A0A087XBD8_POEFO Loading...

Sema domain, immunoglobulin domain (Ig), short basic domain, secreted, (semaphorin) 3bl

AlphaFold DB , UniProt , Accession A0A087XBD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 705 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	29.2	Very low	57	Low	219 Å²	219	120.8 Å²	120.8	100%	1.079	68%	0.679	S	S	*	*				0	122.7	0	-70.6	-172.3	-164.5	0	0	105.3	S3	M1-S3 PolarHBondContact O-N 3.14Å
2	L	35.8	Very low	59.7	Low	101 Å²	101	114.7 Å²	114.7	53%	0.529	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-67.2	128.9	170.8	-73.5	156.7	0	0	0	106.9	A434	L2-A434 HydrophobicContact CD1-CB 3.81Å
3	S	38.6	Very low	62.2	Low	102 Å²	102	121.8 Å²	121.8	71%	0.713	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-52	141.4	174.7	-33.1	0	0	0	0	109.3	M1 V5	M1-S3 PolarHBondContact O-N 3.14Å; S3-V5 PolarHBondContact O-N 3.38Å
4	P	47.2	Very low	64.4	Low	108 Å²	108	116.1 Å²	116.1	70%	0.701	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-54.5	133.8	170.7	22.3	-30.5	0	0	0	109.1	S6	P4-S6 WeakPolarHBondContact O-CA 3.44Å; P4-S6 PolarHBondContact O-N 3.31Å
5	V	53.3	Low	66.3	Low	74 Å²	74	111.9 Å²	111.9	45%	0.448	60%	0.602	S	S	.	*	S	Bend	trans	-57.3	-21.8	-175.8	172.2	0	0	0	0	112.2	S3 Q435	S3-V5 PolarHBondContact O-N 3.38Å; V5-Q435 HydrophobicContact CG2-CB 4.38Å
6	S	53	Low	68.1	Low	61 Å²	61	106.6 Å²	106.6	43%	0.427	58%	0.576	S	S	.	*			trans	-177.6	166.2	141.8	71.6	0	0	0	0	107.8	P4 E8	P4-S6 WeakPolarHBondContact O-CA 3.44Å; P4-S6 PolarHBondContact O-N 3.31Å; S6-E8 PolarHBondContact O-N 2.97Å; S6-E8 PolarHBondContact OG-N 3.13Å
7	S	54.9	Low	69.5	Low	119 Å²	119	105 Å²	105	83%	0.832	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	7.5	170.3	54.2	0	0	0	0	114
8	E	66.3	Low	70.8	Confident	165 Å²	165	106.3 Å²	106.3	77%	0.771	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	26.2	-174.7	-64.6	-176.4	165.4	0	0	112.7	S6 K10	S6-E8 PolarHBondContact O-N 2.97Å; S6-E8 PolarHBondContact OG-N 3.13Å; E8-K10 PolarHBondContact O-N 3.24Å
9	S	75.6	Confident	71.9	Confident	99 Å²	99	102.4 Å²	102.4	69%	0.692	57%	0.568	S	S	*	*			trans	-69	124.4	176	57.7	0	0	0	0	111
10	K	84.4	Confident	73	Confident	101 Å²	101	100 Å²	100	44%	0.439	55%	0.551	S	S	.	*			trans	-90.4	143.2	170.2	-59.7	-166.6	173.8	-164.3	0	110.2	E8 E73 H74 F76	E8-K10 PolarHBondContact O-N 3.24Å; K10-E73 IonicContact NZ-OE1 3.8Å; K10-H74 VanDerWaalsContact CD-O 3.32Å; K10-H74 WeakPolarHBondContact CD-O 3.08Å; K10-H74 WeakPolarHBondContact CE-O 3.49Å; K10-H74 PolarHBondContact NZ-O 3.22Å; K10-F76 HydrophobicContact CB-CB 3.58Å; K10-F76 HydrophobicContact CB-CD1 4.1Å; K10-F76 HydrophobicContact CB-CG 4.12Å; K10-F76 HydrophobicContact CD-CB 3.85Å; K10-F76 HydrophobicContact CG-CB 4.29Å
11	E	88.5	Confident	74.1	Confident	180 Å²	180	100.5 Å²	100.5	84%	0.841	55%	0.545	S	S	*	.			trans	-126.8	148.6	-177.1	65.1	179.3	-163.8	0	0	112.3
12	I	90	Very high	77.2	Confident	47 Å²	47	94.8 Å²	94.8	24%	0.241	52%	0.516	C	S	.	.			trans	-128	118.7	170.9	-69.4	169.6	0	0	0	106.9	W14 I64 F76 T78	I12-W14 HydrophobicContact CG2-CB 4.4Å; I12-W14 PolarHBondContact O-N 2.91Å; I12-I64 HydrophobicContact CD1-CD1 4.36Å; I12-I64 HydrophobicContact CD1-CG1 4.35Å; I12-I64 HydrophobicContact CD1-CG2 3.73Å; I12-F76 HydrophobicContact CB-CD1 4.47Å; I12-F76 HydrophobicContact CB-CE1 4.09Å; I12-F76 HydrophobicContact CD1-CD1 3.5Å; I12-F76 HydrophobicContact CD1-CE1 3.46Å; I12-F76 VanDerWaalsContact CD1-CE1 3.46Å; I12-F76 HydrophobicContact CD1-CG 4.13Å; I12-F76 HydrophobicContact CD1-CZ 4.08Å; I12-F76 HydrophobicContact CG1-CD1 3.56Å; I12-F76 HydrophobicContact CG1-CE1 3.61Å; I12-T78 HydrophobicContact CD1-CG2 4.15Å; I12-T78 HydrophobicContact CG1-CG2 4.5Å; I12-T78 HydrophobicContact CG2-CG2 3.43Å; I12-T78 VanDerWaalsContact CG2-CG2 3.43Å
13	Y	91.7	Very high	80	Confident	207 Å²	207	93.5 Å²	93.5	81%	0.812	51%	0.509	S	S	*	.			trans	-79.2	117.8	170.6	-176.5	-114.9	0	0	0	109.8	P15	Y13-P15 HydrophobicContact CD1-CG 4.08Å; Y13-P15 HydrophobicContact CE1-CB 4Å; Y13-P15 HydrophobicContact CE1-CG 3.59Å
14	W	93.2	Very high	82.7	Confident	42 Å²	42	88.9 Å²	88.9	16%	0.159	48%	0.477	C	S	.	.			trans	-130.9	73.9	-173.5	-164.9	30.5	0	0	0	112.6	I12 N36 V38 A51 M60 A62	I12-W14 HydrophobicContact CG2-CB 4.4Å; I12-W14 PolarHBondContact O-N 2.91Å; W14-N36 WeakPolarHBondContact O-CB 3.49Å; W14-N36 PolarHBondContact O-ND2 2.73Å; W14-V38 HydrophobicContact CE3-CG2 4.19Å; W14-V38 HydrophobicContact CZ3-CG2 4.4Å; W14-A51 HydrophobicContact CH2-CB 4.26Å; W14-A51 WeakPolarHBondContact CH2-O 3.48Å; W14-A51 HydrophobicContact CZ3-CB 3.83Å; W14-M60 HydrophobicContact CZ2-CE 3.99Å; W14-M60 HydrophobicContact CZ2-CG 4.27Å; W14-A62 HydrophobicContact CH2-CB 4.12Å; W14-A62 HydrophobicContact CZ2-CB 3.6Å
15	P	93.6	Very high	85	Confident	54 Å²	54	87 Å²	87	35%	0.351	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-72.8	168	179.5	33	-36.8	0	0	0	112	Y13	Y13-P15 HydrophobicContact CD1-CG 4.08Å; Y13-P15 HydrophobicContact CE1-CB 4Å; Y13-P15 HydrophobicContact CE1-CG 3.59Å
16	P	93.9	Very high	87	Confident	27 Å²	27	91 Å²	91	18%	0.175	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-54.9	156.6	166.9	-22	32.9	0	0	0	112.2	K20 N36 A56	P16-K20 HydrophobicContact CB-CB 4.34Å; P16-N36 HydrophobicContact CG-CB 4.07Å; P16-A56 HydrophobicContact CB-CB 3.89Å; P16-A56 HydrophobicContact CG-CB 3.77Å
17	L	92.1	Very high	88.8	Confident	79 Å²	79	92.1 Å²	92.1	41%	0.414	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-60.5	152.1	174.2	-66.3	174.1	0	0	0	111.4	G19 K20 M60	L17-G19 PolarHBondContact O-N 3.12Å; L17-K20 HydrophobicContact CB-CG 3.8Å; L17-K20 VanDerWaalsContact O-CB 3.3Å; L17-K20 WeakPolarHBondContact O-CB 3.42Å; L17-K20 WeakPolarHBondContact O-CG 3.24Å; L17-K20 PolarHBondContact O-N 2.73Å; L17-K20 VanDerWaalsContact O-N 3.09Å; L17-M60 HydrophobicContact CD2-CE 4.26Å; L17-M60 HydrophobicContact CG-CE 4.18Å; L17-M60 HydrophobicContact CG-SD 4.29Å
18	P	92.5	Very high	90.5	Very high	128 Å²	128	89.8 Å²	89.8	83%	0.831	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	136.1	179.5	-26.5	34.9	0	0	0	112.9	K20	P18-K20 PolarHBondContact O-N 2.77Å
19	G	93.2	Very high	91.7	Very high	33 Å²	33	84.5 Å²	84.5	34%	0.34	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-19.9	-178	0	0	0	0	0	114.9	L17 R21 E22 D23	L17-G19 PolarHBondContact O-N 3.12Å; G19-R21 PolarHBondContact O-N 2.8Å; G19-E22 WeakPolarHBondContact CA-OE2 3.39Å; G19-E22 PolarHBondContact N-OE2 2.78Å; G19-E22 PolarHBondContact O-N 2.99Å; G19-D23 PolarHBondContact O-N 2.9Å
20	K	93.5	Very high	92.5	Very high	53 Å²	53	86 Å²	86	23%	0.23	44%	0.444	C	S	.	.	H	α-helix	trans	-72.4	-29.7	-174	-59.3	-47.9	-178.5	177.7	0	114.1	P16 L17 P18 D23 C24 Q58	P16-K20 HydrophobicContact CB-CB 4.34Å; L17-K20 HydrophobicContact CB-CG 3.8Å; L17-K20 VanDerWaalsContact O-CB 3.3Å; L17-K20 WeakPolarHBondContact O-CB 3.42Å; L17-K20 WeakPolarHBondContact O-CG 3.24Å; L17-K20 PolarHBondContact O-N 2.73Å; L17-K20 VanDerWaalsContact O-N 3.09Å; P18-K20 PolarHBondContact O-N 2.77Å; K20-D23 IonicContact NZ-OD2 3.9Å; K20-D23 PolarHBondContact NZ-OD2 3.44Å; K20-C24 VanDerWaalsContact O-CB 3.27Å; K20-C24 WeakPolarHBondContact O-CB 3.25Å; K20-C24 PolarHBondContact O-N 3.41Å; K20-Q58 VanDerWaalsContact NZ-OE1 3.09Å
21	R	94.9	Very high	92.7	Very high	111 Å²	111	87.2 Å²	87.2	42%	0.419	45%	0.451	S	S	.	.	H	α-helix	trans	-67.2	-44.1	174.2	-176.8	175.1	-174.3	-150.1	1.2	110.5	G19 C24 I25 C34	G19-R21 PolarHBondContact O-N 2.8Å; R21-C24 PolarHBondContact O-N 2.97Å; R21-I25 HydrophobicContact CG-CD1 4.18Å; R21-I25 VanDerWaalsContact O-CG1 3.3Å; R21-I25 WeakPolarHBondContact O-CG1 3.29Å; R21-I25 PolarHBondContact O-N 2.75Å; R21-I25 VanDerWaalsContact O-N 3.1Å; R21-C34 HydrophobicContact CG-CB 4.19Å
22	E	95.6	Very high	92.9	Very high	99 Å²	99	83.5 Å²	83.5	46%	0.463	44%	0.441	S	S	.	.	H	α-helix	trans	-64.9	-46.3	178.1	-63.7	71.4	-157.2	0	0	110.8	G19 C24 I25 Q26	G19-E22 WeakPolarHBondContact CA-OE2 3.39Å; G19-E22 PolarHBondContact N-OE2 2.78Å; G19-E22 PolarHBondContact O-N 2.99Å; E22-C24 VanDerWaalsContact C-N 3.32Å; E22-C24 PolarHBondContact O-N 3.24Å; E22-I25 PolarHBondContact O-N 2.69Å; E22-Q26 WeakPolarHBondContact O-CG 3.24Å; E22-Q26 PolarHBondContact O-N 2.75Å
23	D	95.1	Very high	92.9	Very high	74 Å²	74	84.1 Å²	84.1	40%	0.396	44%	0.443	S	S	.	.	H	α-helix	trans	-54.9	-47.7	174.2	-68.2	-15	0	0	0	110.9	G19 K20 I25 Q26 T27	G19-D23 PolarHBondContact O-N 2.9Å; K20-D23 IonicContact NZ-OD2 3.9Å; K20-D23 PolarHBondContact NZ-OD2 3.44Å; D23-I25 PolarHBondContact O-N 3.25Å; D23-Q26 PolarHBondContact O-N 2.92Å; D23-T27 WeakPolarHBondContact O-CG2 3.4Å; D23-T27 PolarHBondContact O-N 3.13Å; D23-T27 VanDerWaalsContact O-N 3.09Å
24	C	95.1	Very high	93.1	Very high	5 Å²	5	74.3 Å²	74.3	3%	0.034	40%	0.404	C	S	.	.	H	α-helix	trans	-58.7	-45.8	179	172.1	0	0	0	0	112.3	K20 R21 E22 Q26 T27 C34 A56 F57	K20-C24 VanDerWaalsContact O-CB 3.27Å; K20-C24 WeakPolarHBondContact O-CB 3.25Å; K20-C24 PolarHBondContact O-N 3.41Å; R21-C24 PolarHBondContact O-N 2.97Å; E22-C24 VanDerWaalsContact C-N 3.32Å; E22-C24 PolarHBondContact O-N 3.24Å; C24-Q26 VanDerWaalsContact C-N 3.32Å; C24-Q26 PolarHBondContact O-N 3.17Å; C24-T27 PolarHBondContact O-N 2.85Å; C24-T27 VanDerWaalsContact O-N 3.15Å; C24-T27 PolarHBondContact O-OG1 3.08Å; C24-C34 HydrophobicContact CB-CB 3.72Å; C24-C34 WeakPolarHBondContact CB-SG 3.36Å; C24-C34 WeakPolarHBondContact SG-CA 3.34Å; C24-C34 WeakPolarHBondContact SG-CB 3.25Å; C24-C34 CovalentContact SG-SG 2.04Å; C24-C34 PolarHBondContact SG-SG 3.47Å; C24-A56 HydrophobicContact CB-CB 4.09Å; C24-F57 WeakPolarHBondContact SG-CD2 3.13Å
25	I	95.1	Very high	93.3	Very high	68 Å²	68	74 Å²	74	35%	0.349	41%	0.411	S	S	.	.	H	α-helix	trans	-64.2	-40	178.4	-64.8	164.1	0	0	0	110.5	R21 E22 D23 T27 G28 Q31 C34	R21-I25 HydrophobicContact CG-CD1 4.18Å; R21-I25 VanDerWaalsContact O-CG1 3.3Å; R21-I25 WeakPolarHBondContact O-CG1 3.29Å; R21-I25 PolarHBondContact O-N 2.75Å; R21-I25 VanDerWaalsContact O-N 3.1Å; E22-I25 PolarHBondContact O-N 2.69Å; D23-I25 PolarHBondContact O-N 3.25Å; I25-T27 PolarHBondContact O-N 3.42Å; I25-G28 PolarHBondContact O-N 2.78Å; I25-Q31 HydrophobicContact CD1-CG 4.11Å; I25-C34 HydrophobicContact CG1-CB 4.17Å
26	Q	94.9	Very high	93.4	Very high	159 Å²	159	72.5 Å²	72.5	74%	0.743	40%	0.4	S	S	*	.	H	α-helix	trans	-63.7	-27.2	176.8	-70.8	175.7	14.7	0	0	113	E22 D23 C24 G28	E22-Q26 WeakPolarHBondContact O-CG 3.24Å; E22-Q26 PolarHBondContact O-N 2.75Å; D23-Q26 PolarHBondContact O-N 2.92Å; C24-Q26 VanDerWaalsContact C-N 3.32Å; C24-Q26 PolarHBondContact O-N 3.17Å; Q26-G28 PolarHBondContact O-N 2.76Å
27	T	91.3	Very high	93.5	Very high	85 Å²	85	75.1 Å²	75.1	52%	0.521	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	3.1	173.2	63.5	0	0	0	0	114.3	D23 C24 I25	D23-T27 WeakPolarHBondContact O-CG2 3.4Å; D23-T27 PolarHBondContact O-N 3.13Å; D23-T27 VanDerWaalsContact O-N 3.09Å; C24-T27 PolarHBondContact O-N 2.85Å; C24-T27 VanDerWaalsContact O-N 3.15Å; C24-T27 PolarHBondContact O-OG1 3.08Å; I25-T27 PolarHBondContact O-N 3.42Å
28	G	91.2	Very high	93.7	Very high	70 Å²	70	75.3 Å²	75.3	72%	0.722	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	13.5	174.8	0	0	0	0	0	115	I25 Q26	I25-G28 PolarHBondContact O-N 2.78Å; Q26-G28 PolarHBondContact O-N 2.76Å
29	K	91.2	Very high	93.8	Very high	54 Å²	54	73.5 Å²	73.5	24%	0.235	39%	0.39	C	S	.	.			trans	-81.2	153.5	174	-68.7	-66.7	-172.1	165.9	0	111.6	F57 D93	K29-F57 HydrophobicContact CB-CE2 4.17Å; K29-F57 HydrophobicContact CD-CE1 3.92Å; K29-F57 HydrophobicContact CD-CE2 3.94Å; K29-F57 HydrophobicContact CD-CZ 3.51Å; K29-F57 VanDerWaalsContact CE-CZ 3.45Å; K29-F57 HydrophobicContact CG-CD2 4.23Å; K29-F57 HydrophobicContact CG-CE1 4.38Å; K29-F57 HydrophobicContact CG-CE2 3.84Å; K29-F57 HydrophobicContact CG-CZ 3.93Å; K29-D93 IonicContact NZ-OD2 2.78Å; K29-D93 PolarHBondContact NZ-OD2 2.84Å
30	E	90.8	Very high	93.9	Very high	130 Å²	130	72.1 Å²	72.1	61%	0.607	37%	0.374	S	S	*	.			trans	-68.9	146.6	177.9	-66.3	-165.7	167.8	0	0	111.3	T32 E33 C34	E30-T32 PolarHBondContact O-N 2.62Å; E30-T32 VanDerWaalsContact O-N 3.11Å; E30-E33 HydrophobicContact CB-CG 4.08Å; E30-E33 PolarHBondContact N-OE2 2.8Å; E30-E33 PolarHBondContact O-N 2.95Å; E30-C34 PolarHBondContact O-N 3.49Å; E30-C34 PolarHBondContact O-SG 2.83Å; E30-C34 VanDerWaalsContact O-SG 3.41Å
31	Q	89.9	Confident	93.9	Very high	127 Å²	127	74.3 Å²	74.3	59%	0.593	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.8	-178	-172.3	176.2	21.8	0	0	113.1	I25	I25-Q31 HydrophobicContact CD1-CG 4.11Å
32	T	91.3	Very high	93.8	Very high	101 Å²	101	71 Å²	71	62%	0.62	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-30.7	176.1	45.2	0	0	0	0	112.7	E30	E30-T32 PolarHBondContact O-N 2.62Å; E30-T32 VanDerWaalsContact O-N 3.11Å
33	E	92	Very high	93.5	Very high	60 Å²	60	70.1 Å²	70.1	28%	0.28	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-23.5	178.1	-60.2	179.8	143.3	0	0	112.2	E30 A35 F37 F57	E30-E33 HydrophobicContact CB-CG 4.08Å; E30-E33 PolarHBondContact N-OE2 2.8Å; E30-E33 PolarHBondContact O-N 2.95Å; E33-A35 PolarHBondContact O-N 2.95Å; E33-F37 WeakPolarHBondContact O-CE2 3.31Å; E33-F57 HydrophobicContact CB-CE2 3.89Å; E33-F57 HydrophobicContact CB-CZ 4.22Å
34	C	95.8	Very high	93.1	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.007	38%	0.378	C	S	.	.	S	Bend	trans	-78.2	49.4	177.8	-62.3	0	0	0	0	113.2	R21 C24 I25 E30 A56	R21-C34 HydrophobicContact CG-CB 4.19Å; C24-C34 HydrophobicContact CB-CB 3.72Å; C24-C34 WeakPolarHBondContact CB-SG 3.36Å; C24-C34 WeakPolarHBondContact SG-CA 3.34Å; C24-C34 WeakPolarHBondContact SG-CB 3.25Å; C24-C34 CovalentContact SG-SG 2.04Å; C24-C34 PolarHBondContact SG-SG 3.47Å; I25-C34 HydrophobicContact CG1-CB 4.17Å; E30-C34 PolarHBondContact O-N 3.49Å; E30-C34 PolarHBondContact O-SG 2.83Å; E30-C34 VanDerWaalsContact O-SG 3.41Å; C34-A56 HydrophobicContact CB-CB 4.37Å
35	A	95.7	Very high	92.7	Very high	37 Å²	37	74 Å²	74	31%	0.306	40%	0.395	S	S	.	.	S	Bend	trans	-120.9	172.7	174.6	0	0	0	0	0	111.2	E33 F37 T54 A56	E33-A35 PolarHBondContact O-N 2.95Å; A35-F37 HydrophobicContact CB-CD2 4.24Å; A35-F37 HydrophobicContact CB-CE2 3.76Å; A35-F37 HydrophobicContact CB-CZ 4.29Å; A35-T54 PolarHBondContact O-OG1 3.13Å; A35-T54 VanDerWaalsContact O-OG1 3.14Å; A35-A56 WeakPolarHBondContact O-CA 3.33Å; A35-A56 PolarHBondContact O-N 3.14Å
36	N	96.4	Very high	92.2	Very high	22 Å²	22	80.7 Å²	80.7	12%	0.118	42%	0.416	C	S	.	.			trans	-92.3	97.6	171.6	-175.7	27	0	0	0	109.4	W14 P16 G53 T54 G55	W14-N36 WeakPolarHBondContact O-CB 3.49Å; W14-N36 PolarHBondContact O-ND2 2.73Å; P16-N36 HydrophobicContact CG-CB 4.07Å; N36-G53 VanDerWaalsContact OD1-CA 3.24Å; N36-G53 WeakPolarHBondContact OD1-CA 3.37Å; N36-T54 PolarHBondContact OD1-N 2.9Å; N36-G55 PolarHBondContact OD1-N 3.32Å
37	F	96.1	Very high	91.9	Very high	81 Å²	81	74.2 Å²	74.2	36%	0.355	39%	0.387	S	S	.	.			trans	-86.4	115.4	175	-66.6	-96.3	0	0	0	108.6	E33 A35 R39 G53 T54 P94	E33-F37 WeakPolarHBondContact O-CE2 3.31Å; A35-F37 HydrophobicContact CB-CD2 4.24Å; A35-F37 HydrophobicContact CB-CE2 3.76Å; A35-F37 HydrophobicContact CB-CZ 4.29Å; F37-R39 WeakPolarHBondContact O-CG 3.45Å; F37-R39 PolarHBondContact O-N 2.69Å; F37-G53 CarbonylContact O-C 3.52Å; F37-G53 WeakPolarHBondContact O-CA 3.24Å; F37-T54 HydrophobicContact CB-CG2 4.04Å; F37-T54 PolarHBondContact N-OG1 3.02Å; F37-T54 PolarHBondContact O-N 3.33Å; F37-P94 HydrophobicContact CB-CB 3.9Å; F37-P94 HydrophobicContact CD1-CB 4.15Å; F37-P94 HydrophobicContact CD2-CB 3.63Å; F37-P94 HydrophobicContact CD2-CG 3.83Å; F37-P94 HydrophobicContact CE2-CB 4.15Å; F37-P94 HydrophobicContact CE2-CG 3.94Å; F37-P94 HydrophobicContact CG-CB 3.62Å; F37-P94 HydrophobicContact CG-CG 4.31Å
