.31Å; Y122-F371 HydrophobicContact CD1-CG 4.39Å; Y122-F371 HydrophobicContact CD2-CB 3.7Å; Y122-F371 HydrophobicContact CD2-CD2 4.37Å; Y122-F371 HydrophobicContact CD2-CG 4.47Å; Y122-F371 AromaticContact CE1-CD2 3.85Å; Y122-F371 HydrophobicContact CE1-CD2 3.85Å; Y122-F371 HydrophobicContact CE1-CE2 4.44Å; Y122-F371 HydrophobicContact CE2-CB 4.11Å; Y122-F371 HydrophobicContact CG-CB 3.87Å; Y122-F371 AromaticContact CG-CD2 3.82Å; Y122-F371 HydrophobicContact CG-CD2 3.82Å; Y122-F371 HydrophobicContact CG-CG 4.32Å; Y122-Q400 PolarHBondContact OH-NE2 3.46Å; Y122-Q400 PolarHBondContact OH-OE1 3.36Å; Y122-Q400 VanDerWaalsContact OH-OE1 3.07Å
123	S	89.7	Confident	93.4	Very high	48 Å²	48	34.5 Å²	34.5	34%	0.336	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-55.4	131	173.4	49.7	0	0	0	0	110.4	D121 P125	D121-S123 PolarHBondContact O-N 2.86Å; D121-S123 WeakPolarHBondContact OD1-CB 3.21Å; D121-S123 PolarHBondContact OD1-N 3.14Å; D121-S123 PolarHBondContact OD1-OG 3.03Å; S123-P125 WeakPolarHBondContact O-CD 3.33Å; S123-P125 VanDerWaalsContact O-N 3.17Å
124	V	89.5	Confident	93.3	Very high	39 Å²	39	39.5 Å²	39.5	24%	0.236	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-63.9	117.7	178.7	-179.4	0	0	0	0	108.3	H18 Y122 R143 A165 D370	H18-V124 VanDerWaalsContact NE2-CG2 3.31Å; H18-V124 WeakPolarHBondContact NE2-CG2 3.5Å; Y122-V124 PolarHBondContact O-N 3.1Å; V124-R143 HydrophobicContact CG1-CB 3.93Å; V124-R143 HydrophobicContact CG1-CG 4.33Å; V124-A165 WeakPolarHBondContact O-CB 3.4Å; V124-D370 HydrophobicContact CG2-CB 3.88Å; V124-D370 WeakPolarHBondContact CG2-OD2 3.44Å
125	P	91.7	Very high	93.1	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.039	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-68.2	150	177.7	31.1	-34.4	0	0	0	108.9	S123 R143 A165 W168 P206	S123-P125 WeakPolarHBondContact O-CD 3.33Å; S123-P125 VanDerWaalsContact O-N 3.17Å; P125-R143 WeakPolarHBondContact CG-O 3.31Å; P125-R143 WeakPolarHBondContact O-CA 3.33Å; P125-A165 WeakPolarHBondContact CA-O 3.09Å; P125-W168 HydrophobicContact CB-CZ2 3.67Å; P125-W168 HydrophobicContact CG-CZ2 4.06Å; P125-P206 HydrophobicContact CB-CB 3.62Å; P125-P206 HydrophobicContact CB-CG 4.25Å; P125-P206 HydrophobicContact CG-CB 3.52Å; P125-P206 HydrophobicContact CG-CG 3.62Å
126	E	93.1	Very high	92.9	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	123.6	177.9	-174.9	-179.9	105	0	0	111.2	V141 F142 R143 N164 A165	E126-V141 HydrophobicContact CG-CG1 3.66Å; E126-F142 WeakPolarHBondContact CA-O 3.29Å; E126-R143 HydrophobicContact CB-CG 4.47Å; E126-R143 HydrophobicContact CG-CG 4.29Å; E126-R143 IonicContact OE2-CZ 2.69Å; E126-R143 VanDerWaalsContact OE2-CZ 3.26Å; E126-R143 IonicContact OE2-NE 2.61Å; E126-R143 PolarHBondContact OE2-NE 3.4Å; E126-R143 IonicContact OE2-NH2 3.54Å; E126-R143 PolarHBondContact OE2-NH2 2.88Å; E126-N164 HydrophobicContact CB-CB 4.16Å; E126-N164 HydrophobicContact CG-CB 4.36Å; E126-N164 PolarHBondContact O-N 3.09Å; E126-N164 PolarHBondContact OE1-ND2 3.26Å; E126-A165 PolarHBondContact N-O 3.41Å; E126-A165 PolarHBondContact O-N 3.32Å
127	I	95.1	Very high	92.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.9	173.8	-173	167.7	0	0	0	110.6	L129 V141 F142 I161 V163 W168 V170 L183	I127-L129 HydrophobicContact CD1-CD2 4.01Å; I127-L129 HydrophobicContact CG1-CD2 3.97Å; I127-V141 CarbonylContact O-C 3.48Å; I127-V141 WeakPolarHBondContact O-CA 3.27Å; I127-F142 HydrophobicContact CG2-CB 3.7Å; I127-F142 HydrophobicContact CG2-CD2 4.45Å; I127-F142 PolarHBondContact N-O 3.43Å; I127-F142 PolarHBondContact O-N 3.37Å; I127-I161 HydrophobicContact CD1-CG2 3.77Å; I127-I161 HydrophobicContact CG1-CG2 3.74Å; I127-V163 HydrophobicContact CD1-CG2 3.98Å; I127-V163 HydrophobicContact CG1-CG2 4.04Å; I127-W168 HydrophobicContact CB-CD2 3.76Å; I127-W168 HydrophobicContact CB-CE3 4.31Å; I127-W168 HydrophobicContact CB-CG 4.03Å; I127-W168 HydrophobicContact CB-CZ2 4.06Å; I127-W168 HydrophobicContact CD1-CB 4Å; I127-W168 HydrophobicContact CD1-CD2 4.31Å; I127-W168 HydrophobicContact CD1-CG 4.01Å; I127-W168 HydrophobicContact CG2-CD2 3.52Å; I127-W168 HydrophobicContact CG2-CE3 3.56Å; I127-W168 HydrophobicContact CG2-CG 4.25Å; I127-W168 HydrophobicContact CG2-CH2 3.63Å; I127-W168 HydrophobicContact CG2-CZ2 3.6Å; I127-W168 HydrophobicContact CG2-CZ3 3.61Å; I127-V170 HydrophobicContact CD1-CG2 3.87Å; I127-L183 HydrophobicContact CD1-CD1 4.4Å
128	G	95.3	Very high	92.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.8	173.4	0	0	0	0	0	111	V140 I161 I162	G128-V140 CarbonylContact C-O 3.58Å; G128-V140 WeakPolarHBondContact CA-O 3.42Å; G128-I161 WeakPolarHBondContact O-CA 3.47Å; G128-I162 PolarHBondContact N-O 3.01Å; G128-I162 PolarHBondContact O-N 2.84Å
129	L	95.6	Very high	92.5	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.8	176	-51.9	-176.1	0	0	0	109.6	I127 K139 V140 F142 I156 A158 I161 V201	I127-L129 HydrophobicContact CD1-CD2 4.01Å; I127-L129 HydrophobicContact CG1-CD2 3.97Å; L129-K139 CarbonylContact O-C 3.57Å; L129-K139 VanDerWaalsContact O-CA 3.25Å; L129-K139 WeakPolarHBondContact O-CA 3.24Å; L129-V140 PolarHBondContact N-O 2.82Å; L129-V140 PolarHBondContact O-N 2.96Å; L129-F142 HydrophobicContact CD1-CD2 4.18Å; L129-F142 HydrophobicContact CD1-CE2 3.76Å; L129-F142 HydrophobicContact CG-CD2 4.45Å; L129-F142 HydrophobicContact CG-CE2 4.41Å; L129-I156 HydrophobicContact CB-CG2 4.34Å; L129-I156 HydrophobicContact CD1-CB 4.48Å; L129-I156 HydrophobicContact CD1-CD1 4.18Å; L129-I156 HydrophobicContact CD1-CG2 4.11Å; L129-A158 HydrophobicContact CB-CB 4.02Å; L129-A158 HydrophobicContact CD2-CB 4.25Å; L129-I161 HydrophobicContact CD2-CD1 3.93Å; L129-I161 HydrophobicContact CD2-CG1 3.84Å; L129-I161 HydrophobicContact CD2-CG2 4.19Å; L129-V201 HydrophobicContact CD1-CB 4.13Å; L129-V201 HydrophobicContact CD1-CG1 3.93Å; L129-V201 HydrophobicContact CD1-CG2 4.21Å
130	F	95.6	Very high	92.5	Very high	14 Å²	14	54.2 Å²	54.2	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136	-174.8	-66.1	-101.2	0	0	0	111	E132 A135 K139 A158 N159 S160 I162	F130-E132 PolarHBondContact O-N 3.27Å; F130-A135 HydrophobicContact CD1-CB 4.05Å; F130-A135 VanDerWaalsContact CD1-O 3.23Å; F130-A135 WeakPolarHBondContact CD1-O 3.26Å; F130-A135 HydrophobicContact CD2-CB 4.18Å; F130-A135 HydrophobicContact CE1-CB 3.87Å; F130-A135 WeakPolarHBondContact CE1-O 3.47Å; F130-A135 HydrophobicContact CE2-CB 4.04Å; F130-A135 HydrophobicContact CG-CB 4.19Å; F130-A135 HydrophobicContact CZ-CB 3.87Å; F130-K139 HydrophobicContact CD1-CB 3.76Å; F130-K139 HydrophobicContact CD2-CB 4.35Å; F130-K139 HydrophobicContact CE1-CB 3.61Å; F130-K139 HydrophobicContact CE1-CD 3.95Å; F130-K139 HydrophobicContact CE1-CG 4.23Å; F130-K139 HydrophobicContact CE2-CB 4.19Å; F130-K139 HydrophobicContact CE2-CD 4.3Å; F130-K139 HydrophobicContact CG-CB 4.14Å; F130-K139 HydrophobicContact CZ-CB 3.83Å; F130-K139 HydrophobicContact CZ-CD 3.6Å; F130-K139 HydrophobicContact CZ-CG 4.3Å; F130-A158 CarbonylContact O-C 3.55Å; F130-A158 WeakPolarHBondContact O-CA 3.34Å; F130-N159 PolarHBondContact O-N 2.89Å; F130-S160 WeakPolarHBondContact CB-O 3.19Å; F130-S160 WeakPolarHBondContact CB-OG 3.47Å; F130-S160 PolarHBondContact N-O 3.4Å; F130-S160 PolarHBondContact O-N 3.02Å; F130-I162 HydrophobicContact CE2-CB 3.97Å; F130-I162 HydrophobicContact CE2-CD1 3.86Å; F130-I162 HydrophobicContact CE2-CG1 3.73Å; F130-I162 HydrophobicContact CZ-CD1 3.86Å; F130-I162 HydrophobicContact CZ-CG1 4.27Å
131	P	94.2	Very high	92.5	Very high	54 Å²	54	49.7 Å²	49.7	35%	0.351	26%	0.264	S	S	.	.	S	Bend	trans	-71.4	-19.6	-179.2	30.2	-35.6	0	0	0	113.1	N159	P131-N159 WeakPolarHBondContact O-CB 3.38Å; P131-N159 VanDerWaalsContact O-CG 3.29Å; P131-N159 PolarHBondContact O-ND2 2.79Å
132	E	95.5	Very high	92.6	Very high	101 Å²	101	48.7 Å²	48.7	47%	0.472	26%	0.259	S	S	.	.	S	Bend	trans	-117.3	168.3	-178.9	-64.7	174.6	-142.1	0	0	111	F130 E136 S160	F130-E132 PolarHBondContact O-N 3.27Å; E132-E136 HydrophobicContact CB-CB 3.97Å; E132-S160 WeakPolarHBondContact O-CB 3.48Å; E132-S160 PolarHBondContact O-N 2.86Å; E132-S160 PolarHBondContact O-OG 2.78Å
133	E	95.4	Very high	92.5	Very high	97 Å²	97	50.7 Å²	50.7	45%	0.453	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-72.6	165.2	175.8	-68.8	-171.5	175.8	0	0	111	A135 E136 N159 S189 N190	E133-A135 PolarHBondContact O-N 2.97Å; E133-A135 VanDerWaalsContact O-N 3.16Å; E133-E136 PolarHBondContact O-N 3.45Å; E133-N159 HydrophobicContact CG-CB 4.3Å; E133-S189 WeakPolarHBondContact CA-O 3.26Å; E133-S189 WeakPolarHBondContact CB-O 3.31Å; E133-N190 HydrophobicContact CG-CB 4.2Å
134	N	93.5	Very high	92.5	Very high	106 Å²	106	52.5 Å²	52.5	57%	0.567	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	56.7	30.9	175.7	-53.2	-57.2	0	0	0	115.2	E136 S189	N134-E136 VanDerWaalsContact C-N 3.34Å; N134-E136 PolarHBondContact O-N 3.19Å; N134-S189 PolarHBondContact N-O 3.1Å
135	A	92.6	Very high	92.6	Very high	35 Å²	35	53.2 Å²	53.2	29%	0.289	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	61.2	36.7	179.5	0	0	0	0	0	114.5	F130 E133 S160 I162	F130-A135 HydrophobicContact CD1-CB 4.05Å; F130-A135 VanDerWaalsContact CD1-O 3.23Å; F130-A135 WeakPolarHBondContact CD1-O 3.26Å; F130-A135 HydrophobicContact CD2-CB 4.18Å; F130-A135 HydrophobicContact CE1-CB 3.87Å; F130-A135 WeakPolarHBondContact CE1-O 3.47Å; F130-A135 HydrophobicContact CE2-CB 4.04Å; F130-A135 HydrophobicContact CG-CB 4.19Å; F130-A135 HydrophobicContact CZ-CB 3.87Å; E133-A135 PolarHBondContact O-N 2.97Å; E133-A135 VanDerWaalsContact O-N 3.16Å; A135-S160 VanDerWaalsContact CA-OG 3.31Å; A135-S160 WeakPolarHBondContact CA-OG 3.49Å; A135-S160 PolarHBondContact N-OG 2.82Å; A135-I162 HydrophobicContact CB-CD1 3.5Å; A135-I162 HydrophobicContact CB-CG1 4.02Å
136	E	92.8	Very high	92.7	Very high	111 Å²	111	53.6 Å²	53.6	52%	0.519	28%	0.28	S	S	.	.			trans	-95	160.3	176.1	-63.8	-175.6	177.5	0	0	112.7	E132 E133 N134	E132-E136 HydrophobicContact CB-CB 3.97Å; E133-E136 PolarHBondContact O-N 3.45Å; N134-E136 VanDerWaalsContact C-N 3.34Å; N134-E136 PolarHBondContact O-N 3.19Å
137	G	91	Very high	92.6	Very high	45 Å²	45	57.3 Å²	57.3	46%	0.464	30%	0.298	S	S	.	.	S	Bend	trans	82.2	-178.3	-179.5	0	0	0	0	0	115.1	K139	G137-K139 PolarHBondContact O-N 2.8Å
138	K	89.6	Confident	92.4	Very high	173 Å²	173	59.1 Å²	59.1	75%	0.752	31%	0.307	S	S	*	.			trans	-78	105	-177.6	-173.9	179.2	-179.7	-178.3	0	110.4
139	K	90	Very high	92.1	Very high	90 Å²	90	59.1 Å²	59.1	39%	0.391	31%	0.307	S	S	.	.			trans	-67.7	152.5	178.8	69.8	178.8	-176.9	174.7	0	113.9	L129 F130 G137 V141	L129-K139 CarbonylContact O-C 3.57Å; L129-K139 VanDerWaalsContact O-CA 3.25Å; L129-K139 WeakPolarHBondContact O-CA 3.24Å; F130-K139 HydrophobicContact CD1-CB 3.76Å; F130-K139 HydrophobicContact CD2-CB 4.35Å; F130-K139 HydrophobicContact CE1-CB 3.61Å; F130-K139 HydrophobicContact CE1-CD 3.95Å; F130-K139 HydrophobicContact CE1-CG 4.23Å; F130-K139 HydrophobicContact CE2-CB 4.19Å; F130-K139 HydrophobicContact CE2-CD 4.3Å; F130-K139 HydrophobicContact CG-CB 4.14Å; F130-K139 HydrophobicContact CZ-CB 3.83Å; F130-K139 HydrophobicContact CZ-CD 3.6Å; F130-K139 HydrophobicContact CZ-CG 4.3Å; G137-K139 PolarHBondContact O-N 2.8Å; K139-V141 HydrophobicContact CD-CG2 3.83Å; K139-V141 HydrophobicContact CG-CG2 3.98Å
140	V	91.3	Very high	91.8	Very high	11 Å²	11	61.5 Å²	61.5	7%	0.067	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132	163.1	-174.8	0	0	0	0	107.6	A10 G128 L129 F142 I151 I156	A10-V140 HydrophobicContact CB-CG1 3.85Å; G128-V140 CarbonylContact C-O 3.58Å; G128-V140 WeakPolarHBondContact CA-O 3.42Å; L129-V140 PolarHBondContact N-O 2.82Å; L129-V140 PolarHBondContact O-N 2.96Å; V140-F142 HydrophobicContact CB-CE2 4.4Å; V140-F142 HydrophobicContact CG1-CD2 4.29Å; V140-F142 HydrophobicContact CG1-CE2 3.57Å; V140-F142 HydrophobicContact CG1-CZ 3.96Å; V140-I151 HydrophobicContact CG2-CD1 4.02Å; V140-I156 HydrophobicContact CB-CD1 4.41Å; V140-I156 HydrophobicContact CG1-CD1 4.07Å; V140-I156 HydrophobicContact CG2-CD1 4.42Å
141	V	90.8	Very high	91.1	Very high	20 Å²	20	62.7 Å²	62.7	12%	0.121	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.8	-177.2	-179.6	0	0	0	0	109.7	A10 E126 I127 K139 R143	A10-V141 VanDerWaalsContact CA-O 3.28Å; A10-V141 WeakPolarHBondContact CA-O 3.36Å; A10-V141 WeakPolarHBondContact CB-O 3.48Å; A10-V141 VanDerWaalsContact O-O 3.12Å; E126-V141 HydrophobicContact CG-CG1 3.66Å; I127-V141 CarbonylContact O-C 3.48Å; I127-V141 WeakPolarHBondContact O-CA 3.27Å; K139-V141 HydrophobicContact CD-CG2 3.83Å; K139-V141 HydrophobicContact CG-CG2 3.98Å; V141-R143 HydrophobicContact CG1-CG 4.33Å
142	F	91.6	Very high	90.5	Very high	5 Å²	5	66.4 Å²	66.4	2%	0.022	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.5	169.8	-64.2	-94.6	0	0	0	109.5	P8 A10 E126 I127 L129 V140 A146 A149 I156 W168 V204	P8-F142 HydrophobicContact CB-CE1 4.02Å; P8-F142 HydrophobicContact CB-CZ 4.44Å; P8-F142 HydrophobicContact CG-CE1 4.27Å; P8-F142 HydrophobicContact CG-CZ 4.2Å; A10-F142 HydrophobicContact CB-CD1 4.11Å; A10-F142 HydrophobicContact CB-CE1 3.89Å; A10-F142 HydrophobicContact CB-CZ 4.12Å; E126-F142 WeakPolarHBondContact CA-O 3.29Å; I127-F142 HydrophobicContact CG2-CB 3.7Å; I127-F142 HydrophobicContact CG2-CD2 4.45Å; I127-F142 PolarHBondContact N-O 3.43Å; I127-F142 PolarHBondContact O-N 3.37Å; L129-F142 HydrophobicContact CD1-CD2 4.18Å; L129-F142 HydrophobicContact CD1-CE2 3.76Å; L129-F142 HydrophobicContact CG-CD2 4.45Å; L129-F142 HydrophobicContact CG-CE2 4.41Å; V140-F142 HydrophobicContact CB-CE2 4.4Å; V140-F142 HydrophobicContact CG1-CD2 4.29Å; V140-F142 HydrophobicContact CG1-CE2 3.57Å; V140-F142 HydrophobicContact CG1-CZ 3.96Å; F142-A146 HydrophobicContact CD1-CB 3.7Å; F142-A146 HydrophobicContact CE1-CB 3.55Å; F142-A149 HydrophobicContact CE1-CB 4.14Å; F142-A149 HydrophobicContact CZ-CB 3.77Å; F142-I156 HydrophobicContact CE2-CD1 3.81Å; F142-I156 HydrophobicContact CZ-CD1 3.74Å; F142-W168 HydrophobicContact CB-CH2 3.85Å; F142-W168 HydrophobicContact CB-CZ3 4.06Å; F142-W168 WeakPolarHBondContact O-CH2 3.38Å; F142-W168 WeakPolarHBondContact O-CZ2 3.43Å; F142-V204 HydrophobicContact CB-CG2 4.02Å; F142-V204 HydrophobicContact CD1-CG2 3.77Å; F142-V204 HydrophobicContact CD2-CG2 4.19Å; F142-V204 HydrophobicContact CE1-CG2 4.26Å; F142-V204 HydrophobicContact CG-CG2 3.73Å
143	R	89.4	Confident	89.9	Confident	69 Å²	69	63.4 Å²	63.4	26%	0.26	33%	0.33	S	S	.	.	S	Bend	trans	-118.9	-1.9	175.3	-65	-173.1	178	107.6	-1.6	113.8	T13 V124 P125 E126 V141	T13-R143 PolarHBondContact OG1-NH1 2.92Å; V124-R143 HydrophobicContact CG1-CB 3.93Å; V124-R143 HydrophobicContact CG1-CG 4.33Å; P125-R143 WeakPolarHBondContact CG-O 3.31Å; P125-R143 WeakPolarHBondContact O-CA 3.33Å; E126-R143 HydrophobicContact CB-CG 4.47Å; E126-R143 HydrophobicContact CG-CG 4.29Å; E126-R143 IonicContact OE2-CZ 2.69Å; E126-R143 VanDerWaalsContact OE2-CZ 3.26Å; E126-R143 IonicContact OE2-NE 2.61Å; E126-R143 PolarHBondContact OE2-NE 3.4Å; E126-R143 IonicContact OE2-NH2 3.54Å; E126-R143 PolarHBondContact OE2-NH2 2.88Å; V141-R143 HydrophobicContact CG1-CG 4.33Å
144	D	89.2	Confident	89.3	Confident	86 Å²	86	66 Å²	66	46%	0.46	34%	0.34	S	S	.	.	S	Bend	trans	-147.6	175	177.8	-145.1	-33.3	0	0	0	109.9	W168 K208	D144-W168 WeakPolarHBondContact O-CZ3 3.48Å; D144-K208 WeakPolarHBondContact OD1-CE 3.4Å; D144-K208 IonicContact OD1-NZ 2.76Å; D144-K208 PolarHBondContact OD1-NZ 2.89Å; D144-K208 IonicContact OD2-NZ 2.68Å; D144-K208 PolarHBondContact OD2-NZ 3.22Å
145	T	91.7	Very high	89	Confident	53 Å²	53	63.4 Å²	63.4	33%	0.325	33%	0.329	S	S	.	.			trans	-53.7	132.8	168.7	-59.7	0	0	0	0	110.7	F176 V204 H205 P206	T145-F176 HydrophobicContact CG2-CE1 3.72Å; T145-F176 HydrophobicContact CG2-CE2 4.38Å; T145-F176 HydrophobicContact CG2-CZ 3.3Å; T145-V204 CarbonylContact C-O 3.52Å; T145-V204 WeakPolarHBondContact CA-O 3.32Å; T145-H205 HydrophobicContact CG2-CB 4.4Å; T145-H205 WeakPolarHBondContact CG2-ND1 3.49Å; T145-H205 PolarHBondContact OG1-CE1 3.02Å; T145-H205 PolarHBondContact OG1-ND1 3.03Å; T145-P206 WeakPolarHBondContact OG1-CD 3.4Å
146	A	92.6	Very high	88.9	Confident	14 Å²	14	62.5 Å²	62.5	12%	0.116	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-126.8	104	167.6	0	0	0	0	0	108.5	F142 D148 A149 S203 V204	F142-A146 HydrophobicContact CD1-CB 3.7Å; F142-A146 HydrophobicContact CE1-CB 3.55Å; A146-D148 PolarHBondContact O-N 2.65Å; A146-A149 HydrophobicContact CB-CB 4.44Å; A146-S203 VanDerWaalsContact O-CA 3.26Å; A146-S203 WeakPolarHBondContact O-CA 3.39Å; A146-S203 WeakPolarHBondContact O-CB 3.44Å; A146-V204 HydrophobicContact CB-CG2 3.89Å; A146-V204 PolarHBondContact N-O 3.42Å; A146-V204 PolarHBondContact O-N 3.46Å
147	E	91.4	Very high	89	Confident	118 Å²	118	62.5 Å²	62.5	55%	0.551	32%	0.317	S	S	*	.	S	Bend	trans	-63	-28.4	174.4	60.6	172.8	-164.7	0	0	112	P174 F175 F176 S203	E147-P174 CarbonylContact O-C 3.59Å; E147-F175 HydrophobicContact CB-CD1 4.19Å; E147-F175 HydrophobicContact CG-CD1 4.47Å; E147-F175 HydrophobicContact CG-CE1 4.43Å; E147-F175 WeakPolarHBondContact O-CA 3.44Å; E147-F175 PolarHBondContact O-N 3.04Å; E147-F176 VanDerWaalsContact CA-CZ 3.48Å; E147-F176 HydrophobicContact CB-CE2 3.92Å; E147-F176 HydrophobicContact CB-CZ 3.7Å; E147-S203 WeakPolarHBondContact O-CB 3.33Å
148	D	91.1	Very high	89.2	Confident	38 Å²	38	60.4 Å²	60.4	20%	0.203	30%	0.295	C	S	.	.			trans	-135.1	99.6	172.3	-167.3	-9.9	0	0	0	109.4	A146 R150	A146-D148 PolarHBondContact O-N 2.65Å; D148-R150 VanDerWaalsContact C-N 3.26Å; D148-R150 WeakPolarHBondContact OD1-CB 3.49Å; D148-R150 WeakPolarHBondContact OD1-CG 3.29Å; D148-R150 IonicContact OD1-CZ 3.17Å; D148-R150 PolarHBondContact OD1-N 3.32Å; D148-R150 VanDerWaalsContact OD1-N 3.08Å; D148-R150 IonicContact OD1-NE 3.2Å; D148-R150 PolarHBondContact OD1-NE 3.07Å; D148-R150 IonicContact OD1-NH2 2.92Å; D148-R150 IonicContact OD2-CZ 3.79Å; D148-R150 IonicContact OD2-NE 2.64Å; D148-R150 PolarHBondContact OD2-NE 3.41Å; D148-R150 IonicContact OD2-NH2 2.82Å; D148-R150 PolarHBondContact OD2-NH2 3.05Å
149	A	89.3	Confident	89.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.			trans	-84.2	-0.9	179.4	0	0	0	0	0	112.6	F142 A146 I156 G202	F142-A149 HydrophobicContact CE1-CB 4.14Å; F142-A149 HydrophobicContact CZ-CB 3.77Å; A146-A149 HydrophobicContact CB-CB 4.44Å; A149-I156 HydrophobicContact CB-CD1 4.29Å; A149-I156 WeakPolarHBondContact O-CD1 3.39Å; A149-I156 WeakPolarHBondContact O-CG1 3.47Å; A149-G202 PolarHBondContact N-O 3.1Å
150	R	88.4	Confident	89.9	Confident	52 Å²	52	49.3 Å²	49.3	20%	0.196	25%	0.249	C	C	.	.			trans	-66.1	139.7	-172.5	-63.4	178.7	-64.3	175.1	-5.5	111.4	D148 G153 F154	D148-R150 VanDerWaalsContact C-N 3.26Å; D148-R150 WeakPolarHBondContact OD1-CB 3.49Å; D148-R150 WeakPolarHBondContact OD1-CG 3.29Å; D148-R150 IonicContact OD1-CZ 3.17Å; D148-R150 PolarHBondContact OD1-N 3.32Å; D148-R150 VanDerWaalsContact OD1-N 3.08Å; D148-R150 IonicContact OD1-NE 3.2Å; D148-R150 PolarHBondContact OD1-NE 3.07Å; D148-R150 IonicContact OD1-NH2 2.92Å; D148-R150 IonicContact OD2-CZ 3.79Å; D148-R150 IonicContact OD2-NE 2.64Å; D148-R150 PolarHBondContact OD2-NE 3.41Å; D148-R150 IonicContact OD2-NH2 2.82Å; D148-R150 PolarHBondContact OD2-NH2 3.05Å; R150-G153 WeakPolarHBondContact CD-O 3.34Å; R150-F154 CarbonylContact C-O 3.46Å; R150-F154 WeakPolarHBondContact CA-O 3.42Å; R150-F154 VanDerWaalsContact CB-O 3.3Å; R150-F154 WeakPolarHBondContact CB-O 3.36Å
151	I	82.6	Confident	90.2	Very high	38 Å²	38	48.9 Å²	48.9	20%	0.195	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-104.9	124.2	175.1	-60	173.9	0	0	0	107.5	F7 P8 V140 G153 F154 I156	F7-I151 HydrophobicContact CD1-CG2 4.17Å; F7-I151 HydrophobicContact CE1-CG2 4.19Å; P8-I151 HydrophobicContact CG-CG1 4.25Å; V140-I151 HydrophobicContact CG2-CD1 4.02Å; I151-G153 PolarHBondContact O-N 2.76Å; I151-G153 VanDerWaalsContact O-N 3.15Å; I151-F154 PolarHBondContact N-O 3.02Å; I151-F154 PolarHBondContact O-N 2.87Å; I151-I156 HydrophobicContact CD1-CD1 4.06Å; I151-I156 HydrophobicContact CD1-CG1 3.99Å; I151-I156 HydrophobicContact CG1-CD1 4.3Å; I151-I156 HydrophobicContact CG1-CG1 4.12Å
152	F	81.2	Confident	90.5	Very high	132 Å²	132	50.2 Å²	50.2	58%	0.579	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	30.6	-170.1	-56.7	-69	0	0	0	114.1	A6 F7 F154	A6-F152 HydrophobicContact CB-CD1 4.42Å; A6-F152 HydrophobicContact CB-CE1 4.27Å; A6-F152 PolarHBondContact O-N 2.89Å; F7-F152 HydrophobicContact CE1-CE2 4.06Å; F7-F152 AromaticContact CE1-CZ 3.91Å; F7-F152 HydrophobicContact CE1-CZ 3.91Å; F7-F152 HydrophobicContact CE2-CE1 4.31Å; F7-F152 HydrophobicContact CE2-CZ 4.09Å; F7-F152 HydrophobicContact CZ-CE1 4.05Å; F7-F152 HydrophobicContact CZ-CE2 4.02Å; F7-F152 AromaticContact CZ-CZ 3.4Å; F7-F152 HydrophobicContact CZ-CZ 3.4Å; F152-F154 VanDerWaalsContact C-N 3.3Å; F152-F154 HydrophobicContact CB-CD2 4.36Å; F152-F154 VanDerWaalsContact O-CD2 3.28Å; F152-F154 WeakPolarHBondContact O-CD2 3.39Å; F152-F154 PolarHBondContact O-N 3.43Å
153	G	81.5	Confident	90.7	Very high	38 Å²	38	50.1 Å²	50.1	39%	0.392	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	3.4	-178.7	0	0	0	0	0	115.3	R150 I151	R150-G153 WeakPolarHBondContact CD-O 3.34Å; I151-G153 PolarHBondContact O-N 2.76Å; I151-G153 VanDerWaalsContact O-N 3.15Å
154	F	84.3	Confident	90.9	Very high	151 Å²	151	50.4 Å²	50.4	66%	0.662	26%	0.258	S	S	*	.	B	Isolated β-bridge	trans	-103.6	138.4	175.6	-62.9	-82.2	0	0	0	111.9	R150 I151 F152	R150-F154 CarbonylContact C-O 3.46Å; R150-F154 WeakPolarHBondContact CA-O 3.42Å; R150-F154 VanDerWaalsContact CB-O 3.3Å; R150-F154 WeakPolarHBondContact CB-O 3.36Å; I151-F154 PolarHBondContact N-O 3.02Å; I151-F154 PolarHBondContact O-N 2.87Å; F152-F154 VanDerWaalsContact C-N 3.3Å; F152-F154 HydrophobicContact CB-CD2 4.36Å; F152-F154 VanDerWaalsContact O-CD2 3.28Å; F152-F154 WeakPolarHBondContact O-CD2 3.39Å; F152-F154 PolarHBondContact O-N 3.43Å
155	P	85.8	Confident	91	Very high	53 Å²	53	47.5 Å²	47.5	34%	0.344	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-55.4	143.6	172.3	-23.9	33.7	0	0	0	112.2	K157 Y200	P155-K157 PolarHBondContact O-N 2.87Å; P155-Y200 HydrophobicContact CB-CD1 4.15Å; P155-Y200 HydrophobicContact CB-CG 4.42Å
156	I	91.8	Very high	91	Very high	16 Å²	16	46 Å²	46	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130	175.5	-61.6	176.2	0	0	0	108.2	L129 V140 F142 A149 I151 A158 Y200 V201	L129-I156 HydrophobicContact CB-CG2 4.34Å; L129-I156 HydrophobicContact CD1-CB 4.48Å; L129-I156 HydrophobicContact CD1-CD1 4.18Å; L129-I156 HydrophobicContact CD1-CG2 4.11Å; V140-I156 HydrophobicContact CB-CD1 4.41Å; V140-I156 HydrophobicContact CG1-CD1 4.07Å; V140-I156 HydrophobicContact CG2-CD1 4.42Å; F142-I156 HydrophobicContact CE2-CD1 3.81Å; F142-I156 HydrophobicContact CZ-CD1 3.74Å; A149-I156 HydrophobicContact CB-CD1 4.29Å; A149-I156 WeakPolarHBondContact O-CD1 3.39Å; A149-I156 WeakPolarHBondContact O-CG1 3.47Å; I151-I156 HydrophobicContact CD1-CD1 4.06Å; I151-I156 HydrophobicContact CD1-CG1 3.99Å; I151-I156 HydrophobicContact CG1-CD1 4.3Å; I151-I156 HydrophobicContact CG1-CG1 4.12Å; I156-A158 PolarHBondContact O-N 2.89Å; I156-Y200 CarbonylContact O-C 3.54Å; I156-Y200 WeakPolarHBondContact O-CA 3.43Å; I156-V201 HydrophobicContact CB-CB 4.4Å; I156-V201 PolarHBondContact N-O 2.82Å; I156-V201 PolarHBondContact O-N 3.06Å
157	K	93.8	Very high	91.1	Very high	111 Å²	111	45.4 Å²	45.4	48%	0.483	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	103.9	171.3	-167.3	-177.3	-179.7	-173.5	0	109.4	P155 N159 P199 Y200	P155-K157 PolarHBondContact O-N 2.87Å; K157-N159 WeakPolarHBondContact CE-OD1 3.11Å; K157-P199 CarbonylContact C-O 3.52Å; K157-P199 WeakPolarHBondContact CA-O 3.42Å; K157-P199 HydrophobicContact CG-CG 4.05Å; K157-Y200 HydrophobicContact CG-CE1 4.45Å
158	A	95.4	Very high	91.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.			trans	-105.2	82.8	-176.5	0	0	0	0	0	111.1	L129 F130 I156 S160 I161 W194 P199 V201	L129-A158 HydrophobicContact CB-CB 4.02Å; L129-A158 HydrophobicContact CD2-CB 4.25Å; F130-A158 CarbonylContact O-C 3.55Å; F130-A158 WeakPolarHBondContact O-CA 3.34Å; I156-A158 PolarHBondContact O-N 2.89Å; A158-S160 PolarHBondContact O-N 2.9Å; A158-I161 HydrophobicContact CB-CD1 4.4Å; A158-I161 HydrophobicContact CB-CG1 4.21Å; A158-W194 HydrophobicContact CB-CZ2 4.4Å; A158-W194 WeakPolarHBondContact O-CZ2 3.25Å; A158-W194 PolarHBondContact O-NE1 2.74Å; A158-P199 PolarHBondContact N-O 2.92Å; A158-P199 VanDerWaalsContact O-CB 3.29Å; A158-P199 WeakPolarHBondContact O-CB 3.37Å; A158-V201 HydrophobicContact CB-CG2 3.82Å
159	N	96.8	Very high	91.5	Very high	30 Å²	30	39.2 Å²	39.2	16%	0.16	21%	0.207	C	C	.	.	S	Bend	trans	-70.2	-24.1	-179.6	-70.3	-17.6	0	0	0	112	F130 P131 E133 K157 N190 P191 P199	F130-N159 PolarHBondContact O-N 2.89Å; P131-N159 WeakPolarHBondContact O-CB 3.38Å; P131-N159 VanDerWaalsContact O-CG 3.29Å; P131-N159 PolarHBondContact O-ND2 2.79Å; E133-N159 HydrophobicContact CG-CB 4.3Å; K157-N159 WeakPolarHBondContact CE-OD1 3.11Å; N159-N190 CarbonylContact O-C 3.58Å; N159-N190 WeakPolarHBondContact O-CA 3.43Å; N159-P191 VanDerWaalsContact O-CD 3.29Å; N159-P191 WeakPolarHBondContact O-CD 3.47Å; N159-P199 WeakPolarHBondContact OD1-CG 3.45Å
160	S	97.1	Very high	91.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	159.2	166.2	61.1	0	0	0	0	111.4	F130 E132 A135 A158 Y188 S189	F130-S160 WeakPolarHBondContact CB-O 3.19Å; F130-S160 WeakPolarHBondContact CB-OG 3.47Å; F130-S160 PolarHBondContact N-O 3.4Å; F130-S160 PolarHBondContact O-N 3.02Å; E132-S160 WeakPolarHBondContact O-CB 3.48Å; E132-S160 PolarHBondContact O-N 2.86Å; E132-S160 PolarHBondContact O-OG 2.78Å; A135-S160 VanDerWaalsContact CA-OG 3.31Å; A135-S160 WeakPolarHBondContact CA-OG 3.49Å; A135-S160 PolarHBondContact N-OG 2.82Å; A158-S160 PolarHBondContact O-N 2.9Å; S160-Y188 VanDerWaalsContact CA-O 3.28Å; S160-Y188 WeakPolarHBondContact CA-O 3.3Å; S160-Y188 WeakPolarHBondContact CB-O 3.37Å; S160-S189 WeakPolarHBondContact CB-O 3.28Å
161	I	97.9	Very high	92.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.1	-174.9	-61	179.9	0	0	0	109.3	I127 G128 L129 A158 V163 L183 Y188 W194	I127-I161 HydrophobicContact CD1-CG2 3.77Å; I127-I161 HydrophobicContact CG1-CG2 3.74Å; G128-I161 WeakPolarHBondContact O-CA 3.47Å; L129-I161 HydrophobicContact CD2-CD1 3.93Å; L129-I161 HydrophobicContact CD2-CG1 3.84Å; L129-I161 HydrophobicContact CD2-CG2 4.19Å; A158-I161 HydrophobicContact CB-CD1 4.4Å; A158-I161 HydrophobicContact CB-CG1 4.21Å; I161-V163 HydrophobicContact CG2-CG2 4.12Å; I161-L183 HydrophobicContact CD1-CD1 3.69Å; I161-L183 HydrophobicContact CG2-CD1 4.04Å; I161-Y188 HydrophobicContact CB-CD2 4.3Å; I161-Y188 HydrophobicContact CG2-CD2 4.33Å; I161-Y188 PolarHBondContact N-O 2.9Å; I161-Y188 PolarHBondContact O-N 2.87Å; I161-W194 HydrophobicContact CD1-CD2 3.67Å; I161-W194 HydrophobicContact CD1-CE3 4.03Å; I161-W194 HydrophobicContact CD1-CG 3.97Å; I161-W194 HydrophobicContact CD1-CH2 4.4Å; I161-W194 HydrophobicContact CD1-CZ2 4.06Å; I161-W194 HydrophobicContact CD1-CZ3 4.38Å
162	I	97.1	Very high	92.7	Very high	49 Å²	49	38.8 Å²	38.8	25%	0.251	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.6	164.2	-62.1	-179.8	0	0	0	108	G128 F130 A135 N164	G128-I162 PolarHBondContact N-O 3.01Å; G128-I162 PolarHBondContact O-N 2.84Å; F130-I162 HydrophobicContact CE2-CB 3.97Å; F130-I162 HydrophobicContact CE2-CD1 3.86Å; F130-I162 HydrophobicContact CE2-CG1 3.73Å; F130-I162 HydrophobicContact CZ-CD1 3.86Å; F130-I162 HydrophobicContact CZ-CG1 4.27Å; A135-I162 HydrophobicContact CB-CD1 3.5Å; A135-I162 HydrophobicContact CB-CG1 4.02Å; I162-N164 WeakPolarHBondContact CG2-OD1 3.37Å
163	V	96.1	Very high	93.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	108.2	166.5	-178.6	0	0	0	0	107.5	I127 I161 L183 V185 G186 Y188	I127-V163 HydrophobicContact CD1-CG2 3.98Å; I127-V163 HydrophobicContact CG1-CG2 4.04Å; I161-V163 HydrophobicContact CG2-CG2 4.12Å; V163-L183 HydrophobicContact CG2-CB 3.88Å; V163-V185 HydrophobicContact CG1-CG2 4.34Å; V163-V185 WeakPolarHBondContact O-CA 3.45Å; V163-G186 PolarHBondContact N-O 2.91Å; V163-G186 PolarHBondContact O-N 2.94Å; V163-Y188 HydrophobicContact CG2-CE2 4.06Å
164	N	93.1	Very high	93.8	Very high	75 Å²	75	36.6 Å²	36.6	40%	0.401	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-36.5	179.4	-66.1	-59	0	0	0	111.2	E126 I162	E126-N164 HydrophobicContact CB-CB 4.16Å; E126-N164 HydrophobicContact CG-CB 4.36Å; E126-N164 PolarHBondContact O-N 3.09Å; E126-N164 PolarHBondContact OE1-ND2 3.26Å; I162-N164 WeakPolarHBondContact CG2-OD1 3.37Å
165	A	91.7	Very high	94.1	Very high	25 Å²	25	34.2 Å²	34.2	21%	0.207	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.8	-178.6	0	0	0	0	0	112	V124 P125 E126 W168	V124-A165 WeakPolarHBondContact O-CB 3.4Å; P125-A165 WeakPolarHBondContact CA-O 3.09Å; E126-A165 PolarHBondContact N-O 3.41Å; E126-A165 PolarHBondContact O-N 3.32Å; A165-W168 PolarHBondContact O-NE1 2.84Å
166	G	91.7	Very high	94.5	Very high	21 Å²	21	35.3 Å²	35.3	22%	0.216	19%	0.189	C	C	.	.	S	Bend	trans	80.4	-173.8	178.1	0	0	0	0	0	114.6	V185	G166-V185 WeakPolarHBondContact O-CG2 3.47Å
167	L	94.6	Very high	94.4	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	21%	0.208	C	C	.	.			trans	-118.6	131.2	169.6	-169.3	159.3	0	0	0	107.7	V69 A82 A118 L169 I182 L183 E184 P206 L207	V69-L167 HydrophobicContact CG2-CD1 3.33Å; A82-L167 HydrophobicContact CB-CD2 4.31Å; A118-L167 HydrophobicContact CB-CB 4.27Å; A118-L167 HydrophobicContact CB-CD1 3.65Å; L167-L169 HydrophobicContact CD2-CD2 4.28Å; L167-I182 HydrophobicContact CD1-CG2 4.1Å; L167-I182 HydrophobicContact CD2-CG2 3.51Å; L167-I182 HydrophobicContact CG-CG2 4.22Å; L167-L183 WeakPolarHBondContact CA-O 3.33Å; L167-E184 HydrophobicContact CD1-CG 3.96Å; L167-E184 HydrophobicContact CG-CG 4.33Å; L167-P206 CarbonylContact O-C 3.5Å; L167-P206 VanDerWaalsContact O-CA 3.31Å; L167-P206 WeakPolarHBondContact O-CA 3.14Å; L167-L207 HydrophobicContact CB-CD1 3.79Å; L167-L207 HydrophobicContact CD1-CD1 4.29Å; L167-L207 HydrophobicContact CD2-CD1 3.15Å; L167-L207 HydrophobicContact CG-CD1 3.87Å; L167-L207 PolarHBondContact O-N 2.89Å
168	W	95.9	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.7	-173.9	-70.8	79.9	0	0	0	112.3	P125 I127 F142 D144 A165 V170 L183 V204 P206	P125-W168 HydrophobicContact CB-CZ2 3.67Å; P125-W168 HydrophobicContact CG-CZ2 4.06Å; I127-W168 HydrophobicContact CB-CD2 3.76Å; I127-W168 HydrophobicContact CB-CE3 4.31Å; I127-W168 HydrophobicContact CB-CG 4.03Å; I127-W168 HydrophobicContact CB-CZ2 4.06Å; I127-W168 HydrophobicContact CD1-CB 4Å; I127-W168 HydrophobicContact CD1-CD2 4.31Å; I127-W168 HydrophobicContact CD1-CG 4.01Å; I127-W168 HydrophobicContact CG2-CD2 3.52Å; I127-W168 HydrophobicContact CG2-CE3 3.56Å; I127-W168 HydrophobicContact CG2-CG 4.25Å; I127-W168 HydrophobicContact CG2-CH2 3.63Å; I127-W168 HydrophobicContact CG2-CZ2 3.6Å; I127-W168 HydrophobicContact CG2-CZ3 3.61Å; F142-W168 HydrophobicContact CB-CH2 3.85Å; F142-W168 HydrophobicContact CB-CZ3 4.06Å; F142-W168 WeakPolarHBondContact O-CH2 3.38Å; F142-W168 WeakPolarHBondContact O-CZ2 3.43Å; D144-W168 WeakPolarHBondContact O-CZ3 3.48Å; A165-W168 PolarHBondContact O-NE1 2.84Å; W168-V170 HydrophobicContact CB-CG2 4.39Å; W168-L183 PolarHBondContact N-O 3.31Å; W168-L183 PolarHBondContact O-N 2.82Å; W168-V204 HydrophobicContact CE3-CB 3.98Å; W168-V204 HydrophobicContact CE3-CG2 4.32Å; W168-V204 HydrophobicContact CZ3-CB 4.03Å; W168-V204 HydrophobicContact CZ3-CG2 3.85Å; W168-P206 HydrophobicContact CD2-CB 3.82Å; W168-P206 HydrophobicContact CE3-CB 3.89Å; W168-P206 HydrophobicContact CE3-CG 4.19Å; W168-P206 HydrophobicContact CG-CB 4.48Å; W168-P206 HydrophobicContact CH2-CB 4Å; W168-P206 HydrophobicContact CH2-CG 3.78Å; W168-P206 HydrophobicContact CZ2-CB 3.91Å; W168-P206 HydrophobicContact CZ2-CG 4.15Å; W168-P206 HydrophobicContact CZ3-CB 4Å; W168-P206 VanDerWaalsContact CZ3-CD 3.47Å; W168-P206 HydrophobicContact CZ3-CG 3.81Å
169	L	96.3	Very high	93.8	Very high	25 Å²	25	42.5 Å²	42.5	13%	0.131	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.3	164.1	-51.9	-176.6	0	0	0	108.1	A82 L167 F171 P180 R181 I182 V204 H205	A82-L169 HydrophobicContact CB-CD2 3.59Å; L167-L169 HydrophobicContact CD2-CD2 4.28Å; L169-F171 HydrophobicContact CB-CD2 4.45Å; L169-F171 HydrophobicContact CB-CE2 3.67Å; L169-F171 HydrophobicContact CB-CZ 4.22Å; L169-P180 HydrophobicContact CB-CB 3.96Å; L169-P180 HydrophobicContact CD2-CB 4.39Å; L169-R181 WeakPolarHBondContact CA-O 3.24Å; L169-I182 HydrophobicContact CD2-CB 4.48Å; L169-I182 HydrophobicContact CD2-CG1 3.73Å; L169-V204 CarbonylContact O-C 3.4Å; L169-V204 WeakPolarHBondContact O-CA 3.31Å; L169-H205 HydrophobicContact CB-CB 4.32Å; L169-H205 WeakPolarHBondContact CB-O 3.33Å; L169-H205 PolarHBondContact N-O 3.12Å; L169-H205 PolarHBondContact O-N 3.15Å
170	V	96.5	Very high	93.6	Very high	3 Å²	3	43 Å²	43	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.3	-179.7	-177.5	0	0	0	0	109	I127 W168 P180 R181 L183 W194 V201 V204	I127-V170 HydrophobicContact CD1-CG2 3.87Å; W168-V170 HydrophobicContact CB-CG2 4.39Å; V170-P180 CarbonylContact O-C 3.59Å; V170-P180 WeakPolarHBondContact O-CA 3.31Å; V170-R181 HydrophobicContact CB-CB 4.47Å; V170-R181 PolarHBondContact N-O 2.85Å; V170-R181 PolarHBondContact O-N 2.98Å; V170-L183 HydrophobicContact CB-CD1 4.44Å; V170-L183 HydrophobicContact CG2-CD1 3.7Å; V170-L183 HydrophobicContact CG2-CG 4.17Å; V170-W194 HydrophobicContact CG1-CZ3 4.16Å; V170-V201 HydrophobicContact CG1-CB 4.3Å; V170-V201 HydrophobicContact CG1-CG1 3.77Å; V170-V201 HydrophobicContact CG1-CG2 3.65Å; V170-V204 HydrophobicContact CG1-CG1 4.29Å; V170-V204 HydrophobicContact CG2-CG1 4.26Å
171	F	95.5	Very high	93.5	Very high	17 Å²	17	47.1 Å²	47.1	8%	0.075	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.1	-178.1	-61.7	-98.4	0	0	0	110.5	L169 Q173 F176 P180 G202 S203	L169-F171 HydrophobicContact CB-CD2 4.45Å; L169-F171 HydrophobicContact CB-CE2 3.67Å; L169-F171 HydrophobicContact CB-CZ 4.22Å; F171-Q173 VanDerWaalsContact C-N 3.25Å; F171-Q173 PolarHBondContact O-N 2.81Å; F171-F176 VanDerWaalsContact CD1-C 3.48Å; F171-F176 HydrophobicContact CD1-CB 4.47Å; F171-F176 WeakPolarHBondContact CD1-O 3.38Å; F171-F176 HydrophobicContact CD2-CB 4.25Å; F171-F176 HydrophobicContact CD2-CD1 4.02Å; F171-F176 HydrophobicContact CE1-CB 4.13Å; F171-F176 WeakPolarHBondContact CE1-O 3.34Å; F171-F176 HydrophobicContact CE2-CB 3.92Å; F171-F176 AromaticContact CE2-CD1 3.88Å; F171-F176 HydrophobicContact CE2-CD1 3.88Å; F171-F176 HydrophobicContact CE2-CG 4.34Å; F171-F176 HydrophobicContact CZ-CB 3.84Å; F171-P180 HydrophobicContact CD1-CB 3.97Å; F171-P180 HydrophobicContact CD2-CB 4.39Å; F171-P180 HydrophobicContact CE1-CB 3.56Å; F171-P180 HydrophobicContact CE1-CG 3.81Å; F171-P180 HydrophobicContact CE2-CB 4.01Å; F171-P180 HydrophobicContact CG-CB 4.37Å; F171-P180 HydrophobicContact CZ-CB 3.59Å; F171-P180 HydrophobicContact CZ-CG 3.92Å; F171-G202 PolarHBondContact O-N 2.91Å; F171-S203 WeakPolarHBondContact CB-OG 3.49Å; F171-S203 PolarHBondContact N-O 2.95Å; F171-S203 PolarHBondContact O-N 3.24Å
172	A	93.5	Very high	93.4	Very high	62 Å²	62	48.6 Å²	48.6	51%	0.512	28%	0.275	S	S	.	.	S	Bend	trans	-69.2	-26.4	176.6	0	0	0	0	0	112.7	Y200 G202	A172-Y200 WeakPolarHBondContact CA-O 3.33Å; A172-G202 PolarHBondContact O-N 2.83Å
173	Q	92.6	Very high	93.3	Very high	101 Å²	101	46.4 Å²	46.4	47%	0.472	26%	0.264	S	S	.	.	S	Bend	trans	-111.6	156.4	-177.7	-65	-171	15	0	0	111.4	F171 Q177 G202 S203	F171-Q173 VanDerWaalsContact C-N 3.25Å; F171-Q173 PolarHBondContact O-N 2.81Å; Q173-Q177 HydrophobicContact CB-CB 3.87Å; Q173-G202 CarbonylContact O-C 3.57Å; Q173-S203 PolarHBondContact O-N 3.29Å; Q173-S203 PolarHBondContact O-OG 3.31Å
174	P	91.8	Very high	93.1	Very high	22 Å²	22	48.2 Å²	48.2	14%	0.143	27%	0.272	C	S	.	.	S	Bend	trans	-67.5	166.1	172	31.7	-36.6	0	0	0	111.2	E147 F176 Q177 G202	E147-P174 CarbonylContact O-C 3.59Å; P174-F176 VanDerWaalsContact C-N 3.28Å; P174-F176 PolarHBondContact O-N 2.6Å; P174-Q177 WeakPolarHBondContact O-CG 3.5Å; P174-Q177 PolarHBondContact O-N 2.93Å; P174-G202 WeakPolarHBondContact CA-O 3.41Å
175	F	92	Very high	93.1	Very high	101 Å²	101	49.1 Å²	49.1	44%	0.443	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	37.5	178.7	-47.2	-72.1	0	0	0	113.4	E147 Q177	E147-F175 HydrophobicContact CB-CD1 4.19Å; E147-F175 HydrophobicContact CG-CD1 4.47Å; E147-F175 HydrophobicContact CG-CE1 4.43Å; E147-F175 WeakPolarHBondContact O-CA 3.44Å; E147-F175 PolarHBondContact O-N 3.04Å; F175-Q177 PolarHBondContact O-N 3.03Å
176	F	92.9	Very high	93.3	Very high	76 Å²	76	49.3 Å²	49.3	33%	0.333	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	32.1	176.2	-40.6	-61.5	0	0	0	113.8	T145 E147 F171 P174 S203 H205	T145-F176 HydrophobicContact CG2-CE1 3.72Å; T145-F176 HydrophobicContact CG2-CE2 4.38Å; T145-F176 HydrophobicContact CG2-CZ 3.3Å; E147-F176 VanDerWaalsContact CA-CZ 3.48Å; E147-F176 HydrophobicContact CB-CE2 3.92Å; E147-F176 HydrophobicContact CB-CZ 3.7Å; F171-F176 VanDerWaalsContact CD1-C 3.48Å; F171-F176 HydrophobicContact CD1-CB 4.47Å; F171-F176 WeakPolarHBondContact CD1-O 3.38Å; F171-F176 HydrophobicContact CD2-CB 4.25Å; F171-F176 HydrophobicContact CD2-CD1 4.02Å; F171-F176 HydrophobicContact CE1-CB 4.13Å; F171-F176 WeakPolarHBondContact CE1-O 3.34Å; F171-F176 HydrophobicContact CE2-CB 3.92Å; F171-F176 AromaticContact CE2-CD1 3.88Å; F171-F176 HydrophobicContact CE2-CD1 3.88Å; F171-F176 HydrophobicContact CE2-CG 4.34Å; F171-F176 HydrophobicContact CZ-CB 3.84Å; P174-F176 VanDerWaalsContact C-N 3.28Å; P174-F176 PolarHBondContact O-N 2.6Å; F176-S203 WeakPolarHBondContact CA-OG 3.4Å; F176-S203 PolarHBondContact N-OG 3.17Å; F176-H205 HydrophobicContact CD1-CB 4.18Å; F176-H205 HydrophobicContact CE1-CB 3.97Å
177	Q	90.8	Very high	93.5	Very high	104 Å²	104	51.4 Å²	51.4	49%	0.486	31%	0.306	S	S	.	.			trans	-84.6	141.8	-179.1	-66.1	-173.6	13.9	0	0	112.4	Q173 P174 F175	Q173-Q177 HydrophobicContact CB-CB 3.87Å; P174-Q177 WeakPolarHBondContact O-CG 3.5Å; P174-Q177 PolarHBondContact O-N 2.93Å; F175-Q177 PolarHBondContact O-N 3.03Å
178	G	87.3	Confident	93.6	Very high	58 Å²	58	53.1 Å²	53.1	60%	0.598	31%	0.313	S	S	*	.	S	Bend	trans	90.2	-174.5	179.4	0	0	0	0	0	113.7	P180	G178-P180 WeakPolarHBondContact O-CD 3.14Å
179	V	87.8	Confident	93.6	Very high	117 Å²	117	55.5 Å²	55.5	71%	0.709	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-79.9	119.5	178.6	-178	0	0	0	0	109.2
180	P	93.8	Very high	93.6	Very high	39 Å²	39	56.7 Å²	56.7	25%	0.253	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-69	156.8	179.3	24.9	-30.2	0	0	0	112.3	L169 V170 F171 G178	L169-P180 HydrophobicContact CB-CB 3.96Å; L169-P180 HydrophobicContact CD2-CB 4.39Å; V170-P180 CarbonylContact O-C 3.59Å; V170-P180 WeakPolarHBondContact O-CA 3.31Å; F171-P180 HydrophobicContact CD1-CB 3.97Å; F171-P180 HydrophobicContact CD2-CB 4.39Å; F171-P180 HydrophobicContact CE1-CB 3.56Å; F171-P180 HydrophobicContact CE1-CG 3.81Å; F171-P180 HydrophobicContact CE2-CB 4.01Å; F171-P180 HydrophobicContact CG-CB 4.37Å; F171-P180 HydrophobicContact CZ-CB 3.59Å; F171-P180 HydrophobicContact CZ-CG 3.92Å; G178-P180 WeakPolarHBondContact O-CD 3.14Å
181	R	94.7	Very high	93.6	Very high	89 Å²	89	57.6 Å²	57.6	34%	0.336	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.1	160.7	-63.9	-64.5	174.3	-100	5.9	109.4	L169 V170 L183 W194 G195 V196	L169-R181 WeakPolarHBondContact CA-O 3.24Å; V170-R181 HydrophobicContact CB-CB 4.47Å; V170-R181 PolarHBondContact N-O 2.85Å; V170-R181 PolarHBondContact O-N 2.98Å; R181-L183 HydrophobicContact CB-CD2 4.22Å; R181-W194 HydrophobicContact CB-CE3 4.22Å; R181-W194 HydrophobicContact CB-CZ3 4.49Å; R181-W194 HydrophobicContact CG-CE3 4.1Å; R181-W194 HydrophobicContact CG-CZ3 4.2Å; R181-G195 PolarHBondContact NE-O 2.85Å; R181-G195 PolarHBondContact NH2-O 3.3Å; R181-V196 HydrophobicContact CG-CG1 3.81Å
182	I	95.6	Very high	93.6	Very high	31 Å²	31	60.5 Å²	60.5	16%	0.159	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	102.5	-177.1	-61.2	169.8	0	0	0	107.9	K80 A82 L167 L169	K80-I182 HydrophobicContact CB-CD1 3.84Å; K80-I182 HydrophobicContact CD-CG2 4.34Å; K80-I182 VanDerWaalsContact O-CD1 3.26Å; K80-I182 WeakPolarHBondContact O-CD1 3.36Å; A82-I182 HydrophobicContact CB-CD1 3.95Å; A82-I182 HydrophobicContact CB-CG1 4.14Å; A82-I182 HydrophobicContact CB-CG2 4.24Å; L167-I182 HydrophobicContact CD1-CG2 4.1Å; L167-I182 HydrophobicContact CD2-CG2 3.51Å; L167-I182 HydrophobicContact CG-CG2 4.22Å; L169-I182 HydrophobicContact CD2-CB 4.48Å; L169-I182 HydrophobicContact CD2-CG1 3.73Å
183	L	95.1	Very high	93.5	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.1	-176.4	-52.3	-172.8	0	0	0	110.4	I127 I161 V163 L167 W168 V170 R181 Y188 W194	I127-L183 HydrophobicContact CD1-CD1 4.4Å; I161-L183 HydrophobicContact CD1-CD1 3.69Å; I161-L183 HydrophobicContact CG2-CD1 4.04Å; V163-L183 HydrophobicContact CG2-CB 3.88Å; L167-L183 WeakPolarHBondContact CA-O 3.33Å; W168-L183 PolarHBondContact N-O 3.31Å; W168-L183 PolarHBondContact O-N 2.82Å; V170-L183 HydrophobicContact CB-CD1 4.44Å; V170-L183 HydrophobicContact CG2-CD1 3.7Å; V170-L183 HydrophobicContact CG2-CG 4.17Å; R181-L183 HydrophobicContact CB-CD2 4.22Å; L183-Y188 HydrophobicContact CB-CE2 4.16Å; L183-Y188 HydrophobicContact CD2-CD1 4.43Å; L183-Y188 HydrophobicContact CD2-CE1 3.96Å; L183-W194 HydrophobicContact CD1-CB 4.34Å; L183-W194 HydrophobicContact CD2-CB 3.8Å
184	E	92.3	Very high	93.6	Very high	40 Å²	40	55.5 Å²	55.5	19%	0.187	34%	0.343	C	S	.	.			trans	-86.7	165.5	171.3	-66.5	175.9	-143.5	0	0	110.3	Y71 K80 R116 L167 G186 Y188	Y71-E184 PolarHBondContact OH-OE1 3.34Å; K80-E184 IonicContact NZ-OE1 3.18Å; K80-E184 PolarHBondContact NZ-OE1 2.83Å; R116-E184 IonicContact NH1-OE2 2.73Å; R116-E184 PolarHBondContact NH1-OE2 2.81Å; L167-E184 HydrophobicContact CD1-CG 3.96Å; L167-E184 HydrophobicContact CG-CG 4.33Å; E184-G186 PolarHBondContact O-N 2.78Å; E184-Y188 PolarHBondContact N-OH 2.85Å; E184-Y188 WeakPolarHBondContact O-CE2 3.18Å; E184-Y188 PolarHBondContact O-OH 2.82Å
185	V	93.2	Very high	93.5	Very high	93 Å²	93	56.4 Å²	56.4	56%	0.564	36%	0.356	S	S	*	.	S	Bend	trans	-48.3	125.2	173.8	177.4	0	0	0	0	111	V163 G166	V163-V185 HydrophobicContact CG1-CG2 4.34Å; V163-V185 WeakPolarHBondContact O-CA 3.45Å; G166-V185 WeakPolarHBondContact O-CG2 3.47Å
186	G	94.8	Very high	93.5	Very high	29 Å²	29	52.9 Å²	52.9	30%	0.299	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	154	172.5	-174.7	0	0	0	0	0	113.6	V163 E184	V163-G186 PolarHBondContact N-O 2.91Å; V163-G186 PolarHBondContact O-N 2.94Å; E184-G186 PolarHBondContact O-N 2.78Å
187	G	96.1	Very high	93.4	Very high	66 Å²	66	58.4 Å²	58.4	68%	0.68	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.3	175.4	0	0	0	0	0	111.7
188	Y	97.3	Very high	93.5	Very high	39 Å²	39	59.9 Å²	59.9	15%	0.153	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	101	178.5	-56	-96.4	0	0	0	107.9	S160 I161 V163 L183 E184 N190 A193 W194	S160-Y188 VanDerWaalsContact CA-O 3.28Å; S160-Y188 WeakPolarHBondContact CA-O 3.3Å; S160-Y188 WeakPolarHBondContact CB-O 3.37Å; I161-Y188 HydrophobicContact CB-CD2 4.3Å; I161-Y188 HydrophobicContact CG2-CD2 4.33Å; I161-Y188 PolarHBondContact N-O 2.9Å; I161-Y188 PolarHBondContact O-N 2.87Å; V163-Y188 HydrophobicContact CG2-CE2 4.06Å; L183-Y188 HydrophobicContact CB-CE2 4.16Å; L183-Y188 HydrophobicContact CD2-CD1 4.43Å; L183-Y188 HydrophobicContact CD2-CE1 3.96Å; E184-Y188 PolarHBondContact N-OH 2.85Å; E184-Y188 WeakPolarHBondContact O-CE2 3.18Å; E184-Y188 PolarHBondContact O-OH 2.82Å; Y188-N190 PolarHBondContact O-N 2.9Å; Y188-A193 WeakPolarHBondContact CD1-O 3.27Å; Y188-W194 HydrophobicContact CD1-CB 3.63Å; Y188-W194 HydrophobicContact CE1-CB 4.4Å; Y188-W194 HydrophobicContact CG-CB 3.87Å
189	S	96.6	Very high	93.8	Very high	50 Å²	50	57.8 Å²	57.8	35%	0.35	35%	0.352	S	S	.	.			trans	-73.9	-21.8	-164.4	50.1	0	0	0	0	115.2	E133 N134 S160	E133-S189 WeakPolarHBondContact CA-O 3.26Å; E133-S189 WeakPolarHBondContact CB-O 3.31Å; N134-S189 PolarHBondContact N-O 3.1Å; S160-S189 WeakPolarHBondContact CB-O 3.28Å
190	N	96.5	Very high	94.2	Very high	50 Å²	50	57 Å²	57	27%	0.267	34%	0.338	S	S	.	.	S	Bend	trans	-151.8	170.2	-178.2	60.3	57	0	0	0	110.8	E133 N159 Y188 A192 A193	E133-N190 HydrophobicContact CG-CB 4.2Å; N159-N190 CarbonylContact O-C 3.58Å; N159-N190 WeakPolarHBondContact O-CA 3.43Å; Y188-N190 PolarHBondContact O-N 2.9Å; N190-A192 VanDerWaalsContact C-N 3.31Å; N190-A192 PolarHBondContact O-N 3.1Å; N190-A192 WeakPolarHBondContact OD1-CB 3.25Å; N190-A192 PolarHBondContact OD1-N 3.09Å; N190-A193 WeakPolarHBondContact O-CB 3.49Å; N190-A193 PolarHBondContact O-N 3.19Å; N190-A193 PolarHBondContact OD1-N 3.38Å
191	P	95.9	Very high	94.2	Very high	21 Å²	21	55.2 Å²	55.2	14%	0.136	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-56.7	-38.8	-178.5	-27.7	37.6	0	0	0	114.6	N159 A193 W194 G195 V196 P199	N159-P191 VanDerWaalsContact O-CD 3.29Å; N159-P191 WeakPolarHBondContact O-CD 3.47Å; P191-A193 VanDerWaalsContact C-N 3.31Å; P191-A193 PolarHBondContact O-N 3.41Å; P191-W194 PolarHBondContact O-N 3.35Å; P191-G195 PolarHBondContact O-N 3.38Å; P191-V196 CarbonylContact C-O 3.55Å; P191-V196 VanDerWaalsContact C-O 3.27Å; P191-V196 HydrophobicContact CB-CG2 4.01Å; P191-V196 WeakPolarHBondContact CB-O 3.33Å; P191-V196 PolarHBondContact O-N 3.37Å; P191-P199 HydrophobicContact CB-CB 4.1Å; P191-P199 HydrophobicContact CG-CB 3.84Å; P191-P199 HydrophobicContact CG-CG 4.03Å
192	A	94.3	Very high	94.2	Very high	78 Å²	78	51 Å²	51	65%	0.645	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-66.4	-33.9	178.2	0	0	0	0	0	112	N190 W194 G195	N190-A192 VanDerWaalsContact C-N 3.31Å; N190-A192 PolarHBondContact O-N 3.1Å; N190-A192 WeakPolarHBondContact OD1-CB 3.25Å; N190-A192 PolarHBondContact OD1-N 3.09Å; A192-W194 VanDerWaalsContact C-N 3.26Å; A192-W194 PolarHBondContact O-N 3.26Å; A192-G195 PolarHBondContact O-N 2.79Å
193	A	93.1	Very high	94.1	Very high	49 Å²	49	49.5 Å²	49.5	41%	0.405	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-62.5	-31.5	179.6	0	0	0	0	0	112.9	Y188 N190 P191	Y188-A193 WeakPolarHBondContact CD1-O 3.27Å; N190-A193 WeakPolarHBondContact O-CB 3.49Å; N190-A193 PolarHBondContact O-N 3.19Å; N190-A193 PolarHBondContact OD1-N 3.38Å; P191-A193 VanDerWaalsContact C-N 3.31Å; P191-A193 PolarHBondContact O-N 3.41Å