38	V	95.8	Very high	91.9	Very high	84 Å²	84	72.8 Å²	72.8	51%	0.509	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	120.6	175.5	-178.5	0	0	0	0	108.7	W14	W14-V38 HydrophobicContact CE3-CG2 4.19Å; W14-V38 HydrophobicContact CZ3-CG2 4.4Å
39	R	95.5	Very high	91.9	Very high	89 Å²	89	71.1 Å²	71.1	34%	0.336	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-21	-178.2	-57.7	-59.7	-72.5	179.7	-10.6	112.8	F37 C52 T54 V90 P94 F96 F98	F37-R39 WeakPolarHBondContact O-CG 3.45Å; F37-R39 PolarHBondContact O-N 2.69Å; R39-C52 PolarHBondContact N-O 3.39Å; R39-T54 HydrophobicContact CG-CG2 3.88Å; R39-V90 HydrophobicContact CB-CB 4.05Å; R39-V90 HydrophobicContact CB-CG1 3.82Å; R39-P94 PolarHBondContact NH1-O 2.98Å; R39-P94 VanDerWaalsContact NH1-O 3.11Å; R39-P94 PolarHBondContact NH2-O 3.1Å; R39-P94 VanDerWaalsContact NH2-O 3.15Å; R39-F96 PolarHBondContact NH2-O 3.41Å; R39-F98 WeakPolarHBondContact O-CE1 2.98Å
40	L	95.4	Very high	92	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131	179.9	-176	68.8	0	0	0	109.6	Q42 L50 A51 C52 V90 F98 S100 L107	L40-Q42 HydrophobicContact CD1-CB 4.47Å; L40-Q42 HydrophobicContact CD1-CG 3.78Å; L40-L50 HydrophobicContact CD2-CD2 3.85Å; L40-L50 HydrophobicContact CD2-CG 4.34Å; L40-A51 CarbonylContact O-C 3.46Å; L40-A51 VanDerWaalsContact O-CA 3.3Å; L40-A51 WeakPolarHBondContact O-CA 3.33Å; L40-C52 HydrophobicContact CB-CB 3.92Å; L40-C52 HydrophobicContact CD2-CB 4.26Å; L40-C52 PolarHBondContact N-O 3.05Å; L40-C52 VanDerWaalsContact N-O 3.07Å; L40-C52 PolarHBondContact O-N 3.03Å; L40-V90 HydrophobicContact CB-CG1 3.69Å; L40-F98 HydrophobicContact CB-CE1 4.41Å; L40-F98 HydrophobicContact CD1-CE1 4.18Å; L40-F98 HydrophobicContact CD1-CZ 4.1Å; L40-S100 WeakPolarHBondContact CD1-OG 3.42Å; L40-L107 HydrophobicContact CD2-CD1 4.21Å; L40-L107 HydrophobicContact CD2-CD2 3.76Å
41	L	93.8	Very high	92.3	Very high	100 Å²	100	62.4 Å²	62.4	52%	0.524	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	102.2	167.8	-175.1	66.9	0	0	0	108.3	L49 L50 A51 I64	L41-L49 HydrophobicContact CD1-CB 4.17Å; L41-L49 HydrophobicContact CD1-CD1 4Å; L41-L49 HydrophobicContact CG-CD1 4.44Å; L41-L50 WeakPolarHBondContact CA-O 3.47Å; L41-A51 HydrophobicContact CD1-CB 3.92Å; L41-I64 HydrophobicContact CD1-CD1 4.2Å
42	Q	91	Very high	92.6	Very high	40 Å²	40	56.4 Å²	56.4	19%	0.187	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.6	-174.8	-74.5	-175.6	-21.6	0	0	111.9	L40 Y44 L49 L50 S100 F102	L40-Q42 HydrophobicContact CD1-CB 4.47Å; L40-Q42 HydrophobicContact CD1-CG 3.78Å; Q42-Y44 PolarHBondContact O-N 2.74Å; Q42-L49 CarbonylContact O-C 3.47Å; Q42-L49 WeakPolarHBondContact O-CA 3.48Å; Q42-L50 PolarHBondContact N-O 2.77Å; Q42-L50 PolarHBondContact O-N 2.89Å; Q42-S100 PolarHBondContact NE2-O 2.84Å; Q42-S100 PolarHBondContact NE2-OG 2.89Å; Q42-F102 HydrophobicContact CB-CD2 3.8Å; Q42-F102 HydrophobicContact CB-CE2 3.79Å; Q42-F102 HydrophobicContact CG-CD2 4.44Å; Q42-F102 VanDerWaalsContact OE1-CE2 3.27Å
43	P	89.6	Confident	92.8	Very high	82 Å²	82	51.6 Å²	51.6	53%	0.532	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	119.3	172.2	-19.7	32.1	0	0	0	110.6	L49	P43-L49 HydrophobicContact CB-CD2 4.32Å; P43-L49 HydrophobicContact CG-CD2 4.41Å
44	Y	86.8	Confident	93.1	Very high	89 Å²	89	48.7 Å²	48.7	35%	0.349	24%	0.238	S	C	.	.			trans	-89	-46.6	176.8	175.9	-113.5	0	0	0	111.1	Q42 H48 F63 F102 M126	Q42-Y44 PolarHBondContact O-N 2.74Å; Y44-H48 WeakPolarHBondContact CB-O 3.2Å; Y44-H48 HydrophobicContact CD1-CB 4.43Å; Y44-H48 PolarHBondContact N-O 3.31Å; Y44-F63 AromaticContact CD1-CD1 3.75Å; Y44-F63 HydrophobicContact CD1-CD1 3.75Å; Y44-F63 AromaticContact CD1-CE1 3.48Å; Y44-F63 HydrophobicContact CD1-CE1 3.48Å; Y44-F63 VanDerWaalsContact CD1-CE1 3.48Å; Y44-F63 AromaticContact CD2-CE1 3.82Å; Y44-F63 HydrophobicContact CD2-CE1 3.82Å; Y44-F63 HydrophobicContact CE1-CD1 4.18Å; Y44-F63 AromaticContact CE1-CE1 3.6Å; Y44-F63 HydrophobicContact CE1-CE1 3.6Å; Y44-F63 HydrophobicContact CE1-CZ 4.25Å; Y44-F63 AromaticContact CE2-CE1 3.94Å; Y44-F63 HydrophobicContact CE2-CE1 3.94Å; Y44-F63 HydrophobicContact CE2-CZ 4.45Å; Y44-F63 HydrophobicContact CG-CD1 4Å; Y44-F63 AromaticContact CG-CE1 3.59Å; Y44-F63 HydrophobicContact CG-CE1 3.59Å; Y44-F63 AromaticContact CZ-CE1 3.83Å; Y44-F102 HydrophobicContact CD2-CE1 4.4Å; Y44-M126 HydrophobicContact CD2-CE 4.15Å; Y44-M126 HydrophobicContact CE2-CE 3.71Å
45	N	86.8	Confident	93.1	Very high	72 Å²	72	48.7 Å²	48.7	39%	0.385	24%	0.238	S	C	.	.	S	Bend	trans	-147.2	-164.8	174.1	66	30.3	0	0	0	110	T47 H48	N45-T47 PolarHBondContact O-N 2.77Å; N45-T47 PolarHBondContact OD1-N 2.81Å; N45-T47 PolarHBondContact OD1-OG1 2.81Å; N45-T47 VanDerWaalsContact OD1-OG1 3.1Å; N45-H48 PolarHBondContact N-O 2.9Å; N45-H48 VanDerWaalsContact N-O 3.16Å; N45-H48 PolarHBondContact OD1-N 2.94Å
46	R	86.2	Confident	93.1	Very high	208 Å²	208	47.1 Å²	47.1	79%	0.785	23%	0.225	S	C	*	.	S	Bend	trans	-66.4	-20.9	-178.5	-70.2	-175.3	177.3	167.9	-0.4	114.1
47	T	88.4	Confident	93	Very high	22 Å²	22	46.4 Å²	46.4	14%	0.135	22%	0.221	C	C	.	.	S	Bend	trans	-122.9	-15.1	-171.2	55.4	0	0	0	0	114.4	N45 Y65 V66 G67 H68	N45-T47 PolarHBondContact O-N 2.77Å; N45-T47 PolarHBondContact OD1-N 2.81Å; N45-T47 PolarHBondContact OD1-OG1 2.81Å; N45-T47 VanDerWaalsContact OD1-OG1 3.1Å; T47-Y65 HydrophobicContact CG2-CE2 4.45Å; T47-Y65 WeakPolarHBondContact O-CD2 3.28Å; T47-V66 WeakPolarHBondContact O-CG2 3.35Å; T47-V66 PolarHBondContact O-N 2.87Å; T47-G67 WeakPolarHBondContact CA-O 3.41Å; T47-H68 WeakPolarHBondContact CG2-CE1 3.36Å
48	H	89.9	Confident	93	Very high	55 Å²	55	46.1 Å²	46.1	26%	0.255	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.2	-176.2	-64.7	75.2	0	0	0	111.9	Y44 N45 I64 Y65	Y44-H48 WeakPolarHBondContact CB-O 3.2Å; Y44-H48 HydrophobicContact CD1-CB 4.43Å; Y44-H48 PolarHBondContact N-O 3.31Å; N45-H48 PolarHBondContact N-O 2.9Å; N45-H48 VanDerWaalsContact N-O 3.16Å; N45-H48 PolarHBondContact OD1-N 2.94Å; H48-I64 CarbonylContact C-O 3.59Å; H48-I64 WeakPolarHBondContact CA-O 3.36Å; H48-Y65 AromaticContact CE1-CD2 3.63Å; H48-Y65 AromaticContact NE2-CD2 3.74Å
49	L	92.4	Very high	93	Very high	35 Å²	35	42.5 Å²	42.5	18%	0.183	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	145.5	161.9	-52.7	178.2	0	0	0	109	L41 Q42 P43 F63 I64 V66 F76	L41-L49 HydrophobicContact CD1-CB 4.17Å; L41-L49 HydrophobicContact CD1-CD1 4Å; L41-L49 HydrophobicContact CG-CD1 4.44Å; Q42-L49 CarbonylContact O-C 3.47Å; Q42-L49 WeakPolarHBondContact O-CA 3.48Å; P43-L49 HydrophobicContact CB-CD2 4.32Å; P43-L49 HydrophobicContact CG-CD2 4.41Å; L49-F63 CarbonylContact O-C 3.38Å; L49-F63 WeakPolarHBondContact O-CA 3.48Å; L49-I64 HydrophobicContact CB-CB 4.31Å; L49-I64 PolarHBondContact N-O 3.47Å; L49-I64 PolarHBondContact O-N 2.82Å; L49-V66 HydrophobicContact CD1-CG1 3.74Å; L49-V66 HydrophobicContact CG-CG1 3.75Å; L49-V66 HydrophobicContact CG-CG2 4.31Å; L49-F76 HydrophobicContact CD1-CE2 4.46Å
50	L	93.4	Very high	93	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.9	161.8	178.2	69	0	0	0	108.3	L40 L41 Q42 C61 F63 F102 L107 M126	L40-L50 HydrophobicContact CD2-CD2 3.85Å; L40-L50 HydrophobicContact CD2-CG 4.34Å; L41-L50 WeakPolarHBondContact CA-O 3.47Å; Q42-L50 PolarHBondContact N-O 2.77Å; Q42-L50 PolarHBondContact O-N 2.89Å; L50-C61 HydrophobicContact CD1-CB 4.16Å; L50-F63 HydrophobicContact CD1-CD1 4.21Å; L50-F63 HydrophobicContact CD1-CE1 3.89Å; L50-F63 HydrophobicContact CD1-CZ 4.21Å; L50-F102 HydrophobicContact CB-CZ 4.48Å; L50-F102 HydrophobicContact CD2-CE2 4.05Å; L50-F102 HydrophobicContact CD2-CZ 3.56Å; L50-L107 HydrophobicContact CD2-CD2 4.32Å; L50-M126 HydrophobicContact CD1-CE 4.42Å; L50-M126 HydrophobicContact CD2-CE 4.07Å; L50-M126 HydrophobicContact CD2-SD 3.52Å; L50-M126 VanDerWaalsContact CD2-SD 3.52Å
51	A	95.5	Very high	93	Very high	2 Å²	2	38.4 Å²	38.4	2%	0.017	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.7	170.3	0	0	0	0	0	109.8	W14 L40 L41 C61 A62 I64	W14-A51 HydrophobicContact CH2-CB 4.26Å; W14-A51 WeakPolarHBondContact CH2-O 3.48Å; W14-A51 HydrophobicContact CZ3-CB 3.83Å; L40-A51 CarbonylContact O-C 3.46Å; L40-A51 VanDerWaalsContact O-CA 3.3Å; L40-A51 WeakPolarHBondContact O-CA 3.33Å; L41-A51 HydrophobicContact CD1-CB 3.92Å; A51-C61 CarbonylContact O-C 3.6Å; A51-C61 WeakPolarHBondContact O-CA 3.47Å; A51-A62 PolarHBondContact N-O 2.8Å; A51-A62 PolarHBondContact O-N 2.81Å; A51-I64 HydrophobicContact CB-CD1 3.56Å; A51-I64 HydrophobicContact CB-CG1 4.08Å
52	C	96.3	Very high	93.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.2	172.4	-55.8	0	0	0	0	110.8	R39 L40 M60 C61 V90	R39-C52 PolarHBondContact N-O 3.39Å; L40-C52 HydrophobicContact CB-CB 3.92Å; L40-C52 HydrophobicContact CD2-CB 4.26Å; L40-C52 PolarHBondContact N-O 3.05Å; L40-C52 VanDerWaalsContact N-O 3.07Å; L40-C52 PolarHBondContact O-N 3.03Å; C52-M60 CarbonylContact C-O 3.51Å; C52-M60 VanDerWaalsContact CA-O 3.25Å; C52-M60 WeakPolarHBondContact CA-O 3.49Å; C52-C61 HydrophobicContact CB-CB 4.07Å; C52-C61 WeakPolarHBondContact CB-SG 3.36Å; C52-C61 WeakPolarHBondContact SG-CB 3.38Å; C52-C61 CovalentContact SG-SG 2.03Å; C52-C61 PolarHBondContact SG-SG 2.92Å; C52-V90 HydrophobicContact CB-CB 4.36Å; C52-V90 HydrophobicContact CB-CG1 3.46Å; C52-V90 VanDerWaalsContact CB-CG1 3.46Å; C52-V90 HydrophobicContact CB-CG2 3.93Å
53	G	96.9	Very high	93.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	170.5	177.3	0	0	0	0	0	113	N36 F37 G55 P59 M60	N36-G53 VanDerWaalsContact OD1-CA 3.24Å; N36-G53 WeakPolarHBondContact OD1-CA 3.37Å; F37-G53 CarbonylContact O-C 3.52Å; F37-G53 WeakPolarHBondContact O-CA 3.24Å; G53-G55 PolarHBondContact O-N 3.1Å; G53-P59 WeakPolarHBondContact O-CA 3.41Å; G53-M60 PolarHBondContact N-O 3.19Å; G53-M60 PolarHBondContact O-N 3.35Å
54	T	96.6	Very high	93.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.139	C	C	.	.			trans	-67.9	-20.5	-174.1	58.7	0	0	0	0	113.8	A35 N36 F37 R39 A56 F57 Q58 H92 P94	A35-T54 PolarHBondContact O-OG1 3.13Å; A35-T54 VanDerWaalsContact O-OG1 3.14Å; N36-T54 PolarHBondContact OD1-N 2.9Å; F37-T54 HydrophobicContact CB-CG2 4.04Å; F37-T54 PolarHBondContact N-OG1 3.02Å; F37-T54 PolarHBondContact O-N 3.33Å; R39-T54 HydrophobicContact CG-CG2 3.88Å; T54-A56 VanDerWaalsContact C-N 3.3Å; T54-A56 PolarHBondContact O-N 3.08Å; T54-F57 CarbonylContact O-C 3.56Å; T54-F57 WeakPolarHBondContact O-CA 3.41Å; T54-F57 PolarHBondContact O-N 3.01Å; T54-Q58 CarbonylContact O-C 3.52Å; T54-Q58 PolarHBondContact O-N 3.32Å; T54-H92 WeakPolarHBondContact CB-O 3.5Å; T54-P94 HydrophobicContact CG2-CB 4.07Å
55	G	95.8	Very high	93.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	43	176.9	0	0	0	0	0	114.6	N36 G53 Q58	N36-G55 PolarHBondContact OD1-N 3.32Å; G53-G55 PolarHBondContact O-N 3.1Å; G55-Q58 WeakPolarHBondContact CA-O 3.46Å; G55-Q58 PolarHBondContact O-N 3.01Å
56	A	96.4	Very high	93.6	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.033	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	57.7	-171.4	0	0	0	0	0	112.6	P16 C24 C34 A35 T54 Q58	P16-A56 HydrophobicContact CB-CB 3.89Å; P16-A56 HydrophobicContact CG-CB 3.77Å; C24-A56 HydrophobicContact CB-CB 4.09Å; C34-A56 HydrophobicContact CB-CB 4.37Å; A35-A56 WeakPolarHBondContact O-CA 3.33Å; A35-A56 PolarHBondContact O-N 3.14Å; T54-A56 VanDerWaalsContact C-N 3.3Å; T54-A56 PolarHBondContact O-N 3.08Å; A56-Q58 PolarHBondContact O-N 3.21Å
57	F	95.3	Very high	93.5	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.026	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	14.5	-174.9	-62	-103.5	0	0	0	115.2	C24 K29 E33 T54 H92 D93 F115	C24-F57 WeakPolarHBondContact SG-CD2 3.13Å; K29-F57 HydrophobicContact CB-CE2 4.17Å; K29-F57 HydrophobicContact CD-CE1 3.92Å; K29-F57 HydrophobicContact CD-CE2 3.94Å; K29-F57 HydrophobicContact CD-CZ 3.51Å; K29-F57 VanDerWaalsContact CE-CZ 3.45Å; K29-F57 HydrophobicContact CG-CD2 4.23Å; K29-F57 HydrophobicContact CG-CE1 4.38Å; K29-F57 HydrophobicContact CG-CE2 3.84Å; K29-F57 HydrophobicContact CG-CZ 3.93Å; E33-F57 HydrophobicContact CB-CE2 3.89Å; E33-F57 HydrophobicContact CB-CZ 4.22Å; T54-F57 CarbonylContact O-C 3.56Å; T54-F57 WeakPolarHBondContact O-CA 3.41Å; T54-F57 PolarHBondContact O-N 3.01Å; F57-H92 WeakPolarHBondContact CA-O 3.17Å; F57-H92 HydrophobicContact CD1-CB 4.45Å; F57-H92 PolarHBondContact O-ND1 3.33Å; F57-D93 HydrophobicContact CD1-CB 4.33Å; F57-D93 HydrophobicContact CE1-CB 3.71Å; F57-D93 VanDerWaalsContact CE1-OD2 3.3Å; F57-D93 WeakPolarHBondContact CE1-OD2 3.38Å; F57-F115 HydrophobicContact CB-CD2 3.85Å; F57-F115 HydrophobicContact CB-CE2 3.55Å; F57-F115 HydrophobicContact CD1-CD2 4.02Å; F57-F115 AromaticContact CD1-CE2 3.67Å; F57-F115 HydrophobicContact CD1-CE2 3.67Å; F57-F115 HydrophobicContact CG-CD2 4.35Å; F57-F115 AromaticContact CG-CE2 3.83Å; F57-F115 HydrophobicContact CG-CE2 3.83Å
58	Q	95.4	Very high	93.2	Very high	76 Å²	76	22.1 Å²	22.1	36%	0.355	11%	0.106	S	C	.	.	S	Bend	trans	-120.3	88.8	163.6	-93.6	-175.9	5.6	0	0	110.5	K20 T54 G55 A56 M60	K20-Q58 VanDerWaalsContact NZ-OE1 3.09Å; T54-Q58 CarbonylContact O-C 3.52Å; T54-Q58 PolarHBondContact O-N 3.32Å; G55-Q58 WeakPolarHBondContact CA-O 3.46Å; G55-Q58 PolarHBondContact O-N 3.01Å; A56-Q58 PolarHBondContact O-N 3.21Å; Q58-M60 PolarHBondContact O-N 3.22Å
59	P	95.9	Very high	92	Very high	7 Å²	7	29.6 Å²	29.6	5%	0.045	13%	0.132	C	C	.	.			trans	-47.3	130.5	-180	-35.9	40.1	0	0	0	113.7	G53 G86 V90 H92	G53-P59 WeakPolarHBondContact O-CA 3.41Å; P59-G86 WeakPolarHBondContact CB-O 3.48Å; P59-G86 WeakPolarHBondContact O-CA 3.42Å; P59-G86 PolarHBondContact O-N 3.26Å; P59-V90 HydrophobicContact CB-CG2 3.81Å; P59-V90 HydrophobicContact CG-CG2 4.46Å; P59-H92 WeakPolarHBondContact CD-CE1 2.97Å; P59-H92 WeakPolarHBondContact CD-ND1 3.42Å; P59-H92 HydrophobicContact CG-CB 4.37Å
60	M	95.6	Very high	90.4	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.034	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.4	-177.3	58.4	-171.1	-78.6	0	0	111	W14 L17 C52 G53 Q58 V83 E84	W14-M60 HydrophobicContact CZ2-CE 3.99Å; W14-M60 HydrophobicContact CZ2-CG 4.27Å; L17-M60 HydrophobicContact CD2-CE 4.26Å; L17-M60 HydrophobicContact CG-CE 4.18Å; L17-M60 HydrophobicContact CG-SD 4.29Å; C52-M60 CarbonylContact C-O 3.51Å; C52-M60 VanDerWaalsContact CA-O 3.25Å; C52-M60 WeakPolarHBondContact CA-O 3.49Å; G53-M60 PolarHBondContact N-O 3.19Å; G53-M60 PolarHBondContact O-N 3.35Å; Q58-M60 PolarHBondContact O-N 3.22Å; M60-V83 HydrophobicContact CB-CG1 3.79Å; M60-V83 HydrophobicContact CE-CG1 3.83Å; M60-V83 HydrophobicContact CE-CG2 4.23Å; M60-E84 WeakPolarHBondContact CA-O 3Å
61	C	95.4	Very high	89.1	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.2	-179.9	-63.2	0	0	0	0	111.6	L50 A51 C52 V83 E84 G86 K89	L50-C61 HydrophobicContact CD1-CB 4.16Å; A51-C61 CarbonylContact O-C 3.6Å; A51-C61 WeakPolarHBondContact O-CA 3.47Å; C52-C61 HydrophobicContact CB-CB 4.07Å; C52-C61 WeakPolarHBondContact CB-SG 3.36Å; C52-C61 WeakPolarHBondContact SG-CB 3.38Å; C52-C61 CovalentContact SG-SG 2.03Å; C52-C61 PolarHBondContact SG-SG 2.92Å; C61-V83 CarbonylContact O-C 3.52Å; C61-V83 WeakPolarHBondContact O-CA 3.34Å; C61-E84 HydrophobicContact CB-CB 4.3Å; C61-E84 PolarHBondContact N-O 3.16Å; C61-E84 PolarHBondContact O-N 2.99Å; C61-G86 WeakPolarHBondContact SG-CA 3.5Å; C61-K89 WeakPolarHBondContact SG-CD 3.4Å
62	A	94.8	Very high	87.2	Confident	2 Å²	2	45.9 Å²	45.9	2%	0.017	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	154.6	172.9	0	0	0	0	0	110.4	W14 A51	W14-A62 HydrophobicContact CH2-CB 4.12Å; W14-A62 HydrophobicContact CZ2-CB 3.6Å; A51-A62 PolarHBondContact N-O 2.8Å; A51-A62 PolarHBondContact O-N 2.81Å
63	F	92.5	Very high	85.7	Confident	49 Å²	49	52.5 Å²	52.5	22%	0.215	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.9	170.7	-64.1	-81.2	0	0	0	109.7	Y44 L49 L50 M126	Y44-F63 AromaticContact CD1-CD1 3.75Å; Y44-F63 HydrophobicContact CD1-CD1 3.75Å; Y44-F63 AromaticContact CD1-CE1 3.48Å; Y44-F63 HydrophobicContact CD1-CE1 3.48Å; Y44-F63 VanDerWaalsContact CD1-CE1 3.48Å; Y44-F63 AromaticContact CD2-CE1 3.82Å; Y44-F63 HydrophobicContact CD2-CE1 3.82Å; Y44-F63 HydrophobicContact CE1-CD1 4.18Å; Y44-F63 AromaticContact CE1-CE1 3.6Å; Y44-F63 HydrophobicContact CE1-CE1 3.6Å; Y44-F63 HydrophobicContact CE1-CZ 4.25Å; Y44-F63 AromaticContact CE2-CE1 3.94Å; Y44-F63 HydrophobicContact CE2-CE1 3.94Å; Y44-F63 HydrophobicContact CE2-CZ 4.45Å; Y44-F63 HydrophobicContact CG-CD1 4Å; Y44-F63 AromaticContact CG-CE1 3.59Å; Y44-F63 HydrophobicContact CG-CE1 3.59Å; Y44-F63 AromaticContact CZ-CE1 3.83Å; L49-F63 CarbonylContact O-C 3.38Å; L49-F63 WeakPolarHBondContact O-CA 3.48Å; L50-F63 HydrophobicContact CD1-CD1 4.21Å; L50-F63 HydrophobicContact CD1-CE1 3.89Å; L50-F63 HydrophobicContact CD1-CZ 4.21Å; F63-M126 HydrophobicContact CE1-CE 4.18Å; F63-M126 HydrophobicContact CZ-CE 3.89Å
64	I	93	Very high	84.3	Confident	13 Å²	13	58.6 Å²	58.6	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.9	177.2	-58.4	176.3	0	0	0	108.1	I12 L41 H48 L49 A51 V66 F76 T77	I12-I64 HydrophobicContact CD1-CD1 4.36Å; I12-I64 HydrophobicContact CD1-CG1 4.35Å; I12-I64 HydrophobicContact CD1-CG2 3.73Å; L41-I64 HydrophobicContact CD1-CD1 4.2Å; H48-I64 CarbonylContact C-O 3.59Å; H48-I64 WeakPolarHBondContact CA-O 3.36Å; L49-I64 HydrophobicContact CB-CB 4.31Å; L49-I64 PolarHBondContact N-O 3.47Å; L49-I64 PolarHBondContact O-N 2.82Å; A51-I64 HydrophobicContact CB-CD1 3.56Å; A51-I64 HydrophobicContact CB-CG1 4.08Å; I64-V66 HydrophobicContact CG2-CG1 4.16Å; I64-F76 HydrophobicContact CD1-CE2 4.49Å; I64-F76 HydrophobicContact CD1-CZ 4.16Å; I64-F76 HydrophobicContact CG2-CD2 3.78Å; I64-F76 HydrophobicContact CG2-CE2 3.62Å; I64-F76 HydrophobicContact CG2-CG 4.36Å; I64-F76 HydrophobicContact CG2-CZ 4.07Å; I64-T77 CarbonylContact C-O 3.59Å
65	Y	90.9	Very high	83.6	Confident	73 Å²	73	60.7 Å²	60.7	29%	0.286	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.4	174.5	-179.4	-110	0	0	0	110.4	T47 H48 V75 F76 T77	T47-Y65 HydrophobicContact CG2-CE2 4.45Å; T47-Y65 WeakPolarHBondContact O-CD2 3.28Å; H48-Y65 AromaticContact CE1-CD2 3.63Å; H48-Y65 AromaticContact NE2-CD2 3.74Å; Y65-V75 HydrophobicContact CD1-CB 3.98Å; Y65-V75 HydrophobicContact CD1-CG1 3.75Å; Y65-V75 HydrophobicContact CE1-CB 4Å; Y65-V75 HydrophobicContact CE1-CG1 4.09Å; Y65-V75 HydrophobicContact CE1-CG2 4.16Å; Y65-F76 WeakPolarHBondContact O-CA 3.22Å; Y65-T77 PolarHBondContact N-O 3.44Å; Y65-T77 PolarHBondContact O-N 2.73Å; Y65-T77 VanDerWaalsContact O-N 3.09Å
66	V	89.4	Confident	83.2	Confident	33 Å²	33	63.5 Å²	63.5	20%	0.2	31%	0.311	C	S	.	.			trans	-117.8	8.2	-176.5	-61.9	0	0	0	0	114.5	T47 L49 I64 V75 F76	T47-V66 WeakPolarHBondContact O-CG2 3.35Å; T47-V66 PolarHBondContact O-N 2.87Å; L49-V66 HydrophobicContact CD1-CG1 3.74Å; L49-V66 HydrophobicContact CG-CG1 3.75Å; L49-V66 HydrophobicContact CG-CG2 4.31Å; I64-V66 HydrophobicContact CG2-CG1 4.16Å; V66-V75 CarbonylContact C-O 3.5Å; V66-V75 WeakPolarHBondContact CA-O 3.33Å; V66-F76 HydrophobicContact CG1-CD2 3.97Å; V66-F76 HydrophobicContact CG1-CE2 4.35Å
67	G	84.4	Confident	82.8	Confident	2 Å²	2	66.8 Å²	66.8	2%	0.021	33%	0.33	C	S	.	.			trans	76.9	179.2	-175.6	0	0	0	0	0	113.5	T47	T47-G67 WeakPolarHBondContact CA-O 3.41Å
68	H	80.6	Confident	82.4	Confident	100 Å²	100	68.3 Å²	68.3	46%	0.463	34%	0.34	S	S	.	.			trans	-82.1	140.9	173.4	-75.8	-91.3	0	0	0	111.1	T47 G70 E71	T47-H68 WeakPolarHBondContact CG2-CE1 3.36Å; H68-G70 PolarHBondContact O-N 3.1Å; H68-E71 HydrophobicContact CB-CG 4.23Å; H68-E71 IonicContact CD2-OE1 3.31Å; H68-E71 PolarHBondContact N-OE2 3.34Å; H68-E71 PolarHBondContact O-N 3.23Å
69	R	64.7	Low	81.5	Confident	211 Å²	211	68.5 Å²	68.5	80%	0.796	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	113.3	173.7	-72.6	-174.2	178.4	-179.2	-0.2	110.2
70	G	60.3	Low	80.2	Confident	75 Å²	75	73 Å²	73	77%	0.773	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.8	-7.2	176.4	0	0	0	0	0	115.1	H68	H68-G70 PolarHBondContact O-N 3.1Å
71	E	65	Low	78.9	Confident	96 Å²	96	78.4 Å²	78.4	45%	0.449	41%	0.406	S	S	.	.			trans	-70.9	143.5	168.1	-71.4	171.7	169.3	0	0	110.3	H68 E73	H68-E71 HydrophobicContact CB-CG 4.23Å; H68-E71 IonicContact CD2-OE1 3.31Å; H68-E71 PolarHBondContact N-OE2 3.34Å; H68-E71 PolarHBondContact O-N 3.23Å; E71-E73 PolarHBondContact O-N 3.19Å
72	Q	56.4	Low	78.1	Confident	208 Å²	208	83.3 Å²	83.3	97%	0.972	43%	0.432	S	S	*	.	S	Bend	trans	-66.6	-22.3	-176.8	-82.3	160	-25.1	0	0	113.1
73	E	64.1	Low	77.7	Confident	139 Å²	139	85.2 Å²	85.2	65%	0.65	44%	0.444	S	S	*	.	S	Bend	trans	-114.1	105.9	178.6	-163.3	179	174.6	0	0	110.9	K10 E71 V75	K10-E73 IonicContact NZ-OE1 3.8Å; E71-E73 PolarHBondContact O-N 3.19Å; E73-V75 PolarHBondContact O-N 3.11Å
74	H	67.6	Low	77.7	Confident	129 Å²	129	86.8 Å²	86.8	60%	0.597	45%	0.452	S	S	*	.			trans	-69.6	114.5	172.5	-74	-61.9	0	0	0	110	K10	K10-H74 VanDerWaalsContact CD-O 3.32Å; K10-H74 WeakPolarHBondContact CD-O 3.08Å; K10-H74 WeakPolarHBondContact CE-O 3.49Å; K10-H74 PolarHBondContact NZ-O 3.22Å
75	V	82.4	Confident	77.7	Confident	44 Å²	44	89.6 Å²	89.6	27%	0.267	47%	0.472	S	S	.	.			trans	-77.9	155.1	173.2	-173.3	0	0	0	0	109.3	Y65 V66 E73 T77	Y65-V75 HydrophobicContact CD1-CB 3.98Å; Y65-V75 HydrophobicContact CD1-CG1 3.75Å; Y65-V75 HydrophobicContact CE1-CB 4Å; Y65-V75 HydrophobicContact CE1-CG1 4.09Å; Y65-V75 HydrophobicContact CE1-CG2 4.16Å; V66-V75 CarbonylContact C-O 3.5Å; V66-V75 WeakPolarHBondContact CA-O 3.33Å; E73-V75 PolarHBondContact O-N 3.11Å; V75-T77 HydrophobicContact CG1-CG2 3.76Å; V75-T77 WeakPolarHBondContact CG1-OG1 3.25Å
76	F	86.6	Confident	77.8	Confident	60 Å²	60	86.1 Å²	86.1	26%	0.263	46%	0.459	S	S	.	.			trans	-148.9	83.5	171.1	-165.4	-109.3	0	0	0	108.4	K10 I12 L49 I64 Y65 V66	K10-F76 HydrophobicContact CB-CB 3.58Å; K10-F76 HydrophobicContact CB-CD1 4.1Å; K10-F76 HydrophobicContact CB-CG 4.12Å; K10-F76 HydrophobicContact CD-CB 3.85Å; K10-F76 HydrophobicContact CG-CB 4.29Å; I12-F76 HydrophobicContact CB-CD1 4.47Å; I12-F76 HydrophobicContact CB-CE1 4.09Å; I12-F76 HydrophobicContact CD1-CD1 3.5Å; I12-F76 HydrophobicContact CD1-CE1 3.46Å; I12-F76 VanDerWaalsContact CD1-CE1 3.46Å; I12-F76 HydrophobicContact CD1-CG 4.13Å; I12-F76 HydrophobicContact CD1-CZ 4.08Å; I12-F76 HydrophobicContact CG1-CD1 3.56Å; I12-F76 HydrophobicContact CG1-CE1 3.61Å; L49-F76 HydrophobicContact CD1-CE2 4.46Å; I64-F76 HydrophobicContact CD1-CE2 4.49Å; I64-F76 HydrophobicContact CD1-CZ 4.16Å; I64-F76 HydrophobicContact CG2-CD2 3.78Å; I64-F76 HydrophobicContact CG2-CE2 3.62Å; I64-F76 HydrophobicContact CG2-CG 4.36Å; I64-F76 HydrophobicContact CG2-CZ 4.07Å; Y65-F76 WeakPolarHBondContact O-CA 3.22Å; V66-F76 HydrophobicContact CG1-CD2 3.97Å; V66-F76 HydrophobicContact CG1-CE2 4.35Å
77	T	87.6	Confident	78	Confident	72 Å²	72	92 Å²	92	44%	0.442	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.1	-174	53.4	0	0	0	0	110.8	I64 Y65 V75	I64-T77 CarbonylContact C-O 3.59Å; Y65-T77 PolarHBondContact N-O 3.44Å; Y65-T77 PolarHBondContact O-N 2.73Å; Y65-T77 VanDerWaalsContact O-N 3.09Å; V75-T77 HydrophobicContact CG1-CG2 3.76Å; V75-T77 WeakPolarHBondContact CG1-OG1 3.25Å
78	T	86.8	Confident	78.3	Confident	38 Å²	38	92.2 Å²	92.2	23%	0.233	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.7	173.2	-174.8	0	0	0	0	109	I12 P80	I12-T78 HydrophobicContact CD1-CG2 4.15Å; I12-T78 HydrophobicContact CG1-CG2 4.5Å; I12-T78 HydrophobicContact CG2-CG2 3.43Å; I12-T78 VanDerWaalsContact CG2-CG2 3.43Å; T78-P80 WeakPolarHBondContact O-CD 3.28Å
79	N	77.3	Confident	79	Confident	81 Å²	81	88.2 Å²	88.2	43%	0.433	46%	0.461	S	S	.	.			trans	-92.6	107.8	167.6	-174.7	-11.9	0	0	0	108.8	V81 N82	N79-V81 PolarHBondContact O-N 3.2Å; N79-V81 VanDerWaalsContact O-N 3.08Å; N79-V81 WeakPolarHBondContact OD1-CB 3.48Å; N79-V81 PolarHBondContact OD1-N 3.32Å; N79-V81 VanDerWaalsContact OD1-N 3.08Å; N79-N82 PolarHBondContact O-N 3.17Å
80	P	68.7	Low	80.5	Confident	101 Å²	101	78.2 Å²	78.2	66%	0.656	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.6	-176.4	27	-34.1	0	0	0	113.9	T78	T78-P80 WeakPolarHBondContact O-CD 3.28Å
81	V	68.8	Low	82.2	Confident	120 Å²	120	74.6 Å²	74.6	73%	0.727	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-25.8	178.5	-174.7	0	0	0	0	112.1	N79 V83	N79-V81 PolarHBondContact O-N 3.2Å; N79-V81 VanDerWaalsContact O-N 3.08Å; N79-V81 WeakPolarHBondContact OD1-CB 3.48Å; N79-V81 PolarHBondContact OD1-N 3.32Å; N79-V81 VanDerWaalsContact OD1-N 3.08Å; V81-V83 PolarHBondContact O-N 3.46Å
82	N	77.4	Confident	83.7	Confident	104 Å²	104	70.6 Å²	70.6	56%	0.556	37%	0.367	S	S	*	.			trans	-99.1	55.3	-173.9	-68	-9.1	0	0	0	111.7	N79	N79-N82 PolarHBondContact O-N 3.17Å
83	V	87.3	Confident	85.5	Confident	42 Å²	42	61.2 Å²	61.2	26%	0.255	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-85.1	122.9	175	176.8	0	0	0	0	109.7	M60 C61 V81	M60-V83 HydrophobicContact CB-CG1 3.79Å; M60-V83 HydrophobicContact CE-CG1 3.83Å; M60-V83 HydrophobicContact CE-CG2 4.23Å; C61-V83 CarbonylContact O-C 3.52Å; C61-V83 WeakPolarHBondContact O-CA 3.34Å; V81-V83 PolarHBondContact O-N 3.46Å
84	E	91.9	Very high	86.9	Confident	81 Å²	81	55.4 Å²	55.4	38%	0.379	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	159.3	173.1	-66.1	-170.6	170.1	0	0	111.7	M60 C61 G86 K89	M60-E84 WeakPolarHBondContact CA-O 3Å; C61-E84 HydrophobicContact CB-CB 4.3Å; C61-E84 PolarHBondContact N-O 3.16Å; C61-E84 PolarHBondContact O-N 2.99Å; E84-G86 PolarHBondContact O-N 3.38Å; E84-K89 IonicContact OE2-NZ 3.54Å; E84-K89 PolarHBondContact OE2-NZ 3.49Å
85	S	92.6	Very high	88	Confident	72 Å²	72	53.5 Å²	53.5	50%	0.503	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	132.2	168.2	-169.5	0	0	0	0	110.7	R87	S85-R87 PolarHBondContact OG-N 3.47Å
86	G	93.5	Very high	88.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.298	C	S	.	.			trans	-93	3.4	172.5	0	0	0	0	0	114	P59 C61 E84 G88 K89 V90	P59-G86 WeakPolarHBondContact CB-O 3.48Å; P59-G86 WeakPolarHBondContact O-CA 3.42Å; P59-G86 PolarHBondContact O-N 3.26Å; C61-G86 WeakPolarHBondContact SG-CA 3.5Å; E84-G86 PolarHBondContact O-N 3.38Å; G86-G88 PolarHBondContact O-N 2.96Å; G86-K89 WeakPolarHBondContact O-CA 3.42Å; G86-K89 WeakPolarHBondContact O-CB 3.45Å; G86-K89 PolarHBondContact O-N 3.35Å; G86-V90 PolarHBondContact O-N 3.35Å; G86-V90 VanDerWaalsContact O-N 3.11Å
87	R	93.1	Very high	88.8	Confident	157 Å²	157	52.9 Å²	52.9	59%	0.592	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	129.1	179.1	-72.8	-178.9	175.2	162.9	-1.6	110.2	S85 K89	S85-R87 PolarHBondContact OG-N 3.47Å; R87-K89 PolarHBondContact O-N 3.37Å
88	G	91.4	Very high	89.1	Confident	6 Å²	6	51 Å²	51	6%	0.062	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-4.7	-174	0	0	0	0	0	115	G86 T109 L111 F123	G86-G88 PolarHBondContact O-N 2.96Å; G88-T109 PolarHBondContact O-OG1 3.45Å; G88-L111 WeakPolarHBondContact O-CD2 3.4Å; G88-F123 VanDerWaalsContact O-CD1 3.32Å; G88-F123 WeakPolarHBondContact O-CD1 3.16Å
89	K	95	Very high	89.6	Confident	17 Å²	17	49.8 Å²	49.8	7%	0.074	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-34.4	175	-57.6	179.7	179	172.5	0	111.9	C61 E84 G86 R87 F98 L107 M126	C61-K89 WeakPolarHBondContact SG-CD 3.4Å; E84-K89 IonicContact OE2-NZ 3.54Å; E84-K89 PolarHBondContact OE2-NZ 3.49Å; G86-K89 WeakPolarHBondContact O-CA 3.42Å; G86-K89 WeakPolarHBondContact O-CB 3.45Å; G86-K89 PolarHBondContact O-N 3.35Å; R87-K89 PolarHBondContact O-N 3.37Å; K89-F98 WeakPolarHBondContact O-CE2 3.38Å; K89-F98 VanDerWaalsContact O-CZ 3.31Å; K89-F98 WeakPolarHBondContact O-CZ 3.41Å; K89-L107 HydrophobicContact CB-CD2 3.84Å; K89-L107 HydrophobicContact CD-CD2 4.45Å; K89-L107 HydrophobicContact CG-CD2 3.95Å; K89-M126 HydrophobicContact CD-SD 4.46Å
90	V	96.6	Very high	90.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-144.7	156.2	175.5	-66.6	0	0	0	0	110.3	R39 L40 C52 P59 G86 F98	R39-V90 HydrophobicContact CB-CB 4.05Å; R39-V90 HydrophobicContact CB-CG1 3.82Å; L40-V90 HydrophobicContact CB-CG1 3.69Å; C52-V90 HydrophobicContact CB-CB 4.36Å; C52-V90 HydrophobicContact CB-CG1 3.46Å; C52-V90 VanDerWaalsContact CB-CG1 3.46Å; C52-V90 HydrophobicContact CB-CG2 3.93Å; P59-V90 HydrophobicContact CB-CG2 3.81Å; P59-V90 HydrophobicContact CG-CG2 4.46Å; G86-V90 PolarHBondContact O-N 3.35Å; G86-V90 VanDerWaalsContact O-N 3.11Å; V90-F98 HydrophobicContact CG1-CE1 4.46Å; V90-F98 HydrophobicContact CG1-CZ 4.19Å
91	P	96.4	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.			trans	-67.6	157.4	178.1	28.1	-36	0	0	0	112.2	F96 F98	P91-F96 HydrophobicContact CB-CB 4.06Å; P91-F98 HydrophobicContact CG-CB 4.1Å
92	H	95.3	Very high	93	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.056	21%	0.21	C	C	.	.	S	Bend	trans	-70.9	-47	171.6	-74.2	-100.5	0	0	0	111.6	T54 F57 P59 A113	T54-H92 WeakPolarHBondContact CB-O 3.5Å; F57-H92 WeakPolarHBondContact CA-O 3.17Å; F57-H92 HydrophobicContact CD1-CB 4.45Å; F57-H92 PolarHBondContact O-ND1 3.33Å; P59-H92 WeakPolarHBondContact CD-CE1 2.97Å; P59-H92 WeakPolarHBondContact CD-ND1 3.42Å; P59-H92 HydrophobicContact CG-CB 4.37Å; H92-A113 PolarHBondContact CD2-O 3.13Å; H92-A113 VanDerWaalsContact CD2-O 3.23Å; H92-A113 PolarHBondContact NE2-O 2.01Å
93	D	94.2	Very high	93.7	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.059	19%	0.191	C	C	.	.	S	Bend	trans	-87.2	129	-179.4	-164.9	-55.3	0	0	0	110.5	K29 F57 S95 F96	K29-D93 IonicContact NZ-OD2 2.78Å; K29-D93 PolarHBondContact NZ-OD2 2.84Å; F57-D93 HydrophobicContact CD1-CB 4.33Å; F57-D93 HydrophobicContact CE1-CB 3.71Å; F57-D93 VanDerWaalsContact CE1-OD2 3.3Å; F57-D93 WeakPolarHBondContact CE1-OD2 3.38Å; D93-S95 PolarHBondContact O-N 3.27Å; D93-S95 VanDerWaalsContact OD1-CB 3.28Å; D93-S95 WeakPolarHBondContact OD1-CB 3.26Å; D93-S95 PolarHBondContact OD1-N 3.01Å; D93-S95 PolarHBondContact OD1-OG 3.12Å; D93-F96 HydrophobicContact CB-CB 4.44Å; D93-F96 HydrophobicContact CB-CD1 4.24Å; D93-F96 HydrophobicContact CB-CD2 3.71Å; D93-F96 HydrophobicContact CB-CE1 4.45Å; D93-F96 HydrophobicContact CB-CE2 3.91Å; D93-F96 HydrophobicContact CB-CG 3.87Å; D93-F96 HydrophobicContact CB-CZ 4.3Å; D93-F96 PolarHBondContact O-N 2.89Å
94	P	93.5	Very high	93.7	Very high	17 Å²	17	37.3 Å²	37.3	11%	0.11	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.9	179.4	27.9	-35.6	0	0	0	113.9	F37 R39 T54 F96	F37-P94 HydrophobicContact CB-CB 3.9Å; F37-P94 HydrophobicContact CD1-CB 4.15Å; F37-P94 HydrophobicContact CD2-CB 3.63Å; F37-P94 HydrophobicContact CD2-CG 3.83Å; F37-P94 HydrophobicContact CE2-CB 4.15Å; F37-P94 HydrophobicContact CE2-CG 3.94Å; F37-P94 HydrophobicContact CG-CB 3.62Å; F37-P94 HydrophobicContact CG-CG 4.31Å; R39-P94 PolarHBondContact NH1-O 2.98Å; R39-P94 VanDerWaalsContact NH1-O 3.11Å; R39-P94 PolarHBondContact NH2-O 3.1Å; R39-P94 VanDerWaalsContact NH2-O 3.15Å; T54-P94 HydrophobicContact CG2-CB 4.07Å; P94-F96 VanDerWaalsContact C-N 3.33Å
95	S	92.1	Very high	93.5	Very high	89 Å²	89	35 Å²	35	62%	0.622	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.8	177.8	72.1	0	0	0	0	112.9	D93	D93-S95 PolarHBondContact O-N 3.27Å; D93-S95 VanDerWaalsContact OD1-CB 3.28Å; D93-S95 WeakPolarHBondContact OD1-CB 3.26Å; D93-S95 PolarHBondContact OD1-N 3.01Å; D93-S95 PolarHBondContact OD1-OG 3.12Å