194	W	93.1	Very high	94.2	Very high	10 Å²	10	49.3 Å²	49.3	4%	0.038	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-104.1	13.1	174.1	65.5	-88	0	0	0	113.7	A158 I161 V170 R181 L183 Y188 P191 A192 V196 P199 V201	A158-W194 HydrophobicContact CB-CZ2 4.4Å; A158-W194 WeakPolarHBondContact O-CZ2 3.25Å; A158-W194 PolarHBondContact O-NE1 2.74Å; I161-W194 HydrophobicContact CD1-CD2 3.67Å; I161-W194 HydrophobicContact CD1-CE3 4.03Å; I161-W194 HydrophobicContact CD1-CG 3.97Å; I161-W194 HydrophobicContact CD1-CH2 4.4Å; I161-W194 HydrophobicContact CD1-CZ2 4.06Å; I161-W194 HydrophobicContact CD1-CZ3 4.38Å; V170-W194 HydrophobicContact CG1-CZ3 4.16Å; R181-W194 HydrophobicContact CB-CE3 4.22Å; R181-W194 HydrophobicContact CB-CZ3 4.49Å; R181-W194 HydrophobicContact CG-CE3 4.1Å; R181-W194 HydrophobicContact CG-CZ3 4.2Å; L183-W194 HydrophobicContact CD1-CB 4.34Å; L183-W194 HydrophobicContact CD2-CB 3.8Å; Y188-W194 HydrophobicContact CD1-CB 3.63Å; Y188-W194 HydrophobicContact CE1-CB 4.4Å; Y188-W194 HydrophobicContact CG-CB 3.87Å; P191-W194 PolarHBondContact O-N 3.35Å; A192-W194 VanDerWaalsContact C-N 3.26Å; A192-W194 PolarHBondContact O-N 3.26Å; W194-V196 HydrophobicContact CD2-CG1 4.41Å; W194-V196 HydrophobicContact CD2-CG2 3.82Å; W194-V196 HydrophobicContact CE3-CB 4.46Å; W194-V196 HydrophobicContact CE3-CG1 3.71Å; W194-V196 HydrophobicContact CE3-CG2 3.92Å; W194-V196 HydrophobicContact CH2-CB 4.3Å; W194-V196 HydrophobicContact CH2-CG1 3.91Å; W194-V196 HydrophobicContact CH2-CG2 3.47Å; W194-V196 VanDerWaalsContact CH2-CG2 3.47Å; W194-V196 HydrophobicContact CZ2-CG2 3.35Å; W194-V196 HydrophobicContact CZ3-CB 4.24Å; W194-V196 HydrophobicContact CZ3-CG1 3.42Å; W194-V196 VanDerWaalsContact CZ3-CG1 3.42Å; W194-V196 HydrophobicContact CZ3-CG2 3.75Å; W194-P199 HydrophobicContact CZ2-CB 3.97Å; W194-V201 HydrophobicContact CH2-CG2 4.1Å
195	G	90.8	Very high	94.3	Very high	41 Å²	41	49.4 Å²	49.4	42%	0.423	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	31.9	163.9	0	0	0	0	0	115.7	R181 P191 A192	R181-G195 PolarHBondContact NE-O 2.85Å; R181-G195 PolarHBondContact NH2-O 3.3Å; P191-G195 PolarHBondContact O-N 3.38Å; A192-G195 PolarHBondContact O-N 2.79Å
196	V	92.4	Very high	94.4	Very high	27 Å²	27	45 Å²	45	16%	0.164	28%	0.275	C	S	.	.			trans	-131.3	150.1	176.9	-57.5	0	0	0	0	113.1	R181 P191 W194 Q198	R181-V196 HydrophobicContact CG-CG1 3.81Å; P191-V196 CarbonylContact C-O 3.55Å; P191-V196 VanDerWaalsContact C-O 3.27Å; P191-V196 HydrophobicContact CB-CG2 4.01Å; P191-V196 WeakPolarHBondContact CB-O 3.33Å; P191-V196 PolarHBondContact O-N 3.37Å; W194-V196 HydrophobicContact CD2-CG1 4.41Å; W194-V196 HydrophobicContact CD2-CG2 3.82Å; W194-V196 HydrophobicContact CE3-CB 4.46Å; W194-V196 HydrophobicContact CE3-CG1 3.71Å; W194-V196 HydrophobicContact CE3-CG2 3.92Å; W194-V196 HydrophobicContact CH2-CB 4.3Å; W194-V196 HydrophobicContact CH2-CG1 3.91Å; W194-V196 HydrophobicContact CH2-CG2 3.47Å; W194-V196 VanDerWaalsContact CH2-CG2 3.47Å; W194-V196 HydrophobicContact CZ2-CG2 3.35Å; W194-V196 HydrophobicContact CZ3-CB 4.24Å; W194-V196 HydrophobicContact CZ3-CG1 3.42Å; W194-V196 VanDerWaalsContact CZ3-CG1 3.42Å; W194-V196 HydrophobicContact CZ3-CG2 3.75Å; V196-Q198 WeakPolarHBondContact CG2-O 3.33Å
197	E	90.4	Very high	94.3	Very high	192 Å²	192	43.7 Å²	43.7	90%	0.897	26%	0.261	S	S	*	.	S	Bend	trans	-84.1	-40.5	168.1	-63.1	-175.3	171.3	0	0	111.4
198	Q	92.2	Very high	94	Very high	134 Å²	134	44 Å²	44	63%	0.626	24%	0.244	S	C	*	.	S	Bend	trans	-108.2	118.3	177.7	-64	-168.9	1.6	0	0	110.4	V196 Y200	V196-Q198 WeakPolarHBondContact CG2-O 3.33Å; Q198-Y200 HydrophobicContact CB-CD2 3.8Å; Q198-Y200 HydrophobicContact CB-CE2 4.07Å; Q198-Y200 PolarHBondContact O-N 2.93Å
199	P	94.4	Very high	93.7	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.091	24%	0.24	C	C	.	.			trans	-84	45	-172.1	32.5	-33.8	0	0	0	113	K157 A158 N159 P191 W194	K157-P199 CarbonylContact C-O 3.52Å; K157-P199 WeakPolarHBondContact CA-O 3.42Å; K157-P199 HydrophobicContact CG-CG 4.05Å; A158-P199 PolarHBondContact N-O 2.92Å; A158-P199 VanDerWaalsContact O-CB 3.29Å; A158-P199 WeakPolarHBondContact O-CB 3.37Å; N159-P199 WeakPolarHBondContact OD1-CG 3.45Å; P191-P199 HydrophobicContact CB-CB 4.1Å; P191-P199 HydrophobicContact CG-CB 3.84Å; P191-P199 HydrophobicContact CG-CG 4.03Å; W194-P199 HydrophobicContact CZ2-CB 3.97Å
200	Y	95.1	Very high	93.3	Very high	102 Å²	102	41.3 Å²	41.3	40%	0.4	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.1	178.9	-63.8	-62.2	0	0	0	111	P155 I156 K157 A172 Q198	P155-Y200 HydrophobicContact CB-CD1 4.15Å; P155-Y200 HydrophobicContact CB-CG 4.42Å; I156-Y200 CarbonylContact O-C 3.54Å; I156-Y200 WeakPolarHBondContact O-CA 3.43Å; K157-Y200 HydrophobicContact CG-CE1 4.45Å; A172-Y200 WeakPolarHBondContact CA-O 3.33Å; Q198-Y200 HydrophobicContact CB-CD2 3.8Å; Q198-Y200 HydrophobicContact CB-CE2 4.07Å; Q198-Y200 PolarHBondContact O-N 2.93Å
201	V	95.5	Very high	93.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.4	175.5	-179.1	0	0	0	0	108.6	L129 I156 A158 V170 W194 V204	L129-V201 HydrophobicContact CD1-CB 4.13Å; L129-V201 HydrophobicContact CD1-CG1 3.93Å; L129-V201 HydrophobicContact CD1-CG2 4.21Å; I156-V201 HydrophobicContact CB-CB 4.4Å; I156-V201 PolarHBondContact N-O 2.82Å; I156-V201 PolarHBondContact O-N 3.06Å; A158-V201 HydrophobicContact CB-CG2 3.82Å; V170-V201 HydrophobicContact CG1-CB 4.3Å; V170-V201 HydrophobicContact CG1-CG1 3.77Å; V170-V201 HydrophobicContact CG1-CG2 3.65Å; W194-V201 HydrophobicContact CH2-CG2 4.1Å; V201-V204 HydrophobicContact CG1-CG1 3.61Å
202	G	92.8	Very high	92.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-105.6	-28.6	179.3	0	0	0	0	0	113.4	A149 F171 A172 Q173 P174	A149-G202 PolarHBondContact N-O 3.1Å; F171-G202 PolarHBondContact O-N 2.91Å; A172-G202 PolarHBondContact O-N 2.83Å; Q173-G202 CarbonylContact O-C 3.57Å; P174-G202 WeakPolarHBondContact CA-O 3.41Å
203	S	95.2	Very high	92.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	156.5	172.7	54.9	0	0	0	0	111.6	A146 E147 F171 Q173 F176	A146-S203 VanDerWaalsContact O-CA 3.26Å; A146-S203 WeakPolarHBondContact O-CA 3.39Å; A146-S203 WeakPolarHBondContact O-CB 3.44Å; E147-S203 WeakPolarHBondContact O-CB 3.33Å; F171-S203 WeakPolarHBondContact CB-OG 3.49Å; F171-S203 PolarHBondContact N-O 2.95Å; F171-S203 PolarHBondContact O-N 3.24Å; Q173-S203 PolarHBondContact O-N 3.29Å; Q173-S203 PolarHBondContact O-OG 3.31Å; F176-S203 WeakPolarHBondContact CA-OG 3.4Å; F176-S203 PolarHBondContact N-OG 3.17Å
204	V	95.8	Very high	92.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.6	179	-65.4	0	0	0	0	110.6	F142 T145 A146 W168 L169 V170 V201	F142-V204 HydrophobicContact CB-CG2 4.02Å; F142-V204 HydrophobicContact CD1-CG2 3.77Å; F142-V204 HydrophobicContact CD2-CG2 4.19Å; F142-V204 HydrophobicContact CE1-CG2 4.26Å; F142-V204 HydrophobicContact CG-CG2 3.73Å; T145-V204 CarbonylContact C-O 3.52Å; T145-V204 WeakPolarHBondContact CA-O 3.32Å; A146-V204 HydrophobicContact CB-CG2 3.89Å; A146-V204 PolarHBondContact N-O 3.42Å; A146-V204 PolarHBondContact O-N 3.46Å; W168-V204 HydrophobicContact CE3-CB 3.98Å; W168-V204 HydrophobicContact CE3-CG2 4.32Å; W168-V204 HydrophobicContact CZ3-CB 4.03Å; W168-V204 HydrophobicContact CZ3-CG2 3.85Å; L169-V204 CarbonylContact O-C 3.4Å; L169-V204 WeakPolarHBondContact O-CA 3.31Å; V170-V204 HydrophobicContact CG1-CG1 4.29Å; V170-V204 HydrophobicContact CG2-CG1 4.26Å; V201-V204 HydrophobicContact CG1-CG1 3.61Å
205	H	95	Very high	91.6	Very high	42 Å²	42	38 Å²	38	19%	0.194	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	113.5	179.4	-177.4	75.5	0	0	0	110.6	D84 T145 L169 F176	D84-H205 IonicContact OD2-CD2 3.33Å; D84-H205 IonicContact OD2-CE1 3.31Å; D84-H205 IonicContact OD2-NE2 2.95Å; D84-H205 PolarHBondContact OD2-NE2 3.34Å; T145-H205 HydrophobicContact CG2-CB 4.4Å; T145-H205 WeakPolarHBondContact CG2-ND1 3.49Å; T145-H205 PolarHBondContact OG1-CE1 3.02Å; T145-H205 PolarHBondContact OG1-ND1 3.03Å; L169-H205 HydrophobicContact CB-CB 4.32Å; L169-H205 WeakPolarHBondContact CB-O 3.33Å; L169-H205 PolarHBondContact N-O 3.12Å; L169-H205 PolarHBondContact O-N 3.15Å; F176-H205 HydrophobicContact CD1-CB 4.18Å; F176-H205 HydrophobicContact CE1-CB 3.97Å
206	P	94.8	Very high	91.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	144.8	171	32	-29.4	0	0	0	111	P125 T145 L167 W168 K208	P125-P206 HydrophobicContact CB-CB 3.62Å; P125-P206 HydrophobicContact CB-CG 4.25Å; P125-P206 HydrophobicContact CG-CB 3.52Å; P125-P206 HydrophobicContact CG-CG 3.62Å; T145-P206 WeakPolarHBondContact OG1-CD 3.4Å; L167-P206 CarbonylContact O-C 3.5Å; L167-P206 VanDerWaalsContact O-CA 3.31Å; L167-P206 WeakPolarHBondContact O-CA 3.14Å; W168-P206 HydrophobicContact CD2-CB 3.82Å; W168-P206 HydrophobicContact CE3-CB 3.89Å; W168-P206 HydrophobicContact CE3-CG 4.19Å; W168-P206 HydrophobicContact CG-CB 4.48Å; W168-P206 HydrophobicContact CH2-CB 4Å; W168-P206 HydrophobicContact CH2-CG 3.78Å; W168-P206 HydrophobicContact CZ2-CB 3.91Å; W168-P206 HydrophobicContact CZ2-CG 4.15Å; W168-P206 HydrophobicContact CZ3-CB 4Å; W168-P206 VanDerWaalsContact CZ3-CD 3.47Å; W168-P206 HydrophobicContact CZ3-CG 3.81Å; P206-K208 HydrophobicContact CG-CG 4.49Å
207	L	93.8	Very high	90.2	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	19%	0.192	C	C	.	.			trans	-70.9	138.2	164.1	-68.5	112.5	0	0	0	109.9	A82 L83 D84 V119 L167	A82-L207 HydrophobicContact CB-CD1 3.98Å; A82-L207 HydrophobicContact CB-CD2 4.47Å; L83-L207 WeakPolarHBondContact O-CD2 3.5Å; D84-L207 HydrophobicContact CB-CD2 4.14Å; V119-L207 HydrophobicContact CG2-CB 3.7Å; L167-L207 HydrophobicContact CB-CD1 3.79Å; L167-L207 HydrophobicContact CD1-CD1 4.29Å; L167-L207 HydrophobicContact CD2-CD1 3.15Å; L167-L207 HydrophobicContact CG-CD1 3.87Å; L167-L207 PolarHBondContact O-N 2.89Å
208	K	89.6	Confident	89.2	Confident	72 Å²	72	32.5 Å²	32.5	31%	0.313	16%	0.158	S	C	.	.			trans	-131.2	163	180	-70	-179.1	169.1	-174	0	110.5	D144 P206	D144-K208 WeakPolarHBondContact OD1-CE 3.4Å; D144-K208 IonicContact OD1-NZ 2.76Å; D144-K208 PolarHBondContact OD1-NZ 2.89Å; D144-K208 IonicContact OD2-NZ 2.68Å; D144-K208 PolarHBondContact OD2-NZ 3.22Å; P206-K208 HydrophobicContact CG-CG 4.49Å
209	V	89.7	Confident	88.6	Confident	11 Å²	11	29.2 Å²	29.2	7%	0.067	14%	0.143	C	C	.	.			trans	-89.4	133.3	168.2	-170.4	0	0	0	0	107.4	R65 E85 V119 D121 Y122	R65-V209 HydrophobicContact CG-CG1 4.25Å; E85-V209 WeakPolarHBondContact OE1-CG1 3.24Å; V119-V209 HydrophobicContact CB-CG2 4.44Å; V119-V209 HydrophobicContact CG1-CG2 3.7Å; D121-V209 WeakPolarHBondContact O-CG2 3.42Å; Y122-V209 HydrophobicContact CD1-CB 4.33Å; Y122-V209 HydrophobicContact CE1-CB 4.06Å; Y122-V209 HydrophobicContact CE1-CG1 4.37Å; Y122-V209 WeakPolarHBondContact CE1-O 3.43Å
210	G	89.3	Confident	88.3	Confident	22 Å²	22	28.9 Å²	28.9	23%	0.227	14%	0.141	C	C	.	.			trans	-77.8	-157.7	177	0	0	0	0	0	112.4	R24 E85 Y122	R24-G210 PolarHBondContact NH1-O 3.36Å; E85-G210 PolarHBondContact OE1-N 2.96Å; E85-G210 VanDerWaalsContact OE1-N 3.08Å; E85-G210 VanDerWaalsContact OE2-CA 3.29Å; E85-G210 WeakPolarHBondContact OE2-CA 3.15Å; E85-G210 PolarHBondContact OE2-N 3.05Å; E85-G210 VanDerWaalsContact OE2-N 3.08Å; Y122-G210 WeakPolarHBondContact CE1-O 3.35Å; Y122-G210 PolarHBondContact OH-O 2.81Å
211	E	91.9	Very high	88.1	Confident	53 Å²	53	28.8 Å²	28.8	25%	0.248	14%	0.142	C	C	.	.	S	Bend	trans	-74.9	159.6	177.8	-51.4	85.4	172.3	0	0	112.4	R24 R213 A340 L403	R24-E211 PolarHBondContact NH1-O 3.06Å; R24-E211 PolarHBondContact NH2-O 2.99Å; E211-R213 PolarHBondContact O-N 2.96Å; E211-R213 IonicContact OE2-CZ 3.57Å; E211-R213 IonicContact OE2-NH2 3.53Å; E211-R213 PolarHBondContact OE2-NH2 3.19Å; E211-A340 HydrophobicContact CG-CB 4.08Å; E211-L403 HydrophobicContact CB-CD1 3.97Å; E211-L403 HydrophobicContact CB-CG 4.38Å; E211-L403 HydrophobicContact CG-CD1 4.09Å
212	P	92.3	Very high	88	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.			trans	-49.7	121.6	165.2	-29.7	37.3	0	0	0	112.5	L283 I364 Q400 I402 L403	P212-L283 HydrophobicContact CB-CD2 3.69Å; P212-L283 HydrophobicContact CG-CD2 3.74Å; P212-I364 HydrophobicContact CB-CD1 4.48Å; P212-I364 HydrophobicContact CG-CD1 3.71Å; P212-Q400 VanDerWaalsContact CD-CD 3.43Å; P212-Q400 VanDerWaalsContact CD-OE1 3.24Å; P212-Q400 HydrophobicContact CG-CG 4.25Å; P212-I402 HydrophobicContact CB-CB 4.46Å; P212-I402 HydrophobicContact CB-CG1 4.2Å; P212-I402 HydrophobicContact CB-CG2 4.29Å; P212-L403 PolarHBondContact O-N 3.46Å
213	R	87.1	Confident	88.1	Confident	52 Å²	52	29.6 Å²	29.6	20%	0.196	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135	-179.7	-70.4	-179.7	-170.5	-86.6	-6.6	111.6	R65 E211 L403 Q405	R65-R213 PolarHBondContact NH2-O 2.83Å; E211-R213 PolarHBondContact O-N 2.96Å; E211-R213 IonicContact OE2-CZ 3.57Å; E211-R213 IonicContact OE2-NH2 3.53Å; E211-R213 PolarHBondContact OE2-NH2 3.19Å; R213-L403 CarbonylContact C-O 3.59Å; R213-L403 VanDerWaalsContact CA-O 3.25Å; R213-L403 WeakPolarHBondContact CA-O 3.38Å; R213-L403 HydrophobicContact CG-CB 4.33Å; R213-Q405 VanDerWaalsContact CB-OE1 3.31Å; R213-Q405 VanDerWaalsContact CD-OE1 3.24Å
214	V	85	Confident	88.1	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.9	-177.9	-162.9	0	0	0	0	111.2	M217 I268 L312 I402 L403 Q405	V214-M217 HydrophobicContact CB-CG 4.32Å; V214-M217 HydrophobicContact CB-SD 3.82Å; V214-M217 HydrophobicContact CG1-CG 4.06Å; V214-M217 HydrophobicContact CG1-SD 3.5Å; V214-M217 WeakPolarHBondContact CG1-SD 3.17Å; V214-M217 HydrophobicContact CG2-SD 4.14Å; V214-I268 HydrophobicContact CG1-CB 4.12Å; V214-I268 HydrophobicContact CG1-CG2 4.28Å; V214-I268 HydrophobicContact CG2-CB 3.64Å; V214-I268 HydrophobicContact CG2-CD1 3.41Å; V214-I268 VanDerWaalsContact CG2-CD1 3.41Å; V214-I268 HydrophobicContact CG2-CG1 4.16Å; V214-I268 HydrophobicContact CG2-CG2 3.72Å; V214-L312 HydrophobicContact CB-CD1 4.29Å; V214-L312 HydrophobicContact CG2-CD1 3.87Å; V214-I402 HydrophobicContact CG2-CG2 3.83Å; V214-L403 PolarHBondContact N-O 2.89Å; V214-Q405 PolarHBondContact O-N 3.24Å
215	E	81.4	Confident	88	Confident	30 Å²	30	31.5 Å²	31.5	14%	0.14	16%	0.155	C	C	.	.	S	Bend	trans	-83.2	-44.7	179.9	-70.7	172.3	85.6	0	0	112.3	K27 Y29 E286 Q405 H407	K27-E215 VanDerWaalsContact CD-OE2 3.25Å; K27-E215 WeakPolarHBondContact CD-OE2 3.3Å; K27-E215 WeakPolarHBondContact CE-OE2 3.26Å; K27-E215 VanDerWaalsContact NZ-CD 3.26Å; K27-E215 IonicContact NZ-OE1 2.79Å; K27-E215 PolarHBondContact NZ-OE1 3.36Å; K27-E215 IonicContact NZ-OE2 2.81Å; K27-E215 PolarHBondContact NZ-OE2 2.76Å; Y29-E215 WeakPolarHBondContact CE2-OE1 3.42Å; Y29-E215 PolarHBondContact OH-OE1 2.99Å; E215-E286 WeakPolarHBondContact CB-OE2 3.39Å; E215-E286 PolarHBondContact N-OE2 2.89Å; E215-Q405 HydrophobicContact CB-CB 4.32Å; E215-Q405 HydrophobicContact CG-CB 3.61Å; E215-Q405 HydrophobicContact CG-CG 3.75Å; E215-H407 IonicContact OE1-CE1 3.36Å
216	N	79.3	Confident	87.9	Confident	47 Å²	47	31.2 Å²	31.2	25%	0.251	15%	0.154	S	C	.	.			trans	-124.5	80.1	-173.3	-173.2	4.2	0	0	0	112.3	S218 E219 G267 E286	N216-S218 PolarHBondContact O-N 2.97Å; N216-S218 PolarHBondContact OD1-N 3.34Å; N216-S218 PolarHBondContact OD1-OG 2.82Å; N216-E219 PolarHBondContact OD1-N 2.97Å; N216-G267 VanDerWaalsContact O-CA 3.3Å; N216-G267 WeakPolarHBondContact O-CA 3.38Å; N216-G267 PolarHBondContact O-N 2.84Å; N216-E286 WeakPolarHBondContact CA-OE1 3.04Å; N216-E286 WeakPolarHBondContact CB-OE1 3.42Å; N216-E286 PolarHBondContact N-OE1 2.86Å
217	M	74.5	Confident	87.8	Confident	71 Å²	71	36.9 Å²	36.9	35%	0.35	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.5	172.2	-69.3	-65.2	-72.7	0	0	113.6	V214 I268 L312	V214-M217 HydrophobicContact CB-CG 4.32Å; V214-M217 HydrophobicContact CB-SD 3.82Å; V214-M217 HydrophobicContact CG1-CG 4.06Å; V214-M217 HydrophobicContact CG1-SD 3.5Å; V214-M217 WeakPolarHBondContact CG1-SD 3.17Å; V214-M217 HydrophobicContact CG2-SD 4.14Å; M217-I268 HydrophobicContact CE-CG2 4.34Å; M217-I268 HydrophobicContact SD-CG2 3.85Å; M217-L312 HydrophobicContact CE-CD1 3.7Å; M217-L312 HydrophobicContact CE-CG 3.9Å; M217-L312 HydrophobicContact CG-CD1 4.29Å; M217-L312 HydrophobicContact SD-CD1 3.53Å; M217-L312 VanDerWaalsContact SD-CD1 3.53Å; M217-L312 HydrophobicContact SD-CG 4.38Å
218	S	68.5	Low	87.9	Confident	28 Å²	28	39.6 Å²	39.6	20%	0.196	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-24.8	-166.6	70.1	0	0	0	0	115.4	N216	N216-S218 PolarHBondContact O-N 2.97Å; N216-S218 PolarHBondContact OD1-N 3.34Å; N216-S218 PolarHBondContact OD1-OG 2.82Å
219	E	79.3	Confident	88.2	Confident	65 Å²	65	43.8 Å²	43.8	30%	0.304	21%	0.211	S	C	.	.	S	Bend	trans	-133.8	74.4	-174.4	-70.5	177.4	-171.3	0	0	109.7	N216 K221 G266 K415 I417	N216-E219 PolarHBondContact OD1-N 2.97Å; E219-K221 PolarHBondContact O-N 3.35Å; E219-G266 CarbonylContact O-C 3.55Å; E219-G266 WeakPolarHBondContact O-CA 3.16Å; E219-K415 WeakPolarHBondContact OE1-CE 3.38Å; E219-K415 IonicContact OE1-NZ 3.78Å; E219-K415 PolarHBondContact OE1-NZ 2.85Å; E219-I417 HydrophobicContact CG-CD1 3.71Å; E219-I417 VanDerWaalsContact OE1-CD1 3.29Å; E219-I417 WeakPolarHBondContact OE1-CD1 3.24Å
220	P	87.8	Confident	88.5	Confident	7 Å²	7	45.6 Å²	45.6	5%	0.045	22%	0.218	C	C	.	.			trans	-56.3	116.2	172.9	19.6	-30.8	0	0	0	109.1	S238 G266 W269 I307 R448	P220-S238 WeakPolarHBondContact O-CA 3.3Å; P220-G266 WeakPolarHBondContact CA-O 3.18Å; P220-W269 HydrophobicContact CB-CH2 4.13Å; P220-W269 HydrophobicContact CB-CZ2 3.53Å; P220-I307 HydrophobicContact CB-CD1 3.63Å; P220-I307 HydrophobicContact CB-CG1 3.86Å; P220-I307 HydrophobicContact CB-CG2 4.03Å; P220-I307 HydrophobicContact CG-CD1 3.65Å; P220-I307 HydrophobicContact CG-CG1 4.34Å; P220-I307 HydrophobicContact CG-CG2 4.25Å; P220-R448 VanDerWaalsContact CG-NH1 3.32Å
221	K	91.6	Very high	88.7	Confident	99 Å²	99	47 Å²	47	43%	0.43	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	131.4	177.3	-170	176.7	-176.3	175.5	0	110.6	E219 T236 I237 L265 G266	E219-K221 PolarHBondContact O-N 3.35Å; K221-T236 HydrophobicContact CD-CG2 4.41Å; K221-T236 HydrophobicContact CG-CG2 3.98Å; K221-I237 CarbonylContact C-O 3.56Å; K221-I237 WeakPolarHBondContact CA-O 3.34Å; K221-L265 HydrophobicContact CB-CB 4.34Å; K221-L265 HydrophobicContact CD-CD1 4.13Å; K221-L265 HydrophobicContact CG-CB 4.5Å; K221-L265 HydrophobicContact CG-CD1 4.25Å; K221-L265 WeakPolarHBondContact O-CA 3.37Å; K221-L265 WeakPolarHBondContact O-CB 3.5Å; K221-L265 PolarHBondContact O-N 2.88Å; K221-G266 PolarHBondContact N-O 3.41Å; K221-G266 PolarHBondContact O-N 2.9Å
222	M	94.3	Very high	88.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.8	175.7	169.6	171.8	42.2	0	0	109.9	I224 T236 I237 L262 K263 V264 W269 V305	M222-I224 HydrophobicContact CG-CG2 4.14Å; M222-I224 HydrophobicContact SD-CG2 4.1Å; M222-T236 CarbonylContact O-C 3.58Å; M222-T236 WeakPolarHBondContact O-CA 3.37Å; M222-I237 HydrophobicContact CE-CD1 4.48Å; M222-I237 PolarHBondContact N-O 2.85Å; M222-I237 PolarHBondContact O-N 3.34Å; M222-L262 HydrophobicContact SD-CB 4.25Å; M222-L262 HydrophobicContact SD-CD1 3.94Å; M222-L262 HydrophobicContact SD-CD2 4.17Å; M222-L262 HydrophobicContact SD-CG 4.37Å; M222-K263 CarbonylContact C-O 3.59Å; M222-K263 VanDerWaalsContact CA-O 3.26Å; M222-K263 WeakPolarHBondContact CA-O 3.46Å; M222-K263 WeakPolarHBondContact CG-O 3.39Å; M222-V264 HydrophobicContact CG-CG2 4.44Å; M222-V264 HydrophobicContact SD-CG2 4.16Å; M222-W269 HydrophobicContact CB-CZ2 4.28Å; M222-W269 HydrophobicContact CE-CD2 4.02Å; M222-W269 HydrophobicContact CE-CE3 3.92Å; M222-W269 HydrophobicContact CE-CG 4.44Å; M222-W269 HydrophobicContact CE-CZ3 4.25Å; M222-V305 HydrophobicContact CE-CB 4.15Å; M222-V305 HydrophobicContact CE-CG1 3.93Å; M222-V305 HydrophobicContact CE-CG2 3.77Å
223	V	94.6	Very high	88.7	Confident	17 Å²	17	51.7 Å²	51.7	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.7	169.8	-172.6	0	0	0	0	108.4	Y225 R235 L262 K263 L265	V223-Y225 HydrophobicContact CB-CE2 3.97Å; V223-Y225 HydrophobicContact CG1-CD2 4.38Å; V223-Y225 HydrophobicContact CG1-CE1 4.36Å; V223-Y225 HydrophobicContact CG1-CE2 3.62Å; V223-R235 WeakPolarHBondContact CA-O 3.46Å; V223-L262 CarbonylContact O-C 3.52Å; V223-L262 VanDerWaalsContact O-CA 3.3Å; V223-L262 WeakPolarHBondContact O-CA 3.29Å; V223-K263 PolarHBondContact N-O 3.33Å; V223-K263 PolarHBondContact O-N 3.49Å; V223-L265 HydrophobicContact CG2-CD1 3.9Å
224	I	94	Very high	88.9	Confident	2 Å²	2	52 Å²	52	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	149.8	175	60.7	162.6	0	0	0	110.2	M222 S234 R235 I237 F244 M256 L259 L262	M222-I224 HydrophobicContact CG-CG2 4.14Å; M222-I224 HydrophobicContact SD-CG2 4.1Å; I224-S234 CarbonylContact O-C 3.55Å; I224-S234 WeakPolarHBondContact O-CA 3.24Å; I224-S234 WeakPolarHBondContact O-CB 3.47Å; I224-R235 HydrophobicContact CD1-CB 4.32Å; I224-R235 HydrophobicContact CG1-CB 3.93Å; I224-R235 PolarHBondContact N-O 2.82Å; I224-R235 PolarHBondContact O-N 2.82Å; I224-I237 HydrophobicContact CD1-CD1 3.81Å; I224-I237 HydrophobicContact CG1-CD1 3.91Å; I224-I237 HydrophobicContact CG1-CG1 4.45Å; I224-I237 HydrophobicContact CG2-CD1 3.79Å; I224-F244 HydrophobicContact CD1-CB 4.35Å; I224-F244 HydrophobicContact CD1-CD1 4.02Å; I224-F244 HydrophobicContact CD1-CG 4.24Å; I224-M256 HydrophobicContact CD1-CE 4.09Å; I224-M256 HydrophobicContact CD1-SD 3.89Å; I224-M256 HydrophobicContact CG1-CE 4.2Å; I224-M256 HydrophobicContact CG1-SD 4.22Å; I224-L259 HydrophobicContact CB-CD1 4Å; I224-L259 HydrophobicContact CB-CG 4.34Å; I224-L259 HydrophobicContact CD1-CD1 4.32Å; I224-L259 HydrophobicContact CG2-CD1 3.75Å; I224-L259 HydrophobicContact CG2-CG 4.5Å; I224-L262 HydrophobicContact CG2-CB 4.13Å
225	Y	94.4	Very high	89	Confident	39 Å²	39	53.1 Å²	53.1	15%	0.153	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.4	-178.4	-61.3	-98.8	0	0	0	110.7	V223 K227 F230 K233 M256 G260 S261 K263	V223-Y225 HydrophobicContact CB-CE2 3.97Å; V223-Y225 HydrophobicContact CG1-CD2 4.38Å; V223-Y225 HydrophobicContact CG1-CE1 4.36Å; V223-Y225 HydrophobicContact CG1-CE2 3.62Å; Y225-K227 VanDerWaalsContact C-N 3.3Å; Y225-K227 PolarHBondContact O-N 3.09Å; Y225-F230 HydrophobicContact CD1-CB 4.17Å; Y225-F230 WeakPolarHBondContact CD1-O 3.48Å; Y225-F230 HydrophobicContact CD2-CB 4.25Å; Y225-F230 AromaticContact CD2-CD1 3.96Å; Y225-F230 HydrophobicContact CD2-CD1 3.96Å; Y225-F230 HydrophobicContact CE1-CB 4.03Å; Y225-F230 HydrophobicContact CE2-CB 4.16Å; Y225-F230 AromaticContact CE2-CD1 3.96Å; Y225-F230 HydrophobicContact CE2-CD1 3.96Å; Y225-F230 HydrophobicContact CE2-CG 4.49Å; Y225-F230 HydrophobicContact CG-CB 4.28Å; Y225-K233 CarbonylContact C-O 3.59Å; Y225-K233 WeakPolarHBondContact CA-O 3.43Å; Y225-M256 VanDerWaalsContact C-CE 3.47Å; Y225-G260 PolarHBondContact O-N 2.84Å; Y225-S261 WeakPolarHBondContact CB-OG 3.27Å; Y225-S261 PolarHBondContact N-O 3.24Å; Y225-S261 PolarHBondContact O-N 3.12Å; Y225-K263 HydrophobicContact CE2-CD 4.33Å; Y225-K263 HydrophobicContact CE2-CG 3.97Å
226	E	92.4	Very high	89.4	Confident	36 Å²	36	55.5 Å²	55.5	17%	0.168	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-35.5	-176.8	-177.9	175.6	-154.5	0	0	112.4	K233 M256 S258 G260	E226-K233 HydrophobicContact CB-CB 4.3Å; E226-K233 PolarHBondContact N-O 2.84Å; E226-K233 WeakPolarHBondContact OE2-CG 3.33Å; E226-K233 PolarHBondContact OE2-N 3.45Å; E226-M256 HydrophobicContact CB-CE 3.98Å; E226-M256 VanDerWaalsContact N-CE 3.26Å; E226-S258 WeakPolarHBondContact CA-O 3.35Å; E226-S258 PolarHBondContact O-OG 2.85Å; E226-G260 PolarHBondContact O-N 2.87Å
227	K	94.1	Very high	89.8	Confident	118 Å²	118	53.3 Å²	53.3	51%	0.513	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	161.6	-176.2	-63.3	-177.8	-179.2	-176.9	0	111.9	Y225 S231 G260 S261	Y225-K227 VanDerWaalsContact C-N 3.3Å; Y225-K227 PolarHBondContact O-N 3.09Å; K227-S231 WeakPolarHBondContact CB-O 3.41Å; K227-S231 VanDerWaalsContact CB-OG 3.28Å; K227-S231 WeakPolarHBondContact CB-OG 3.34Å; K227-S231 PolarHBondContact N-O 2.65Å; K227-S231 VanDerWaalsContact N-O 3.09Å; K227-G260 CarbonylContact O-C 3.58Å; K227-S261 PolarHBondContact O-N 3.25Å; K227-S261 PolarHBondContact O-OG 2.98Å
228	P	95.6	Very high	90.4	Very high	60 Å²	60	50.7 Å²	50.7	39%	0.39	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	161.2	170	-26.4	36.8	0	0	0	112.8	F230 S231 G260 H290 D291	P228-F230 VanDerWaalsContact C-N 3.3Å; P228-F230 PolarHBondContact O-N 2.96Å; P228-S231 PolarHBondContact O-OG 3.13Å; P228-G260 WeakPolarHBondContact CA-O 3.34Å; P228-H290 CarbonylContact C-O 3.6Å; P228-H290 WeakPolarHBondContact CA-O 3.32Å; P228-H290 WeakPolarHBondContact CB-O 3.5Å; P228-D291 HydrophobicContact CB-CB 4.44Å
229	Y	95.1	Very high	91.2	Very high	160 Å²	160	50.2 Å²	50.2	63%	0.627	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	40.6	177.6	-55.4	-84.9	0	0	0	113.9	S231 H290	Y229-S231 VanDerWaalsContact C-N 3.33Å; Y229-S231 PolarHBondContact O-N 2.79Å; Y229-H290 HydrophobicContact CD1-CB 3.72Å; Y229-H290 HydrophobicContact CE1-CB 3.96Å; Y229-H290 AromaticContact CE1-CG 3.87Å; Y229-H290 AromaticContact CE1-ND1 3.81Å; Y229-H290 HydrophobicContact CG-CB 4.38Å; Y229-H290 PolarHBondContact N-O 3.31Å
230	F	95.5	Very high	91.7	Very high	49 Å²	49	50.8 Å²	50.8	22%	0.215	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	39.9	171.7	-40.1	-60.6	0	0	0	113.8	Y225 P228 S261 L262 K263 E288 Y289 H290	Y225-F230 HydrophobicContact CD1-CB 4.17Å; Y225-F230 WeakPolarHBondContact CD1-O 3.48Å; Y225-F230 HydrophobicContact CD2-CB 4.25Å; Y225-F230 AromaticContact CD2-CD1 3.96Å; Y225-F230 HydrophobicContact CD2-CD1 3.96Å; Y225-F230 HydrophobicContact CE1-CB 4.03Å; Y225-F230 HydrophobicContact CE2-CB 4.16Å; Y225-F230 AromaticContact CE2-CD1 3.96Å; Y225-F230 HydrophobicContact CE2-CD1 3.96Å; Y225-F230 HydrophobicContact CE2-CG 4.49Å; Y225-F230 HydrophobicContact CG-CB 4.28Å; P228-F230 VanDerWaalsContact C-N 3.3Å; P228-F230 PolarHBondContact O-N 2.96Å; F230-S261 VanDerWaalsContact CA-OG 3.28Å; F230-S261 WeakPolarHBondContact CA-OG 3.45Å; F230-S261 PolarHBondContact N-OG 2.63Å; F230-L262 WeakPolarHBondContact CE1-O 3.25Å; F230-K263 HydrophobicContact CD1-CD 4.17Å; F230-K263 VanDerWaalsContact CD1-CE 3.41Å; F230-K263 HydrophobicContact CD1-CG 3.65Å; F230-K263 HydrophobicContact CE1-CD 4.39Å; F230-K263 HydrophobicContact CE1-CG 3.63Å; F230-K263 HydrophobicContact CG-CD 4.42Å; F230-K263 HydrophobicContact CG-CG 4.38Å; F230-K263 HydrophobicContact CZ-CG 4.34Å; F230-E288 HydrophobicContact CE1-CB 4.43Å; F230-E288 HydrophobicContact CE2-CB 4.27Å; F230-E288 HydrophobicContact CZ-CB 3.67Å; F230-E288 HydrophobicContact CZ-CG 4.23Å; F230-Y289 WeakPolarHBondContact CE1-O 3.39Å; F230-H290 HydrophobicContact CE2-CB 4.15Å; F230-H290 HydrophobicContact CZ-CB 3.9Å
231	S	94.9	Very high	91.7	Very high	52 Å²	52	50.9 Å²	50.9	36%	0.364	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	166.4	-175.8	69.3	0	0	0	0	112.6	K227 P228 Y229	K227-S231 WeakPolarHBondContact CB-O 3.41Å; K227-S231 VanDerWaalsContact CB-OG 3.28Å; K227-S231 WeakPolarHBondContact CB-OG 3.34Å; K227-S231 PolarHBondContact N-O 2.65Å; K227-S231 VanDerWaalsContact N-O 3.09Å; P228-S231 PolarHBondContact O-OG 3.13Å; Y229-S231 VanDerWaalsContact C-N 3.33Å; Y229-S231 PolarHBondContact O-N 2.79Å
232	G	92.6	Very high	91.6	Very high	49 Å²	49	55 Å²	55	51%	0.505	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81	-159	-175.8	0	0	0	0	0	113
233	K	90.6	Very high	91.3	Very high	103 Å²	103	55.9 Å²	55.9	45%	0.448	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	145.8	176.9	-64.4	175.8	-172.1	168.5	0	110.5	Y225 E226 F255 M256	Y225-K233 CarbonylContact C-O 3.59Å; Y225-K233 WeakPolarHBondContact CA-O 3.43Å; E226-K233 HydrophobicContact CB-CB 4.3Å; E226-K233 PolarHBondContact N-O 2.84Å; E226-K233 WeakPolarHBondContact OE2-CG 3.33Å; E226-K233 PolarHBondContact OE2-N 3.45Å; K233-F255 PolarHBondContact NZ-O 2.88Å; K233-M256 HydrophobicContact CB-CG 4.45Å
234	S	91.4	Very high	90.5	Very high	59 Å²	59	55.1 Å²	55.1	41%	0.413	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.4	177.6	62.7	0	0	0	0	112.5	I224	I224-S234 CarbonylContact O-C 3.55Å; I224-S234 WeakPolarHBondContact O-CA 3.24Å; I224-S234 WeakPolarHBondContact O-CB 3.47Å
235	R	87.6	Confident	89.6	Confident	25 Å²	25	56 Å²	56	9%	0.094	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.1	173.5	-169	-168.2	-65.5	171.4	-2.6	110.3	V223 I224 F244 Q252 L254 M256	V223-R235 WeakPolarHBondContact CA-O 3.46Å; I224-R235 HydrophobicContact CD1-CB 4.32Å; I224-R235 HydrophobicContact CG1-CB 3.93Å; I224-R235 PolarHBondContact N-O 2.82Å; I224-R235 PolarHBondContact O-N 2.82Å; R235-F244 PolarHBondContact NH1-O 2.98Å; R235-F244 PolarHBondContact NH2-O 3.15Å; R235-Q252 VanDerWaalsContact NH1-CG 3.29Å; R235-Q252 VanDerWaalsContact NH2-OE1 3.1Å; R235-L254 PolarHBondContact NH2-O 3.08Å; R235-M256 HydrophobicContact CB-SD 4.07Å
236	T	90.3	Very high	88.4	Confident	79 Å²	79	55.7 Å²	55.7	49%	0.485	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.4	171	-60.5	0	0	0	0	109.9	K221 M222	K221-T236 HydrophobicContact CD-CG2 4.41Å; K221-T236 HydrophobicContact CG-CG2 3.98Å; M222-T236 CarbonylContact O-C 3.58Å; M222-T236 WeakPolarHBondContact O-CA 3.37Å
237	I	87.8	Confident	87	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.9	-179.5	-56.5	-179.1	0	0	0	107.5	K221 M222 I224 S239 M241 F244 W269 V305	K221-I237 CarbonylContact C-O 3.56Å; K221-I237 WeakPolarHBondContact CA-O 3.34Å; M222-I237 HydrophobicContact CE-CD1 4.48Å; M222-I237 PolarHBondContact N-O 2.85Å; M222-I237 PolarHBondContact O-N 3.34Å; I224-I237 HydrophobicContact CD1-CD1 3.81Å; I224-I237 HydrophobicContact CG1-CD1 3.91Å; I224-I237 HydrophobicContact CG1-CG1 4.45Å; I224-I237 HydrophobicContact CG2-CD1 3.79Å; I237-S239 WeakPolarHBondContact CG2-O 3.18Å; I237-M241 HydrophobicContact CB-CE 4.34Å; I237-M241 HydrophobicContact CB-SD 4.34Å; I237-M241 HydrophobicContact CD1-CE 4.42Å; I237-M241 HydrophobicContact CD1-SD 3.51Å; I237-M241 VanDerWaalsContact CD1-SD 3.51Å; I237-M241 HydrophobicContact CG1-CE 3.89Å; I237-M241 HydrophobicContact CG1-SD 3.64Å; I237-M241 HydrophobicContact CG2-CE 4.03Å; I237-M241 HydrophobicContact CG2-CG 3.88Å; I237-M241 HydrophobicContact CG2-SD 3.88Å; I237-F244 HydrophobicContact CD1-CD1 3.81Å; I237-F244 HydrophobicContact CD1-CE1 3.52Å; I237-W269 HydrophobicContact CG2-CH2 4Å; I237-W269 HydrophobicContact CG2-CZ3 4Å; I237-V305 HydrophobicContact CG2-CG2 4.43Å
238	S	87	Confident	85.3	Confident	16 Å²	16	63.7 Å²	63.7	11%	0.112	33%	0.327	C	S	.	.			trans	-125.3	-0.3	177.6	54.7	0	0	0	0	113.1	P220 Q425 R448	P220-S238 WeakPolarHBondContact O-CA 3.3Å; S238-Q425 PolarHBondContact OG-NE2 2.88Å; S238-Q425 VanDerWaalsContact OG-NE2 3.08Å; S238-R448 PolarHBondContact O-NH2 3.48Å
239	S	85.5	Confident	83.7	Confident	18 Å²	18	63.3 Å²	63.3	13%	0.126	32%	0.322	C	S	.	.	S	Bend	trans	-140.1	171	-177.2	60.5	0	0	0	0	110.9	I237 M241 W269	I237-S239 WeakPolarHBondContact CG2-O 3.18Å; S239-M241 PolarHBondContact O-N 3.25Å; S239-W269 WeakPolarHBondContact O-CZ3 3.34Å
240	N	89.4	Confident	81.9	Confident	77 Å²	77	67.3 Å²	67.3	41%	0.412	34%	0.336	S	S	.	.			trans	-59.4	133.4	175	-62.5	-16	0	0	0	110.5	F277 R306 I307	N240-F277 HydrophobicContact CB-CZ 4.18Å; N240-R306 HydrophobicContact CB-CB 4.5Å; N240-R306 VanDerWaalsContact OD1-CA 3.32Å; N240-R306 WeakPolarHBondContact OD1-CA 3.45Å; N240-I307 PolarHBondContact OD1-N 2.98Å
241	M	87.8	Confident	80	Confident	10 Å²	10	68.8 Å²	68.8	5%	0.049	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-123.7	116.6	175.9	-73.6	-162.3	170.1	0	0	110.2	I237 S239 D243 F244 F277 S304 V305	I237-M241 HydrophobicContact CB-CE 4.34Å; I237-M241 HydrophobicContact CB-SD 4.34Å; I237-M241 HydrophobicContact CD1-CE 4.42Å; I237-M241 HydrophobicContact CD1-SD 3.51Å; I237-M241 VanDerWaalsContact CD1-SD 3.51Å; I237-M241 HydrophobicContact CG1-CE 3.89Å; I237-M241 HydrophobicContact CG1-SD 3.64Å; I237-M241 HydrophobicContact CG2-CE 4.03Å; I237-M241 HydrophobicContact CG2-CG 3.88Å; I237-M241 HydrophobicContact CG2-SD 3.88Å; S239-M241 PolarHBondContact O-N 3.25Å; M241-D243 VanDerWaalsContact C-N 3.33Å; M241-F244 HydrophobicContact CB-CD1 4.16Å; M241-F244 HydrophobicContact CB-CE1 3.88Å; M241-F244 HydrophobicContact SD-CD1 4.08Å; M241-F244 HydrophobicContact SD-CE1 4.31Å; M241-F277 WeakPolarHBondContact O-CE1 3.15Å; M241-S304 VanDerWaalsContact O-CA 3.32Å; M241-S304 WeakPolarHBondContact O-CA 3.24Å; M241-S304 WeakPolarHBondContact O-CB 3.43Å; M241-V305 HydrophobicContact CB-CG2 4.21Å; M241-V305 PolarHBondContact N-O 3.14Å; M241-V305 PolarHBondContact O-N 2.63Å
242	R	88.7	Confident	78.6	Confident	184 Å²	184	67.4 Å²	67.4	69%	0.694	33%	0.332	S	S	*	.	S	Bend	trans	-75.3	-19.9	-178.8	-70.6	-178.2	179.7	-168.6	-0.2	113.6	E275 G276 F277 S304	R242-E275 CarbonylContact O-C 3.59Å; R242-E275 WeakPolarHBondContact O-CA 3.49Å; R242-E275 WeakPolarHBondContact O-CB 2.95Å; R242-G276 PolarHBondContact O-N 3.08Å; R242-F277 HydrophobicContact CB-CZ 4.36Å; R242-F277 HydrophobicContact CG-CE1 4.17Å; R242-F277 HydrophobicContact CG-CE2 3.71Å; R242-F277 HydrophobicContact CG-CZ 3.43Å; R242-F277 VanDerWaalsContact CG-CZ 3.43Å; R242-S304 WeakPolarHBondContact O-CB 3.48Å
243	D	87.8	Confident	77.2	Confident	19 Å²	19	72.3 Å²	72.3	10%	0.102	35%	0.346	C	S	.	.			trans	-161.9	129.4	173.5	-174.2	12.2	0	0	0	109.7	M241 M245 S246 Q252 E275 R303	M241-D243 VanDerWaalsContact C-N 3.33Å; D243-M245 VanDerWaalsContact C-N 3.32Å; D243-M245 PolarHBondContact OD1-N 2.85Å; D243-S246 WeakPolarHBondContact OD2-CB 3.29Å; D243-S246 PolarHBondContact OD2-N 2.97Å; D243-S246 VanDerWaalsContact OD2-N 3.13Å; D243-S246 PolarHBondContact OD2-OG 3.35Å; D243-Q252 PolarHBondContact O-NE2 3.42Å; D243-E275 HydrophobicContact CB-CB 4.02Å; D243-R303 CarbonylContact C-O 3.42Å; D243-R303 WeakPolarHBondContact CA-O 3.43Å; D243-R303 IonicContact OD1-CZ 2.71Å; D243-R303 IonicContact OD1-NE 2.6Å; D243-R303 PolarHBondContact OD1-NE 3.17Å; D243-R303 VanDerWaalsContact OD1-NE 3.11Å; D243-R303 IonicContact OD1-NH2 3.88Å; D243-R303 PolarHBondContact OD1-NH2 2.59Å; D243-R303 IonicContact OD2-NH2 3.88Å; D243-R303 PolarHBondContact OD2-NH2 3Å
244	F	78.1	Confident	76.1	Confident	1 Å²	1	72 Å²	72	0%	0.004	35%	0.349	C	S	.	.	S	Bend	trans	-78.7	-18	177.5	-54	-58.9	0	0	0	114.3	I224 R235 I237 M241 Q252 L259 L302 R303 V305	I224-F244 HydrophobicContact CD1-CB 4.35Å; I224-F244 HydrophobicContact CD1-CD1 4.02Å; I224-F244 HydrophobicContact CD1-CG 4.24Å; R235-F244 PolarHBondContact NH1-O 2.98Å; R235-F244 PolarHBondContact NH2-O 3.15Å; I237-F244 HydrophobicContact CD1-CD1 3.81Å; I237-F244 HydrophobicContact CD1-CE1 3.52Å; M241-F244 HydrophobicContact CB-CD1 4.16Å; M241-F244 HydrophobicContact CB-CE1 3.88Å; M241-F244 HydrophobicContact SD-CD1 4.08Å; M241-F244 HydrophobicContact SD-CE1 4.31Å; F244-Q252 PolarHBondContact O-OE1 2.88Å; F244-L259 HydrophobicContact CD2-CD1 3.87Å; F244-L259 HydrophobicContact CE2-CD1 3.86Å; F244-L259 HydrophobicContact CG-CD1 4.46Å; F244-L259 HydrophobicContact CZ-CD1 4.43Å; F244-L302 VanDerWaalsContact CD2-O 3.27Å; F244-L302 WeakPolarHBondContact CD2-O 3.36Å; F244-L302 HydrophobicContact CE2-CG 4.19Å; F244-R303 WeakPolarHBondContact CD2-O 3.48Å; F244-R303 WeakPolarHBondContact CE2-O 3.29Å; F244-R303 PolarHBondContact N-O 3.29Å; F244-V305 HydrophobicContact CE1-CB 4.39Å; F244-V305 HydrophobicContact CE1-CG1 4.43Å; F244-V305 HydrophobicContact CE1-CG2 3.49Å; F244-V305 VanDerWaalsContact CE1-CG2 3.49Å; F244-V305 HydrophobicContact CE2-CG1 4.35Å; F244-V305 HydrophobicContact CZ-CB 3.85Å; F244-V305 HydrophobicContact CZ-CG1 3.53Å; F244-V305 HydrophobicContact CZ-CG2 3.44Å; F244-V305 VanDerWaalsContact CZ-CG2 3.44Å
245	M	74.7	Confident	75.2	Confident	21 Å²	21	73.5 Å²	73.5	10%	0.103	35%	0.348	C	S	.	.	S	Bend	trans	-115.1	-26.6	-153.8	-55.1	-72.2	-70.9	0	0	112.5	D243 F255 M256 A257 S258 R303	D243-M245 VanDerWaalsContact C-N 3.32Å; D243-M245 PolarHBondContact OD1-N 2.85Å; M245-F255 WeakPolarHBondContact O-CD2 3.41Å; M245-F255 WeakPolarHBondContact O-CE2 3.42Å; M245-M256 VanDerWaalsContact CE-O 3.27Å; M245-M256 WeakPolarHBondContact CE-O 3.32Å; M245-A257 WeakPolarHBondContact CE-O 3.47Å; M245-S258 VanDerWaalsContact CE-N 3.32Å; M245-R303 VanDerWaalsContact CG-CZ 3.43Å
246	S	69.8	Low	74.7	Confident	32 Å²	32	72.4 Å²	72.4	22%	0.224	34%	0.344	C	S	.	.			trans	-75.8	144.3	175.2	53.8	0	0	0	0	112	D243 T248 Q252	D243-S246 WeakPolarHBondContact OD2-CB 3.29Å; D243-S246 PolarHBondContact OD2-N 2.97Å; D243-S246 VanDerWaalsContact OD2-N 3.13Å; D243-S246 PolarHBondContact OD2-OG 3.35Å; S246-T248 VanDerWaalsContact CB-OG1 3.24Å; S246-T248 WeakPolarHBondContact CB-OG1 3.15Å; S246-T248 PolarHBondContact O-N 2.83Å; S246-T248 PolarHBondContact OG-OG1 2.91Å; S246-Q252 PolarHBondContact O-OE1 3.44Å; S246-Q252 VanDerWaalsContact O-OE1 3.12Å
247	R	63.7	Low	74	Confident	201 Å²	201	71.7 Å²	71.7	76%	0.758	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	7.3	173.1	-65.5	-173.8	174.4	-172.5	-2.4	113.4	D249 F255	R247-D249 VanDerWaalsContact C-N 3.32Å; R247-F255 HydrophobicContact CG-CD2 4.02Å
248	T	57.7	Low	73.8	Confident	121 Å²	121	74.2 Å²	74.2	74%	0.742	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-24.3	-174	37.2	0	0	0	0	112.3	S246	S246-T248 VanDerWaalsContact CB-OG1 3.24Å; S246-T248 WeakPolarHBondContact CB-OG1 3.15Å; S246-T248 PolarHBondContact O-N 2.83Å; S246-T248 PolarHBondContact OG-OG1 2.91Å
249	D	61.2	Low	74	Confident	53 Å²	53	74 Å²	74	28%	0.283	36%	0.361	S	S	.	.			trans	-85.8	119.4	177.2	-176	-6.6	0	0	0	110.8	R247 Q251 Q252	R247-D249 VanDerWaalsContact C-N 3.32Å; D249-Q251 PolarHBondContact O-N 2.85Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.28Å; D249-Q251 PolarHBondContact OD1-N 3.19Å; D249-Q252 HydrophobicContact CB-CG 3.8Å; D249-Q252 WeakPolarHBondContact O-CB 3.5Å; D249-Q252 PolarHBondContact O-N 2.88Å
250	R	57.2	Low	74.4	Confident	244 Å²	244	73.7 Å²	73.7	92%	0.921	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.3	-179.6	-69.8	-177.5	176.2	-179.8	-1	113	Q252	R250-Q252 PolarHBondContact O-N 3.02Å
251	Q	56.8	Low	74.7	Confident	80 Å²	80	70 Å²	70	37%	0.374	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9.3	173.8	-62.2	-173.2	-4.7	0	0	112.4	D249 N253 D423	D249-Q251 PolarHBondContact O-N 2.85Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.28Å; D249-Q251 PolarHBondContact OD1-N 3.19Å; Q251-N253 PolarHBondContact O-N 2.89Å; Q251-D423 PolarHBondContact NE2-OD2 3.43Å
252	Q	64.3	Low	75.1	Confident	23 Å²	23	69.6 Å²	69.6	11%	0.107	34%	0.339	C	S	.	.			trans	-97.6	81.9	-175.2	-58.2	-166.4	31	0	0	112.9	R235 D243 F244 S246 D249 R250 L254	R235-Q252 VanDerWaalsContact NH1-CG 3.29Å; R235-Q252 VanDerWaalsContact NH2-OE1 3.1Å; D243-Q252 PolarHBondContact O-NE2 3.42Å; F244-Q252 PolarHBondContact O-OE1 2.88Å; S246-Q252 PolarHBondContact O-OE1 3.44Å; S246-Q252 VanDerWaalsContact O-OE1 3.12Å; D249-Q252 HydrophobicContact CB-CG 3.8Å; D249-Q252 WeakPolarHBondContact O-CB 3.5Å; D249-Q252 PolarHBondContact O-N 2.88Å; R250-Q252 PolarHBondContact O-N 3.02Å; Q252-L254 PolarHBondContact O-N 3.45Å
253	N	63.2	Low	75.5	Confident	152 Å²	152	62.9 Å²	62.9	81%	0.813	32%	0.315	S	S	*	.			trans	-71.9	-13.5	177.6	-67.5	-29.3	0	0	0	114.1	Q251	Q251-N253 PolarHBondContact O-N 2.89Å
254	L	67.6	Low	75.9	Confident	96 Å²	96	62 Å²	62	50%	0.503	31%	0.31	S	S	.	.	S	Bend	trans	-131.1	107	-172.1	-78.4	159.8	0	0	0	111.7	R235 Q252 M256	R235-L254 PolarHBondContact NH2-O 3.08Å; Q252-L254 PolarHBondContact O-N 3.45Å; L254-M256 PolarHBondContact O-N 2.88Å
255	F	72.8	Confident	76.5	Confident	91 Å²	91	65.9 Å²	65.9	40%	0.399	33%	0.331	S	S	.	.			trans	-67.1	131.6	174.3	177.8	-98.1	0	0	0	112	K233 M245 R247 A257	K233-F255 PolarHBondContact NZ-O 2.88Å; M245-F255 WeakPolarHBondContact O-CD2 3.41Å; M245-F255 WeakPolarHBondContact O-CE2 3.42Å; R247-F255 HydrophobicContact CG-CD2 4.02Å; F255-A257 HydrophobicContact CE1-CB 4.05Å
256	M	77.3	Confident	77.3	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	33%	0.326	C	S	.	.			trans	-119.4	134.1	173.1	-66.8	174.8	64.9	0	0	108.4	I224 Y225 E226 K233 R235 M245 L254	I224-M256 HydrophobicContact CD1-CE 4.09Å; I224-M256 HydrophobicContact CD1-SD 3.89Å; I224-M256 HydrophobicContact CG1-CE 4.2Å; I224-M256 HydrophobicContact CG1-SD 4.22Å; Y225-M256 VanDerWaalsContact C-CE 3.47Å; E226-M256 HydrophobicContact CB-CE 3.98Å; E226-M256 VanDerWaalsContact N-CE 3.26Å; K233-M256 HydrophobicContact CB-CG 4.45Å; R235-M256 HydrophobicContact CB-SD 4.07Å; M245-M256 VanDerWaalsContact CE-O 3.27Å; M245-M256 WeakPolarHBondContact CE-O 3.32Å; L254-M256 PolarHBondContact O-N 2.88Å
257	A	76	Confident	78.2	Confident	63 Å²	63	63.4 Å²	63.4	52%	0.521	32%	0.316	S	S	.	.	S	Bend	trans	-91.5	-9.9	-176.1	0	0	0	0	0	113.5	M245 F255	M245-A257 WeakPolarHBondContact CE-O 3.47Å; F255-A257 HydrophobicContact CE1-CB 4.05Å
258	S	84.1	Confident	79.6	Confident	55 Å²	55	53.9 Å²	53.9	39%	0.385	28%	0.28	S	S	.	.			trans	-160.8	163.4	177.1	53.7	0	0	0	0	110.3	E226 M245	E226-S258 WeakPolarHBondContact CA-O 3.35Å; E226-S258 PolarHBondContact O-OG 2.85Å; M245-S258 VanDerWaalsContact CE-N 3.32Å
259	L	90.8	Very high	81.4	Confident	11 Å²	11	48.1 Å²	48.1	6%	0.058	25%	0.245	C	C	.	.			trans	-113.4	107.1	165.2	-170.6	158.2	0	0	0	108.4	I224 F244 L262 W295 L302	I224-L259 HydrophobicContact CB-CD1 4Å; I224-L259 HydrophobicContact CB-CG 4.34Å; I224-L259 HydrophobicContact CD1-CD1 4.32Å; I224-L259 HydrophobicContact CG2-CD1 3.75Å; I224-L259 HydrophobicContact CG2-CG 4.5Å; F244-L259 HydrophobicContact CD2-CD1 3.87Å; F244-L259 HydrophobicContact CE2-CD1 3.86Å; F244-L259 HydrophobicContact CG-CD1 4.46Å; F244-L259 HydrophobicContact CZ-CD1 4.43Å; L259-L262 HydrophobicContact CD2-CD2 4.18Å; L259-W295 HydrophobicContact CD2-CH2 3.72Å; L259-W295 HydrophobicContact CD2-CZ2 4.14Å; L259-W295 HydrophobicContact CD2-CZ3 4.35Å; L259-L302 HydrophobicContact CD1-CB 4.46Å; L259-L302 HydrophobicContact CD1-CD2 3.85Å; L259-L302 HydrophobicContact CD1-CG 4.33Å; L259-L302 HydrophobicContact CD2-CB 4.44Å; L259-L302 HydrophobicContact CD2-CD2 3.88Å; L259-L302 HydrophobicContact CG-CD2 4.49Å
260	G	93	Very high	83.1	Confident	12 Å²	12	45.6 Å²	45.6	12%	0.124	23%	0.231	C	C	.	.			trans	-99	-27.4	-176	0	0	0	0	0	114.2	Y225 E226 K227 P228	Y225-G260 PolarHBondContact O-N 2.84Å; E226-G260 PolarHBondContact O-N 2.87Å; K227-G260 CarbonylContact O-C 3.58Å; P228-G260 WeakPolarHBondContact CA-O 3.34Å
261	S	96.4	Very high	85	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	161.9	175.6	56.8	0	0	0	0	111.8	Y225 K227 F230 Y289 H290	Y225-S261 WeakPolarHBondContact CB-OG 3.27Å; Y225-S261 PolarHBondContact N-O 3.24Å; Y225-S261 PolarHBondContact O-N 3.12Å; K227-S261 PolarHBondContact O-N 3.25Å; K227-S261 PolarHBondContact O-OG 2.98Å; F230-S261 VanDerWaalsContact CA-OG 3.28Å; F230-S261 WeakPolarHBondContact CA-OG 3.45Å; F230-S261 PolarHBondContact N-OG 2.63Å; S261-Y289 WeakPolarHBondContact CA-O 3.5Å; S261-Y289 WeakPolarHBondContact CB-O 3.41Å; S261-H290 WeakPolarHBondContact CB-O 3.05Å
262	L	96.6	Very high	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	153.7	178.4	66	86.9	0	0	0	112.6	M222 V223 I224 F230 L259 V264 L284 Y289 W295 L302	M222-L262 HydrophobicContact SD-CB 4.25Å; M222-L262 HydrophobicContact SD-CD1 3.94Å; M222-L262 HydrophobicContact SD-CD2 4.17Å; M222-L262 HydrophobicContact SD-CG 4.37Å; V223-L262 CarbonylContact O-C 3.52Å; V223-L262 VanDerWaalsContact O-CA 3.3Å; V223-L262 WeakPolarHBondContact O-CA 3.29Å; I224-L262 HydrophobicContact CG2-CB 4.13Å; F230-L262 WeakPolarHBondContact CE1-O 3.25Å; L259-L262 HydrophobicContact CD2-CD2 4.18Å; L262-V264 HydrophobicContact CD1-CG2 3.62Å; L262-L284 HydrophobicContact CD1-CD2 4.4Å; L262-L284 HydrophobicContact CD2-CD1 3.92Å; L262-L284 HydrophobicContact CD2-CD2 4.21Å; L262-Y289 HydrophobicContact CD1-CD2 3.3Å; L262-Y289 HydrophobicContact CD1-CE2 3.89Å; L262-Y289 HydrophobicContact CD1-CG 3.85Å; L262-Y289 HydrophobicContact CG-CD2 4.25Å; L262-Y289 HydrophobicContact CG-CG 4.36Å; L262-Y289 PolarHBondContact N-O 2.89Å; L262-Y289 WeakPolarHBondContact O-CB 3.4Å; L262-Y289 PolarHBondContact O-N 3.16Å; L262-W295 HydrophobicContact CD2-CE3 4.29Å; L262-W295 HydrophobicContact CG-CE3 4.44Å; L262-L302 HydrophobicContact CD2-CD2 3.59Å
263	K	96.4	Very high	88.3	Confident	44 Å²	44	31.2 Å²	31.2	19%	0.191	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.4	171.1	-60.1	-169	-176.9	-157.3	0	109.2	M222 V223 Y225 F230 L265 G287 E288	M222-K263 CarbonylContact C-O 3.59Å; M222-K263 VanDerWaalsContact CA-O 3.26Å; M222-K263 WeakPolarHBondContact CA-O 3.46Å; M222-K263 WeakPolarHBondContact CG-O 3.39Å; V223-K263 PolarHBondContact N-O 3.33Å; V223-K263 PolarHBondContact O-N 3.49Å; Y225-K263 HydrophobicContact CE2-CD 4.33Å; Y225-K263 HydrophobicContact CE2-CG 3.97Å; F230-K263 HydrophobicContact CD1-CD 4.17Å; F230-K263 VanDerWaalsContact CD1-CE 3.41Å; F230-K263 HydrophobicContact CD1-CG 3.65Å; F230-K263 HydrophobicContact CE1-CD 4.39Å; F230-K263 HydrophobicContact CE1-CG 3.63Å; F230-K263 HydrophobicContact CG-CD 4.42Å; F230-K263 HydrophobicContact CG-CG 4.38Å; F230-K263 HydrophobicContact CZ-CG 4.34Å; K263-L265 HydrophobicContact CB-CD2 4.23Å; K263-G287 WeakPolarHBondContact CA-O 3.5Å; K263-E288 HydrophobicContact CD-CG 4.1Å; K263-E288 VanDerWaalsContact CE-OE1 3.3Å; K263-E288 WeakPolarHBondContact CE-OE1 3.21Å; K263-E288 HydrophobicContact CG-CG 4.1Å; K263-E288 IonicContact NZ-OE1 3.68Å; K263-E288 PolarHBondContact NZ-OE1 2.74Å
264	V	95.4	Very high	89.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.2	170.5	-176.4	0	0	0	0	107.4	M222 L262 L284 E285 E286 G287 Y289	M222-V264 HydrophobicContact CG-CG2 4.44Å; M222-V264 HydrophobicContact SD-CG2 4.16Å; L262-V264 HydrophobicContact CD1-CG2 3.62Å; V264-L284 HydrophobicContact CG2-CB 4.14Å; V264-E285 VanDerWaalsContact CB-O 3.24Å; V264-E285 WeakPolarHBondContact CB-O 3.4Å; V264-E285 WeakPolarHBondContact CG2-O 3.16Å; V264-E286 HydrophobicContact CG1-CG 4.19Å; V264-E286 WeakPolarHBondContact O-CA 3.44Å; V264-G287 PolarHBondContact N-O 3.03Å; V264-G287 PolarHBondContact O-N 2.9Å; V264-Y289 HydrophobicContact CB-CE2 4.49Å; V264-Y289 HydrophobicContact CG2-CD2 4.43Å; V264-Y289 HydrophobicContact CG2-CE2 3.89Å
265	L	92.5	Very high	90.9	Very high	82 Å²	82	27.8 Å²	27.8	43%	0.429	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-26.8	-176.5	-57.1	-178.6	0	0	0	112.2	K221 V223 K263	K221-L265 HydrophobicContact CB-CB 4.34Å; K221-L265 HydrophobicContact CD-CD1 4.13Å; K221-L265 HydrophobicContact CG-CB 4.5Å; K221-L265 HydrophobicContact CG-CD1 4.25Å; K221-L265 WeakPolarHBondContact O-CA 3.37Å; K221-L265 WeakPolarHBondContact O-CB 3.5Å; K221-L265 PolarHBondContact O-N 2.88Å; V223-L265 HydrophobicContact CG2-CD1 3.9Å; K263-L265 HydrophobicContact CB-CD2 4.23Å
266	G	90.3	Very high	91.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	157.3	177.7	0	0	0	0	0	111.2	E219 P220 K221 W269	E219-G266 CarbonylContact O-C 3.55Å; E219-G266 WeakPolarHBondContact O-CA 3.16Å; P220-G266 WeakPolarHBondContact CA-O 3.18Å; K221-G266 PolarHBondContact N-O 3.41Å; K221-G266 PolarHBondContact O-N 2.9Å; G266-W269 PolarHBondContact O-NE1 3.34Å
267	G	89.1	Confident	92.6	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.021	16%	0.159	C	C	.	.	S	Bend	trans	74	178.2	-176.2	0	0	0	0	0	112.5	N216 E286	N216-G267 VanDerWaalsContact O-CA 3.3Å; N216-G267 WeakPolarHBondContact O-CA 3.38Å; N216-G267 PolarHBondContact O-N 2.84Å; G267-E286 PolarHBondContact N-OE1 3.47Å