96	F	93.3	Very high	93.6	Very high	52 Å²	52	32 Å²	32	23%	0.228	19%	0.194	C	C	.	.	S	Bend	trans	-72.8	138.9	-175.3	-75.4	-8.8	0	0	0	112.9	R39 P91 D93 P94 T112 G117	R39-F96 PolarHBondContact NH2-O 3.41Å; P91-F96 HydrophobicContact CB-CB 4.06Å; D93-F96 HydrophobicContact CB-CB 4.44Å; D93-F96 HydrophobicContact CB-CD1 4.24Å; D93-F96 HydrophobicContact CB-CD2 3.71Å; D93-F96 HydrophobicContact CB-CE1 4.45Å; D93-F96 HydrophobicContact CB-CE2 3.91Å; D93-F96 HydrophobicContact CB-CG 3.87Å; D93-F96 HydrophobicContact CB-CZ 4.3Å; D93-F96 PolarHBondContact O-N 2.89Å; P94-F96 VanDerWaalsContact C-N 3.33Å; F96-T112 HydrophobicContact CD2-CG2 4.34Å; F96-T112 HydrophobicContact CE2-CG2 4.24Å; F96-G117 VanDerWaalsContact CE2-CA 3.45Å
97	P	92.3	Very high	93.7	Very high	39 Å²	39	32 Å²	32	25%	0.253	19%	0.194	S	C	.	.			trans	-64.3	146.7	176	30.5	-36.8	0	0	0	110.2	R145	P97-R145 HydrophobicContact CB-CG 3.8Å; P97-R145 HydrophobicContact CG-CB 4.31Å; P97-R145 HydrophobicContact CG-CG 3.88Å
98	F	94.5	Very high	93.9	Very high	32 Å²	32	24.5 Å²	24.5	14%	0.14	17%	0.166	C	C	.	.			trans	-154	144.1	-175	162.6	-109.4	0	0	0	109.2	R39 L40 K89 V90 P91 S100 T109 G110 L111	R39-F98 WeakPolarHBondContact O-CE1 2.98Å; L40-F98 HydrophobicContact CB-CE1 4.41Å; L40-F98 HydrophobicContact CD1-CE1 4.18Å; L40-F98 HydrophobicContact CD1-CZ 4.1Å; K89-F98 WeakPolarHBondContact O-CE2 3.38Å; K89-F98 VanDerWaalsContact O-CZ 3.31Å; K89-F98 WeakPolarHBondContact O-CZ 3.41Å; V90-F98 HydrophobicContact CG1-CE1 4.46Å; V90-F98 HydrophobicContact CG1-CZ 4.19Å; P91-F98 HydrophobicContact CG-CB 4.1Å; F98-S100 WeakPolarHBondContact CZ-OG 3.16Å; F98-T109 HydrophobicContact CE2-CG2 3.8Å; F98-T109 HydrophobicContact CZ-CG2 4.26Å; F98-G110 WeakPolarHBondContact CA-O 3.47Å; F98-L111 HydrophobicContact CD2-CB 3.98Å
99	T	97.1	Very high	94.2	Very high	13 Å²	13	24.2 Å²	24.2	8%	0.08	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	156.4	167.2	-161	0	0	0	0	111.1	T109 G110 F146 I147 A148 A149 F165	T99-T109 WeakPolarHBondContact O-CA 3Å; T99-G110 PolarHBondContact N-O 3.33Å; T99-G110 PolarHBondContact O-N 2.84Å; T99-F146 HydrophobicContact CG2-CB 3.92Å; T99-I147 PolarHBondContact OG1-O 2.95Å; T99-A148 WeakPolarHBondContact OG1-CA 3.29Å; T99-A148 PolarHBondContact OG1-N 3.37Å; T99-A149 HydrophobicContact CG2-CB 3.79Å; T99-A149 PolarHBondContact OG1-N 2.95Å; T99-F165 HydrophobicContact CG2-CD1 4.22Å
100	S	96.7	Very high	94.3	Very high	17 Å²	17	23.4 Å²	23.4	12%	0.119	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	154.8	179.7	57.3	0	0	0	0	114.1	L40 Q42 F98 Y108	L40-S100 WeakPolarHBondContact CD1-OG 3.42Å; Q42-S100 PolarHBondContact NE2-O 2.84Å; Q42-S100 PolarHBondContact NE2-OG 2.89Å; F98-S100 WeakPolarHBondContact CZ-OG 3.16Å; S100-Y108 CarbonylContact C-O 3.56Å; S100-Y108 WeakPolarHBondContact CA-O 3.31Å
101	T	95.8	Very high	94.3	Very high	21 Å²	21	23.4 Å²	23.4	13%	0.129	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	156.1	170.6	-161.8	0	0	0	0	111.2	Y108 A149 V151 V163	T101-Y108 PolarHBondContact N-O 2.94Å; T101-Y108 PolarHBondContact O-N 3.26Å; T101-A149 WeakPolarHBondContact CB-O 3.21Å; T101-A149 HydrophobicContact CG2-CB 4.04Å; T101-V151 HydrophobicContact CG2-CG2 3.97Å; T101-V163 HydrophobicContact CG2-CG1 3.55Å
102	F	92.7	Very high	94.2	Very high	45 Å²	45	23.9 Å²	23.9	20%	0.197	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.6	177.8	-96.5	-77.7	0	0	0	111.2	Q42 Y44 L50 E106 L107 M126	Q42-F102 HydrophobicContact CB-CD2 3.8Å; Q42-F102 HydrophobicContact CB-CE2 3.79Å; Q42-F102 HydrophobicContact CG-CD2 4.44Å; Q42-F102 VanDerWaalsContact OE1-CE2 3.27Å; Y44-F102 HydrophobicContact CD2-CE1 4.4Å; L50-F102 HydrophobicContact CB-CZ 4.48Å; L50-F102 HydrophobicContact CD2-CE2 4.05Å; L50-F102 HydrophobicContact CD2-CZ 3.56Å; F102-E106 WeakPolarHBondContact CA-O 3.27Å; F102-E106 VanDerWaalsContact CD1-O 3.26Å; F102-E106 WeakPolarHBondContact CD1-O 3.47Å; F102-L107 HydrophobicContact CD1-CB 4.41Å; F102-L107 HydrophobicContact CD2-CD1 3.97Å; F102-L107 HydrophobicContact CE1-CB 3.81Å; F102-L107 HydrophobicContact CE1-CD1 4.42Å; F102-L107 HydrophobicContact CE2-CB 4.44Å; F102-L107 HydrophobicContact CE2-CD1 3.59Å; F102-L107 HydrophobicContact CE2-CG 4.47Å; F102-L107 HydrophobicContact CG-CD1 4.49Å; F102-L107 HydrophobicContact CZ-CB 3.8Å; F102-L107 HydrophobicContact CZ-CD1 3.83Å; F102-L107 HydrophobicContact CZ-CG 4.25Å; F102-M126 HydrophobicContact CE1-SD 4.28Å; F102-M126 HydrophobicContact CZ-SD 4.1Å
103	S	91.9	Very high	94	Very high	21 Å²	21	24.1 Å²	24.1	15%	0.147	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	130.6	165.7	-167.4	0	0	0	0	110.1	G105 E106	S103-G105 PolarHBondContact O-N 3.19Å; S103-G105 VanDerWaalsContact O-N 3.1Å; S103-E106 PolarHBondContact N-O 2.8Å; S103-E106 WeakPolarHBondContact O-CB 3.48Å; S103-E106 PolarHBondContact O-N 2.78Å
104	G	86.8	Confident	93.8	Very high	82 Å²	82	25.3 Å²	25.3	85%	0.845	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	25.1	173.7	0	0	0	0	0	116	E106	G104-E106 VanDerWaalsContact C-N 3.28Å
105	G	89	Confident	93.5	Very high	32 Å²	32	28.4 Å²	28.4	33%	0.33	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	3.8	-174.7	0	0	0	0	0	114.7	S103	S103-G105 PolarHBondContact O-N 3.19Å; S103-G105 VanDerWaalsContact O-N 3.1Å
106	E	93.8	Very high	93.3	Very high	8 Å²	8	30 Å²	30	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139	174.8	-56	178.2	134.2	0	0	109.6	F102 S103 G104 Y108 R124 R129	F102-E106 WeakPolarHBondContact CA-O 3.27Å; F102-E106 VanDerWaalsContact CD1-O 3.26Å; F102-E106 WeakPolarHBondContact CD1-O 3.47Å; S103-E106 PolarHBondContact N-O 2.8Å; S103-E106 WeakPolarHBondContact O-CB 3.48Å; S103-E106 PolarHBondContact O-N 2.78Å; G104-E106 VanDerWaalsContact C-N 3.28Å; E106-Y108 HydrophobicContact CB-CE2 3.91Å; E106-Y108 PolarHBondContact OE2-OH 3.38Å; E106-R124 HydrophobicContact CB-CG 4.05Å; E106-R124 IonicContact OE1-CZ 2.7Å; E106-R124 IonicContact OE1-NE 2.82Å; E106-R124 WeakPolarHBondContact OE2-CD 3.48Å; E106-R124 IonicContact OE2-NE 2.79Å; E106-R129 VanDerWaalsContact OE1-CD 3.22Å; E106-R129 WeakPolarHBondContact OE1-CD 3.4Å; E106-R129 WeakPolarHBondContact OE1-CG 3.39Å; E106-R129 IonicContact OE1-CZ 3.61Å; E106-R129 IonicContact OE1-NE 2.91Å; E106-R129 IonicContact OE1-NH1 3.59Å; E106-R129 IonicContact OE2-NH1 2.69Å; E106-R129 PolarHBondContact OE2-NH1 2.89Å
107	L	95.6	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.8	178.8	176.7	66.7	0	0	0	109.4	L40 L50 K89 F102 T109 R124 S125 M126	L40-L107 HydrophobicContact CD2-CD1 4.21Å; L40-L107 HydrophobicContact CD2-CD2 3.76Å; L50-L107 HydrophobicContact CD2-CD2 4.32Å; K89-L107 HydrophobicContact CB-CD2 3.84Å; K89-L107 HydrophobicContact CD-CD2 4.45Å; K89-L107 HydrophobicContact CG-CD2 3.95Å; F102-L107 HydrophobicContact CD1-CB 4.41Å; F102-L107 HydrophobicContact CD2-CD1 3.97Å; F102-L107 HydrophobicContact CE1-CB 3.81Å; F102-L107 HydrophobicContact CE1-CD1 4.42Å; F102-L107 HydrophobicContact CE2-CB 4.44Å; F102-L107 HydrophobicContact CE2-CD1 3.59Å; F102-L107 HydrophobicContact CE2-CG 4.47Å; F102-L107 HydrophobicContact CG-CD1 4.49Å; F102-L107 HydrophobicContact CZ-CB 3.8Å; F102-L107 HydrophobicContact CZ-CD1 3.83Å; F102-L107 HydrophobicContact CZ-CG 4.25Å; L107-T109 HydrophobicContact CD1-CG2 4.08Å; L107-T109 HydrophobicContact CD2-CG2 3.82Å; L107-T109 HydrophobicContact CG-CG2 3.65Å; L107-R124 WeakPolarHBondContact O-CA 3.47Å; L107-S125 PolarHBondContact N-O 2.91Å; L107-S125 PolarHBondContact O-N 3.28Å; L107-M126 HydrophobicContact CB-CG 4.28Å; L107-M126 HydrophobicContact CB-SD 3.99Å; L107-M126 HydrophobicContact CD2-SD 4.37Å
108	Y	97.5	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.5	175.1	-66.9	-102.4	0	0	0	108.6	S100 T101 E106 F123 R124 V163 V188 V190 W203	S100-Y108 CarbonylContact C-O 3.56Å; S100-Y108 WeakPolarHBondContact CA-O 3.31Å; T101-Y108 PolarHBondContact N-O 2.94Å; T101-Y108 PolarHBondContact O-N 3.26Å; E106-Y108 HydrophobicContact CB-CE2 3.91Å; E106-Y108 PolarHBondContact OE2-OH 3.38Å; Y108-F123 CarbonylContact C-O 3.58Å; Y108-F123 WeakPolarHBondContact CA-O 3.46Å; Y108-R124 HydrophobicContact CD1-CB 4.22Å; Y108-R124 HydrophobicContact CD1-CG 4.33Å; Y108-R124 HydrophobicContact CE1-CB 4.17Å; Y108-R124 HydrophobicContact CE1-CG 4.02Å; Y108-R124 HydrophobicContact CE2-CG 4.23Å; Y108-R124 VanDerWaalsContact CZ-CD 3.45Å; Y108-R124 VanDerWaalsContact OH-CD 3.23Å; Y108-R124 WeakPolarHBondContact OH-CD 3.48Å; Y108-V163 HydrophobicContact CD1-CB 4.2Å; Y108-V163 HydrophobicContact CD1-CG1 4.34Å; Y108-V163 HydrophobicContact CD1-CG2 3.7Å; Y108-V163 HydrophobicContact CD2-CG2 4.2Å; Y108-V163 HydrophobicContact CE1-CG2 3.77Å; Y108-V163 HydrophobicContact CE2-CG2 4.31Å; Y108-V163 HydrophobicContact CG-CG1 4.32Å; Y108-V163 HydrophobicContact CG-CG2 3.93Å; Y108-V188 HydrophobicContact CD1-CG2 4.49Å; Y108-V188 HydrophobicContact CE1-CG2 4.44Å; Y108-V190 PolarHBondContact OH-O 2.99Å; Y108-V190 VanDerWaalsContact OH-O 3.12Å; Y108-W203 HydrophobicContact CD1-CH2 4.09Å; Y108-W203 HydrophobicContact CD1-CZ2 4.45Å; Y108-W203 AromaticContact CE1-CH2 3.69Å; Y108-W203 HydrophobicContact CE1-CH2 3.69Å; Y108-W203 HydrophobicContact CE1-CZ2 4.47Å; Y108-W203 HydrophobicContact CE1-CZ3 4.44Å
109	T	97.8	Very high	92.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.7	-175.7	58	0	0	0	0	111.7	G88 F98 T99 L107 L111 I122 F123	G88-T109 PolarHBondContact O-OG1 3.45Å; F98-T109 HydrophobicContact CE2-CG2 3.8Å; F98-T109 HydrophobicContact CZ-CG2 4.26Å; T99-T109 WeakPolarHBondContact O-CA 3Å; L107-T109 HydrophobicContact CD1-CG2 4.08Å; L107-T109 HydrophobicContact CD2-CG2 3.82Å; L107-T109 HydrophobicContact CG-CG2 3.65Å; T109-L111 VanDerWaalsContact CB-CD2 3.45Å; T109-L111 HydrophobicContact CG2-CD2 4.43Å; T109-L111 WeakPolarHBondContact OG1-CD2 3.19Å; T109-I122 CarbonylContact O-C 3.49Å; T109-I122 WeakPolarHBondContact O-CA 3.19Å; T109-F123 PolarHBondContact N-O 3.47Å; T109-F123 PolarHBondContact O-N 3.13Å; T109-F123 WeakPolarHBondContact OG1-CB 3.43Å
110	G	97.8	Very high	92.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.9	164.3	0	0	0	0	0	107.9	F98 T99	F98-G110 WeakPolarHBondContact CA-O 3.47Å; T99-G110 PolarHBondContact N-O 3.33Å; T99-G110 PolarHBondContact O-N 2.84Å
111	L	96.7	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	174.7	-176.4	69.8	135.8	0	0	0	112.6	G88 F98 T109 A113 S120 V121	G88-L111 WeakPolarHBondContact O-CD2 3.4Å; F98-L111 HydrophobicContact CD2-CB 3.98Å; T109-L111 VanDerWaalsContact CB-CD2 3.45Å; T109-L111 HydrophobicContact CG2-CD2 4.43Å; T109-L111 WeakPolarHBondContact OG1-CD2 3.19Å; L111-A113 HydrophobicContact CD1-CB 3.98Å; L111-A113 HydrophobicContact CG-CB 4.47Å; L111-S120 WeakPolarHBondContact O-CA 3.36Å; L111-V121 HydrophobicContact CG-CG1 4.4Å; L111-V121 PolarHBondContact N-O 3.32Å; L111-V121 VanDerWaalsContact N-O 3.09Å; L111-V121 PolarHBondContact O-N 2.9Å
112	T	94.6	Very high	92.4	Very high	10 Å²	10	35 Å²	35	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	111.2	161.9	-55.2	0	0	0	0	109.3	F96 D114 G117 D119 S120	F96-T112 HydrophobicContact CD2-CG2 4.34Å; F96-T112 HydrophobicContact CE2-CG2 4.24Å; T112-D114 WeakPolarHBondContact CG2-OD1 3.39Å; T112-G117 VanDerWaalsContact CG2-C 3.42Å; T112-G117 VanDerWaalsContact CG2-CA 3.45Å; T112-D119 CarbonylContact C-O 3.56Å; T112-D119 WeakPolarHBondContact CA-O 3.33Å; T112-S120 PolarHBondContact OG1-OG 2.67Å
113	A	90.6	Very high	92.6	Very high	18 Å²	18	34.2 Å²	34.2	15%	0.149	20%	0.201	C	C	.	.			trans	-87.9	-13.9	-163.7	0	0	0	0	0	115.1	H92 L111 D119 V121	H92-A113 PolarHBondContact CD2-O 3.13Å; H92-A113 VanDerWaalsContact CD2-O 3.23Å; H92-A113 PolarHBondContact NE2-O 2.01Å; L111-A113 HydrophobicContact CD1-CB 3.98Å; L111-A113 HydrophobicContact CG-CB 4.47Å; A113-D119 PolarHBondContact N-O 2.89Å; A113-V121 HydrophobicContact CB-CG1 3.56Å
114	D	89.5	Confident	92.8	Very high	36 Å²	36	33.3 Å²	33.3	19%	0.193	19%	0.194	C	C	.	.	S	Bend	trans	-99	162.6	178.7	71.5	-34.7	0	0	0	112.5	T112 L116 G117 R118 D119	T112-D114 WeakPolarHBondContact CG2-OD1 3.39Å; D114-L116 VanDerWaalsContact C-N 3.31Å; D114-G117 WeakPolarHBondContact OD1-CA 3.19Å; D114-G117 PolarHBondContact OD1-N 2.94Å; D114-G117 PolarHBondContact OD2-N 2.79Å; D114-R118 VanDerWaalsContact CG-N 3.33Å; D114-R118 PolarHBondContact OD1-N 2.94Å; D114-R118 PolarHBondContact OD2-N 3.03Å; D114-R118 VanDerWaalsContact OD2-N 3.09Å; D114-D119 HydrophobicContact CB-CB 3.86Å; D114-D119 VanDerWaalsContact CG-N 3.33Å; D114-D119 PolarHBondContact OD1-N 3.05Å
115	F	87.1	Confident	93.1	Very high	82 Å²	82	29.7 Å²	29.7	36%	0.36	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-30.2	176.9	177.6	-94	0	0	0	112.7	F57	F57-F115 HydrophobicContact CB-CD2 3.85Å; F57-F115 HydrophobicContact CB-CE2 3.55Å; F57-F115 HydrophobicContact CD1-CD2 4.02Å; F57-F115 AromaticContact CD1-CE2 3.67Å; F57-F115 HydrophobicContact CD1-CE2 3.67Å; F57-F115 HydrophobicContact CG-CD2 4.35Å; F57-F115 AromaticContact CG-CE2 3.83Å; F57-F115 HydrophobicContact CG-CE2 3.83Å
116	L	87.4	Confident	93.1	Very high	121 Å²	121	29.7 Å²	29.7	63%	0.634	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-8.1	-175.5	-62.4	176.2	0	0	0	113.8	D114 R118	D114-L116 VanDerWaalsContact C-N 3.31Å; L116-R118 HydrophobicContact CB-CG 4.33Å
117	G	84.9	Confident	92.7	Very high	25 Å²	25	31.7 Å²	31.7	26%	0.258	17%	0.171	S	C	.	.	S	Bend	trans	79.1	27.8	178.4	0	0	0	0	0	114.9	F96 T112 D114	F96-G117 VanDerWaalsContact CE2-CA 3.45Å; T112-G117 VanDerWaalsContact CG2-C 3.42Å; T112-G117 VanDerWaalsContact CG2-CA 3.45Å; D114-G117 WeakPolarHBondContact OD1-CA 3.19Å; D114-G117 PolarHBondContact OD1-N 2.94Å; D114-G117 PolarHBondContact OD2-N 2.79Å
118	R	87.4	Confident	92	Very high	200 Å²	200	36 Å²	36	76%	0.755	22%	0.215	S	C	*	.			trans	-113.6	-21	-175.3	-59.3	-178.5	179.8	-176.4	-1.2	114.2	D114 L116 S120	D114-R118 VanDerWaalsContact CG-N 3.33Å; D114-R118 PolarHBondContact OD1-N 2.94Å; D114-R118 PolarHBondContact OD2-N 3.03Å; D114-R118 VanDerWaalsContact OD2-N 3.09Å; L116-R118 HydrophobicContact CB-CG 4.33Å; R118-S120 PolarHBondContact O-N 3.05Å
119	D	91	Very high	91.6	Very high	33 Å²	33	41.7 Å²	41.7	18%	0.176	24%	0.237	C	C	.	.			trans	-99.2	72.6	-175.6	-170.7	26.7	0	0	0	111.2	T112 A113 D114 R133	T112-D119 CarbonylContact C-O 3.56Å; T112-D119 WeakPolarHBondContact CA-O 3.33Å; A113-D119 PolarHBondContact N-O 2.89Å; D114-D119 HydrophobicContact CB-CB 3.86Å; D114-D119 VanDerWaalsContact CG-N 3.33Å; D114-D119 PolarHBondContact OD1-N 3.05Å; D119-R133 IonicContact OD1-NH2 2.98Å; D119-R133 PolarHBondContact OD1-NH2 3.07Å; D119-R133 IonicContact OD2-CZ 2.73Å; D119-R133 IonicContact OD2-NH1 3.12Å; D119-R133 IonicContact OD2-NH2 2.89Å; D119-R133 PolarHBondContact OD2-NH2 2.89Å
120	S	94.4	Very high	91.2	Very high	21 Å²	21	45.4 Å²	45.4	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.6	172.8	-57.9	0	0	0	0	111.2	L111 T112 R118 P144	L111-S120 WeakPolarHBondContact O-CA 3.36Å; T112-S120 PolarHBondContact OG1-OG 2.67Å; R118-S120 PolarHBondContact O-N 3.05Å; S120-P144 VanDerWaalsContact CB-CD 3.44Å; S120-P144 VanDerWaalsContact CB-CG 3.44Å
121	V	96.3	Very high	91	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	141.6	-166.7	65.9	0	0	0	0	111.7	L111 A113 F123 R133 T134	L111-V121 HydrophobicContact CG-CG1 4.4Å; L111-V121 PolarHBondContact N-O 3.32Å; L111-V121 VanDerWaalsContact N-O 3.09Å; L111-V121 PolarHBondContact O-N 2.9Å; A113-V121 HydrophobicContact CB-CG1 3.56Å; V121-F123 HydrophobicContact CG1-CB 4.4Å; V121-F123 HydrophobicContact CG2-CB 4.42Å; V121-F123 HydrophobicContact CG2-CD2 4.22Å; V121-R133 HydrophobicContact CG2-CB 3.73Å; V121-T134 WeakPolarHBondContact CA-OG1 3.37Å; V121-T134 WeakPolarHBondContact CG2-OG1 3.47Å
122	I	97.9	Very high	90.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.1	159.3	-65.3	168.9	0	0	0	107.1	T109 R133 T134 L141 F146 F165 W203 F206	T109-I122 CarbonylContact O-C 3.49Å; T109-I122 WeakPolarHBondContact O-CA 3.19Å; I122-R133 WeakPolarHBondContact O-CA 3.3Å; I122-T134 HydrophobicContact CB-CG2 3.92Å; I122-T134 PolarHBondContact N-OG1 3.48Å; I122-T134 PolarHBondContact O-N 2.87Å; I122-T134 VanDerWaalsContact O-N 3.12Å; I122-L141 HydrophobicContact CD1-CD2 4.31Å; I122-L141 HydrophobicContact CG1-CD1 4.23Å; I122-F146 HydrophobicContact CD1-CE1 4.22Å; I122-F146 HydrophobicContact CG1-CE1 3.72Å; I122-F146 HydrophobicContact CG1-CZ 4.01Å; I122-F165 HydrophobicContact CD1-CB 4.37Å; I122-F165 HydrophobicContact CD1-CD2 4.17Å; I122-F165 HydrophobicContact CD1-CG 4.13Å; I122-F165 HydrophobicContact CG1-CD1 4.44Å; I122-F165 HydrophobicContact CG1-CG 4.48Å; I122-F165 HydrophobicContact CG2-CD1 4.42Å; I122-F165 HydrophobicContact CG2-CD2 4.11Å; I122-F165 HydrophobicContact CG2-CE1 3.88Å; I122-F165 HydrophobicContact CG2-CE2 3.52Å; I122-F165 HydrophobicContact CG2-CZ 3.39Å; I122-W203 PolarHBondContact O-NE1 3.26Å; I122-F206 HydrophobicContact CD1-CD2 4.1Å; I122-F206 HydrophobicContact CD1-CE2 3.36Å; I122-F206 HydrophobicContact CD1-CZ 3.86Å
123	F	95.5	Very high	90.9	Very high	29 Å²	29	51.7 Å²	51.7	13%	0.127	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.8	-167.3	-160.2	-106.6	0	0	0	110.8	G88 Y108 T109 V121 T131 M132 R133	G88-F123 VanDerWaalsContact O-CD1 3.32Å; G88-F123 WeakPolarHBondContact O-CD1 3.16Å; Y108-F123 CarbonylContact C-O 3.58Å; Y108-F123 WeakPolarHBondContact CA-O 3.46Å; T109-F123 PolarHBondContact N-O 3.47Å; T109-F123 PolarHBondContact O-N 3.13Å; T109-F123 WeakPolarHBondContact OG1-CB 3.43Å; V121-F123 HydrophobicContact CG1-CB 4.4Å; V121-F123 HydrophobicContact CG2-CB 4.42Å; V121-F123 HydrophobicContact CG2-CD2 4.22Å; F123-T131 HydrophobicContact CZ-CG2 4.38Å; F123-M132 CarbonylContact C-O 3.51Å; F123-M132 WeakPolarHBondContact CA-O 3.01Å; F123-R133 HydrophobicContact CD2-CB 3.54Å; F123-R133 HydrophobicContact CE2-CB 3.87Å
124	R	96.4	Very high	91.2	Very high	2 Å²	2	51 Å²	51	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.6	163.4	-179.2	-174.5	75.3	-159.9	-2.1	109.1	E106 L107 Y108 T131 M132 V190 D192 W203	E106-R124 HydrophobicContact CB-CG 4.05Å; E106-R124 IonicContact OE1-CZ 2.7Å; E106-R124 IonicContact OE1-NE 2.82Å; E106-R124 WeakPolarHBondContact OE2-CD 3.48Å; E106-R124 IonicContact OE2-NE 2.79Å; L107-R124 WeakPolarHBondContact O-CA 3.47Å; Y108-R124 HydrophobicContact CD1-CB 4.22Å; Y108-R124 HydrophobicContact CD1-CG 4.33Å; Y108-R124 HydrophobicContact CE1-CB 4.17Å; Y108-R124 HydrophobicContact CE1-CG 4.02Å; Y108-R124 HydrophobicContact CE2-CG 4.23Å; Y108-R124 VanDerWaalsContact CZ-CD 3.45Å; Y108-R124 VanDerWaalsContact OH-CD 3.23Å; Y108-R124 WeakPolarHBondContact OH-CD 3.48Å; R124-T131 WeakPolarHBondContact O-CA 3.43Å; R124-M132 HydrophobicContact CB-CB 4.14Å; R124-M132 PolarHBondContact N-O 2.99Å; R124-M132 PolarHBondContact O-N 3.44Å; R124-M132 VanDerWaalsContact O-N 3.1Å; R124-V190 PolarHBondContact NH1-O 2.95Å; R124-D192 VanDerWaalsContact CZ-O 3.31Å; R124-D192 PolarHBondContact NH1-O 3.16Å; R124-D192 PolarHBondContact NH2-O 2.94Å; R124-W203 HydrophobicContact CB-CH2 3.48Å; R124-W203 VanDerWaalsContact CB-CH2 3.48Å; R124-W203 HydrophobicContact CB-CZ2 3.54Å; R124-W203 HydrophobicContact CG-CH2 4.34Å
125	S	93.4	Very high	91.3	Very high	7 Å²	7	51 Å²	51	5%	0.049	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	174.2	179.9	70.3	0	0	0	0	111	L107	L107-S125 PolarHBondContact N-O 2.91Å; L107-S125 PolarHBondContact O-N 3.28Å
126	M	89.3	Confident	91.4	Very high	32 Å²	32	52.4 Å²	52.4	16%	0.158	30%	0.299	C	S	.	.	S	Bend	trans	64.2	177.1	-177.1	-50	-174.9	65.9	0	0	112.8	Y44 L50 F63 K89 F102 L107	Y44-M126 HydrophobicContact CD2-CE 4.15Å; Y44-M126 HydrophobicContact CE2-CE 3.71Å; L50-M126 HydrophobicContact CD1-CE 4.42Å; L50-M126 HydrophobicContact CD2-CE 4.07Å; L50-M126 HydrophobicContact CD2-SD 3.52Å; L50-M126 VanDerWaalsContact CD2-SD 3.52Å; F63-M126 HydrophobicContact CE1-CE 4.18Å; F63-M126 HydrophobicContact CZ-CE 3.89Å; K89-M126 HydrophobicContact CD-SD 4.46Å; F102-M126 HydrophobicContact CE1-SD 4.28Å; F102-M126 HydrophobicContact CZ-SD 4.1Å; L107-M126 HydrophobicContact CB-CG 4.28Å; L107-M126 HydrophobicContact CB-SD 3.99Å; L107-M126 HydrophobicContact CD2-SD 4.37Å
127	G	84.8	Confident	91.4	Very high	50 Å²	50	49.3 Å²	49.3	52%	0.515	28%	0.283	S	S	.	.	S	Bend	trans	77.7	-172.7	-173.3	0	0	0	0	0	113.5
128	G	82.3	Confident	91.5	Very high	90 Å²	90	54.6 Å²	54.6	93%	0.928	30%	0.301	S	S	*	.	S	Bend	trans	-91.5	-4.1	-179.6	0	0	0	0	0	114.7
129	R	88.6	Confident	91.5	Very high	120 Å²	120	51 Å²	51	45%	0.453	29%	0.291	S	S	.	.	S	Bend	trans	-90.8	163.4	-177.8	-57.5	-173	-167.3	157.4	-4.9	111.2	E106 V190	E106-R129 VanDerWaalsContact OE1-CD 3.22Å; E106-R129 WeakPolarHBondContact OE1-CD 3.4Å; E106-R129 WeakPolarHBondContact OE1-CG 3.39Å; E106-R129 IonicContact OE1-CZ 3.61Å; E106-R129 IonicContact OE1-NE 2.91Å; E106-R129 IonicContact OE1-NH1 3.59Å; E106-R129 IonicContact OE2-NH1 2.69Å; E106-R129 PolarHBondContact OE2-NH1 2.89Å; R129-V190 PolarHBondContact NH1-O 3.43Å
130	T	89.3	Confident	91.5	Very high	77 Å²	77	50.1 Å²	50.1	47%	0.472	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-63.4	146	171.6	52.1	0	0	0	0	110.8	N201	T130-N201 PolarHBondContact OG1-OD1 3.47Å
131	T	93.3	Very high	91.5	Very high	79 Å²	79	49.8 Å²	49.8	49%	0.485	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-65.2	139.8	176.4	53.8	0	0	0	0	110.1	F123 R124	F123-T131 HydrophobicContact CZ-CG2 4.38Å; R124-T131 WeakPolarHBondContact O-CA 3.43Å
132	M	95.3	Very high	91.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.3	179.5	-65	-67.2	-71.1	0	0	109.8	F123 R124 K202 W203	F123-M132 CarbonylContact C-O 3.51Å; F123-M132 WeakPolarHBondContact CA-O 3.01Å; R124-M132 HydrophobicContact CB-CB 4.14Å; R124-M132 PolarHBondContact N-O 2.99Å; R124-M132 PolarHBondContact O-N 3.44Å; R124-M132 VanDerWaalsContact O-N 3.1Å; M132-K202 WeakPolarHBondContact CE-O 3.43Å; M132-W203 HydrophobicContact CB-CD2 4.11Å; M132-W203 HydrophobicContact CB-CE3 4.17Å; M132-W203 HydrophobicContact CB-CH2 3.74Å; M132-W203 HydrophobicContact CB-CZ2 3.66Å; M132-W203 HydrophobicContact CB-CZ3 4Å; M132-W203 HydrophobicContact CE-CD2 4.48Å; M132-W203 HydrophobicContact CE-CE3 4.12Å; M132-W203 HydrophobicContact CG-CH2 4.35Å; M132-W203 HydrophobicContact CG-CZ3 4.28Å
133	R	94.9	Very high	91.2	Very high	64 Å²	64	56.7 Å²	56.7	24%	0.242	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158.4	177.5	64.6	175.7	-68	162.2	4.3	112.4	D119 V121 I122 F123 K202 W203	D119-R133 IonicContact OD1-NH2 2.98Å; D119-R133 PolarHBondContact OD1-NH2 3.07Å; D119-R133 IonicContact OD2-CZ 2.73Å; D119-R133 IonicContact OD2-NH1 3.12Å; D119-R133 IonicContact OD2-NH2 2.89Å; D119-R133 PolarHBondContact OD2-NH2 2.89Å; V121-R133 HydrophobicContact CG2-CB 3.73Å; I122-R133 WeakPolarHBondContact O-CA 3.3Å; F123-R133 HydrophobicContact CD2-CB 3.54Å; F123-R133 HydrophobicContact CE2-CB 3.87Å; R133-K202 HydrophobicContact CG-CD 3.94Å; R133-K202 VanDerWaalsContact O-CA 3.28Å; R133-K202 WeakPolarHBondContact O-CA 3.44Å; R133-K202 VanDerWaalsContact O-CD 3.22Å; R133-K202 WeakPolarHBondContact O-CD 3.4Å; R133-W203 PolarHBondContact O-N 2.66Å
134	T	95.8	Very high	91.2	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.012	31%	0.313	C	S	.	.			trans	-65.2	156.4	166.1	46.6	0	0	0	0	111.2	V121 I122 L140 L141 K202	V121-T134 WeakPolarHBondContact CA-OG1 3.37Å; V121-T134 WeakPolarHBondContact CG2-OG1 3.47Å; I122-T134 HydrophobicContact CB-CG2 3.92Å; I122-T134 PolarHBondContact N-OG1 3.48Å; I122-T134 PolarHBondContact O-N 2.87Å; I122-T134 VanDerWaalsContact O-N 3.12Å; T134-L140 HydrophobicContact CG2-CD2 4.2Å; T134-L141 HydrophobicContact CG2-CD1 4.13Å; T134-K202 PolarHBondContact O-NZ 3.47Å
135	E	93.1	Very high	91.2	Very high	36 Å²	36	59.2 Å²	59.2	17%	0.168	33%	0.327	C	S	.	.			trans	-72	151.4	163.6	-67.3	-171.2	101.8	0	0	110.1	D137 L199 K202 R328	E135-D137 PolarHBondContact O-N 3.15Å; E135-L199 HydrophobicContact CG-CD2 4.21Å; E135-L199 VanDerWaalsContact OE2-CD2 3.23Å; E135-L199 WeakPolarHBondContact OE2-CD2 3.33Å; E135-K202 HydrophobicContact CG-CB 4.29Å; E135-K202 HydrophobicContact CG-CD 3.89Å; E135-K202 HydrophobicContact CG-CG 3.87Å; E135-R328 IonicContact OE1-CZ 3.52Å; E135-R328 VanDerWaalsContact OE1-CZ 3.32Å; E135-R328 IonicContact OE1-NE 2.72Å; E135-R328 PolarHBondContact OE1-NE 2.89Å; E135-R328 IonicContact OE1-NH2 3.68Å; E135-R328 PolarHBondContact OE1-NH2 3.46Å; E135-R328 WeakPolarHBondContact OE2-CD 3.45Å; E135-R328 WeakPolarHBondContact OE2-CG 3.29Å; E135-R328 IonicContact OE2-CZ 2.7Å; E135-R328 IonicContact OE2-NE 3.04Å; E135-R328 PolarHBondContact OE2-NE 2.77Å; E135-R328 IonicContact OE2-NH2 3.95Å
136	T	88.8	Confident	91.4	Very high	112 Å²	112	59 Å²	59	69%	0.687	33%	0.325	S	S	*	.	S	Bend	trans	-80.8	73.2	175.3	-48.9	0	0	0	0	108.5
137	D	87.6	Confident	91.8	Very high	57 Å²	57	58.8 Å²	58.8	31%	0.305	32%	0.324	S	S	.	.			trans	-131.8	127.4	179.2	-174.9	-15.7	0	0	0	109.3	E135 K139 L140 L141	E135-D137 PolarHBondContact O-N 3.15Å; D137-K139 PolarHBondContact O-N 2.91Å; D137-K139 WeakPolarHBondContact OD1-CB 3.04Å; D137-K139 WeakPolarHBondContact OD1-CG 3.07Å; D137-K139 PolarHBondContact OD1-N 3.49Å; D137-L140 HydrophobicContact CB-CD1 4.15Å; D137-L140 WeakPolarHBondContact O-CB 3.29Å; D137-L140 PolarHBondContact O-N 3.34Å; D137-L141 PolarHBondContact O-N 3.47Å; D137-L141 VanDerWaalsContact O-N 3.12Å
138	Q	85.9	Confident	92.4	Very high	135 Å²	135	56.8 Å²	56.8	63%	0.631	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.4	178.6	-68.3	179.3	-12.9	0	0	112.6	L140 L141 H142	Q138-L140 VanDerWaalsContact C-N 3.27Å; Q138-L140 PolarHBondContact O-N 2.92Å; Q138-L141 WeakPolarHBondContact CA-O 3.3Å; Q138-L141 CarbonylContact O-C 3.59Å; Q138-H142 HydrophobicContact CB-CB 4.36Å; Q138-H142 WeakPolarHBondContact O-CB 3.44Å
139	K	86.8	Confident	93.2	Very high	126 Å²	126	52.7 Å²	52.7	55%	0.548	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-36.4	173.3	-65.6	176.5	-177.5	176.9	0	111.7	D137 K208 P331	D137-K139 PolarHBondContact O-N 2.91Å; D137-K139 WeakPolarHBondContact OD1-CB 3.04Å; D137-K139 WeakPolarHBondContact OD1-CG 3.07Å; D137-K139 PolarHBondContact OD1-N 3.49Å; K139-K208 PolarHBondContact O-NZ 3.21Å; K139-K208 VanDerWaalsContact O-NZ 3.15Å; K139-P331 HydrophobicContact CB-CG 4.49Å; K139-P331 WeakPolarHBondContact O-CG 3.44Å
140	L	92.4	Very high	93.6	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.068	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-53	177	-88.1	76.8	0	0	0	110.8	T134 D137 Q138 F206 K208 P331	T134-L140 HydrophobicContact CG2-CD2 4.2Å; D137-L140 HydrophobicContact CB-CD1 4.15Å; D137-L140 WeakPolarHBondContact O-CB 3.29Å; D137-L140 PolarHBondContact O-N 3.34Å; Q138-L140 VanDerWaalsContact C-N 3.27Å; Q138-L140 PolarHBondContact O-N 2.92Å; L140-F206 HydrophobicContact CD2-CD1 4.35Å; L140-F206 HydrophobicContact CG-CD1 4.35Å; L140-K208 WeakPolarHBondContact O-CE 3.1Å; L140-K208 PolarHBondContact O-NZ 3.3Å; L140-P331 HydrophobicContact CD1-CG 4.36Å; L140-P331 HydrophobicContact CG-CB 4.44Å
141	L	94.6	Very high	94	Very high	14 Å²	14	47 Å²	47	7%	0.073	24%	0.236	C	C	.	.			trans	-143.9	121.3	-176.9	-66	172.8	0	0	0	110	I122 T134 D137 Q138 P144 F146 F167 F206	I122-L141 HydrophobicContact CD1-CD2 4.31Å; I122-L141 HydrophobicContact CG1-CD1 4.23Å; T134-L141 HydrophobicContact CG2-CD1 4.13Å; D137-L141 PolarHBondContact O-N 3.47Å; D137-L141 VanDerWaalsContact O-N 3.12Å; Q138-L141 WeakPolarHBondContact CA-O 3.3Å; Q138-L141 CarbonylContact O-C 3.59Å; L141-P144 HydrophobicContact CB-CG 4.15Å; L141-P144 HydrophobicContact CD2-CB 4.42Å; L141-P144 HydrophobicContact CD2-CG 4.37Å; L141-F146 HydrophobicContact CD1-CZ 4.15Å; L141-F146 HydrophobicContact CD2-CZ 4.42Å; L141-F167 HydrophobicContact CD2-CE2 3.8Å; L141-F167 HydrophobicContact CD2-CZ 3.81Å; L141-F206 HydrophobicContact CD2-CZ 4.33Å
142	H	93.4	Very high	94.2	Very high	52 Å²	52	43.4 Å²	43.4	24%	0.241	21%	0.214	C	C	.	.	S	Bend	trans	-120.9	96.3	179.6	-173.9	-158.1	0	0	0	111.5	Q138 E169 K170	Q138-H142 HydrophobicContact CB-CB 4.36Å; Q138-H142 WeakPolarHBondContact O-CB 3.44Å; H142-E169 PolarHBondContact N-OE2 2.94Å; H142-E169 WeakPolarHBondContact O-CB 3.41Å; H142-K170 HydrophobicContact CB-CB 4.43Å; H142-K170 WeakPolarHBondContact CB-O 3.05Å; H142-K170 VanDerWaalsContact ND1-CB 3.3Å; H142-K170 WeakPolarHBondContact ND1-CB 3.5Å; H142-K170 PolarHBondContact ND1-O 3.17Å; H142-K170 PolarHBondContact O-N 3.5Å
143	D	93.1	Very high	94.1	Very high	94 Å²	94	44.8 Å²	44.8	50%	0.503	22%	0.222	S	C	.	.	S	Bend	trans	53.1	54.9	-178.2	-162.9	17.8	0	0	0	113	K170	D143-K170 HydrophobicContact CB-CD 3.98Å; D143-K170 HydrophobicContact CB-CG 4.34Å; D143-K170 WeakPolarHBondContact OD2-CE 3.44Å; D143-K170 IonicContact OD2-NZ 2.73Å; D143-K170 PolarHBondContact OD2-NZ 3.28Å
144	P	95.7	Very high	93.9	Very high	5 Å²	5	43 Å²	43	3%	0.032	22%	0.218	C	C	.	.			trans	-75.6	137.2	-174.2	33.5	-38.6	0	0	0	112.9	S120 L141 F146 F167 T168 E169	S120-P144 VanDerWaalsContact CB-CD 3.44Å; S120-P144 VanDerWaalsContact CB-CG 3.44Å; L141-P144 HydrophobicContact CB-CG 4.15Å; L141-P144 HydrophobicContact CD2-CB 4.42Å; L141-P144 HydrophobicContact CD2-CG 4.37Å; P144-F146 HydrophobicContact CB-CE1 4.32Å; P144-F146 HydrophobicContact CB-CE2 4.09Å; P144-F146 HydrophobicContact CB-CZ 3.97Å; P144-F146 HydrophobicContact CG-CD2 4.43Å; P144-F146 HydrophobicContact CG-CE1 4.46Å; P144-F146 HydrophobicContact CG-CE2 3.62Å; P144-F146 HydrophobicContact CG-CZ 3.64Å; P144-F167 HydrophobicContact CB-CD2 3.8Å; P144-F167 HydrophobicContact CB-CE2 4.37Å; P144-F167 HydrophobicContact CB-CG 4.5Å; P144-T168 CarbonylContact C-O 3.47Å; P144-T168 WeakPolarHBondContact CA-O 3.3Å; P144-E169 HydrophobicContact CB-CB 4.38Å
145	R	96.5	Very high	93.6	Very high	79 Å²	79	44.5 Å²	44.5	30%	0.298	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	101.9	162.1	-179.2	-178.2	169.5	-160.8	-10.6	108.9	P97 I147 F167 T168 Q227 E229	P97-R145 HydrophobicContact CB-CG 3.8Å; P97-R145 HydrophobicContact CG-CB 4.31Å; P97-R145 HydrophobicContact CG-CG 3.88Å; R145-I147 HydrophobicContact CG-CD1 3.98Å; R145-F167 CarbonylContact O-C 3.6Å; R145-F167 WeakPolarHBondContact O-CA 3.47Å; R145-F167 VanDerWaalsContact O-CB 3.29Å; R145-F167 WeakPolarHBondContact O-CB 3.4Å; R145-T168 PolarHBondContact N-O 2.65Å; R145-T168 PolarHBondContact O-N 3.37Å; R145-Q227 VanDerWaalsContact NH1-NE2 3.14Å; R145-E229 IonicContact CZ-OE2 3.33Å; R145-E229 IonicContact NH1-OE1 2.72Å; R145-E229 IonicContact NH1-OE2 3.65Å; R145-E229 PolarHBondContact NH1-OE2 3.08Å; R145-E229 IonicContact NH2-OE2 2.75Å; R145-E229 PolarHBondContact NH2-OE2 2.82Å
146	F	97.9	Very high	93.6	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.013	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134	178.4	-62.4	-76.8	0	0	0	112.2	T99 I122 L141 P144 F167	T99-F146 HydrophobicContact CG2-CB 3.92Å; I122-F146 HydrophobicContact CD1-CE1 4.22Å; I122-F146 HydrophobicContact CG1-CE1 3.72Å; I122-F146 HydrophobicContact CG1-CZ 4.01Å; L141-F146 HydrophobicContact CD1-CZ 4.15Å; L141-F146 HydrophobicContact CD2-CZ 4.42Å; P144-F146 HydrophobicContact CB-CE1 4.32Å; P144-F146 HydrophobicContact CB-CE2 4.09Å; P144-F146 HydrophobicContact CB-CZ 3.97Å; P144-F146 HydrophobicContact CG-CD2 4.43Å; P144-F146 HydrophobicContact CG-CE1 4.46Å; P144-F146 HydrophobicContact CG-CE2 3.62Å; P144-F146 HydrophobicContact CG-CZ 3.64Å; F146-F167 HydrophobicContact CD1-CB 3.83Å; F146-F167 HydrophobicContact CD1-CD1 4.37Å; F146-F167 HydrophobicContact CD1-CG 4.2Å; F146-F167 HydrophobicContact CE1-CB 4.39Å; F146-F167 HydrophobicContact CE1-CD1 4.37Å; F146-F167 HydrophobicContact CE1-CG 4.3Å; F146-F167 HydrophobicContact CG-CB 4.43Å