268	I	92.5	Very high	93.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.161	C	C	.	.			trans	-124.7	137.8	173.1	-174.9	145.4	0	0	0	109.4	V214 M217 L283 E285 I308 I402	V214-I268 HydrophobicContact CG1-CB 4.12Å; V214-I268 HydrophobicContact CG1-CG2 4.28Å; V214-I268 HydrophobicContact CG2-CB 3.64Å; V214-I268 HydrophobicContact CG2-CD1 3.41Å; V214-I268 VanDerWaalsContact CG2-CD1 3.41Å; V214-I268 HydrophobicContact CG2-CG1 4.16Å; V214-I268 HydrophobicContact CG2-CG2 3.72Å; M217-I268 HydrophobicContact CE-CG2 4.34Å; M217-I268 HydrophobicContact SD-CG2 3.85Å; I268-L283 HydrophobicContact CD1-CD1 3.93Å; I268-L283 HydrophobicContact CD1-CD2 4.21Å; I268-L283 HydrophobicContact CD1-CG 4.21Å; I268-L283 HydrophobicContact CG1-CD1 3.98Å; I268-L283 HydrophobicContact CG1-CG 4.47Å; I268-E285 HydrophobicContact CD1-CB 4.03Å; I268-I308 HydrophobicContact CG1-CD1 3.84Å; I268-I308 HydrophobicContact CG2-CB 4.02Å; I268-I308 HydrophobicContact CG2-CD1 4.28Å; I268-I308 HydrophobicContact CG2-CG2 4.5Å; I268-I308 PolarHBondContact O-N 3.48Å; I268-I402 HydrophobicContact CD1-CD1 4.25Å; I268-I402 HydrophobicContact CD1-CG2 3.54Å
269	W	95.6	Very high	93.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.9	-166.5	-54.6	74.8	0	0	0	110.2	P220 M222 I237 S239 G266 L284 V305 R306 I307	P220-W269 HydrophobicContact CB-CH2 4.13Å; P220-W269 HydrophobicContact CB-CZ2 3.53Å; M222-W269 HydrophobicContact CB-CZ2 4.28Å; M222-W269 HydrophobicContact CE-CD2 4.02Å; M222-W269 HydrophobicContact CE-CE3 3.92Å; M222-W269 HydrophobicContact CE-CG 4.44Å; M222-W269 HydrophobicContact CE-CZ3 4.25Å; I237-W269 HydrophobicContact CG2-CH2 4Å; I237-W269 HydrophobicContact CG2-CZ3 4Å; S239-W269 WeakPolarHBondContact O-CZ3 3.34Å; G266-W269 PolarHBondContact O-NE1 3.34Å; W269-L284 HydrophobicContact CB-CB 3.97Å; W269-L284 PolarHBondContact N-O 3.28Å; W269-L284 PolarHBondContact O-N 3.09Å; W269-V305 HydrophobicContact CE3-CB 4.29Å; W269-V305 HydrophobicContact CE3-CG2 4.18Å; W269-V305 HydrophobicContact CZ3-CG2 4.29Å; W269-R306 CarbonylContact C-O 3.6Å; W269-R306 VanDerWaalsContact CA-O 3.23Å; W269-R306 WeakPolarHBondContact CA-O 3.33Å; W269-I307 HydrophobicContact CD2-CG1 3.95Å; W269-I307 HydrophobicContact CE3-CB 4.43Å; W269-I307 HydrophobicContact CE3-CG1 3.49Å; W269-I307 VanDerWaalsContact CE3-CG1 3.49Å; W269-I307 HydrophobicContact CH2-CD1 3.83Å; W269-I307 HydrophobicContact CH2-CG1 3.54Å; W269-I307 HydrophobicContact CZ2-CD1 4.42Å; W269-I307 HydrophobicContact CZ2-CG1 3.99Å; W269-I307 HydrophobicContact CZ3-CD1 3.93Å; W269-I307 HydrophobicContact CZ3-CG1 3.27Å
270	V	96.9	Very high	94.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.1	163.7	-167.2	0	0	0	0	108.1	Y272 Q281 Y282 V305 R306 I308 I377	V270-Y272 HydrophobicContact CB-CD2 4.46Å; V270-Y272 HydrophobicContact CB-CE2 3.71Å; V270-Y272 HydrophobicContact CG1-CD2 4.18Å; V270-Y272 HydrophobicContact CG1-CE1 4.24Å; V270-Y272 HydrophobicContact CG1-CE2 3.54Å; V270-Q281 HydrophobicContact CG1-CB 3.89Å; V270-Y282 WeakPolarHBondContact CA-O 3.32Å; V270-V305 CarbonylContact O-C 3.57Å; V270-V305 WeakPolarHBondContact O-CA 3.28Å; V270-R306 HydrophobicContact CB-CG 4.04Å; V270-R306 HydrophobicContact CG2-CG 4.28Å; V270-R306 PolarHBondContact N-O 3.37Å; V270-R306 PolarHBondContact O-N 3.15Å; V270-I308 HydrophobicContact CG2-CD1 3.62Å; V270-I308 HydrophobicContact CG2-CG1 3.52Å; V270-I377 HydrophobicContact CG1-CB 4.38Å; V270-I377 HydrophobicContact CG1-CD1 3.82Å; V270-I377 HydrophobicContact CG1-CG1 4.09Å; V270-I377 HydrophobicContact CG2-CB 3.8Å; V270-I377 HydrophobicContact CG2-CD1 4.44Å; V270-I377 HydrophobicContact CG2-CG1 3.79Å; V270-I377 HydrophobicContact CG2-CG2 3.64Å
271	G	96.6	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	142.9	166.9	0	0	0	0	0	111.4	Q281 Y282	G271-Q281 CarbonylContact O-C 3.53Å; G271-Q281 WeakPolarHBondContact O-CA 3.08Å; G271-Y282 PolarHBondContact N-O 3.45Å; G271-Y282 PolarHBondContact O-N 3.3Å
272	Y	96.4	Very high	94.4	Very high	16 Å²	16	33.5 Å²	33.5	6%	0.063	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135	179.7	-70.4	-88.3	0	0	0	111	V270 K274 F277 H280 Q281 R303 S304 R306	V270-Y272 HydrophobicContact CB-CD2 4.46Å; V270-Y272 HydrophobicContact CB-CE2 3.71Å; V270-Y272 HydrophobicContact CG1-CD2 4.18Å; V270-Y272 HydrophobicContact CG1-CE1 4.24Å; V270-Y272 HydrophobicContact CG1-CE2 3.54Å; Y272-K274 PolarHBondContact O-N 3.43Å; Y272-F277 HydrophobicContact CD1-CB 4.34Å; Y272-F277 WeakPolarHBondContact CD1-O 3.39Å; Y272-F277 HydrophobicContact CD2-CB 3.84Å; Y272-F277 HydrophobicContact CD2-CD1 4.04Å; Y272-F277 HydrophobicContact CD2-CG 4.41Å; Y272-F277 HydrophobicContact CE1-CB 4.2Å; Y272-F277 WeakPolarHBondContact CE1-O 3.32Å; Y272-F277 HydrophobicContact CE2-CB 3.7Å; Y272-F277 HydrophobicContact CE2-CD1 4.2Å; Y272-F277 HydrophobicContact CE2-CG 4.31Å; Y272-F277 VanDerWaalsContact CG-CA 3.5Å; Y272-F277 HydrophobicContact CG-CB 4.16Å; Y272-H280 WeakPolarHBondContact CA-O 3.41Å; Y272-Q281 HydrophobicContact CD1-CG 4.09Å; Y272-Q281 HydrophobicContact CE1-CB 4.31Å; Y272-Q281 HydrophobicContact CE1-CG 3.64Å; Y272-R303 PolarHBondContact O-N 2.77Å; Y272-S304 WeakPolarHBondContact CB-OG 3.04Å; Y272-S304 PolarHBondContact N-O 3.45Å; Y272-S304 PolarHBondContact O-N 3.25Å; Y272-R306 HydrophobicContact CE2-CG 3.95Å; Y272-R306 PolarHBondContact OH-NE 3.11Å
273	E	94.5	Very high	94.3	Very high	29 Å²	29	34.2 Å²	34.2	14%	0.136	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	-38.5	174.9	-175.8	-157.1	148.5	0	0	112.2	H280 Y282 E301 R303	E273-H280 HydrophobicContact CB-CB 4.31Å; E273-H280 PolarHBondContact N-O 3.01Å; E273-H280 IonicContact OE2-CE1 3.88Å; E273-H280 IonicContact OE2-CG 4Å; E273-H280 PolarHBondContact OE2-N 3.45Å; E273-H280 VanDerWaalsContact OE2-N 3.08Å; E273-H280 IonicContact OE2-ND1 3.19Å; E273-H280 PolarHBondContact OE2-ND1 3.24Å; E273-Y282 HydrophobicContact CB-CE2 4.28Å; E273-E301 HydrophobicContact CG-CB 4.08Å; E273-R303 WeakPolarHBondContact O-CB 3.28Å; E273-R303 WeakPolarHBondContact O-CG 3.42Å
274	K	93.4	Very high	94.3	Very high	100 Å²	100	32.1 Å²	32.1	44%	0.435	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	164.5	-174.3	-56.6	178.9	-177.2	175.6	0	112.4	Y272 R278 R303 S304	Y272-K274 PolarHBondContact O-N 3.43Å; K274-R278 HydrophobicContact CB-CB 4.08Å; K274-R278 WeakPolarHBondContact CB-O 3.27Å; K274-R278 PolarHBondContact N-O 2.85Å; K274-R303 VanDerWaalsContact C-CB 3.44Å; K274-S304 PolarHBondContact O-OG 3.26Å
275	E	92.4	Very high	94.2	Very high	76 Å²	76	32.2 Å²	32.2	36%	0.355	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	155.1	173.5	71.6	-67.7	153	0	0	112.5	R242 D243 F277 R278	R242-E275 CarbonylContact O-C 3.59Å; R242-E275 WeakPolarHBondContact O-CA 3.49Å; R242-E275 WeakPolarHBondContact O-CB 2.95Å; D243-E275 HydrophobicContact CB-CB 4.02Å; E275-F277 VanDerWaalsContact C-N 3.32Å; E275-F277 PolarHBondContact O-N 2.87Å; E275-R278 PolarHBondContact O-NE 2.84Å; E275-R278 IonicContact OE1-NH2 3.55Å; E275-R278 PolarHBondContact OE1-NH2 3.14Å; E275-R278 VanDerWaalsContact OE1-NH2 3.16Å
276	G	91.9	Very high	94.2	Very high	36 Å²	36	28.5 Å²	28.5	37%	0.371	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	26.9	178.2	0	0	0	0	0	114.1	R242	R242-G276 PolarHBondContact O-N 3.08Å
277	F	94.2	Very high	94.3	Very high	58 Å²	58	28.6 Å²	28.6	25%	0.254	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	47.8	178.9	-38.3	-53.3	0	0	0	113.1	N240 M241 R242 Y272 E275 S304 V305 R306	N240-F277 HydrophobicContact CB-CZ 4.18Å; M241-F277 WeakPolarHBondContact O-CE1 3.15Å; R242-F277 HydrophobicContact CB-CZ 4.36Å; R242-F277 HydrophobicContact CG-CE1 4.17Å; R242-F277 HydrophobicContact CG-CE2 3.71Å; R242-F277 HydrophobicContact CG-CZ 3.43Å; R242-F277 VanDerWaalsContact CG-CZ 3.43Å; Y272-F277 HydrophobicContact CD1-CB 4.34Å; Y272-F277 WeakPolarHBondContact CD1-O 3.39Å; Y272-F277 HydrophobicContact CD2-CB 3.84Å; Y272-F277 HydrophobicContact CD2-CD1 4.04Å; Y272-F277 HydrophobicContact CD2-CG 4.41Å; Y272-F277 HydrophobicContact CE1-CB 4.2Å; Y272-F277 WeakPolarHBondContact CE1-O 3.32Å; Y272-F277 HydrophobicContact CE2-CB 3.7Å; Y272-F277 HydrophobicContact CE2-CD1 4.2Å; Y272-F277 HydrophobicContact CE2-CG 4.31Å; Y272-F277 VanDerWaalsContact CG-CA 3.5Å; Y272-F277 HydrophobicContact CG-CB 4.16Å; E275-F277 VanDerWaalsContact C-N 3.32Å; E275-F277 PolarHBondContact O-N 2.87Å; F277-S304 WeakPolarHBondContact CA-OG 3.38Å; F277-S304 PolarHBondContact N-OG 3.33Å; F277-V305 VanDerWaalsContact CE1-O 3.28Å; F277-V305 WeakPolarHBondContact CE1-O 3.38Å; F277-R306 HydrophobicContact CD1-CB 4.23Å; F277-R306 HydrophobicContact CE1-CB 4.08Å; F277-R306 HydrophobicContact CZ-CB 4.46Å
278	R	93.5	Very high	94.6	Very high	145 Å²	145	31.8 Å²	31.8	55%	0.547	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	165.2	-175.8	-64.2	-171.3	-68.9	-171.3	3.3	112.4	K274 E275	K274-R278 HydrophobicContact CB-CB 4.08Å; K274-R278 WeakPolarHBondContact CB-O 3.27Å; K274-R278 PolarHBondContact N-O 2.85Å; E275-R278 PolarHBondContact O-NE 2.84Å; E275-R278 IonicContact OE1-NH2 3.55Å; E275-R278 PolarHBondContact OE1-NH2 3.14Å; E275-R278 VanDerWaalsContact OE1-NH2 3.16Å
279	G	94.2	Very high	94.7	Very high	33 Å²	33	31.8 Å²	31.8	34%	0.34	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.8	-159.5	-179.6	0	0	0	0	0	112.2
280	H	95.7	Very high	94.6	Very high	68 Å²	68	34.7 Å²	34.7	32%	0.315	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	141.5	178.5	-63.8	90.7	0	0	0	111.2	Y272 E273 Y282 C298 N374	Y272-H280 WeakPolarHBondContact CA-O 3.41Å; E273-H280 HydrophobicContact CB-CB 4.31Å; E273-H280 PolarHBondContact N-O 3.01Å; E273-H280 IonicContact OE2-CE1 3.88Å; E273-H280 IonicContact OE2-CG 4Å; E273-H280 PolarHBondContact OE2-N 3.45Å; E273-H280 VanDerWaalsContact OE2-N 3.08Å; E273-H280 IonicContact OE2-ND1 3.19Å; E273-H280 PolarHBondContact OE2-ND1 3.24Å; H280-Y282 HydrophobicContact CB-CE1 4.14Å; H280-Y282 HydrophobicContact CB-CE2 4.29Å; H280-C298 VanDerWaalsContact CD2-SG 3.58Å; H280-N374 PolarHBondContact CD2-OD1 3.42Å
281	Q	96.9	Very high	94.5	Very high	14 Å²	14	35.4 Å²	35.4	7%	0.065	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.8	179.8	-40.3	-175.7	29	0	0	110	V270 G271 Y272 Q375 I377 W389	V270-Q281 HydrophobicContact CG1-CB 3.89Å; G271-Q281 CarbonylContact O-C 3.53Å; G271-Q281 WeakPolarHBondContact O-CA 3.08Å; Y272-Q281 HydrophobicContact CD1-CG 4.09Å; Y272-Q281 HydrophobicContact CE1-CB 4.31Å; Y272-Q281 HydrophobicContact CE1-CG 3.64Å; Q281-Q375 WeakPolarHBondContact CB-O 3.27Å; Q281-I377 HydrophobicContact CB-CD1 3.73Å; Q281-I377 VanDerWaalsContact OE1-N 3.12Å; Q281-W389 PolarHBondContact NE2-O 2.97Å
282	Y	96.4	Very high	94.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	123	-178.6	-50.1	-69.4	0	0	0	109.4	V270 G271 E273 H280 L284 G296 G297 C298 L302	V270-Y282 WeakPolarHBondContact CA-O 3.32Å; G271-Y282 PolarHBondContact N-O 3.45Å; G271-Y282 PolarHBondContact O-N 3.3Å; E273-Y282 HydrophobicContact CB-CE2 4.28Å; H280-Y282 HydrophobicContact CB-CE1 4.14Å; H280-Y282 HydrophobicContact CB-CE2 4.29Å; Y282-L284 PolarHBondContact O-N 3.12Å; Y282-G296 WeakPolarHBondContact CD1-O 3.5Å; Y282-G296 VanDerWaalsContact CE1-O 3.24Å; Y282-G296 WeakPolarHBondContact CE1-O 3.39Å; Y282-G297 VanDerWaalsContact CE1-CA 3.47Å; Y282-C298 PolarHBondContact OH-N 3.44Å; Y282-L302 HydrophobicContact CD2-CD1 3.82Å; Y282-L302 HydrophobicContact CE2-CD1 4.31Å
283	L	96.2	Very high	94.2	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.2	171.8	-168.5	78.6	0	0	0	110.5	P212 I268 I308 I364 I377 I402	P212-L283 HydrophobicContact CB-CD2 3.69Å; P212-L283 HydrophobicContact CG-CD2 3.74Å; I268-L283 HydrophobicContact CD1-CD1 3.93Å; I268-L283 HydrophobicContact CD1-CD2 4.21Å; I268-L283 HydrophobicContact CD1-CG 4.21Å; I268-L283 HydrophobicContact CG1-CD1 3.98Å; I268-L283 HydrophobicContact CG1-CG 4.47Å; L283-I308 HydrophobicContact CD1-CD1 3.9Å; L283-I364 HydrophobicContact CB-CD1 4.25Å; L283-I364 HydrophobicContact CD1-CD1 3.94Å; L283-I364 HydrophobicContact CD1-CG1 4.48Å; L283-I364 HydrophobicContact CD2-CD1 3.44Å; L283-I364 VanDerWaalsContact CD2-CD1 3.44Å; L283-I364 HydrophobicContact CG-CD1 4.07Å; L283-I377 HydrophobicContact CD1-CG1 4.2Å; L283-I402 HydrophobicContact CD1-CD1 3.69Å
284	L	95.8	Very high	94.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	89.8	178.5	-61.4	180	0	0	0	108.9	L262 V264 W269 Y282 Y289 W295 L302 V305	L262-L284 HydrophobicContact CD1-CD2 4.4Å; L262-L284 HydrophobicContact CD2-CD1 3.92Å; L262-L284 HydrophobicContact CD2-CD2 4.21Å; V264-L284 HydrophobicContact CG2-CB 4.14Å; W269-L284 HydrophobicContact CB-CB 3.97Å; W269-L284 PolarHBondContact N-O 3.28Å; W269-L284 PolarHBondContact O-N 3.09Å; Y282-L284 PolarHBondContact O-N 3.12Å; L284-Y289 HydrophobicContact CD2-CE1 4.22Å; L284-W295 HydrophobicContact CD2-CB 3.58Å; L284-W295 HydrophobicContact CD2-CG 4.25Å; L284-L302 HydrophobicContact CD1-CD2 4.33Å; L284-V305 HydrophobicContact CD1-CG1 3.96Å
285	E	92.6	Very high	94	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.192	C	C	.	.			trans	-88.3	168.1	174.5	50.3	176.4	-170.4	0	0	111.1	R24 P25 R65 V264 I268 G287 Y289	R24-E285 VanDerWaalsContact CB-OE1 3.26Å; R24-E285 WeakPolarHBondContact CB-OE1 3.31Å; R24-E285 WeakPolarHBondContact CG-OE1 3.4Å; R24-E285 IonicContact CZ-OE1 2.75Å; R24-E285 IonicContact CZ-OE2 3.15Å; R24-E285 VanDerWaalsContact NE-CD 3.32Å; R24-E285 IonicContact NE-OE1 2.79Å; R24-E285 PolarHBondContact NE-OE1 2.91Å; R24-E285 IonicContact NE-OE2 2.73Å; R24-E285 PolarHBondContact NE-OE2 3.21Å; R24-E285 IonicContact NH2-OE1 3.18Å; R24-E285 PolarHBondContact NH2-OE1 2.78Å; R24-E285 IonicContact NH2-OE2 3.84Å; R24-E285 PolarHBondContact NH2-OE2 2.97Å; P25-E285 WeakPolarHBondContact CD-OE1 3.49Å; P25-E285 HydrophobicContact CG-CG 4.3Å; R65-E285 WeakPolarHBondContact CD-OE1 3.45Å; R65-E285 IonicContact CZ-OE1 2.78Å; R65-E285 IonicContact CZ-OE2 3.39Å; R65-E285 IonicContact NE-OE1 3.77Å; R65-E285 PolarHBondContact NE-OE1 2.74Å; R65-E285 IonicContact NE-OE2 2.65Å; R65-E285 PolarHBondContact NE-OE2 2.79Å; R65-E285 IonicContact NH1-OE1 3.54Å; R65-E285 PolarHBondContact NH1-OE1 3.26Å; R65-E285 IonicContact NH1-OE2 2.74Å; R65-E285 PolarHBondContact NH1-OE2 2.96Å; R65-E285 IonicContact NH2-OE2 2.76Å; R65-E285 PolarHBondContact NH2-OE2 3.13Å; V264-E285 VanDerWaalsContact CB-O 3.24Å; V264-E285 WeakPolarHBondContact CB-O 3.4Å; V264-E285 WeakPolarHBondContact CG2-O 3.16Å; I268-E285 HydrophobicContact CD1-CB 4.03Å; E285-G287 PolarHBondContact O-N 3.24Å; E285-Y289 WeakPolarHBondContact CG-OH 3.26Å; E285-Y289 PolarHBondContact N-OH 2.79Å; E285-Y289 VanDerWaalsContact O-CE2 3.31Å; E285-Y289 WeakPolarHBondContact O-CE2 3.19Å; E285-Y289 PolarHBondContact O-OH 2.96Å; E285-Y289 VanDerWaalsContact O-OH 3.05Å
286	E	92.7	Very high	93.9	Very high	5 Å²	5	36.8 Å²	36.8	2%	0.023	18%	0.176	C	C	.	.	S	Bend	trans	-55.6	130	179.9	-69	143.7	156.6	0	0	111.5	R65 E215 N216 V264 G267	R65-E286 PolarHBondContact NH1-O 2.9Å; E215-E286 WeakPolarHBondContact CB-OE2 3.39Å; E215-E286 PolarHBondContact N-OE2 2.89Å; N216-E286 WeakPolarHBondContact CA-OE1 3.04Å; N216-E286 WeakPolarHBondContact CB-OE1 3.42Å; N216-E286 PolarHBondContact N-OE1 2.86Å; V264-E286 HydrophobicContact CG1-CG 4.19Å; V264-E286 WeakPolarHBondContact O-CA 3.44Å; G267-E286 PolarHBondContact N-OE1 3.47Å
287	G	92.8	Very high	93.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.9	168.7	-165.8	0	0	0	0	0	115.2	R44 K263 V264 E285	R44-G287 VanDerWaalsContact NH1-CA 3.26Å; K263-G287 WeakPolarHBondContact CA-O 3.5Å; V264-G287 PolarHBondContact N-O 3.03Å; V264-G287 PolarHBondContact O-N 2.9Å; E285-G287 PolarHBondContact O-N 3.24Å
288	E	94.6	Very high	93.7	Very high	69 Å²	69	35 Å²	35	32%	0.322	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.7	173.3	-74.4	-164.5	158.6	0	0	109.5	F230 K263	F230-E288 HydrophobicContact CE1-CB 4.43Å; F230-E288 HydrophobicContact CE2-CB 4.27Å; F230-E288 HydrophobicContact CZ-CB 3.67Å; F230-E288 HydrophobicContact CZ-CG 4.23Å; K263-E288 HydrophobicContact CD-CG 4.1Å; K263-E288 VanDerWaalsContact CE-OE1 3.3Å; K263-E288 WeakPolarHBondContact CE-OE1 3.21Å; K263-E288 HydrophobicContact CG-CG 4.1Å; K263-E288 IonicContact NZ-OE1 3.68Å; K263-E288 PolarHBondContact NZ-OE1 2.74Å
289	Y	95.4	Very high	93.6	Very high	1 Å²	1	31 Å²	31	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	94.6	-178.8	-59.3	-101.7	0	0	0	109.7	P25 F230 S261 L262 V264 L284 E285 D291 V294 W295	P25-Y289 WeakPolarHBondContact CD-OH 3.44Å; P25-Y289 HydrophobicContact CG-CE1 4.04Å; P25-Y289 HydrophobicContact CG-CE2 3.89Å; F230-Y289 WeakPolarHBondContact CE1-O 3.39Å; S261-Y289 WeakPolarHBondContact CA-O 3.5Å; S261-Y289 WeakPolarHBondContact CB-O 3.41Å; L262-Y289 HydrophobicContact CD1-CD2 3.3Å; L262-Y289 HydrophobicContact CD1-CE2 3.89Å; L262-Y289 HydrophobicContact CD1-CG 3.85Å; L262-Y289 HydrophobicContact CG-CD2 4.25Å; L262-Y289 HydrophobicContact CG-CG 4.36Å; L262-Y289 PolarHBondContact N-O 2.89Å; L262-Y289 WeakPolarHBondContact O-CB 3.4Å; L262-Y289 PolarHBondContact O-N 3.16Å; V264-Y289 HydrophobicContact CB-CE2 4.49Å; V264-Y289 HydrophobicContact CG2-CD2 4.43Å; V264-Y289 HydrophobicContact CG2-CE2 3.89Å; L284-Y289 HydrophobicContact CD2-CE1 4.22Å; E285-Y289 WeakPolarHBondContact CG-OH 3.26Å; E285-Y289 PolarHBondContact N-OH 2.79Å; E285-Y289 VanDerWaalsContact O-CE2 3.31Å; E285-Y289 WeakPolarHBondContact O-CE2 3.19Å; E285-Y289 PolarHBondContact O-OH 2.96Å; E285-Y289 VanDerWaalsContact O-OH 3.05Å; Y289-D291 PolarHBondContact O-N 2.9Å; Y289-V294 HydrophobicContact CD1-CB 4.21Å; Y289-V294 HydrophobicContact CD1-CG1 3.89Å; Y289-V294 HydrophobicContact CG-CG1 4.42Å; Y289-W295 HydrophobicContact CD1-CB 3.59Å; Y289-W295 HydrophobicContact CD1-CE3 4.5Å; Y289-W295 HydrophobicContact CE1-CB 3.85Å; Y289-W295 HydrophobicContact CG-CB 4.49Å; Y289-W295 HydrophobicContact CG-CE3 4.49Å
290	H	94.3	Very high	93.4	Very high	61 Å²	61	32.3 Å²	32.3	28%	0.282	16%	0.159	S	C	.	.			trans	-76.1	-20.1	-170.2	57.6	64.4	0	0	0	114.2	P228 Y229 F230 S261 V294	P228-H290 CarbonylContact C-O 3.6Å; P228-H290 WeakPolarHBondContact CA-O 3.32Å; P228-H290 WeakPolarHBondContact CB-O 3.5Å; Y229-H290 HydrophobicContact CD1-CB 3.72Å; Y229-H290 HydrophobicContact CE1-CB 3.96Å; Y229-H290 AromaticContact CE1-CG 3.87Å; Y229-H290 AromaticContact CE1-ND1 3.81Å; Y229-H290 HydrophobicContact CG-CB 4.38Å; Y229-H290 PolarHBondContact N-O 3.31Å; F230-H290 HydrophobicContact CE2-CB 4.15Å; F230-H290 HydrophobicContact CZ-CB 3.9Å; S261-H290 WeakPolarHBondContact CB-O 3.05Å; H290-V294 WeakPolarHBondContact CE1-CG2 3.01Å; H290-V294 WeakPolarHBondContact ND1-CG2 3.25Å; H290-V294 WeakPolarHBondContact NE2-CG2 2.78Å
291	D	94.4	Very high	93.2	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.08	16%	0.164	C	C	.	.	S	Bend	trans	-157.6	173.6	170.6	77.7	95.8	0	0	0	111.2	P228 Y289 R293 V294 W295	P228-D291 HydrophobicContact CB-CB 4.44Å; Y289-D291 PolarHBondContact O-N 2.9Å; D291-R293 PolarHBondContact O-N 3.09Å; D291-R293 VanDerWaalsContact OD1-CB 3.25Å; D291-R293 WeakPolarHBondContact OD1-CB 3.04Å; D291-R293 VanDerWaalsContact OD1-CG 3.28Å; D291-R293 WeakPolarHBondContact OD1-CG 3.31Å; D291-R293 PolarHBondContact OD1-N 3Å; D291-R293 IonicContact OD1-NH1 3.64Å; D291-R293 PolarHBondContact OD1-NH1 2.98Å; D291-V294 WeakPolarHBondContact O-CB 3.32Å; D291-V294 WeakPolarHBondContact O-CG2 3.34Å; D291-V294 PolarHBondContact O-N 2.85Å; D291-W295 VanDerWaalsContact O-CE3 3.28Å; D291-W295 WeakPolarHBondContact O-CZ3 3.5Å
292	W	93.4	Very high	93.1	Very high	74 Å²	74	32.8 Å²	32.8	28%	0.28	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.5	-172.1	66	-95.1	0	0	0	115.5	V294 W295 G296 G297 D299	W292-V294 PolarHBondContact O-N 3.29Å; W292-W295 HydrophobicContact CB-CD2 4.36Å; W292-W295 HydrophobicContact CB-CH2 3.73Å; W292-W295 HydrophobicContact CB-CZ2 3.24Å; W292-W295 HydrophobicContact CB-CZ3 4.44Å; W292-W295 PolarHBondContact O-N 3.15Å; W292-G296 PolarHBondContact O-N 3.5Å; W292-G297 WeakPolarHBondContact CZ3-O 3.5Å; W292-G297 PolarHBondContact O-N 2.67Å; W292-D299 VanDerWaalsContact CE3-O 3.31Å
293	R	92.5	Very high	92.9	Very high	153 Å²	153	35.5 Å²	35.5	58%	0.577	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-28.4	175.5	-60.2	176.3	-173.8	88.8	-3.7	111.6	P23 D291 G296	P23-R293 WeakPolarHBondContact CG-O 3.37Å; D291-R293 PolarHBondContact O-N 3.09Å; D291-R293 VanDerWaalsContact OD1-CB 3.25Å; D291-R293 WeakPolarHBondContact OD1-CB 3.04Å; D291-R293 VanDerWaalsContact OD1-CG 3.28Å; D291-R293 WeakPolarHBondContact OD1-CG 3.31Å; D291-R293 PolarHBondContact OD1-N 3Å; D291-R293 IonicContact OD1-NH1 3.64Å; D291-R293 PolarHBondContact OD1-NH1 2.98Å; R293-G296 PolarHBondContact O-N 2.78Å; R293-G296 VanDerWaalsContact O-N 3.12Å
294	V	91.9	Very high	92.8	Very high	18 Å²	18	34.8 Å²	34.8	11%	0.109	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-29.9	-177.2	-170.4	0	0	0	0	112.1	Y289 H290 D291 W292 G296	Y289-V294 HydrophobicContact CD1-CB 4.21Å; Y289-V294 HydrophobicContact CD1-CG1 3.89Å; Y289-V294 HydrophobicContact CG-CG1 4.42Å; H290-V294 WeakPolarHBondContact CE1-CG2 3.01Å; H290-V294 WeakPolarHBondContact ND1-CG2 3.25Å; H290-V294 WeakPolarHBondContact NE2-CG2 2.78Å; D291-V294 WeakPolarHBondContact O-CB 3.32Å; D291-V294 WeakPolarHBondContact O-CG2 3.34Å; D291-V294 PolarHBondContact O-N 2.85Å; W292-V294 PolarHBondContact O-N 3.29Å; V294-G296 VanDerWaalsContact C-N 3.28Å
295	W	92.1	Very high	92.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.008	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9.6	171.2	62.3	77.6	0	0	0	112.8	L259 L262 L284 Y289 D291 W292 L302	L259-W295 HydrophobicContact CD2-CH2 3.72Å; L259-W295 HydrophobicContact CD2-CZ2 4.14Å; L259-W295 HydrophobicContact CD2-CZ3 4.35Å; L262-W295 HydrophobicContact CD2-CE3 4.29Å; L262-W295 HydrophobicContact CG-CE3 4.44Å; L284-W295 HydrophobicContact CD2-CB 3.58Å; L284-W295 HydrophobicContact CD2-CG 4.25Å; Y289-W295 HydrophobicContact CD1-CB 3.59Å; Y289-W295 HydrophobicContact CD1-CE3 4.5Å; Y289-W295 HydrophobicContact CE1-CB 3.85Å; Y289-W295 HydrophobicContact CG-CB 4.49Å; Y289-W295 HydrophobicContact CG-CE3 4.49Å; D291-W295 VanDerWaalsContact O-CE3 3.28Å; D291-W295 WeakPolarHBondContact O-CZ3 3.5Å; W292-W295 HydrophobicContact CB-CD2 4.36Å; W292-W295 HydrophobicContact CB-CH2 3.73Å; W292-W295 HydrophobicContact CB-CZ2 3.24Å; W292-W295 HydrophobicContact CB-CZ3 4.44Å; W292-W295 PolarHBondContact O-N 3.15Å; W295-L302 HydrophobicContact CZ2-CB 4.44Å; W295-L302 HydrophobicContact CZ2-CD2 4.5Å
296	G	91.3	Very high	92.8	Very high	3 Å²	3	36 Å²	36	3%	0.031	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	36	-178.1	0	0	0	0	0	112.8	K20 Y282 W292 R293 V294	K20-G296 WeakPolarHBondContact CE-O 3.37Å; K20-G296 PolarHBondContact NZ-O 2.92Å; Y282-G296 WeakPolarHBondContact CD1-O 3.5Å; Y282-G296 VanDerWaalsContact CE1-O 3.24Å; Y282-G296 WeakPolarHBondContact CE1-O 3.39Å; W292-G296 PolarHBondContact O-N 3.5Å; R293-G296 PolarHBondContact O-N 2.78Å; R293-G296 VanDerWaalsContact O-N 3.12Å; V294-G296 VanDerWaalsContact C-N 3.28Å
297	G	91.4	Very high	92.8	Very high	4 Å²	4	36.5 Å²	36.5	4%	0.041	18%	0.175	C	C	.	.			trans	-55.5	142.2	173.6	0	0	0	0	0	112.1	Y282 W292	Y282-G297 VanDerWaalsContact CE1-CA 3.47Å; W292-G297 WeakPolarHBondContact CZ3-O 3.5Å; W292-G297 PolarHBondContact O-N 2.67Å
298	C	89.3	Confident	92.8	Very high	53 Å²	53	36.6 Å²	36.6	36%	0.358	18%	0.176	S	C	.	.	S	Bend	trans	-71.1	-30.5	163.8	-67.2	0	0	0	0	110.6	K20 H280 Y282	K20-C298 PolarHBondContact NZ-SG 3.21Å; H280-C298 VanDerWaalsContact CD2-SG 3.58Å; Y282-C298 PolarHBondContact OH-N 3.44Å
299	D	90.9	Very high	92.2	Very high	60 Å²	60	40.2 Å²	40.2	32%	0.321	19%	0.186	S	C	.	.	S	Bend	trans	-146.6	-166.9	172.3	56.8	24	0	0	0	109.3	W292 E301	W292-D299 VanDerWaalsContact CE3-O 3.31Å; D299-E301 VanDerWaalsContact C-N 3.28Å; D299-E301 WeakPolarHBondContact OD1-CB 3.39Å; D299-E301 PolarHBondContact OD1-N 2.77Å
300	S	90.9	Very high	91.5	Very high	62 Å²	62	41 Å²	41	43%	0.434	19%	0.194	S	C	.	.	S	Bend	trans	-81.3	-0.7	176.5	56.7	0	0	0	0	114.4	L302	S300-L302 PolarHBondContact O-N 2.92Å
301	E	92	Very high	90.8	Very high	88 Å²	88	42.5 Å²	42.5	41%	0.411	20%	0.203	S	C	.	.			trans	-79.3	123.2	-176.6	-66.6	-61.7	131.6	0	0	110.9	E273 D299	E273-E301 HydrophobicContact CG-CB 4.08Å; D299-E301 VanDerWaalsContact C-N 3.28Å; D299-E301 WeakPolarHBondContact OD1-CB 3.39Å; D299-E301 PolarHBondContact OD1-N 2.77Å
302	L	93.7	Very high	90.4	Very high	4 Å²	4	42 Å²	42	2%	0.021	20%	0.201	C	C	.	.			trans	-145	108.4	171	-173.7	71	0	0	0	107	F244 L259 L262 Y282 L284 W295 S300	F244-L302 VanDerWaalsContact CD2-O 3.27Å; F244-L302 WeakPolarHBondContact CD2-O 3.36Å; F244-L302 HydrophobicContact CE2-CG 4.19Å; L259-L302 HydrophobicContact CD1-CB 4.46Å; L259-L302 HydrophobicContact CD1-CD2 3.85Å; L259-L302 HydrophobicContact CD1-CG 4.33Å; L259-L302 HydrophobicContact CD2-CB 4.44Å; L259-L302 HydrophobicContact CD2-CD2 3.88Å; L259-L302 HydrophobicContact CG-CD2 4.49Å; L262-L302 HydrophobicContact CD2-CD2 3.59Å; Y282-L302 HydrophobicContact CD2-CD1 3.82Å; Y282-L302 HydrophobicContact CE2-CD1 4.31Å; L284-L302 HydrophobicContact CD1-CD2 4.33Å; W295-L302 HydrophobicContact CZ2-CB 4.44Å; W295-L302 HydrophobicContact CZ2-CD2 4.5Å; S300-L302 PolarHBondContact O-N 2.92Å
303	R	92.3	Very high	89.5	Confident	56 Å²	56	41.2 Å²	41.2	21%	0.211	20%	0.204	C	C	.	.			trans	-114.2	-28.8	-165.9	-69.8	-67	-57.6	-141.3	-7.5	113.6	D243 F244 M245 Y272 E273 K274	D243-R303 CarbonylContact C-O 3.42Å; D243-R303 WeakPolarHBondContact CA-O 3.43Å; D243-R303 IonicContact OD1-CZ 2.71Å; D243-R303 IonicContact OD1-NE 2.6Å; D243-R303 PolarHBondContact OD1-NE 3.17Å; D243-R303 VanDerWaalsContact OD1-NE 3.11Å; D243-R303 IonicContact OD1-NH2 3.88Å; D243-R303 PolarHBondContact OD1-NH2 2.59Å; D243-R303 IonicContact OD2-NH2 3.88Å; D243-R303 PolarHBondContact OD2-NH2 3Å; F244-R303 WeakPolarHBondContact CD2-O 3.48Å; F244-R303 WeakPolarHBondContact CE2-O 3.29Å; F244-R303 PolarHBondContact N-O 3.29Å; M245-R303 VanDerWaalsContact CG-CZ 3.43Å; Y272-R303 PolarHBondContact O-N 2.77Å; E273-R303 WeakPolarHBondContact O-CB 3.28Å; E273-R303 WeakPolarHBondContact O-CG 3.42Å; K274-R303 VanDerWaalsContact C-CB 3.44Å
304	S	93.9	Very high	88.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156	178.3	65.4	0	0	0	0	112.2	M241 R242 Y272 K274 F277	M241-S304 VanDerWaalsContact O-CA 3.32Å; M241-S304 WeakPolarHBondContact O-CA 3.24Å; M241-S304 WeakPolarHBondContact O-CB 3.43Å; R242-S304 WeakPolarHBondContact O-CB 3.48Å; Y272-S304 WeakPolarHBondContact CB-OG 3.04Å; Y272-S304 PolarHBondContact N-O 3.45Å; Y272-S304 PolarHBondContact O-N 3.25Å; K274-S304 PolarHBondContact O-OG 3.26Å; F277-S304 WeakPolarHBondContact CA-OG 3.38Å; F277-S304 PolarHBondContact N-OG 3.33Å
305	V	95.3	Very high	88.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.5	176	-76.2	0	0	0	0	111.3	M222 I237 M241 F244 W269 V270 F277 L284	M222-V305 HydrophobicContact CE-CB 4.15Å; M222-V305 HydrophobicContact CE-CG1 3.93Å; M222-V305 HydrophobicContact CE-CG2 3.77Å; I237-V305 HydrophobicContact CG2-CG2 4.43Å; M241-V305 HydrophobicContact CB-CG2 4.21Å; M241-V305 PolarHBondContact N-O 3.14Å; M241-V305 PolarHBondContact O-N 2.63Å; F244-V305 HydrophobicContact CE1-CB 4.39Å; F244-V305 HydrophobicContact CE1-CG1 4.43Å; F244-V305 HydrophobicContact CE1-CG2 3.49Å; F244-V305 VanDerWaalsContact CE1-CG2 3.49Å; F244-V305 HydrophobicContact CE2-CG1 4.35Å; F244-V305 HydrophobicContact CZ-CB 3.85Å; F244-V305 HydrophobicContact CZ-CG1 3.53Å; F244-V305 HydrophobicContact CZ-CG2 3.44Å; F244-V305 VanDerWaalsContact CZ-CG2 3.44Å; W269-V305 HydrophobicContact CE3-CB 4.29Å; W269-V305 HydrophobicContact CE3-CG2 4.18Å; W269-V305 HydrophobicContact CZ3-CG2 4.29Å; V270-V305 CarbonylContact O-C 3.57Å; V270-V305 WeakPolarHBondContact O-CA 3.28Å; F277-V305 VanDerWaalsContact CE1-O 3.28Å; F277-V305 WeakPolarHBondContact CE1-O 3.38Å; L284-V305 HydrophobicContact CD1-CG1 3.96Å
306	R	94.4	Very high	88.9	Confident	28 Å²	28	38.2 Å²	38.2	11%	0.106	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.4	167.4	73.4	-172.6	179.4	80.1	-12.9	110.5	N240 W269 V270 Y272 F277 E379	N240-R306 HydrophobicContact CB-CB 4.5Å; N240-R306 VanDerWaalsContact OD1-CA 3.32Å; N240-R306 WeakPolarHBondContact OD1-CA 3.45Å; W269-R306 CarbonylContact C-O 3.6Å; W269-R306 VanDerWaalsContact CA-O 3.23Å; W269-R306 WeakPolarHBondContact CA-O 3.33Å; V270-R306 HydrophobicContact CB-CG 4.04Å; V270-R306 HydrophobicContact CG2-CG 4.28Å; V270-R306 PolarHBondContact N-O 3.37Å; V270-R306 PolarHBondContact O-N 3.15Å; Y272-R306 HydrophobicContact CE2-CG 3.95Å; Y272-R306 PolarHBondContact OH-NE 3.11Å; F277-R306 HydrophobicContact CD1-CB 4.23Å; F277-R306 HydrophobicContact CE1-CB 4.08Å; F277-R306 HydrophobicContact CZ-CB 4.46Å; R306-E379 IonicContact CZ-OE2 3.89Å; R306-E379 VanDerWaalsContact CZ-OE2 3.3Å; R306-E379 VanDerWaalsContact NH1-CD 3.33Å; R306-E379 IonicContact NH1-OE1 3.47Å; R306-E379 IonicContact NH1-OE2 2.73Å; R306-E379 PolarHBondContact NH1-OE2 3.13Å; R306-E379 IonicContact NH2-OE2 3.26Å; R306-E379 PolarHBondContact NH2-OE2 3.13Å
307	I	92.3	Very high	89.1	Confident	15 Å²	15	38 Å²	38	8%	0.077	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.8	169.8	-57.6	160.4	0	0	0	107.5	P220 N240 W269 R309	P220-I307 HydrophobicContact CB-CD1 3.63Å; P220-I307 HydrophobicContact CB-CG1 3.86Å; P220-I307 HydrophobicContact CB-CG2 4.03Å; P220-I307 HydrophobicContact CG-CD1 3.65Å; P220-I307 HydrophobicContact CG-CG1 4.34Å; P220-I307 HydrophobicContact CG-CG2 4.25Å; N240-I307 PolarHBondContact OD1-N 2.98Å; W269-I307 HydrophobicContact CD2-CG1 3.95Å; W269-I307 HydrophobicContact CE3-CB 4.43Å; W269-I307 HydrophobicContact CE3-CG1 3.49Å; W269-I307 VanDerWaalsContact CE3-CG1 3.49Å; W269-I307 HydrophobicContact CH2-CD1 3.83Å; W269-I307 HydrophobicContact CH2-CG1 3.54Å; W269-I307 HydrophobicContact CZ2-CD1 4.42Å; W269-I307 HydrophobicContact CZ2-CG1 3.99Å; W269-I307 HydrophobicContact CZ3-CD1 3.93Å; W269-I307 HydrophobicContact CZ3-CG1 3.27Å; I307-R309 HydrophobicContact CG2-CG 4.28Å
308	I	91.8	Very high	89.4	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.015	20%	0.203	C	C	.	.			trans	-82.8	121.8	167.7	-65.8	154.1	0	0	0	107.4	I268 V270 L283 A310 A362 I377 E379 I402	I268-I308 HydrophobicContact CG1-CD1 3.84Å; I268-I308 HydrophobicContact CG2-CB 4.02Å; I268-I308 HydrophobicContact CG2-CD1 4.28Å; I268-I308 HydrophobicContact CG2-CG2 4.5Å; I268-I308 PolarHBondContact O-N 3.48Å; V270-I308 HydrophobicContact CG2-CD1 3.62Å; V270-I308 HydrophobicContact CG2-CG1 3.52Å; L283-I308 HydrophobicContact CD1-CD1 3.9Å; I308-A310 HydrophobicContact CG2-CB 4.14Å; I308-A362 HydrophobicContact CG2-CB 3.75Å; I308-I377 HydrophobicContact CD1-CG2 3.89Å; I308-I377 HydrophobicContact CG1-CG2 4.07Å; I308-E379 WeakPolarHBondContact CA-OE1 3.27Å; I308-E379 HydrophobicContact CG2-CG 4.03Å; I308-I402 HydrophobicContact CD1-CD1 3.89Å
309	R	82.5	Confident	89.8	Confident	144 Å²	144	36.3 Å²	36.3	54%	0.543	19%	0.186	S	C	.	.			trans	-112.9	79.9	179.3	-70.2	-168.2	178.1	176.1	3.1	108.9	I307 E379 D473	I307-R309 HydrophobicContact CG2-CG 4.28Å; R309-E379 PolarHBondContact N-OE1 2.92Å; R309-D473 IonicContact CZ-OD2 2.72Å; R309-D473 IonicContact NE-OD2 2.63Å; R309-D473 VanDerWaalsContact NH2-CG 3.33Å; R309-D473 IonicContact NH2-OD2 3.3Å; R309-D473 PolarHBondContact NH2-OD2 3.26Å
310	A	82	Confident	90	Very high	19 Å²	19	35.3 Å²	35.3	16%	0.157	18%	0.179	C	C	.	.			trans	-127.4	147.3	177.2	0	0	0	0	0	110.9	I308 L312 A362	I308-A310 HydrophobicContact CG2-CB 4.14Å; A310-L312 HydrophobicContact CB-CD2 3.9Å; A310-L312 PolarHBondContact O-N 3.16Å; A310-A362 HydrophobicContact CB-CB 3.68Å
311	D	78.9	Confident	90.1	Very high	91 Å²	91	33.6 Å²	33.6	49%	0.487	16%	0.164	S	C	.	.			trans	-72.4	110.6	157.6	-172.9	-10.2	0	0	0	107.2	T313 G361	D311-T313 VanDerWaalsContact CG-OG1 3.28Å; D311-T313 WeakPolarHBondContact OD1-CB 3.35Å; D311-T313 WeakPolarHBondContact OD1-CG2 3.47Å; D311-T313 PolarHBondContact OD1-N 3.41Å; D311-T313 PolarHBondContact OD1-OG1 2.98Å; D311-T313 PolarHBondContact OD2-OG1 3.03Å; D311-G361 WeakPolarHBondContact O-CA 3.33Å; D311-G361 PolarHBondContact O-N 3.35Å
312	L	85.2	Confident	89.8	Confident	6 Å²	6	33 Å²	33	3%	0.031	16%	0.161	C	C	.	.			trans	-84.7	-0.4	-177.5	-56.7	-177.7	0	0	0	112.2	V214 M217 A310 A362 I402 P404	V214-L312 HydrophobicContact CB-CD1 4.29Å; V214-L312 HydrophobicContact CG2-CD1 3.87Å; M217-L312 HydrophobicContact CE-CD1 3.7Å; M217-L312 HydrophobicContact CE-CG 3.9Å; M217-L312 HydrophobicContact CG-CD1 4.29Å; M217-L312 HydrophobicContact SD-CD1 3.53Å; M217-L312 VanDerWaalsContact SD-CD1 3.53Å; M217-L312 HydrophobicContact SD-CG 4.38Å; A310-L312 HydrophobicContact CB-CD2 3.9Å; A310-L312 PolarHBondContact O-N 3.16Å; L312-A362 HydrophobicContact CD2-CB 3.78Å; L312-I402 HydrophobicContact CD1-CG2 3.86Å; L312-I402 HydrophobicContact CD2-CB 4.12Å; L312-I402 HydrophobicContact CD2-CG2 4.08Å; L312-P404 WeakPolarHBondContact O-CD 3.46Å
313	T	76.1	Confident	89.2	Confident	57 Å²	57	35.1 Å²	35.1	35%	0.35	18%	0.175	S	C	.	.	S	Bend	trans	-77.6	134.9	175.9	66.6	0	0	0	0	109.9	D311	D311-T313 VanDerWaalsContact CG-OG1 3.28Å; D311-T313 WeakPolarHBondContact OD1-CB 3.35Å; D311-T313 WeakPolarHBondContact OD1-CG2 3.47Å; D311-T313 PolarHBondContact OD1-N 3.41Å; D311-T313 PolarHBondContact OD1-OG1 2.98Å; D311-T313 PolarHBondContact OD2-OG1 3.03Å
314	D	78.8	Confident	88.2	Confident	72 Å²	72	38.5 Å²	38.5	39%	0.385	19%	0.193	S	C	.	.	S	Bend	trans	54.8	64.1	173.4	-146.3	51.4	0	0	0	114	V316 S360 F588 K637	D314-V316 PolarHBondContact O-N 2.75Å; D314-S360 WeakPolarHBondContact O-CB 3.37Å; D314-S360 PolarHBondContact O-OG 3.18Å; D314-F588 HydrophobicContact CB-CE2 3.93Å; D314-F588 HydrophobicContact CB-CZ 4.21Å; D314-K637 VanDerWaalsContact OD1-CE 3.3Å; D314-K637 WeakPolarHBondContact OD1-CE 3.28Å; D314-K637 IonicContact OD1-NZ 3.92Å; D314-K637 PolarHBondContact OD1-NZ 2.64Å
315	P	90.1	Very high	86.7	Confident	13 Å²	13	48.1 Å²	48.1	8%	0.084	24%	0.238	C	C	.	.			trans	-69	131.3	-175.6	31.9	-36.8	0	0	0	110.9	T338 W363 P401 L403	P315-T338 WeakPolarHBondContact O-CA 3.45Å; P315-W363 HydrophobicContact CB-CZ2 3.64Å; P315-W363 HydrophobicContact CG-CZ2 4.29Å; P315-P401 HydrophobicContact CB-CB 3.7Å; P315-P401 HydrophobicContact CG-CB 3.54Å; P315-P401 HydrophobicContact CG-CG 4.14Å; P315-L403 HydrophobicContact CG-CD2 3.97Å
316	V	93.4	Very high	84.9	Confident	24 Å²	24	56.8 Å²	56.8	15%	0.145	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	130.9	175.8	-172.2	0	0	0	0	109.6	D314 E336 T338 L359 S360	D314-V316 PolarHBondContact O-N 2.75Å; V316-E336 HydrophobicContact CG1-CG 4.13Å; V316-T338 HydrophobicContact CG1-CG2 4.4Å; V316-T338 HydrophobicContact CG2-CG2 4.27Å; V316-L359 HydrophobicContact CB-CB 4.26Å; V316-L359 HydrophobicContact CG1-CB 4.46Å; V316-L359 HydrophobicContact CG1-CD1 3.91Å; V316-L359 PolarHBondContact O-N 2.68Å; V316-S360 WeakPolarHBondContact CB-OG 3.42Å; V316-S360 PolarHBondContact N-O 2.84Å; V316-S360 PolarHBondContact N-OG 3.33Å; V316-S360 PolarHBondContact O-N 3.24Å; V316-S360 VanDerWaalsContact O-N 3.12Å; V316-S360 VanDerWaalsContact O-O 3.14Å
317	M	96.7	Very high	82.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.1	177.2	178.6	177.6	67.9	0	0	110.1	M319 E336 V337 I356 H357 V358 W363 L378 V399	M317-M319 HydrophobicContact CE-CG 3.91Å; M317-M319 HydrophobicContact CE-SD 3.87Å; M317-E336 CarbonylContact O-C 3.32Å; M317-E336 WeakPolarHBondContact O-CA 3.2Å; M317-V337 HydrophobicContact CE-CB 4.42Å; M317-V337 PolarHBondContact N-O 3.24Å; M317-V337 PolarHBondContact O-N 3.02Å; M317-I356 HydrophobicContact CG-CG2 3.52Å; M317-I356 HydrophobicContact SD-CG2 3.35Å; M317-I356 WeakPolarHBondContact SD-CG2 3.36Å; M317-H357 CarbonylContact C-O 3.57Å; M317-H357 WeakPolarHBondContact CA-O 3.47Å; M317-V358 HydrophobicContact CG-CG2 4.07Å; M317-V358 HydrophobicContact SD-CG2 4.05Å; M317-W363 HydrophobicContact CB-CD2 4.06Å; M317-W363 HydrophobicContact CB-CG 4.31Å; M317-W363 HydrophobicContact CB-CZ2 4.05Å; M317-W363 HydrophobicContact CE-CD2 4.12Å; M317-W363 HydrophobicContact CE-CE3 3.9Å; M317-W363 HydrophobicContact CE-CG 4.46Å; M317-W363 HydrophobicContact CE-CZ3 4.41Å; M317-W363 HydrophobicContact SD-CB 4.14Å; M317-W363 HydrophobicContact SD-CD2 4.27Å; M317-W363 HydrophobicContact SD-CG 4.06Å; M317-L378 HydrophobicContact SD-CD1 3.84Å; M317-V399 HydrophobicContact CE-CB 3.99Å; M317-V399 HydrophobicContact CE-CG1 3.93Å; M317-V399 HydrophobicContact CE-CG2 4.05Å
318	V	97	Very high	81.3	Confident	20 Å²	20	66.4 Å²	66.4	12%	0.121	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.4	172.5	-174.9	0	0	0	0	109	F320 T334 F335 E336 H357 L359	V318-F320 HydrophobicContact CB-CE2 4.1Å; V318-F320 HydrophobicContact CB-CZ 4.39Å; V318-F320 HydrophobicContact CG1-CD2 4.43Å; V318-F320 HydrophobicContact CG1-CE1 4.44Å; V318-F320 HydrophobicContact CG1-CE2 3.77Å; V318-F320 HydrophobicContact CG1-CZ 3.77Å; V318-T334 HydrophobicContact CG1-CG2 4.37Å; V318-F335 WeakPolarHBondContact CA-O 3.4Å; V318-E336 HydrophobicContact CG2-CG 4.43Å; V318-H357 HydrophobicContact CB-CB 4.48Å; V318-H357 PolarHBondContact N-O 2.78Å; V318-H357 PolarHBondContact O-N 2.85Å; V318-L359 HydrophobicContact CG2-CD1 4.01Å
319	M	97.3	Very high	79.6	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142	174.8	-61.3	176.2	62.4	0	0	110.3	M317 T334 F335 V337 Y349 T353 I356 V396 V399	M317-M319 HydrophobicContact CE-CG 3.91Å; M317-M319 HydrophobicContact CE-SD 3.87Å; M319-T334 CarbonylContact O-C 3.59Å; M319-T334 WeakPolarHBondContact O-CA 3.37Å; M319-F335 PolarHBondContact N-O 3.43Å; M319-F335 PolarHBondContact O-N 2.78Å; M319-V337 HydrophobicContact SD-CG2 4.3Å; M319-Y349 HydrophobicContact CB-CE1 4.43Å; M319-Y349 HydrophobicContact CB-CE2 4.16Å; M319-Y349 HydrophobicContact CE-CD1 4.49Å; M319-Y349 HydrophobicContact CE-CE1 3.72Å; M319-T353 HydrophobicContact CE-CG2 4.11Å; M319-T353 WeakPolarHBondContact CE-OG1 3.18Å; M319-I356 HydrophobicContact CG-CG1 4.41Å; M319-V396 HydrophobicContact CE-CB 4Å; M319-V396 HydrophobicContact CE-CG1 3.61Å; M319-V399 HydrophobicContact CE-CG1 4.29Å; M319-V399 HydrophobicContact SD-CG1 3.84Å; M319-V399 HydrophobicContact SD-CG2 4.36Å
320	F	95.3	Very high	78.4	Confident	40 Å²	40	69.8 Å²	69.8	18%	0.175	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120	-178.2	-61.6	-100.3	0	0	0	109.2	V318 T334 Y349 R354 S355 H357 F382	V318-F320 HydrophobicContact CB-CE2 4.1Å; V318-F320 HydrophobicContact CB-CZ 4.39Å; V318-F320 HydrophobicContact CG1-CD2 4.43Å; V318-F320 HydrophobicContact CG1-CE1 4.44Å; V318-F320 HydrophobicContact CG1-CE2 3.77Å; V318-F320 HydrophobicContact CG1-CZ 3.77Å; F320-T334 HydrophobicContact CD1-CG2 3.57Å; F320-T334 HydrophobicContact CE1-CG2 3.51Å; F320-T334 HydrophobicContact CG-CG2 4.44Å; F320-T334 HydrophobicContact CZ-CG2 4.35Å; F320-Y349 PolarHBondContact N-OH 3.24Å; F320-Y349 PolarHBondContact O-OH 3.3Å; F320-Y349 VanDerWaalsContact O-OH 3.08Å; F320-R354 WeakPolarHBondContact O-CB 3.44Å; F320-R354 PolarHBondContact O-N 2.81Å; F320-S355 WeakPolarHBondContact CB-OG 3.36Å; F320-S355 WeakPolarHBondContact CD2-O 3.35Å; F320-S355 PolarHBondContact N-O 2.87Å; F320-S355 PolarHBondContact O-N 2.81Å; F320-H357 HydrophobicContact CE2-CB 3.98Å; F320-F382 HydrophobicContact CE2-CE2 4.24Å
321	E	92.3	Very high	77.6	Confident	25 Å²	25	77.4 Å²	77.4	12%	0.117	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	148.2	-177.6	-163.6	175.5	119.1	0	0	111.6	K333 Y349 K350	E321-K333 HydrophobicContact CB-CB 4.16Å; E321-K333 PolarHBondContact N-O 2.82Å; E321-K333 VanDerWaalsContact N-O 3.07Å; E321-Y349 WeakPolarHBondContact CA-OH 3.19Å; E321-Y349 HydrophobicContact CB-CD2 4.46Å; E321-Y349 HydrophobicContact CB-CE2 3.81Å; E321-Y349 HydrophobicContact CG-CE2 4.47Å; E321-Y349 PolarHBondContact N-OH 2.9Å; E321-K350 HydrophobicContact CG-CB 3.99Å; E321-K350 HydrophobicContact CG-CG 4.45Å; E321-K350 WeakPolarHBondContact OE1-CD 3.42Å; E321-K350 WeakPolarHBondContact OE1-CE 3.38Å; E321-K350 VanDerWaalsContact OE1-CG 3.3Å; E321-K350 WeakPolarHBondContact OE1-CG 3.33Å; E321-K350 IonicContact OE1-NZ 2.68Å; E321-K350 PolarHBondContact OE1-NZ 3.11Å; E321-K350 PolarHBondContact OE2-N 3.07Å; E321-K350 VanDerWaalsContact OE2-N 3.08Å
322	Q	87.6	Confident	77.1	Confident	75 Å²	75	79.2 Å²	79.2	35%	0.35	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-69.8	123.6	170.2	-172.7	69.7	23.4	0	0	110.4	S352 R354	Q322-S352 WeakPolarHBondContact CB-O 3.47Å; Q322-S352 WeakPolarHBondContact CB-OG 3.35Å; Q322-S352 PolarHBondContact N-O 3.06Å; Q322-R354 HydrophobicContact CB-CB 4.44Å; Q322-R354 VanDerWaalsContact OE1-CB 3.3Å
323	P	80.3	Confident	77.1	Confident	50 Å²	50	83.3 Å²	83.3	33%	0.325	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-67.5	144.4	178.2	27.4	-33.6	0	0	0	110.9	T330	P323-T330 HydrophobicContact CB-CG2 3.89Å
324	E	70.8	Confident	77.8	Confident	127 Å²	127	84.4 Å²	84.4	59%	0.593	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-77.4	132.6	168.5	-74.3	175	-174.5	0	0	109.4	E326 K350	E324-E326 PolarHBondContact O-N 3.17Å; E324-K350 VanDerWaalsContact CD-NZ 3.31Å; E324-K350 IonicContact OE1-NZ 3.06Å; E324-K350 PolarHBondContact OE1-NZ 3.25Å
325	E	63	Low	78.5	Confident	201 Å²	201	82.2 Å²	82.2	94%	0.939	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.8	-173	-67	-176.6	164.1	0	0	114.2
326	E	57.4	Low	78.7	Confident	182 Å²	182	87.7 Å²	87.7	85%	0.85	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-9.4	-162	-74.9	-165	161.9	0	0	118.1	E324	E324-E326 PolarHBondContact O-N 3.17Å
327	Q	53.1	Low	78.7	Confident	166 Å²	166	86.7 Å²	86.7	78%	0.776	45%	0.45	S	S	*	.	S	Bend	trans	-141.3	116.4	177.4	-65.6	-173.5	6.5	0	0	112.9	V329	Q327-V329 PolarHBondContact O-N 3.01Å
328	G	57.7	Low	78.4	Confident	79 Å²	79	90.2 Å²	90.2	81%	0.814	47%	0.472	S	S	*	.	S	Bend	trans	-54.2	130.1	177.8	0	0	0	0	0	111.4
329	V	56.1	Low	78.2	Confident	141 Å²	141	95 Å²	95	86%	0.855	49%	0.493	S	S	*	.			trans	82.3	73.5	-168.7	-160.1	0	0	0	0	113	Q327	Q327-V329 PolarHBondContact O-N 3.01Å
330	T	58.5	Low	78.1	Confident	78 Å²	78	96 Å²	96	48%	0.479	50%	0.502	S	S	.	.			trans	-83.1	112.2	162.3	-14.4	0	0	0	0	107.8	P323 E332	P323-T330 HydrophobicContact CB-CG2 3.89Å; T330-E332 PolarHBondContact O-N 3.24Å
331	E	63.6	Low	78.1	Confident	178 Å²	178	94.3 Å²	94.3	83%	0.832	49%	0.494	S	S	*	.			trans	-58.2	128.2	161.1	-73.7	-176.4	164.6	0	0	107.7	K333	E331-K333 PolarHBondContact O-N 3.12Å
332	E	68.8	Low	78.2	Confident	130 Å²	130	95.3 Å²	95.3	61%	0.607	50%	0.503	S	S	*	.			trans	-67.2	101.9	177.2	-72.6	-168.9	153.3	0	0	108.8	T330 T334 R354	T330-E332 PolarHBondContact O-N 3.24Å; E332-T334 PolarHBondContact O-N 2.96Å; E332-R354 IonicContact OE1-NH1 3.81Å; E332-R354 PolarHBondContact OE1-NH1 3.39Å
333	K	84.4	Confident	78.4	Confident	91 Å²	91	92.4 Å²	92.4	40%	0.396	49%	0.49	S	S	.	.			trans	-72.6	112.4	174.9	-166.4	168	-174	171.1	0	109.1	E321 E331 D348	E321-K333 HydrophobicContact CB-CB 4.16Å; E321-K333 PolarHBondContact N-O 2.82Å; E321-K333 VanDerWaalsContact N-O 3.07Å; E331-K333 PolarHBondContact O-N 3.12Å; K333-D348 WeakPolarHBondContact CE-O 3.15Å; K333-D348 VanDerWaalsContact NZ-CB 3.35Å; K333-D348 PolarHBondContact NZ-O 3.08Å
334	T	91	Very high	79.1	Confident	80 Å²	80	90 Å²	90	49%	0.491	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.5	176.5	55.2	0	0	0	0	109.8	V318 M319 F320 E332	V318-T334 HydrophobicContact CG1-CG2 4.37Å; M319-T334 CarbonylContact O-C 3.59Å; M319-T334 WeakPolarHBondContact O-CA 3.37Å; F320-T334 HydrophobicContact CD1-CG2 3.57Å; F320-T334 HydrophobicContact CE1-CG2 3.51Å; F320-T334 HydrophobicContact CG-CG2 4.44Å; F320-T334 HydrophobicContact CZ-CG2 4.35Å; E332-T334 PolarHBondContact O-N 2.96Å
335	F	93.4	Very high	80.1	Confident	27 Å²	27	88.5 Å²	88.5	12%	0.118	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	108	173.9	-178.4	-156.9	0	0	0	108.5	V318 M319 V337 I341 V344 F347 Y349	V318-F335 WeakPolarHBondContact CA-O 3.4Å; M319-F335 PolarHBondContact N-O 3.43Å; M319-F335 PolarHBondContact O-N 2.78Å; F335-V337 HydrophobicContact CD1-CG2 3.84Å; F335-V337 HydrophobicContact CD2-CG2 4.15Å; F335-V337 HydrophobicContact CE1-CG2 3.85Å; F335-V337 HydrophobicContact CE2-CG2 4.16Å; F335-V337 HydrophobicContact CG-CG2 3.99Å; F335-V337 HydrophobicContact CZ-CG2 4.01Å; F335-I341 HydrophobicContact CE1-CG1 4.37Å; F335-I341 HydrophobicContact CE1-CG2 4.29Å; F335-I341 HydrophobicContact CZ-CD1 4.14Å; F335-I341 HydrophobicContact CZ-CG1 4.13Å; F335-I341 HydrophobicContact CZ-CG2 4.45Å; F335-V344 HydrophobicContact CE1-CG1 4.45Å; F335-F347 HydrophobicContact CE1-CB 3.9Å; F335-F347 HydrophobicContact CE1-CD2 4.38Å; F335-F347 HydrophobicContact CE1-CG 4.19Å; F335-F347 HydrophobicContact CE2-CB 3.84Å; F335-F347 HydrophobicContact CE2-CD1 4.02Å; F335-F347 AromaticContact CE2-CG 3.96Å; F335-F347 HydrophobicContact CE2-CG 3.96Å; F335-F347 HydrophobicContact CZ-CB 3.46Å; F335-F347 VanDerWaalsContact CZ-CB 3.46Å; F335-F347 AromaticContact CZ-CD1 3.86Å; F335-F347 HydrophobicContact CZ-CD1 3.86Å; F335-F347 AromaticContact CZ-CD2 3.84Å; F335-F347 HydrophobicContact CZ-CD2 3.84Å; F335-F347 AromaticContact CZ-CG 3.43Å; F335-F347 HydrophobicContact CZ-CG 3.43Å; F335-F347 VanDerWaalsContact CZ-CG 3.43Å; F335-Y349 HydrophobicContact CB-CD2 3.51Å; F335-Y349 HydrophobicContact CB-CE2 3.94Å; F335-Y349 HydrophobicContact CB-CG 4.13Å; F335-Y349 HydrophobicContact CD1-CD1 4.42Å; F335-Y349 HydrophobicContact CD1-CD2 4.17Å; F335-Y349 AromaticContact CD1-CG 3.9Å; F335-Y349 HydrophobicContact CD1-CG 3.9Å; F335-Y349 HydrophobicContact CG-CD2 4.27Å; F335-Y349 HydrophobicContact CG-CG 4.42Å
336	E	94.8	Very high	81.3	Confident	128 Å²	128	84.7 Å²	84.7	60%	0.598	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.2	171.4	-174	177.3	130	0	0	109.2	V316 M317 V318	V316-E336 HydrophobicContact CG1-CG 4.13Å; M317-E336 CarbonylContact O-C 3.32Å; M317-E336 WeakPolarHBondContact O-CA 3.2Å; V318-E336 HydrophobicContact CG2-CG 4.43Å
337	V	93.8	Very high	82.8	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.012	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.3	-174.5	-169.1	0	0	0	0	109	M317 M319 F335 E339 I341 W363 V399	M317-V337 HydrophobicContact CE-CB 4.42Å; M317-V337 PolarHBondContact N-O 3.24Å; M317-V337 PolarHBondContact O-N 3.02Å; M319-V337 HydrophobicContact SD-CG2 4.3Å; F335-V337 HydrophobicContact CD1-CG2 3.84Å; F335-V337 HydrophobicContact CD2-CG2 4.15Å; F335-V337 HydrophobicContact CE1-CG2 3.85Å; F335-V337 HydrophobicContact CE2-CG2 4.16Å; F335-V337 HydrophobicContact CG-CG2 3.99Å; F335-V337 HydrophobicContact CZ-CG2 4.01Å; V337-E339 VanDerWaalsContact CG1-O 3.23Å; V337-E339 WeakPolarHBondContact CG1-O 3.45Å; V337-I341 HydrophobicContact CG1-CD1 4.18Å; V337-I341 HydrophobicContact CG1-CG1 3.46Å; V337-I341 VanDerWaalsContact CG1-CG1 3.46Å; V337-W363 HydrophobicContact CB-CH2 4.14Å; V337-W363 HydrophobicContact CB-CZ3 4.34Å; V337-W363 HydrophobicContact CG1-CH2 3.71Å; V337-W363 HydrophobicContact CG1-CZ3 3.65Å; V337-W363 VanDerWaalsContact O-CH2 3.31Å; V337-W363 WeakPolarHBondContact O-CH2 3.13Å; V337-W363 VanDerWaalsContact O-CZ2 3.25Å; V337-W363 WeakPolarHBondContact O-CZ2 3.46Å; V337-V399 HydrophobicContact CG1-CG2 3.87Å; V337-V399 HydrophobicContact CG2-CG2 4.5Å