147	I	98.1	Very high	93.8	Very high	27 Å²	27	44.9 Å²	44.9	14%	0.138	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-56.6	-175.7	-56.6	-60.3	0	0	0	110.9	T99 R145 F166 L228 V231	T99-I147 PolarHBondContact OG1-O 2.95Å; R145-I147 HydrophobicContact CG-CD1 3.98Å; I147-F166 PolarHBondContact N-O 2.87Å; I147-L228 HydrophobicContact CB-CD2 3.78Å; I147-L228 HydrophobicContact CB-CG 4.25Å; I147-L228 HydrophobicContact CG1-CB 4.16Å; I147-L228 HydrophobicContact CG1-CD2 3.69Å; I147-L228 HydrophobicContact CG1-CG 3.87Å; I147-L228 HydrophobicContact CG2-CD2 4.15Å; I147-L228 HydrophobicContact CG2-CG 4.24Å; I147-V231 HydrophobicContact CG2-CG2 4.17Å
148	A	98	Very high	94	Very high	7 Å²	7	51.9 Å²	51.9	6%	0.058	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.2	-175.8	0	0	0	0	0	113.2	T99 F165 F166 V231	T99-A148 WeakPolarHBondContact OG1-CA 3.29Å; T99-A148 PolarHBondContact OG1-N 3.37Å; A148-F165 CarbonylContact O-C 3.59Å; A148-F165 WeakPolarHBondContact O-CA 2.96Å; A148-F166 HydrophobicContact CB-CB 4.26Å; A148-F166 HydrophobicContact CB-CD2 4.13Å; A148-F166 PolarHBondContact N-O 2.77Å; A148-F166 PolarHBondContact O-N 3.47Å; A148-V231 HydrophobicContact CB-CB 3.66Å; A148-V231 HydrophobicContact CB-CG1 4.15Å; A148-V231 HydrophobicContact CB-CG2 4.25Å
149	A	98.2	Very high	94.4	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.033	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	133.4	170.4	0	0	0	0	0	111.1	T99 T101 Y164 F165	T99-A149 HydrophobicContact CG2-CB 3.79Å; T99-A149 PolarHBondContact OG1-N 2.95Å; T101-A149 WeakPolarHBondContact CB-O 3.21Å; T101-A149 HydrophobicContact CG2-CB 4.04Å; A149-Y164 CarbonylContact C-O 3.57Å; A149-Y164 WeakPolarHBondContact CA-O 3.14Å; A149-F165 HydrophobicContact CB-CD1 3.79Å; A149-F165 HydrophobicContact CB-CE1 3.88Å
150	H	97.8	Very high	94.7	Very high	39 Å²	39	44.1 Å²	44.1	18%	0.181	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	138.7	-177.6	-60	-56.7	0	0	0	111.5	I152 V163 Y164 M233	H150-I152 HydrophobicContact CB-CD1 4.24Å; H150-I152 HydrophobicContact CB-CG1 4.09Å; H150-V163 WeakPolarHBondContact O-CA 3.42Å; H150-Y164 PolarHBondContact N-O 2.8Å; H150-Y164 PolarHBondContact O-N 2.84Å; H150-M233 HydrophobicContact CB-SD 3.89Å
151	V	97	Very high	94.9	Very high	40 Å²	40	44.9 Å²	44.9	24%	0.242	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.4	167.3	-176.5	0	0	0	0	107.6	T101 K162 V163	T101-V151 HydrophobicContact CG2-CG2 3.97Å; V151-K162 WeakPolarHBondContact CA-O 3.24Å; V151-V163 HydrophobicContact CG2-CG2 4.23Å
152	I	96.7	Very high	95	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	118.5	178.7	-50.9	174.2	0	0	0	108.2	H150 K162 Y164 M233 P242 I244 M265	H150-I152 HydrophobicContact CB-CD1 4.24Å; H150-I152 HydrophobicContact CB-CG1 4.09Å; I152-K162 PolarHBondContact N-O 2.93Å; I152-K162 PolarHBondContact O-N 3.02Å; I152-Y164 HydrophobicContact CB-CD2 3.76Å; I152-Y164 HydrophobicContact CB-CE2 3.81Å; I152-Y164 HydrophobicContact CD1-CD2 4.02Å; I152-Y164 HydrophobicContact CD1-CG 4.38Å; I152-Y164 HydrophobicContact CG1-CD2 4.03Å; I152-M233 HydrophobicContact CD1-SD 4.04Å; I152-M233 HydrophobicContact CG1-SD 3.99Å; I152-P242 HydrophobicContact CD1-CG 4.07Å; I152-P242 HydrophobicContact CG2-CG 4.11Å; I152-I244 HydrophobicContact CD1-CD1 4.29Å; I152-M265 HydrophobicContact CB-CE 4.42Å; I152-M265 HydrophobicContact CD1-CE 3.95Å; I152-M265 HydrophobicContact CD1-CG 4.42Å; I152-M265 HydrophobicContact CD1-SD 3.67Å; I152-M265 HydrophobicContact CG2-CE 4.03Å; I152-M265 HydrophobicContact CG2-CG 4.4Å
153	P	93.5	Very high	95.3	Very high	29 Å²	29	41.9 Å²	41.9	19%	0.188	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	136.5	174.9	25.9	-31.6	0	0	0	110.3	D161 R240 R269	P153-D161 VanDerWaalsContact CB-OD1 3.31Å; P153-D161 WeakPolarHBondContact CB-OD1 2.95Å; P153-R240 HydrophobicContact CB-CG 4.12Å; P153-R240 HydrophobicContact CG-CG 3.8Å; P153-R269 PolarHBondContact O-NH2 3.13Å
154	D	90.3	Very high	95.5	Very high	27 Å²	27	37.4 Å²	37.4	14%	0.144	18%	0.182	C	C	.	.	S	Bend	trans	-83.2	-26.2	174.2	-89.1	-0.3	0	0	0	112.5	D160 K162 Y164 R187 R269	D154-D160 WeakPolarHBondContact CB-OD2 3.47Å; D154-K162 WeakPolarHBondContact OD2-CD 3.46Å; D154-K162 VanDerWaalsContact OD2-CE 3.25Å; D154-K162 WeakPolarHBondContact OD2-CE 3.23Å; D154-K162 IonicContact OD2-NZ 3.49Å; D154-K162 PolarHBondContact OD2-NZ 3.33Å; D154-Y164 PolarHBondContact OD1-OH 2.86Å; D154-Y164 PolarHBondContact OD2-OH 3.49Å; D154-R187 IonicContact OD2-NH1 3.65Å; D154-R187 PolarHBondContact OD2-NH1 3.42Å; D154-R269 IonicContact OD1-CZ 3.59Å; D154-R269 IonicContact OD1-NE 2.78Å; D154-R269 PolarHBondContact OD1-NE 2.97Å; D154-R269 IonicContact OD1-NH2 3.63Å; D154-R269 PolarHBondContact OD1-NH2 2.91Å
155	N	91.4	Very high	95.7	Very high	34 Å²	34	37.2 Å²	37.2	18%	0.182	18%	0.18	C	C	.	.	S	Bend	trans	-158.5	-165.6	178.7	53.6	71.8	0	0	0	110.2	D157 D160 I305	N155-D157 VanDerWaalsContact C-N 3.32Å; N155-D157 WeakPolarHBondContact OD1-CA 3.42Å; N155-D157 VanDerWaalsContact OD1-CB 3.23Å; N155-D157 WeakPolarHBondContact OD1-CB 3.46Å; N155-D157 PolarHBondContact OD1-N 2.92Å; N155-D157 PolarHBondContact OD1-O 3.26Å; N155-D160 PolarHBondContact ND2-OD2 3.35Å; N155-I305 HydrophobicContact CB-CD1 4.15Å; N155-I305 WeakPolarHBondContact ND2-CD1 3.42Å; N155-I305 WeakPolarHBondContact OD1-CD1 3.4Å
156	D	91.8	Very high	95.8	Very high	134 Å²	134	33.5 Å²	33.5	72%	0.717	17%	0.166	S	C	*	.	S	Bend	trans	-78.4	-13.5	-178.1	-64.7	-39.2	0	0	0	114	R158 R240	D156-R158 PolarHBondContact O-N 2.94Å; D156-R240 IonicContact OD1-CZ 3.58Å; D156-R240 IonicContact OD1-NE 3.71Å; D156-R240 IonicContact OD1-NH1 4Å; D156-R240 PolarHBondContact OD1-NH1 2.04Å; D156-R240 IonicContact OD2-NH1 2.84Å; D156-R240 PolarHBondContact OD2-NH1 3.43Å
157	D	92.8	Very high	95.8	Very high	21 Å²	21	33.3 Å²	33.3	11%	0.112	17%	0.166	C	C	.	.			trans	-82.5	111.2	175.1	-167.5	7.1	0	0	0	110.3	N155 D159 D160 S303 K304	N155-D157 VanDerWaalsContact C-N 3.32Å; N155-D157 WeakPolarHBondContact OD1-CA 3.42Å; N155-D157 VanDerWaalsContact OD1-CB 3.23Å; N155-D157 WeakPolarHBondContact OD1-CB 3.46Å; N155-D157 PolarHBondContact OD1-N 2.92Å; N155-D157 PolarHBondContact OD1-O 3.26Å; D157-D159 PolarHBondContact O-N 3.4Å; D157-D159 PolarHBondContact OD1-N 2.84Å; D157-D160 WeakPolarHBondContact O-CA 3.24Å; D157-D160 WeakPolarHBondContact O-CB 3.47Å; D157-D160 PolarHBondContact O-N 3.38Å; D157-S303 WeakPolarHBondContact OD2-CB 3.34Å; D157-K304 VanDerWaalsContact OD2-CB 3.3Å; D157-K304 WeakPolarHBondContact OD2-CB 3.49Å; D157-K304 WeakPolarHBondContact OD2-CG 3.34Å; D157-K304 PolarHBondContact OD2-N 3.43Å
158	R	92.4	Very high	95.8	Very high	205 Å²	205	32.3 Å²	32.3	77%	0.774	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-64.4	-23	-179.5	-66.7	-169.1	177.9	-170.7	-1.6	113.4	D156 D160 D161	D156-R158 PolarHBondContact O-N 2.94Å; R158-D160 PolarHBondContact O-N 2.91Å; R158-D161 VanDerWaalsContact O-CB 3.29Å; R158-D161 WeakPolarHBondContact O-CB 3.47Å; R158-D161 VanDerWaalsContact O-CG 3.27Å; R158-D161 PolarHBondContact O-N 2.75Å; R158-D161 VanDerWaalsContact O-N 3.12Å
159	D	93.5	Very high	95.7	Very high	85 Å²	85	32.2 Å²	32.2	46%	0.455	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-68.6	-10.3	172.3	-71.7	-32.4	0	0	0	112.1	D157 N191 C301	D157-D159 PolarHBondContact O-N 3.4Å; D157-D159 PolarHBondContact OD1-N 2.84Å; D159-N191 PolarHBondContact O-ND2 3.04Å; D159-N191 PolarHBondContact O-OD1 3.27Å; D159-C301 WeakPolarHBondContact O-CB 3.37Å
160	D	94.1	Very high	95.4	Very high	13 Å²	13	35.9 Å²	35.9	7%	0.07	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-104.7	12.3	172.5	-159.1	47.8	0	0	0	113.6	D154 N155 D157 R158 K162 C301	D154-D160 WeakPolarHBondContact CB-OD2 3.47Å; N155-D160 PolarHBondContact ND2-OD2 3.35Å; D157-D160 WeakPolarHBondContact O-CA 3.24Å; D157-D160 WeakPolarHBondContact O-CB 3.47Å; D157-D160 PolarHBondContact O-N 3.38Å; R158-D160 PolarHBondContact O-N 2.91Å; D160-K162 PolarHBondContact O-NZ 3.2Å; D160-K162 IonicContact OD1-NZ 3.78Å; D160-K162 PolarHBondContact OD1-NZ 3.34Å; D160-K162 IonicContact OD2-NZ 3.48Å; D160-K162 PolarHBondContact OD2-NZ 3.29Å; D160-C301 VanDerWaalsContact OD1-CB 3.31Å; D160-C301 WeakPolarHBondContact OD1-CB 3.22Å; D160-C301 PolarHBondContact OD1-SG 3.38Å
161	D	95.6	Very high	94.9	Very high	29 Å²	29	34.3 Å²	34.3	16%	0.155	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	136.6	171.8	-75	-8.5	0	0	0	110.7	P153 R158 V190	P153-D161 VanDerWaalsContact CB-OD1 3.31Å; P153-D161 WeakPolarHBondContact CB-OD1 2.95Å; R158-D161 VanDerWaalsContact O-CB 3.29Å; R158-D161 WeakPolarHBondContact O-CB 3.47Å; R158-D161 VanDerWaalsContact O-CG 3.27Å; R158-D161 PolarHBondContact O-N 2.75Å; R158-D161 VanDerWaalsContact O-N 3.12Å; D161-V190 HydrophobicContact CB-CB 4.26Å; D161-V190 HydrophobicContact CB-CG2 3.92Å; D161-V190 WeakPolarHBondContact O-CB 3.48Å; D161-V190 WeakPolarHBondContact O-CG2 3.15Å; D161-V190 PolarHBondContact O-N 3.22Å
162	K	97.5	Very high	94	Very high	3 Å²	3	36 Å²	36	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.2	-177.6	-63.5	-178.2	-170.8	66.1	0	111.8	V151 I152 D154 D160 Y164 R187 V188 C301	V151-K162 WeakPolarHBondContact CA-O 3.24Å; I152-K162 PolarHBondContact N-O 2.93Å; I152-K162 PolarHBondContact O-N 3.02Å; D154-K162 WeakPolarHBondContact OD2-CD 3.46Å; D154-K162 VanDerWaalsContact OD2-CE 3.25Å; D154-K162 WeakPolarHBondContact OD2-CE 3.23Å; D154-K162 IonicContact OD2-NZ 3.49Å; D154-K162 PolarHBondContact OD2-NZ 3.33Å; D160-K162 PolarHBondContact O-NZ 3.2Å; D160-K162 IonicContact OD1-NZ 3.78Å; D160-K162 PolarHBondContact OD1-NZ 3.34Å; D160-K162 IonicContact OD2-NZ 3.48Å; D160-K162 PolarHBondContact OD2-NZ 3.29Å; K162-Y164 HydrophobicContact CB-CD2 4.3Å; K162-Y164 HydrophobicContact CB-CE2 3.74Å; K162-R187 HydrophobicContact CD-CG 4.4Å; K162-V188 CarbonylContact C-O 3.54Å; K162-V188 VanDerWaalsContact CA-O 3.23Å; K162-V188 WeakPolarHBondContact CA-O 3.32Å; K162-V188 WeakPolarHBondContact CB-O 3.49Å; K162-C301 WeakPolarHBondContact CE-SG 3.21Å
163	V	98.5	Very high	93.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121	168.4	-173.5	0	0	0	0	108.3	T101 Y108 H150 V151 F165 R187 V188 V190	T101-V163 HydrophobicContact CG2-CG1 3.55Å; Y108-V163 HydrophobicContact CD1-CB 4.2Å; Y108-V163 HydrophobicContact CD1-CG1 4.34Å; Y108-V163 HydrophobicContact CD1-CG2 3.7Å; Y108-V163 HydrophobicContact CD2-CG2 4.2Å; Y108-V163 HydrophobicContact CE1-CG2 3.77Å; Y108-V163 HydrophobicContact CE2-CG2 4.31Å; Y108-V163 HydrophobicContact CG-CG1 4.32Å; Y108-V163 HydrophobicContact CG-CG2 3.93Å; H150-V163 WeakPolarHBondContact O-CA 3.42Å; V151-V163 HydrophobicContact CG2-CG2 4.23Å; V163-F165 HydrophobicContact CB-CE2 4.03Å; V163-F165 HydrophobicContact CG1-CD2 4.22Å; V163-F165 HydrophobicContact CG1-CE1 4.48Å; V163-F165 HydrophobicContact CG1-CE2 3.54Å; V163-F165 HydrophobicContact CG1-CZ 3.71Å; V163-R187 CarbonylContact O-C 3.56Å; V163-R187 WeakPolarHBondContact O-CA 3.46Å; V163-V188 HydrophobicContact CB-CG2 3.96Å; V163-V188 PolarHBondContact N-O 2.68Å; V163-V188 PolarHBondContact O-N 3.07Å; V163-V190 HydrophobicContact CG2-CG2 3.8Å
164	Y	98.7	Very high	91.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.6	177.2	-70.3	-95.2	0	0	0	109.8	A149 H150 I152 D154 K162 V185 G186 R187 M265 I268 F272	A149-Y164 CarbonylContact C-O 3.57Å; A149-Y164 WeakPolarHBondContact CA-O 3.14Å; H150-Y164 PolarHBondContact N-O 2.8Å; H150-Y164 PolarHBondContact O-N 2.84Å; I152-Y164 HydrophobicContact CB-CD2 3.76Å; I152-Y164 HydrophobicContact CB-CE2 3.81Å; I152-Y164 HydrophobicContact CD1-CD2 4.02Å; I152-Y164 HydrophobicContact CD1-CG 4.38Å; I152-Y164 HydrophobicContact CG1-CD2 4.03Å; D154-Y164 PolarHBondContact OD1-OH 2.86Å; D154-Y164 PolarHBondContact OD2-OH 3.49Å; K162-Y164 HydrophobicContact CB-CD2 4.3Å; K162-Y164 HydrophobicContact CB-CE2 3.74Å; Y164-V185 HydrophobicContact CD1-CG2 3.92Å; Y164-G186 CarbonylContact C-O 3.53Å; Y164-G186 VanDerWaalsContact CA-O 3.28Å; Y164-G186 WeakPolarHBondContact CA-O 3.4Å; Y164-R187 HydrophobicContact CD1-CB 3.79Å; Y164-R187 HydrophobicContact CE1-CB 3.8Å; Y164-R187 HydrophobicContact CE1-CG 4.38Å; Y164-R187 HydrophobicContact CG-CB 4.28Å; Y164-R187 PolarHBondContact OH-NH1 3.32Å; Y164-M265 HydrophobicContact CD1-CE 4.32Å; Y164-M265 HydrophobicContact CD2-CE 4.36Å; Y164-M265 HydrophobicContact CE1-CE 3.83Å; Y164-M265 HydrophobicContact CE2-CE 3.88Å; Y164-I268 HydrophobicContact CD1-CG2 4.45Å; Y164-I268 HydrophobicContact CE1-CG2 4.01Å; Y164-F272 HydrophobicContact CD1-CE2 4.26Å; Y164-F272 HydrophobicContact CE1-CD2 4.29Å; Y164-F272 AromaticContact CE1-CE2 3.76Å; Y164-F272 HydrophobicContact CE1-CE2 3.76Å
165	F	98.8	Very high	90.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.6	177.7	-66.4	-92.5	0	0	0	109.8	T99 I122 A148 A149 V163 F167 V185 G186 V188	T99-F165 HydrophobicContact CG2-CD1 4.22Å; I122-F165 HydrophobicContact CD1-CB 4.37Å; I122-F165 HydrophobicContact CD1-CD2 4.17Å; I122-F165 HydrophobicContact CD1-CG 4.13Å; I122-F165 HydrophobicContact CG1-CD1 4.44Å; I122-F165 HydrophobicContact CG1-CG 4.48Å; I122-F165 HydrophobicContact CG2-CD1 4.42Å; I122-F165 HydrophobicContact CG2-CD2 4.11Å; I122-F165 HydrophobicContact CG2-CE1 3.88Å; I122-F165 HydrophobicContact CG2-CE2 3.52Å; I122-F165 HydrophobicContact CG2-CZ 3.39Å; A148-F165 CarbonylContact O-C 3.59Å; A148-F165 WeakPolarHBondContact O-CA 2.96Å; A149-F165 HydrophobicContact CB-CD1 3.79Å; A149-F165 HydrophobicContact CB-CE1 3.88Å; V163-F165 HydrophobicContact CB-CE2 4.03Å; V163-F165 HydrophobicContact CG1-CD2 4.22Å; V163-F165 HydrophobicContact CG1-CE1 4.48Å; V163-F165 HydrophobicContact CG1-CE2 3.54Å; V163-F165 HydrophobicContact CG1-CZ 3.71Å; F165-F167 HydrophobicContact CB-CD1 4.24Å; F165-F167 HydrophobicContact CB-CE1 4.45Å; F165-V185 CarbonylContact O-C 3.54Å; F165-V185 WeakPolarHBondContact O-CA 3.36Å; F165-G186 PolarHBondContact N-O 3.41Å; F165-G186 PolarHBondContact O-N 3.41Å; F165-V188 HydrophobicContact CE2-CG2 4.05Å
166	F	98.8	Very high	88.4	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124	177.8	-59.7	-94	0	0	0	109.2	I147 A148 R184 V185 L211 L228 V231 I244	I147-F166 PolarHBondContact N-O 2.87Å; A148-F166 HydrophobicContact CB-CB 4.26Å; A148-F166 HydrophobicContact CB-CD2 4.13Å; A148-F166 PolarHBondContact N-O 2.77Å; A148-F166 PolarHBondContact O-N 3.47Å; F166-R184 WeakPolarHBondContact CA-O 3.37Å; F166-V185 HydrophobicContact CD1-CB 4.09Å; F166-V185 HydrophobicContact CD1-CG2 4.09Å; F166-V185 HydrophobicContact CE1-CB 3.97Å; F166-V185 HydrophobicContact CE1-CG2 3.65Å; F166-V185 HydrophobicContact CZ-CG2 3.96Å; F166-L211 HydrophobicContact CD1-CD2 4.26Å; F166-L228 HydrophobicContact CB-CD2 3.92Å; F166-V231 HydrophobicContact CB-CG2 3.9Å; F166-V231 HydrophobicContact CD1-CG2 4.47Å; F166-V231 HydrophobicContact CD2-CG1 4.3Å; F166-V231 HydrophobicContact CG-CG1 4.28Å; F166-V231 HydrophobicContact CG-CG2 4.18Å; F166-I244 HydrophobicContact CE1-CG2 3.9Å; F166-I244 HydrophobicContact CZ-CD1 4.49Å; F166-I244 HydrophobicContact CZ-CG1 4.39Å; F166-I244 HydrophobicContact CZ-CG2 3.98Å
167	F	98.6	Very high	86.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	160.1	-173.9	59.8	-83.9	0	0	0	111.4	L141 P144 R145 F146 F165 E169 R184 F206 K208	L141-F167 HydrophobicContact CD2-CE2 3.8Å; L141-F167 HydrophobicContact CD2-CZ 3.81Å; P144-F167 HydrophobicContact CB-CD2 3.8Å; P144-F167 HydrophobicContact CB-CE2 4.37Å; P144-F167 HydrophobicContact CB-CG 4.5Å; R145-F167 CarbonylContact O-C 3.6Å; R145-F167 WeakPolarHBondContact O-CA 3.47Å; R145-F167 VanDerWaalsContact O-CB 3.29Å; R145-F167 WeakPolarHBondContact O-CB 3.4Å; F146-F167 HydrophobicContact CD1-CB 3.83Å; F146-F167 HydrophobicContact CD1-CD1 4.37Å; F146-F167 HydrophobicContact CD1-CG 4.2Å; F146-F167 HydrophobicContact CE1-CB 4.39Å; F146-F167 HydrophobicContact CE1-CD1 4.37Å; F146-F167 HydrophobicContact CE1-CG 4.3Å; F146-F167 HydrophobicContact CG-CB 4.43Å; F165-F167 HydrophobicContact CB-CD1 4.24Å; F165-F167 HydrophobicContact CB-CE1 4.45Å; F167-E169 HydrophobicContact CD2-CB 4.17Å; F167-E169 HydrophobicContact CD2-CG 4.5Å; F167-E169 HydrophobicContact CE2-CB 4.19Å; F167-E169 HydrophobicContact CE2-CG 4.16Å; F167-R184 HydrophobicContact CD1-CB 4.3Å; F167-R184 HydrophobicContact CD2-CB 4.09Å; F167-R184 HydrophobicContact CD2-CG 4.34Å; F167-R184 HydrophobicContact CE1-CB 3.93Å; F167-R184 HydrophobicContact CE2-CB 3.72Å; F167-R184 HydrophobicContact CE2-CG 3.82Å; F167-R184 HydrophobicContact CG-CB 4.37Å; F167-R184 HydrophobicContact CZ-CB 3.63Å; F167-R184 HydrophobicContact CZ-CG 4.1Å; F167-R184 PolarHBondContact N-O 3.31Å; F167-R184 VanDerWaalsContact N-O 3.11Å; F167-R184 PolarHBondContact O-N 3.1Å; F167-F206 HydrophobicContact CZ-CZ 4.48Å; F167-K208 HydrophobicContact CZ-CD 4.18Å
168	T	97.6	Very high	84.9	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.6	168.3	-62	0	0	0	0	108.9	P144 R145 I181 H182 L228	P144-T168 CarbonylContact C-O 3.47Å; P144-T168 WeakPolarHBondContact CA-O 3.3Å; R145-T168 PolarHBondContact N-O 2.65Å; R145-T168 PolarHBondContact O-N 3.37Å; T168-I181 HydrophobicContact CG2-CG2 3.08Å; T168-H182 WeakPolarHBondContact CA-O 3.3Å; T168-L228 VanDerWaalsContact OG1-CB 3.23Å; T168-L228 WeakPolarHBondContact OG1-CB 3.02Å; T168-L228 PolarHBondContact OG1-N 2.97Å
169	E	95.4	Very high	83.8	Confident	5 Å²	5	53.6 Å²	53.6	2%	0.023	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167	176	71.2	175.3	166.5	0	0	111.4	H142 P144 F167 H182 R184 K208	H142-E169 PolarHBondContact N-OE2 2.94Å; H142-E169 WeakPolarHBondContact O-CB 3.41Å; P144-E169 HydrophobicContact CB-CB 4.38Å; F167-E169 HydrophobicContact CD2-CB 4.17Å; F167-E169 HydrophobicContact CD2-CG 4.5Å; F167-E169 HydrophobicContact CE2-CB 4.19Å; F167-E169 HydrophobicContact CE2-CG 4.16Å; E169-H182 PolarHBondContact N-O 3.3Å; E169-H182 PolarHBondContact O-N 3.09Å; E169-R184 HydrophobicContact CG-CG 3.84Å; E169-R184 VanDerWaalsContact OE1-CG 3.28Å; E169-R184 WeakPolarHBondContact OE1-CG 3.3Å; E169-R184 IonicContact OE1-CZ 2.84Å; E169-R184 IonicContact OE1-NE 2.96Å; E169-R184 PolarHBondContact OE1-NE 3.07Å; E169-R184 IonicContact OE1-NH2 3.3Å; E169-K208 WeakPolarHBondContact OE1-CD 3.23Å; E169-K208 VanDerWaalsContact OE1-CE 3.23Å; E169-K208 WeakPolarHBondContact OE1-CE 3.49Å; E169-K208 IonicContact OE1-NZ 3.42Å; E169-K208 PolarHBondContact OE1-NZ 3.29Å; E169-K208 IonicContact OE2-NZ 3.5Å; E169-K208 PolarHBondContact OE2-NZ 3.12Å
170	K	93.1	Very high	83.4	Confident	81 Å²	81	50.8 Å²	50.8	35%	0.352	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.4	169.7	-71	175.3	177.7	157.7	0	110	H142 D143	H142-K170 HydrophobicContact CB-CB 4.43Å; H142-K170 WeakPolarHBondContact CB-O 3.05Å; H142-K170 VanDerWaalsContact ND1-CB 3.3Å; H142-K170 WeakPolarHBondContact ND1-CB 3.5Å; H142-K170 PolarHBondContact ND1-O 3.17Å; H142-K170 PolarHBondContact O-N 3.5Å; D143-K170 HydrophobicContact CB-CD 3.98Å; D143-K170 HydrophobicContact CB-CG 4.34Å; D143-K170 WeakPolarHBondContact OD2-CE 3.44Å; D143-K170 IonicContact OD2-NZ 2.73Å; D143-K170 PolarHBondContact OD2-NZ 3.28Å
171	A	87.8	Confident	83.3	Confident	7 Å²	7	51.9 Å²	51.9	6%	0.058	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.4	-174.3	0	0	0	0	0	110.8	E173 A180 H182	A171-E173 WeakPolarHBondContact CB-OE2 3.45Å; A171-A180 WeakPolarHBondContact CA-O 3.44Å; A171-A180 HydrophobicContact CB-CB 4.32Å; A171-A180 VanDerWaalsContact CB-O 3.25Å; A171-A180 WeakPolarHBondContact CB-O 3.37Å; A171-A180 PolarHBondContact N-O 3.02Å; A171-H182 HydrophobicContact CB-CB 3.97Å; A171-H182 WeakPolarHBondContact CB-CD2 3.34Å
172	S	77.4	Confident	83.3	Confident	76 Å²	76	51.1 Å²	51.1	53%	0.531	28%	0.279	S	S	.	.	S	Bend	trans	-97.4	-3.9	177	55.7	0	0	0	0	112.9	W286	S172-W286 PolarHBondContact O-NE1 3.01Å; S172-W286 VanDerWaalsContact O-NE1 3.13Å
173	E	79	Confident	83.3	Confident	41 Å²	41	51 Å²	51	19%	0.192	28%	0.278	C	S	.	.			trans	-86.3	-4.9	178.4	76.6	-89.5	-150	0	0	115.2	A171 G175 H182 R184 W286	A171-E173 WeakPolarHBondContact CB-OE2 3.45Å; E173-G175 PolarHBondContact O-N 2.63Å; E173-G175 VanDerWaalsContact O-N 3.15Å; E173-H182 IonicContact OE1-CD2 2.77Å; E173-H182 PolarHBondContact OE1-CD2 3.46Å; E173-H182 VanDerWaalsContact OE1-CD2 3.3Å; E173-R184 IonicContact OE1-CZ 2.85Å; E173-R184 IonicContact OE1-NH1 3.77Å; E173-R184 PolarHBondContact OE1-NH1 3.42Å; E173-R184 IonicContact OE1-NH2 2.63Å; E173-R184 PolarHBondContact OE1-NH2 3.44Å; E173-R184 IonicContact OE2-NH2 3.63Å; E173-R184 PolarHBondContact OE2-NH2 3.09Å; E173-W286 VanDerWaalsContact CA-CD1 3.5Å; E173-W286 HydrophobicContact CB-CB 4.48Å; E173-W286 HydrophobicContact CB-CD2 3.92Å; E173-W286 HydrophobicContact CB-CG 3.88Å
174	G	61.5	Low	83.3	Confident	34 Å²	34	51.1 Å²	51.1	35%	0.351	28%	0.279	S	S	.	.	S	Bend	trans	-74.1	5.6	-177.1	0	0	0	0	0	116.4
175	G	62.5	Low	83.3	Confident	52 Å²	52	51.1 Å²	51.1	54%	0.536	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	-149.9	-174	0	0	0	0	0	113.1	E173 K177	E173-G175 PolarHBondContact O-N 2.63Å; E173-G175 VanDerWaalsContact O-N 3.15Å; G175-K177 PolarHBondContact O-N 2.87Å
176	D	50.8	Low	83.3	Confident	172 Å²	172	51.1 Å²	51.1	92%	0.92	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-0.7	-178.7	-73.2	-15	0	0	0	114.9	E178	D176-E178 VanDerWaalsContact C-N 3.29Å; D176-E178 PolarHBondContact O-N 3.41Å; D176-E178 VanDerWaalsContact O-N 3.12Å
177	K	59.2	Low	83.2	Confident	169 Å²	169	51.5 Å²	51.5	74%	0.735	28%	0.28	S	S	*	.			trans	-82.4	80.2	166.6	-68.5	-176.4	179.8	179.9	0	108.2	G175 E179 A180	G175-K177 PolarHBondContact O-N 2.87Å; K177-E179 PolarHBondContact O-N 2.98Å; K177-A180 PolarHBondContact O-N 3.18Å
178	E	52.4	Low	83.2	Confident	187 Å²	187	51.5 Å²	51.5	87%	0.874	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	3.8	-173.8	-89.9	-174.4	149.8	0	0	116.7	D176	D176-E178 VanDerWaalsContact C-N 3.29Å; D176-E178 PolarHBondContact O-N 3.41Å; D176-E178 VanDerWaalsContact O-N 3.12Å
179	E	69.6	Low	83.2	Confident	165 Å²	165	51.3 Å²	51.3	77%	0.771	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.5	28.4	-174.4	-59.9	-173.7	154.8	0	0	114.2	K177 I181	K177-E179 PolarHBondContact O-N 2.98Å; E179-I181 PolarHBondContact O-N 3.41Å
180	A	84.9	Confident	83.3	Confident	26 Å²	26	52 Å²	52	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	129.7	175	0	0	0	0	0	110.5	A171 K177	A171-A180 WeakPolarHBondContact CA-O 3.44Å; A171-A180 HydrophobicContact CB-CB 4.32Å; A171-A180 VanDerWaalsContact CB-O 3.25Å; A171-A180 WeakPolarHBondContact CB-O 3.37Å; A171-A180 PolarHBondContact N-O 3.02Å; K177-A180 PolarHBondContact O-N 3.18Å
181	I	92.1	Very high	83.4	Confident	36 Å²	36	49.5 Å²	49.5	19%	0.185	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.8	173.2	-65.9	171.8	0	0	0	108.4	T168 E179 N226 I251	T168-I181 HydrophobicContact CG2-CG2 3.08Å; E179-I181 PolarHBondContact O-N 3.41Å; I181-N226 VanDerWaalsContact O-CB 3.3Å; I181-N226 WeakPolarHBondContact O-CB 3.32Å; I181-I251 HydrophobicContact CB-CD1 3.69Å; I181-I251 HydrophobicContact CB-CG1 4.32Å; I181-I251 HydrophobicContact CD1-CD1 4.48Å; I181-I251 HydrophobicContact CD1-CG1 4.48Å; I181-I251 HydrophobicContact CD1-CG2 4.08Å; I181-I251 HydrophobicContact CG1-CD1 4.47Å; I181-I251 HydrophobicContact CG2-CD1 4.38Å
182	H	94.7	Very high	83.8	Confident	13 Å²	13	49.1 Å²	49.1	6%	0.06	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.3	177	-72.9	-16.3	0	0	0	112	T168 E169 A171 E173 R210	T168-H182 WeakPolarHBondContact CA-O 3.3Å; E169-H182 PolarHBondContact N-O 3.3Å; E169-H182 PolarHBondContact O-N 3.09Å; A171-H182 HydrophobicContact CB-CB 3.97Å; A171-H182 WeakPolarHBondContact CB-CD2 3.34Å; E173-H182 IonicContact OE1-CD2 2.77Å; E173-H182 PolarHBondContact OE1-CD2 3.46Å; E173-H182 VanDerWaalsContact OE1-CD2 3.3Å; H182-R210 HydrophobicContact CB-CG 4.49Å; H182-R210 PolarHBondContact CE1-NH2 3.03Å
183	T	97.9	Very high	84.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	140.7	167.4	-59.4	0	0	0	0	110.3	L211 N226 L228 F248	T183-L211 HydrophobicContact CG2-CB 3.99Å; T183-L211 HydrophobicContact CG2-CD2 4.07Å; T183-L211 PolarHBondContact O-N 3.05Å; T183-N226 PolarHBondContact N-O 2.8Å; T183-N226 PolarHBondContact OG1-O 2.83Å; T183-L228 HydrophobicContact CG2-CB 3.76Å; T183-L228 HydrophobicContact CG2-CD1 4.14Å; T183-L228 HydrophobicContact CG2-CD2 3.8Å; T183-L228 HydrophobicContact CG2-CG 4.12Å; T183-F248 HydrophobicContact CG2-CE1 3.72Å; T183-F248 HydrophobicContact CG2-CZ 4.45Å
184	R	98.1	Very high	85.6	Confident	3 Å²	3	44.9 Å²	44.9	1%	0.011	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.9	-178.1	-57.5	-61.2	-167.5	-165.2	-6.8	111.7	F166 F167 E169 E173 A209	F166-R184 WeakPolarHBondContact CA-O 3.37Å; F167-R184 HydrophobicContact CD1-CB 4.3Å; F167-R184 HydrophobicContact CD2-CB 4.09Å; F167-R184 HydrophobicContact CD2-CG 4.34Å; F167-R184 HydrophobicContact CE1-CB 3.93Å; F167-R184 HydrophobicContact CE2-CB 3.72Å; F167-R184 HydrophobicContact CE2-CG 3.82Å; F167-R184 HydrophobicContact CG-CB 4.37Å; F167-R184 HydrophobicContact CZ-CB 3.63Å; F167-R184 HydrophobicContact CZ-CG 4.1Å; F167-R184 PolarHBondContact N-O 3.31Å; F167-R184 VanDerWaalsContact N-O 3.11Å; F167-R184 PolarHBondContact O-N 3.1Å; E169-R184 HydrophobicContact CG-CG 3.84Å; E169-R184 VanDerWaalsContact OE1-CG 3.28Å; E169-R184 WeakPolarHBondContact OE1-CG 3.3Å; E169-R184 IonicContact OE1-CZ 2.84Å; E169-R184 IonicContact OE1-NE 2.96Å; E169-R184 PolarHBondContact OE1-NE 3.07Å; E169-R184 IonicContact OE1-NH2 3.3Å; E173-R184 IonicContact OE1-CZ 2.85Å; E173-R184 IonicContact OE1-NH1 3.77Å; E173-R184 PolarHBondContact OE1-NH1 3.42Å; E173-R184 IonicContact OE1-NH2 2.63Å; E173-R184 PolarHBondContact OE1-NH2 3.44Å; E173-R184 IonicContact OE2-NH2 3.63Å; E173-R184 PolarHBondContact OE2-NH2 3.09Å; R184-A209 VanDerWaalsContact CA-O 3.29Å; R184-A209 WeakPolarHBondContact CA-O 3.46Å
185	V	98.8	Very high	87.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.2	155.3	57.6	0	0	0	0	107.7	Y164 F165 F166 K208 A209 I268 F272 V337	Y164-V185 HydrophobicContact CD1-CG2 3.92Å; F165-V185 CarbonylContact O-C 3.54Å; F165-V185 WeakPolarHBondContact O-CA 3.36Å; F166-V185 HydrophobicContact CD1-CB 4.09Å; F166-V185 HydrophobicContact CD1-CG2 4.09Å; F166-V185 HydrophobicContact CE1-CB 3.97Å; F166-V185 HydrophobicContact CE1-CG2 3.65Å; F166-V185 HydrophobicContact CZ-CG2 3.96Å; V185-K208 CarbonylContact O-C 3.53Å; V185-K208 VanDerWaalsContact O-CA 3.27Å; V185-K208 WeakPolarHBondContact O-CA 3.43Å; V185-A209 HydrophobicContact CG1-CB 4.29Å; V185-A209 PolarHBondContact N-O 2.8Å; V185-A209 PolarHBondContact O-N 3.09Å; V185-I268 HydrophobicContact CG1-CG2 4.27Å; V185-I268 HydrophobicContact CG2-CG2 4.36Å; V185-F272 HydrophobicContact CG1-CE2 4.27Å; V185-F272 HydrophobicContact CG1-CZ 4.1Å; V185-F272 HydrophobicContact CG2-CE2 4.4Å; V185-F272 HydrophobicContact CG2-CZ 4.36Å; V185-F272 WeakPolarHBondContact O-CZ 3.22Å; V185-V337 HydrophobicContact CG1-CG2 4.21Å
186	G	98.4	Very high	88.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	156.1	172.1	0	0	0	0	0	110.7	Y164 F165 I207	Y164-G186 CarbonylContact C-O 3.53Å; Y164-G186 VanDerWaalsContact CA-O 3.28Å; Y164-G186 WeakPolarHBondContact CA-O 3.4Å; F165-G186 PolarHBondContact N-O 3.41Å; F165-G186 PolarHBondContact O-N 3.41Å; G186-I207 CarbonylContact C-O 3.57Å; G186-I207 VanDerWaalsContact CA-O 3.29Å; G186-I207 WeakPolarHBondContact CA-O 2.97Å
187	R	98.1	Very high	90.8	Very high	9 Å²	9	47.6 Å²	47.6	3%	0.034	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.3	173.7	72.1	-177.1	-170.3	171.2	1.4	113	D154 K162 V163 Y164 F206 I207 F272	D154-R187 IonicContact OD2-NH1 3.65Å; D154-R187 PolarHBondContact OD2-NH1 3.42Å; K162-R187 HydrophobicContact CD-CG 4.4Å; V163-R187 CarbonylContact O-C 3.56Å; V163-R187 WeakPolarHBondContact O-CA 3.46Å; Y164-R187 HydrophobicContact CD1-CB 3.79Å; Y164-R187 HydrophobicContact CE1-CB 3.8Å; Y164-R187 HydrophobicContact CE1-CG 4.38Å; Y164-R187 HydrophobicContact CG-CB 4.28Å; Y164-R187 PolarHBondContact OH-NH1 3.32Å; R187-F206 WeakPolarHBondContact O-CA 3.28Å; R187-I207 HydrophobicContact CG-CG1 3.94Å; R187-I207 PolarHBondContact N-O 3.2Å; R187-I207 PolarHBondContact O-N 3.46Å; R187-F272 HydrophobicContact CB-CE2 4.49Å; R187-F272 HydrophobicContact CB-CZ 4.32Å; R187-F272 HydrophobicContact CG-CD1 4.43Å; R187-F272 HydrophobicContact CG-CD2 4.45Å; R187-F272 HydrophobicContact CG-CE1 4.11Å; R187-F272 HydrophobicContact CG-CE2 4.14Å; R187-F272 HydrophobicContact CG-CZ 3.95Å; R187-F272 VanDerWaalsContact CZ-CB 3.44Å
188	V	98.3	Very high	92.5	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152	170.8	-60.5	0	0	0	0	110.2	Y108 K162 V163 F165 W203 F206	Y108-V188 HydrophobicContact CD1-CG2 4.49Å; Y108-V188 HydrophobicContact CE1-CG2 4.44Å; K162-V188 CarbonylContact C-O 3.54Å; K162-V188 VanDerWaalsContact CA-O 3.23Å; K162-V188 WeakPolarHBondContact CA-O 3.32Å; K162-V188 WeakPolarHBondContact CB-O 3.49Å; V163-V188 HydrophobicContact CB-CG2 3.96Å; V163-V188 PolarHBondContact N-O 2.68Å; V163-V188 PolarHBondContact O-N 3.07Å; F165-V188 HydrophobicContact CE2-CG2 4.05Å; V188-W203 HydrophobicContact CB-CD2 4.38Å; V188-W203 HydrophobicContact CB-CE3 4.04Å; V188-W203 HydrophobicContact CB-CZ3 4.26Å; V188-W203 HydrophobicContact CG1-CB 4.45Å; V188-W203 HydrophobicContact CG1-CD2 3.97Å; V188-W203 HydrophobicContact CG1-CE3 4.11Å; V188-W203 HydrophobicContact CG1-CG 4.12Å; V188-W203 HydrophobicContact CG2-CE3 4.38Å; V188-W203 HydrophobicContact CG2-CH2 4.28Å; V188-W203 HydrophobicContact CG2-CZ3 4.17Å; V188-F206 HydrophobicContact CG1-CB 3.92Å; V188-F206 HydrophobicContact CG1-CD2 3.7Å; V188-F206 HydrophobicContact CG1-CG 4.3Å
189	C	97.6	Very high	94.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.3	171.4	-67	0	0	0	0	111.3	N191 D192 T205 C301	C189-N191 VanDerWaalsContact C-N 3.26Å; C189-N191 PolarHBondContact O-N 3.2Å; C189-D192 HydrophobicContact CB-CB 4.21Å; C189-D192 VanDerWaalsContact O-CB 3.29Å; C189-D192 WeakPolarHBondContact O-CB 3.41Å; C189-D192 PolarHBondContact O-N 3.48Å; C189-T205 HydrophobicContact CB-CG2 3.99Å; C189-T205 PolarHBondContact N-OG1 3.05Å; C189-C301 HydrophobicContact CB-CB 3.71Å; C189-C301 WeakPolarHBondContact CB-SG 3.07Å; C189-C301 WeakPolarHBondContact SG-CA 3.46Å; C189-C301 WeakPolarHBondContact SG-CB 3.27Å; C189-C301 PolarHBondContact SG-N 2.9Å; C189-C301 CovalentContact SG-SG 2.03Å; C189-C301 PolarHBondContact SG-SG 3.36Å