338	T	91.1	Very high	84.5	Confident	75 Å²	75	78.6 Å²	78.6	46%	0.46	43%	0.427	S	S	.	.			trans	-124	-12.4	-179.9	56.9	0	0	0	0	113.1	P315 V316	P315-T338 WeakPolarHBondContact O-CA 3.45Å; V316-T338 HydrophobicContact CG1-CG2 4.4Å; V316-T338 HydrophobicContact CG2-CG2 4.27Å
339	E	92.6	Very high	86.1	Confident	119 Å²	119	75 Å²	75	56%	0.556	39%	0.389	S	S	*	.	S	Bend	trans	-134.5	177.5	-179.4	65.6	-175.7	166.5	0	0	112	V337 I341	V337-E339 VanDerWaalsContact CG1-O 3.23Å; V337-E339 WeakPolarHBondContact CG1-O 3.45Å; E339-I341 HydrophobicContact CG-CD1 4.2Å; E339-I341 PolarHBondContact O-N 2.66Å
340	A	95	Very high	87.8	Confident	23 Å²	23	72.1 Å²	72.1	19%	0.19	37%	0.365	C	S	.	.			trans	-70.9	128.7	177.8	0	0	0	0	0	111.2	E211 F371 V399 Q400	E211-A340 HydrophobicContact CG-CB 4.08Å; A340-F371 HydrophobicContact CB-CE1 4.28Å; A340-F371 HydrophobicContact CB-CZ 3.89Å; A340-V399 CarbonylContact C-O 3.5Å; A340-V399 WeakPolarHBondContact CA-O 3.42Å; A340-Q400 HydrophobicContact CB-CB 3.78Å
341	I	95.8	Very high	89.4	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.021	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-115.2	104.9	179.9	-53.1	-59.2	0	0	0	108.6	F335 V337 E339 D343 V344 F347 F371 S398 V399	F335-I341 HydrophobicContact CE1-CG1 4.37Å; F335-I341 HydrophobicContact CE1-CG2 4.29Å; F335-I341 HydrophobicContact CZ-CD1 4.14Å; F335-I341 HydrophobicContact CZ-CG1 4.13Å; F335-I341 HydrophobicContact CZ-CG2 4.45Å; V337-I341 HydrophobicContact CG1-CD1 4.18Å; V337-I341 HydrophobicContact CG1-CG1 3.46Å; V337-I341 VanDerWaalsContact CG1-CG1 3.46Å; E339-I341 HydrophobicContact CG-CD1 4.2Å; E339-I341 PolarHBondContact O-N 2.66Å; I341-D343 VanDerWaalsContact C-N 3.34Å; I341-V344 HydrophobicContact CG2-CG1 4.03Å; I341-F347 HydrophobicContact CD1-CD2 4.35Å; I341-F347 HydrophobicContact CD1-CE1 4.48Å; I341-F347 HydrophobicContact CD1-CE2 3.75Å; I341-F347 HydrophobicContact CD1-CZ 3.81Å; I341-F347 HydrophobicContact CG2-CD2 3.8Å; I341-F347 HydrophobicContact CG2-CE2 3.77Å; I341-F371 WeakPolarHBondContact O-CE1 3.3Å; I341-S398 CarbonylContact O-C 3.54Å; I341-S398 WeakPolarHBondContact O-CA 3.49Å; I341-S398 WeakPolarHBondContact O-CB 3.43Å; I341-V399 HydrophobicContact CB-CG2 3.84Å; I341-V399 HydrophobicContact CG1-CG2 3.97Å; I341-V399 PolarHBondContact N-O 2.82Å; I341-V399 PolarHBondContact O-N 3.26Å
342	P	92.9	Very high	90.8	Very high	45 Å²	45	63.7 Å²	63.7	29%	0.292	33%	0.327	S	S	.	.	S	Bend	trans	-74.2	-23.4	-178.9	29	-34.3	0	0	0	113.2	V369 D370 F371 S398	P342-V369 CarbonylContact O-C 3.55Å; P342-V369 WeakPolarHBondContact O-CA 3.45Å; P342-D370 PolarHBondContact O-N 3.38Å; P342-F371 HydrophobicContact CB-CE2 4.16Å; P342-F371 HydrophobicContact CB-CZ 3.92Å; P342-S398 VanDerWaalsContact O-CB 3.27Å; P342-S398 WeakPolarHBondContact O-CB 3.28Å
343	D	93.3	Very high	92.1	Very high	15 Å²	15	57.5 Å²	57.5	8%	0.08	30%	0.298	C	S	.	.			trans	-149.8	111.5	174.5	179.7	6.2	0	0	0	109.4	K16 I341 E345 L346 V369 C397	K16-D343 VanDerWaalsContact CE-OD2 3.26Å; K16-D343 WeakPolarHBondContact CE-OD2 3.47Å; K16-D343 IonicContact NZ-OD1 2.65Å; K16-D343 PolarHBondContact NZ-OD1 2.87Å; K16-D343 IonicContact NZ-OD2 3.69Å; K16-D343 PolarHBondContact NZ-OD2 2.81Å; I341-D343 VanDerWaalsContact C-N 3.34Å; D343-E345 PolarHBondContact O-N 2.97Å; D343-E345 WeakPolarHBondContact OD1-CB 3.43Å; D343-E345 PolarHBondContact OD1-N 3.19Å; D343-L346 HydrophobicContact CB-CD1 3.93Å; D343-L346 HydrophobicContact CB-CG 3.93Å; D343-L346 WeakPolarHBondContact O-CB 3.43Å; D343-L346 PolarHBondContact O-N 3.02Å; D343-V369 HydrophobicContact CB-CG1 4.09Å; D343-C397 WeakPolarHBondContact CA-O 3.34Å
344	V	93.9	Very high	92.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-64.3	-25.1	-179.4	-62.1	0	0	0	0	112.6	F335 I341 L346 F347 Y349 T351 C397	F335-V344 HydrophobicContact CE1-CG1 4.45Å; I341-V344 HydrophobicContact CG2-CG1 4.03Å; V344-L346 PolarHBondContact O-N 3.33Å; V344-F347 PolarHBondContact O-N 2.64Å; V344-F347 VanDerWaalsContact O-N 3.07Å; V344-Y349 CarbonylContact C-O 3.58Å; V344-Y349 HydrophobicContact CB-CD1 3.91Å; V344-Y349 HydrophobicContact CG2-CD1 3.95Å; V344-Y349 WeakPolarHBondContact O-CB 3.32Å; V344-Y349 PolarHBondContact O-N 2.98Å; V344-T351 HydrophobicContact CG2-CG2 4.44Å; V344-C397 PolarHBondContact N-O 2.79Å
345	E	91.8	Very high	92.9	Very high	95 Å²	95	54.9 Å²	54.9	44%	0.444	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-69.2	-19.1	178.7	-62.6	-168.1	145.7	0	0	112.4	K16 D343 F347 D348 Y349 T351	K16-E345 IonicContact NZ-OE2 3.39Å; K16-E345 PolarHBondContact NZ-OE2 3.29Å; D343-E345 PolarHBondContact O-N 2.97Å; D343-E345 WeakPolarHBondContact OD1-CB 3.43Å; D343-E345 PolarHBondContact OD1-N 3.19Å; E345-F347 PolarHBondContact O-N 3.23Å; E345-D348 PolarHBondContact O-N 2.61Å; E345-Y349 WeakPolarHBondContact CA-O 3.3Å; E345-T351 HydrophobicContact CG-CG2 4.09Å
346	L	88.9	Confident	93.1	Very high	121 Å²	121	53.6 Å²	53.6	63%	0.634	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-65.6	-18	172.5	-64.4	175.3	0	0	0	112.7	D343 V344	D343-L346 HydrophobicContact CB-CD1 3.93Å; D343-L346 HydrophobicContact CB-CG 3.93Å; D343-L346 WeakPolarHBondContact O-CB 3.43Å; D343-L346 PolarHBondContact O-N 3.02Å; V344-L346 PolarHBondContact O-N 3.33Å
347	F	88.5	Confident	93.3	Very high	92 Å²	92	50.7 Å²	50.7	40%	0.404	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-108.9	24.9	179.2	-62.2	-93.1	0	0	0	111.4	F335 I341 V344 E345 Y349	F335-F347 HydrophobicContact CE1-CB 3.9Å; F335-F347 HydrophobicContact CE1-CD2 4.38Å; F335-F347 HydrophobicContact CE1-CG 4.19Å; F335-F347 HydrophobicContact CE2-CB 3.84Å; F335-F347 HydrophobicContact CE2-CD1 4.02Å; F335-F347 AromaticContact CE2-CG 3.96Å; F335-F347 HydrophobicContact CE2-CG 3.96Å; F335-F347 HydrophobicContact CZ-CB 3.46Å; F335-F347 VanDerWaalsContact CZ-CB 3.46Å; F335-F347 AromaticContact CZ-CD1 3.86Å; F335-F347 HydrophobicContact CZ-CD1 3.86Å; F335-F347 AromaticContact CZ-CD2 3.84Å; F335-F347 HydrophobicContact CZ-CD2 3.84Å; F335-F347 AromaticContact CZ-CG 3.43Å; F335-F347 HydrophobicContact CZ-CG 3.43Å; F335-F347 VanDerWaalsContact CZ-CG 3.43Å; I341-F347 HydrophobicContact CD1-CD2 4.35Å; I341-F347 HydrophobicContact CD1-CE1 4.48Å; I341-F347 HydrophobicContact CD1-CE2 3.75Å; I341-F347 HydrophobicContact CD1-CZ 3.81Å; I341-F347 HydrophobicContact CG2-CD2 3.8Å; I341-F347 HydrophobicContact CG2-CE2 3.77Å; V344-F347 PolarHBondContact O-N 2.64Å; V344-F347 VanDerWaalsContact O-N 3.07Å; E345-F347 PolarHBondContact O-N 3.23Å; F347-Y349 PolarHBondContact O-N 3.21Å
348	D	88.2	Confident	93.4	Very high	128 Å²	128	50.6 Å²	50.6	68%	0.684	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	14.1	-176	-61.9	-48.4	0	0	0	114.3	K333 E345	K333-D348 WeakPolarHBondContact CE-O 3.15Å; K333-D348 VanDerWaalsContact NZ-CB 3.35Å; K333-D348 PolarHBondContact NZ-O 3.08Å; E345-D348 PolarHBondContact O-N 2.61Å
349	Y	91.1	Very high	93.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.008	25%	0.253	C	S	.	.			trans	-89.9	134.3	179.8	-172.6	-93.3	0	0	0	110.6	M319 F320 E321 F335 V344 E345 F347 T353	M319-Y349 HydrophobicContact CB-CE1 4.43Å; M319-Y349 HydrophobicContact CB-CE2 4.16Å; M319-Y349 HydrophobicContact CE-CD1 4.49Å; M319-Y349 HydrophobicContact CE-CE1 3.72Å; F320-Y349 PolarHBondContact N-OH 3.24Å; F320-Y349 PolarHBondContact O-OH 3.3Å; F320-Y349 VanDerWaalsContact O-OH 3.08Å; E321-Y349 WeakPolarHBondContact CA-OH 3.19Å; E321-Y349 HydrophobicContact CB-CD2 4.46Å; E321-Y349 HydrophobicContact CB-CE2 3.81Å; E321-Y349 HydrophobicContact CG-CE2 4.47Å; E321-Y349 PolarHBondContact N-OH 2.9Å; F335-Y349 HydrophobicContact CB-CD2 3.51Å; F335-Y349 HydrophobicContact CB-CE2 3.94Å; F335-Y349 HydrophobicContact CB-CG 4.13Å; F335-Y349 HydrophobicContact CD1-CD1 4.42Å; F335-Y349 HydrophobicContact CD1-CD2 4.17Å; F335-Y349 AromaticContact CD1-CG 3.9Å; F335-Y349 HydrophobicContact CD1-CG 3.9Å; F335-Y349 HydrophobicContact CG-CD2 4.27Å; F335-Y349 HydrophobicContact CG-CG 4.42Å; V344-Y349 CarbonylContact C-O 3.58Å; V344-Y349 HydrophobicContact CB-CD1 3.91Å; V344-Y349 HydrophobicContact CG2-CD1 3.95Å; V344-Y349 WeakPolarHBondContact O-CB 3.32Å; V344-Y349 PolarHBondContact O-N 2.98Å; E345-Y349 WeakPolarHBondContact CA-O 3.3Å; F347-Y349 PolarHBondContact O-N 3.21Å; Y349-T353 PolarHBondContact OH-OG1 3.38Å
350	K	92	Very high	93.2	Very high	82 Å²	82	46.3 Å²	46.3	36%	0.357	24%	0.238	S	C	.	.			trans	-77.5	155	177.7	-62.4	-177	-159.9	156.2	0	111.9	E321 E324 S352	E321-K350 HydrophobicContact CG-CB 3.99Å; E321-K350 HydrophobicContact CG-CG 4.45Å; E321-K350 WeakPolarHBondContact OE1-CD 3.42Å; E321-K350 WeakPolarHBondContact OE1-CE 3.38Å; E321-K350 VanDerWaalsContact OE1-CG 3.3Å; E321-K350 WeakPolarHBondContact OE1-CG 3.33Å; E321-K350 IonicContact OE1-NZ 2.68Å; E321-K350 PolarHBondContact OE1-NZ 3.11Å; E321-K350 PolarHBondContact OE2-N 3.07Å; E321-K350 VanDerWaalsContact OE2-N 3.08Å; E324-K350 VanDerWaalsContact CD-NZ 3.31Å; E324-K350 IonicContact OE1-NZ 3.06Å; E324-K350 PolarHBondContact OE1-NZ 3.25Å; K350-S352 PolarHBondContact O-N 3.45Å; K350-S352 VanDerWaalsContact O-N 3.16Å
351	T	92.3	Very high	93	Very high	42 Å²	42	45.4 Å²	45.4	26%	0.258	23%	0.231	S	C	.	.	S	Bend	trans	-69.4	-13.7	180	64.7	0	0	0	0	114.2	V344 E345 T353 R395 V396 C397	V344-T351 HydrophobicContact CG2-CG2 4.44Å; E345-T351 HydrophobicContact CG-CG2 4.09Å; T351-T353 PolarHBondContact O-N 3.09Å; T351-R395 CarbonylContact O-C 3.53Å; T351-R395 VanDerWaalsContact O-CA 3.27Å; T351-R395 WeakPolarHBondContact O-CA 3.41Å; T351-V396 WeakPolarHBondContact CA-O 3.44Å; T351-V396 PolarHBondContact O-N 3.38Å; T351-C397 HydrophobicContact CG2-CB 4.38Å; T351-C397 WeakPolarHBondContact CG2-SG 3.48Å
352	S	94.4	Very high	93	Very high	37 Å²	37	45.2 Å²	45.2	26%	0.259	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-89	105.8	178.7	-167.4	0	0	0	0	110.8	Q322 K350 T394	Q322-S352 WeakPolarHBondContact CB-O 3.47Å; Q322-S352 WeakPolarHBondContact CB-OG 3.35Å; Q322-S352 PolarHBondContact N-O 3.06Å; K350-S352 PolarHBondContact O-N 3.45Å; K350-S352 VanDerWaalsContact O-N 3.16Å; S352-T394 PolarHBondContact OG-OG1 2.75Å
353	T	95.4	Very high	93.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.4	-177.8	-59.5	0	0	0	0	111.1	M319 Y349 T351 I356 W389 T394	M319-T353 HydrophobicContact CE-CG2 4.11Å; M319-T353 WeakPolarHBondContact CE-OG1 3.18Å; Y349-T353 PolarHBondContact OH-OG1 3.38Å; T351-T353 PolarHBondContact O-N 3.09Å; T353-I356 HydrophobicContact CG2-CD1 4.03Å; T353-I356 HydrophobicContact CG2-CG1 3.59Å; T353-W389 HydrophobicContact CG2-CH2 4.27Å; T353-T394 PolarHBondContact N-O 3.44Å; T353-T394 WeakPolarHBondContact O-CB 3.3Å
354	R	94.9	Very high	93.5	Very high	107 Å²	107	42.3 Å²	42.3	40%	0.404	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-53.8	176.3	178.6	178.8	170.8	-163.2	-5.2	111.8	F320 Q322 E332 N385	F320-R354 WeakPolarHBondContact O-CB 3.44Å; F320-R354 PolarHBondContact O-N 2.81Å; Q322-R354 HydrophobicContact CB-CB 4.44Å; Q322-R354 VanDerWaalsContact OE1-CB 3.3Å; E332-R354 IonicContact OE1-NH1 3.81Å; E332-R354 PolarHBondContact OE1-NH1 3.39Å; R354-N385 WeakPolarHBondContact O-CA 3.35Å
355	S	96.6	Very high	93.7	Very high	8 Å²	8	42.3 Å²	42.3	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.5	-174.1	53.2	0	0	0	0	110.7	F320 Y383	F320-S355 WeakPolarHBondContact CB-OG 3.36Å; F320-S355 WeakPolarHBondContact CD2-O 3.35Å; F320-S355 PolarHBondContact N-O 2.87Å; F320-S355 PolarHBondContact O-N 2.81Å; S355-Y383 CarbonylContact C-O 3.6Å; S355-Y383 WeakPolarHBondContact CA-O 3.41Å; S355-Y383 WeakPolarHBondContact CB-O 3.41Å
356	I	98.1	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.3	-179.6	-57.7	176.5	0	0	0	108.9	M317 M319 T353 V358 L378 Y383 W389	M317-I356 HydrophobicContact CG-CG2 3.52Å; M317-I356 HydrophobicContact SD-CG2 3.35Å; M317-I356 WeakPolarHBondContact SD-CG2 3.36Å; M319-I356 HydrophobicContact CG-CG1 4.41Å; T353-I356 HydrophobicContact CG2-CD1 4.03Å; T353-I356 HydrophobicContact CG2-CG1 3.59Å; I356-V358 HydrophobicContact CG2-CG2 4.27Å; I356-L378 HydrophobicContact CD1-CD1 3.82Å; I356-L378 HydrophobicContact CG2-CD1 4.08Å; I356-Y383 PolarHBondContact N-O 2.62Å; I356-Y383 PolarHBondContact O-N 3.18Å; I356-W389 HydrophobicContact CD1-CD2 4.41Å; I356-W389 HydrophobicContact CD1-CE3 4.27Å; I356-W389 HydrophobicContact CD1-CZ3 4.36Å; I356-W389 HydrophobicContact CG1-CE3 4.49Å; I356-W389 HydrophobicContact CG1-CZ3 4.22Å
357	H	97.8	Very high	94.3	Very high	67 Å²	67	32.6 Å²	32.6	31%	0.31	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.6	171.9	-166.9	-178.1	0	0	0	109.8	M317 V318 F320 L359 F382	M317-H357 CarbonylContact C-O 3.57Å; M317-H357 WeakPolarHBondContact CA-O 3.47Å; V318-H357 HydrophobicContact CB-CB 4.48Å; V318-H357 PolarHBondContact N-O 2.78Å; V318-H357 PolarHBondContact O-N 2.85Å; F320-H357 HydrophobicContact CE2-CB 3.98Å; H357-L359 VanDerWaalsContact CE1-CD2 3.4Å; H357-L359 WeakPolarHBondContact CE1-CD2 3.43Å; H357-L359 PolarHBondContact O-N 3.17Å; H357-F382 HydrophobicContact CB-CD2 3.71Å; H357-F382 HydrophobicContact CB-CE2 4.15Å; H357-F382 AromaticContact CG-CD2 3.83Å
358	V	97.4	Very high	94.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.2	171.7	-177.8	0	0	0	0	108.4	M317 I356 L378 E379 G381 Y383	M317-V358 HydrophobicContact CG-CG2 4.07Å; M317-V358 HydrophobicContact SD-CG2 4.05Å; I356-V358 HydrophobicContact CG2-CG2 4.27Å; V358-L378 HydrophobicContact CG2-CB 3.78Å; V358-E379 WeakPolarHBondContact CB-O 3.25Å; V358-G381 PolarHBondContact N-O 3.31Å; V358-G381 PolarHBondContact O-N 3.11Å; V358-Y383 HydrophobicContact CG2-CE2 4.09Å
359	L	90.9	Very high	95	Very high	70 Å²	70	23.8 Å²	23.8	37%	0.366	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-41	-179.3	-63	175.6	0	0	0	111.3	V316 V318 H357 K380	V316-L359 HydrophobicContact CB-CB 4.26Å; V316-L359 HydrophobicContact CG1-CB 4.46Å; V316-L359 HydrophobicContact CG1-CD1 3.91Å; V316-L359 PolarHBondContact O-N 2.68Å; V318-L359 HydrophobicContact CG2-CD1 4.01Å; H357-L359 VanDerWaalsContact CE1-CD2 3.4Å; H357-L359 WeakPolarHBondContact CE1-CD2 3.43Å; H357-L359 PolarHBondContact O-N 3.17Å; L359-K380 VanDerWaalsContact O-CE 3.24Å; L359-K380 WeakPolarHBondContact O-CE 3.32Å
360	S	88.9	Confident	95.1	Very high	34 Å²	34	25.8 Å²	25.8	24%	0.238	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	162.6	179.7	54.3	0	0	0	0	111.3	D314 V316 W363	D314-S360 WeakPolarHBondContact O-CB 3.37Å; D314-S360 PolarHBondContact O-OG 3.18Å; V316-S360 WeakPolarHBondContact CB-OG 3.42Å; V316-S360 PolarHBondContact N-O 2.84Å; V316-S360 PolarHBondContact N-OG 3.33Å; V316-S360 PolarHBondContact O-N 3.24Å; V316-S360 VanDerWaalsContact O-N 3.12Å; V316-S360 VanDerWaalsContact O-O 3.14Å; S360-W363 PolarHBondContact O-NE1 2.83Å
361	G	90.9	Very high	95.3	Very high	4 Å²	4	23 Å²	23	4%	0.041	12%	0.119	C	C	.	.	S	Bend	trans	81.8	-176.8	-175.3	0	0	0	0	0	114	D311	D311-G361 WeakPolarHBondContact O-CA 3.33Å; D311-G361 PolarHBondContact O-N 3.35Å
362	A	95.5	Very high	95.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.2	157.9	0	0	0	0	0	108.1	I308 A310 L312 L378 I402	I308-A362 HydrophobicContact CG2-CB 3.75Å; A310-A362 HydrophobicContact CB-CB 3.68Å; L312-A362 HydrophobicContact CD2-CB 3.78Å; A362-L378 CarbonylContact C-O 3.51Å; A362-L378 WeakPolarHBondContact CA-O 3.34Å; A362-I402 HydrophobicContact CB-CB 4.39Å; A362-I402 HydrophobicContact CB-CD1 3.98Å; A362-I402 HydrophobicContact CB-CG1 4.48Å; A362-I402 PolarHBondContact O-N 3.03Å
363	W	97.7	Very high	95.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	160.3	-171.3	-69.2	81.8	0	0	0	110.7	P315 M317 V337 S360 L378 Q400 P401	P315-W363 HydrophobicContact CB-CZ2 3.64Å; P315-W363 HydrophobicContact CG-CZ2 4.29Å; M317-W363 HydrophobicContact CB-CD2 4.06Å; M317-W363 HydrophobicContact CB-CG 4.31Å; M317-W363 HydrophobicContact CB-CZ2 4.05Å; M317-W363 HydrophobicContact CE-CD2 4.12Å; M317-W363 HydrophobicContact CE-CE3 3.9Å; M317-W363 HydrophobicContact CE-CG 4.46Å; M317-W363 HydrophobicContact CE-CZ3 4.41Å; M317-W363 HydrophobicContact SD-CB 4.14Å; M317-W363 HydrophobicContact SD-CD2 4.27Å; M317-W363 HydrophobicContact SD-CG 4.06Å; V337-W363 HydrophobicContact CB-CH2 4.14Å; V337-W363 HydrophobicContact CB-CZ3 4.34Å; V337-W363 HydrophobicContact CG1-CH2 3.71Å; V337-W363 HydrophobicContact CG1-CZ3 3.65Å; V337-W363 VanDerWaalsContact O-CH2 3.31Å; V337-W363 WeakPolarHBondContact O-CH2 3.13Å; V337-W363 VanDerWaalsContact O-CZ2 3.25Å; V337-W363 WeakPolarHBondContact O-CZ2 3.46Å; S360-W363 PolarHBondContact O-NE1 2.83Å; W363-L378 HydrophobicContact CB-CB 4.22Å; W363-L378 PolarHBondContact N-O 3.02Å; W363-L378 PolarHBondContact O-N 2.86Å; W363-Q400 CarbonylContact C-O 3.54Å; W363-Q400 WeakPolarHBondContact CA-O 3.42Å; W363-P401 HydrophobicContact CD2-CB 4.2Å; W363-P401 HydrophobicContact CE3-CB 4.07Å; W363-P401 HydrophobicContact CH2-CB 4.11Å; W363-P401 HydrophobicContact CH2-CG 4.36Å; W363-P401 HydrophobicContact CZ2-CB 4.27Å; W363-P401 HydrophobicContact CZ3-CB 4.03Å; W363-P401 HydrophobicContact CZ3-CG 4.22Å
364	I	97.8	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.8	170.6	-44.5	170.4	0	0	0	107.4	P212 L283 Y366 Q375 Y376 V399 Q400 I402	P212-I364 HydrophobicContact CB-CD1 4.48Å; P212-I364 HydrophobicContact CG-CD1 3.71Å; L283-I364 HydrophobicContact CB-CD1 4.25Å; L283-I364 HydrophobicContact CD1-CD1 3.94Å; L283-I364 HydrophobicContact CD1-CG1 4.48Å; L283-I364 HydrophobicContact CD2-CD1 3.44Å; L283-I364 VanDerWaalsContact CD2-CD1 3.44Å; L283-I364 HydrophobicContact CG-CD1 4.07Å; I364-Y366 HydrophobicContact CB-CE2 3.71Å; I364-Y366 WeakPolarHBondContact CD1-OH 3.43Å; I364-Y366 HydrophobicContact CG2-CD2 4.27Å; I364-Y366 HydrophobicContact CG2-CE1 4.05Å; I364-Y366 HydrophobicContact CG2-CE2 3.53Å; I364-Y366 WeakPolarHBondContact CG2-OH 3.43Å; I364-Q375 HydrophobicContact CG2-CB 4.04Å; I364-Y376 WeakPolarHBondContact CA-O 3.5Å; I364-V399 CarbonylContact O-C 3.56Å; I364-V399 VanDerWaalsContact O-CA 3.23Å; I364-V399 WeakPolarHBondContact O-CA 3.35Å; I364-Q400 HydrophobicContact CB-CG 4.42Å; I364-Q400 HydrophobicContact CD1-CG 4.42Å; I364-Q400 PolarHBondContact N-O 3.22Å; I364-Q400 PolarHBondContact O-N 3.33Å; I364-I402 HydrophobicContact CD1-CD1 4.38Å; I364-I402 HydrophobicContact CD1-CG1 4.11Å; I364-I402 HydrophobicContact CG1-CD1 4.13Å; I364-I402 HydrophobicContact CG1-CG1 3.99Å
365	A	98.1	Very high	95.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	146.6	167.8	0	0	0	0	0	110.2	Q375 Y376 L378 V396 V399	A365-Q375 CarbonylContact O-C 3.49Å; A365-Y376 HydrophobicContact CB-CD2 4.29Å; A365-Y376 PolarHBondContact N-O 3.33Å; A365-Y376 WeakPolarHBondContact O-CD2 3.46Å; A365-Y376 PolarHBondContact O-N 3.43Å; A365-L378 HydrophobicContact CB-CD1 3.95Å; A365-V396 HydrophobicContact CB-CG1 3.82Å; A365-V396 HydrophobicContact CB-CG2 4.3Å; A365-V399 HydrophobicContact CB-CG1 4.01Å
366	Y	97.6	Very high	95.6	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.016	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.9	-177.1	-65.5	-91.1	0	0	0	111	I364 H368 F371 S372 N374 Q375 V396 C397 S398 Q400	I364-Y366 HydrophobicContact CB-CE2 3.71Å; I364-Y366 WeakPolarHBondContact CD1-OH 3.43Å; I364-Y366 HydrophobicContact CG2-CD2 4.27Å; I364-Y366 HydrophobicContact CG2-CE1 4.05Å; I364-Y366 HydrophobicContact CG2-CE2 3.53Å; I364-Y366 WeakPolarHBondContact CG2-OH 3.43Å; Y366-H368 PolarHBondContact O-N 3.27Å; Y366-F371 HydrophobicContact CD1-CB 4.37Å; Y366-F371 VanDerWaalsContact CD1-O 3.22Å; Y366-F371 WeakPolarHBondContact CD1-O 3.37Å; Y366-F371 HydrophobicContact CD2-CB 4.08Å; Y366-F371 HydrophobicContact CD2-CD1 4.02Å; Y366-F371 HydrophobicContact CE1-CB 4.16Å; Y366-F371 WeakPolarHBondContact CE1-O 3.25Å; Y366-F371 HydrophobicContact CE2-CB 3.9Å; Y366-F371 HydrophobicContact CE2-CD1 4Å; Y366-F371 HydrophobicContact CE2-CG 4.39Å; Y366-F371 HydrophobicContact CG-CB 4.33Å; Y366-S372 WeakPolarHBondContact CB-O 3.26Å; Y366-N374 WeakPolarHBondContact CA-O 3.07Å; Y366-Q375 HydrophobicContact CD1-CG 4.14Å; Y366-Q375 HydrophobicContact CE1-CB 4.4Å; Y366-Q375 HydrophobicContact CE1-CG 3.69Å; Y366-V396 WeakPolarHBondContact O-CA 3.46Å; Y366-C397 PolarHBondContact O-N 2.73Å; Y366-S398 VanDerWaalsContact CB-OG 3.31Å; Y366-S398 WeakPolarHBondContact CB-OG 3.42Å; Y366-S398 PolarHBondContact N-O 2.96Å; Y366-Q400 HydrophobicContact CE2-CG 3.95Å; Y366-Q400 VanDerWaalsContact CZ-NE2 3.33Å; Y366-Q400 PolarHBondContact OH-NE2 3.19Å
367	S	96.7	Very high	95.5	Very high	7 Å²	7	17.9 Å²	17.9	5%	0.049	10%	0.095	C	C	.	.	S	Bend	trans	-71.3	-13.4	178.8	64.3	0	0	0	0	114.2	N374 R395 C397	S367-N374 PolarHBondContact N-O 3.08Å; S367-N374 VanDerWaalsContact N-O 3.15Å; S367-N374 PolarHBondContact OG-N 2.93Å; S367-R395 WeakPolarHBondContact O-CD 3.39Å; S367-R395 WeakPolarHBondContact O-CG 3.5Å; S367-C397 PolarHBondContact O-SG 3.47Å
368	H	96.4	Very high	95.5	Very high	28 Å²	28	14.7 Å²	14.7	13%	0.13	8%	0.08	C	C	.	.	S	Bend	trans	-134.4	168.2	-179.9	-63.9	72.9	0	0	0	111.4	E17 Y366 S372 S398	E17-H368 PolarHBondContact O-CD2 3.34Å; E17-H368 IonicContact OE1-NE2 3.79Å; Y366-H368 PolarHBondContact O-N 3.27Å; H368-S372 WeakPolarHBondContact CB-O 3.39Å; H368-S372 VanDerWaalsContact CB-OG 3.28Å; H368-S372 WeakPolarHBondContact CB-OG 3.24Å; H368-S372 PolarHBondContact N-O 2.61Å; H368-S398 PolarHBondContact O-OG 3Å
369	V	94.9	Very high	95.4	Very high	7 Å²	7	16.8 Å²	16.8	4%	0.042	9%	0.09	C	C	.	.	S	Bend	trans	-66.3	165.9	178.6	-62.1	0	0	0	0	111.2	K16 P342 D343 F371 S372 C397	K16-V369 HydrophobicContact CB-CG1 4.45Å; K16-V369 HydrophobicContact CB-CG2 3.67Å; K16-V369 HydrophobicContact CG-CG2 4.41Å; P342-V369 CarbonylContact O-C 3.55Å; P342-V369 WeakPolarHBondContact O-CA 3.45Å; D343-V369 HydrophobicContact CB-CG1 4.09Å; V369-F371 PolarHBondContact O-N 2.97Å; V369-S372 WeakPolarHBondContact O-CB 3.28Å; V369-S372 PolarHBondContact O-N 2.76Å; V369-S372 PolarHBondContact O-OG 2.87Å; V369-C397 HydrophobicContact CG1-CB 4.06Å
370	D	92.9	Very high	95.6	Very high	44 Å²	44	21.1 Å²	21.1	24%	0.235	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.9	176.1	-56.7	-56.7	0	0	0	113	H18 Y122 V124 P342 S372	H18-D370 IonicContact CD2-OD2 3.16Å; H18-D370 IonicContact CE1-OD2 3.2Å; H18-D370 IonicContact NE2-OD2 3.49Å; H18-D370 PolarHBondContact NE2-OD2 2.64Å; Y122-D370 VanDerWaalsContact CB-O 3.23Å; Y122-D370 WeakPolarHBondContact CB-O 3.38Å; V124-D370 HydrophobicContact CG2-CB 3.88Å; V124-D370 WeakPolarHBondContact CG2-OD2 3.44Å; P342-D370 PolarHBondContact O-N 3.38Å; D370-S372 PolarHBondContact O-N 3.27Å
371	F	95.1	Very high	95.8	Very high	23 Å²	23	20.8 Å²	20.8	10%	0.101	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	33.9	176.1	-40.1	-61.6	0	0	0	113.6	N22 Y122 A340 I341 P342 Y366 V369 S398 V399 Q400	N22-F371 PolarHBondContact ND2-O 2.68Å; Y122-F371 HydrophobicContact CD1-CB 4.41Å; Y122-F371 AromaticContact CD1-CD2 3.54Å; Y122-F371 HydrophobicContact CD1-CD2 3.54Å; Y122-F371 HydrophobicContact CD1-CE2 4.31Å; Y122-F371 HydrophobicContact CD1-CG 4.39Å; Y122-F371 HydrophobicContact CD2-CB 3.7Å; Y122-F371 HydrophobicContact CD2-CD2 4.37Å; Y122-F371 HydrophobicContact CD2-CG 4.47Å; Y122-F371 AromaticContact CE1-CD2 3.85Å; Y122-F371 HydrophobicContact CE1-CD2 3.85Å; Y122-F371 HydrophobicContact CE1-CE2 4.44Å; Y122-F371 HydrophobicContact CE2-CB 4.11Å; Y122-F371 HydrophobicContact CG-CB 3.87Å; Y122-F371 AromaticContact CG-CD2 3.82Å; Y122-F371 HydrophobicContact CG-CD2 3.82Å; Y122-F371 HydrophobicContact CG-CG 4.32Å; A340-F371 HydrophobicContact CB-CE1 4.28Å; A340-F371 HydrophobicContact CB-CZ 3.89Å; I341-F371 WeakPolarHBondContact O-CE1 3.3Å; P342-F371 HydrophobicContact CB-CE2 4.16Å; P342-F371 HydrophobicContact CB-CZ 3.92Å; Y366-F371 HydrophobicContact CD1-CB 4.37Å; Y366-F371 VanDerWaalsContact CD1-O 3.22Å; Y366-F371 WeakPolarHBondContact CD1-O 3.37Å; Y366-F371 HydrophobicContact CD2-CB 4.08Å; Y366-F371 HydrophobicContact CD2-CD1 4.02Å; Y366-F371 HydrophobicContact CE1-CB 4.16Å; Y366-F371 WeakPolarHBondContact CE1-O 3.25Å; Y366-F371 HydrophobicContact CE2-CB 3.9Å; Y366-F371 HydrophobicContact CE2-CD1 4Å; Y366-F371 HydrophobicContact CE2-CG 4.39Å; Y366-F371 HydrophobicContact CG-CB 4.33Å; V369-F371 PolarHBondContact O-N 2.97Å; F371-S398 VanDerWaalsContact CA-OG 3.32Å; F371-S398 WeakPolarHBondContact CA-OG 3.44Å; F371-S398 PolarHBondContact N-OG 3.06Å; F371-V399 WeakPolarHBondContact CE1-O 3.37Å; F371-Q400 HydrophobicContact CD1-CB 4.1Å; F371-Q400 HydrophobicContact CD1-CG 4.33Å; F371-Q400 HydrophobicContact CE1-CB 3.88Å
372	S	95	Very high	96.1	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.028	13%	0.126	C	C	.	.			trans	-108.5	165.3	-177.8	72.7	0	0	0	0	112.9	G19 Y366 H368 V369 D370	G19-S372 PolarHBondContact N-OG 2.96Å; Y366-S372 WeakPolarHBondContact CB-O 3.26Å; H368-S372 WeakPolarHBondContact CB-O 3.39Å; H368-S372 VanDerWaalsContact CB-OG 3.28Å; H368-S372 WeakPolarHBondContact CB-OG 3.24Å; H368-S372 PolarHBondContact N-O 2.61Å; V369-S372 WeakPolarHBondContact O-CB 3.28Å; V369-S372 PolarHBondContact O-N 2.76Å; V369-S372 PolarHBondContact O-OG 2.87Å; D370-S372 PolarHBondContact O-N 3.27Å
373	G	95.1	Very high	96.2	Very high	3 Å²	3	27 Å²	27	3%	0.031	13%	0.133	C	C	.	.	S	Bend	trans	86.2	-149.4	-177.8	0	0	0	0	0	113.4	K20 N22	K20-G373 PolarHBondContact O-N 3.26Å; N22-G373 PolarHBondContact ND2-O 3.37Å; N22-G373 VanDerWaalsContact ND2-O 3.13Å; N22-G373 PolarHBondContact OD1-O 2.82Å
374	N	95.9	Very high	96.1	Very high	53 Å²	53	31.5 Å²	31.5	28%	0.283	16%	0.157	S	C	.	.			trans	-74.9	139.5	-179.1	-68.7	-27.7	0	0	0	110.1	H280 Y366 S367 Y376	H280-N374 PolarHBondContact CD2-OD1 3.42Å; Y366-N374 WeakPolarHBondContact CA-O 3.07Å; S367-N374 PolarHBondContact N-O 3.08Å; S367-N374 VanDerWaalsContact N-O 3.15Å; S367-N374 PolarHBondContact OG-N 2.93Å; N374-Y376 HydrophobicContact CB-CE1 4.26Å; N374-Y376 HydrophobicContact CB-CE2 4.22Å
375	Q	96.8	Very high	96	Very high	11 Å²	11	34.8 Å²	34.8	5%	0.051	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.2	178.2	-50.1	179.9	46.1	0	0	109.7	N22 Q281 I364 A365 Y366 I377	N22-Q375 VanDerWaalsContact CG-NE2 3.3Å; N22-Q375 PolarHBondContact OD1-NE2 2.99Å; Q281-Q375 WeakPolarHBondContact CB-O 3.27Å; I364-Q375 HydrophobicContact CG2-CB 4.04Å; A365-Q375 CarbonylContact O-C 3.49Å; Y366-Q375 HydrophobicContact CD1-CG 4.14Å; Y366-Q375 HydrophobicContact CE1-CB 4.4Å; Y366-Q375 HydrophobicContact CE1-CG 3.69Å; Q375-I377 HydrophobicContact CB-CD1 4.25Å
376	Y	97.4	Very high	95.9	Very high	13 Å²	13	36 Å²	36	5%	0.051	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	110.8	174.4	-47.3	-74.2	0	0	0	108.5	I364 A365 N374 W389 S391	I364-Y376 WeakPolarHBondContact CA-O 3.5Å; A365-Y376 HydrophobicContact CB-CD2 4.29Å; A365-Y376 PolarHBondContact N-O 3.33Å; A365-Y376 WeakPolarHBondContact O-CD2 3.46Å; A365-Y376 PolarHBondContact O-N 3.43Å; N374-Y376 HydrophobicContact CB-CE1 4.26Å; N374-Y376 HydrophobicContact CB-CE2 4.22Å; Y376-W389 AromaticContact CD1-CD1 3.87Å; Y376-W389 AromaticContact CG-CD1 3.74Å; Y376-S391 PolarHBondContact OH-OG 2.87Å
377	I	97.4	Very high	95.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.1	-177.1	-68.7	71.5	0	0	0	108.6	V270 Q281 L283 I308 Q375	V270-I377 HydrophobicContact CG1-CB 4.38Å; V270-I377 HydrophobicContact CG1-CD1 3.82Å; V270-I377 HydrophobicContact CG1-CG1 4.09Å; V270-I377 HydrophobicContact CG2-CB 3.8Å; V270-I377 HydrophobicContact CG2-CD1 4.44Å; V270-I377 HydrophobicContact CG2-CG1 3.79Å; V270-I377 HydrophobicContact CG2-CG2 3.64Å; Q281-I377 HydrophobicContact CB-CD1 3.73Å; Q281-I377 VanDerWaalsContact OE1-N 3.12Å; L283-I377 HydrophobicContact CD1-CG1 4.2Å; I308-I377 HydrophobicContact CD1-CG2 3.89Å; I308-I377 HydrophobicContact CG1-CG2 4.07Å; Q375-I377 HydrophobicContact CB-CD1 4.25Å
378	L	97.4	Very high	95.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121	-175.1	-50.2	172.5	0	0	0	109.4	M317 I356 V358 A362 W363 A365 Y383 W389	M317-L378 HydrophobicContact SD-CD1 3.84Å; I356-L378 HydrophobicContact CD1-CD1 3.82Å; I356-L378 HydrophobicContact CG2-CD1 4.08Å; V358-L378 HydrophobicContact CG2-CB 3.78Å; A362-L378 CarbonylContact C-O 3.51Å; A362-L378 WeakPolarHBondContact CA-O 3.34Å; W363-L378 HydrophobicContact CB-CB 4.22Å; W363-L378 PolarHBondContact N-O 3.02Å; W363-L378 PolarHBondContact O-N 2.86Å; A365-L378 HydrophobicContact CB-CD1 3.95Å; L378-Y383 WeakPolarHBondContact CA-OH 3.44Å; L378-Y383 HydrophobicContact CB-CE2 4.09Å; L378-Y383 HydrophobicContact CD2-CD1 4.28Å; L378-Y383 HydrophobicContact CD2-CD2 4.3Å; L378-Y383 HydrophobicContact CD2-CE1 4.05Å; L378-Y383 HydrophobicContact CD2-CE2 4.07Å; L378-Y383 HydrophobicContact CD2-CG 4.42Å; L378-W389 HydrophobicContact CD2-CB 3.42Å; L378-W389 VanDerWaalsContact CD2-CB 3.42Å; L378-W389 HydrophobicContact CD2-CG 4.32Å
379	E	95.1	Very high	95.7	Very high	44 Å²	44	40.7 Å²	40.7	21%	0.206	22%	0.217	C	C	.	.			trans	-102.2	171.3	170.7	-72.6	174.4	113.8	0	0	109.4	R306 I308 R309 V358 G381 Y383	R306-E379 IonicContact CZ-OE2 3.89Å; R306-E379 VanDerWaalsContact CZ-OE2 3.3Å; R306-E379 VanDerWaalsContact NH1-CD 3.33Å; R306-E379 IonicContact NH1-OE1 3.47Å; R306-E379 IonicContact NH1-OE2 2.73Å; R306-E379 PolarHBondContact NH1-OE2 3.13Å; R306-E379 IonicContact NH2-OE2 3.26Å; R306-E379 PolarHBondContact NH2-OE2 3.13Å; I308-E379 WeakPolarHBondContact CA-OE1 3.27Å; I308-E379 HydrophobicContact CG2-CG 4.03Å; R309-E379 PolarHBondContact N-OE1 2.92Å; V358-E379 WeakPolarHBondContact CB-O 3.25Å; E379-G381 PolarHBondContact O-N 3.34Å; E379-Y383 PolarHBondContact N-OH 2.91Å; E379-Y383 WeakPolarHBondContact O-CE2 3.21Å; E379-Y383 PolarHBondContact O-OH 3.21Å
380	K	94.3	Very high	95.5	Very high	161 Å²	161	42.6 Å²	42.6	70%	0.7	24%	0.238	S	C	*	.	S	Bend	trans	-48.9	126.1	178	-175.7	174.3	-177.8	165.7	0	112.1	L359	L359-K380 VanDerWaalsContact O-CE 3.24Å; L359-K380 WeakPolarHBondContact O-CE 3.32Å
381	G	94.9	Very high	95.6	Very high	27 Å²	27	41 Å²	41	28%	0.278	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	151.6	172.1	-178.9	0	0	0	0	0	113.5	V358 E379	V358-G381 PolarHBondContact N-O 3.31Å; V358-G381 PolarHBondContact O-N 3.11Å; E379-G381 PolarHBondContact O-N 3.34Å
382	F	97.1	Very high	95.5	Very high	98 Å²	98	49.5 Å²	49.5	43%	0.43	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121	175	-169.8	-108.1	0	0	0	110.3	F320 H357 N384	F320-F382 HydrophobicContact CE2-CE2 4.24Å; H357-F382 HydrophobicContact CB-CD2 3.71Å; H357-F382 HydrophobicContact CB-CE2 4.15Å; H357-F382 AromaticContact CG-CD2 3.83Å; F382-N384 WeakPolarHBondContact CD1-OD1 3.45Å; F382-N384 HydrophobicContact CE1-CB 4.25Å; F382-N384 WeakPolarHBondContact CE1-OD1 3.13Å
383	Y	97.6	Very high	95.4	Very high	36 Å²	36	52.6 Å²	52.6	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	108.7	175	-59.9	-97.4	0	0	0	108.8	S355 I356 V358 L378 E379 D388 W389	S355-Y383 CarbonylContact C-O 3.6Å; S355-Y383 WeakPolarHBondContact CA-O 3.41Å; S355-Y383 WeakPolarHBondContact CB-O 3.41Å; I356-Y383 PolarHBondContact N-O 2.62Å; I356-Y383 PolarHBondContact O-N 3.18Å; V358-Y383 HydrophobicContact CG2-CE2 4.09Å; L378-Y383 WeakPolarHBondContact CA-OH 3.44Å; L378-Y383 HydrophobicContact CB-CE2 4.09Å; L378-Y383 HydrophobicContact CD2-CD1 4.28Å; L378-Y383 HydrophobicContact CD2-CD2 4.3Å; L378-Y383 HydrophobicContact CD2-CE1 4.05Å; L378-Y383 HydrophobicContact CD2-CE2 4.07Å; L378-Y383 HydrophobicContact CD2-CG 4.42Å; E379-Y383 PolarHBondContact N-OH 2.91Å; E379-Y383 WeakPolarHBondContact O-CE2 3.21Å; E379-Y383 PolarHBondContact O-OH 3.21Å; Y383-D388 HydrophobicContact CD1-CB 3.88Å; Y383-D388 WeakPolarHBondContact CD1-O 3.46Å; Y383-D388 HydrophobicContact CG-CB 4.44Å; Y383-W389 HydrophobicContact CD1-CB 4.08Å; Y383-W389 HydrophobicContact CE1-CB 4.45Å; Y383-W389 HydrophobicContact CG-CE3 4.49Å
384	N	95.5	Very high	95.3	Very high	94 Å²	94	54.4 Å²	54.4	50%	0.503	30%	0.297	S	S	.	.			trans	-76.1	-25.9	-169.4	-56.5	-89.9	0	0	0	113.5	F382 D388	F382-N384 WeakPolarHBondContact CD1-OD1 3.45Å; F382-N384 HydrophobicContact CE1-CB 4.25Å; F382-N384 WeakPolarHBondContact CE1-OD1 3.13Å; N384-D388 WeakPolarHBondContact CA-OD2 3.24Å; N384-D388 WeakPolarHBondContact CB-OD2 3.38Å; N384-D388 PolarHBondContact N-OD2 2.71Å; N384-D388 PolarHBondContact ND2-OD2 3.04Å
385	N	95.1	Very high	95.4	Very high	70 Å²	70	55.7 Å²	55.7	37%	0.374	30%	0.298	S	S	.	.	S	Bend	trans	-162.2	173	-174.4	68.4	78.7	0	0	0	111.1	R354 A387 D388 W389	R354-N385 WeakPolarHBondContact O-CA 3.35Å; N385-A387 VanDerWaalsContact C-N 3.28Å; N385-A387 PolarHBondContact O-N 2.84Å; N385-A387 WeakPolarHBondContact OD1-CA 3.49Å; N385-A387 VanDerWaalsContact OD1-CB 3.23Å; N385-A387 WeakPolarHBondContact OD1-CB 3.5Å; N385-A387 PolarHBondContact OD1-N 3.35Å; N385-D388 PolarHBondContact ND2-OD1 2.64Å; N385-D388 WeakPolarHBondContact O-CB 3.39Å; N385-D388 PolarHBondContact O-N 2.93Å; N385-W389 VanDerWaalsContact C-CH2 3.45Å; N385-W389 WeakPolarHBondContact O-CZ3 3.47Å
386	C	95.4	Very high	95.4	Very high	24 Å²	24	55.1 Å²	55.1	16%	0.162	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.8	-174	65.4	0	0	0	0	116.7	D388 W389 G390 S391 D393 T394	C386-D388 VanDerWaalsContact C-N 3.29Å; C386-D388 PolarHBondContact O-N 3.46Å; C386-W389 HydrophobicContact CB-CH2 4.1Å; C386-W389 HydrophobicContact CB-CZ2 3.51Å; C386-W389 PolarHBondContact O-N 3Å; C386-G390 PolarHBondContact O-N 2.71Å; C386-S391 CarbonylContact C-O 3.39Å; C386-S391 WeakPolarHBondContact O-CA 3.18Å; C386-S391 WeakPolarHBondContact O-CB 3.36Å; C386-S391 PolarHBondContact O-N 3.21Å; C386-S391 VanDerWaalsContact O-O 3.12Å; C386-D393 WeakPolarHBondContact CB-O 3.41Å; C386-T394 HydrophobicContact CB-CG2 4.16Å
387	A	95.1	Very high	95.3	Very high	66 Å²	66	55 Å²	55	55%	0.545	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.8	175.2	0	0	0	0	0	112	N385 W389 G390	N385-A387 VanDerWaalsContact C-N 3.28Å; N385-A387 PolarHBondContact O-N 2.84Å; N385-A387 WeakPolarHBondContact OD1-CA 3.49Å; N385-A387 VanDerWaalsContact OD1-CB 3.23Å; N385-A387 WeakPolarHBondContact OD1-CB 3.5Å; N385-A387 PolarHBondContact OD1-N 3.35Å; A387-W389 VanDerWaalsContact C-N 3.28Å; A387-W389 PolarHBondContact O-N 2.98Å; A387-G390 PolarHBondContact O-N 2.94Å
388	D	96.1	Very high	95.3	Very high	69 Å²	69	54.9 Å²	54.9	37%	0.369	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-33.1	-179.2	-66.7	1.6	0	0	0	111.1	Y383 N384 N385 C386	Y383-D388 HydrophobicContact CD1-CB 3.88Å; Y383-D388 WeakPolarHBondContact CD1-O 3.46Å; Y383-D388 HydrophobicContact CG-CB 4.44Å; N384-D388 WeakPolarHBondContact CA-OD2 3.24Å; N384-D388 WeakPolarHBondContact CB-OD2 3.38Å; N384-D388 PolarHBondContact N-OD2 2.71Å; N384-D388 PolarHBondContact ND2-OD2 3.04Å; N385-D388 PolarHBondContact ND2-OD1 2.64Å; N385-D388 WeakPolarHBondContact O-CB 3.39Å; N385-D388 PolarHBondContact O-N 2.93Å; C386-D388 VanDerWaalsContact C-N 3.29Å; C386-D388 PolarHBondContact O-N 3.46Å
389	W	95.1	Very high	95.4	Very high	3 Å²	3	54.9 Å²	54.9	1%	0.011	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	10.2	172.6	60.4	86.1	0	0	0	114	Q281 T353 I356 Y376 L378 Y383 N385 C386 A387	Q281-W389 PolarHBondContact NE2-O 2.97Å; T353-W389 HydrophobicContact CG2-CH2 4.27Å; I356-W389 HydrophobicContact CD1-CD2 4.41Å; I356-W389 HydrophobicContact CD1-CE3 4.27Å; I356-W389 HydrophobicContact CD1-CZ3 4.36Å; I356-W389 HydrophobicContact CG1-CE3 4.49Å; I356-W389 HydrophobicContact CG1-CZ3 4.22Å; Y376-W389 AromaticContact CD1-CD1 3.87Å; Y376-W389 AromaticContact CG-CD1 3.74Å; L378-W389 HydrophobicContact CD2-CB 3.42Å; L378-W389 VanDerWaalsContact CD2-CB 3.42Å; L378-W389 HydrophobicContact CD2-CG 4.32Å; Y383-W389 HydrophobicContact CD1-CB 4.08Å; Y383-W389 HydrophobicContact CE1-CB 4.45Å; Y383-W389 HydrophobicContact CG-CE3 4.49Å; N385-W389 VanDerWaalsContact C-CH2 3.45Å; N385-W389 WeakPolarHBondContact O-CZ3 3.47Å; C386-W389 HydrophobicContact CB-CH2 4.1Å; C386-W389 HydrophobicContact CB-CZ2 3.51Å; C386-W389 PolarHBondContact O-N 3Å; A387-W389 VanDerWaalsContact C-N 3.28Å; A387-W389 PolarHBondContact O-N 2.98Å
390	G	92.5	Very high	95.5	Very high	47 Å²	47	52.8 Å²	52.8	49%	0.485	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	23.4	174.7	0	0	0	0	0	114.7	C386 A387	C386-G390 PolarHBondContact O-N 2.71Å; A387-G390 PolarHBondContact O-N 2.94Å
391	S	93.9	Very high	95.6	Very high	10 Å²	10	45.3 Å²	45.3	7%	0.07	25%	0.254	C	S	.	.			trans	-102	160.8	172.8	-168.1	0	0	0	0	111.8	Y376 C386 D393	Y376-S391 PolarHBondContact OH-OG 2.87Å; C386-S391 CarbonylContact C-O 3.39Å; C386-S391 WeakPolarHBondContact O-CA 3.18Å; C386-S391 WeakPolarHBondContact O-CB 3.36Å; C386-S391 PolarHBondContact O-N 3.21Å; C386-S391 VanDerWaalsContact O-O 3.12Å; S391-D393 VanDerWaalsContact CB-O 3.31Å; S391-D393 WeakPolarHBondContact CB-O 3.3Å; S391-D393 PolarHBondContact OG-N 2.99Å; S391-D393 PolarHBondContact OG-O 2.97Å
392	Q	92.4	Very high	95.6	Very high	203 Å²	203	44 Å²	44	95%	0.949	24%	0.241	S	C	*	.	S	Bend	trans	-104.5	-6.3	165.6	-63.3	-178.7	1.8	0	0	112.1
393	D	92.9	Very high	95.2	Very high	69 Å²	69	40.8 Å²	40.8	37%	0.369	23%	0.228	S	C	.	.	S	Bend	trans	-121.9	140.6	-178.8	-170.8	-12.3	0	0	0	108.8	C386 S391 R395	C386-D393 WeakPolarHBondContact CB-O 3.41Å; S391-D393 VanDerWaalsContact CB-O 3.31Å; S391-D393 WeakPolarHBondContact CB-O 3.3Å; S391-D393 PolarHBondContact OG-N 2.99Å; S391-D393 PolarHBondContact OG-O 2.97Å; D393-R395 HydrophobicContact CB-CB 4.49Å; D393-R395 PolarHBondContact O-N 2.6Å; D393-R395 WeakPolarHBondContact OD1-CB 3.38Å; D393-R395 PolarHBondContact OD1-N 2.96Å; D393-R395 WeakPolarHBondContact OD2-CB 3.37Å; D393-R395 IonicContact OD2-NE 2.66Å; D393-R395 PolarHBondContact OD2-NE 2.74Å; D393-R395 IonicContact OD2-NH2 3.44Å
394	T	94.8	Very high	94.6	Very high	40 Å²	40	40.9 Å²	40.9	25%	0.245	23%	0.233	C	C	.	.			trans	-75.9	-5.9	174.3	55.8	0	0	0	0	112.7	S352 T353 C386 V396	S352-T394 PolarHBondContact OG-OG1 2.75Å; T353-T394 PolarHBondContact N-O 3.44Å; T353-T394 WeakPolarHBondContact O-CB 3.3Å; C386-T394 HydrophobicContact CB-CG2 4.16Å; T394-V396 PolarHBondContact O-N 2.96Å
395	R	96	Very high	93.8	Very high	80 Å²	80	37.7 Å²	37.7	30%	0.302	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-62.8	117.3	-179.2	-166.8	-173.4	-55.2	-159.8	-5.4	113.1	E17 T351 S367 D393	E17-R395 IonicContact OE2-NH1 3.93Å; E17-R395 PolarHBondContact OE2-NH1 2.65Å; T351-R395 CarbonylContact O-C 3.53Å; T351-R395 VanDerWaalsContact O-CA 3.27Å; T351-R395 WeakPolarHBondContact O-CA 3.41Å; S367-R395 WeakPolarHBondContact O-CD 3.39Å; S367-R395 WeakPolarHBondContact O-CG 3.5Å; D393-R395 HydrophobicContact CB-CB 4.49Å; D393-R395 PolarHBondContact O-N 2.6Å; D393-R395 WeakPolarHBondContact OD1-CB 3.38Å; D393-R395 PolarHBondContact OD1-N 2.96Å; D393-R395 WeakPolarHBondContact OD2-CB 3.37Å; D393-R395 IonicContact OD2-NE 2.66Å; D393-R395 PolarHBondContact OD2-NE 2.74Å; D393-R395 IonicContact OD2-NH2 3.44Å
396	V	97.1	Very high	92.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.			trans	-133.8	119.3	167.1	179.3	0	0	0	0	107.9	M319 T351 A365 Y366 T394 V399	M319-V396 HydrophobicContact CE-CB 4Å; M319-V396 HydrophobicContact CE-CG1 3.61Å; T351-V396 WeakPolarHBondContact CA-O 3.44Å; T351-V396 PolarHBondContact O-N 3.38Å; A365-V396 HydrophobicContact CB-CG1 3.82Å; A365-V396 HydrophobicContact CB-CG2 4.3Å; Y366-V396 WeakPolarHBondContact O-CA 3.46Å; T394-V396 PolarHBondContact O-N 2.96Å; V396-V399 HydrophobicContact CG1-CG1 3.7Å
397	C	96.9	Very high	90.3	Very high	11 Å²	11	42.4 Å²	42.4	7%	0.074	24%	0.236	C	C	.	.			trans	-115.1	-21.7	-173.9	-63.1	0	0	0	0	113.1	D343 V344 T351 Y366 S367 V369	D343-C397 WeakPolarHBondContact CA-O 3.34Å; V344-C397 PolarHBondContact N-O 2.79Å; T351-C397 HydrophobicContact CG2-CB 4.38Å; T351-C397 WeakPolarHBondContact CG2-SG 3.48Å; Y366-C397 PolarHBondContact O-N 2.73Å; S367-C397 PolarHBondContact O-SG 3.47Å; V369-C397 HydrophobicContact CG1-CB 4.06Å
398	S	97.4	Very high	87.9	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.8	174.5	62.4	0	0	0	0	110.7	I341 P342 Y366 H368 F371	I341-S398 CarbonylContact O-C 3.54Å; I341-S398 WeakPolarHBondContact O-CA 3.49Å; I341-S398 WeakPolarHBondContact O-CB 3.43Å; P342-S398 VanDerWaalsContact O-CB 3.27Å; P342-S398 WeakPolarHBondContact O-CB 3.28Å; Y366-S398 VanDerWaalsContact CB-OG 3.31Å; Y366-S398 WeakPolarHBondContact CB-OG 3.42Å; Y366-S398 PolarHBondContact N-O 2.96Å; H368-S398 PolarHBondContact O-OG 3Å; F371-S398 VanDerWaalsContact CA-OG 3.32Å; F371-S398 WeakPolarHBondContact CA-OG 3.44Å; F371-S398 PolarHBondContact N-OG 3.06Å
399	V	98.1	Very high	85.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144.8	-178.2	-63.6	0	0	0	0	110.4	M317 M319 V337 A340 I341 I364 A365 F371 V396	M317-V399 HydrophobicContact CE-CB 3.99Å; M317-V399 HydrophobicContact CE-CG1 3.93Å; M317-V399 HydrophobicContact CE-CG2 4.05Å; M319-V399 HydrophobicContact CE-CG1 4.29Å; M319-V399 HydrophobicContact SD-CG1 3.84Å; M319-V399 HydrophobicContact SD-CG2 4.36Å; V337-V399 HydrophobicContact CG1-CG2 3.87Å; V337-V399 HydrophobicContact CG2-CG2 4.5Å; A340-V399 CarbonylContact C-O 3.5Å; A340-V399 WeakPolarHBondContact CA-O 3.42Å; I341-V399 HydrophobicContact CB-CG2 3.84Å; I341-V399 HydrophobicContact CG1-CG2 3.97Å; I341-V399 PolarHBondContact N-O 2.82Å; I341-V399 PolarHBondContact O-N 3.26Å; I364-V399 CarbonylContact O-C 3.56Å; I364-V399 VanDerWaalsContact O-CA 3.23Å; I364-V399 WeakPolarHBondContact O-CA 3.35Å; A365-V399 HydrophobicContact CB-CG1 4.01Å; F371-V399 WeakPolarHBondContact CE1-O 3.37Å; V396-V399 HydrophobicContact CG1-CG1 3.7Å
400	Q	96.7	Very high	82.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145.6	171.9	72.9	-169.4	-41.6	0	0	112.9	Y122 P212 A340 W363 I364 Y366 F371	Y122-Q400 PolarHBondContact OH-NE2 3.46Å; Y122-Q400 PolarHBondContact OH-OE1 3.36Å; Y122-Q400 VanDerWaalsContact OH-OE1 3.07Å; P212-Q400 VanDerWaalsContact CD-CD 3.43Å; P212-Q400 VanDerWaalsContact CD-OE1 3.24Å; P212-Q400 HydrophobicContact CG-CG 4.25Å; A340-Q400 HydrophobicContact CB-CB 3.78Å; W363-Q400 CarbonylContact C-O 3.54Å; W363-Q400 WeakPolarHBondContact CA-O 3.42Å; I364-Q400 HydrophobicContact CB-CG 4.42Å; I364-Q400 HydrophobicContact CD1-CG 4.42Å; I364-Q400 PolarHBondContact N-O 3.22Å; I364-Q400 PolarHBondContact O-N 3.33Å; Y366-Q400 HydrophobicContact CE2-CG 3.95Å; Y366-Q400 VanDerWaalsContact CZ-NE2 3.33Å; Y366-Q400 PolarHBondContact OH-NE2 3.19Å; F371-Q400 HydrophobicContact CD1-CB 4.1Å; F371-Q400 HydrophobicContact CD1-CG 4.33Å; F371-Q400 HydrophobicContact CE1-CB 3.88Å
401	P	96.8	Very high	81	Confident	3 Å²	3	55 Å²	55	2%	0.019	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	155	174.5	32.2	-34	0	0	0	111.1	P315 W363 L403	P315-P401 HydrophobicContact CB-CB 3.7Å; P315-P401 HydrophobicContact CG-CB 3.54Å; P315-P401 HydrophobicContact CG-CG 4.14Å; W363-P401 HydrophobicContact CD2-CB 4.2Å; W363-P401 HydrophobicContact CE3-CB 4.07Å; W363-P401 HydrophobicContact CH2-CB 4.11Å; W363-P401 HydrophobicContact CH2-CG 4.36Å; W363-P401 HydrophobicContact CZ2-CB 4.27Å; W363-P401 HydrophobicContact CZ3-CB 4.03Å; W363-P401 HydrophobicContact CZ3-CG 4.22Å; P401-L403 HydrophobicContact CB-CD2 4.03Å; P401-L403 HydrophobicContact CG-CD2 4Å; P401-L403 HydrophobicContact CG-CG 4.28Å
402	I	94.7	Very high	79.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.5	164.6	-57	176	0	0	0	107.2	P212 V214 I268 L283 I308 L312 A362 I364	P212-I402 HydrophobicContact CB-CB 4.46Å; P212-I402 HydrophobicContact CB-CG1 4.2Å; P212-I402 HydrophobicContact CB-CG2 4.29Å; V214-I402 HydrophobicContact CG2-CG2 3.83Å; I268-I402 HydrophobicContact CD1-CD1 4.25Å; I268-I402 HydrophobicContact CD1-CG2 3.54Å; L283-I402 HydrophobicContact CD1-CD1 3.69Å; I308-I402 HydrophobicContact CD1-CD1 3.89Å; L312-I402 HydrophobicContact CD1-CG2 3.86Å; L312-I402 HydrophobicContact CD2-CB 4.12Å; L312-I402 HydrophobicContact CD2-CG2 4.08Å; A362-I402 HydrophobicContact CB-CB 4.39Å; A362-I402 HydrophobicContact CB-CD1 3.98Å; A362-I402 HydrophobicContact CB-CG1 4.48Å; A362-I402 PolarHBondContact O-N 3.03Å; I364-I402 HydrophobicContact CD1-CD1 4.38Å; I364-I402 HydrophobicContact CD1-CG1 4.11Å; I364-I402 HydrophobicContact CG1-CD1 4.13Å; I364-I402 HydrophobicContact CG1-CG1 3.99Å
403	L	90.1	Very high	78.3	Confident	30 Å²	30	50.6 Å²	50.6	16%	0.157	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	152.2	-173.5	-60	179.9	0	0	0	111.6	E211 P212 R213 V214 P315 P401	E211-L403 HydrophobicContact CB-CD1 3.97Å; E211-L403 HydrophobicContact CB-CG 4.38Å; E211-L403 HydrophobicContact CG-CD1 4.09Å; P212-L403 PolarHBondContact O-N 3.46Å; R213-L403 CarbonylContact C-O 3.59Å; R213-L403 VanDerWaalsContact CA-O 3.25Å; R213-L403 WeakPolarHBondContact CA-O 3.38Å; R213-L403 HydrophobicContact CG-CB 4.33Å; V214-L403 PolarHBondContact N-O 2.89Å; P315-L403 HydrophobicContact CG-CD2 3.97Å; P401-L403 HydrophobicContact CB-CD2 4.03Å; P401-L403 HydrophobicContact CG-CD2 4Å; P401-L403 HydrophobicContact CG-CG 4.28Å
404	P	84.8	Confident	77.9	Confident	39 Å²	39	48.8 Å²	48.8	25%	0.253	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147.6	164.8	30.8	-32.5	0	0	0	110	L312 N406	L312-P404 WeakPolarHBondContact O-CD 3.46Å; P404-N406 PolarHBondContact O-N 2.63Å
405	Q	78	Confident	77.6	Confident	27 Å²	27	48.4 Å²	48.4	13%	0.126	26%	0.263	C	S	.	.			trans	-72.2	119.7	167.5	-174.4	66.6	39	0	0	108.8	R213 V214 E215 H407	R213-Q405 VanDerWaalsContact CB-OE1 3.31Å; R213-Q405 VanDerWaalsContact CD-OE1 3.24Å; V214-Q405 PolarHBondContact O-N 3.24Å; E215-Q405 HydrophobicContact CB-CB 4.32Å; E215-Q405 HydrophobicContact CG-CB 3.61Å; E215-Q405 HydrophobicContact CG-CG 3.75Å; Q405-H407 PolarHBondContact O-N 3.01Å
406	N	63.3	Low	77.4	Confident	118 Å²	118	44.6 Å²	44.6	63%	0.631	25%	0.249	S	C	*	.			trans	-69.2	95.4	174	-75.6	-16.4	0	0	0	110	P404 G408	P404-N406 PolarHBondContact O-N 2.63Å; N406-G408 VanDerWaalsContact C-N 3.31Å; N406-G408 PolarHBondContact O-N 2.83Å; N406-G408 VanDerWaalsContact O-N 3.15Å
407	H	53.1	Low	77.1	Confident	75 Å²	75	44.6 Å²	44.6	35%	0.347	25%	0.249	S	C	.	.			trans	-80.6	84.3	163.7	-62.4	-55.8	0	0	0	107.7	E215 Q405 A409 K410	E215-H407 IonicContact OE1-CE1 3.36Å; Q405-H407 PolarHBondContact O-N 3.01Å; H407-A409 PolarHBondContact O-N 3.5Å; H407-A409 VanDerWaalsContact O-N 3.16Å; H407-K410 PolarHBondContact O-N 3.46Å
408	G	46	Very low	76.9	Confident	58 Å²	58	44.1 Å²	44.1	60%	0.598	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-24.6	115.4	-175.6	0	0	0	0	0	114.2	N406 K410	N406-G408 VanDerWaalsContact C-N 3.31Å; N406-G408 PolarHBondContact O-N 2.83Å; N406-G408 VanDerWaalsContact O-N 3.15Å; G408-K410 PolarHBondContact O-N 2.92Å
409	A	38.3	Very low	76.6	Confident	81 Å²	81	45.2 Å²	45.2	67%	0.669	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	35	36.2	175.4	0	0	0	0	0	117.1	H407 Y411	H407-A409 PolarHBondContact O-N 3.5Å; H407-A409 VanDerWaalsContact O-N 3.16Å; A409-Y411 PolarHBondContact O-N 2.82Å
410	K	46.8	Very low	76.2	Confident	172 Å²	172	46.4 Å²	46.4	75%	0.748	26%	0.258	S	S	*	.			trans	-81.4	101.8	163.5	-78	-170.7	179.2	-178.8	0	107.5	H407 G408 L412	H407-K410 PolarHBondContact O-N 3.46Å; G408-K410 PolarHBondContact O-N 2.92Å; K410-L412 PolarHBondContact O-N 2.71Å
411	Y	52	Low	75.9	Confident	139 Å²	139	51.2 Å²	51.2	55%	0.545	28%	0.281	S	S	.	.			trans	-39.2	129.6	179.2	-55.8	-73.7	0	0	0	111.8	A409 V413 Q717	A409-Y411 PolarHBondContact O-N 2.82Å; Y411-V413 WeakPolarHBondContact O-CG2 3.33Å; Y411-V413 PolarHBondContact O-N 2.78Å; Y411-Q717 HydrophobicContact CE1-CB 4.16Å; Y411-Q717 HydrophobicContact CE1-CG 4.01Å
412	L	61.6	Low	75.6	Confident	41 Å²	41	53.7 Å²	53.7	22%	0.215	30%	0.296	C	S	.	.			trans	-64.4	93.9	176.5	-64.9	-170.7	0	0	0	110.3	K410 R451 L718 L719	K410-L412 PolarHBondContact O-N 2.71Å; L412-R451 VanDerWaalsContact CD2-CZ 3.49Å; L412-L718 HydrophobicContact CB-CB 4.43Å; L412-L718 HydrophobicContact CD1-CB 4.48Å; L412-L719 WeakPolarHBondContact CD1-O 3.44Å
413	V	69.9	Low	75	Confident	79 Å²	79	56.3 Å²	56.3	48%	0.479	31%	0.311	S	S	.	.			trans	-77	133.2	178.5	-167.8	0	0	0	0	109.8	Y411 H432	Y411-V413 WeakPolarHBondContact O-CG2 3.33Å; Y411-V413 PolarHBondContact O-N 2.78Å; V413-H432 HydrophobicContact CG1-CB 3.95Å
414	S	83.4	Confident	74.9	Confident	31 Å²	31	55.6 Å²	55.6	22%	0.217	31%	0.306	C	S	.	.			trans	-54.4	142.4	169	-56.7	0	0	0	0	110.3	H432 R451	S414-H432 WeakPolarHBondContact O-CA 3.46Å; S414-H432 PolarHBondContact O-ND1 3.05Å; S414-H432 VanDerWaalsContact O-ND1 3.15Å; S414-R451 WeakPolarHBondContact CA-O 3.39Å
415	K	87.8	Confident	74.7	Confident	31 Å²	31	57.8 Å²	57.8	14%	0.135	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	133.1	-175.9	-179.7	-178.1	177.7	-171.2	0	111.4	E219 V430 F431 V450 R451	E219-K415 WeakPolarHBondContact OE1-CE 3.38Å; E219-K415 IonicContact OE1-NZ 3.78Å; E219-K415 PolarHBondContact OE1-NZ 2.85Å; K415-V430 HydrophobicContact CD-CG1 4.4Å; K415-V430 HydrophobicContact CG-CG1 4.18Å; K415-F431 WeakPolarHBondContact CA-O 3.18Å; K415-V450 HydrophobicContact CB-CB 3.94Å; K415-V450 HydrophobicContact CB-CG1 4.21Å; K415-V450 HydrophobicContact CD-CB 4.17Å; K415-V450 HydrophobicContact CD-CG1 4.18Å; K415-V450 HydrophobicContact CD-CG2 4.09Å; K415-V450 HydrophobicContact CG-CB 4.09Å; K415-V450 HydrophobicContact CG-CG2 4.19Å; K415-V450 WeakPolarHBondContact O-CB 3.23Å; K415-V450 PolarHBondContact O-N 2.91Å; K415-R451 PolarHBondContact N-O 2.88Å; K415-R451 PolarHBondContact O-N 2.81Å; K415-R451 VanDerWaalsContact O-N 3.13Å
416	I	92.1	Very high	75	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.1	168.1	-172.1	172.7	0	0	0	109.5	L418 F431 R448 V449 W454 L456 I491	I416-L418 HydrophobicContact CD1-CD2 3.86Å; I416-L418 HydrophobicContact CG1-CD2 4.03Å; I416-F431 HydrophobicContact CG2-CB 3.87Å; I416-F431 HydrophobicContact CG2-CD2 4.36Å; I416-F431 PolarHBondContact N-O 3.27Å; I416-F431 PolarHBondContact O-N 3.34Å; I416-R448 CarbonylContact C-O 3.4Å; I416-R448 WeakPolarHBondContact CA-O 3.16Å; I416-V449 HydrophobicContact CD1-CG2 3.87Å; I416-V449 HydrophobicContact CG1-CG2 4.04Å; I416-W454 HydrophobicContact CB-CD2 3.85Å; I416-W454 HydrophobicContact CB-CE3 4.36Å; I416-W454 HydrophobicContact CB-CG 4.06Å; I416-W454 HydrophobicContact CB-CZ2 4.28Å; I416-W454 HydrophobicContact CD1-CB 3.94Å; I416-W454 HydrophobicContact CD1-CD2 4.45Å; I416-W454 HydrophobicContact CD1-CG 4.09Å; I416-W454 HydrophobicContact CG2-CD2 3.58Å; I416-W454 HydrophobicContact CG2-CE3 3.58Å; I416-W454 HydrophobicContact CG2-CG 4.24Å; I416-W454 HydrophobicContact CG2-CH2 3.81Å; I416-W454 HydrophobicContact CG2-CZ2 3.84Å; I416-W454 HydrophobicContact CG2-CZ3 3.7Å; I416-L456 HydrophobicContact CD1-CD2 3.97Å; I416-I491 HydrophobicContact CG2-CD1 4.1Å
417	I	91.3	Very high	76.1	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.7	175.8	-46.6	175	0	0	0	108.2	E219 Y419 C428 L429 V430 C447 R448 V450	E219-I417 HydrophobicContact CG-CD1 3.71Å; E219-I417 VanDerWaalsContact OE1-CD1 3.29Å; E219-I417 WeakPolarHBondContact OE1-CD1 3.24Å; I417-Y419 HydrophobicContact CB-CE2 3.85Å; I417-Y419 HydrophobicContact CG2-CD2 4.2Å; I417-Y419 HydrophobicContact CG2-CE1 4.26Å; I417-Y419 HydrophobicContact CG2-CE2 3.49Å; I417-Y419 VanDerWaalsContact CG2-CE2 3.49Å; I417-C428 HydrophobicContact CG2-CB 3.98Å; I417-L429 CarbonylContact C-O 3.55Å; I417-L429 WeakPolarHBondContact CA-O 3.49Å; I417-V430 HydrophobicContact CG1-CG2 4.29Å; I417-V430 HydrophobicContact CG2-CG2 4.16Å; I417-C447 CarbonylContact O-C 3.49Å; I417-C447 WeakPolarHBondContact O-CA 3.48Å; I417-C447 VanDerWaalsContact O-CB 3.28Å; I417-C447 WeakPolarHBondContact O-CB 3.49Å; I417-R448 HydrophobicContact CB-CB 4.46Å; I417-R448 PolarHBondContact N-O 2.82Å; I417-R448 PolarHBondContact O-N 2.87Å; I417-V450 HydrophobicContact CD1-CG2 4.2Å; I417-V450 HydrophobicContact CG1-CG2 4.39Å
418	L	92.6	Very high	77.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.9	174.6	-52.8	-175.1	0	0	0	109.3	I416 C428 L429 F431 L438 F442 T444 C447 L456 I491	I416-L418 HydrophobicContact CD1-CD2 3.86Å; I416-L418 HydrophobicContact CG1-CD2 4.03Å; L418-C428 CarbonylContact O-C 3.56Å; L418-C428 WeakPolarHBondContact O-CA 3.13Å; L418-C428 WeakPolarHBondContact O-CB 3.38Å; L418-L429 PolarHBondContact N-O 2.83Å; L418-L429 PolarHBondContact O-N 2.92Å; L418-F431 HydrophobicContact CD1-CD2 4.38Å; L418-F431 HydrophobicContact CD1-CE2 3.83Å; L418-F431 HydrophobicContact CG-CD2 4.36Å; L418-F431 HydrophobicContact CG-CE2 4.11Å; L418-L438 HydrophobicContact CD1-CD1 4.1Å; L418-F442 HydrophobicContact CB-CE1 3.93Å; L418-F442 HydrophobicContact CB-CZ 4.42Å; L418-T444 HydrophobicContact CB-CG2 4.11Å; L418-T444 HydrophobicContact CD2-CG2 4.09Å; L418-T444 HydrophobicContact CG-CG2 4.47Å; L418-C447 HydrophobicContact CD2-CB 3.63Å; L418-L456 HydrophobicContact CD2-CD2 4.27Å; L418-I491 HydrophobicContact CD1-CG2 4.32Å
419	Y	91.6	Very high	79.9	Confident	23 Å²	23	60.2 Å²	60.2	9%	0.09	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143	-178.9	-66.1	-93.4	0	0	0	111	I417 E421 F424 E427 C428 T444 R445 S446 R448	I417-Y419 HydrophobicContact CB-CE2 3.85Å; I417-Y419 HydrophobicContact CG2-CD2 4.2Å; I417-Y419 HydrophobicContact CG2-CE1 4.26Å; I417-Y419 HydrophobicContact CG2-CE2 3.49Å; I417-Y419 VanDerWaalsContact CG2-CE2 3.49Å; Y419-E421 VanDerWaalsContact C-N 3.27Å; Y419-E421 PolarHBondContact O-N 2.8Å; Y419-F424 HydrophobicContact CD1-CB 4.17Å; Y419-F424 WeakPolarHBondContact CD1-O 3.26Å; Y419-F424 HydrophobicContact CD2-CB 4.11Å; Y419-F424 HydrophobicContact CD2-CD1 4.06Å; Y419-F424 HydrophobicContact CE1-CB 3.98Å; Y419-F424 VanDerWaalsContact CE1-O 3.32Å; Y419-F424 WeakPolarHBondContact CE1-O 3.48Å; Y419-F424 HydrophobicContact CE2-CB 3.93Å; Y419-F424 AromaticContact CE2-CD1 4Å; Y419-F424 HydrophobicContact CE2-CD1 4Å; Y419-F424 HydrophobicContact CE2-CG 4.43Å; Y419-F424 HydrophobicContact CG-CB 4.23Å; Y419-E427 WeakPolarHBondContact CA-O 3.46Å; Y419-C428 HydrophobicContact CD1-CB 3.74Å; Y419-C428 HydrophobicContact CE1-CB 3.79Å; Y419-C428 HydrophobicContact CG-CB 4.38Å; Y419-T444 WeakPolarHBondContact O-CA 3.35Å; Y419-R445 PolarHBondContact O-N 3.2Å; Y419-S446 WeakPolarHBondContact CB-OG 3.48Å; Y419-S446 PolarHBondContact N-O 2.91Å; Y419-S446 PolarHBondContact O-N 2.9Å; Y419-R448 HydrophobicContact CE2-CB 4.45Å; Y419-R448 HydrophobicContact CE2-CG 3.92Å
420	S	90.4	Very high	82.3	Confident	25 Å²	25	59.4 Å²	59.4	18%	0.175	32%	0.316	C	S	.	.	S	Bend	trans	-74.9	-17	-178.7	73	0	0	0	0	113.5	E427 L443 R445	S420-E427 PolarHBondContact N-O 3.22Å; S420-E427 PolarHBondContact OG-N 2.97Å; S420-L443 WeakPolarHBondContact CA-O 3.2Å; S420-R445 WeakPolarHBondContact O-CG 3.32Å
421	E	89.4	Confident	84.4	Confident	103 Å²	103	52.8 Å²	52.8	48%	0.481	29%	0.287	S	S	.	.	S	Bend	trans	-125.7	162.1	179.1	-64.4	-60.8	152.8	0	0	111.8	Y419 Q425 R445 S446	Y419-E421 VanDerWaalsContact C-N 3.27Å; Y419-E421 PolarHBondContact O-N 2.8Å; E421-Q425 HydrophobicContact CB-CB 3.97Å; E421-Q425 WeakPolarHBondContact CB-O 3.42Å; E421-Q425 PolarHBondContact N-O 2.83Å; E421-R445 VanDerWaalsContact C-CB 3.41Å; E421-S446 WeakPolarHBondContact O-CB 3.29Å; E421-S446 PolarHBondContact O-OG 2.82Å
422	P	90.1	Very high	86.1	Confident	54 Å²	54	49.8 Å²	49.8	35%	0.351	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-58.4	164.7	170	-22.9	34.8	0	0	0	112.6	F424 Q425 R445 P475	P422-F424 PolarHBondContact O-N 2.99Å; P422-F424 VanDerWaalsContact O-N 3.13Å; P422-Q425 PolarHBondContact O-N 2.89Å; P422-R445 HydrophobicContact CG-CB 4.36Å; P422-P475 WeakPolarHBondContact CA-O 3.2Å
423	D	83.3	Confident	87.5	Confident	56 Å²	56	54.4 Å²	54.4	30%	0.299	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	55.2	33.5	173.7	-57.4	-63.1	0	0	0	114	Q251 Q425 P475	Q251-D423 PolarHBondContact NE2-OD2 3.43Å; D423-Q425 VanDerWaalsContact C-N 3.34Å; D423-Q425 PolarHBondContact O-N 2.85Å; D423-Q425 PolarHBondContact O-NE2 3.5Å; D423-P475 PolarHBondContact N-O 2.85Å
424	F	87.3	Confident	88.7	Confident	15 Å²	15	53 Å²	53	7%	0.066	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	62.3	37.2	174.7	-34.8	-70.4	0	0	0	113.7	Y419 P422 S446 C447 R448 D473 P475	Y419-F424 HydrophobicContact CD1-CB 4.17Å; Y419-F424 WeakPolarHBondContact CD1-O 3.26Å; Y419-F424 HydrophobicContact CD2-CB 4.11Å; Y419-F424 HydrophobicContact CD2-CD1 4.06Å; Y419-F424 HydrophobicContact CE1-CB 3.98Å; Y419-F424 VanDerWaalsContact CE1-O 3.32Å; Y419-F424 WeakPolarHBondContact CE1-O 3.48Å; Y419-F424 HydrophobicContact CE2-CB 3.93Å; Y419-F424 AromaticContact CE2-CD1 4Å; Y419-F424 HydrophobicContact CE2-CD1 4Å; Y419-F424 HydrophobicContact CE2-CG 4.43Å; Y419-F424 HydrophobicContact CG-CB 4.23Å; P422-F424 PolarHBondContact O-N 2.99Å; P422-F424 VanDerWaalsContact O-N 3.13Å; F424-S446 WeakPolarHBondContact CA-OG 3.31Å; F424-S446 PolarHBondContact N-OG 3.26Å; F424-C447 WeakPolarHBondContact CE1-O 3.32Å; F424-R448 HydrophobicContact CD1-CG 3.46Å; F424-R448 VanDerWaalsContact CD1-CG 3.46Å; F424-R448 HydrophobicContact CE1-CG 3.61Å; F424-R448 HydrophobicContact CG-CG 4.2Å; F424-R448 VanDerWaalsContact CG-NE 3.26Å; F424-R448 HydrophobicContact CZ-CG 4.45Å; F424-D473 HydrophobicContact CE1-CB 4.21Å; F424-D473 HydrophobicContact CE2-CB 4.4Å; F424-D473 HydrophobicContact CZ-CB 3.64Å; F424-P475 HydrophobicContact CE2-CB 4.3Å; F424-P475 HydrophobicContact CZ-CB 4.01Å
425	Q	80.7	Confident	89.3	Confident	85 Å²	85	55.6 Å²	55.6	40%	0.397	30%	0.3	S	S	.	.			trans	-107.1	172.4	-179.9	-56.2	-55.6	-46.8	0	0	112.2	S238 E421 P422 D423	S238-Q425 PolarHBondContact OG-NE2 2.88Å; S238-Q425 VanDerWaalsContact OG-NE2 3.08Å; E421-Q425 HydrophobicContact CB-CB 3.97Å; E421-Q425 WeakPolarHBondContact CB-O 3.42Å; E421-Q425 PolarHBondContact N-O 2.83Å; P422-Q425 PolarHBondContact O-N 2.89Å; D423-Q425 VanDerWaalsContact C-N 3.34Å; D423-Q425 PolarHBondContact O-N 2.85Å; D423-Q425 PolarHBondContact O-NE2 3.5Å
426	G	84.9	Confident	89.6	Confident	58 Å²	58	55.2 Å²	55.2	60%	0.598	31%	0.306	S	S	*	.	S	Bend	trans	81.5	-155.2	175.8	0	0	0	0	0	114
427	E	86.2	Confident	89.7	Confident	144 Å²	144	57.6 Å²	57.6	67%	0.673	33%	0.325	S	S	*	.	S	Bend	trans	-70.5	145.7	173.6	-66.1	-173.7	169.6	0	0	109.9	Y419 S420 F442	Y419-E427 WeakPolarHBondContact CA-O 3.46Å; S420-E427 PolarHBondContact N-O 3.22Å; S420-E427 PolarHBondContact OG-N 2.97Å; E427-F442 HydrophobicContact CB-CE2 4.02Å
428	C	89.5	Confident	89.7	Confident	67 Å²	67	58.5 Å²	58.5	45%	0.453	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.8	177	70.7	0	0	0	0	113	I417 L418 Y419	I417-C428 HydrophobicContact CG2-CB 3.98Å; L418-C428 CarbonylContact O-C 3.56Å; L418-C428 WeakPolarHBondContact O-CA 3.13Å; L418-C428 WeakPolarHBondContact O-CB 3.38Å; Y419-C428 HydrophobicContact CD1-CB 3.74Å; Y419-C428 HydrophobicContact CE1-CB 3.79Å; Y419-C428 HydrophobicContact CG-CB 4.38Å
429	L	88.4	Confident	89.4	Confident	59 Å²	59	61.7 Å²	61.7	31%	0.309	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.2	174.1	-61.3	177.7	0	0	0	109.1	I417 L418 F431 F442	I417-L429 CarbonylContact C-O 3.55Å; I417-L429 WeakPolarHBondContact CA-O 3.49Å; L418-L429 PolarHBondContact N-O 2.83Å; L418-L429 PolarHBondContact O-N 2.92Å; L429-F431 HydrophobicContact CB-CD2 4.44Å; L429-F431 HydrophobicContact CB-CE2 3.49Å; L429-F431 VanDerWaalsContact CB-CE2 3.49Å; L429-F431 HydrophobicContact CB-CZ 3.75Å; L429-F431 HydrophobicContact CD1-CE2 4.4Å; L429-F431 HydrophobicContact CD1-CZ 4.11Å; L429-F442 HydrophobicContact CD1-CB 4.12Å; L429-F442 HydrophobicContact CD1-CD1 3.66Å; L429-F442 HydrophobicContact CD1-CD2 3.79Å; L429-F442 HydrophobicContact CD1-CE1 3.95Å; L429-F442 HydrophobicContact CD1-CE2 4.07Å; L429-F442 HydrophobicContact CD1-CG 3.57Å; L429-F442 HydrophobicContact CD1-CZ 4.14Å; L429-F442 HydrophobicContact CG-CD1 4.38Å; L429-F442 HydrophobicContact CG-CD2 3.99Å; L429-F442 HydrophobicContact CG-CE1 4.24Å; L429-F442 HydrophobicContact CG-CE2 3.82Å; L429-F442 HydrophobicContact CG-CG 4.25Å; L429-F442 HydrophobicContact CG-CZ 3.95Å
430	V	89.3	Confident	89.1	Confident	65 Å²	65	66.6 Å²	66.6	39%	0.394	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.8	-177.9	-176.9	0	0	0	0	109.5	K415 I417	K415-V430 HydrophobicContact CD-CG1 4.4Å; K415-V430 HydrophobicContact CG-CG1 4.18Å; I417-V430 HydrophobicContact CG1-CG2 4.29Å; I417-V430 HydrophobicContact CG2-CG2 4.16Å
431	F	90.2	Very high	88.9	Confident	33 Å²	33	74.6 Å²	74.6	15%	0.145	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.8	179.9	-56.9	-84.1	0	0	0	111.8	K415 I416 L418 L429 Q435 L438 W454 I491	K415-F431 WeakPolarHBondContact CA-O 3.18Å; I416-F431 HydrophobicContact CG2-CB 3.87Å; I416-F431 HydrophobicContact CG2-CD2 4.36Å; I416-F431 PolarHBondContact N-O 3.27Å; I416-F431 PolarHBondContact O-N 3.34Å; L418-F431 HydrophobicContact CD1-CD2 4.38Å; L418-F431 HydrophobicContact CD1-CE2 3.83Å; L418-F431 HydrophobicContact CG-CD2 4.36Å; L418-F431 HydrophobicContact CG-CE2 4.11Å; L429-F431 HydrophobicContact CB-CD2 4.44Å; L429-F431 HydrophobicContact CB-CE2 3.49Å; L429-F431 VanDerWaalsContact CB-CE2 3.49Å; L429-F431 HydrophobicContact CB-CZ 3.75Å; L429-F431 HydrophobicContact CD1-CE2 4.4Å; L429-F431 HydrophobicContact CD1-CZ 4.11Å; F431-Q435 HydrophobicContact CD1-CB 4.25Å; F431-Q435 HydrophobicContact CD1-CG 4.49Å; F431-Q435 HydrophobicContact CE1-CB 4.34Å; F431-Q435 HydrophobicContact CE1-CG 4.13Å; F431-L438 HydrophobicContact CE1-CD2 3.7Å; F431-L438 HydrophobicContact CE2-CD2 4.16Å; F431-L438 HydrophobicContact CZ-CD2 3.35Å; F431-W454 HydrophobicContact CB-CH2 4.27Å; F431-W454 HydrophobicContact CB-CZ3 4.44Å; F431-I491 HydrophobicContact CB-CD1 3.52Å; F431-I491 HydrophobicContact CD1-CD1 3.8Å; F431-I491 HydrophobicContact CD2-CD1 3.36Å; F431-I491 HydrophobicContact CE1-CD1 4.34Å; F431-I491 HydrophobicContact CE2-CD1 3.95Å; F431-I491 HydrophobicContact CG-CD1 3.27Å; F431-I491 HydrophobicContact CZ-CD1 4.41Å
432	H	88.9	Confident	88.8	Confident	76 Å²	76	70.8 Å²	70.8	35%	0.352	39%	0.389	S	S	.	.	S	Bend	trans	-118.3	-14.1	178.8	-65.8	-68.1	0	0	0	113.6	V413 S414	V413-H432 HydrophobicContact CG1-CB 3.95Å; S414-H432 WeakPolarHBondContact O-CA 3.46Å; S414-H432 PolarHBondContact O-ND1 3.05Å; S414-H432 VanDerWaalsContact O-ND1 3.15Å
433	H	90.8	Very high	88.9	Confident	137 Å²	137	72.8 Å²	72.8	63%	0.634	40%	0.396	S	S	*	.	S	Bend	trans	-139.7	166.2	-179.3	-42	96.7	0	0	0	109.5	W454	H433-W454 WeakPolarHBondContact O-CZ3 3.47Å
434	S	94.5	Very high	89.3	Confident	51 Å²	51	70.3 Å²	70.3	36%	0.357	38%	0.383	S	S	.	.			trans	-55.9	137.4	172.1	-56.3	0	0	0	0	111.5	I491 L493	S434-I491 CarbonylContact C-O 3.08Å; S434-I491 VanDerWaalsContact CA-O 3.29Å; S434-I491 WeakPolarHBondContact CA-O 3.47Å; S434-L493 PolarHBondContact OG-N 3.48Å
435	Q	95.9	Very high	89.6	Confident	84 Å²	84	74 Å²	74	39%	0.393	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-127.1	110.6	179.3	-177.2	63.6	26.9	0	0	109.4	F431 A437 L438 F462 S490 I491	F431-Q435 HydrophobicContact CD1-CB 4.25Å; F431-Q435 HydrophobicContact CD1-CG 4.49Å; F431-Q435 HydrophobicContact CE1-CB 4.34Å; F431-Q435 HydrophobicContact CE1-CG 4.13Å; Q435-A437 VanDerWaalsContact C-N 3.29Å; Q435-A437 WeakPolarHBondContact CG-O 3.37Å; Q435-A437 PolarHBondContact NE2-O 2.81Å; Q435-A437 PolarHBondContact O-N 2.79Å; Q435-L438 HydrophobicContact CB-CD2 4.27Å; Q435-L438 HydrophobicContact CG-CD2 3.66Å; Q435-F462 WeakPolarHBondContact O-CE1 3.46Å; Q435-S490 WeakPolarHBondContact O-CA 3.41Å; Q435-S490 VanDerWaalsContact O-CB 3.26Å; Q435-S490 WeakPolarHBondContact O-CB 3.39Å; Q435-I491 HydrophobicContact CB-CD1 4.2Å; Q435-I491 HydrophobicContact CB-CG1 3.72Å; Q435-I491 PolarHBondContact N-O 2.92Å; Q435-I491 PolarHBondContact O-N 2.9Å
436	G	93.8	Very high	90.2	Very high	24 Å²	24	69.9 Å²	69.9	25%	0.247	38%	0.378	C	S	.	.	S	Bend	trans	-75.1	-11.3	-174.3	0	0	0	0	0	115.2	Q461 S490	G436-Q461 PolarHBondContact O-N 2.99Å; G436-S490 WeakPolarHBondContact O-CB 3.29Å
437	A	94.3	Very high	90.6	Very high	49 Å²	49	67.1 Å²	67.1	41%	0.405	35%	0.349	S	S	.	.			trans	-151.1	125.6	174.3	0	0	0	0	0	110.6	Q435 K460 L489	Q435-A437 VanDerWaalsContact C-N 3.29Å; Q435-A437 WeakPolarHBondContact CG-O 3.37Å; Q435-A437 PolarHBondContact NE2-O 2.81Å; Q435-A437 PolarHBondContact O-N 2.79Å; A437-K460 HydrophobicContact CB-CD 4.26Å; A437-K460 HydrophobicContact CB-CG 4.29Å; A437-L489 CarbonylContact C-O 3.51Å; A437-L489 WeakPolarHBondContact CA-O 3.33Å
438	L	91.3	Very high	90.8	Very high	20 Å²	20	60.4 Å²	60.4	11%	0.105	32%	0.318	C	S	.	.			trans	-104	161	171.3	-62	178.8	0	0	0	110.7	L418 F431 Q435 E440 V488 L489 I491	L418-L438 HydrophobicContact CD1-CD1 4.1Å; F431-L438 HydrophobicContact CE1-CD2 3.7Å; F431-L438 HydrophobicContact CE2-CD2 4.16Å; F431-L438 HydrophobicContact CZ-CD2 3.35Å; Q435-L438 HydrophobicContact CB-CD2 4.27Å; Q435-L438 HydrophobicContact CG-CD2 3.66Å; L438-E440 PolarHBondContact O-N 2.8Å; L438-V488 HydrophobicContact CD1-CG1 4.06Å; L438-L489 PolarHBondContact N-O 2.95Å; L438-I491 HydrophobicContact CD1-CG2 4.02Å
439	S	86.3	Confident	90.8	Very high	67 Å²	67	57.5 Å²	57.5	47%	0.469	30%	0.298	S	S	.	.			trans	-68.6	125.2	175.6	178.7	0	0	0	0	110.3	K441 F442	S439-K441 PolarHBondContact O-N 3.08Å; S439-K441 VanDerWaalsContact O-N 3.09Å; S439-K441 PolarHBondContact OG-N 3.16Å; S439-F442 PolarHBondContact O-N 3.17Å; S439-F442 VanDerWaalsContact O-N 3.1Å
440	E	84.9	Confident	90.5	Very high	127 Å²	127	56.2 Å²	56.2	59%	0.593	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.7	175.5	-69.2	169.3	-154.7	0	0	113.2	L438 K460 L489	L438-E440 PolarHBondContact O-N 2.8Å; E440-K460 WeakPolarHBondContact OE1-CE 3.42Å; E440-K460 IonicContact OE1-NZ 3.81Å; E440-K460 PolarHBondContact OE1-NZ 2.68Å; E440-L489 HydrophobicContact CG-CD2 3.86Å
441	K	86.9	Confident	90.1	Very high	193 Å²	193	56.4 Å²	56.4	84%	0.839	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-23.4	176.8	-62.3	-178.1	178.7	179.6	0	113.1	S439	S439-K441 PolarHBondContact O-N 3.08Å; S439-K441 VanDerWaalsContact O-N 3.09Å; S439-K441 PolarHBondContact OG-N 3.16Å
442	F	87.9	Confident	89.8	Confident	23 Å²	23	55.7 Å²	55.7	10%	0.101	29%	0.288	C	S	.	.			trans	-92.3	115.3	-178.1	-174.1	-87.3	0	0	0	109.4	L418 E427 L429 S439	L418-F442 HydrophobicContact CB-CE1 3.93Å; L418-F442 HydrophobicContact CB-CZ 4.42Å; E427-F442 HydrophobicContact CB-CE2 4.02Å; L429-F442 HydrophobicContact CD1-CB 4.12Å; L429-F442 HydrophobicContact CD1-CD1 3.66Å; L429-F442 HydrophobicContact CD1-CD2 3.79Å; L429-F442 HydrophobicContact CD1-CE1 3.95Å; L429-F442 HydrophobicContact CD1-CE2 4.07Å; L429-F442 HydrophobicContact CD1-CG 3.57Å; L429-F442 HydrophobicContact CD1-CZ 4.14Å; L429-F442 HydrophobicContact CG-CD1 4.38Å; L429-F442 HydrophobicContact CG-CD2 3.99Å; L429-F442 HydrophobicContact CG-CE1 4.24Å; L429-F442 HydrophobicContact CG-CE2 3.82Å; L429-F442 HydrophobicContact CG-CG 4.25Å; L429-F442 HydrophobicContact CG-CZ 3.95Å; S439-F442 PolarHBondContact O-N 3.17Å; S439-F442 VanDerWaalsContact O-N 3.1Å
443	L	91	Very high	89.9	Confident	95 Å²	95	52.6 Å²	52.6	50%	0.497	28%	0.275	S	S	.	.			trans	-99.5	105.4	178.6	-63.6	178.7	0	0	0	109.6	S420 R445	S420-L443 WeakPolarHBondContact CA-O 3.2Å; L443-R445 PolarHBondContact O-N 2.74Å
444	T	93	Very high	90.1	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.025	25%	0.245	C	C	.	.			trans	-64	126.4	174.4	-56.1	0	0	0	0	110.2	L418 Y419 M480 V488	L418-T444 HydrophobicContact CB-CG2 4.11Å; L418-T444 HydrophobicContact CD2-CG2 4.09Å; L418-T444 HydrophobicContact CG-CG2 4.47Å; Y419-T444 WeakPolarHBondContact O-CA 3.35Å; T444-M480 HydrophobicContact CG2-CE 3.97Å; T444-V488 HydrophobicContact CG2-CG2 4.49Å
445	R	93.1	Very high	90.1	Very high	92 Å²	92	43.7 Å²	43.7	35%	0.347	23%	0.228	S	C	.	.			trans	-121.1	-24.3	177.3	-66	-60.3	-173.4	178.7	-1.3	113.5	Y419 S420 E421 P422 L443 N476 L477 S484	Y419-R445 PolarHBondContact O-N 3.2Å; S420-R445 WeakPolarHBondContact O-CG 3.32Å; E421-R445 VanDerWaalsContact C-CB 3.41Å; P422-R445 HydrophobicContact CG-CB 4.36Å; L443-R445 PolarHBondContact O-N 2.74Å; R445-N476 CarbonylContact O-C 3.59Å; R445-N476 VanDerWaalsContact O-CA 3.27Å; R445-N476 WeakPolarHBondContact O-CA 3.31Å; R445-L477 PolarHBondContact O-N 3.08Å; R445-S484 PolarHBondContact NH1-O 2.98Å
446	S	92.8	Very high	90.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162.7	170.5	64.1	0	0	0	0	110.1	Y419 E421 F424 Y474 P475	Y419-S446 WeakPolarHBondContact CB-OG 3.48Å; Y419-S446 PolarHBondContact N-O 2.91Å; Y419-S446 PolarHBondContact O-N 2.9Å; E421-S446 WeakPolarHBondContact O-CB 3.29Å; E421-S446 PolarHBondContact O-OG 2.82Å; F424-S446 WeakPolarHBondContact CA-OG 3.31Å; F424-S446 PolarHBondContact N-OG 3.26Å; S446-Y474 WeakPolarHBondContact CA-O 3.28Å; S446-Y474 VanDerWaalsContact CB-O 3.24Å; S446-Y474 WeakPolarHBondContact CB-O 3.2Å; S446-P475 VanDerWaalsContact CB-C 3.49Å; S446-P475 VanDerWaalsContact CB-O 3.28Å; S446-P475 WeakPolarHBondContact CB-O 3.38Å
447	C	93.4	Very high	90.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.9	176.4	67.3	0	0	0	0	113.3	I417 L418 F424 L469 Y474	I417-C447 CarbonylContact O-C 3.49Å; I417-C447 WeakPolarHBondContact O-CA 3.48Å; I417-C447 VanDerWaalsContact O-CB 3.28Å; I417-C447 WeakPolarHBondContact O-CB 3.49Å; L418-C447 HydrophobicContact CD2-CB 3.63Å; F424-C447 WeakPolarHBondContact CE1-O 3.32Å; C447-L469 WeakPolarHBondContact SG-CD1 3.47Å; C447-Y474 PolarHBondContact N-O 2.74Å; C447-Y474 WeakPolarHBondContact O-CA 3.37Å; C447-Y474 WeakPolarHBondContact O-CB 3.33Å; C447-Y474 PolarHBondContact O-N 3.32Å
448	R	90.7	Very high	90.1	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120	169.3	-62.3	-170.3	176	-179.7	-6.5	109.7	P220 S238 I416 I417 Y419 F424 V450 D473	P220-R448 VanDerWaalsContact CG-NH1 3.32Å; S238-R448 PolarHBondContact O-NH2 3.48Å; I416-R448 CarbonylContact C-O 3.4Å; I416-R448 WeakPolarHBondContact CA-O 3.16Å; I417-R448 HydrophobicContact CB-CB 4.46Å; I417-R448 PolarHBondContact N-O 2.82Å; I417-R448 PolarHBondContact O-N 2.87Å; Y419-R448 HydrophobicContact CE2-CB 4.45Å; Y419-R448 HydrophobicContact CE2-CG 3.92Å; F424-R448 HydrophobicContact CD1-CG 3.46Å; F424-R448 VanDerWaalsContact CD1-CG 3.46Å; F424-R448 HydrophobicContact CE1-CG 3.61Å; F424-R448 HydrophobicContact CG-CG 4.2Å; F424-R448 VanDerWaalsContact CG-NE 3.26Å; F424-R448 HydrophobicContact CZ-CG 4.45Å; R448-V450 PolarHBondContact O-N 3.47Å; R448-D473 VanDerWaalsContact CD-OD1 3.29Å; R448-D473 WeakPolarHBondContact CD-OD1 3.33Å; R448-D473 WeakPolarHBondContact CG-OD1 3.5Å; R448-D473 IonicContact NE-OD1 2.65Å; R448-D473 IonicContact NE-OD2 2.63Å
449	V	90.3	Very high	90.2	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	97.9	170.3	-177.2	0	0	0	0	107.1	I416 G452 W454 L469 S470 E471 E472 Y474	I416-V449 HydrophobicContact CD1-CG2 3.87Å; I416-V449 HydrophobicContact CG1-CG2 4.04Å; V449-G452 WeakPolarHBondContact CG1-O 3.44Å; V449-W454 HydrophobicContact CG1-CG 4.45Å; V449-L469 HydrophobicContact CG2-CB 3.79Å; V449-L469 HydrophobicContact CG2-CD1 4.29Å; V449-S470 WeakPolarHBondContact CB-O 3.26Å; V449-S470 WeakPolarHBondContact CG1-O 3.31Å; V449-E471 HydrophobicContact CG1-CG 4.39Å; V449-E471 CarbonylContact O-C 3.5Å; V449-E471 WeakPolarHBondContact O-CA 3.41Å; V449-E472 PolarHBondContact N-O 3.27Å; V449-E472 PolarHBondContact O-N 3.28Å; V449-Y474 HydrophobicContact CB-CE2 4.32Å; V449-Y474 HydrophobicContact CG2-CD2 4.17Å; V449-Y474 HydrophobicContact CG2-CE2 3.76Å
450	V	81.9	Confident	90.5	Very high	33 Å²	33	41.6 Å²	41.6	20%	0.2	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-43.9	-176.6	168.6	0	0	0	0	110.8	K415 I417 R448	K415-V450 HydrophobicContact CB-CB 3.94Å; K415-V450 HydrophobicContact CB-CG1 4.21Å; K415-V450 HydrophobicContact CD-CB 4.17Å; K415-V450 HydrophobicContact CD-CG1 4.18Å; K415-V450 HydrophobicContact CD-CG2 4.09Å; K415-V450 HydrophobicContact CG-CB 4.09Å; K415-V450 HydrophobicContact CG-CG2 4.19Å; K415-V450 WeakPolarHBondContact O-CB 3.23Å; K415-V450 PolarHBondContact O-N 2.91Å; I417-V450 HydrophobicContact CD1-CG2 4.2Å; I417-V450 HydrophobicContact CG1-CG2 4.39Å; R448-V450 PolarHBondContact O-N 3.47Å
451	R	80.4	Confident	90.9	Very high	68 Å²	68	43.4 Å²	43.4	26%	0.257	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	142	-177.9	-175.8	164.3	-71.8	141.5	-7.7	112.9	L412 S414 K415 W454 E471	L412-R451 VanDerWaalsContact CD2-CZ 3.49Å; S414-R451 WeakPolarHBondContact CA-O 3.39Å; K415-R451 PolarHBondContact N-O 2.88Å; K415-R451 PolarHBondContact O-N 2.81Å; K415-R451 VanDerWaalsContact O-N 3.13Å; R451-W454 PolarHBondContact O-NE1 2.98Å; R451-E471 WeakPolarHBondContact CA-OE1 3.25Å
452	G	84.4	Confident	91.2	Very high	18 Å²	18	37.4 Å²	37.4	19%	0.186	18%	0.179	C	C	.	.	S	Bend	trans	79.4	172.6	-174.9	0	0	0	0	0	112.2	V449 E471	V449-G452 WeakPolarHBondContact CG1-O 3.44Å; G452-E471 PolarHBondContact N-OE1 2.94Å; G452-E471 WeakPolarHBondContact O-CG 3.3Å
453	S	91.2	Very high	91.3	Very high	12 Å²	12	39 Å²	39	8%	0.084	19%	0.193	C	C	.	.			trans	-97.2	141.7	169.2	-53.9	0	0	0	0	109.3	L469 V494 V582	S453-L469 CarbonylContact C-O 3.5Å; S453-L469 VanDerWaalsContact CA-O 3.32Å; S453-L469 WeakPolarHBondContact CA-O 3.49Å; S453-V494 WeakPolarHBondContact O-CB 3.13Å; S453-V494 VanDerWaalsContact O-CG2 3.31Å; S453-V494 WeakPolarHBondContact O-CG2 3.17Å; S453-V494 PolarHBondContact O-N 2.87Å; S453-V582 WeakPolarHBondContact OG-CG1 3.5Å
454	W	94.2	Very high	91.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.9	-175.4	-70	77.4	0	0	0	110.6	I416 F431 H433 V449 R451 V468 L469 I491 K492 L493	I416-W454 HydrophobicContact CB-CD2 3.85Å; I416-W454 HydrophobicContact CB-CE3 4.36Å; I416-W454 HydrophobicContact CB-CG 4.06Å; I416-W454 HydrophobicContact CB-CZ2 4.28Å; I416-W454 HydrophobicContact CD1-CB 3.94Å; I416-W454 HydrophobicContact CD1-CD2 4.45Å; I416-W454 HydrophobicContact CD1-CG 4.09Å; I416-W454 HydrophobicContact CG2-CD2 3.58Å; I416-W454 HydrophobicContact CG2-CE3 3.58Å; I416-W454 HydrophobicContact CG2-CG 4.24Å; I416-W454 HydrophobicContact CG2-CH2 3.81Å; I416-W454 HydrophobicContact CG2-CZ2 3.84Å; I416-W454 HydrophobicContact CG2-CZ3 3.7Å; F431-W454 HydrophobicContact CB-CH2 4.27Å; F431-W454 HydrophobicContact CB-CZ3 4.44Å; H433-W454 WeakPolarHBondContact O-CZ3 3.47Å; V449-W454 HydrophobicContact CG1-CG 4.45Å; R451-W454 PolarHBondContact O-NE1 2.98Å; W454-V468 CarbonylContact O-C 3.55Å; W454-V468 WeakPolarHBondContact O-CA 3.4Å; W454-L469 PolarHBondContact N-O 2.83Å; W454-L469 PolarHBondContact O-N 3.34Å; W454-I491 HydrophobicContact CE3-CD1 4.4Å; W454-I491 HydrophobicContact CZ3-CD1 4.03Å; W454-K492 CarbonylContact C-O 3.5Å; W454-K492 WeakPolarHBondContact CA-O 3.33Å; W454-L493 HydrophobicContact CD2-CD1 4.06Å; W454-L493 HydrophobicContact CE3-CB 4.23Å; W454-L493 HydrophobicContact CH2-CB 4.26Å; W454-L493 HydrophobicContact CH2-CD1 4.41Å; W454-L493 HydrophobicContact CZ2-CD1 3.84Å; W454-L493 HydrophobicContact CZ3-CB 4.09Å
455	V	95.4	Very high	91.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.4	173.6	-169.1	0	0	0	0	108.6	M466 H467 V468 I491 K492 V494 L558	V455-M466 HydrophobicContact CG1-CB 3.64Å; V455-M466 HydrophobicContact CG1-CG 4Å; V455-M466 HydrophobicContact CG1-SD 4.29Å; V455-H467 WeakPolarHBondContact CA-O 3.28Å; V455-V468 HydrophobicContact CG1-CG2 4.44Å; V455-V468 HydrophobicContact CG2-CG2 4.18Å; V455-I491 CarbonylContact O-C 3.57Å; V455-I491 VanDerWaalsContact O-CA 3.24Å; V455-I491 WeakPolarHBondContact O-CA 3.49Å; V455-K492 HydrophobicContact CB-CB 4.16Å; V455-K492 HydrophobicContact CG2-CB 4.48Å; V455-K492 PolarHBondContact N-O 2.78Å; V455-K492 PolarHBondContact O-N 3.45Å; V455-V494 HydrophobicContact CG2-CG2 3.89Å; V455-L558 HydrophobicContact CG2-CB 4.3Å; V455-L558 HydrophobicContact CG2-CD2 3.39Å; V455-L558 HydrophobicContact CG2-CG 4.39Å
456	L	95.8	Very high	91.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.4	167	-51	-173.9	0	0	0	108.7	I416 L418 M466 H467 L469 M480 V488 I491	I416-L456 HydrophobicContact CD1-CD2 3.97Å; L418-L456 HydrophobicContact CD2-CD2 4.27Å; L456-M466 CarbonylContact O-C 3.55Å; L456-M466 WeakPolarHBondContact O-CA 3.4Å; L456-H467 HydrophobicContact CB-CB 4.38Å; L456-H467 PolarHBondContact N-O 3.17Å; L456-H467 PolarHBondContact O-N 2.85Å; L456-L469 HydrophobicContact CD1-CD1 3.53Å; L456-L469 HydrophobicContact CD2-CD1 4.35Å; L456-L469 HydrophobicContact CG-CD1 3.74Å; L456-L469 HydrophobicContact CG-CG 4.4Å; L456-M480 HydrophobicContact CD1-CE 3.09Å; L456-V488 HydrophobicContact CB-CG1 3.98Å; L456-V488 HydrophobicContact CB-CG2 4.34Å; L456-V488 HydrophobicContact CD1-CG1 4.49Å; L456-V488 HydrophobicContact CD1-CG2 4.22Å; L456-V488 HydrophobicContact CD2-CG1 4.16Å; L456-V488 HydrophobicContact CG-CG1 4.44Å; L456-I491 HydrophobicContact CD2-CB 4.42Å; L456-I491 HydrophobicContact CD2-CG2 3.42Å; L456-I491 VanDerWaalsContact CD2-CG2 3.42Å
457	C	94.9	Very high	91.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.6	-177.8	-64.3	0	0	0	0	110.3	N459 N465 L489 S490	C457-N459 VanDerWaalsContact C-N 3.29Å; C457-N459 PolarHBondContact O-N 2.8Å; C457-N465 WeakPolarHBondContact CA-O 3.4Å; C457-L489 PolarHBondContact O-N 2.96Å; C457-S490 VanDerWaalsContact CB-OG 3.29Å; C457-S490 WeakPolarHBondContact CB-OG 3.48Å; C457-S490 PolarHBondContact N-O 3.01Å; C457-S490 PolarHBondContact O-N 2.8Å
458	E	92.6	Very high	91.2	Very high	32 Å²	32	37.9 Å²	37.9	15%	0.15	20%	0.203	C	C	.	.	S	Bend	trans	-66.7	-30.4	-179.5	-77.7	-177.9	-178.9	0	0	113.3	N465 P487 L489	E458-N465 VanDerWaalsContact CD-ND2 3.28Å; E458-N465 HydrophobicContact CG-CB 4.08Å; E458-N465 PolarHBondContact N-O 2.83Å; E458-N465 VanDerWaalsContact N-O 3.07Å; E458-N465 PolarHBondContact OE1-ND2 2.87Å; E458-N465 PolarHBondContact OE2-ND2 3.08Å; E458-P487 CarbonylContact C-O 3.49Å; E458-P487 WeakPolarHBondContact CA-O 3.36Å; E458-L489 WeakPolarHBondContact O-CB 3.42Å; E458-L489 WeakPolarHBondContact O-CD1 3.46Å; E458-L489 VanDerWaalsContact O-CG 3.27Å; E458-L489 WeakPolarHBondContact O-CG 3.48Å
459	N	92.8	Very high	91.4	Very high	76 Å²	76	37.8 Å²	37.8	41%	0.406	20%	0.203	S	C	.	.	S	Bend	trans	-113.5	169.8	-179.4	-64.1	-37.1	0	0	0	111.8	C457 S463 G464 S490	C457-N459 VanDerWaalsContact C-N 3.29Å; C457-N459 PolarHBondContact O-N 2.8Å; N459-S463 WeakPolarHBondContact CB-O 3.5Å; N459-S463 WeakPolarHBondContact CB-OG 3.28Å; N459-S463 PolarHBondContact N-O 3.46Å; N459-G464 WeakPolarHBondContact ND2-CA 3.16Å; N459-S490 WeakPolarHBondContact O-CB 3.48Å; N459-S490 PolarHBondContact O-OG 2.84Å
460	K	93.4	Very high	91.3	Very high	90 Å²	90	40.1 Å²	40.1	39%	0.391	22%	0.219	S	C	.	.	S	Bend	trans	-66.8	162.5	171.8	-64.1	176.9	-174.3	165.1	0	110.3	A437 E440 F462 S463 L489	A437-K460 HydrophobicContact CB-CD 4.26Å; A437-K460 HydrophobicContact CB-CG 4.29Å; E440-K460 WeakPolarHBondContact OE1-CE 3.42Å; E440-K460 IonicContact OE1-NZ 3.81Å; E440-K460 PolarHBondContact OE1-NZ 2.68Å; K460-F462 VanDerWaalsContact C-N 3.26Å; K460-F462 PolarHBondContact O-N 2.75Å; K460-S463 PolarHBondContact O-N 2.81Å; K460-S463 PolarHBondContact O-OG 2.88Å; K460-L489 HydrophobicContact CG-CB 4.22Å
461	Q	93.8	Very high	91.6	Very high	165 Å²	165	40.1 Å²	40.1	77%	0.771	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	37	178.2	-57.8	-179.6	-11.6	0	0	113.5	G436 S463	G436-Q461 PolarHBondContact O-N 2.99Å; Q461-S463 VanDerWaalsContact C-N 3.26Å; Q461-S463 PolarHBondContact O-N 2.93Å
462	F	92.3	Very high	91.9	Very high	68 Å²	68	42.2 Å²	42.2	30%	0.298	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	34.8	175.4	-35.8	-60.8	0	0	0	113.5	Q435 K460 M466 S490 I491 K492	Q435-F462 WeakPolarHBondContact O-CE1 3.46Å; K460-F462 VanDerWaalsContact C-N 3.26Å; K460-F462 PolarHBondContact O-N 2.75Å; F462-M466 WeakPolarHBondContact O-CE 3.4Å; F462-S490 VanDerWaalsContact CA-OG 3.31Å; F462-S490 WeakPolarHBondContact CA-OG 3.23Å; F462-S490 PolarHBondContact N-OG 2.94Å; F462-I491 WeakPolarHBondContact CE1-O 3.34Å; F462-K492 HydrophobicContact CB-CD 4.48Å; F462-K492 HydrophobicContact CD1-CB 3.8Å; F462-K492 HydrophobicContact CD1-CG 4.43Å; F462-K492 HydrophobicContact CE1-CB 4.22Å; F462-K492 HydrophobicContact CG-CB 4.28Å; F462-K492 HydrophobicContact CG-CD 4.42Å
463	S	89.9	Confident	92.1	Very high	55 Å²	55	42.8 Å²	42.8	39%	0.385	23%	0.229	S	C	.	.			trans	-111.9	174.1	-179.2	68	0	0	0	0	111.9	N459 K460 Q461	N459-S463 WeakPolarHBondContact CB-O 3.5Å; N459-S463 WeakPolarHBondContact CB-OG 3.28Å; N459-S463 PolarHBondContact N-O 3.46Å; K460-S463 PolarHBondContact O-N 2.81Å; K460-S463 PolarHBondContact O-OG 2.88Å; Q461-S463 VanDerWaalsContact C-N 3.26Å; Q461-S463 PolarHBondContact O-N 2.93Å
464	G	89	Confident	92.2	Very high	40 Å²	40	43 Å²	43	41%	0.412	23%	0.228	S	C	.	.	S	Bend	trans	80.1	-163.1	-174.8	0	0	0	0	0	112.5	N459	N459-G464 WeakPolarHBondContact ND2-CA 3.16Å
465	N	90.3	Very high	91.9	Very high	54 Å²	54	44.8 Å²	44.8	29%	0.289	24%	0.239	S	C	.	.	S	Bend	trans	-66.5	143.9	176.6	-58.2	-37	0	0	0	110.2	C457 E458 R555	C457-N465 WeakPolarHBondContact CA-O 3.4Å; E458-N465 VanDerWaalsContact CD-ND2 3.28Å; E458-N465 HydrophobicContact CG-CB 4.08Å; E458-N465 PolarHBondContact N-O 2.83Å; E458-N465 VanDerWaalsContact N-O 3.07Å; E458-N465 PolarHBondContact OE1-ND2 2.87Å; E458-N465 PolarHBondContact OE2-ND2 3.08Å; N465-R555 WeakPolarHBondContact OD1-CD 3.35Å; N465-R555 WeakPolarHBondContact OD1-CG 3.25Å
466	M	94.3	Very high	91.8	Very high	39 Å²	39	47.8 Å²	47.8	19%	0.192	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.1	-180	-61.9	-176.5	-177.8	0	0	110.2	V455 L456 F462 Q556 L558	V455-M466 HydrophobicContact CG1-CB 3.64Å; V455-M466 HydrophobicContact CG1-CG 4Å; V455-M466 HydrophobicContact CG1-SD 4.29Å; L456-M466 CarbonylContact O-C 3.55Å; L456-M466 WeakPolarHBondContact O-CA 3.4Å; F462-M466 WeakPolarHBondContact O-CE 3.4Å; M466-Q556 WeakPolarHBondContact O-CB 3.27Å; M466-L558 HydrophobicContact SD-CB 4.22Å
467	H	94.6	Very high	91.6	Very high	15 Å²	15	48.4 Å²	48.4	7%	0.069	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	109.2	172.5	-57.2	-75.3	0	0	0	108.6	V455 L456 G481 C482	V455-H467 WeakPolarHBondContact CA-O 3.28Å; L456-H467 HydrophobicContact CB-CB 4.38Å; L456-H467 PolarHBondContact N-O 3.17Å; L456-H467 PolarHBondContact O-N 2.85Å; H467-G481 PolarHBondContact CE1-O 2.83Å; H467-G481 VanDerWaalsContact CE1-O 3.22Å; H467-G481 PolarHBondContact ND1-O 2.85Å; H467-C482 PolarHBondContact CD2-SG 3.33Å
468	V	94.1	Very high	91.5	Very high	20 Å²	20	54 Å²	54	12%	0.121	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126	-178	-173.4	0	0	0	0	109.6	W454 V455 V545 L558 V582	W454-V468 CarbonylContact O-C 3.55Å; W454-V468 WeakPolarHBondContact O-CA 3.4Å; V455-V468 HydrophobicContact CG1-CG2 4.44Å; V455-V468 HydrophobicContact CG2-CG2 4.18Å; V468-V545 HydrophobicContact CB-CG2 4.12Å; V468-V545 HydrophobicContact CG1-CG2 4.17Å; V468-V545 HydrophobicContact CG2-CG1 4.2Å; V468-V545 HydrophobicContact CG2-CG2 3.72Å; V468-L558 HydrophobicContact CG2-CB 4.23Å; V468-V582 HydrophobicContact CG1-CG2 4.25Å
469	L	93.2	Very high	91.5	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.6	-176.7	-55.6	-176.8	0	0	0	109.7	C447 V449 S453 W454 L456 Y474 M480	C447-L469 WeakPolarHBondContact SG-CD1 3.47Å; V449-L469 HydrophobicContact CG2-CB 3.79Å; V449-L469 HydrophobicContact CG2-CD1 4.29Å; S453-L469 CarbonylContact C-O 3.5Å; S453-L469 VanDerWaalsContact CA-O 3.32Å; S453-L469 WeakPolarHBondContact CA-O 3.49Å; W454-L469 PolarHBondContact N-O 2.83Å; W454-L469 PolarHBondContact O-N 3.34Å; L456-L469 HydrophobicContact CD1-CD1 3.53Å; L456-L469 HydrophobicContact CD2-CD1 4.35Å; L456-L469 HydrophobicContact CG-CD1 3.74Å; L456-L469 HydrophobicContact CG-CG 4.4Å; L469-Y474 HydrophobicContact CB-CE2 3.79Å; L469-Y474 HydrophobicContact CD1-CD2 4.25Å; L469-Y474 HydrophobicContact CD1-CE2 4.26Å; L469-Y474 HydrophobicContact CD2-CD1 4.29Å; L469-Y474 HydrophobicContact CD2-CE1 3.92Å; L469-Y474 HydrophobicContact CD2-CE2 4.16Å; L469-Y474 HydrophobicContact CG-CE2 4.3Å; L469-M480 HydrophobicContact CD2-CB 4.09Å
470	S	89.9	Confident	91.5	Very high	53 Å²	53	51.2 Å²	51.2	37%	0.371	28%	0.283	S	S	.	.			trans	-86.3	175.9	170.4	50.5	0	0	0	0	110.8	V449 E472 Y474	V449-S470 WeakPolarHBondContact CB-O 3.26Å; V449-S470 WeakPolarHBondContact CG1-O 3.31Å; S470-E472 VanDerWaalsContact C-N 3.35Å; S470-E472 PolarHBondContact O-N 3.22Å; S470-Y474 PolarHBondContact N-OH 3.06Å; S470-Y474 WeakPolarHBondContact O-CE2 3.39Å; S470-Y474 PolarHBondContact O-OH 3.03Å; S470-Y474 VanDerWaalsContact O-OH 3.09Å; S470-Y474 PolarHBondContact OG-OH 2.84Å
471	E	87.1	Confident	91.3	Very high	33 Å²	33	49.1 Å²	49.1	15%	0.154	29%	0.287	C	S	.	.	S	Bend	trans	-66	87.3	177.9	-65.9	-177.2	-177.7	0	0	113.1	V449 R451 G452 K585	V449-E471 HydrophobicContact CG1-CG 4.39Å; V449-E471 CarbonylContact O-C 3.5Å; V449-E471 WeakPolarHBondContact O-CA 3.41Å; R451-E471 WeakPolarHBondContact CA-OE1 3.25Å; G452-E471 PolarHBondContact N-OE1 2.94Å; G452-E471 WeakPolarHBondContact O-CG 3.3Å; E471-K585 VanDerWaalsContact OE2-CD 3.32Å; E471-K585 WeakPolarHBondContact OE2-CD 3.45Å; E471-K585 WeakPolarHBondContact OE2-CE 3.43Å; E471-K585 IonicContact OE2-NZ 2.87Å; E471-K585 PolarHBondContact OE2-NZ 3.33Å
472	E	86.9	Confident	91.1	Very high	112 Å²	112	41.7 Å²	41.7	52%	0.523	25%	0.253	S	S	.	.	S	Bend	trans	-151.5	173.4	179	-63.3	-169.3	173.9	0	0	112	V449 S470 Y474	V449-E472 PolarHBondContact N-O 3.27Å; V449-E472 PolarHBondContact O-N 3.28Å; S470-E472 VanDerWaalsContact C-N 3.35Å; S470-E472 PolarHBondContact O-N 3.22Å; E472-Y474 HydrophobicContact CB-CE1 4.47Å; E472-Y474 HydrophobicContact CB-CE2 3.92Å
473	D	88.4	Confident	90.9	Very high	31 Å²	31	41.3 Å²	41.3	17%	0.166	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.7	172.9	-87.6	-0.5	0	0	0	109.4	R309 F424 R448 P475	R309-D473 IonicContact CZ-OD2 2.72Å; R309-D473 IonicContact NE-OD2 2.63Å; R309-D473 VanDerWaalsContact NH2-CG 3.33Å; R309-D473 IonicContact NH2-OD2 3.3Å; R309-D473 PolarHBondContact NH2-OD2 3.26Å; F424-D473 HydrophobicContact CE1-CB 4.21Å; F424-D473 HydrophobicContact CE2-CB 4.4Å; F424-D473 HydrophobicContact CZ-CB 3.64Å; R448-D473 VanDerWaalsContact CD-OD1 3.29Å; R448-D473 WeakPolarHBondContact CD-OD1 3.33Å; R448-D473 WeakPolarHBondContact CG-OD1 3.5Å; R448-D473 IonicContact NE-OD1 2.65Å; R448-D473 IonicContact NE-OD2 2.63Å; D473-P475 VanDerWaalsContact O-CD 3.28Å; D473-P475 WeakPolarHBondContact O-CD 3.26Å
474	Y	92.5	Very high	90.5	Very high	17 Å²	17	43.8 Å²	43.8	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	93.2	-178.6	-59.1	-83.5	0	0	0	110.4	S446 C447 V449 L469 S470 E472 N476 S479 M480	S446-Y474 WeakPolarHBondContact CA-O 3.28Å; S446-Y474 VanDerWaalsContact CB-O 3.24Å; S446-Y474 WeakPolarHBondContact CB-O 3.2Å; C447-Y474 PolarHBondContact N-O 2.74Å; C447-Y474 WeakPolarHBondContact O-CA 3.37Å; C447-Y474 WeakPolarHBondContact O-CB 3.33Å; C447-Y474 PolarHBondContact O-N 3.32Å; V449-Y474 HydrophobicContact CB-CE2 4.32Å; V449-Y474 HydrophobicContact CG2-CD2 4.17Å; V449-Y474 HydrophobicContact CG2-CE2 3.76Å; L469-Y474 HydrophobicContact CB-CE2 3.79Å; L469-Y474 HydrophobicContact CD1-CD2 4.25Å; L469-Y474 HydrophobicContact CD1-CE2 4.26Å; L469-Y474 HydrophobicContact CD2-CD1 4.29Å; L469-Y474 HydrophobicContact CD2-CE1 3.92Å; L469-Y474 HydrophobicContact CD2-CE2 4.16Å; L469-Y474 HydrophobicContact CG-CE2 4.3Å; S470-Y474 PolarHBondContact N-OH 3.06Å; S470-Y474 WeakPolarHBondContact O-CE2 3.39Å; S470-Y474 PolarHBondContact O-OH 3.03Å; S470-Y474 VanDerWaalsContact O-OH 3.09Å; S470-Y474 PolarHBondContact OG-OH 2.84Å; E472-Y474 HydrophobicContact CB-CE1 4.47Å; E472-Y474 HydrophobicContact CB-CE2 3.92Å; Y474-N476 PolarHBondContact O-N 3.42Å; Y474-S479 VanDerWaalsContact C-OG 3.28Å; Y474-S479 VanDerWaalsContact CA-OG 3.32Å; Y474-S479 WeakPolarHBondContact CA-OG 3.49Å; Y474-S479 WeakPolarHBondContact CB-OG 3.23Å; Y474-S479 WeakPolarHBondContact CD1-O 3.35Å; Y474-M480 VanDerWaalsContact CB-CG 3.46Å; Y474-M480 HydrophobicContact CD1-CG 4.34Å; Y474-M480 HydrophobicContact CG-CG 4.02Å
475	P	89.1	Confident	90.1	Very high	37 Å²	37	46.5 Å²	46.5	24%	0.24	29%	0.287	C	S	.	.			trans	-69.5	-13.7	-171.2	27.5	-36.8	0	0	0	114.4	P422 D423 F424 S446 D473 S479	P422-P475 WeakPolarHBondContact CA-O 3.2Å; D423-P475 PolarHBondContact N-O 2.85Å; F424-P475 HydrophobicContact CE2-CB 4.3Å; F424-P475 HydrophobicContact CZ-CB 4.01Å; S446-P475 VanDerWaalsContact CB-C 3.49Å; S446-P475 VanDerWaalsContact CB-O 3.28Å; S446-P475 WeakPolarHBondContact CB-O 3.38Å; D473-P475 VanDerWaalsContact O-CD 3.28Å; D473-P475 WeakPolarHBondContact O-CD 3.26Å; P475-S479 VanDerWaalsContact CD-OG 3.3Å; P475-S479 WeakPolarHBondContact CD-OG 3.35Å
476	N	92.3	Very high	89.7	Confident	63 Å²	63	44.4 Å²	44.4	34%	0.337	28%	0.277	S	S	.	.	S	Bend	trans	-157.4	166.6	179.5	55.3	63.3	0	0	0	112.3	R445 Y474 T478 S479 M480	R445-N476 CarbonylContact O-C 3.59Å; R445-N476 VanDerWaalsContact O-CA 3.27Å; R445-N476 WeakPolarHBondContact O-CA 3.31Å; Y474-N476 PolarHBondContact O-N 3.42Å; N476-T478 VanDerWaalsContact C-N 3.26Å; N476-T478 PolarHBondContact O-N 2.98Å; N476-T478 WeakPolarHBondContact OD1-CB 3.31Å; N476-T478 PolarHBondContact OD1-N 3.21Å; N476-S479 PolarHBondContact N-OG 3.49Å; N476-S479 PolarHBondContact O-N 3.12Å; N476-S479 VanDerWaalsContact O-N 3.08Å; N476-S479 PolarHBondContact O-OG 2.9Å; N476-S479 PolarHBondContact OD1-N 2.86Å; N476-M480 WeakPolarHBondContact O-CG 3.5Å; N476-M480 PolarHBondContact O-N 3.47Å
477	L	93.3	Very high	89.4	Confident	13 Å²	13	45.3 Å²	45.3	7%	0.068	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-38.5	178	-67.8	175.2	0	0	0	113.7	R445 S479 M480 G481 C482 S484 C486	R445-L477 PolarHBondContact O-N 3.08Å; L477-S479 PolarHBondContact O-N 2.79Å; L477-M480 HydrophobicContact CD2-CE 4.18Å; L477-M480 HydrophobicContact CD2-SD 3.95Å; L477-M480 CarbonylContact O-C 3.57Å; L477-M480 WeakPolarHBondContact O-CA 3.5Å; L477-M480 WeakPolarHBondContact O-CB 3.48Å; L477-M480 PolarHBondContact O-N 2.7Å; L477-G481 PolarHBondContact O-N 2.78Å; L477-C482 CarbonylContact C-O 3.56Å; L477-C482 HydrophobicContact CB-CB 4.08Å; L477-C482 HydrophobicContact CD2-CB 3.98Å; L477-C482 WeakPolarHBondContact O-CB 3.47Å; L477-C482 PolarHBondContact O-N 2.68Å; L477-S484 WeakPolarHBondContact CD1-O 3.5Å; L477-C486 HydrophobicContact CD2-CB 4.5Å
478	T	92.3	Very high	89.4	Confident	118 Å²	118	44.9 Å²	44.9	72%	0.724	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-44	178.3	-51	0	0	0	0	111.6	N476 M480 G481	N476-T478 VanDerWaalsContact C-N 3.26Å; N476-T478 PolarHBondContact O-N 2.98Å; N476-T478 WeakPolarHBondContact OD1-CB 3.31Å; N476-T478 PolarHBondContact OD1-N 3.21Å; T478-M480 PolarHBondContact O-N 3.09Å; T478-G481 PolarHBondContact O-N 3.34Å
479	S	92.4	Very high	89.4	Confident	47 Å²	47	45.2 Å²	45.2	33%	0.329	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.6	175.4	64.9	0	0	0	0	112.6	Y474 P475 N476 L477 G481	Y474-S479 VanDerWaalsContact C-OG 3.28Å; Y474-S479 VanDerWaalsContact CA-OG 3.32Å; Y474-S479 WeakPolarHBondContact CA-OG 3.49Å; Y474-S479 WeakPolarHBondContact CB-OG 3.23Å; Y474-S479 WeakPolarHBondContact CD1-O 3.35Å; P475-S479 VanDerWaalsContact CD-OG 3.3Å; P475-S479 WeakPolarHBondContact CD-OG 3.35Å; N476-S479 PolarHBondContact N-OG 3.49Å; N476-S479 PolarHBondContact O-N 3.12Å; N476-S479 VanDerWaalsContact O-N 3.08Å; N476-S479 PolarHBondContact O-OG 2.9Å; N476-S479 PolarHBondContact OD1-N 2.86Å; L477-S479 PolarHBondContact O-N 2.79Å; S479-G481 PolarHBondContact O-N 3.28Å
480	M	92.5	Very high	89.6	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.02	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.1	175.3	-55.7	160.3	59.5	0	0	112.8	T444 L456 L469 Y474 N476 L477 T478 C482	T444-M480 HydrophobicContact CG2-CE 3.97Å; L456-M480 HydrophobicContact CD1-CE 3.09Å; L469-M480 HydrophobicContact CD2-CB 4.09Å; Y474-M480 VanDerWaalsContact CB-CG 3.46Å; Y474-M480 HydrophobicContact CD1-CG 4.34Å; Y474-M480 HydrophobicContact CG-CG 4.02Å; N476-M480 WeakPolarHBondContact O-CG 3.5Å; N476-M480 PolarHBondContact O-N 3.47Å; L477-M480 HydrophobicContact CD2-CE 4.18Å; L477-M480 HydrophobicContact CD2-SD 3.95Å; L477-M480 CarbonylContact O-C 3.57Å; L477-M480 WeakPolarHBondContact O-CA 3.5Å; L477-M480 WeakPolarHBondContact O-CB 3.48Å; L477-M480 PolarHBondContact O-N 2.7Å; T478-M480 PolarHBondContact O-N 3.09Å; M480-C482 HydrophobicContact CB-CB 4.28Å; M480-C482 PolarHBondContact O-N 3.3Å
481	G	89.3	Confident	89.9	Confident	46 Å²	46	42.6 Å²	42.6	47%	0.474	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	14.7	-171.3	0	0	0	0	0	113.8	H467 L477 T478 S479	H467-G481 PolarHBondContact CE1-O 2.83Å; H467-G481 VanDerWaalsContact CE1-O 3.22Å; H467-G481 PolarHBondContact ND1-O 2.85Å; L477-G481 PolarHBondContact O-N 2.78Å; T478-G481 PolarHBondContact O-N 3.34Å; S479-G481 PolarHBondContact O-N 3.28Å
482	C	90.1	Very high	90.3	Very high	8 Å²	8	43.5 Å²	43.5	5%	0.054	27%	0.27	C	S	.	.			trans	-91.7	145.7	-178.2	-65.4	0	0	0	0	111.2	H467 L477 M480 C486	H467-C482 PolarHBondContact CD2-SG 3.33Å; L477-C482 CarbonylContact C-O 3.56Å; L477-C482 HydrophobicContact CB-CB 4.08Å; L477-C482 HydrophobicContact CD2-CB 3.98Å; L477-C482 WeakPolarHBondContact O-CB 3.47Å; L477-C482 PolarHBondContact O-N 2.68Å; M480-C482 HydrophobicContact CB-CB 4.28Å; M480-C482 PolarHBondContact O-N 3.3Å; C482-C486 HydrophobicContact CB-CB 3.73Å
483	P	86.9	Confident	90.5	Very high	61 Å²	61	40 Å²	40	40%	0.396	26%	0.255	S	S	.	.			trans	-63.2	160.6	169	25.9	-32.3	0	0	0	111.5	S485 C486	P483-S485 PolarHBondContact O-N 2.87Å; P483-C486 HydrophobicContact CG-CB 3.93Å; P483-C486 WeakPolarHBondContact O-CB 3.43Å; P483-C486 PolarHBondContact O-N 3.38Å
484	S	82.4	Confident	90.7	Very high	107 Å²	107	39 Å²	39	75%	0.748	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20	-177.3	52	0	0	0	0	114.7	R445 L477	R445-S484 PolarHBondContact NH1-O 2.98Å; L477-S484 WeakPolarHBondContact CD1-O 3.5Å
485	S	79.8	Confident	90.4	Very high	97 Å²	97	40.5 Å²	40.5	68%	0.678	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	73.6	172.4	178.1	0	0	0	0	109.5	P483	P483-S485 PolarHBondContact O-N 2.87Å
486	C	82.5	Confident	90.2	Very high	10 Å²	10	40.8 Å²	40.8	7%	0.068	26%	0.26	C	S	.	.			trans	-102.3	108	175.2	-174.5	0	0	0	0	110.1	L477 C482 P483 V488	L477-C486 HydrophobicContact CD2-CB 4.5Å; C482-C486 HydrophobicContact CB-CB 3.73Å; P483-C486 HydrophobicContact CG-CB 3.93Å; P483-C486 WeakPolarHBondContact O-CB 3.43Å; P483-C486 PolarHBondContact O-N 3.38Å; C486-V488 PolarHBondContact O-N 3.45Å
487	P	89.1	Confident	89.8	Confident	57 Å²	57	39.3 Å²	39.3	37%	0.37	25%	0.253	S	S	.	.			trans	-75.4	107	173.1	30.3	-31.3	0	0	0	109.3	E458 L489	E458-P487 CarbonylContact C-O 3.49Å; E458-P487 WeakPolarHBondContact CA-O 3.36Å; P487-L489 HydrophobicContact CB-CG 4.31Å; P487-L489 PolarHBondContact O-N 3.18Å
488	V	93.1	Very high	89.6	Confident	6 Å²	6	39.1 Å²	39.1	4%	0.036	25%	0.252	C	S	.	.			trans	-83	102.9	175.9	-178	0	0	0	0	109.2	L438 T444 L456 C486 I491	L438-V488 HydrophobicContact CD1-CG1 4.06Å; T444-V488 HydrophobicContact CG2-CG2 4.49Å; L456-V488 HydrophobicContact CB-CG1 3.98Å; L456-V488 HydrophobicContact CB-CG2 4.34Å; L456-V488 HydrophobicContact CD1-CG1 4.49Å; L456-V488 HydrophobicContact CD1-CG2 4.22Å; L456-V488 HydrophobicContact CD2-CG1 4.16Å; L456-V488 HydrophobicContact CG-CG1 4.44Å; C486-V488 PolarHBondContact O-N 3.45Å; V488-I491 HydrophobicContact CG1-CG2 4.04Å
489	L	95	Very high	89.4	Confident	28 Å²	28	34.5 Å²	34.5	15%	0.147	23%	0.225	C	C	.	.			trans	-108.9	-12.8	-173.4	-64	-174.7	0	0	0	114.5	A437 L438 E440 C457 E458 K460 P487	A437-L489 CarbonylContact C-O 3.51Å; A437-L489 WeakPolarHBondContact CA-O 3.33Å; L438-L489 PolarHBondContact N-O 2.95Å; E440-L489 HydrophobicContact CG-CD2 3.86Å; C457-L489 PolarHBondContact O-N 2.96Å; E458-L489 WeakPolarHBondContact O-CB 3.42Å; E458-L489 WeakPolarHBondContact O-CD1 3.46Å; E458-L489 VanDerWaalsContact O-CG 3.27Å; E458-L489 WeakPolarHBondContact O-CG 3.48Å; K460-L489 HydrophobicContact CG-CB 4.22Å; P487-L489 HydrophobicContact CB-CG 4.31Å; P487-L489 PolarHBondContact O-N 3.18Å
490	S	96.3	Very high	89.2	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160.6	166.1	62.5	0	0	0	0	111.3	Q435 G436 C457 N459 F462	Q435-S490 WeakPolarHBondContact O-CA 3.41Å; Q435-S490 VanDerWaalsContact O-CB 3.26Å; Q435-S490 WeakPolarHBondContact O-CB 3.39Å; G436-S490 WeakPolarHBondContact O-CB 3.29Å; C457-S490 VanDerWaalsContact CB-OG 3.29Å; C457-S490 WeakPolarHBondContact CB-OG 3.48Å; C457-S490 PolarHBondContact N-O 3.01Å; C457-S490 PolarHBondContact O-N 2.8Å; N459-S490 WeakPolarHBondContact O-CB 3.48Å; N459-S490 PolarHBondContact O-OG 2.84Å; F462-S490 VanDerWaalsContact CA-OG 3.31Å; F462-S490 WeakPolarHBondContact CA-OG 3.23Å; F462-S490 PolarHBondContact N-OG 2.94Å
491	I	96.3	Very high	89.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.6	179.5	54.8	168.9	0	0	0	110.8	I416 L418 F431 S434 Q435 L438 W454 V455 L456 F462 V488	I416-I491 HydrophobicContact CG2-CD1 4.1Å; L418-I491 HydrophobicContact CD1-CG2 4.32Å; F431-I491 HydrophobicContact CB-CD1 3.52Å; F431-I491 HydrophobicContact CD1-CD1 3.8Å; F431-I491 HydrophobicContact CD2-CD1 3.36Å; F431-I491 HydrophobicContact CE1-CD1 4.34Å; F431-I491 HydrophobicContact CE2-CD1 3.95Å; F431-I491 HydrophobicContact CG-CD1 3.27Å; F431-I491 HydrophobicContact CZ-CD1 4.41Å; S434-I491 CarbonylContact C-O 3.08Å; S434-I491 VanDerWaalsContact CA-O 3.29Å; S434-I491 WeakPolarHBondContact CA-O 3.47Å; Q435-I491 HydrophobicContact CB-CD1 4.2Å; Q435-I491 HydrophobicContact CB-CG1 3.72Å; Q435-I491 PolarHBondContact N-O 2.92Å; Q435-I491 PolarHBondContact O-N 2.9Å; L438-I491 HydrophobicContact CD1-CG2 4.02Å; W454-I491 HydrophobicContact CE3-CD1 4.4Å; W454-I491 HydrophobicContact CZ3-CD1 4.03Å; V455-I491 CarbonylContact O-C 3.57Å; V455-I491 VanDerWaalsContact O-CA 3.24Å; V455-I491 WeakPolarHBondContact O-CA 3.49Å; L456-I491 HydrophobicContact CD2-CB 4.42Å; L456-I491 HydrophobicContact CD2-CG2 3.42Å; L456-I491 VanDerWaalsContact CD2-CG2 3.42Å; F462-I491 WeakPolarHBondContact CE1-O 3.34Å; V488-I491 HydrophobicContact CG1-CG2 4.04Å
492	K	95	Very high	89.4	Confident	52 Å²	52	33.3 Å²	33.3	23%	0.226	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.3	-179.1	-172.7	-179.7	173.9	-173.9	0	110	W454 V455 F462 E560	W454-K492 CarbonylContact C-O 3.5Å; W454-K492 WeakPolarHBondContact CA-O 3.33Å; V455-K492 HydrophobicContact CB-CB 4.16Å; V455-K492 HydrophobicContact CG2-CB 4.48Å; V455-K492 PolarHBondContact N-O 2.78Å; V455-K492 PolarHBondContact O-N 3.45Å; F462-K492 HydrophobicContact CB-CD 4.48Å; F462-K492 HydrophobicContact CD1-CB 3.8Å; F462-K492 HydrophobicContact CD1-CG 4.43Å; F462-K492 HydrophobicContact CE1-CB 4.22Å; F462-K492 HydrophobicContact CG-CB 4.28Å; F462-K492 HydrophobicContact CG-CD 4.42Å; K492-E560 WeakPolarHBondContact CE-OE1 3.44Å; K492-E560 IonicContact NZ-OE1 3.28Å; K492-E560 PolarHBondContact NZ-OE1 2.89Å
493	L	92.9	Very high	89.7	Confident	39 Å²	39	33 Å²	33	20%	0.204	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.7	167.6	178.1	62.9	0	0	0	109	S434 W454	S434-L493 PolarHBondContact OG-N 3.48Å; W454-L493 HydrophobicContact CD2-CD1 4.06Å; W454-L493 HydrophobicContact CE3-CB 4.23Å; W454-L493 HydrophobicContact CH2-CB 4.26Å; W454-L493 HydrophobicContact CH2-CD1 4.41Å; W454-L493 HydrophobicContact CZ2-CD1 3.84Å; W454-L493 HydrophobicContact CZ3-CB 4.09Å
494	V	91.3	Very high	90.2	Very high	10 Å²	10	30.1 Å²	30.1	6%	0.061	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-77.1	126.5	174.6	-175.5	0	0	0	0	109.1	S453 V455 C543 L558 V582	S453-V494 WeakPolarHBondContact O-CB 3.13Å; S453-V494 VanDerWaalsContact O-CG2 3.31Å; S453-V494 WeakPolarHBondContact O-CG2 3.17Å; S453-V494 PolarHBondContact O-N 2.87Å; V455-V494 HydrophobicContact CG2-CG2 3.89Å; V494-C543 HydrophobicContact CG1-CB 4.05Å; V494-L558 HydrophobicContact CG1-CD1 4.49Å; V494-L558 HydrophobicContact CG1-CD2 4.35Å; V494-L558 HydrophobicContact CG2-CD2 3.77Å; V494-V582 HydrophobicContact CG1-CG1 4.18Å
495	P	86.9	Confident	90.9	Very high	48 Å²	48	25 Å²	25	31%	0.312	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-61.3	136	179.1	-24.1	34.6	0	0	0	113.1	Q584	P495-Q584 PolarHBondContact O-NE2 2.86Å
496	M	84	Confident	91.7	Very high	43 Å²	43	20.7 Å²	20.7	21%	0.212	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-80.2	127	171.8	-172.7	83	-171.3	0	0	110.2	L498 Q584 M673	M496-L498 HydrophobicContact CE-CD2 4.04Å; M496-Q584 HydrophobicContact CE-CB 3.66Å; M496-Q584 HydrophobicContact CE-CG 4.26Å; M496-Q584 HydrophobicContact SD-CB 3.64Å; M496-Q584 HydrophobicContact SD-CG 3.65Å; M496-Q584 PolarHBondContact SD-OE1 2.95Å; M496-M673 HydrophobicContact CB-CG 3.89Å; M496-M673 HydrophobicContact CB-SD 3.8Å; M496-M673 HydrophobicContact CG-CG 4.35Å; M496-M673 HydrophobicContact CG-SD 3.59Å; M496-M673 VanDerWaalsContact CG-SD 3.59Å
497	T	85.2	Confident	92.2	Very high	32 Å²	32	21.8 Å²	21.8	20%	0.196	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	122.9	178	54.1	0	0	0	0	109.5	S499 Q584 K672	T497-S499 PolarHBondContact O-N 2.81Å; T497-S499 VanDerWaalsContact O-N 3.09Å; T497-Q584 PolarHBondContact O-OE1 2.81Å; T497-K672 HydrophobicContact CG2-CG 4.39Å
498	L	88.5	Confident	92.5	Very high	8 Å²	8	23.3 Å²	23.3	4%	0.042	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	100.9	171.5	-55.1	-170.8	0	0	0	108	M496 F589 Y629 S670 A671 I716	M496-L498 HydrophobicContact CE-CD2 4.04Å; L498-F589 HydrophobicContact CD1-CE1 3.82Å; L498-F589 HydrophobicContact CD1-CE2 4.28Å; L498-F589 HydrophobicContact CD1-CZ 3.62Å; L498-Y629 HydrophobicContact CB-CD1 4.33Å; L498-Y629 HydrophobicContact CB-CD2 3.78Å; L498-Y629 HydrophobicContact CB-CE1 4.46Å; L498-Y629 HydrophobicContact CB-CE2 3.92Å; L498-Y629 HydrophobicContact CB-CG 3.98Å; L498-Y629 HydrophobicContact CD1-CD2 4.13Å; L498-Y629 HydrophobicContact CD1-CG 4.25Å; L498-Y629 HydrophobicContact CD2-CD1 4.27Å; L498-Y629 HydrophobicContact CD2-CG 3.97Å; L498-Y629 HydrophobicContact CG-CD2 4.38Å; L498-Y629 HydrophobicContact CG-CG 4.29Å; L498-S670 CarbonylContact O-C 3.6Å; L498-S670 WeakPolarHBondContact O-CA 3.37Å; L498-S670 WeakPolarHBondContact O-CB 3.39Å; L498-A671 HydrophobicContact CB-CB 4.23Å; L498-A671 HydrophobicContact CD1-CB 4.35Å; L498-A671 PolarHBondContact N-O 2.79Å; L498-A671 PolarHBondContact O-N 2.88Å; L498-I716 HydrophobicContact CD1-CD1 3.55Å; L498-I716 HydrophobicContact CG-CD1 3.97Å
499	S	88.4	Confident	92.6	Very high	21 Å²	21	27.8 Å²	27.8	15%	0.147	16%	0.158	C	C	.	.	S	Bend	trans	-157.2	149.8	177.2	59.6	0	0	0	0	110.2	T497 G542 Y629	T497-S499 PolarHBondContact O-N 2.81Å; T497-S499 VanDerWaalsContact O-N 3.09Å; S499-G542 WeakPolarHBondContact OG-CA 3.04Å; S499-G542 PolarHBondContact OG-N 2.78Å; S499-Y629 WeakPolarHBondContact CA-OH 3.43Å; S499-Y629 PolarHBondContact N-OH 2.8Å
500	V	88.5	Confident	92.6	Very high	26 Å²	26	28.3 Å²	28.3	16%	0.158	17%	0.171	C	C	.	.			trans	-69.3	123	162.4	-177.2	0	0	0	0	106.6	E519 S541 Y629 G632	V500-E519 HydrophobicContact CG1-CG 4.49Å; V500-S541 WeakPolarHBondContact O-CB 3.35Å; V500-S541 PolarHBondContact O-OG 3.45Å; V500-Y629 PolarHBondContact N-OH 2.67Å; V500-G632 VanDerWaalsContact CG2-CA 3.45Å
501	P	91.1	Very high	92.6	Very high	33 Å²	33	29.5 Å²	29.5	21%	0.214	18%	0.177	C	C	.	.			trans	-68.4	140.6	-179.7	28.1	-33.4	0	0	0	110.5	E519 S541 W544 P581	P501-E519 VanDerWaalsContact O-CA 3.24Å; P501-E519 WeakPolarHBondContact O-CA 3.38Å; P501-E519 WeakPolarHBondContact O-CB 3.35Å; P501-S541 WeakPolarHBondContact CA-O 3.32Å; P501-W544 HydrophobicContact CB-CZ2 3.95Å; P501-P581 HydrophobicContact CB-CB 3.53Å; P501-P581 HydrophobicContact CB-CG 4.38Å; P501-P581 HydrophobicContact CG-CB 3.7Å; P501-P581 HydrophobicContact CG-CG 4.06Å
502	S	93.8	Very high	92.5	Very high	14 Å²	14	35.6 Å²	35.6	10%	0.098	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	134.8	175.6	175.8	0	0	0	0	111.1	T518 N540 S541 W544	S502-T518 WeakPolarHBondContact CA-O 3.3Å; S502-N540 PolarHBondContact O-N 2.85Å; S502-N540 PolarHBondContact OG-ND2 3.03Å; S502-S541 WeakPolarHBondContact CB-OG 3.4Å; S502-S541 PolarHBondContact N-O 2.81Å; S502-S541 PolarHBondContact N-OG 2.8Å; S502-S541 PolarHBondContact O-N 2.89Å; S502-S541 VanDerWaalsContact O-N 3.15Å; S502-W544 PolarHBondContact O-NE1 3.15Å
503	V	97.1	Very high	92.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.1	175.8	66.7	0	0	0	0	110.2	L505 T517 T518 V537 R538 V539 W544 M579	V503-L505 HydrophobicContact CG2-CD2 4.29Å; V503-T517 WeakPolarHBondContact O-CA 3.18Å; V503-T518 HydrophobicContact CG1-CG2 3.7Å; V503-T518 PolarHBondContact N-O 3.03Å; V503-T518 PolarHBondContact O-N 2.74Å; V503-V537 HydrophobicContact CG2-CG1 4.21Å; V503-R538 WeakPolarHBondContact CG2-O 3.17Å; V503-V539 HydrophobicContact CG2-CG2 4.06Å; V503-W544 HydrophobicContact CB-CD2 3.75Å; V503-W544 HydrophobicContact CB-CE3 4.25Å; V503-W544 HydrophobicContact CB-CG 3.97Å; V503-W544 HydrophobicContact CB-CZ2 4.19Å; V503-W544 HydrophobicContact CG1-CD2 3.57Å; V503-W544 HydrophobicContact CG1-CE3 3.56Å; V503-W544 HydrophobicContact CG1-CG 4.29Å; V503-W544 HydrophobicContact CG1-CH2 3.71Å; V503-W544 HydrophobicContact CG1-CZ2 3.72Å; V503-W544 HydrophobicContact CG1-CZ3 3.64Å; V503-M579 HydrophobicContact CG1-SD 3.99Å
504	S	97.5	Very high	92.3	Very high	1 Å²	1	42 Å²	42	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.1	174	-68.1	0	0	0	0	110.6	E515 I516 T517 R538 N540	S504-E515 WeakPolarHBondContact CB-OE1 3.47Å; S504-E515 PolarHBondContact OG-OE1 3.11Å; S504-I516 CarbonylContact C-O 3.58Å; S504-I516 VanDerWaalsContact CA-O 3.31Å; S504-I516 WeakPolarHBondContact CA-O 3.32Å; S504-T517 PolarHBondContact OG-OG1 3Å; S504-R538 PolarHBondContact N-O 2.95Å; S504-R538 PolarHBondContact O-N 2.83Å; S504-N540 PolarHBondContact OG-ND2 3.37Å
505	L	96.8	Very high	92.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	142.8	173.5	-53.2	-178.6	0	0	0	110.5	V503 E515 I516 L525 I534 V537 L546 M579	V503-L505 HydrophobicContact CG2-CD2 4.29Å; L505-E515 CarbonylContact O-C 3.6Å; L505-E515 WeakPolarHBondContact O-CA 3.43Å; L505-I516 HydrophobicContact CB-CB 4.47Å; L505-I516 PolarHBondContact N-O 2.8Å; L505-I516 PolarHBondContact O-N 3.38Å; L505-L525 HydrophobicContact CD1-CD1 3.94Å; L505-L525 HydrophobicContact CD1-CD2 4.42Å; L505-I534 HydrophobicContact CB-CD1 4.01Å; L505-I534 HydrophobicContact CB-CG1 4.43Å; L505-I534 HydrophobicContact CB-CG2 4.05Å; L505-I534 HydrophobicContact CD1-CD1 4.2Å; L505-I534 HydrophobicContact CD1-CG1 4.16Å; L505-I534 HydrophobicContact CD2-CG2 4.3Å; L505-V537 HydrophobicContact CD2-CB 4.23Å; L505-V537 HydrophobicContact CD2-CG1 3.82Å; L505-V537 HydrophobicContact CD2-CG2 3.67Å; L505-L546 HydrophobicContact CD2-CD2 4.05Å; L505-M579 HydrophobicContact CD1-CE 3.32Å; L505-M579 HydrophobicContact CD1-SD 3.73Å; L505-M579 HydrophobicContact CG-CE 4.46Å; L505-M579 HydrophobicContact CG-SD 4.3Å
506	F	96.2	Very high	92.7	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.5	-173.2	-62.8	-92	0	0	0	111.5	L508 L511 E515 L535 S536 R538	F506-L508 VanDerWaalsContact C-N 3.27Å; F506-L508 PolarHBondContact O-N 2.84Å; F506-L511 VanDerWaalsContact CD1-C 3.47Å; F506-L511 HydrophobicContact CD1-CB 4.44Å; F506-L511 WeakPolarHBondContact CD1-O 3.45Å; F506-L511 HydrophobicContact CD2-CB 4.2Å; F506-L511 HydrophobicContact CD2-CD2 3.6Å; F506-L511 HydrophobicContact CE1-CB 4.34Å; F506-L511 WeakPolarHBondContact CE1-O 3.28Å; F506-L511 HydrophobicContact CE2-CB 4.11Å; F506-L511 HydrophobicContact CE2-CD2 3.66Å; F506-L511 HydrophobicContact CE2-CG 4.45Å; F506-L511 HydrophobicContact CG-CB 4.38Å; F506-L511 HydrophobicContact CG-CD2 4.43Å; F506-L511 HydrophobicContact CZ-CB 4.18Å; F506-E515 HydrophobicContact CD1-CB 4.02Å; F506-E515 HydrophobicContact CD1-CG 4.22Å; F506-E515 HydrophobicContact CE1-CB 3.72Å; F506-E515 HydrophobicContact CE1-CG 3.6Å; F506-E515 HydrophobicContact CZ-CB 4.42Å; F506-E515 HydrophobicContact CZ-CG 3.8Å; F506-E515 WeakPolarHBondContact CZ-OE1 3.28Å; F506-L535 PolarHBondContact O-N 2.83Å; F506-S536 VanDerWaalsContact CB-OG 3.27Å; F506-S536 WeakPolarHBondContact CB-OG 3.45Å; F506-S536 PolarHBondContact N-O 2.79Å; F506-S536 PolarHBondContact O-N 2.9Å; F506-R538 HydrophobicContact CE2-CB 4Å
507	G	93.4	Very high	93.3	Very high	33 Å²	33	46.4 Å²	46.4	34%	0.34	26%	0.262	S	S	.	.	S	Bend	trans	-73.7	-11.9	178.4	0	0	0	0	0	114.9	R514 L535	G507-R514 PolarHBondContact N-O 2.91Å; G507-R514 VanDerWaalsContact N-O 3.17Å; G507-L535 WeakPolarHBondContact O-CD1 3.43Å
508	L	94.8	Very high	93.7	Very high	89 Å²	89	46 Å²	46	47%	0.466	26%	0.26	S	S	.	.	S	Bend	trans	-123.2	166.2	175.8	-58.5	176.9	0	0	0	111.2	F506 E512 L535 S536	F506-L508 VanDerWaalsContact C-N 3.27Å; F506-L508 PolarHBondContact O-N 2.84Å; L508-E512 HydrophobicContact CB-CB 4.19Å; L508-E512 WeakPolarHBondContact CB-O 3.44Å; L508-E512 HydrophobicContact CD1-CB 4.4Å; L508-E512 PolarHBondContact N-O 3.07Å; L508-L535 VanDerWaalsContact C-CB 3.4Å; L508-S536 WeakPolarHBondContact O-CB 3.18Å; L508-S536 PolarHBondContact O-N 2.81Å; L508-S536 PolarHBondContact O-OG 3.26Å
509	E	95.8	Very high	93.9	Very high	100 Å²	100	51.5 Å²	51.5	47%	0.467	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-67.4	163.4	168.7	-61	-172	-174.7	0	0	110.6	L511 L535 T565 N566	E509-L511 VanDerWaalsContact C-N 3.31Å; E509-L511 PolarHBondContact O-N 3.31Å; E509-L535 HydrophobicContact CG-CB 4.15Å; E509-T565 CarbonylContact C-O 3.59Å; E509-T565 WeakPolarHBondContact CA-O 3.29Å; E509-N566 PolarHBondContact OE1-ND2 3.31Å; E509-N566 PolarHBondContact OE2-ND2 2.98Å
510	G	94.9	Very high	94.1	Very high	39 Å²	39	54.1 Å²	54.1	40%	0.402	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	74	14.5	174.5	0	0	0	0	0	115.7	E512 T565	G510-E512 VanDerWaalsContact C-N 3.33Å; G510-T565 PolarHBondContact N-O 3.18Å
511	L	96.1	Very high	94.4	Very high	25 Å²	25	56.5 Å²	56.5	13%	0.131	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	64.6	36.9	-175.4	-48	171.6	0	0	0	112.4	F506 E509 S536 R538 E563	F506-L511 VanDerWaalsContact CD1-C 3.47Å; F506-L511 HydrophobicContact CD1-CB 4.44Å; F506-L511 WeakPolarHBondContact CD1-O 3.45Å; F506-L511 HydrophobicContact CD2-CB 4.2Å; F506-L511 HydrophobicContact CD2-CD2 3.6Å; F506-L511 HydrophobicContact CE1-CB 4.34Å; F506-L511 WeakPolarHBondContact CE1-O 3.28Å; F506-L511 HydrophobicContact CE2-CB 4.11Å; F506-L511 HydrophobicContact CE2-CD2 3.66Å; F506-L511 HydrophobicContact CE2-CG 4.45Å; F506-L511 HydrophobicContact CG-CB 4.38Å; F506-L511 HydrophobicContact CG-CD2 4.43Å; F506-L511 HydrophobicContact CZ-CB 4.18Å; E509-L511 VanDerWaalsContact C-N 3.31Å; E509-L511 PolarHBondContact O-N 3.31Å; L511-S536 VanDerWaalsContact CA-OG 3.24Å; L511-S536 WeakPolarHBondContact CA-OG 3.14Å; L511-S536 PolarHBondContact N-OG 2.94Å; L511-R538 VanDerWaalsContact CD1-NH2 3.29Å; L511-R538 HydrophobicContact CD2-CB 4.12Å; L511-E563 HydrophobicContact CD1-CB 4.06Å; L511-E563 HydrophobicContact CD1-CG 3.94Å
512	E	93.8	Very high	94.7	Very high	127 Å²	127	55.5 Å²	55.5	59%	0.593	31%	0.306	S	S	*	.			trans	-111.4	171.2	-179.9	-61.8	-173.4	176.6	0	0	112.7	L508 G510	L508-E512 HydrophobicContact CB-CB 4.19Å; L508-E512 WeakPolarHBondContact CB-O 3.44Å; L508-E512 HydrophobicContact CD1-CB 4.4Å; L508-E512 PolarHBondContact N-O 3.07Å; G510-E512 VanDerWaalsContact C-N 3.33Å
513	G	92.1	Very high	94.8	Very high	50 Å²	50	57.6 Å²	57.6	52%	0.515	32%	0.318	S	S	.	.	S	Bend	trans	81.9	-155	177.2	0	0	0	0	0	113.3	E515	G513-E515 PolarHBondContact O-N 2.72Å
514	R	91.3	Very high	94.8	Very high	175 Å²	175	57.8 Å²	57.8	66%	0.66	32%	0.319	S	S	*	.	S	Bend	trans	-69.1	118	-179.1	-175.3	177.3	-179.6	-174	-2.4	109.6	G507	G507-R514 PolarHBondContact N-O 2.91Å; G507-R514 VanDerWaalsContact N-O 3.17Å
515	E	94.7	Very high	94.6	Very high	92 Å²	92	57.7 Å²	57.7	43%	0.43	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.3	174.1	-175.8	174.6	-164.9	0	0	110.9	S504 L505 F506 G513 T517	S504-E515 WeakPolarHBondContact CB-OE1 3.47Å; S504-E515 PolarHBondContact OG-OE1 3.11Å; L505-E515 CarbonylContact O-C 3.6Å; L505-E515 WeakPolarHBondContact O-CA 3.43Å; F506-E515 HydrophobicContact CD1-CB 4.02Å; F506-E515 HydrophobicContact CD1-CG 4.22Å; F506-E515 HydrophobicContact CE1-CB 3.72Å; F506-E515 HydrophobicContact CE1-CG 3.6Å; F506-E515 HydrophobicContact CZ-CB 4.42Å; F506-E515 HydrophobicContact CZ-CG 3.8Å; F506-E515 WeakPolarHBondContact CZ-OE1 3.28Å; G513-E515 PolarHBondContact O-N 2.72Å; E515-T517 PolarHBondContact OE1-OG1 2.63Å
516	I	93.3	Very high	94.5	Very high	24 Å²	24	61.6 Å²	61.6	12%	0.123	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	109.1	168.8	-57.1	163	0	0	0	106.5	S504 L505 F530	S504-I516 CarbonylContact C-O 3.58Å; S504-I516 VanDerWaalsContact CA-O 3.31Å; S504-I516 WeakPolarHBondContact CA-O 3.32Å; L505-I516 HydrophobicContact CB-CB 4.47Å; L505-I516 PolarHBondContact N-O 2.8Å; L505-I516 PolarHBondContact O-N 3.38Å; I516-F530 HydrophobicContact CD1-CB 3.75Å; I516-F530 HydrophobicContact CD1-CD1 3.41Å; I516-F530 VanDerWaalsContact CD1-CD1 3.41Å; I516-F530 HydrophobicContact CD1-CE1 4.12Å; I516-F530 HydrophobicContact CD1-CG 3.65Å; I516-F530 HydrophobicContact CG1-CD1 3.7Å; I516-F530 HydrophobicContact CG1-CE1 3.91Å; I516-F530 HydrophobicContact CG1-CG 4.34Å; I516-F530 HydrophobicContact CG2-CD1 4.25Å; I516-F530 HydrophobicContact CG2-CD2 4.46Å; I516-F530 HydrophobicContact CG2-CE1 3.96Å; I516-F530 HydrophobicContact CG2-CE2 4.18Å; I516-F530 HydrophobicContact CG2-CG 4.49Å; I516-F530 HydrophobicContact CG2-CZ 3.93Å
517	T	95.5	Very high	94.4	Very high	78 Å²	78	68.2 Å²	68.2	48%	0.479	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.6	176.5	-50.4	0	0	0	0	110.1	V503 S504 E515	V503-T517 WeakPolarHBondContact O-CA 3.18Å; S504-T517 PolarHBondContact OG-OG1 3Å; E515-T517 PolarHBondContact OE1-OG1 2.63Å
518	T	94.1	Very high	94.4	Very high	24 Å²	24	70.7 Å²	70.7	15%	0.147	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.6	176.2	-176.5	0	0	0	0	111.4	S502 V503 S520 V522 W544 M579	S502-T518 WeakPolarHBondContact CA-O 3.3Å; V503-T518 HydrophobicContact CG1-CG2 3.7Å; V503-T518 PolarHBondContact N-O 3.03Å; V503-T518 PolarHBondContact O-N 2.74Å; T518-S520 PolarHBondContact OG1-N 3.17Å; T518-S520 VanDerWaalsContact OG1-N 3.15Å; T518-S520 PolarHBondContact OG1-O 2.9Å; T518-S520 PolarHBondContact OG1-OG 3.37Å; T518-V522 HydrophobicContact CG2-CG2 4.09Å; T518-W544 HydrophobicContact CG2-CH2 3.93Å; T518-W544 HydrophobicContact CG2-CZ3 4.23Å; T518-W544 WeakPolarHBondContact O-CZ2 3.43Å; T518-M579 HydrophobicContact CG2-SD 4.15Å
519	E	92.6	Very high	94.2	Very high	124 Å²	124	69.3 Å²	69.3	58%	0.579	39%	0.386	S	S	*	.	S	Bend	trans	-109.1	-10.8	172.9	-59	-179.4	177.2	0	0	111.8	V500 P501	V500-E519 HydrophobicContact CG1-CG 4.49Å; P501-E519 VanDerWaalsContact O-CA 3.24Å; P501-E519 WeakPolarHBondContact O-CA 3.38Å; P501-E519 WeakPolarHBondContact O-CB 3.35Å
520	S	92.7	Very high	94	Very high	75 Å²	75	67.4 Å²	67.4	52%	0.524	38%	0.376	S	S	.	.	S	Bend	trans	-114.3	162.7	-178	60.9	0	0	0	0	112.1	T518 W544	T518-S520 PolarHBondContact OG1-N 3.17Å; T518-S520 VanDerWaalsContact OG1-N 3.15Å; T518-S520 PolarHBondContact OG1-O 2.9Å; T518-S520 PolarHBondContact OG1-OG 3.37Å; S520-W544 WeakPolarHBondContact O-CH2 3.27Å
521	E	95.1	Very high	93.7	Very high	77 Å²	77	70.5 Å²	70.5	36%	0.36	38%	0.384	S	S	.	.			trans	-60.1	146.7	172.5	69.5	-168.4	119.8	0	0	112.2	Y552 M579 R583	E521-Y552 WeakPolarHBondContact CB-OH 3.21Å; E521-Y552 WeakPolarHBondContact CG-OH 3.42Å; E521-Y552 PolarHBondContact OE2-OH 3.49Å; E521-M579 CarbonylContact C-O 3.54Å; E521-M579 WeakPolarHBondContact CA-O 3.36Å; E521-R583 IonicContact OE1-CZ 2.74Å; E521-R583 IonicContact OE1-NH2 3.21Å; E521-R583 PolarHBondContact OE1-NH2 2.9Å
522	V	96.4	Very high	93.4	Very high	11 Å²	11	71.5 Å²	71.5	7%	0.067	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-123.6	109.6	176	175.2	0	0	0	0	107.2	T518 L525 S578 M579	T518-V522 HydrophobicContact CG2-CG2 4.09Å; V522-L525 HydrophobicContact CG1-CD2 4.15Å; V522-L525 HydrophobicContact CG1-CG 4.09Å; V522-S578 VanDerWaalsContact O-CA 3.3Å; V522-S578 WeakPolarHBondContact O-CA 3.32Å; V522-S578 WeakPolarHBondContact O-CB 3.31Å; V522-M579 HydrophobicContact CB-CE 4.18Å; V522-M579 HydrophobicContact CB-CG 4.13Å; V522-M579 HydrophobicContact CG1-CE 4.41Å; V522-M579 HydrophobicContact CG2-CE 4.47Å; V522-M579 HydrophobicContact CG2-CG 4.37Å; V522-M579 PolarHBondContact N-O 3.28Å; V522-M579 PolarHBondContact O-N 3.21Å
523	T	96.6	Very high	93.4	Very high	58 Å²	58	69.1 Å²	69.1	36%	0.356	38%	0.378	S	S	.	.	S	Bend	trans	-72.6	-30.6	-178.8	50.3	0	0	0	0	112.3	N551 Y552 S578	T523-N551 PolarHBondContact O-N 3.43Å; T523-Y552 HydrophobicContact CG2-CE2 4.22Å; T523-Y552 WeakPolarHBondContact CG2-OH 3.43Å; T523-S578 VanDerWaalsContact O-CB 3.27Å; T523-S578 WeakPolarHBondContact O-CB 3.27Å
524	S	96.6	Very high	93.5	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.028	35%	0.354	C	S	.	.			trans	-158.9	111.1	176.4	-178.4	0	0	0	0	111.8	V526 Q527 D528 S550 G577	S524-V526 VanDerWaalsContact C-N 3.25Å; S524-V526 PolarHBondContact O-N 2.77Å; S524-Q527 PolarHBondContact O-N 2.93Å; S524-Q527 VanDerWaalsContact O-N 3.13Å; S524-Q527 PolarHBondContact OG-N 2.83Å; S524-D528 PolarHBondContact O-N 3.07Å; S524-D528 VanDerWaalsContact O-N 3.11Å; S524-S550 PolarHBondContact OG-OG 2.73Å; S524-G577 WeakPolarHBondContact CA-O 3.49Å
525	L	94.4	Very high	93.7	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-41.1	178.4	-86.8	167.7	0	0	0	112.4	L505 V522 D528 G529 F530 V576 G577 M579	L505-L525 HydrophobicContact CD1-CD1 3.94Å; L505-L525 HydrophobicContact CD1-CD2 4.42Å; V522-L525 HydrophobicContact CG1-CD2 4.15Å; V522-L525 HydrophobicContact CG1-CG 4.09Å; L525-D528 PolarHBondContact O-N 3.42Å; L525-G529 PolarHBondContact O-N 2.76Å; L525-F530 HydrophobicContact CB-CB 4.34Å; L525-F530 HydrophobicContact CD2-CB 3.81Å; L525-F530 HydrophobicContact CD2-CD2 3.78Å; L525-F530 HydrophobicContact CD2-CG 4.07Å; L525-F530 WeakPolarHBondContact O-CA 3.49Å; L525-F530 WeakPolarHBondContact O-CB 3.35Å; L525-F530 PolarHBondContact O-N 2.94Å; L525-V576 HydrophobicContact CD1-CB 4.07Å; L525-V576 HydrophobicContact CD1-CG1 3.99Å; L525-V576 WeakPolarHBondContact CD1-O 3.42Å; L525-G577 PolarHBondContact N-O 2.75Å; L525-M579 HydrophobicContact CD1-CE 3.52Å; L525-M579 HydrophobicContact CD2-CE 3.85Å; L525-M579 HydrophobicContact CG-CE 3.69Å
526	V	94.4	Very high	93.9	Very high	82 Å²	82	55.7 Å²	55.7	50%	0.497	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-37.1	-179.8	-178.9	0	0	0	0	112.2	S524 D528 G529 D532	S524-V526 VanDerWaalsContact C-N 3.25Å; S524-V526 PolarHBondContact O-N 2.77Å; V526-D528 VanDerWaalsContact C-N 3.32Å; V526-G529 PolarHBondContact O-N 2.83Å; V526-G529 VanDerWaalsContact O-N 3.15Å; V526-D532 HydrophobicContact CG2-CB 3.91Å
527	Q	93.9	Very high	94.1	Very high	145 Å²	145	54.5 Å²	54.5	68%	0.678	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-31.8	178.6	-72.4	178.7	-21.6	0	0	111.7	S524 G529	S524-Q527 PolarHBondContact O-N 2.93Å; S524-Q527 VanDerWaalsContact O-N 3.13Å; S524-Q527 PolarHBondContact OG-N 2.83Å; Q527-G529 PolarHBondContact O-N 3.39Å
528	D	92.6	Very high	94.2	Very high	86 Å²	86	54.2 Å²	54.2	46%	0.46	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	1.8	173.7	-68.7	4.4	0	0	0	112.5	S524 L525 V526 F530	S524-D528 PolarHBondContact O-N 3.07Å; S524-D528 VanDerWaalsContact O-N 3.11Å; L525-D528 PolarHBondContact O-N 3.42Å; V526-D528 VanDerWaalsContact C-N 3.32Å; D528-F530 HydrophobicContact CB-CD2 3.7Å; D528-F530 HydrophobicContact CB-CE2 3.77Å
529	G	91.6	Very high	94.3	Very high	59 Å²	59	53.3 Å²	53.3	61%	0.608	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	14.7	174.9	0	0	0	0	0	114.6	L525 V526 Q527	L525-G529 PolarHBondContact O-N 2.76Å; V526-G529 PolarHBondContact O-N 2.83Å; V526-G529 VanDerWaalsContact O-N 3.15Å; Q527-G529 PolarHBondContact O-N 3.39Å
530	F	91.2	Very high	94.3	Very high	61 Å²	61	50.5 Å²	50.5	27%	0.268	28%	0.278	S	S	.	.			trans	-94.2	160.7	175.8	-57.2	-66.9	0	0	0	112.4	I516 L525 D528	I516-F530 HydrophobicContact CD1-CB 3.75Å; I516-F530 HydrophobicContact CD1-CD1 3.41Å; I516-F530 VanDerWaalsContact CD1-CD1 3.41Å; I516-F530 HydrophobicContact CD1-CE1 4.12Å; I516-F530 HydrophobicContact CD1-CG 3.65Å; I516-F530 HydrophobicContact CG1-CD1 3.7Å; I516-F530 HydrophobicContact CG1-CE1 3.91Å; I516-F530 HydrophobicContact CG1-CG 4.34Å; I516-F530 HydrophobicContact CG2-CD1 4.25Å; I516-F530 HydrophobicContact CG2-CD2 4.46Å; I516-F530 HydrophobicContact CG2-CE1 3.96Å; I516-F530 HydrophobicContact CG2-CE2 4.18Å; I516-F530 HydrophobicContact CG2-CG 4.49Å; I516-F530 HydrophobicContact CG2-CZ 3.93Å; L525-F530 HydrophobicContact CB-CB 4.34Å; L525-F530 HydrophobicContact CD2-CB 3.81Å; L525-F530 HydrophobicContact CD2-CD2 3.78Å; L525-F530 HydrophobicContact CD2-CG 4.07Å; L525-F530 WeakPolarHBondContact O-CA 3.49Å; L525-F530 WeakPolarHBondContact O-CB 3.35Å; L525-F530 PolarHBondContact O-N 2.94Å; D528-F530 HydrophobicContact CB-CD2 3.7Å; D528-F530 HydrophobicContact CB-CE2 3.77Å
531	N	89.5	Confident	94.2	Very high	103 Å²	103	48.3 Å²	48.3	55%	0.551	26%	0.262	S	S	*	.			trans	-79.7	134.9	167.1	-169.6	-8.9	0	0	0	108.6	H533	N531-H533 VanDerWaalsContact C-N 3.34Å; N531-H533 WeakPolarHBondContact OD1-CB 3.43Å; N531-H533 PolarHBondContact OD1-N 2.87Å
532	D	90.1	Very high	94	Very high	46 Å²	46	44.9 Å²	44.9	25%	0.246	25%	0.248	C	C	.	.	S	Bend	trans	-84.6	-9.7	175.8	63.5	-18	0	0	0	112.7	V526 I534 R575 V576	V526-D532 HydrophobicContact CG2-CB 3.91Å; D532-I534 PolarHBondContact O-N 2.65Å; D532-I534 VanDerWaalsContact O-N 3.12Å; D532-R575 CarbonylContact O-C 3.58Å; D532-R575 WeakPolarHBondContact O-CA 3.42Å; D532-R575 WeakPolarHBondContact O-CB 3.47Å; D532-V576 VanDerWaalsContact CB-O 3.26Å; D532-V576 WeakPolarHBondContact CB-O 3.21Å; D532-V576 PolarHBondContact O-N 3.42Å
533	H	92.9	Very high	93.8	Very high	77 Å²	77	44.6 Å²	44.6	36%	0.356	25%	0.246	S	C	.	.			trans	-77.1	92	173.1	-161.7	70.8	0	0	0	111.3	N531 D574	N531-H533 VanDerWaalsContact C-N 3.34Å; N531-H533 WeakPolarHBondContact OD1-CB 3.43Å; N531-H533 PolarHBondContact OD1-N 2.87Å; H533-D574 WeakPolarHBondContact CA-O 3.33Å; H533-D574 PolarHBondContact CE1-O 2.76Å; H533-D574 PolarHBondContact ND1-O 3.48Å
534	I	94.6	Very high	93.8	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	23%	0.229	C	C	.	.			trans	-102.5	131.5	-177.7	-56	-54.8	0	0	0	110	L505 D532 S536 V537 V576	L505-I534 HydrophobicContact CB-CD1 4.01Å; L505-I534 HydrophobicContact CB-CG1 4.43Å; L505-I534 HydrophobicContact CB-CG2 4.05Å; L505-I534 HydrophobicContact CD1-CD1 4.2Å; L505-I534 HydrophobicContact CD1-CG1 4.16Å; L505-I534 HydrophobicContact CD2-CG2 4.3Å; D532-I534 PolarHBondContact O-N 2.65Å; D532-I534 VanDerWaalsContact O-N 3.12Å; I534-S536 WeakPolarHBondContact CG2-O 3.24Å; I534-V537 HydrophobicContact CG2-CG2 3.8Å; I534-V576 HydrophobicContact CB-CB 4.44Å; I534-V576 HydrophobicContact CB-CG2 3.96Å; I534-V576 HydrophobicContact CG1-CB 3.91Å; I534-V576 HydrophobicContact CG1-CG2 3.97Å; I534-V576 HydrophobicContact CG2-CG2 4.42Å
535	L	95.8	Very high	93.7	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.168	23%	0.228	C	C	.	.			trans	-110.3	-21.8	-175	-68	-174.3	0	0	0	113.9	F506 G507 L508 E509 N566 W567 P568	F506-L535 PolarHBondContact O-N 2.83Å; G507-L535 WeakPolarHBondContact O-CD1 3.43Å; L508-L535 VanDerWaalsContact C-CB 3.4Å; E509-L535 HydrophobicContact CG-CB 4.15Å; L535-N566 CarbonylContact O-C 3.18Å; L535-N566 WeakPolarHBondContact O-CA 3.49Å; L535-W567 PolarHBondContact O-N 2.79Å; L535-P568 HydrophobicContact CD2-CG 3.76Å
536	S	97	Very high	93.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.3	168.8	61	0	0	0	0	112	F506 L508 L511 I534 I564 T565	F506-S536 VanDerWaalsContact CB-OG 3.27Å; F506-S536 WeakPolarHBondContact CB-OG 3.45Å; F506-S536 PolarHBondContact N-O 2.79Å; F506-S536 PolarHBondContact O-N 2.9Å; L508-S536 WeakPolarHBondContact O-CB 3.18Å; L508-S536 PolarHBondContact O-N 2.81Å; L508-S536 PolarHBondContact O-OG 3.26Å; L511-S536 VanDerWaalsContact CA-OG 3.24Å; L511-S536 WeakPolarHBondContact CA-OG 3.14Å; L511-S536 PolarHBondContact N-OG 2.94Å; I534-S536 WeakPolarHBondContact CG2-O 3.24Å; S536-I564 CarbonylContact C-O 3.57Å; S536-I564 VanDerWaalsContact CA-O 3.3Å; S536-I564 WeakPolarHBondContact CA-O 3.34Å; S536-I564 WeakPolarHBondContact CB-O 3.43Å; S536-T565 WeakPolarHBondContact CB-O 3.36Å
537	V	97.6	Very high	93.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	137.5	-170.2	176.8	0	0	0	0	109.7	V503 L505 I534 L546 L559 I564 W567	V503-V537 HydrophobicContact CG2-CG1 4.21Å; L505-V537 HydrophobicContact CD2-CB 4.23Å; L505-V537 HydrophobicContact CD2-CG1 3.82Å; L505-V537 HydrophobicContact CD2-CG2 3.67Å; I534-V537 HydrophobicContact CG2-CG2 3.8Å; V537-L546 HydrophobicContact CG1-CD2 4.04Å; V537-L546 HydrophobicContact CG2-CD2 4.1Å; V537-L559 HydrophobicContact CG1-CD1 4.12Å; V537-I564 HydrophobicContact CB-CB 4.37Å; V537-I564 PolarHBondContact N-O 2.92Å; V537-I564 PolarHBondContact O-N 2.87Å; V537-W567 HydrophobicContact CB-CE3 4.49Å; V537-W567 HydrophobicContact CG2-CB 4.38Å; V537-W567 HydrophobicContact CG2-CD2 4.16Å; V537-W567 HydrophobicContact CG2-CE3 3.85Å; V537-W567 HydrophobicContact CG2-CG 4.41Å; V537-W567 HydrophobicContact CG2-CZ3 4.5Å
538	R	98.1	Very high	94	Very high	72 Å²	72	32.6 Å²	32.6	27%	0.272	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	120.8	168.7	176.5	-173.6	-70.6	143.8	-4.6	109.3	V503 S504 F506 L511 N540 I562 E563	V503-R538 WeakPolarHBondContact CG2-O 3.17Å; S504-R538 PolarHBondContact N-O 2.95Å; S504-R538 PolarHBondContact O-N 2.83Å; F506-R538 HydrophobicContact CE2-CB 4Å; L511-R538 VanDerWaalsContact CD1-NH2 3.29Å; L511-R538 HydrophobicContact CD2-CB 4.12Å; R538-N540 WeakPolarHBondContact CD-OD1 3.47Å; R538-N540 VanDerWaalsContact CG-OD1 3.28Å; R538-N540 WeakPolarHBondContact CG-OD1 3.41Å; R538-I562 WeakPolarHBondContact CA-O 3.49Å; R538-E563 HydrophobicContact CG-CG 4.05Å; R538-E563 IonicContact CZ-OE1 2.97Å; R538-E563 VanDerWaalsContact CZ-OE1 3.26Å; R538-E563 IonicContact NE-OE1 3.2Å; R538-E563 PolarHBondContact NE-OE1 2.7Å; R538-E563 IonicContact NH2-OE1 3.17Å; R538-E563 PolarHBondContact NH2-OE1 3.2Å
539	V	96.8	Very high	94.1	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	108.3	166	179.1	0	0	0	0	107.8	V503 G542 W544 L559 P561 I562	V503-V539 HydrophobicContact CG2-CG2 4.06Å; V539-G542 WeakPolarHBondContact CG1-O 3.35Å; V539-W544 HydrophobicContact CG1-CG 4.5Å; V539-W544 HydrophobicContact CG2-CB 4.4Å; V539-L559 HydrophobicContact CG2-CB 3.62Å; V539-L559 HydrophobicContact CG2-CD1 4.1Å; V539-P561 WeakPolarHBondContact O-CA 3.4Å; V539-I562 HydrophobicContact CG2-CG2 4.48Å; V539-I562 PolarHBondContact N-O 3.12Å; V539-I562 PolarHBondContact O-N 3Å
540	N	93.2	Very high	94.3	Very high	65 Å²	65	31.4 Å²	31.4	35%	0.348	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-43.6	-176.3	-57.3	-52.1	0	0	0	111	S502 S504 R538	S502-N540 PolarHBondContact O-N 2.85Å; S502-N540 PolarHBondContact OG-ND2 3.03Å; S504-N540 PolarHBondContact OG-ND2 3.37Å; R538-N540 WeakPolarHBondContact CD-OD1 3.47Å; R538-N540 VanDerWaalsContact CG-OD1 3.28Å; R538-N540 WeakPolarHBondContact CG-OD1 3.41Å
541	S	90.5	Very high	94.4	Very high	29 Å²	29	32.4 Å²	32.4	20%	0.203	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	155.9	-176.7	54.4	0	0	0	0	112	V500 P501 S502 W544	V500-S541 WeakPolarHBondContact O-CB 3.35Å; V500-S541 PolarHBondContact O-OG 3.45Å; P501-S541 WeakPolarHBondContact CA-O 3.32Å; S502-S541 WeakPolarHBondContact CB-OG 3.4Å; S502-S541 PolarHBondContact N-O 2.81Å; S502-S541 PolarHBondContact N-OG 2.8Å; S502-S541 PolarHBondContact O-N 2.89Å; S502-S541 VanDerWaalsContact O-N 3.15Å; S541-W544 PolarHBondContact O-NE1 2.87Å
542	G	89.5	Confident	94.6	Very high	5 Å²	5	30.4 Å²	30.4	5%	0.052	15%	0.153	C	C	.	.	S	Bend	trans	69.3	-177.3	-173.7	0	0	0	0	0	113.2	S499 V539 P561	S499-G542 WeakPolarHBondContact OG-CA 3.04Å; S499-G542 PolarHBondContact OG-N 2.78Å; V539-G542 WeakPolarHBondContact CG1-O 3.35Å; G542-P561 WeakPolarHBondContact O-CD 3.09Å
543	C	92.8	Very high	94.6	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.034	17%	0.172	C	C	.	.			trans	-103.8	135.6	171.7	-66.1	0	0	0	0	109.4	V494 L558 L559 P581 V582	V494-C543 HydrophobicContact CG1-CB 4.05Å; C543-L558 HydrophobicContact CB-CD1 4.08Å; C543-L559 WeakPolarHBondContact CA-O 3.32Å; C543-P581 WeakPolarHBondContact O-CA 3.17Å; C543-V582 HydrophobicContact CB-CB 4.16Å; C543-V582 HydrophobicContact CB-CG2 4.09Å; C543-V582 PolarHBondContact O-N 2.94Å
544	W	95.8	Very high	94.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.2	-179.5	-77.4	79.2	0	0	0	111.6	P501 S502 V503 T518 S520 V539 S541 L546 L559 M579 Y580 P581	P501-W544 HydrophobicContact CB-CZ2 3.95Å; S502-W544 PolarHBondContact O-NE1 3.15Å; V503-W544 HydrophobicContact CB-CD2 3.75Å; V503-W544 HydrophobicContact CB-CE3 4.25Å; V503-W544 HydrophobicContact CB-CG 3.97Å; V503-W544 HydrophobicContact CB-CZ2 4.19Å; V503-W544 HydrophobicContact CG1-CD2 3.57Å; V503-W544 HydrophobicContact CG1-CE3 3.56Å; V503-W544 HydrophobicContact CG1-CG 4.29Å; V503-W544 HydrophobicContact CG1-CH2 3.71Å; V503-W544 HydrophobicContact CG1-CZ2 3.72Å; V503-W544 HydrophobicContact CG1-CZ3 3.64Å; T518-W544 HydrophobicContact CG2-CH2 3.93Å; T518-W544 HydrophobicContact CG2-CZ3 4.23Å; T518-W544 WeakPolarHBondContact O-CZ2 3.43Å; S520-W544 WeakPolarHBondContact O-CH2 3.27Å; V539-W544 HydrophobicContact CG1-CG 4.5Å; V539-W544 HydrophobicContact CG2-CB 4.4Å; S541-W544 PolarHBondContact O-NE1 2.87Å; W544-L546 HydrophobicContact CB-CD1 4.1Å; W544-L559 PolarHBondContact N-O 2.82Å; W544-L559 PolarHBondContact O-N 3.33Å; W544-M579 HydrophobicContact CE3-CB 4.37Å; W544-M579 HydrophobicContact CE3-CG 4.03Å; W544-M579 HydrophobicContact CZ3-CG 3.86Å; W544-Y580 VanDerWaalsContact CE3-C 3.42Å; W544-P581 HydrophobicContact CD2-CB 4.15Å; W544-P581 HydrophobicContact CE3-CB 4.32Å; W544-P581 HydrophobicContact CH2-CB 4.24Å; W544-P581 HydrophobicContact CH2-CG 4.2Å; W544-P581 HydrophobicContact CZ2-CB 4.05Å; W544-P581 HydrophobicContact CZ2-CG 4.41Å; W544-P581 HydrophobicContact CZ3-CB 4.37Å; W544-P581 HydrophobicContact CZ3-CG 4.37Å
545	V	95.9	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.5	169.8	-171.2	0	0	0	0	108.5	V468 Q556 F557 L558 M579 Y580 V582	V468-V545 HydrophobicContact CB-CG2 4.12Å; V468-V545 HydrophobicContact CG1-CG2 4.17Å; V468-V545 HydrophobicContact CG2-CG1 4.2Å; V468-V545 HydrophobicContact CG2-CG2 3.72Å; V545-Q556 HydrophobicContact CG1-CB 3.89Å; V545-Q556 HydrophobicContact CG1-CG 4.44Å; V545-F557 WeakPolarHBondContact CA-O 3.43Å; V545-L558 HydrophobicContact CG2-CD1 4.16Å; V545-M579 CarbonylContact O-C 3.57Å; V545-M579 WeakPolarHBondContact O-CA 3.45Å; V545-M579 WeakPolarHBondContact O-CB 3.36Å; V545-Y580 HydrophobicContact CB-CD1 4.12Å; V545-Y580 HydrophobicContact CB-CD2 4.19Å; V545-Y580 HydrophobicContact CB-CE1 3.66Å; V545-Y580 HydrophobicContact CB-CE2 3.73Å; V545-Y580 HydrophobicContact CB-CG 4.38Å; V545-Y580 VanDerWaalsContact CB-CZ 3.45Å; V545-Y580 HydrophobicContact CG1-CE1 3.78Å; V545-Y580 HydrophobicContact CG1-CE2 4.43Å; V545-Y580 HydrophobicContact CG2-CD2 4.21Å; V545-Y580 HydrophobicContact CG2-CE1 4.37Å; V545-Y580 HydrophobicContact CG2-CE2 3.55Å; V545-Y580 PolarHBondContact N-O 3.46Å; V545-Y580 PolarHBondContact O-N 3.03Å; V545-V582 HydrophobicContact CG2-CG2 3.63Å
546	L	96.8	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.4	172	-85.6	62.8	0	0	0	109.1	L505 V537 W544 Q556 F557 L559 W567 V576 M579	L505-L546 HydrophobicContact CD2-CD2 4.05Å; V537-L546 HydrophobicContact CG1-CD2 4.04Å; V537-L546 HydrophobicContact CG2-CD2 4.1Å; W544-L546 HydrophobicContact CB-CD1 4.1Å; L546-Q556 CarbonylContact O-C 3.59Å; L546-Q556 WeakPolarHBondContact O-CA 3.48Å; L546-F557 PolarHBondContact N-O 3.48Å; L546-F557 PolarHBondContact O-N 2.67Å; L546-L559 HydrophobicContact CD1-CD1 4.02Å; L546-L559 HydrophobicContact CD2-CD1 3.98Å; L546-L559 HydrophobicContact CG-CD1 4.48Å; L546-W567 HydrophobicContact CB-CH2 4.1Å; L546-W567 HydrophobicContact CD2-CH2 3.91Å; L546-W567 HydrophobicContact CD2-CZ2 4.35Å; L546-W567 HydrophobicContact CD2-CZ3 4.1Å; L546-V576 HydrophobicContact CB-CG1 4.25Å; L546-V576 HydrophobicContact CD2-CG1 4.16Å; L546-V576 HydrophobicContact CD2-CG2 4.02Å; L546-V576 HydrophobicContact CG-CG1 4.01Å; L546-M579 HydrophobicContact CD1-CB 4.1Å; L546-M579 HydrophobicContact CG-CB 4.14Å
547	C	95.9	Very high	94.2	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.4	-176.6	-63.5	0	0	0	0	110.7	H549 R555 G577 S578	C547-H549 VanDerWaalsContact C-N 3.3Å; C547-H549 PolarHBondContact O-N 3.15Å; C547-R555 WeakPolarHBondContact CA-O 3.36Å; C547-G577 PolarHBondContact O-N 3.24Å; C547-S578 WeakPolarHBondContact CB-OG 3.22Å; C547-S578 PolarHBondContact N-O 2.94Å; C547-S578 PolarHBondContact O-N 3.01Å
548	E	95.1	Very high	94	Very high	34 Å²	34	40 Å²	40	16%	0.159	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	-36.7	-179.2	-177.9	177.4	175.8	0	0	113.4	R555 L573 R575 G577	E548-R555 HydrophobicContact CB-CB 4.39Å; E548-R555 PolarHBondContact N-O 3.37Å; E548-R555 WeakPolarHBondContact OE2-CG 3.44Å; E548-R555 IonicContact OE2-CZ 3.59Å; E548-R555 PolarHBondContact OE2-N 2.7Å; E548-R555 IonicContact OE2-NE 3.26Å; E548-R555 PolarHBondContact OE2-NE 3.4Å; E548-R555 IonicContact OE2-NH2 2.78Å; E548-L573 HydrophobicContact CB-CD1 3.83Å; E548-L573 HydrophobicContact CB-CD2 4.46Å; E548-L573 HydrophobicContact CG-CD1 3.86Å; E548-L573 HydrophobicContact CG-CD2 3.59Å; E548-L573 HydrophobicContact CG-CG 4.4Å; E548-L573 WeakPolarHBondContact OE1-CD2 3.29Å; E548-R575 HydrophobicContact CG-CG 4.46Å; E548-G577 PolarHBondContact O-N 3.06Å
549	H	94.9	Very high	93.9	Very high	84 Å²	84	36.9 Å²	36.9	39%	0.389	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	166.3	-176.9	-56.7	-41.9	0	0	0	111.8	C547 R553 S578	C547-H549 VanDerWaalsContact C-N 3.3Å; C547-H549 PolarHBondContact O-N 3.15Å; H549-R553 HydrophobicContact CB-CB 4.09Å; H549-R553 PolarHBondContact N-O 3.09Å; H549-S578 PolarHBondContact O-N 3.25Å; H549-S578 PolarHBondContact O-OG 2.6Å
550	S	95.7	Very high	93.7	Very high	36 Å²	36	40.1 Å²	40.1	25%	0.252	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	159.4	171.3	-51.7	0	0	0	0	112	S524 Y552	S524-S550 PolarHBondContact OG-OG 2.73Å; S550-Y552 VanDerWaalsContact C-N 3.3Å; S550-Y552 PolarHBondContact O-N 3.29Å
551	N	93.6	Very high	93.7	Very high	82 Å²	82	40.9 Å²	40.9	44%	0.439	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	36.7	179.6	-52.6	-65.6	0	0	0	113.6	T523 R553	T523-N551 PolarHBondContact O-N 3.43Å; N551-R553 VanDerWaalsContact C-N 3.27Å; N551-R553 WeakPolarHBondContact O-CG 3.39Å; N551-R553 PolarHBondContact O-N 2.84Å
552	Y	93	Very high	94	Very high	62 Å²	62	43.1 Å²	43.1	24%	0.243	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	32.7	175.5	-41.1	-50.7	0	0	0	114	E521 T523 S550 S578 Y580	E521-Y552 WeakPolarHBondContact CB-OH 3.21Å; E521-Y552 WeakPolarHBondContact CG-OH 3.42Å; E521-Y552 PolarHBondContact OE2-OH 3.49Å; T523-Y552 HydrophobicContact CG2-CE2 4.22Å; T523-Y552 WeakPolarHBondContact CG2-OH 3.43Å; S550-Y552 VanDerWaalsContact C-N 3.3Å; S550-Y552 PolarHBondContact O-N 3.29Å; Y552-S578 VanDerWaalsContact CA-OG 3.27Å; Y552-S578 WeakPolarHBondContact CA-OG 3.15Å; Y552-S578 PolarHBondContact N-OG 2.8Å; Y552-Y580 AromaticContact CD1-CD1 3.51Å; Y552-Y580 HydrophobicContact CD1-CD1 3.51Å; Y552-Y580 HydrophobicContact CD1-CE1 4.07Å; Y552-Y580 HydrophobicContact CD1-CG 4.49Å; Y552-Y580 AromaticContact CE1-CD1 3.84Å; Y552-Y580 HydrophobicContact CE1-CD1 3.84Å; Y552-Y580 HydrophobicContact CE1-CG 4.44Å; Y552-Y580 HydrophobicContact CG-CD1 4.03Å; Y552-Y580 HydrophobicContact CG-CE1 4.23Å
553	R	90.9	Very high	94.4	Very high	167 Å²	167	48.3 Å²	48.3	63%	0.63	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	165.9	-177.5	-59.1	-175.3	-170.5	176.1	2.9	112.4	H549 N551	H549-R553 HydrophobicContact CB-CB 4.09Å; H549-R553 PolarHBondContact N-O 3.09Å; N551-R553 VanDerWaalsContact C-N 3.27Å; N551-R553 WeakPolarHBondContact O-CG 3.39Å; N551-R553 PolarHBondContact O-N 2.84Å
554	G	90.5	Very high	94.6	Very high	43 Å²	43	48.5 Å²	48.5	44%	0.443	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.8	-160.2	179.7	0	0	0	0	0	111.9
555	R	91.9	Very high	94.7	Very high	78 Å²	78	52.4 Å²	52.4	29%	0.294	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	140.6	178.3	-67.9	-177.6	-78.6	171.8	-15.8	111	N465 C547 E548 F557 S572 L573	N465-R555 WeakPolarHBondContact OD1-CD 3.35Å; N465-R555 WeakPolarHBondContact OD1-CG 3.25Å; C547-R555 WeakPolarHBondContact CA-O 3.36Å; E548-R555 HydrophobicContact CB-CB 4.39Å; E548-R555 PolarHBondContact N-O 3.37Å; E548-R555 WeakPolarHBondContact OE2-CG 3.44Å; E548-R555 IonicContact OE2-CZ 3.59Å; E548-R555 PolarHBondContact OE2-N 2.7Å; E548-R555 IonicContact OE2-NE 3.26Å; E548-R555 PolarHBondContact OE2-NE 3.4Å; E548-R555 IonicContact OE2-NH2 2.78Å; R555-F557 HydrophobicContact CB-CE2 3.99Å; R555-S572 PolarHBondContact NH2-O 3.49Å; R555-L573 HydrophobicContact CB-CD1 4.49Å
556	Q	94.3	Very high	94.7	Very high	24 Å²	24	54 Å²	54	11%	0.112	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145	178	-52	-178.8	1.2	0	0	110.4	M466 V545 L546	M466-Q556 WeakPolarHBondContact O-CB 3.27Å; V545-Q556 HydrophobicContact CG1-CB 3.89Å; V545-Q556 HydrophobicContact CG1-CG 4.44Å; L546-Q556 CarbonylContact O-C 3.59Å; L546-Q556 WeakPolarHBondContact O-CA 3.48Å
557	F	94.6	Very high	94.7	Very high	32 Å²	32	54.1 Å²	54.1	14%	0.14	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	114.1	176.4	-63.8	-97	0	0	0	108.9	V545 L546 R555 L559 W567 F570 S571 L573	V545-F557 WeakPolarHBondContact CA-O 3.43Å; L546-F557 PolarHBondContact N-O 3.48Å; L546-F557 PolarHBondContact O-N 2.67Å; R555-F557 HydrophobicContact CB-CE2 3.99Å; F557-L559 HydrophobicContact CB-CD2 4.3Å; F557-W567 HydrophobicContact CB-CH2 4.04Å; F557-W567 HydrophobicContact CD1-CH2 4.37Å; F557-W567 AromaticContact CD2-CH2 3.93Å; F557-W567 HydrophobicContact CD2-CH2 3.93Å; F557-W567 HydrophobicContact CD2-CZ2 4.15Å; F557-W567 HydrophobicContact CE2-CZ2 4.45Å; F557-W567 AromaticContact CG-CH2 3.84Å; F557-W567 HydrophobicContact CG-CH2 3.84Å; F557-W567 HydrophobicContact CG-CZ2 4.49Å; F557-F570 HydrophobicContact CD1-CE1 4.3Å; F557-S571 WeakPolarHBondContact CZ-O 3.22Å; F557-L573 HydrophobicContact CE2-CD1 3.48Å; F557-L573 VanDerWaalsContact CE2-CD1 3.48Å; F557-L573 HydrophobicContact CZ-CD1 3.98Å
558	L	95.1	Very high	94.7	Very high	15 Å²	15	55.9 Å²	55.9	8%	0.079	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.6	169	178	72.2	0	0	0	109.2	V455 M466 V468 V494 C543 V545 V582	V455-L558 HydrophobicContact CG2-CB 4.3Å; V455-L558 HydrophobicContact CG2-CD2 3.39Å; V455-L558 HydrophobicContact CG2-CG 4.39Å; M466-L558 HydrophobicContact SD-CB 4.22Å; V468-L558 HydrophobicContact CG2-CB 4.23Å; V494-L558 HydrophobicContact CG1-CD1 4.49Å; V494-L558 HydrophobicContact CG1-CD2 4.35Å; V494-L558 HydrophobicContact CG2-CD2 3.77Å; C543-L558 HydrophobicContact CB-CD1 4.08Å; V545-L558 HydrophobicContact CG2-CD1 4.16Å; L558-V582 HydrophobicContact CD1-CG2 3.62Å
559	L	94.9	Very high	94.7	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.1	178.2	-55.3	-176	0	0	0	109.8	V537 V539 C543 W544 L546 F557 I562 I564 W567 F570	V537-L559 HydrophobicContact CG1-CD1 4.12Å; V539-L559 HydrophobicContact CG2-CB 3.62Å; V539-L559 HydrophobicContact CG2-CD1 4.1Å; C543-L559 WeakPolarHBondContact CA-O 3.32Å; W544-L559 PolarHBondContact N-O 2.82Å; W544-L559 PolarHBondContact O-N 3.33Å; L546-L559 HydrophobicContact CD1-CD1 4.02Å; L546-L559 HydrophobicContact CD2-CD1 3.98Å; L546-L559 HydrophobicContact CG-CD1 4.48Å; F557-L559 HydrophobicContact CB-CD2 4.3Å; L559-I562 HydrophobicContact CB-CG2 4.4Å; L559-I564 HydrophobicContact CD1-CD1 3.92Å; L559-I564 HydrophobicContact CD2-CD1 3.96Å; L559-W567 HydrophobicContact CD1-CZ3 4.06Å; L559-F570 HydrophobicContact CD2-CE1 3.96Å; L559-F570 HydrophobicContact CD2-CZ 4.17Å
560	E	93.3	Very high	94.6	Very high	73 Å²	73	63.8 Å²	63.8	34%	0.341	32%	0.319	S	S	.	.			trans	-75.5	171.4	161.3	-68.9	173.7	-118.5	0	0	109.2	K492 I562	K492-E560 WeakPolarHBondContact CE-OE1 3.44Å; K492-E560 IonicContact NZ-OE1 3.28Å; K492-E560 PolarHBondContact NZ-OE1 2.89Å; E560-I562 WeakPolarHBondContact O-CB 3.38Å; E560-I562 WeakPolarHBondContact O-CG2 3.46Å; E560-I562 PolarHBondContact O-N 3.37Å
561	P	93.4	Very high	94.5	Very high	82 Å²	82	62.3 Å²	62.3	53%	0.532	31%	0.308	S	S	.	.	S	Bend	trans	-50.9	112.6	176.2	-29.5	37.5	0	0	0	112.2	V539 G542	V539-P561 WeakPolarHBondContact O-CA 3.4Å; G542-P561 WeakPolarHBondContact O-CD 3.09Å
562	I	95.9	Very high	94.5	Very high	75 Å²	75	62.8 Å²	62.8	39%	0.385	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	150.1	-171.2	-165.4	169	0	0	0	110.9	R538 V539 L559 E560 I564	R538-I562 WeakPolarHBondContact CA-O 3.49Å; V539-I562 HydrophobicContact CG2-CG2 4.48Å; V539-I562 PolarHBondContact N-O 3.12Å; V539-I562 PolarHBondContact O-N 3Å; L559-I562 HydrophobicContact CB-CG2 4.4Å; E560-I562 WeakPolarHBondContact O-CB 3.38Å; E560-I562 WeakPolarHBondContact O-CG2 3.46Å; E560-I562 PolarHBondContact O-N 3.37Å; I562-I564 HydrophobicContact CD1-CG1 4.48Å; I562-I564 HydrophobicContact CG1-CG1 4.43Å; I562-I564 HydrophobicContact CG2-CD1 4.14Å; I562-I564 HydrophobicContact CG2-CG1 4.06Å
563	E	97.6	Very high	94.4	Very high	114 Å²	114	60.2 Å²	60.2	53%	0.533	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.6	168.2	-70.3	-168.4	149.9	0	0	110.4	L511 R538	L511-E563 HydrophobicContact CD1-CB 4.06Å; L511-E563 HydrophobicContact CD1-CG 3.94Å; R538-E563 HydrophobicContact CG-CG 4.05Å; R538-E563 IonicContact CZ-OE1 2.97Å; R538-E563 VanDerWaalsContact CZ-OE1 3.26Å; R538-E563 IonicContact NE-OE1 3.2Å; R538-E563 PolarHBondContact NE-OE1 2.7Å; R538-E563 IonicContact NH2-OE1 3.17Å; R538-E563 PolarHBondContact NH2-OE1 3.2Å
564	I	97.5	Very high	94.2	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.046	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	98	176.8	-57.8	169.8	0	0	0	107.4	S536 V537 L559 I562 N566 W567 F570	S536-I564 CarbonylContact C-O 3.57Å; S536-I564 VanDerWaalsContact CA-O 3.3Å; S536-I564 WeakPolarHBondContact CA-O 3.34Å; S536-I564 WeakPolarHBondContact CB-O 3.43Å; V537-I564 HydrophobicContact CB-CB 4.37Å; V537-I564 PolarHBondContact N-O 2.92Å; V537-I564 PolarHBondContact O-N 2.87Å; L559-I564 HydrophobicContact CD1-CD1 3.92Å; L559-I564 HydrophobicContact CD2-CD1 3.96Å; I562-I564 HydrophobicContact CD1-CG1 4.48Å; I562-I564 HydrophobicContact CG1-CG1 4.43Å; I562-I564 HydrophobicContact CG2-CD1 4.14Å; I562-I564 HydrophobicContact CG2-CG1 4.06Å; I564-N566 VanDerWaalsContact C-N 3.26Å; I564-N566 PolarHBondContact O-N 2.97Å; I564-W567 HydrophobicContact CD1-CE3 4.13Å; I564-W567 HydrophobicContact CD1-CZ3 4.06Å; I564-W567 HydrophobicContact CG2-CE3 4.43Å; I564-F570 HydrophobicContact CD1-CD1 3.84Å; I564-F570 HydrophobicContact CD1-CD2 4.42Å; I564-F570 HydrophobicContact CD1-CE1 3.8Å; I564-F570 HydrophobicContact CD1-CE2 4.38Å; I564-F570 HydrophobicContact CD1-CG 4.16Å; I564-F570 HydrophobicContact CD1-CZ 4.08Å; I564-F570 HydrophobicContact CG2-CB 3.67Å; I564-F570 HydrophobicContact CG2-CD1 4.41Å; I564-F570 HydrophobicContact CG2-CD2 4.4Å; I564-F570 HydrophobicContact CG2-CG 3.92Å
565	T	97.4	Very high	94.3	Very high	82 Å²	82	57.7 Å²	57.7	50%	0.503	29%	0.29	S	S	.	.	S	Bend	trans	-73.1	-16	-177.8	54.4	0	0	0	0	113.9	E509 G510 S536	E509-T565 CarbonylContact C-O 3.59Å; E509-T565 WeakPolarHBondContact CA-O 3.29Å; G510-T565 PolarHBondContact N-O 3.18Å; S536-T565 WeakPolarHBondContact CB-O 3.36Å
566	N	97	Very high	94.5	Very high	35 Å²	35	54 Å²	54	19%	0.187	28%	0.277	C	S	.	.			trans	-143.9	98.4	174.9	-172.2	-51.1	0	0	0	109.9	E509 L535 I564 P568 K569 F570	E509-N566 PolarHBondContact OE1-ND2 3.31Å; E509-N566 PolarHBondContact OE2-ND2 2.98Å; L535-N566 CarbonylContact O-C 3.18Å; L535-N566 WeakPolarHBondContact O-CA 3.49Å; I564-N566 VanDerWaalsContact C-N 3.26Å; I564-N566 PolarHBondContact O-N 2.97Å; N566-P568 WeakPolarHBondContact OD1-CD 3.34Å; N566-K569 HydrophobicContact CB-CB 4.17Å; N566-K569 WeakPolarHBondContact OD1-CB 3.23Å; N566-K569 PolarHBondContact OD1-N 2.95Å; N566-F570 WeakPolarHBondContact O-CB 3.19Å; N566-F570 PolarHBondContact O-N 3.12Å
567	W	96.1	Very high	94.6	Very high	2 Å²	2	53 Å²	53	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-49.8	-178.6	175	-104.3	0	0	0	112.3	L535 V537 L546 F557 L559 I564 K569 F570 S571 R575 V576	L535-W567 PolarHBondContact O-N 2.79Å; V537-W567 HydrophobicContact CB-CE3 4.49Å; V537-W567 HydrophobicContact CG2-CB 4.38Å; V537-W567 HydrophobicContact CG2-CD2 4.16Å; V537-W567 HydrophobicContact CG2-CE3 3.85Å; V537-W567 HydrophobicContact CG2-CG 4.41Å; V537-W567 HydrophobicContact CG2-CZ3 4.5Å; L546-W567 HydrophobicContact CB-CH2 4.1Å; L546-W567 HydrophobicContact CD2-CH2 3.91Å; L546-W567 HydrophobicContact CD2-CZ2 4.35Å; L546-W567 HydrophobicContact CD2-CZ3 4.1Å; F557-W567 HydrophobicContact CB-CH2 4.04Å; F557-W567 HydrophobicContact CD1-CH2 4.37Å; F557-W567 AromaticContact CD2-CH2 3.93Å; F557-W567 HydrophobicContact CD2-CH2 3.93Å; F557-W567 HydrophobicContact CD2-CZ2 4.15Å; F557-W567 HydrophobicContact CE2-CZ2 4.45Å; F557-W567 AromaticContact CG-CH2 3.84Å; F557-W567 HydrophobicContact CG-CH2 3.84Å; F557-W567 HydrophobicContact CG-CZ2 4.49Å; L559-W567 HydrophobicContact CD1-CZ3 4.06Å; I564-W567 HydrophobicContact CD1-CE3 4.13Å; I564-W567 HydrophobicContact CD1-CZ3 4.06Å; I564-W567 HydrophobicContact CG2-CE3 4.43Å; W567-K569 VanDerWaalsContact C-N 3.27Å; W567-K569 PolarHBondContact O-N 2.95Å; W567-F570 HydrophobicContact CE3-CD1 4.15Å; W567-F570 AromaticContact CZ3-CD1 3.96Å; W567-F570 HydrophobicContact CZ3-CD1 3.96Å; W567-F570 HydrophobicContact CZ3-CE1 4.25Å; W567-F570 PolarHBondContact O-N 3.46Å; W567-S571 VanDerWaalsContact CE2-OG 3.26Å; W567-S571 PolarHBondContact NE1-OG 2.82Å; W567-S571 PolarHBondContact O-N 3.45Å; W567-S571 PolarHBondContact O-OG 2.83Å; W567-R575 PolarHBondContact NE1-O 2.92Å; W567-V576 HydrophobicContact CD2-CG2 4.48Å; W567-V576 HydrophobicContact CZ2-CG2 3.91Å
568	P	95.5	Very high	94.7	Very high	39 Å²	39	51.5 Å²	51.5	25%	0.253	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-37.4	-179.3	-26.4	35.2	0	0	0	114.3	L535 N566 S572 L573	L535-P568 HydrophobicContact CD2-CG 3.76Å; N566-P568 WeakPolarHBondContact OD1-CD 3.34Å; P568-S572 WeakPolarHBondContact O-CA 3.4Å; P568-S572 PolarHBondContact O-N 2.94Å; P568-L573 VanDerWaalsContact CA-O 3.24Å; P568-L573 WeakPolarHBondContact CA-O 3.18Å
569	K	95.1	Very high	94.7	Very high	179 Å²	179	50.9 Å²	50.9	78%	0.778	26%	0.262	S	S	*	.	H	α-helix	trans	-68.5	-36.4	175.2	-175.1	178	178.9	-178.6	0	112.4	N566 W567	N566-K569 HydrophobicContact CB-CB 4.17Å; N566-K569 WeakPolarHBondContact OD1-CB 3.23Å; N566-K569 PolarHBondContact OD1-N 2.95Å; W567-K569 VanDerWaalsContact C-N 3.27Å; W567-K569 PolarHBondContact O-N 2.95Å
570	F	94.3	Very high	94.8	Very high	105 Å²	105	52.7 Å²	52.7	46%	0.461	27%	0.269	S	S	.	.	H	α-helix	trans	-74.9	-48.9	-179.9	177.7	-91.3	0	0	0	112.3	F557 L559 I564 N566 W567	F557-F570 HydrophobicContact CD1-CE1 4.3Å; L559-F570 HydrophobicContact CD2-CE1 3.96Å; L559-F570 HydrophobicContact CD2-CZ 4.17Å; I564-F570 HydrophobicContact CD1-CD1 3.84Å; I564-F570 HydrophobicContact CD1-CD2 4.42Å; I564-F570 HydrophobicContact CD1-CE1 3.8Å; I564-F570 HydrophobicContact CD1-CE2 4.38Å; I564-F570 HydrophobicContact CD1-CG 4.16Å; I564-F570 HydrophobicContact CD1-CZ 4.08Å; I564-F570 HydrophobicContact CG2-CB 3.67Å; I564-F570 HydrophobicContact CG2-CD1 4.41Å; I564-F570 HydrophobicContact CG2-CD2 4.4Å; I564-F570 HydrophobicContact CG2-CG 3.92Å; N566-F570 WeakPolarHBondContact O-CB 3.19Å; N566-F570 PolarHBondContact O-N 3.12Å; W567-F570 HydrophobicContact CE3-CD1 4.15Å; W567-F570 AromaticContact CZ3-CD1 3.96Å; W567-F570 HydrophobicContact CZ3-CD1 3.96Å; W567-F570 HydrophobicContact CZ3-CE1 4.25Å; W567-F570 PolarHBondContact O-N 3.46Å
571	S	92.5	Very high	94.8	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.028	26%	0.257	C	S	.	.	H	α-helix	trans	-95.5	-15.8	-170.2	63.9	0	0	0	0	113.9	F557 W567 L573	F557-S571 WeakPolarHBondContact CZ-O 3.22Å; W567-S571 VanDerWaalsContact CE2-OG 3.26Å; W567-S571 PolarHBondContact NE1-OG 2.82Å; W567-S571 PolarHBondContact O-N 3.45Å; W567-S571 PolarHBondContact O-OG 2.83Å; S571-L573 PolarHBondContact O-N 3.36Å; S571-L573 WeakPolarHBondContact OG-CB 3.33Å; S571-L573 PolarHBondContact OG-N 2.7Å; S571-L573 VanDerWaalsContact OG-N 3.07Å; S571-L573 PolarHBondContact OG-O 2.82Å
572	S	93.2	Very high	94.7	Very high	93 Å²	93	46.6 Å²	46.6	65%	0.65	24%	0.236	S	C	*	.	S	Bend	trans	55.2	32.2	-164.4	-51.5	0	0	0	0	112.4	R555 P568	R555-S572 PolarHBondContact NH2-O 3.49Å; P568-S572 WeakPolarHBondContact O-CA 3.4Å; P568-S572 PolarHBondContact O-N 2.94Å
573	L	91	Very high	93.7	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	25%	0.251	C	S	.	.			trans	-129.8	139.1	177.5	-75.8	173.4	0	0	0	111.3	E548 R555 F557 P568 S571 R575	E548-L573 HydrophobicContact CB-CD1 3.83Å; E548-L573 HydrophobicContact CB-CD2 4.46Å; E548-L573 HydrophobicContact CG-CD1 3.86Å; E548-L573 HydrophobicContact CG-CD2 3.59Å; E548-L573 HydrophobicContact CG-CG 4.4Å; E548-L573 WeakPolarHBondContact OE1-CD2 3.29Å; R555-L573 HydrophobicContact CB-CD1 4.49Å; F557-L573 HydrophobicContact CE2-CD1 3.48Å; F557-L573 VanDerWaalsContact CE2-CD1 3.48Å; F557-L573 HydrophobicContact CZ-CD1 3.98Å; P568-L573 VanDerWaalsContact CA-O 3.24Å; P568-L573 WeakPolarHBondContact CA-O 3.18Å; S571-L573 PolarHBondContact O-N 3.36Å; S571-L573 WeakPolarHBondContact OG-CB 3.33Å; S571-L573 PolarHBondContact OG-N 2.7Å; S571-L573 VanDerWaalsContact OG-N 3.07Å; S571-L573 PolarHBondContact OG-O 2.82Å; L573-R575 VanDerWaalsContact C-N 3.3Å
574	D	87.3	Confident	92.5	Very high	67 Å²	67	48.9 Å²	48.9	36%	0.358	24%	0.237	S	C	.	.	S	Bend	trans	-85.8	-4.1	174.1	64.9	-15.5	0	0	0	112.9	H533	H533-D574 WeakPolarHBondContact CA-O 3.33Å; H533-D574 PolarHBondContact CE1-O 2.76Å; H533-D574 PolarHBondContact ND1-O 3.48Å
575	R	91.7	Very high	91.1	Very high	91 Å²	91	53.5 Å²	53.5	34%	0.343	26%	0.257	S	S	.	.			trans	-144.7	159.8	-169.7	72.1	-169.9	73	-160.9	-2.1	114.4	D532 E548 W567 L573	D532-R575 CarbonylContact O-C 3.58Å; D532-R575 WeakPolarHBondContact O-CA 3.42Å; D532-R575 WeakPolarHBondContact O-CB 3.47Å; E548-R575 HydrophobicContact CG-CG 4.46Å; W567-R575 PolarHBondContact NE1-O 2.92Å; L573-R575 VanDerWaalsContact C-N 3.3Å
576	V	96.5	Very high	89.6	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.257	C	S	.	.			trans	-128.6	120.9	164.4	-179.9	0	0	0	0	106.2	L525 D532 I534 L546 W567 M579	L525-V576 HydrophobicContact CD1-CB 4.07Å; L525-V576 HydrophobicContact CD1-CG1 3.99Å; L525-V576 WeakPolarHBondContact CD1-O 3.42Å; D532-V576 VanDerWaalsContact CB-O 3.26Å; D532-V576 WeakPolarHBondContact CB-O 3.21Å; D532-V576 PolarHBondContact O-N 3.42Å; I534-V576 HydrophobicContact CB-CB 4.44Å; I534-V576 HydrophobicContact CB-CG2 3.96Å; I534-V576 HydrophobicContact CG1-CB 3.91Å; I534-V576 HydrophobicContact CG1-CG2 3.97Å; I534-V576 HydrophobicContact CG2-CG2 4.42Å; L546-V576 HydrophobicContact CB-CG1 4.25Å; L546-V576 HydrophobicContact CD2-CG1 4.16Å; L546-V576 HydrophobicContact CD2-CG2 4.02Å; L546-V576 HydrophobicContact CG-CG1 4.01Å; W567-V576 HydrophobicContact CD2-CG2 4.48Å; W567-V576 HydrophobicContact CZ2-CG2 3.91Å; V576-M579 HydrophobicContact CG1-CE 4.12Å
577	G	95.9	Very high	88.4	Confident	2 Å²	2	53 Å²	53	2%	0.021	26%	0.255	C	S	.	.			trans	-97.2	-34.2	-177	0	0	0	0	0	113.6	S524 L525 C547 E548	S524-G577 WeakPolarHBondContact CA-O 3.49Å; L525-G577 PolarHBondContact N-O 2.75Å; C547-G577 PolarHBondContact O-N 3.24Å; E548-G577 PolarHBondContact O-N 3.06Å
578	S	96.9	Very high	87.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	162.2	177.7	57.2	0	0	0	0	111	V522 T523 C547 H549 Y552	V522-S578 VanDerWaalsContact O-CA 3.3Å; V522-S578 WeakPolarHBondContact O-CA 3.32Å; V522-S578 WeakPolarHBondContact O-CB 3.31Å; T523-S578 VanDerWaalsContact O-CB 3.27Å; T523-S578 WeakPolarHBondContact O-CB 3.27Å; C547-S578 WeakPolarHBondContact CB-OG 3.22Å; C547-S578 PolarHBondContact N-O 2.94Å; C547-S578 PolarHBondContact O-N 3.01Å; H549-S578 PolarHBondContact O-N 3.25Å; H549-S578 PolarHBondContact O-OG 2.6Å; Y552-S578 VanDerWaalsContact CA-OG 3.27Å; Y552-S578 WeakPolarHBondContact CA-OG 3.15Å; Y552-S578 PolarHBondContact N-OG 2.8Å
579	M	96.7	Very high	87.4	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	154.2	176.6	73.7	-151.4	74.3	0	0	111.8	V503 L505 T518 E521 V522 L525 W544 V545 L546 V576	V503-M579 HydrophobicContact CG1-SD 3.99Å; L505-M579 HydrophobicContact CD1-CE 3.32Å; L505-M579 HydrophobicContact CD1-SD 3.73Å; L505-M579 HydrophobicContact CG-CE 4.46Å; L505-M579 HydrophobicContact CG-SD 4.3Å; T518-M579 HydrophobicContact CG2-SD 4.15Å; E521-M579 CarbonylContact C-O 3.54Å; E521-M579 WeakPolarHBondContact CA-O 3.36Å; V522-M579 HydrophobicContact CB-CE 4.18Å; V522-M579 HydrophobicContact CB-CG 4.13Å; V522-M579 HydrophobicContact CG1-CE 4.41Å; V522-M579 HydrophobicContact CG2-CE 4.47Å; V522-M579 HydrophobicContact CG2-CG 4.37Å; V522-M579 PolarHBondContact N-O 3.28Å; V522-M579 PolarHBondContact O-N 3.21Å; L525-M579 HydrophobicContact CD1-CE 3.52Å; L525-M579 HydrophobicContact CD2-CE 3.85Å; L525-M579 HydrophobicContact CG-CE 3.69Å; W544-M579 HydrophobicContact CE3-CB 4.37Å; W544-M579 HydrophobicContact CE3-CG 4.03Å; W544-M579 HydrophobicContact CZ3-CG 3.86Å; V545-M579 CarbonylContact O-C 3.57Å; V545-M579 WeakPolarHBondContact O-CA 3.45Å; V545-M579 WeakPolarHBondContact O-CB 3.36Å; L546-M579 HydrophobicContact CD1-CB 4.1Å; L546-M579 HydrophobicContact CG-CB 4.14Å; V576-M579 HydrophobicContact CG1-CE 4.12Å
580	Y	95.6	Very high	87.2	Confident	45 Å²	45	47.3 Å²	47.3	18%	0.176	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.3	175.3	60	-87.3	0	0	0	111.4	W544 V545 Y552	W544-Y580 VanDerWaalsContact CE3-C 3.42Å; V545-Y580 HydrophobicContact CB-CD1 4.12Å; V545-Y580 HydrophobicContact CB-CD2 4.19Å; V545-Y580 HydrophobicContact CB-CE1 3.66Å; V545-Y580 HydrophobicContact CB-CE2 3.73Å; V545-Y580 HydrophobicContact CB-CG 4.38Å; V545-Y580 VanDerWaalsContact CB-CZ 3.45Å; V545-Y580 HydrophobicContact CG1-CE1 3.78Å; V545-Y580 HydrophobicContact CG1-CE2 4.43Å; V545-Y580 HydrophobicContact CG2-CD2 4.21Å; V545-Y580 HydrophobicContact CG2-CE1 4.37Å; V545-Y580 HydrophobicContact CG2-CE2 3.55Å; V545-Y580 PolarHBondContact N-O 3.46Å; V545-Y580 PolarHBondContact O-N 3.03Å; Y552-Y580 AromaticContact CD1-CD1 3.51Å; Y552-Y580 HydrophobicContact CD1-CD1 3.51Å; Y552-Y580 HydrophobicContact CD1-CE1 4.07Å; Y552-Y580 HydrophobicContact CD1-CG 4.49Å; Y552-Y580 AromaticContact CE1-CD1 3.84Å; Y552-Y580 HydrophobicContact CE1-CD1 3.84Å; Y552-Y580 HydrophobicContact CE1-CG 4.44Å; Y552-Y580 HydrophobicContact CG-CD1 4.03Å; Y552-Y580 HydrophobicContact CG-CE1 4.23Å
581	P	94.1	Very high	87.2	Confident	12 Å²	12	42.3 Å²	42.3	8%	0.078	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142.5	171.5	31.3	-32.7	0	0	0	109.9	P501 C543 W544 R583	P501-P581 HydrophobicContact CB-CB 3.53Å; P501-P581 HydrophobicContact CB-CG 4.38Å; P501-P581 HydrophobicContact CG-CB 3.7Å; P501-P581 HydrophobicContact CG-CG 4.06Å; C543-P581 WeakPolarHBondContact O-CA 3.17Å; W544-P581 HydrophobicContact CD2-CB 4.15Å; W544-P581 HydrophobicContact CE3-CB 4.32Å; W544-P581 HydrophobicContact CH2-CB 4.24Å; W544-P581 HydrophobicContact CH2-CG 4.2Å; W544-P581 HydrophobicContact CZ2-CB 4.05Å; W544-P581 HydrophobicContact CZ2-CG 4.41Å; W544-P581 HydrophobicContact CZ3-CB 4.37Å; W544-P581 HydrophobicContact CZ3-CG 4.37Å; P581-R583 PolarHBondContact O-N 3.39Å
582	V	90	Very high	87.3	Confident	15 Å²	15	45.3 Å²	45.3	9%	0.091	22%	0.215	C	C	.	.			trans	-70.8	100.3	171.9	-176.8	0	0	0	0	108.2	S453 V468 V494 C543 V545 L558 Q584	S453-V582 WeakPolarHBondContact OG-CG1 3.5Å; V468-V582 HydrophobicContact CG1-CG2 4.25Å; V494-V582 HydrophobicContact CG1-CG1 4.18Å; C543-V582 HydrophobicContact CB-CB 4.16Å; C543-V582 HydrophobicContact CB-CG2 4.09Å; C543-V582 PolarHBondContact O-N 2.94Å; V545-V582 HydrophobicContact CG2-CG2 3.63Å; L558-V582 HydrophobicContact CD1-CG2 3.62Å; V582-Q584 PolarHBondContact O-N 3.01Å
583	R	76.8	Confident	87.4	Confident	184 Å²	184	40.9 Å²	40.9	69%	0.694	19%	0.185	S	C	*	.	P	Polyproline II helix	trans	-68.3	117.9	-179.7	-62	-172.4	-173.5	-156.2	4.4	109.8	E521 P581	E521-R583 IonicContact OE1-CZ 2.74Å; E521-R583 IonicContact OE1-NH2 3.21Å; E521-R583 PolarHBondContact OE1-NH2 2.9Å; P581-R583 PolarHBondContact O-N 3.39Å
584	Q	71.3	Confident	87.4	Confident	53 Å²	53	45.1 Å²	45.1	25%	0.248	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-86.6	128.5	170.6	-67.5	171.1	2.4	0	0	107.8	P495 M496 T497 V582	P495-Q584 PolarHBondContact O-NE2 2.86Å; M496-Q584 HydrophobicContact CE-CB 3.66Å; M496-Q584 HydrophobicContact CE-CG 4.26Å; M496-Q584 HydrophobicContact SD-CB 3.64Å; M496-Q584 HydrophobicContact SD-CG 3.65Å; M496-Q584 PolarHBondContact SD-OE1 2.95Å; T497-Q584 PolarHBondContact O-OE1 2.81Å; V582-Q584 PolarHBondContact O-N 3.01Å
585	K	68.7	Low	87.5	Confident	106 Å²	106	46.9 Å²	46.9	46%	0.461	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-57.9	145.2	175.1	-80	-172.1	-169.8	156.7	0	109.7	E471 H587	E471-K585 VanDerWaalsContact OE2-CD 3.32Å; E471-K585 WeakPolarHBondContact OE2-CD 3.45Å; E471-K585 WeakPolarHBondContact OE2-CE 3.43Å; E471-K585 IonicContact OE2-NZ 2.87Å; E471-K585 PolarHBondContact OE2-NZ 3.33Å; K585-H587 PolarHBondContact O-CE1 3.01Å; K585-H587 PolarHBondContact O-N 3.26Å; K585-H587 VanDerWaalsContact O-N 3.17Å; K585-H587 PolarHBondContact O-ND1 3.39Å
586	C	65.4	Low	87.4	Confident	76 Å²	76	45.1 Å²	45.1	51%	0.514	21%	0.21	S	C	.	.			trans	-64.9	116	173	-168.4	0	0	0	0	107.8
587	H	71.4	Confident	87.1	Confident	29 Å²	29	46.5 Å²	46.5	13%	0.134	23%	0.225	C	C	.	.			trans	-111	141.4	174.5	-68.5	82.6	0	0	0	108	K585 F589 L718	K585-H587 PolarHBondContact O-CE1 3.01Å; K585-H587 PolarHBondContact O-N 3.26Å; K585-H587 VanDerWaalsContact O-N 3.17Å; K585-H587 PolarHBondContact O-ND1 3.39Å; H587-F589 WeakPolarHBondContact O-CD1 3.42Å; H587-L718 HydrophobicContact CB-CD2 3.93Å
588	F	84.2	Confident	87	Confident	37 Å²	37	49 Å²	49	16%	0.162	24%	0.235	C	C	.	.			trans	-68.9	144.3	161	-69.4	-70.4	0	0	0	108.9	D314 I626 W627 F628 K637 L719	D314-F588 HydrophobicContact CB-CE2 3.93Å; D314-F588 HydrophobicContact CB-CZ 4.21Å; F588-I626 HydrophobicContact CB-CG2 3.85Å; F588-I626 HydrophobicContact CD1-CG2 3.65Å; F588-I626 HydrophobicContact CG-CG2 4.01Å; F588-W627 CarbonylContact C-O 3.6Å; F588-W627 VanDerWaalsContact CA-O 3.31Å; F588-W627 WeakPolarHBondContact CA-O 3.33Å; F588-F628 HydrophobicContact CD1-CB 3.98Å; F588-F628 HydrophobicContact CD1-CD1 4.37Å; F588-F628 HydrophobicContact CE1-CB 4.13Å; F588-F628 AromaticContact CE1-CD1 3.91Å; F588-F628 HydrophobicContact CE1-CD1 3.91Å; F588-F628 HydrophobicContact CE1-CG 4.27Å; F588-K637 HydrophobicContact CD1-CB 4.48Å; F588-K637 HydrophobicContact CD1-CD 4.16Å; F588-K637 HydrophobicContact CE1-CB 4.17Å; F588-K637 HydrophobicContact CE1-CD 3.8Å; F588-K637 HydrophobicContact CE1-CG 4.08Å; F588-K637 HydrophobicContact CZ-CD 4.08Å; F588-L719 HydrophobicContact CB-CB 4.21Å; F588-L719 HydrophobicContact CB-CD1 4.19Å; F588-L719 PolarHBondContact O-N 3.39Å
589	F	87.4	Confident	86.9	Confident	3 Å²	3	50.2 Å²	50.2	1%	0.013	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	156.1	178.6	58.5	-96.2	0	0	0	111.6	L498 H587 V591 W627 I634 I716 Q717 L718	L498-F589 HydrophobicContact CD1-CE1 3.82Å; L498-F589 HydrophobicContact CD1-CE2 4.28Å; L498-F589 HydrophobicContact CD1-CZ 3.62Å; H587-F589 WeakPolarHBondContact O-CD1 3.42Å; F589-V591 HydrophobicContact CD2-CG2 3.59Å; F589-V591 HydrophobicContact CE2-CG2 3.46Å; F589-V591 VanDerWaalsContact CE2-CG2 3.46Å; F589-W627 HydrophobicContact CD2-CB 3.91Å; F589-W627 HydrophobicContact CE2-CB 3.5Å; F589-W627 VanDerWaalsContact CE2-CB 3.5Å; F589-W627 HydrophobicContact CE2-CG 4.39Å; F589-W627 HydrophobicContact CZ-CB 3.85Å; F589-W627 PolarHBondContact N-O 2.92Å; F589-W627 PolarHBondContact O-N 3.17Å; F589-I634 HydrophobicContact CZ-CG2 4.35Å; F589-I716 HydrophobicContact CB-CG2 3.7Å; F589-I716 HydrophobicContact CD1-CG2 4.4Å; F589-I716 HydrophobicContact CD2-CG2 3.82Å; F589-I716 HydrophobicContact CG-CG2 3.73Å; F589-Q717 CarbonylContact C-O 3.54Å; F589-Q717 WeakPolarHBondContact CA-O 3.38Å; F589-Q717 WeakPolarHBondContact CB-O 3.37Å; F589-L718 HydrophobicContact CB-CD2 4.16Å
590	R	91.4	Very high	86.8	Confident	61 Å²	61	50.2 Å²	50.2	23%	0.23	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	147.4	164.6	-59.1	175.4	74.6	-176.2	8.4	108.6	F599 D625 Q717 L719	R590-F599 HydrophobicContact CB-CD1 3.76Å; R590-F599 HydrophobicContact CB-CE1 3.81Å; R590-F599 VanDerWaalsContact NH2-CD2 3.29Å; R590-D625 IonicContact CZ-OD2 2.9Å; R590-D625 IonicContact NE-OD2 3.47Å; R590-D625 PolarHBondContact NE-OD2 3.31Å; R590-D625 IonicContact NH2-OD2 3.5Å; R590-D625 PolarHBondContact NH2-OD2 3.35Å; R590-Q717 HydrophobicContact CB-CB 4.45Å; R590-Q717 PolarHBondContact N-O 3.13Å; R590-Q717 PolarHBondContact O-N 2.9Å; R590-L719 HydrophobicContact CG-CD1 4.02Å; R590-L719 HydrophobicContact CG-CD2 3.98Å; R590-L719 HydrophobicContact CG-CG 4.21Å
591	V	93.6	Very high	86.7	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.4	175.6	-172.4	0	0	0	0	108.1	F589 F599 L600 I677 W714	F589-V591 HydrophobicContact CD2-CG2 3.59Å; F589-V591 HydrophobicContact CE2-CG2 3.46Å; F589-V591 VanDerWaalsContact CE2-CG2 3.46Å; V591-F599 WeakPolarHBondContact O-CA 3.38Å; V591-L600 HydrophobicContact CB-CB 3.78Å; V591-L600 HydrophobicContact CB-CD2 4.07Å; V591-L600 HydrophobicContact CG1-CB 4.37Å; V591-L600 HydrophobicContact CG1-CD2 4.41Å; V591-L600 HydrophobicContact CG2-CD2 4.12Å; V591-L600 PolarHBondContact O-N 2.84Å; V591-I677 HydrophobicContact CG1-CD1 3.69Å; V591-W714 HydrophobicContact CG1-CB 3.95Å; V591-W714 HydrophobicContact CG1-CD2 4.2Å; V591-W714 HydrophobicContact CG1-CE3 3.69Å; V591-W714 HydrophobicContact CG1-CG 4.35Å; V591-W714 HydrophobicContact CG1-CZ3 4.49Å
592	K	94.1	Very high	86.6	Confident	66 Å²	66	47.6 Å²	47.6	29%	0.287	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.8	179.9	-171.8	177.1	179.2	-179.5	0	110.1	G597 H598 F599 W714 E715	K592-G597 VanDerWaalsContact CE-O 3.28Å; K592-G597 WeakPolarHBondContact CE-O 3.34Å; K592-H598 WeakPolarHBondContact CA-O 3.04Å; K592-F599 HydrophobicContact CB-CD1 3.99Å; K592-F599 HydrophobicContact CB-CE1 3.74Å; K592-F599 HydrophobicContact CB-CZ 4.4Å; K592-F599 HydrophobicContact CD-CE1 4.3Å; K592-F599 HydrophobicContact CD-CZ 4.15Å; K592-F599 HydrophobicContact CG-CD1 4.43Å; K592-F599 HydrophobicContact CG-CE1 4.12Å; K592-F599 HydrophobicContact CG-CZ 4.32Å; K592-W714 CarbonylContact O-C 3.54Å; K592-W714 WeakPolarHBondContact O-CA 3.33Å; K592-E715 HydrophobicContact CB-CB 4.44Å; K592-E715 PolarHBondContact N-O 2.66Å; K592-E715 PolarHBondContact O-N 2.96Å
593	N	94.6	Very high	86.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.1	169.3	179.2	-103.6	0	0	0	109.7	E595 S596 G597 H598 Q712 W714	N593-E595 PolarHBondContact ND2-OE2 2.98Å; N593-E595 PolarHBondContact OD1-N 2.87Å; N593-E595 PolarHBondContact OD1-OE2 2.98Å; N593-S596 WeakPolarHBondContact CB-OG 3.38Å; N593-S596 WeakPolarHBondContact OD1-CB 3.21Å; N593-S596 PolarHBondContact OD1-N 3.23Å; N593-S596 PolarHBondContact OD1-OG 3.46Å; N593-G597 WeakPolarHBondContact O-CA 3.15Å; N593-G597 PolarHBondContact O-N 2.98Å; N593-H598 PolarHBondContact N-O 2.78Å; N593-Q712 PolarHBondContact ND2-OE1 2.88Å; N593-W714 HydrophobicContact CB-CE3 3.8Å; N593-W714 HydrophobicContact CB-CH2 4.15Å; N593-W714 HydrophobicContact CB-CZ3 3.57Å
594	K	92.5	Very high	86	Confident	96 Å²	96	42.9 Å²	42.9	42%	0.417	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-32.8	-175.4	-75.4	-165.8	175	-178.1	0	112.8	Q713 E715	K594-Q713 HydrophobicContact CB-CB 4.13Å; K594-Q713 WeakPolarHBondContact CB-O 3.37Å; K594-Q713 HydrophobicContact CD-CB 3.94Å; K594-Q713 HydrophobicContact CG-CB 4.23Å; K594-Q713 PolarHBondContact N-O 3.05Å; K594-E715 HydrophobicContact CG-CB 4.4Å
595	E	89.1	Confident	85.7	Confident	104 Å²	104	42.4 Å²	42.4	49%	0.486	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-44.3	-175.5	-62.3	77.7	-167.3	0	0	112.4	N593 Q712 Q713	N593-E595 PolarHBondContact ND2-OE2 2.98Å; N593-E595 PolarHBondContact OD1-N 2.87Å; N593-E595 PolarHBondContact OD1-OE2 2.98Å; E595-Q712 WeakPolarHBondContact OE1-CA 3.45Å; E595-Q713 PolarHBondContact OE1-N 3.41Å; E595-Q713 PolarHBondContact OE2-N 2.69Å
596	S	89.3	Confident	85.4	Confident	54 Å²	54	38.1 Å²	38.1	38%	0.378	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-22.3	-179.4	60.9	0	0	0	0	113.8	N593 H598	N593-S596 WeakPolarHBondContact CB-OG 3.38Å; N593-S596 WeakPolarHBondContact OD1-CB 3.21Å; N593-S596 PolarHBondContact OD1-N 3.23Å; N593-S596 PolarHBondContact OD1-OG 3.46Å; S596-H598 PolarHBondContact O-CD2 2.86Å; S596-H598 PolarHBondContact O-N 2.79Å; S596-H598 WeakPolarHBondContact OG-CB 3.22Å; S596-H598 PolarHBondContact OG-N 2.74Å
597	G	90.1	Very high	85.1	Confident	30 Å²	30	43.9 Å²	43.9	31%	0.309	24%	0.237	S	C	.	.			trans	73	2.1	-169.5	0	0	0	0	0	114.3	K592 N593	K592-G597 VanDerWaalsContact CE-O 3.28Å; K592-G597 WeakPolarHBondContact CE-O 3.34Å; N593-G597 WeakPolarHBondContact O-CA 3.15Å; N593-G597 PolarHBondContact O-N 2.98Å
598	H	93.7	Very high	84.4	Confident	53 Å²	53	51.3 Å²	51.3	25%	0.245	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-78.7	161	179.7	-66	-176.2	0	0	0	112	K592 N593 S596 A616 A617	K592-H598 WeakPolarHBondContact CA-O 3.04Å; N593-H598 PolarHBondContact N-O 2.78Å; S596-H598 PolarHBondContact O-CD2 2.86Å; S596-H598 PolarHBondContact O-N 2.79Å; S596-H598 WeakPolarHBondContact OG-CB 3.22Å; S596-H598 PolarHBondContact OG-N 2.74Å; H598-A616 HydrophobicContact CB-CB 4.19Å; H598-A616 PolarHBondContact ND1-O 3.49Å; H598-A616 VanDerWaalsContact ND1-O 3.11Å; H598-A617 WeakPolarHBondContact CB-O 3.18Å
599	F	94.1	Very high	83.2	Confident	27 Å²	27	54.2 Å²	54.2	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.1	176.7	-70.4	-82.4	0	0	0	111.7	R590 V591 K592 S601 A616 A617 V620 D625	R590-F599 HydrophobicContact CB-CD1 3.76Å; R590-F599 HydrophobicContact CB-CE1 3.81Å; R590-F599 VanDerWaalsContact NH2-CD2 3.29Å; V591-F599 WeakPolarHBondContact O-CA 3.38Å; K592-F599 HydrophobicContact CB-CD1 3.99Å; K592-F599 HydrophobicContact CB-CE1 3.74Å; K592-F599 HydrophobicContact CB-CZ 4.4Å; K592-F599 HydrophobicContact CD-CE1 4.3Å; K592-F599 HydrophobicContact CD-CZ 4.15Å; K592-F599 HydrophobicContact CG-CD1 4.43Å; K592-F599 HydrophobicContact CG-CE1 4.12Å; K592-F599 HydrophobicContact CG-CZ 4.32Å; F599-S601 PolarHBondContact O-N 3.45Å; F599-A616 CarbonylContact O-C 3.6Å; F599-A616 WeakPolarHBondContact O-CA 3.39Å; F599-A617 PolarHBondContact N-O 2.92Å; F599-A617 PolarHBondContact O-N 3.44Å; F599-V620 HydrophobicContact CB-CG1 4.26Å; F599-D625 HydrophobicContact CB-CB 4.3Å
600	L	95.6	Very high	82.5	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	119.6	167.1	-172.6	70.1	0	0	0	108.7	V591 V614 V615 D625 W627 L644 V700 W714	V591-L600 HydrophobicContact CB-CB 3.78Å; V591-L600 HydrophobicContact CB-CD2 4.07Å; V591-L600 HydrophobicContact CG1-CB 4.37Å; V591-L600 HydrophobicContact CG1-CD2 4.41Å; V591-L600 HydrophobicContact CG2-CD2 4.12Å; V591-L600 PolarHBondContact O-N 2.84Å; L600-V614 HydrophobicContact CD1-CG1 3.55Å; L600-V614 HydrophobicContact CG-CG1 4.17Å; L600-V615 CarbonylContact C-O 3.58Å; L600-V615 WeakPolarHBondContact CA-O 3.15Å; L600-D625 WeakPolarHBondContact O-CA 3.49Å; L600-D625 WeakPolarHBondContact O-CB 3.04Å; L600-W627 HydrophobicContact CD2-CD2 4.27Å; L600-W627 HydrophobicContact CD2-CH2 4.43Å; L600-W627 HydrophobicContact CD2-CZ2 3.88Å; L600-W627 HydrophobicContact CG-CH2 4.49Å; L600-W627 HydrophobicContact CG-CZ2 3.68Å; L600-W627 PolarHBondContact O-NE1 3Å; L600-L644 HydrophobicContact CD2-CD1 4.27Å; L600-V700 HydrophobicContact CD1-CB 4.34Å; L600-V700 HydrophobicContact CD1-CG1 4.32Å; L600-V700 HydrophobicContact CD1-CG2 3.48Å; L600-V700 VanDerWaalsContact CD1-CG2 3.48Å; L600-W714 HydrophobicContact CB-CZ3 4.37Å; L600-W714 HydrophobicContact CD1-CH2 4.39Å; L600-W714 HydrophobicContact CD1-CZ3 4.41Å
601	S	94.1	Very high	82.1	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.6	-176.8	66.3	0	0	0	0	112.3	F599 V614 V615 S624	F599-S601 PolarHBondContact O-N 3.45Å; S601-V614 WeakPolarHBondContact O-CA 3.27Å; S601-V615 PolarHBondContact N-O 3.08Å; S601-V615 PolarHBondContact O-N 3.29Å; S601-S624 WeakPolarHBondContact CA-O 3.44Å
602	V	91.7	Very high	81.8	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.4	176.4	-173.7	0	0	0	0	109.1	V606 R613 S624 W627 N636 L658	V602-V606 HydrophobicContact CG1-CG2 3.54Å; V602-R613 CarbonylContact C-O 3.58Å; V602-R613 WeakPolarHBondContact CA-O 2.97Å; V602-S624 PolarHBondContact N-O 3.25Å; V602-S624 WeakPolarHBondContact O-CB 3.28Å; V602-W627 HydrophobicContact CG2-CH2 3.47Å; V602-W627 VanDerWaalsContact CG2-CH2 3.47Å; V602-W627 HydrophobicContact CG2-CZ2 3.74Å; V602-W627 HydrophobicContact CG2-CZ3 4.36Å; V602-N636 HydrophobicContact CG2-CB 4.11Å; V602-N636 WeakPolarHBondContact CG2-ND2 3.41Å; V602-L658 HydrophobicContact CG1-CB 4.42Å; V602-L658 HydrophobicContact CG1-CD2 4.12Å; V602-L658 HydrophobicContact CG2-CB 4.44Å; V602-L658 HydrophobicContact CG2-CD2 4.04Å
603	Q	86.3	Confident	81.7	Confident	60 Å²	60	62 Å²	62	28%	0.28	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.9	176.3	-72.9	-176.8	-10.4	0	0	111.2	R613 V615	Q603-R613 PolarHBondContact N-O 3.3Å; Q603-R613 WeakPolarHBondContact O-CB 3.37Å; Q603-R613 PolarHBondContact O-N 2.99Å; Q603-R613 VanDerWaalsContact O-N 3.08Å; Q603-V615 HydrophobicContact CG-CG2 3.79Å
604	G	68	Low	81.7	Confident	41 Å²	41	62 Å²	62	42%	0.423	33%	0.326	S	S	.	.	S	Bend	trans	95.3	62.1	165.9	0	0	0	0	0	115.6	V606 L609	G604-V606 PolarHBondContact O-N 2.9Å; G604-L609 WeakPolarHBondContact O-CD1 3.36Å
605	G	63.9	Low	81.7	Confident	42 Å²	42	57.4 Å²	57.4	43%	0.433	31%	0.306	S	S	.	.			trans	52.1	61.9	160.9	0	0	0	0	0	114.9	E607 E608 L609	G605-E607 PolarHBondContact O-N 2.95Å; G605-E607 VanDerWaalsContact O-N 3.11Å; G605-E608 PolarHBondContact O-N 2.85Å; G605-L609 PolarHBondContact O-N 3Å; G605-L609 VanDerWaalsContact O-N 3.17Å
606	V	63.7	Low	82	Confident	16 Å²	16	52.6 Å²	52.6	10%	0.097	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.4	-176	-164.3	0	0	0	0	112.7	V602 G604 E608 S639 M642 L658	V602-V606 HydrophobicContact CG1-CG2 3.54Å; G604-V606 PolarHBondContact O-N 2.9Å; V606-E608 VanDerWaalsContact C-N 3.35Å; V606-S639 WeakPolarHBondContact CG1-OG 3.37Å; V606-M642 HydrophobicContact CG1-CE 4.08Å; V606-M642 HydrophobicContact CG1-SD 3.96Å; V606-L658 HydrophobicContact CG1-CD2 4.31Å
607	E	58.2	Low	82	Confident	198 Å²	198	50.2 Å²	50.2	93%	0.925	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-28.8	175.6	-63.1	-166.9	164.7	0	0	113.5	G605	G605-E607 PolarHBondContact O-N 2.95Å; G605-E607 VanDerWaalsContact O-N 3.11Å
608	E	57.5	Low	81.8	Confident	184 Å²	184	52.2 Å²	52.2	86%	0.86	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-27	-179.2	-65.5	-175.4	171.1	0	0	112.9	G605 V606	G605-E608 PolarHBondContact O-N 2.85Å; V606-E608 VanDerWaalsContact C-N 3.35Å
609	L	58.7	Low	81.1	Confident	99 Å²	99	58.1 Å²	58.1	52%	0.518	31%	0.308	S	S	.	.	S	Bend	trans	-102.8	141.7	-176.7	-65.1	-179.8	0	0	0	112	G604 G605 S611	G604-L609 WeakPolarHBondContact O-CD1 3.36Å; G605-L609 PolarHBondContact O-N 3Å; G605-L609 VanDerWaalsContact O-N 3.17Å; L609-S611 WeakPolarHBondContact CB-O 3.45Å; L609-S611 PolarHBondContact O-N 3.27Å
610	K	72.7	Confident	80.6	Confident	174 Å²	174	58.8 Å²	58.8	76%	0.757	32%	0.315	S	S	*	.	S	Bend	trans	-64.9	2.6	172.1	-63.4	-174	178.4	-178.7	0	113.7	W659	K610-W659 HydrophobicContact CB-CH2 4.31Å; K610-W659 HydrophobicContact CB-CZ2 4.16Å
611	S	83.3	Confident	79.8	Confident	35 Å²	35	64.1 Å²	64.1	25%	0.245	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	140.3	-173.3	70.8	0	0	0	0	113.6	L609 L658 W659	L609-S611 WeakPolarHBondContact CB-O 3.45Å; L609-S611 PolarHBondContact O-N 3.27Å; S611-L658 CarbonylContact C-O 3.6Å; S611-L658 VanDerWaalsContact CA-O 3.24Å; S611-L658 WeakPolarHBondContact CA-O 3.33Å; S611-W659 WeakPolarHBondContact OG-CZ3 3.33Å
612	G	87.3	Confident	79	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.01	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.3	171.7	0	0	0	0	0	112.4	L658	G612-L658 PolarHBondContact N-O 3.2Å; G612-L658 PolarHBondContact O-N 3.07Å
613	R	90.8	Very high	78.5	Confident	85 Å²	85	73.2 Å²	73.2	32%	0.321	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.3	172.2	-180	-172.7	165.1	173.6	-2.9	109.1	V602 Q603 V615 H699	V602-R613 CarbonylContact C-O 3.58Å; V602-R613 WeakPolarHBondContact CA-O 2.97Å; Q603-R613 PolarHBondContact N-O 3.3Å; Q603-R613 WeakPolarHBondContact O-CB 3.37Å; Q603-R613 PolarHBondContact O-N 2.99Å; Q603-R613 VanDerWaalsContact O-N 3.08Å; R613-V615 HydrophobicContact CG-CG1 3.99Å; R613-H699 PolarHBondContact NE-CE1 3.2Å; R613-H699 PolarHBondContact NE-ND1 2.82Å; R613-H699 PolarHBondContact NE-NE2 2.68Å; R613-H699 VanDerWaalsContact NE-NE2 3.14Å; R613-H699 PolarHBondContact NH2-CE1 3.16Å; R613-H699 PolarHBondContact NH2-ND1 2.62Å; R613-H699 VanDerWaalsContact NH2-ND1 3.1Å
614	V	94.3	Very high	78.6	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126	-179.8	-177	0	0	0	0	110.3	L600 S601 W627 L644 V657 L658 V700	L600-V614 HydrophobicContact CD1-CG1 3.55Å; L600-V614 HydrophobicContact CG-CG1 4.17Å; S601-V614 WeakPolarHBondContact O-CA 3.27Å; V614-W627 HydrophobicContact CG1-CH2 4.25Å; V614-W627 HydrophobicContact CG1-CZ2 4.48Å; V614-W627 HydrophobicContact CG2-CH2 4.28Å; V614-L644 HydrophobicContact CB-CD2 4.39Å; V614-L644 HydrophobicContact CG1-CD2 3.94Å; V614-L644 HydrophobicContact CG2-CD2 3.72Å; V614-V657 VanDerWaalsContact CG2-C 3.48Å; V614-L658 HydrophobicContact CG2-CB 4.09Å; V614-V700 HydrophobicContact CG1-CB 4.09Å; V614-V700 HydrophobicContact CG1-CG2 4.11Å; V614-V700 PolarHBondContact O-N 3.08Å; V614-V700 VanDerWaalsContact O-N 3.12Å
615	V	94.4	Very high	79.7	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	165.5	-174.3	-61.1	0	0	0	0	111.7	L600 S601 Q603 R613 A617 E698	L600-V615 CarbonylContact C-O 3.58Å; L600-V615 WeakPolarHBondContact CA-O 3.15Å; S601-V615 PolarHBondContact N-O 3.08Å; S601-V615 PolarHBondContact O-N 3.29Å; Q603-V615 HydrophobicContact CG-CG2 3.79Å; R613-V615 HydrophobicContact CG-CG1 3.99Å; V615-A617 HydrophobicContact CG2-CB 4.17Å; V615-E698 CarbonylContact C-O 3.49Å; V615-E698 WeakPolarHBondContact CA-O 3.27Å; V615-E698 HydrophobicContact CB-CB 4.49Å; V615-E698 WeakPolarHBondContact CB-O 3.35Å
616	A	94.1	Very high	81	Confident	2 Å²	2	68.2 Å²	68.2	2%	0.017	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	103.4	165.8	0	0	0	0	0	110.1	H598 F599 V689 E698 W714	H598-A616 HydrophobicContact CB-CB 4.19Å; H598-A616 PolarHBondContact ND1-O 3.49Å; H598-A616 VanDerWaalsContact ND1-O 3.11Å; F599-A616 CarbonylContact O-C 3.6Å; F599-A616 WeakPolarHBondContact O-CA 3.39Å; A616-V689 HydrophobicContact CB-CG1 4.45Å; A616-V689 HydrophobicContact CB-CG2 3.6Å; A616-E698 PolarHBondContact N-O 3.23Å; A616-W714 HydrophobicContact CB-CH2 4.46Å
617	A	90.1	Very high	82.3	Confident	5 Å²	5	67.5 Å²	67.5	4%	0.041	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.7	-172.6	0	0	0	0	0	113.6	H598 F599 V615 E619 V620	H598-A617 WeakPolarHBondContact CB-O 3.18Å; F599-A617 PolarHBondContact N-O 2.92Å; F599-A617 PolarHBondContact O-N 3.44Å; V615-A617 HydrophobicContact CG2-CB 4.17Å; A617-E619 WeakPolarHBondContact CB-O 3.02Å; A617-V620 HydrophobicContact CB-CG1 4.49Å
618	A	84.8	Confident	83.9	Confident	71 Å²	71	59 Å²	59	59%	0.587	31%	0.305	S	S	*	.	S	Bend	trans	-77.5	-44.4	173.8	0	0	0	0	0	111.8
619	E	80.1	Confident	85.4	Confident	177 Å²	177	51.9 Å²	51.9	83%	0.827	27%	0.271	S	S	*	.	S	Bend	trans	-100.8	128.9	174.5	-67.8	177.5	-172.4	0	0	108.8	A617	A617-E619 WeakPolarHBondContact CB-O 3.02Å
620	V	82.5	Confident	86.8	Confident	42 Å²	42	51.1 Å²	51.1	26%	0.255	26%	0.264	S	S	.	.			trans	-124.7	136.2	-173.9	-66.1	0	0	0	0	109	F599 A617 D625	F599-V620 HydrophobicContact CB-CG1 4.26Å; A617-V620 HydrophobicContact CB-CG1 4.49Å; V620-D625 HydrophobicContact CB-CB 4.09Å; V620-D625 HydrophobicContact CG1-CB 3.93Å; V620-D625 HydrophobicContact CG2-CB 4.31Å
621	E	79.8	Confident	87.4	Confident	113 Å²	113	49.7 Å²	49.7	53%	0.528	26%	0.26	S	S	.	.			trans	-63.4	147.3	169	-69.1	175.4	-176.4	0	0	108.8	L623 S624	E621-L623 PolarHBondContact O-N 3.07Å; E621-S624 PolarHBondContact N-OG 2.9Å; E621-S624 VanDerWaalsContact O-CB 3.27Å; E621-S624 WeakPolarHBondContact O-CB 3.25Å; E621-S624 PolarHBondContact O-N 3.3Å; E621-S624 VanDerWaalsContact O-N 3.08Å; E621-S624 PolarHBondContact O-OG 3.04Å
622	P	78	Confident	87.7	Confident	115 Å²	115	48 Å²	48	75%	0.747	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	135.6	179.4	-27	34.8	0	0	0	111.9	S624	P622-S624 PolarHBondContact O-N 3.21Å
623	L	80.9	Confident	87.9	Confident	78 Å²	78	50 Å²	50	41%	0.408	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	-13.2	-178.7	-45.9	173.3	0	0	0	116.1	E621 D625 I626 K637 L638	E621-L623 PolarHBondContact O-N 3.07Å; L623-D625 PolarHBondContact O-N 3.18Å; L623-D625 VanDerWaalsContact O-N 3.14Å; L623-I626 HydrophobicContact CD2-CD1 3.71Å; L623-I626 PolarHBondContact O-N 3.22Å; L623-I626 VanDerWaalsContact O-N 3.13Å; L623-K637 HydrophobicContact CD2-CD 4.29Å; L623-L638 HydrophobicContact CB-CD2 3.71Å; L623-L638 HydrophobicContact CB-CG 4.05Å; L623-L638 HydrophobicContact CD1-CD2 4.32Å
624	S	88.1	Confident	88	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.007	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.5	-175.5	70.5	0	0	0	0	114.9	S601 V602 E621 P622 N636	S601-S624 WeakPolarHBondContact CA-O 3.44Å; V602-S624 PolarHBondContact N-O 3.25Å; V602-S624 WeakPolarHBondContact O-CB 3.28Å; E621-S624 PolarHBondContact N-OG 2.9Å; E621-S624 VanDerWaalsContact O-CB 3.27Å; E621-S624 WeakPolarHBondContact O-CB 3.25Å; E621-S624 PolarHBondContact O-N 3.3Å; E621-S624 VanDerWaalsContact O-N 3.08Å; E621-S624 PolarHBondContact O-OG 3.04Å; P622-S624 PolarHBondContact O-N 3.21Å; S624-N636 PolarHBondContact O-ND2 2.85Å
625	D	91.3	Very high	87.9	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.053	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	11	-177.8	70.5	-35	0	0	0	112.9	R590 F599 L600 V620 L623 W627	R590-D625 IonicContact CZ-OD2 2.9Å; R590-D625 IonicContact NE-OD2 3.47Å; R590-D625 PolarHBondContact NE-OD2 3.31Å; R590-D625 IonicContact NH2-OD2 3.5Å; R590-D625 PolarHBondContact NH2-OD2 3.35Å; F599-D625 HydrophobicContact CB-CB 4.3Å; L600-D625 WeakPolarHBondContact O-CA 3.49Å; L600-D625 WeakPolarHBondContact O-CB 3.04Å; V620-D625 HydrophobicContact CB-CB 4.09Å; V620-D625 HydrophobicContact CG1-CB 3.93Å; V620-D625 HydrophobicContact CG2-CB 4.31Å; L623-D625 PolarHBondContact O-N 3.18Å; L623-D625 VanDerWaalsContact O-N 3.14Å; D625-W627 PolarHBondContact O-NE1 2.95Å
626	I	90.2	Very high	87.8	Confident	27 Å²	27	46.6 Å²	46.6	14%	0.138	24%	0.244	C	C	.	.			trans	-96.4	119.4	175.5	-57.3	-175.6	0	0	0	108.7	F588 L623 N636 K637 L719	F588-I626 HydrophobicContact CB-CG2 3.85Å; F588-I626 HydrophobicContact CD1-CG2 3.65Å; F588-I626 HydrophobicContact CG-CG2 4.01Å; L623-I626 HydrophobicContact CD2-CD1 3.71Å; L623-I626 PolarHBondContact O-N 3.22Å; L623-I626 VanDerWaalsContact O-N 3.13Å; I626-N636 PolarHBondContact O-ND2 3.06Å; I626-K637 HydrophobicContact CB-CB 3.94Å; I626-K637 HydrophobicContact CB-CD 4.49Å; I626-K637 HydrophobicContact CG2-CB 3.84Å; I626-K637 HydrophobicContact CG2-CD 3.94Å; I626-K637 HydrophobicContact CG2-CG 4.49Å; I626-K637 PolarHBondContact O-N 2.87Å; I626-L719 HydrophobicContact CB-CD1 4.39Å; I626-L719 HydrophobicContact CD1-CD1 4.04Å; I626-L719 HydrophobicContact CG1-CD1 3.91Å; I626-L719 HydrophobicContact CG2-CD1 3.83Å
627	W	92.3	Very high	87.4	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	159.2	-176.6	-56.4	85.6	0	0	0	110.8	F588 F589 L600 V602 V614 D625 I634 K635 N636 L644 L658	F588-W627 CarbonylContact C-O 3.6Å; F588-W627 VanDerWaalsContact CA-O 3.31Å; F588-W627 WeakPolarHBondContact CA-O 3.33Å; F589-W627 HydrophobicContact CD2-CB 3.91Å; F589-W627 HydrophobicContact CE2-CB 3.5Å; F589-W627 VanDerWaalsContact CE2-CB 3.5Å; F589-W627 HydrophobicContact CE2-CG 4.39Å; F589-W627 HydrophobicContact CZ-CB 3.85Å; F589-W627 PolarHBondContact N-O 2.92Å; F589-W627 PolarHBondContact O-N 3.17Å; L600-W627 HydrophobicContact CD2-CD2 4.27Å; L600-W627 HydrophobicContact CD2-CH2 4.43Å; L600-W627 HydrophobicContact CD2-CZ2 3.88Å; L600-W627 HydrophobicContact CG-CH2 4.49Å; L600-W627 HydrophobicContact CG-CZ2 3.68Å; L600-W627 PolarHBondContact O-NE1 3Å; V602-W627 HydrophobicContact CG2-CH2 3.47Å; V602-W627 VanDerWaalsContact CG2-CH2 3.47Å; V602-W627 HydrophobicContact CG2-CZ2 3.74Å; V602-W627 HydrophobicContact CG2-CZ3 4.36Å; V614-W627 HydrophobicContact CG1-CH2 4.25Å; V614-W627 HydrophobicContact CG1-CZ2 4.48Å; V614-W627 HydrophobicContact CG2-CH2 4.28Å; D625-W627 PolarHBondContact O-NE1 2.95Å; W627-I634 HydrophobicContact CB-CG2 4.3Å; W627-I634 HydrophobicContact CD2-CG2 4.25Å; W627-I634 HydrophobicContact CE3-CG2 3.7Å; W627-I634 HydrophobicContact CZ3-CG2 4.42Å; W627-K635 CarbonylContact C-O 3.55Å; W627-K635 WeakPolarHBondContact CA-O 3.36Å; W627-N636 HydrophobicContact CD2-CB 4.43Å; W627-N636 HydrophobicContact CE3-CB 3.84Å; W627-N636 HydrophobicContact CH2-CB 4.24Å; W627-N636 HydrophobicContact CZ3-CB 3.75Å; W627-L644 HydrophobicContact CE3-CG 4.42Å; W627-L644 HydrophobicContact CH2-CD2 3.62Å; W627-L644 HydrophobicContact CH2-CG 4.32Å; W627-L644 HydrophobicContact CZ3-CD1 4.32Å; W627-L644 HydrophobicContact CZ3-CD2 3.53Å; W627-L644 HydrophobicContact CZ3-CG 3.75Å; W627-L658 HydrophobicContact CZ3-CD1 4Å
628	F	90.8	Very high	87.1	Confident	21 Å²	21	51.9 Å²	51.9	9%	0.092	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	158.8	170.1	66.5	-84	0	0	0	110	F588 Q630 K635 P640	F588-F628 HydrophobicContact CD1-CB 3.98Å; F588-F628 HydrophobicContact CD1-CD1 4.37Å; F588-F628 HydrophobicContact CE1-CB 4.13Å; F588-F628 AromaticContact CE1-CD1 3.91Å; F588-F628 HydrophobicContact CE1-CD1 3.91Å; F588-F628 HydrophobicContact CE1-CG 4.27Å; F628-Q630 HydrophobicContact CD2-CB 4.42Å; F628-Q630 HydrophobicContact CE2-CB 4.34Å; F628-K635 HydrophobicContact CD1-CB 3.98Å; F628-K635 HydrophobicContact CD2-CB 4.11Å; F628-K635 HydrophobicContact CE1-CB 3.53Å; F628-K635 HydrophobicContact CE2-CB 3.69Å; F628-K635 HydrophobicContact CE2-CD 3.66Å; F628-K635 HydrophobicContact CE2-CG 4.19Å; F628-K635 HydrophobicContact CG-CB 4.26Å; F628-K635 HydrophobicContact CZ-CB 3.38Å; F628-K635 HydrophobicContact CZ-CD 3.85Å; F628-K635 HydrophobicContact CZ-CG 4.2Å; F628-K635 PolarHBondContact N-O 3.13Å; F628-K635 PolarHBondContact O-N 2.88Å; F628-P640 HydrophobicContact CE1-CB 4.29Å; F628-P640 HydrophobicContact CZ-CB 4.05Å
629	Y	89.9	Confident	87.1	Confident	33 Å²	33	49.2 Å²	49.2	13%	0.129	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127	-176.9	-177.3	-92.2	0	0	0	110.8	L498 S499 V500 G632 R633 I634 W669	L498-Y629 HydrophobicContact CB-CD1 4.33Å; L498-Y629 HydrophobicContact CB-CD2 3.78Å; L498-Y629 HydrophobicContact CB-CE1 4.46Å; L498-Y629 HydrophobicContact CB-CE2 3.92Å; L498-Y629 HydrophobicContact CB-CG 3.98Å; L498-Y629 HydrophobicContact CD1-CD2 4.13Å; L498-Y629 HydrophobicContact CD1-CG 4.25Å; L498-Y629 HydrophobicContact CD2-CD1 4.27Å; L498-Y629 HydrophobicContact CD2-CG 3.97Å; L498-Y629 HydrophobicContact CG-CD2 4.38Å; L498-Y629 HydrophobicContact CG-CG 4.29Å; S499-Y629 WeakPolarHBondContact CA-OH 3.43Å; S499-Y629 PolarHBondContact N-OH 2.8Å; V500-Y629 PolarHBondContact N-OH 2.67Å; Y629-G632 WeakPolarHBondContact OH-CA 3.24Å; Y629-G632 PolarHBondContact OH-N 2.6Å; Y629-R633 CarbonylContact C-O 3.57Å; Y629-R633 VanDerWaalsContact CA-O 3.3Å; Y629-R633 WeakPolarHBondContact CA-O 3.21Å; Y629-I634 HydrophobicContact CD2-CG1 3.96Å; Y629-W669 WeakPolarHBondContact CE2-O 3.41Å; Y629-W669 PolarHBondContact OH-O 3.36Å
630	Q	87.9	Confident	87.2	Confident	83 Å²	83	44.3 Å²	44.3	39%	0.388	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	119	-179	-174.9	179.2	24	0	0	109.6	F628 G632 R633 K635	F628-Q630 HydrophobicContact CD2-CB 4.42Å; F628-Q630 HydrophobicContact CE2-CB 4.34Å; Q630-G632 VanDerWaalsContact C-N 3.33Å; Q630-G632 PolarHBondContact O-N 3.2Å; Q630-R633 PolarHBondContact N-O 3.47Å; Q630-R633 WeakPolarHBondContact O-CA 3.37Å; Q630-R633 VanDerWaalsContact O-CB 3.25Å; Q630-R633 WeakPolarHBondContact O-CB 3.41Å; Q630-R633 PolarHBondContact O-N 2.98Å; Q630-K635 HydrophobicContact CB-CD 4.13Å; Q630-K635 VanDerWaalsContact OE1-NZ 3.13Å
631	E	85.6	Confident	87.3	Confident	144 Å²	144	45.8 Å²	45.8	67%	0.673	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	46	170.3	-60.3	178	-177.8	0	0	114.4	R633	E631-R633 VanDerWaalsContact C-N 3.34Å
632	G	89.1	Confident	87.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-13.3	-177.8	0	0	0	0	0	114.5	V500 Y629 Q630 N668 W669	V500-G632 VanDerWaalsContact CG2-CA 3.45Å; Y629-G632 WeakPolarHBondContact OH-CA 3.24Å; Y629-G632 PolarHBondContact OH-N 2.6Å; Q630-G632 VanDerWaalsContact C-N 3.33Å; Q630-G632 PolarHBondContact O-N 3.2Å; G632-N668 CarbonylContact O-C 3.56Å; G632-N668 VanDerWaalsContact O-CA 3.31Å; G632-N668 WeakPolarHBondContact O-CA 3.21Å; G632-W669 PolarHBondContact O-N 3.28Å
633	R	91.7	Very high	88.4	Confident	43 Å²	43	36.2 Å²	36.2	16%	0.162	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.3	-169.4	-54.1	173	-170.4	175.1	3	110.7	Y629 Q630 E631 K635 C643 E661	Y629-R633 CarbonylContact C-O 3.57Å; Y629-R633 VanDerWaalsContact CA-O 3.3Å; Y629-R633 WeakPolarHBondContact CA-O 3.21Å; Q630-R633 PolarHBondContact N-O 3.47Å; Q630-R633 WeakPolarHBondContact O-CA 3.37Å; Q630-R633 VanDerWaalsContact O-CB 3.25Å; Q630-R633 WeakPolarHBondContact O-CB 3.41Å; Q630-R633 PolarHBondContact O-N 2.98Å; E631-R633 VanDerWaalsContact C-N 3.34Å; R633-K635 HydrophobicContact CB-CD 4.23Å; R633-K635 HydrophobicContact CB-CG 3.99Å; R633-C643 HydrophobicContact CB-CB 4Å; R633-E661 WeakPolarHBondContact CD-OE1 3.17Å; R633-E661 IonicContact NH1-OE1 3.87Å; R633-E661 PolarHBondContact NH1-OE1 2.87Å; R633-E661 IonicContact NH1-OE2 3.71Å; R633-E661 PolarHBondContact NH1-OE2 3Å
634	I	93.3	Very high	89	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.9	165.7	-62.9	170	0	0	0	107.1	F589 W627 Y629 C643 L644 W669 I677	F589-I634 HydrophobicContact CZ-CG2 4.35Å; W627-I634 HydrophobicContact CB-CG2 4.3Å; W627-I634 HydrophobicContact CD2-CG2 4.25Å; W627-I634 HydrophobicContact CE3-CG2 3.7Å; W627-I634 HydrophobicContact CZ3-CG2 4.42Å; Y629-I634 HydrophobicContact CD2-CG1 3.96Å; I634-C643 CarbonylContact O-C 3.55Å; I634-C643 WeakPolarHBondContact O-CA 3.48Å; I634-L644 HydrophobicContact CB-CB 4.47Å; I634-L644 HydrophobicContact CB-CD1 3.79Å; I634-L644 HydrophobicContact CB-CG 4.14Å; I634-L644 HydrophobicContact CD1-CD1 4.24Å; I634-L644 HydrophobicContact CG2-CD1 3.58Å; I634-L644 HydrophobicContact CG2-CG 4.04Å; I634-L644 PolarHBondContact O-N 2.92Å; I634-W669 HydrophobicContact CD1-CB 3.73Å; I634-W669 HydrophobicContact CD1-CG 4.13Å; I634-W669 HydrophobicContact CG1-CB 4.08Å; I634-W669 HydrophobicContact CG1-CG 4.46Å; I634-I677 HydrophobicContact CD1-CG2 3.88Å
635	K	92.1	Very high	89.2	Confident	11 Å²	11	32.6 Å²	32.6	5%	0.048	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154	-172.3	-60	179.6	65.3	166	0	109.7	W627 F628 Q630 R633 P640 M642 C643 E661	W627-K635 CarbonylContact C-O 3.55Å; W627-K635 WeakPolarHBondContact CA-O 3.36Å; F628-K635 HydrophobicContact CD1-CB 3.98Å; F628-K635 HydrophobicContact CD2-CB 4.11Å; F628-K635 HydrophobicContact CE1-CB 3.53Å; F628-K635 HydrophobicContact CE2-CB 3.69Å; F628-K635 HydrophobicContact CE2-CD 3.66Å; F628-K635 HydrophobicContact CE2-CG 4.19Å; F628-K635 HydrophobicContact CG-CB 4.26Å; F628-K635 HydrophobicContact CZ-CB 3.38Å; F628-K635 HydrophobicContact CZ-CD 3.85Å; F628-K635 HydrophobicContact CZ-CG 4.2Å; F628-K635 PolarHBondContact N-O 3.13Å; F628-K635 PolarHBondContact O-N 2.88Å; Q630-K635 HydrophobicContact CB-CD 4.13Å; Q630-K635 VanDerWaalsContact OE1-NZ 3.13Å; R633-K635 HydrophobicContact CB-CD 4.23Å; R633-K635 HydrophobicContact CB-CG 3.99Å; K635-P640 WeakPolarHBondContact CE-O 3.46Å; K635-P640 PolarHBondContact NZ-O 3.28Å; K635-M642 WeakPolarHBondContact CB-O 3.44Å; K635-C643 HydrophobicContact CG-CB 3.9Å; K635-E661 VanDerWaalsContact CD-OE1 3.32Å; K635-E661 WeakPolarHBondContact CD-OE1 3.46Å; K635-E661 WeakPolarHBondContact CE-OE1 3.48Å; K635-E661 IonicContact NZ-OE1 3.79Å; K635-E661 PolarHBondContact NZ-OE1 3.38Å; K635-E661 IonicContact NZ-OE2 2.7Å
636	N	91.3	Very high	89.3	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.8	-177.4	-170.8	-89.4	0	0	0	111	V602 S624 I626 W627 L638 S639 L658	V602-N636 HydrophobicContact CG2-CB 4.11Å; V602-N636 WeakPolarHBondContact CG2-ND2 3.41Å; S624-N636 PolarHBondContact O-ND2 2.85Å; I626-N636 PolarHBondContact O-ND2 3.06Å; W627-N636 HydrophobicContact CD2-CB 4.43Å; W627-N636 HydrophobicContact CE3-CB 3.84Å; W627-N636 HydrophobicContact CH2-CB 4.24Å; W627-N636 HydrophobicContact CZ3-CB 3.75Å; N636-L638 VanDerWaalsContact C-N 3.32Å; N636-L638 PolarHBondContact O-N 2.93Å; N636-L638 VanDerWaalsContact OD1-CB 3.26Å; N636-L638 WeakPolarHBondContact OD1-CB 3.21Å; N636-L638 PolarHBondContact OD1-N 3.28Å; N636-S639 CarbonylContact O-C 3.51Å; N636-S639 PolarHBondContact O-N 3.11Å; N636-S639 VanDerWaalsContact O-N 3.16Å; N636-L658 HydrophobicContact CB-CD1 3.93Å; N636-L658 HydrophobicContact CB-CD2 3.9Å
637	K	85.6	Confident	89	Confident	52 Å²	52	34.3 Å²	34.3	23%	0.226	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-32.7	-178.9	-176.1	163.8	-177.3	154.7	0	113.1	D314 F588 L623 I626 S639	D314-K637 VanDerWaalsContact OD1-CE 3.3Å; D314-K637 WeakPolarHBondContact OD1-CE 3.28Å; D314-K637 IonicContact OD1-NZ 3.92Å; D314-K637 PolarHBondContact OD1-NZ 2.64Å; F588-K637 HydrophobicContact CD1-CB 4.48Å; F588-K637 HydrophobicContact CD1-CD 4.16Å; F588-K637 HydrophobicContact CE1-CB 4.17Å; F588-K637 HydrophobicContact CE1-CD 3.8Å; F588-K637 HydrophobicContact CE1-CG 4.08Å; F588-K637 HydrophobicContact CZ-CD 4.08Å; L623-K637 HydrophobicContact CD2-CD 4.29Å; I626-K637 HydrophobicContact CB-CB 3.94Å; I626-K637 HydrophobicContact CB-CD 4.49Å; I626-K637 HydrophobicContact CG2-CB 3.84Å; I626-K637 HydrophobicContact CG2-CD 3.94Å; I626-K637 HydrophobicContact CG2-CG 4.49Å; I626-K637 PolarHBondContact O-N 2.87Å; K637-S639 PolarHBondContact O-N 2.87Å
638	L	84.8	Confident	88.5	Confident	65 Å²	65	36.9 Å²	36.9	34%	0.34	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.6	175.5	-72.9	177.7	0	0	0	113	L623 N636	L623-L638 HydrophobicContact CB-CD2 3.71Å; L623-L638 HydrophobicContact CB-CG 4.05Å; L623-L638 HydrophobicContact CD1-CD2 4.32Å; N636-L638 VanDerWaalsContact C-N 3.32Å; N636-L638 PolarHBondContact O-N 2.93Å; N636-L638 VanDerWaalsContact OD1-CB 3.26Å; N636-L638 WeakPolarHBondContact OD1-CB 3.21Å; N636-L638 PolarHBondContact OD1-N 3.28Å
639	S	84.1	Confident	88.1	Confident	15 Å²	15	39.6 Å²	39.6	11%	0.105	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	81.2	-178.4	-67.7	0	0	0	0	110.6	V606 N636 K637 S641 M642	V606-S639 WeakPolarHBondContact CG1-OG 3.37Å; N636-S639 CarbonylContact O-C 3.51Å; N636-S639 PolarHBondContact O-N 3.11Å; N636-S639 VanDerWaalsContact O-N 3.16Å; K637-S639 PolarHBondContact O-N 2.87Å; S639-S641 PolarHBondContact O-N 3.06Å; S639-M642 PolarHBondContact O-N 3.01Å
640	P	82.3	Confident	87.9	Confident	74 Å²	74	40.7 Å²	40.7	48%	0.481	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	-9.9	-176.6	-23.1	34.8	0	0	0	114.5	F628 K635	F628-P640 HydrophobicContact CE1-CB 4.29Å; F628-P640 HydrophobicContact CZ-CB 4.05Å; K635-P640 WeakPolarHBondContact CE-O 3.46Å; K635-P640 PolarHBondContact NZ-O 3.28Å
641	S	83.9	Confident	88	Confident	74 Å²	74	42.3 Å²	42.3	52%	0.517	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-1.9	174.2	59.7	0	0	0	0	113.6	S639	S639-S641 PolarHBondContact O-N 3.06Å
642	M	89.6	Confident	88.2	Confident	22 Å²	22	39.4 Å²	39.4	11%	0.108	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	155.8	-179.1	-58	-167.4	-171.2	0	0	112.1	V606 K635 S639 L658 W659	V606-M642 HydrophobicContact CG1-CE 4.08Å; V606-M642 HydrophobicContact CG1-SD 3.96Å; K635-M642 WeakPolarHBondContact CB-O 3.44Å; S639-M642 PolarHBondContact O-N 3.01Å; M642-L658 HydrophobicContact CB-CD1 4.08Å; M642-L658 HydrophobicContact CB-CD2 4.03Å; M642-L658 HydrophobicContact CB-CG 3.67Å; M642-L658 HydrophobicContact SD-CD2 4.32Å; M642-L658 HydrophobicContact SD-CG 4.31Å; M642-W659 CarbonylContact C-O 3.59Å; M642-W659 VanDerWaalsContact CA-O 3.25Å; M642-W659 WeakPolarHBondContact CA-O 3.47Å; M642-W659 WeakPolarHBondContact CB-O 3.31Å
643	C	92.5	Very high	88.2	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	165	178.8	67.3	0	0	0	0	112.4	R633 I634 K635 Q645 W659 E661	R633-C643 HydrophobicContact CB-CB 4Å; I634-C643 CarbonylContact O-C 3.55Å; I634-C643 WeakPolarHBondContact O-CA 3.48Å; K635-C643 HydrophobicContact CG-CB 3.9Å; C643-Q645 PolarHBondContact O-N 3.45Å; C643-Q645 PolarHBondContact SG-NE2 3.41Å; C643-Q645 VanDerWaalsContact SG-NE2 3.44Å; C643-W659 PolarHBondContact N-O 3.46Å; C643-W659 PolarHBondContact O-N 3.27Å; C643-E661 HydrophobicContact CB-CG 4.31Å
644	L	94.1	Very high	88.2	Confident	0 Å²	0	40 Å²	40	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	126.5	173.8	-73.2	-175.3	0	0	0	111.2	L600 V614 W627 I634 V656 V657 W669 L687	L600-L644 HydrophobicContact CD2-CD1 4.27Å; V614-L644 HydrophobicContact CB-CD2 4.39Å; V614-L644 HydrophobicContact CG1-CD2 3.94Å; V614-L644 HydrophobicContact CG2-CD2 3.72Å; W627-L644 HydrophobicContact CE3-CG 4.42Å; W627-L644 HydrophobicContact CH2-CD2 3.62Å; W627-L644 HydrophobicContact CH2-CG 4.32Å; W627-L644 HydrophobicContact CZ3-CD1 4.32Å; W627-L644 HydrophobicContact CZ3-CD2 3.53Å; W627-L644 HydrophobicContact CZ3-CG 3.75Å; I634-L644 HydrophobicContact CB-CB 4.47Å; I634-L644 HydrophobicContact CB-CD1 3.79Å; I634-L644 HydrophobicContact CB-CG 4.14Å; I634-L644 HydrophobicContact CD1-CD1 4.24Å; I634-L644 HydrophobicContact CG2-CD1 3.58Å; I634-L644 HydrophobicContact CG2-CG 4.04Å; I634-L644 PolarHBondContact O-N 2.92Å; L644-V656 HydrophobicContact CB-CG1 4.33Å; L644-V656 HydrophobicContact CD2-CG1 3.99Å; L644-V657 WeakPolarHBondContact CA-O 3.42Å; L644-W669 HydrophobicContact CB-CZ2 4.36Å; L644-W669 PolarHBondContact O-NE1 2.82Å; L644-L687 HydrophobicContact CD1-CD1 4.24Å
645	Q	92.3	Very high	88.2	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.019	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.9	179.1	-63.7	-172.6	12.9	0	0	112.1	C643 V656 V657 W659 N660 R663	C643-Q645 PolarHBondContact O-N 3.45Å; C643-Q645 PolarHBondContact SG-NE2 3.41Å; C643-Q645 VanDerWaalsContact SG-NE2 3.44Å; Q645-V656 CarbonylContact O-C 3.58Å; Q645-V656 WeakPolarHBondContact O-CA 3.48Å; Q645-V657 PolarHBondContact N-O 3.18Å; Q645-V657 PolarHBondContact O-N 3.24Å; Q645-W659 HydrophobicContact CG-CB 4.48Å; Q645-N660 PolarHBondContact NE2-O 3.15Å; Q645-R663 VanDerWaalsContact OE1-CD 3.27Å
646	V	91.4	Very high	88.3	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.8	167.8	-173.5	0	0	0	0	109.8	V650 A654 V656 R663 Q667 W669 F682 V702	V646-V650 HydrophobicContact CG1-CG2 4.34Å; V646-A654 HydrophobicContact CG1-CB 3.76Å; V646-V656 HydrophobicContact CG2-CG2 4.31Å; V646-R663 PolarHBondContact O-NH1 2.95Å; V646-Q667 PolarHBondContact O-NE2 2.9Å; V646-Q667 VanDerWaalsContact O-NE2 3.1Å; V646-W669 HydrophobicContact CG2-CH2 4.01Å; V646-W669 HydrophobicContact CG2-CZ2 4.18Å; V646-F682 HydrophobicContact CB-CE2 4.21Å; V646-F682 HydrophobicContact CG2-CD2 4.28Å; V646-F682 HydrophobicContact CG2-CE2 4.16Å; V646-V702 HydrophobicContact CG1-CG2 3.74Å; V646-V702 HydrophobicContact CG2-CB 4.42Å; V646-V702 HydrophobicContact CG2-CG1 3.57Å; V646-V702 HydrophobicContact CG2-CG2 3.96Å
647	M	85	Confident	88.4	Confident	71 Å²	71	43.9 Å²	43.9	35%	0.35	27%	0.268	S	S	.	.			trans	-94.6	141.9	177.7	-75.6	-68.7	-74.7	0	0	112.1	K655 V657 W659 R663	M647-K655 PolarHBondContact N-O 3.18Å; M647-V657 HydrophobicContact CG-CB 4.13Å; M647-V657 HydrophobicContact CG-CG1 3.65Å; M647-V657 HydrophobicContact CG-CG2 3.33Å; M647-V657 HydrophobicContact SD-CG2 3.87Å; M647-W659 HydrophobicContact CE-CE3 4.4Å; M647-W659 HydrophobicContact CE-CZ3 4.17Å; M647-W659 HydrophobicContact SD-CE3 4.15Å; M647-R663 PolarHBondContact SD-NH1 2.8Å; M647-R663 VanDerWaalsContact SD-NH1 3.38Å
648	G	81.7	Confident	88.7	Confident	55 Å²	55	41.4 Å²	41.4	57%	0.567	26%	0.257	S	S	*	.	S	Bend	trans	76.4	-156.3	176.4	0	0	0	0	0	114.6
649	S	82.8	Confident	88.9	Confident	78 Å²	78	41.8 Å²	41.8	55%	0.545	25%	0.254	S	S	.	.	S	Bend	trans	-68.9	140.8	170	48.3	0	0	0	0	110.1	E651	S649-E651 VanDerWaalsContact C-N 3.34Å; S649-E651 WeakPolarHBondContact CB-OE1 3.33Å; S649-E651 PolarHBondContact O-N 2.9Å; S649-E651 PolarHBondContact OG-OE1 2.94Å
650	V	85.2	Confident	88.9	Confident	56 Å²	56	44.6 Å²	44.6	34%	0.339	27%	0.268	S	S	.	.			trans	-81.3	87.1	-179.3	-175.6	0	0	0	0	108.8	V646 F682 M685	V646-V650 HydrophobicContact CG1-CG2 4.34Å; V650-F682 HydrophobicContact CB-CD1 4.38Å; V650-F682 HydrophobicContact CB-CG 4.47Å; V650-F682 HydrophobicContact CG1-CB 4.09Å; V650-F682 HydrophobicContact CG1-CD1 4.18Å; V650-F682 HydrophobicContact CG1-CD2 4.07Å; V650-F682 HydrophobicContact CG1-CG 3.83Å; V650-F682 HydrophobicContact CG2-CD1 3.84Å; V650-F682 HydrophobicContact CG2-CD2 3.95Å; V650-F682 HydrophobicContact CG2-CE1 3.57Å; V650-F682 HydrophobicContact CG2-CE2 3.67Å; V650-F682 HydrophobicContact CG2-CG 4.04Å; V650-F682 HydrophobicContact CG2-CZ 3.48Å; V650-F682 VanDerWaalsContact CG2-CZ 3.48Å; V650-M685 HydrophobicContact CG1-CE 3.99Å; V650-M685 HydrophobicContact CG1-CG 4.36Å
651	E	89.6	Confident	88.7	Confident	116 Å²	116	43.3 Å²	43.3	54%	0.542	26%	0.255	S	S	.	.			trans	-118.3	159	175.9	-70.8	169.3	-144.7	0	0	109.5	S649 A653 A654	S649-E651 VanDerWaalsContact C-N 3.34Å; S649-E651 WeakPolarHBondContact CB-OE1 3.33Å; S649-E651 PolarHBondContact O-N 2.9Å; S649-E651 PolarHBondContact OG-OE1 2.94Å; E651-A653 PolarHBondContact O-N 2.86Å; E651-A654 WeakPolarHBondContact O-CB 3.45Å; E651-A654 PolarHBondContact O-N 2.79Å
652	P	89.2	Confident	88.5	Confident	84 Å²	84	43.9 Å²	43.9	55%	0.545	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	131.6	172.5	-26.1	34.8	0	0	0	111.3	A654 M703 P704	P652-A654 VanDerWaalsContact C-N 3.34Å; P652-M703 HydrophobicContact CB-CE 4.42Å; P652-M703 HydrophobicContact CB-SD 4.26Å; P652-P704 HydrophobicContact CG-CG 4.24Å
653	A	89.6	Confident	87.8	Confident	42 Å²	42	46.7 Å²	46.7	35%	0.347	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	15.8	-174.6	0	0	0	0	0	116	E651 K655 V701 V702 M703	E651-A653 PolarHBondContact O-N 2.86Å; A653-K655 PolarHBondContact O-N 3.24Å; A653-V701 WeakPolarHBondContact O-CG1 3.37Å; A653-V702 WeakPolarHBondContact CA-O 3.46Å; A653-V702 PolarHBondContact N-O 2.79Å; A653-M703 HydrophobicContact CB-SD 4.01Å; A653-M703 PolarHBondContact N-SD 3.16Å
654	A	92.9	Very high	87.2	Confident	14 Å²	14	52.9 Å²	52.9	12%	0.116	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	136.1	168.4	0	0	0	0	0	110.8	V646 E651 P652 V701 V702	V646-A654 HydrophobicContact CG1-CB 3.76Å; E651-A654 WeakPolarHBondContact O-CB 3.45Å; E651-A654 PolarHBondContact O-N 2.79Å; P652-A654 VanDerWaalsContact C-N 3.34Å; A654-V701 CarbonylContact O-C 3.55Å; A654-V701 WeakPolarHBondContact O-CA 3.26Å; A654-V701 VanDerWaalsContact O-CB 3.31Å; A654-V701 WeakPolarHBondContact O-CB 3.41Å; A654-V702 HydrophobicContact CB-CG2 3.87Å; A654-V702 PolarHBondContact O-N 3.49Å
655	K	93	Very high	86.7	Confident	74 Å²	74	56.4 Å²	56.4	32%	0.322	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	140	-173	-68.2	-173.6	177.1	-169.1	0	111.9	M647 A653 D696	M647-K655 PolarHBondContact N-O 3.18Å; A653-K655 PolarHBondContact O-N 3.24Å; K655-D696 IonicContact NZ-OD2 3.26Å; K655-D696 PolarHBondContact NZ-OD2 3.49Å
656	V	93.9	Very high	86.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136	169.2	-177.3	0	0	0	0	108.9	L644 Q645 V646 W669 L687 V700 V702	L644-V656 HydrophobicContact CB-CG1 4.33Å; L644-V656 HydrophobicContact CD2-CG1 3.99Å; Q645-V656 CarbonylContact O-C 3.58Å; Q645-V656 WeakPolarHBondContact O-CA 3.48Å; V646-V656 HydrophobicContact CG2-CG2 4.31Å; V656-W669 HydrophobicContact CG2-CH2 4.38Å; V656-L687 HydrophobicContact CB-CD2 4.42Å; V656-L687 HydrophobicContact CG1-CD2 4.27Å; V656-L687 HydrophobicContact CG2-CD2 3.69Å; V656-V700 HydrophobicContact CB-CB 4.46Å; V656-V700 HydrophobicContact CB-CG1 4.09Å; V656-V700 HydrophobicContact CG2-CG1 4.32Å; V656-V700 PolarHBondContact N-O 3.37Å; V656-V702 HydrophobicContact CG2-CG1 3.86Å
657	V	92.7	Very high	86.2	Confident	20 Å²	20	59.5 Å²	59.5	12%	0.121	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	165.7	-179	-56.2	0	0	0	0	109.9	V614 L644 Q645 M647 W659	V614-V657 VanDerWaalsContact CG2-C 3.48Å; L644-V657 WeakPolarHBondContact CA-O 3.42Å; Q645-V657 PolarHBondContact N-O 3.18Å; Q645-V657 PolarHBondContact O-N 3.24Å; M647-V657 HydrophobicContact CG-CB 4.13Å; M647-V657 HydrophobicContact CG-CG1 3.65Å; M647-V657 HydrophobicContact CG-CG2 3.33Å; M647-V657 HydrophobicContact SD-CG2 3.87Å; V657-W659 HydrophobicContact CG2-CB 4.16Å; V657-W659 HydrophobicContact CG2-CE3 4.26Å
658	L	92.1	Very high	86.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.6	165.8	-169.5	76.2	0	0	0	108	V602 V606 S611 G612 V614 W627 N636 M642	V602-L658 HydrophobicContact CG1-CB 4.42Å; V602-L658 HydrophobicContact CG1-CD2 4.12Å; V602-L658 HydrophobicContact CG2-CB 4.44Å; V602-L658 HydrophobicContact CG2-CD2 4.04Å; V606-L658 HydrophobicContact CG1-CD2 4.31Å; S611-L658 CarbonylContact C-O 3.6Å; S611-L658 VanDerWaalsContact CA-O 3.24Å; S611-L658 WeakPolarHBondContact CA-O 3.33Å; G612-L658 PolarHBondContact N-O 3.2Å; G612-L658 PolarHBondContact O-N 3.07Å; V614-L658 HydrophobicContact CG2-CB 4.09Å; W627-L658 HydrophobicContact CZ3-CD1 4Å; N636-L658 HydrophobicContact CB-CD1 3.93Å; N636-L658 HydrophobicContact CB-CD2 3.9Å; M642-L658 HydrophobicContact CB-CD1 4.08Å; M642-L658 HydrophobicContact CB-CD2 4.03Å; M642-L658 HydrophobicContact CB-CG 3.67Å; M642-L658 HydrophobicContact SD-CD2 4.32Å; M642-L658 HydrophobicContact SD-CG 4.31Å
659	W	89.6	Confident	87	Confident	73 Å²	73	55.6 Å²	55.6	28%	0.277	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.9	-177.6	-159.2	-81.4	0	0	0	112	K610 S611 M642 C643 Q645 M647 V657	K610-W659 HydrophobicContact CB-CH2 4.31Å; K610-W659 HydrophobicContact CB-CZ2 4.16Å; S611-W659 WeakPolarHBondContact OG-CZ3 3.33Å; M642-W659 CarbonylContact C-O 3.59Å; M642-W659 VanDerWaalsContact CA-O 3.25Å; M642-W659 WeakPolarHBondContact CA-O 3.47Å; M642-W659 WeakPolarHBondContact CB-O 3.31Å; C643-W659 PolarHBondContact N-O 3.46Å; C643-W659 PolarHBondContact O-N 3.27Å; Q645-W659 HydrophobicContact CG-CB 4.48Å; M647-W659 HydrophobicContact CE-CE3 4.4Å; M647-W659 HydrophobicContact CE-CZ3 4.17Å; M647-W659 HydrophobicContact SD-CE3 4.15Å; V657-W659 HydrophobicContact CG2-CB 4.16Å; V657-W659 HydrophobicContact CG2-CE3 4.26Å
660	N	84	Confident	87.5	Confident	74 Å²	74	53.5 Å²	53.5	40%	0.396	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	138.8	175.1	-173.6	-10.3	0	0	0	112.5	Q645 S662	Q645-N660 PolarHBondContact NE2-O 3.15Å; N660-S662 PolarHBondContact ND2-OG 2.61Å; N660-S662 PolarHBondContact O-N 2.97Å; N660-S662 VanDerWaalsContact O-N 3.12Å; N660-S662 PolarHBondContact OD1-N 3.37Å
661	E	78.4	Confident	87.7	Confident	47 Å²	47	51.1 Å²	51.1	22%	0.22	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-9.2	180	-61.1	-176.5	147.1	0	0	115.2	R633 K635 C643 R663	R633-E661 WeakPolarHBondContact CD-OE1 3.17Å; R633-E661 IonicContact NH1-OE1 3.87Å; R633-E661 PolarHBondContact NH1-OE1 2.87Å; R633-E661 IonicContact NH1-OE2 3.71Å; R633-E661 PolarHBondContact NH1-OE2 3Å; K635-E661 VanDerWaalsContact CD-OE1 3.32Å; K635-E661 WeakPolarHBondContact CD-OE1 3.46Å; K635-E661 WeakPolarHBondContact CE-OE1 3.48Å; K635-E661 IonicContact NZ-OE1 3.79Å; K635-E661 PolarHBondContact NZ-OE1 3.38Å; K635-E661 IonicContact NZ-OE2 2.7Å; C643-E661 HydrophobicContact CB-CG 4.31Å; E661-R663 PolarHBondContact O-N 3.01Å
662	S	78.1	Confident	87.8	Confident	87 Å²	87	52.7 Å²	52.7	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.4	-178.8	57.1	0	0	0	0	115.2	N660	N660-S662 PolarHBondContact ND2-OG 2.61Å; N660-S662 PolarHBondContact O-N 2.97Å; N660-S662 VanDerWaalsContact O-N 3.12Å; N660-S662 PolarHBondContact OD1-N 3.37Å
663	R	76.4	Confident	87.7	Confident	80 Å²	80	51 Å²	51	30%	0.302	27%	0.266	S	S	.	.			trans	-77.6	135.7	-177	-164.3	176.4	178.4	-150.5	-10.1	111.6	Q645 V646 M647 E661 P665	Q645-R663 VanDerWaalsContact OE1-CD 3.27Å; V646-R663 PolarHBondContact O-NH1 2.95Å; M647-R663 PolarHBondContact SD-NH1 2.8Å; M647-R663 VanDerWaalsContact SD-NH1 3.38Å; E661-R663 PolarHBondContact O-N 3.01Å; R663-P665 CarbonylContact O-C 3.55Å
664	Q	79.1	Confident	87.7	Confident	135 Å²	135	54.3 Å²	54.3	63%	0.631	27%	0.274	S	S	*	.	S	Bend	trans	-104.8	143.4	172.4	-66.3	-63.9	-28.8	0	0	110.8
665	P	83.1	Confident	87.7	Confident	74 Å²	74	54 Å²	54	48%	0.481	27%	0.273	S	S	.	.	S	Bend	cis	-69.7	150.9	-6.4	31.4	-35.4	0	0	0	111.7	R663 Q667 T681	R663-P665 CarbonylContact O-C 3.55Å; P665-Q667 PolarHBondContact O-N 2.87Å; P665-T681 HydrophobicContact CB-CG2 4.28Å; P665-T681 HydrophobicContact CG-CG2 4.15Å
666	I	84.4	Confident	87.8	Confident	62 Å²	62	52.5 Å²	52.5	32%	0.318	27%	0.271	S	S	.	.			trans	-60.9	129.1	171.6	-62.5	171.2	0	0	0	108.5	T681	I666-T681 WeakPolarHBondContact O-CG2 3.31Å; I666-T681 PolarHBondContact O-OG1 3.28Å
667	Q	90.2	Very high	87.8	Confident	7 Å²	7	52.7 Å²	52.7	3%	0.033	27%	0.271	C	S	.	.			trans	-99.5	110.8	-176.6	-61.5	-167	28.9	0	0	111.1	V646 P665 T681 F682	V646-Q667 PolarHBondContact O-NE2 2.9Å; V646-Q667 VanDerWaalsContact O-NE2 3.1Å; P665-Q667 PolarHBondContact O-N 2.87Å; Q667-T681 VanDerWaalsContact CA-OG1 3.3Å; Q667-T681 WeakPolarHBondContact CA-OG1 3.28Å; Q667-T681 HydrophobicContact CG-CG2 4.5Å; Q667-F682 HydrophobicContact CG-CE2 4.13Å; Q667-F682 HydrophobicContact CG-CZ 4.39Å
668	N	90.6	Very high	87.9	Confident	44 Å²	44	52.4 Å²	52.4	24%	0.235	27%	0.273	C	S	.	.			trans	-102.5	146	-178.9	-68.4	-25	0	0	0	110.6	G632 L680 T681	G632-N668 CarbonylContact O-C 3.56Å; G632-N668 VanDerWaalsContact O-CA 3.31Å; G632-N668 WeakPolarHBondContact O-CA 3.21Å; N668-L680 HydrophobicContact CB-CB 3.94Å; N668-L680 HydrophobicContact CB-CD1 4.23Å; N668-L680 PolarHBondContact O-N 2.91Å; N668-T681 PolarHBondContact N-OG1 2.96Å
669	W	93	Very high	87.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.3	-175.3	-60	90.8	0	0	0	110.1	Y629 G632 I634 L644 V646 V656 I677 G678 L687 V702	Y629-W669 WeakPolarHBondContact CE2-O 3.41Å; Y629-W669 PolarHBondContact OH-O 3.36Å; G632-W669 PolarHBondContact O-N 3.28Å; I634-W669 HydrophobicContact CD1-CB 3.73Å; I634-W669 HydrophobicContact CD1-CG 4.13Å; I634-W669 HydrophobicContact CG1-CB 4.08Å; I634-W669 HydrophobicContact CG1-CG 4.46Å; L644-W669 HydrophobicContact CB-CZ2 4.36Å; L644-W669 PolarHBondContact O-NE1 2.82Å; V646-W669 HydrophobicContact CG2-CH2 4.01Å; V646-W669 HydrophobicContact CG2-CZ2 4.18Å; V656-W669 HydrophobicContact CG2-CH2 4.38Å; W669-I677 HydrophobicContact CE3-CG2 4.12Å; W669-G678 CarbonylContact C-O 3.59Å; W669-G678 VanDerWaalsContact CA-O 3.31Å; W669-G678 WeakPolarHBondContact CA-O 3.12Å; W669-L687 HydrophobicContact CE3-CD1 4.49Å; W669-L687 HydrophobicContact CE3-CD2 4.25Å; W669-L687 HydrophobicContact CE3-CG 4.14Å; W669-L687 HydrophobicContact CH2-CD2 3.42Å; W669-L687 VanDerWaalsContact CH2-CD2 3.42Å; W669-L687 HydrophobicContact CH2-CG 4.2Å; W669-L687 HydrophobicContact CZ2-CD2 4.38Å; W669-L687 HydrophobicContact CZ3-CD1 4.33Å; W669-L687 HydrophobicContact CZ3-CD2 3.35Å; W669-L687 HydrophobicContact CZ3-CG 3.61Å; W669-V702 HydrophobicContact CH2-CG1 3.79Å; W669-V702 HydrophobicContact CZ3-CG1 4.23Å
670	S	91.8	Very high	87.8	Confident	35 Å²	35	53.2 Å²	53.2	25%	0.245	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.4	169.3	69.6	0	0	0	0	111.6	L498 I677 G678	L498-S670 CarbonylContact O-C 3.6Å; L498-S670 WeakPolarHBondContact O-CA 3.37Å; L498-S670 WeakPolarHBondContact O-CB 3.39Å; S670-I677 CarbonylContact O-C 3.59Å; S670-I677 WeakPolarHBondContact O-CA 3.41Å; S670-G678 PolarHBondContact N-O 3.29Å; S670-G678 PolarHBondContact O-N 2.7Å
671	A	91.1	Very high	88.1	Confident	6 Å²	6	51.5 Å²	51.5	5%	0.05	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	139.7	179.1	0	0	0	0	0	111.9	L498 I677 I716	L498-A671 HydrophobicContact CB-CB 4.23Å; L498-A671 HydrophobicContact CD1-CB 4.35Å; L498-A671 PolarHBondContact N-O 2.79Å; L498-A671 PolarHBondContact O-N 2.88Å; A671-I677 HydrophobicContact CB-CB 4.42Å; A671-I677 HydrophobicContact CB-CG1 3.89Å; A671-I677 HydrophobicContact CB-CG2 4.3Å; A671-I716 HydrophobicContact CB-CD1 3.75Å
672	K	89.7	Confident	88.7	Confident	148 Å²	148	51.1 Å²	51.1	64%	0.643	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	165.2	162.6	-65	-179.7	-178.5	176.5	0	109	T497 Q674 I716	T497-K672 HydrophobicContact CG2-CG 4.39Å; K672-Q674 PolarHBondContact O-N 2.73Å; K672-Q674 VanDerWaalsContact O-N 3.12Å; K672-I716 WeakPolarHBondContact O-CD1 3.34Å
673	M	87.8	Confident	89.2	Confident	49 Å²	49	52.5 Å²	52.5	24%	0.241	28%	0.279	C	S	.	.	S	Bend	trans	-56.1	-30.2	175.2	-67.2	-51.5	-62.3	0	0	113.3	M496 I716 L718	M496-M673 HydrophobicContact CB-CG 3.89Å; M496-M673 HydrophobicContact CB-SD 3.8Å; M496-M673 HydrophobicContact CG-CG 4.35Å; M496-M673 HydrophobicContact CG-SD 3.59Å; M496-M673 VanDerWaalsContact CG-SD 3.59Å; M673-I716 HydrophobicContact CE-CB 3.84Å; M673-I716 HydrophobicContact CE-CG2 3.8Å; M673-I716 WeakPolarHBondContact CE-O 3.49Å; M673-I716 PolarHBondContact O-N 2.89Å; M673-I716 HydrophobicContact SD-CB 4.24Å; M673-I716 HydrophobicContact SD-CG2 4.22Å; M673-L718 HydrophobicContact CE-CD1 4.13Å; M673-L718 HydrophobicContact CE-CD2 4.04Å; M673-L718 HydrophobicContact CE-CG 3.78Å
674	Q	90.8	Very high	89.9	Confident	111 Å²	111	50.7 Å²	50.7	52%	0.519	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	131.6	170.5	-59.6	-175.7	19.5	0	0	108.7	K672 W714 E715	K672-Q674 PolarHBondContact O-N 2.73Å; K672-Q674 VanDerWaalsContact O-N 3.12Å; Q674-W714 WeakPolarHBondContact CA-O 3.23Å; Q674-E715 HydrophobicContact CG-CG 4.36Å
675	G	92.6	Very high	90.6	Very high	9 Å²	9	45.2 Å²	45.2	9%	0.093	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.2	-172.6	-179.8	0	0	0	0	0	113.1	Q713 W714	G675-Q713 VanDerWaalsContact CA-OE1 3.32Å; G675-W714 PolarHBondContact N-O 2.65Å; G675-W714 PolarHBondContact O-N 3.31Å
676	P	93.7	Very high	91.1	Very high	42 Å²	42	41.8 Å²	41.8	27%	0.273	24%	0.238	S	C	.	.			trans	-67.6	154.4	167.4	30	-33.9	0	0	0	111.1	V686	P676-V686 HydrophobicContact CB-CB 4.24Å; P676-V686 HydrophobicContact CB-CG1 3.93Å
677	I	94.9	Very high	91.7	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112	170.3	-60.5	174.8	0	0	0	107.2	V591 I634 W669 S670 A671 V686 L687 W714	V591-I677 HydrophobicContact CG1-CD1 3.69Å; I634-I677 HydrophobicContact CD1-CG2 3.88Å; W669-I677 HydrophobicContact CE3-CG2 4.12Å; S670-I677 CarbonylContact O-C 3.59Å; S670-I677 WeakPolarHBondContact O-CA 3.41Å; A671-I677 HydrophobicContact CB-CB 4.42Å; A671-I677 HydrophobicContact CB-CG1 3.89Å; A671-I677 HydrophobicContact CB-CG2 4.3Å; I677-V686 CarbonylContact O-C 3.55Å; I677-V686 VanDerWaalsContact O-CA 3.25Å; I677-V686 WeakPolarHBondContact O-CA 3.4Å; I677-L687 HydrophobicContact CB-CB 4.15Å; I677-L687 HydrophobicContact CB-CD1 3.85Å; I677-L687 HydrophobicContact CB-CG 4.03Å; I677-L687 HydrophobicContact CD1-CD1 4.07Å; I677-L687 HydrophobicContact CG2-CD1 3.62Å; I677-L687 HydrophobicContact CG2-CG 3.99Å; I677-L687 PolarHBondContact O-N 2.92Å; I677-W714 HydrophobicContact CD1-CB 3.92Å; I677-W714 HydrophobicContact CD1-CD2 4.41Å; I677-W714 HydrophobicContact CD1-CG 3.92Å; I677-W714 HydrophobicContact CG1-CB 4.06Å; I677-W714 HydrophobicContact CG1-CG 4.11Å
678	G	93.8	Very high	91.9	Very high	15 Å²	15	38.6 Å²	38.6	16%	0.155	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	147.8	-173.3	0	0	0	0	0	113.1	W669 S670	W669-G678 CarbonylContact C-O 3.59Å; W669-G678 VanDerWaalsContact CA-O 3.31Å; W669-G678 WeakPolarHBondContact CA-O 3.12Å; S670-G678 PolarHBondContact N-O 3.29Å; S670-G678 PolarHBondContact O-N 2.7Å
679	S	92.6	Very high	92	Very high	8 Å²	8	37.2 Å²	37.2	6%	0.056	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.6	167.3	-172.1	0	0	0	0	109.9	T681 F682 M685	S679-T681 PolarHBondContact OG-N 3.46Å; S679-F682 CarbonylContact O-C 3.51Å; S679-F682 PolarHBondContact OG-N 2.89Å; S679-F682 VanDerWaalsContact OG-N 3.09Å; S679-M685 PolarHBondContact N-O 3.29Å
680	L	88.4	Confident	91.8	Very high	81 Å²	81	40.7 Å²	40.7	42%	0.424	23%	0.23	S	C	.	.	S	Bend	trans	-80.4	-28.7	170.9	-63.9	177.9	0	0	0	111.3	N668	N668-L680 HydrophobicContact CB-CB 3.94Å; N668-L680 HydrophobicContact CB-CD1 4.23Å; N668-L680 PolarHBondContact O-N 2.91Å
681	T	89.4	Confident	91.4	Very high	38 Å²	38	40.5 Å²	40.5	23%	0.233	23%	0.234	C	C	.	.	S	Bend	trans	-75.3	-31.2	177.6	-55.8	0	0	0	0	112	P665 I666 Q667 N668 S679 P683	P665-T681 HydrophobicContact CB-CG2 4.28Å; P665-T681 HydrophobicContact CG-CG2 4.15Å; I666-T681 WeakPolarHBondContact O-CG2 3.31Å; I666-T681 PolarHBondContact O-OG1 3.28Å; Q667-T681 VanDerWaalsContact CA-OG1 3.3Å; Q667-T681 WeakPolarHBondContact CA-OG1 3.28Å; Q667-T681 HydrophobicContact CG-CG2 4.5Å; N668-T681 PolarHBondContact N-OG1 2.96Å; S679-T681 PolarHBondContact OG-N 3.46Å; T681-P683 WeakPolarHBondContact O-CD 3.41Å
682	F	91.4	Very high	91	Very high	40 Å²	40	43.3 Å²	43.3	18%	0.175	26%	0.263	C	S	.	.	S	Bend	trans	-121.9	84.9	176.6	-49.8	-58.5	0	0	0	109.9	V646 V650 Q667 S679 G684 M685	V646-F682 HydrophobicContact CB-CE2 4.21Å; V646-F682 HydrophobicContact CG2-CD2 4.28Å; V646-F682 HydrophobicContact CG2-CE2 4.16Å; V650-F682 HydrophobicContact CB-CD1 4.38Å; V650-F682 HydrophobicContact CB-CG 4.47Å; V650-F682 HydrophobicContact CG1-CB 4.09Å; V650-F682 HydrophobicContact CG1-CD1 4.18Å; V650-F682 HydrophobicContact CG1-CD2 4.07Å; V650-F682 HydrophobicContact CG1-CG 3.83Å; V650-F682 HydrophobicContact CG2-CD1 3.84Å; V650-F682 HydrophobicContact CG2-CD2 3.95Å; V650-F682 HydrophobicContact CG2-CE1 3.57Å; V650-F682 HydrophobicContact CG2-CE2 3.67Å; V650-F682 HydrophobicContact CG2-CG 4.04Å; V650-F682 HydrophobicContact CG2-CZ 3.48Å; V650-F682 VanDerWaalsContact CG2-CZ 3.48Å; Q667-F682 HydrophobicContact CG-CE2 4.13Å; Q667-F682 HydrophobicContact CG-CZ 4.39Å; S679-F682 CarbonylContact O-C 3.51Å; S679-F682 PolarHBondContact OG-N 2.89Å; S679-F682 VanDerWaalsContact OG-N 3.09Å; F682-G684 PolarHBondContact O-N 3.17Å; F682-M685 HydrophobicContact CB-CB 4.23Å; F682-M685 HydrophobicContact CB-CG 4.01Å; F682-M685 WeakPolarHBondContact O-CB 3.09Å; F682-M685 PolarHBondContact O-N 2.72Å; F682-M685 VanDerWaalsContact O-N 3.12Å
683	P	89.4	Confident	90.4	Very high	115 Å²	115	48.5 Å²	48.5	75%	0.747	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	136.2	-175.2	-27.4	35.2	0	0	0	112.9	T681 M685	T681-P683 WeakPolarHBondContact O-CD 3.41Å; P683-M685 VanDerWaalsContact C-N 3.29Å; P683-M685 PolarHBondContact O-N 3.37Å
684	G	89.8	Confident	90.1	Very high	42 Å²	42	49.4 Å²	49.4	43%	0.433	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-1.6	-178.4	0	0	0	0	0	115	F682 P704 E705	F682-G684 PolarHBondContact O-N 3.17Å; G684-P704 CarbonylContact O-C 3.51Å; G684-P704 WeakPolarHBondContact O-CA 3.04Å; G684-E705 PolarHBondContact O-N 3.27Å
685	M	93.8	Very high	89.5	Confident	21 Å²	21	53.8 Å²	53.8	10%	0.103	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.4	173.8	-59.7	-67.4	-85.7	0	0	111	V650 S679 F682 P683 V702 M703 P704	V650-M685 HydrophobicContact CG1-CE 3.99Å; V650-M685 HydrophobicContact CG1-CG 4.36Å; S679-M685 PolarHBondContact N-O 3.29Å; F682-M685 HydrophobicContact CB-CB 4.23Å; F682-M685 HydrophobicContact CB-CG 4.01Å; F682-M685 WeakPolarHBondContact O-CB 3.09Å; F682-M685 PolarHBondContact O-N 2.72Å; F682-M685 VanDerWaalsContact O-N 3.12Å; P683-M685 VanDerWaalsContact C-N 3.29Å; P683-M685 PolarHBondContact O-N 3.37Å; M685-V702 HydrophobicContact CB-CB 4.39Å; M685-V702 HydrophobicContact CE-CB 4.04Å; M685-V702 HydrophobicContact CE-CG2 3.81Å; M685-M703 CarbonylContact C-O 3.33Å; M685-M703 WeakPolarHBondContact CA-O 3.3Å; M685-P704 HydrophobicContact SD-CB 4.02Å
686	V	94.9	Very high	89	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.1	179.5	-67.2	0	0	0	0	112	P676 I677 V702 M703 E705	P676-V686 HydrophobicContact CB-CB 4.24Å; P676-V686 HydrophobicContact CB-CG1 3.93Å; I677-V686 CarbonylContact O-C 3.55Å; I677-V686 VanDerWaalsContact O-CA 3.25Å; I677-V686 WeakPolarHBondContact O-CA 3.4Å; V686-V702 WeakPolarHBondContact O-CA 3.44Å; V686-M703 WeakPolarHBondContact CG2-O 3.42Å; V686-M703 PolarHBondContact N-O 3.28Å; V686-M703 PolarHBondContact O-N 2.95Å; V686-E705 HydrophobicContact CB-CG 4.4Å; V686-E705 HydrophobicContact CG1-CG 3.49Å; V686-E705 VanDerWaalsContact CG1-CG 3.49Å; V686-E705 WeakPolarHBondContact CG1-OE1 3.03Å; V686-E705 HydrophobicContact CG2-CG 3.99Å
687	L	95.2	Very high	88.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.2	172.8	-66.9	-173.7	0	0	0	111.5	L644 V656 W669 I677 V700 V701 V702 W714	L644-L687 HydrophobicContact CD1-CD1 4.24Å; V656-L687 HydrophobicContact CB-CD2 4.42Å; V656-L687 HydrophobicContact CG1-CD2 4.27Å; V656-L687 HydrophobicContact CG2-CD2 3.69Å; W669-L687 HydrophobicContact CE3-CD1 4.49Å; W669-L687 HydrophobicContact CE3-CD2 4.25Å; W669-L687 HydrophobicContact CE3-CG 4.14Å; W669-L687 HydrophobicContact CH2-CD2 3.42Å; W669-L687 VanDerWaalsContact CH2-CD2 3.42Å; W669-L687 HydrophobicContact CH2-CG 4.2Å; W669-L687 HydrophobicContact CZ2-CD2 4.38Å; W669-L687 HydrophobicContact CZ3-CD1 4.33Å; W669-L687 HydrophobicContact CZ3-CD2 3.35Å; W669-L687 HydrophobicContact CZ3-CG 3.61Å; I677-L687 HydrophobicContact CB-CB 4.15Å; I677-L687 HydrophobicContact CB-CD1 3.85Å; I677-L687 HydrophobicContact CB-CG 4.03Å; I677-L687 HydrophobicContact CD1-CD1 4.07Å; I677-L687 HydrophobicContact CG2-CD1 3.62Å; I677-L687 HydrophobicContact CG2-CG 3.99Å; I677-L687 PolarHBondContact O-N 2.92Å; L687-V700 HydrophobicContact CB-CG1 4.42Å; L687-V700 HydrophobicContact CD2-CG1 3.92Å; L687-V701 WeakPolarHBondContact CA-O 3.49Å; L687-V702 HydrophobicContact CD2-CG1 4.23Å; L687-W714 HydrophobicContact CB-CZ2 4.44Å; L687-W714 PolarHBondContact O-NE1 2.93Å
688	D	94.3	Very high	88.4	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.011	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.2	178.4	-158.4	-19	0	0	0	109.4	V700 V701 M703 R709 Q712	D688-V700 WeakPolarHBondContact O-CA 3.31Å; D688-V701 HydrophobicContact CB-CG2 4.28Å; D688-V701 PolarHBondContact N-O 2.86Å; D688-V701 PolarHBondContact O-N 3.27Å; D688-M703 HydrophobicContact CB-CB 3.96Å; D688-M703 HydrophobicContact CB-CG 3.58Å; D688-R709 IonicContact OD1-NH2 3.37Å; D688-R709 IonicContact OD2-CZ 2.83Å; D688-R709 IonicContact OD2-NE 2.71Å; D688-R709 IonicContact OD2-NH2 3.34Å; D688-R709 PolarHBondContact OD2-NH2 2.82Å; D688-Q712 WeakPolarHBondContact OD1-CG 3.18Å; D688-Q712 PolarHBondContact OD1-NE2 2.71Å
689	V	92.9	Very high	88.3	Confident	16 Å²	16	59.5 Å²	59.5	10%	0.097	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.6	170.8	-179.9	0	0	0	0	108.1	A616 G691 K697 Q712 W714	A616-V689 HydrophobicContact CB-CG1 4.45Å; A616-V689 HydrophobicContact CB-CG2 3.6Å; V689-G691 PolarHBondContact O-N 2.88Å; V689-G691 VanDerWaalsContact O-N 3.08Å; V689-K697 WeakPolarHBondContact CG1-O 3.33Å; V689-Q712 PolarHBondContact O-NE2 3.42Å; V689-W714 HydrophobicContact CG2-CH2 3.67Å; V689-W714 HydrophobicContact CG2-CZ2 3.98Å
690	K	89.9	Confident	88.5	Confident	73 Å²	73	59.1 Å²	59.1	32%	0.317	31%	0.313	S	S	.	.			trans	-49.3	-43.2	-171.5	-170.7	-176	-177.6	-171.6	0	113.3	D696 H699 V701	K690-D696 IonicContact NZ-OD1 3.16Å; K690-D696 PolarHBondContact NZ-OD1 2.69Å; K690-D696 IonicContact NZ-OD2 2.74Å; K690-D696 PolarHBondContact NZ-OD2 3.01Å; K690-H699 WeakPolarHBondContact CB-O 3.36Å; K690-H699 PolarHBondContact N-O 3.47Å; K690-V701 HydrophobicContact CB-CG1 3.98Å; K690-V701 HydrophobicContact CB-CG2 4.39Å; K690-V701 HydrophobicContact CG-CG1 4.35Å
691	G	83.6	Confident	88.8	Confident	31 Å²	31	55.3 Å²	55.3	32%	0.32	29%	0.293	S	S	.	.			trans	67.4	-167.8	-178.2	0	0	0	0	0	113.7	V689 K697	V689-G691 PolarHBondContact O-N 2.88Å; V689-G691 VanDerWaalsContact O-N 3.08Å; G691-K697 WeakPolarHBondContact CA-O 3.23Å; G691-K697 PolarHBondContact N-O 3.16Å; G691-K697 WeakPolarHBondContact O-CA 3.5Å; G691-K697 WeakPolarHBondContact O-CB 3.05Å
692	G	81.4	Confident	89	Confident	64 Å²	64	53.5 Å²	53.5	66%	0.66	28%	0.282	S	S	*	.	S	Bend	trans	85	-166	179	0	0	0	0	0	114.9	K697	G692-K697 WeakPolarHBondContact O-CB 3.25Å
693	R	77.3	Confident	89.1	Confident	258 Å²	258	52.9 Å²	52.9	97%	0.974	28%	0.28	S	S	*	.	S	Bend	trans	-101.5	5.3	-174.3	-63.8	-175.1	-179.9	-179.8	0.2	114.2
694	T	80.9	Confident	89.2	Confident	68 Å²	68	50 Å²	50	42%	0.417	26%	0.261	S	S	.	.	S	Bend	trans	-82.2	159.6	-178.8	55.2	0	0	0	0	111.5	D696 K697	T694-D696 VanDerWaalsContact CB-OD1 3.3Å; T694-D696 WeakPolarHBondContact CB-OD1 3.2Å; T694-D696 PolarHBondContact O-N 3.48Å; T694-D696 VanDerWaalsContact O-N 3.09Å; T694-D696 PolarHBondContact OG1-OD1 2.61Å; T694-K697 WeakPolarHBondContact O-CB 3.38Å; T694-K697 PolarHBondContact O-N 3.32Å; T694-K697 VanDerWaalsContact O-N 3.14Å
695	Y	79.5	Confident	89.1	Confident	203 Å²	203	53.3 Å²	53.3	80%	0.796	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.3	179.6	71.4	-88.4	0	0	0	113.5
696	D	81.9	Confident	88.6	Confident	7 Å²	7	56 Å²	56	4%	0.037	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	16.5	-178.8	72.3	-23	0	0	0	113.5	K655 K690 T694 E698 H699	K655-D696 IonicContact NZ-OD2 3.26Å; K655-D696 PolarHBondContact NZ-OD2 3.49Å; K690-D696 IonicContact NZ-OD1 3.16Å; K690-D696 PolarHBondContact NZ-OD1 2.69Å; K690-D696 IonicContact NZ-OD2 2.74Å; K690-D696 PolarHBondContact NZ-OD2 3.01Å; T694-D696 VanDerWaalsContact CB-OD1 3.3Å; T694-D696 WeakPolarHBondContact CB-OD1 3.2Å; T694-D696 PolarHBondContact O-N 3.48Å; T694-D696 VanDerWaalsContact O-N 3.09Å; T694-D696 PolarHBondContact OG1-OD1 2.61Å; D696-E698 PolarHBondContact O-N 3.08Å; D696-H699 WeakPolarHBondContact CB-ND1 3.28Å; D696-H699 WeakPolarHBondContact O-CB 3.46Å; D696-H699 PolarHBondContact O-N 2.93Å; D696-H699 PolarHBondContact O-ND1 3.22Å
697	K	85.2	Confident	87.6	Confident	99 Å²	99	64.3 Å²	64.3	43%	0.43	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-26.5	-178.9	70	-176.2	-177.3	168.5	0	114.8	V689 G691 G692 T694	V689-K697 WeakPolarHBondContact CG1-O 3.33Å; G691-K697 WeakPolarHBondContact CA-O 3.23Å; G691-K697 PolarHBondContact N-O 3.16Å; G691-K697 WeakPolarHBondContact O-CA 3.5Å; G691-K697 WeakPolarHBondContact O-CB 3.05Å; G692-K697 WeakPolarHBondContact O-CB 3.25Å; T694-K697 WeakPolarHBondContact O-CB 3.38Å; T694-K697 PolarHBondContact O-N 3.32Å; T694-K697 VanDerWaalsContact O-N 3.14Å
698	E	89.8	Confident	86.7	Confident	67 Å²	67	72.9 Å²	72.9	31%	0.313	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-3.6	-178.5	-64.4	172.8	-176.6	0	0	113.1	V615 A616 D696	V615-E698 CarbonylContact C-O 3.49Å; V615-E698 WeakPolarHBondContact CA-O 3.27Å; V615-E698 HydrophobicContact CB-CB 4.49Å; V615-E698 WeakPolarHBondContact CB-O 3.35Å; A616-E698 PolarHBondContact N-O 3.23Å; D696-E698 PolarHBondContact O-N 3.08Å
699	H	93.7	Very high	86	Confident	15 Å²	15	78.4 Å²	78.4	7%	0.069	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-65.2	143.2	175.7	-83	77.8	0	0	0	111.6	R613 K690 D696	R613-H699 PolarHBondContact NE-CE1 3.2Å; R613-H699 PolarHBondContact NE-ND1 2.82Å; R613-H699 PolarHBondContact NE-NE2 2.68Å; R613-H699 VanDerWaalsContact NE-NE2 3.14Å; R613-H699 PolarHBondContact NH2-CE1 3.16Å; R613-H699 PolarHBondContact NH2-ND1 2.62Å; R613-H699 VanDerWaalsContact NH2-ND1 3.1Å; K690-H699 WeakPolarHBondContact CB-O 3.36Å; K690-H699 PolarHBondContact N-O 3.47Å; D696-H699 WeakPolarHBondContact CB-ND1 3.28Å; D696-H699 WeakPolarHBondContact O-CB 3.46Å; D696-H699 PolarHBondContact O-N 2.93Å; D696-H699 PolarHBondContact O-ND1 3.22Å
700	V	95.3	Very high	85.5	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.006	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.6	170.7	178.2	0	0	0	0	108.7	L600 V614 V656 L687 D688 W714	L600-V700 HydrophobicContact CD1-CB 4.34Å; L600-V700 HydrophobicContact CD1-CG1 4.32Å; L600-V700 HydrophobicContact CD1-CG2 3.48Å; L600-V700 VanDerWaalsContact CD1-CG2 3.48Å; V614-V700 HydrophobicContact CG1-CB 4.09Å; V614-V700 HydrophobicContact CG1-CG2 4.11Å; V614-V700 PolarHBondContact O-N 3.08Å; V614-V700 VanDerWaalsContact O-N 3.12Å; V656-V700 HydrophobicContact CB-CB 4.46Å; V656-V700 HydrophobicContact CB-CG1 4.09Å; V656-V700 HydrophobicContact CG2-CG1 4.32Å; V656-V700 PolarHBondContact N-O 3.37Å; L687-V700 HydrophobicContact CB-CG1 4.42Å; L687-V700 HydrophobicContact CD2-CG1 3.92Å; D688-V700 WeakPolarHBondContact O-CA 3.31Å; V700-W714 HydrophobicContact CG2-CH2 4.34Å
701	V	94.8	Very high	85.5	Confident	1 Å²	1	80.1 Å²	80.1	1%	0.006	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	167.9	-176.4	-62.7	0	0	0	0	109.5	A653 A654 L687 D688 K690 M703	A653-V701 WeakPolarHBondContact O-CG1 3.37Å; A654-V701 CarbonylContact O-C 3.55Å; A654-V701 WeakPolarHBondContact O-CA 3.26Å; A654-V701 VanDerWaalsContact O-CB 3.31Å; A654-V701 WeakPolarHBondContact O-CB 3.41Å; L687-V701 WeakPolarHBondContact CA-O 3.49Å; D688-V701 HydrophobicContact CB-CG2 4.28Å; D688-V701 PolarHBondContact N-O 2.86Å; D688-V701 PolarHBondContact O-N 3.27Å; K690-V701 HydrophobicContact CB-CG1 3.98Å; K690-V701 HydrophobicContact CB-CG2 4.39Å; K690-V701 HydrophobicContact CG-CG1 4.35Å; V701-M703 HydrophobicContact CG2-CG 4.15Å
702	V	94.3	Very high	85.8	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	138	165.5	-72.6	0	0	0	0	111.2	V646 A653 A654 V656 W669 M685 V686 L687	V646-V702 HydrophobicContact CG1-CG2 3.74Å; V646-V702 HydrophobicContact CG2-CB 4.42Å; V646-V702 HydrophobicContact CG2-CG1 3.57Å; V646-V702 HydrophobicContact CG2-CG2 3.96Å; A653-V702 WeakPolarHBondContact CA-O 3.46Å; A653-V702 PolarHBondContact N-O 2.79Å; A654-V702 HydrophobicContact CB-CG2 3.87Å; A654-V702 PolarHBondContact O-N 3.49Å; V656-V702 HydrophobicContact CG2-CG1 3.86Å; W669-V702 HydrophobicContact CH2-CG1 3.79Å; W669-V702 HydrophobicContact CZ3-CG1 4.23Å; M685-V702 HydrophobicContact CB-CB 4.39Å; M685-V702 HydrophobicContact CE-CB 4.04Å; M685-V702 HydrophobicContact CE-CG2 3.81Å; V686-V702 WeakPolarHBondContact O-CA 3.44Å; L687-V702 HydrophobicContact CD2-CG1 4.23Å
703	M	93.2	Very high	86.4	Confident	26 Å²	26	80.3 Å²	80.3	13%	0.128	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.4	176.6	-69.1	-65.7	-62	0	0	109.8	P652 A653 M685 V686 D688 V701	P652-M703 HydrophobicContact CB-CE 4.42Å; P652-M703 HydrophobicContact CB-SD 4.26Å; A653-M703 HydrophobicContact CB-SD 4.01Å; A653-M703 PolarHBondContact N-SD 3.16Å; M685-M703 CarbonylContact C-O 3.33Å; M685-M703 WeakPolarHBondContact CA-O 3.3Å; V686-M703 WeakPolarHBondContact CG2-O 3.42Å; V686-M703 PolarHBondContact N-O 3.28Å; V686-M703 PolarHBondContact O-N 2.95Å; D688-M703 HydrophobicContact CB-CB 3.96Å; D688-M703 HydrophobicContact CB-CG 3.58Å; V701-M703 HydrophobicContact CG2-CG 4.15Å
704	P	92.2	Very high	87.2	Confident	54 Å²	54	68.2 Å²	68.2	35%	0.351	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.9	171.5	27.6	-33.7	0	0	0	110.5	P652 G684 M685 N706	P652-P704 HydrophobicContact CG-CG 4.24Å; G684-P704 CarbonylContact O-C 3.51Å; G684-P704 WeakPolarHBondContact O-CA 3.04Å; M685-P704 HydrophobicContact SD-CB 4.02Å; P704-N706 PolarHBondContact O-N 3.43Å
705	E	87.8	Confident	87.8	Confident	113 Å²	113	67.5 Å²	67.5	53%	0.528	33%	0.326	S	S	.	.			trans	-59.9	131.5	167.4	-69.1	-173.1	145.3	0	0	109.6	G684 V686	G684-E705 PolarHBondContact O-N 3.27Å; V686-E705 HydrophobicContact CB-CG 4.4Å; V686-E705 HydrophobicContact CG1-CG 3.49Å; V686-E705 VanDerWaalsContact CG1-CG 3.49Å; V686-E705 WeakPolarHBondContact CG1-OE1 3.03Å; V686-E705 HydrophobicContact CG2-CG 3.99Å
706	N	82.6	Confident	88.3	Confident	76 Å²	76	58.2 Å²	58.2	41%	0.406	29%	0.29	S	S	.	.			trans	-143.8	130.6	-177.6	-173.5	-16.3	0	0	0	109.7	P704 E708 R709	P704-N706 PolarHBondContact O-N 3.43Å; N706-E708 VanDerWaalsContact C-N 3.28Å; N706-E708 PolarHBondContact O-N 3.41Å; N706-E708 WeakPolarHBondContact OD1-CB 3.33Å; N706-E708 PolarHBondContact OD1-N 3.19Å; N706-R709 HydrophobicContact CB-CB 4.5Å; N706-R709 CarbonylContact O-C 3.57Å
707	D	74.3	Confident	88.5	Confident	176 Å²	176	58.6 Å²	58.6	94%	0.941	29%	0.292	S	S	*	.	S	Bend	trans	-68.2	-27.4	177.9	-66.9	-32.3	0	0	0	112.5
708	E	75.1	Confident	88.3	Confident	181 Å²	181	55.3 Å²	55.3	85%	0.846	28%	0.279	S	S	*	.	S	Bend	trans	-83.2	-30.1	-179.7	-61.6	-173.6	167.3	0	0	113	N706	N706-E708 VanDerWaalsContact C-N 3.28Å; N706-E708 PolarHBondContact O-N 3.41Å; N706-E708 WeakPolarHBondContact OD1-CB 3.33Å; N706-E708 PolarHBondContact OD1-N 3.19Å
709	R	79.9	Confident	87.3	Confident	117 Å²	117	56.6 Å²	56.6	44%	0.442	29%	0.287	S	S	.	.	S	Bend	trans	-117.5	99.3	174.5	178.4	-174.2	160.9	169.4	-6.2	108.2	D688 N706 S711	D688-R709 IonicContact OD1-NH2 3.37Å; D688-R709 IonicContact OD2-CZ 2.83Å; D688-R709 IonicContact OD2-NE 2.71Å; D688-R709 IonicContact OD2-NH2 3.34Å; D688-R709 PolarHBondContact OD2-NH2 2.82Å; N706-R709 HydrophobicContact CB-CB 4.5Å; N706-R709 CarbonylContact O-C 3.57Å; R709-S711 PolarHBondContact O-N 3.44Å
710	P	82.4	Confident	87	Confident	109 Å²	109	58.7 Å²	58.7	71%	0.708	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-59.2	127.5	-179.2	24	-32.5	0	0	0	110.3
711	S	89.5	Confident	86.5	Confident	17 Å²	17	61.7 Å²	61.7	12%	0.119	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-59.7	143.9	173.6	-55.1	0	0	0	0	110.6	R709 Q713	R709-S711 PolarHBondContact O-N 3.44Å; S711-Q713 PolarHBondContact O-NE2 3.22Å
712	Q	90.7	Very high	86.1	Confident	34 Å²	34	65.1 Å²	65.1	16%	0.159	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-60.5	140.9	175.5	-77.1	-173	31	0	0	111.7	N593 E595 D688 V689	N593-Q712 PolarHBondContact ND2-OE1 2.88Å; E595-Q712 WeakPolarHBondContact OE1-CA 3.45Å; D688-Q712 WeakPolarHBondContact OD1-CG 3.18Å; D688-Q712 PolarHBondContact OD1-NE2 2.71Å; V689-Q712 PolarHBondContact O-NE2 3.42Å
713	Q	93.9	Very high	85.6	Confident	65 Å²	65	68.9 Å²	68.9	30%	0.304	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-99.6	131.8	-176.8	-59.2	-60.7	-56.9	0	0	110	K594 E595 G675 S711	K594-Q713 HydrophobicContact CB-CB 4.13Å; K594-Q713 WeakPolarHBondContact CB-O 3.37Å; K594-Q713 HydrophobicContact CD-CB 3.94Å; K594-Q713 HydrophobicContact CG-CB 4.23Å; K594-Q713 PolarHBondContact N-O 3.05Å; E595-Q713 PolarHBondContact OE1-N 3.41Å; E595-Q713 PolarHBondContact OE2-N 2.69Å; G675-Q713 VanDerWaalsContact CA-OE1 3.32Å; S711-Q713 PolarHBondContact O-NE2 3.22Å
714	W	95	Very high	85.1	Confident	3 Å²	3	71.6 Å²	71.6	1%	0.011	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	147.1	179	-56.4	89.5	0	0	0	109.9	V591 K592 N593 L600 A616 Q674 G675 I677 L687 V689 V700	V591-W714 HydrophobicContact CG1-CB 3.95Å; V591-W714 HydrophobicContact CG1-CD2 4.2Å; V591-W714 HydrophobicContact CG1-CE3 3.69Å; V591-W714 HydrophobicContact CG1-CG 4.35Å; V591-W714 HydrophobicContact CG1-CZ3 4.49Å; K592-W714 CarbonylContact O-C 3.54Å; K592-W714 WeakPolarHBondContact O-CA 3.33Å; N593-W714 HydrophobicContact CB-CE3 3.8Å; N593-W714 HydrophobicContact CB-CH2 4.15Å; N593-W714 HydrophobicContact CB-CZ3 3.57Å; L600-W714 HydrophobicContact CB-CZ3 4.37Å; L600-W714 HydrophobicContact CD1-CH2 4.39Å; L600-W714 HydrophobicContact CD1-CZ3 4.41Å; A616-W714 HydrophobicContact CB-CH2 4.46Å; Q674-W714 WeakPolarHBondContact CA-O 3.23Å; G675-W714 PolarHBondContact N-O 2.65Å; G675-W714 PolarHBondContact O-N 3.31Å; I677-W714 HydrophobicContact CD1-CB 3.92Å; I677-W714 HydrophobicContact CD1-CD2 4.41Å; I677-W714 HydrophobicContact CD1-CG 3.92Å; I677-W714 HydrophobicContact CG1-CB 4.06Å; I677-W714 HydrophobicContact CG1-CG 4.11Å; L687-W714 HydrophobicContact CB-CZ2 4.44Å; L687-W714 PolarHBondContact O-NE1 2.93Å; V689-W714 HydrophobicContact CG2-CH2 3.67Å; V689-W714 HydrophobicContact CG2-CZ2 3.98Å; V700-W714 HydrophobicContact CG2-CH2 4.34Å
715	E	93.4	Very high	84.7	Confident	53 Å²	53	72.8 Å²	72.8	25%	0.248	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.8	174	178.5	-179.1	-134.5	0	0	108.9	K592 K594 Q674 Q717	K592-E715 HydrophobicContact CB-CB 4.44Å; K592-E715 PolarHBondContact N-O 2.66Å; K592-E715 PolarHBondContact O-N 2.96Å; K594-E715 HydrophobicContact CG-CB 4.4Å; Q674-E715 HydrophobicContact CG-CG 4.36Å; E715-Q717 HydrophobicContact CG-CG 4.14Å; E715-Q717 PolarHBondContact OE2-NE2 3.06Å
716	I	90.1	Very high	84.4	Confident	9 Å²	9	69.9 Å²	69.9	5%	0.046	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.2	175	-59.7	179	0	0	0	108.3	L498 F589 A671 K672 M673 L718	L498-I716 HydrophobicContact CD1-CD1 3.55Å; L498-I716 HydrophobicContact CG-CD1 3.97Å; F589-I716 HydrophobicContact CB-CG2 3.7Å; F589-I716 HydrophobicContact CD1-CG2 4.4Å; F589-I716 HydrophobicContact CD2-CG2 3.82Å; F589-I716 HydrophobicContact CG-CG2 3.73Å; A671-I716 HydrophobicContact CB-CD1 3.75Å; K672-I716 WeakPolarHBondContact O-CD1 3.34Å; M673-I716 HydrophobicContact CE-CB 3.84Å; M673-I716 HydrophobicContact CE-CG2 3.8Å; M673-I716 WeakPolarHBondContact CE-O 3.49Å; M673-I716 PolarHBondContact O-N 2.89Å; M673-I716 HydrophobicContact SD-CB 4.24Å; M673-I716 HydrophobicContact SD-CG2 4.22Å; I716-L718 HydrophobicContact CG2-CD2 4.2Å
717	Q	86.3	Confident	84.6	Confident	15 Å²	15	69.5 Å²	69.5	7%	0.07	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	102.5	179.1	-60.4	-175	-3.1	0	0	109	Y411 F589 R590 E715	Y411-Q717 HydrophobicContact CE1-CB 4.16Å; Y411-Q717 HydrophobicContact CE1-CG 4.01Å; F589-Q717 CarbonylContact C-O 3.54Å; F589-Q717 WeakPolarHBondContact CA-O 3.38Å; F589-Q717 WeakPolarHBondContact CB-O 3.37Å; R590-Q717 HydrophobicContact CB-CB 4.45Å; R590-Q717 PolarHBondContact N-O 3.13Å; R590-Q717 PolarHBondContact O-N 2.9Å; E715-Q717 HydrophobicContact CG-CG 4.14Å; E715-Q717 PolarHBondContact OE2-NE2 3.06Å
718	L	80.1	Confident	85.4	Confident	30 Å²	30	60.6 Å²	60.6	16%	0.157	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	137.4	177.6	-55	177.9	0	0	0	110.5	L412 H587 F589 M673 I716	L412-L718 HydrophobicContact CB-CB 4.43Å; L412-L718 HydrophobicContact CD1-CB 4.48Å; H587-L718 HydrophobicContact CB-CD2 3.93Å; F589-L718 HydrophobicContact CB-CD2 4.16Å; M673-L718 HydrophobicContact CE-CD1 4.13Å; M673-L718 HydrophobicContact CE-CD2 4.04Å; M673-L718 HydrophobicContact CE-CG 3.78Å; I716-L718 HydrophobicContact CG2-CD2 4.2Å
719	L	68.9	Low	86.4	Confident	94 Å²	94	49.6 Å²	49.6	49%	0.492	25%	0.25	S	S	.	.			trans	-100.4	0	-177.9	-66.2	179.7	0	0	0	112.8	L412 F588 R590 I626	L412-L719 WeakPolarHBondContact CD1-O 3.44Å; F588-L719 HydrophobicContact CB-CB 4.21Å; F588-L719 HydrophobicContact CB-CD1 4.19Å; F588-L719 PolarHBondContact O-N 3.39Å; R590-L719 HydrophobicContact CG-CD1 4.02Å; R590-L719 HydrophobicContact CG-CD2 3.98Å; R590-L719 HydrophobicContact CG-CG 4.21Å; I626-L719 HydrophobicContact CB-CD1 4.39Å; I626-L719 HydrophobicContact CD1-CD1 4.04Å; I626-L719 HydrophobicContact CG1-CD1 3.91Å; I626-L719 HydrophobicContact CG2-CD1 3.83Å

Retrieved 719 of 719 residues in 977.9 ms (Link to these results)

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