190	V	96.9	Very high	95.8	Very high	19 Å²	19	28.6 Å²	28.6	12%	0.115	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.4	179.1	170.6	0	0	0	0	111.3	Y108 R124 R129 D161 V163 D192	Y108-V190 PolarHBondContact OH-O 2.99Å; Y108-V190 VanDerWaalsContact OH-O 3.12Å; R124-V190 PolarHBondContact NH1-O 2.95Å; R129-V190 PolarHBondContact NH1-O 3.43Å; D161-V190 HydrophobicContact CB-CB 4.26Å; D161-V190 HydrophobicContact CB-CG2 3.92Å; D161-V190 WeakPolarHBondContact O-CB 3.48Å; D161-V190 WeakPolarHBondContact O-CG2 3.15Å; D161-V190 PolarHBondContact O-N 3.22Å; V163-V190 HydrophobicContact CG2-CG2 3.8Å; V190-D192 VanDerWaalsContact C-N 3.33Å; V190-D192 PolarHBondContact O-N 2.91Å
191	N	95.6	Very high	96.2	Very high	28 Å²	28	30.7 Å²	30.7	15%	0.15	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	9.8	179.6	67.3	-6.2	0	0	0	114.5	D159 C189 V193 P302	D159-N191 PolarHBondContact O-ND2 3.04Å; D159-N191 PolarHBondContact O-OD1 3.27Å; C189-N191 VanDerWaalsContact C-N 3.26Å; C189-N191 PolarHBondContact O-N 3.2Å; N191-V193 PolarHBondContact O-N 3.3Å; N191-P302 PolarHBondContact ND2-O 3.3Å; N191-P302 WeakPolarHBondContact OD1-CD 3.32Å
192	D	97.1	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.			trans	-65.7	131	176.6	-169.1	-15.8	0	0	0	110.9	R124 C189 V190 G194 W203 S204 T205 T316	R124-D192 VanDerWaalsContact CZ-O 3.31Å; R124-D192 PolarHBondContact NH1-O 3.16Å; R124-D192 PolarHBondContact NH2-O 2.94Å; C189-D192 HydrophobicContact CB-CB 4.21Å; C189-D192 VanDerWaalsContact O-CB 3.29Å; C189-D192 WeakPolarHBondContact O-CB 3.41Å; C189-D192 PolarHBondContact O-N 3.48Å; V190-D192 VanDerWaalsContact C-N 3.33Å; V190-D192 PolarHBondContact O-N 2.91Å; D192-G194 PolarHBondContact OD1-N 3.5Å; D192-W203 HydrophobicContact CB-CE3 3.97Å; D192-W203 HydrophobicContact CB-CZ3 4Å; D192-S204 PolarHBondContact OD1-N 3.38Å; D192-S204 PolarHBondContact OD1-OG 2.89Å; D192-S204 PolarHBondContact OD2-N 3.34Å; D192-S204 PolarHBondContact OD2-OG 2.96Å; D192-T205 HydrophobicContact CB-CG2 4.34Å; D192-T205 WeakPolarHBondContact OD2-CB 3.11Å; D192-T205 WeakPolarHBondContact OD2-CG2 3.21Å; D192-T205 PolarHBondContact OD2-N 2.88Å; D192-T205 PolarHBondContact OD2-OG1 2.04Å; D192-T316 HydrophobicContact CB-CG2 4.32Å; D192-T316 PolarHBondContact OD1-OG1 3.47Å
193	V	96.3	Very high	96.6	Very high	27 Å²	27	31.1 Å²	31.1	16%	0.164	15%	0.15	C	C	.	.			trans	-127.2	15.5	177.9	-65.2	0	0	0	0	112.1	N191 S315 T316 K317	N191-V193 PolarHBondContact O-N 3.3Å; V193-S315 WeakPolarHBondContact CG2-OG 3.3Å; V193-T316 VanDerWaalsContact CG2-OG1 3.31Å; V193-T316 WeakPolarHBondContact CG2-OG1 3.23Å; V193-T316 PolarHBondContact N-OG1 3.31Å; V193-T316 VanDerWaalsContact N-OG1 3.08Å; V193-K317 HydrophobicContact CG2-CD 4.42Å; V193-K317 HydrophobicContact CG2-CG 4.1Å
194	G	96.6	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	76.1	-178	-175.2	0	0	0	0	0	112.3	D192 L199 K202 T316 K317	D192-G194 PolarHBondContact OD1-N 3.5Å; G194-L199 WeakPolarHBondContact CA-O 3.43Å; G194-K202 VanDerWaalsContact CA-O 3.27Å; G194-K202 WeakPolarHBondContact CA-O 3.19Å; G194-T316 PolarHBondContact N-OG1 2.99Å; G194-T316 CarbonylContact O-C 3.04Å; G194-T316 WeakPolarHBondContact O-CB 3.38Å; G194-T316 PolarHBondContact O-OG1 3.43Å; G194-K317 PolarHBondContact O-N 3.26Å
195	G	95.9	Very high	96.5	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.021	15%	0.151	C	C	.	.			trans	-89.9	167.8	175.8	0	0	0	0	0	113	V198 L199	G195-V198 CarbonylContact C-O 3.55Å; G195-V198 WeakPolarHBondContact CA-O 3.18Å; G195-V198 PolarHBondContact N-O 2.96Å; G195-L199 PolarHBondContact N-O 2.66Å; G195-L199 VanDerWaalsContact N-O 3.13Å
196	Q	94.7	Very high	96.5	Very high	120 Å²	120	31.5 Å²	31.5	56%	0.561	15%	0.152	S	C	*	.	S	Bend	trans	-73.9	-34.6	179.5	-177.8	61.4	26.8	0	0	112.8	K317	Q196-K317 HydrophobicContact CB-CB 4.3Å; Q196-K317 WeakPolarHBondContact CB-O 3.23Å
197	R	93.9	Very high	96.5	Very high	194 Å²	194	31.6 Å²	31.6	73%	0.732	15%	0.152	S	C	*	.	S	Bend	trans	-128.8	-47.7	-177.4	-61.5	178.4	-176.5	147	-1.7	112.4	V200 D321	R197-V200 WeakPolarHBondContact O-CG2 3.42Å; R197-D321 IonicContact NH1-OD2 3.43Å; R197-D321 PolarHBondContact NH1-OD2 3.24Å
198	V	94.8	Very high	96.5	Very high	30 Å²	30	31.5 Å²	31.5	18%	0.182	15%	0.152	C	C	.	.	S	Bend	trans	-89.7	140.6	172.6	-178.4	0	0	0	0	108.4	G195 V200 D321 L324	G195-V198 CarbonylContact C-O 3.55Å; G195-V198 WeakPolarHBondContact CA-O 3.18Å; G195-V198 PolarHBondContact N-O 2.96Å; V198-V200 VanDerWaalsContact C-N 3.34Å; V198-V200 PolarHBondContact O-N 2.98Å; V198-D321 HydrophobicContact CG2-CB 4.22Å; V198-L324 HydrophobicContact CB-CB 3.92Å; V198-L324 HydrophobicContact CB-CD1 4.1Å; V198-L324 HydrophobicContact CG1-CB 3.82Å
199	L	95.3	Very high	96.5	Very high	17 Å²	17	31.5 Å²	31.5	9%	0.089	15%	0.152	C	C	.	.	S	Bend	trans	56.8	40.5	179.2	-62.1	168.7	0	0	0	114.2	E135 G194 G195 N201 K202 L324 R328	E135-L199 HydrophobicContact CG-CD2 4.21Å; E135-L199 VanDerWaalsContact OE2-CD2 3.23Å; E135-L199 WeakPolarHBondContact OE2-CD2 3.33Å; G194-L199 WeakPolarHBondContact CA-O 3.43Å; G195-L199 PolarHBondContact N-O 2.66Å; G195-L199 VanDerWaalsContact N-O 3.13Å; L199-N201 PolarHBondContact O-N 3.08Å; L199-K202 HydrophobicContact CB-CB 4Å; L199-K202 HydrophobicContact CD2-CB 3.85Å; L199-K202 PolarHBondContact O-N 3.22Å; L199-K202 VanDerWaalsContact O-N 3.09Å; L199-K202 VanDerWaalsContact O-O 3.07Å; L199-L324 HydrophobicContact CD1-CB 4.42Å; L199-R328 HydrophobicContact CD1-CB 4.3Å; L199-R328 HydrophobicContact CD2-CG 4.28Å
200	V	95.9	Very high	96.5	Very high	75 Å²	75	34.2 Å²	34.2	46%	0.455	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-63.9	123.8	174.8	-178.7	0	0	0	0	109.9	R197 V198 K202	R197-V200 WeakPolarHBondContact O-CG2 3.42Å; V198-V200 VanDerWaalsContact C-N 3.34Å; V198-V200 PolarHBondContact O-N 2.98Å; V200-K202 PolarHBondContact O-N 3.13Å
201	N	94.4	Very high	96.6	Very high	70 Å²	70	33.4 Å²	33.4	37%	0.374	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	24.8	-173.3	-56.1	-46.4	0	0	0	114	T130 L199	T130-N201 PolarHBondContact OG1-OD1 3.47Å; L199-N201 PolarHBondContact O-N 3.08Å
202	K	96.9	Very high	96.7	Very high	48 Å²	48	32.5 Å²	32.5	21%	0.209	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-123.8	147.1	175.8	-59.2	-64	-170.5	171.6	0	109.7	M132 R133 T134 E135 G194 L199 V200 S204	M132-K202 WeakPolarHBondContact CE-O 3.43Å; R133-K202 HydrophobicContact CG-CD 3.94Å; R133-K202 VanDerWaalsContact O-CA 3.28Å; R133-K202 WeakPolarHBondContact O-CA 3.44Å; R133-K202 VanDerWaalsContact O-CD 3.22Å; R133-K202 WeakPolarHBondContact O-CD 3.4Å; T134-K202 PolarHBondContact O-NZ 3.47Å; E135-K202 HydrophobicContact CG-CB 4.29Å; E135-K202 HydrophobicContact CG-CD 3.89Å; E135-K202 HydrophobicContact CG-CG 3.87Å; G194-K202 VanDerWaalsContact CA-O 3.27Å; G194-K202 WeakPolarHBondContact CA-O 3.19Å; L199-K202 HydrophobicContact CB-CB 4Å; L199-K202 HydrophobicContact CD2-CB 3.85Å; L199-K202 PolarHBondContact O-N 3.22Å; L199-K202 VanDerWaalsContact O-N 3.09Å; L199-K202 VanDerWaalsContact O-O 3.07Å; V200-K202 PolarHBondContact O-N 3.13Å; K202-S204 PolarHBondContact O-N 3.29Å; K202-S204 VanDerWaalsContact O-N 3.14Å
203	W	97.6	Very high	96.7	Very high	10 Å²	10	32.5 Å²	32.5	4%	0.038	15%	0.153	C	C	.	.			trans	-56	121.9	179.4	-62.3	115.4	0	0	0	110.9	Y108 I122 R124 M132 R133 V188 D192 F206	Y108-W203 HydrophobicContact CD1-CH2 4.09Å; Y108-W203 HydrophobicContact CD1-CZ2 4.45Å; Y108-W203 AromaticContact CE1-CH2 3.69Å; Y108-W203 HydrophobicContact CE1-CH2 3.69Å; Y108-W203 HydrophobicContact CE1-CZ2 4.47Å; Y108-W203 HydrophobicContact CE1-CZ3 4.44Å; I122-W203 PolarHBondContact O-NE1 3.26Å; R124-W203 HydrophobicContact CB-CH2 3.48Å; R124-W203 VanDerWaalsContact CB-CH2 3.48Å; R124-W203 HydrophobicContact CB-CZ2 3.54Å; R124-W203 HydrophobicContact CG-CH2 4.34Å; M132-W203 HydrophobicContact CB-CD2 4.11Å; M132-W203 HydrophobicContact CB-CE3 4.17Å; M132-W203 HydrophobicContact CB-CH2 3.74Å; M132-W203 HydrophobicContact CB-CZ2 3.66Å; M132-W203 HydrophobicContact CB-CZ3 4Å; M132-W203 HydrophobicContact CE-CD2 4.48Å; M132-W203 HydrophobicContact CE-CE3 4.12Å; M132-W203 HydrophobicContact CG-CH2 4.35Å; M132-W203 HydrophobicContact CG-CZ3 4.28Å; R133-W203 PolarHBondContact O-N 2.66Å; V188-W203 HydrophobicContact CB-CD2 4.38Å; V188-W203 HydrophobicContact CB-CE3 4.04Å; V188-W203 HydrophobicContact CB-CZ3 4.26Å; V188-W203 HydrophobicContact CG1-CB 4.45Å; V188-W203 HydrophobicContact CG1-CD2 3.97Å; V188-W203 HydrophobicContact CG1-CE3 4.11Å; V188-W203 HydrophobicContact CG1-CG 4.12Å; V188-W203 HydrophobicContact CG2-CE3 4.38Å; V188-W203 HydrophobicContact CG2-CH2 4.28Å; V188-W203 HydrophobicContact CG2-CZ3 4.17Å; D192-W203 HydrophobicContact CB-CE3 3.97Å; D192-W203 HydrophobicContact CB-CZ3 4Å; W203-F206 HydrophobicContact CB-CB 3.87Å
204	S	96.8	Very high	96.6	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.028	15%	0.148	C	C	.	.	S	Bend	trans	-94.7	-16.2	177.5	65.5	0	0	0	0	112.5	D192 K202 T316	D192-S204 PolarHBondContact OD1-N 3.38Å; D192-S204 PolarHBondContact OD1-OG 2.89Å; D192-S204 PolarHBondContact OD2-N 3.34Å; D192-S204 PolarHBondContact OD2-OG 2.96Å; K202-S204 PolarHBondContact O-N 3.29Å; K202-S204 VanDerWaalsContact O-N 3.14Å; S204-T316 VanDerWaalsContact OG-CB 3.32Å; S204-T316 WeakPolarHBondContact OG-CB 3.13Å; S204-T316 WeakPolarHBondContact OG-CG2 3.33Å
205	T	97.8	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-111.4	2.6	-174.6	60.8	0	0	0	0	114	C189 D192 I207 G299 V300 T316 F319	C189-T205 HydrophobicContact CB-CG2 3.99Å; C189-T205 PolarHBondContact N-OG1 3.05Å; D192-T205 HydrophobicContact CB-CG2 4.34Å; D192-T205 WeakPolarHBondContact OD2-CB 3.11Å; D192-T205 WeakPolarHBondContact OD2-CG2 3.21Å; D192-T205 PolarHBondContact OD2-N 2.88Å; D192-T205 PolarHBondContact OD2-OG1 2.04Å; T205-I207 PolarHBondContact O-N 3.21Å; T205-G299 WeakPolarHBondContact O-CA 3.45Å; T205-V300 WeakPolarHBondContact CG2-O 3.48Å; T205-T316 HydrophobicContact CG2-CG2 4.06Å; T205-F319 HydrophobicContact CG2-CE2 4.46Å
206	F	98.3	Very high	95.9	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.031	18%	0.184	C	C	.	.			trans	-68.4	122.2	-177.5	-180	-104.1	0	0	0	112.2	I122 L140 L141 F167 R187 V188 W203 K208	I122-F206 HydrophobicContact CD1-CD2 4.1Å; I122-F206 HydrophobicContact CD1-CE2 3.36Å; I122-F206 HydrophobicContact CD1-CZ 3.86Å; L140-F206 HydrophobicContact CD2-CD1 4.35Å; L140-F206 HydrophobicContact CG-CD1 4.35Å; L141-F206 HydrophobicContact CD2-CZ 4.33Å; F167-F206 HydrophobicContact CZ-CZ 4.48Å; R187-F206 WeakPolarHBondContact O-CA 3.28Å; V188-F206 HydrophobicContact CG1-CB 3.92Å; V188-F206 HydrophobicContact CG1-CD2 3.7Å; V188-F206 HydrophobicContact CG1-CG 4.3Å; W203-F206 HydrophobicContact CB-CB 3.87Å; F206-K208 HydrophobicContact CE1-CD 4.49Å; F206-K208 HydrophobicContact CZ-CB 4.27Å
207	I	98.1	Very high	95.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.5	170.9	59.6	173.9	0	0	0	110	G186 R187 T205 F272 F276 P331 M333	G186-I207 CarbonylContact C-O 3.57Å; G186-I207 VanDerWaalsContact CA-O 3.29Å; G186-I207 WeakPolarHBondContact CA-O 2.97Å; R187-I207 HydrophobicContact CG-CG1 3.94Å; R187-I207 PolarHBondContact N-O 3.2Å; R187-I207 PolarHBondContact O-N 3.46Å; T205-I207 PolarHBondContact O-N 3.21Å; I207-F272 HydrophobicContact CD1-CB 4.14Å; I207-F272 HydrophobicContact CD1-CD1 3.46Å; I207-F272 VanDerWaalsContact CD1-CD1 3.46Å; I207-F272 HydrophobicContact CD1-CE1 4.18Å; I207-F272 HydrophobicContact CD1-CG 4.12Å; I207-F272 HydrophobicContact CG1-CD1 3.66Å; I207-F272 HydrophobicContact CG1-CE1 3.84Å; I207-F276 HydrophobicContact CG2-CE1 3.82Å; I207-F276 HydrophobicContact CG2-CZ 4.3Å; I207-P331 CarbonylContact C-O 3.57Å; I207-P331 VanDerWaalsContact CA-O 3.3Å; I207-P331 WeakPolarHBondContact CA-O 3.35Å; I207-M333 HydrophobicContact CB-SD 4.34Å; I207-M333 HydrophobicContact CD1-SD 4.08Å
208	K	98.3	Very high	94.5	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.6	-178.8	67.9	-178.3	178.5	-175.2	0	112.8	K139 L140 F167 E169 V185 F206 P331 L332 M333	K139-K208 PolarHBondContact O-NZ 3.21Å; K139-K208 VanDerWaalsContact O-NZ 3.15Å; L140-K208 WeakPolarHBondContact O-CE 3.1Å; L140-K208 PolarHBondContact O-NZ 3.3Å; F167-K208 HydrophobicContact CZ-CD 4.18Å; E169-K208 WeakPolarHBondContact OE1-CD 3.23Å; E169-K208 VanDerWaalsContact OE1-CE 3.23Å; E169-K208 WeakPolarHBondContact OE1-CE 3.49Å; E169-K208 IonicContact OE1-NZ 3.42Å; E169-K208 PolarHBondContact OE1-NZ 3.29Å; E169-K208 IonicContact OE2-NZ 3.5Å; E169-K208 PolarHBondContact OE2-NZ 3.12Å; V185-K208 CarbonylContact O-C 3.53Å; V185-K208 VanDerWaalsContact O-CA 3.27Å; V185-K208 WeakPolarHBondContact O-CA 3.43Å; F206-K208 HydrophobicContact CE1-CD 4.49Å; F206-K208 HydrophobicContact CZ-CB 4.27Å; K208-P331 PolarHBondContact N-O 3.18Å; K208-L332 HydrophobicContact CG-CD1 4.09Å; K208-L332 CarbonylContact O-C 3.56Å; K208-L332 WeakPolarHBondContact O-CA 3.31Å; K208-M333 WeakPolarHBondContact O-CG 2.98Å; K208-M333 PolarHBondContact O-N 2.59Å
209	A	98.3	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.2	175.6	0	0	0	0	0	110.7	R184 V185 A271 F272 M333 V337	R184-A209 VanDerWaalsContact CA-O 3.29Å; R184-A209 WeakPolarHBondContact CA-O 3.46Å; V185-A209 HydrophobicContact CG1-CB 4.29Å; V185-A209 PolarHBondContact N-O 2.8Å; V185-A209 PolarHBondContact O-N 3.09Å; A209-A271 HydrophobicContact CB-CB 4.3Å; A209-F272 HydrophobicContact CB-CE1 4.12Å; A209-F272 HydrophobicContact CB-CZ 4.39Å; A209-M333 HydrophobicContact CB-CB 3.95Å; A209-M333 HydrophobicContact CB-CG 4.05Å; A209-V337 HydrophobicContact CB-CG2 4.27Å
210	R	97.6	Very high	92.9	Very high	59 Å²	59	38.6 Å²	38.6	22%	0.223	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.3	173.3	-172.9	176.5	175.2	-171.9	-4.9	109.9	H182 V212 P336 V337	H182-R210 HydrophobicContact CB-CG 4.49Å; H182-R210 PolarHBondContact CE1-NH2 3.03Å; R210-V212 HydrophobicContact CG-CG2 3.97Å; R210-P336 HydrophobicContact CB-CB 4.22Å; R210-P336 CarbonylContact O-C 3.52Å; R210-P336 WeakPolarHBondContact O-CA 3.48Å; R210-V337 PolarHBondContact O-N 3.42Å
211	L	97.9	Very high	92.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.2	171.2	-165	66.4	0	0	0	108.1	F166 T183 F248 Y263 V337	F166-L211 HydrophobicContact CD1-CD2 4.26Å; T183-L211 HydrophobicContact CG2-CB 3.99Å; T183-L211 HydrophobicContact CG2-CD2 4.07Å; T183-L211 PolarHBondContact O-N 3.05Å; L211-F248 HydrophobicContact CD2-CE1 4.45Å; L211-F248 HydrophobicContact CD2-CZ 3.88Å; L211-F248 HydrophobicContact CG-CZ 4.22Å; L211-Y263 HydrophobicContact CD1-CD1 3.45Å; L211-Y263 VanDerWaalsContact CD1-CD1 3.45Å; L211-Y263 HydrophobicContact CD1-CD2 3.96Å; L211-Y263 HydrophobicContact CD1-CE1 3.38Å; L211-Y263 HydrophobicContact CD1-CE2 3.91Å; L211-Y263 HydrophobicContact CD1-CG 3.74Å; L211-Y263 HydrophobicContact CD2-CD2 4.25Å; L211-Y263 HydrophobicContact CD2-CE2 3.84Å; L211-Y263 HydrophobicContact CG-CD1 4.31Å; L211-Y263 HydrophobicContact CG-CD2 4.35Å; L211-Y263 HydrophobicContact CG-CE1 3.79Å; L211-Y263 HydrophobicContact CG-CE2 3.84Å; L211-V337 HydrophobicContact CD1-CB 3.71Å; L211-V337 HydrophobicContact CD1-CG1 3.67Å
212	V	97.4	Very high	92.1	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.055	24%	0.237	C	C	.	.			trans	-108.9	126.3	-172.7	175.9	0	0	0	0	110.3	R210 Y263 P336 V337 L338 P339	R210-V212 HydrophobicContact CG-CG2 3.97Å; V212-Y263 VanDerWaalsContact C-OH 3.28Å; V212-Y263 WeakPolarHBondContact O-CE1 3.34Å; V212-Y263 PolarHBondContact O-OH 2.82Å; V212-P336 HydrophobicContact CG2-CB 3.65Å; V212-P336 HydrophobicContact CG2-CG 4.49Å; V212-V337 PolarHBondContact N-O 2.73Å; V212-L338 HydrophobicContact CB-CD2 4.04Å; V212-L338 HydrophobicContact CG1-CD2 4.13Å; V212-P339 WeakPolarHBondContact O-CD 3.25Å
213	C	97.2	Very high	91.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.249	C	C	.	.			trans	-123.1	115.5	165.5	-167.3	0	0	0	0	108.5	F225 F248 C261	C213-F225 HydrophobicContact CB-CB 4.47Å; C213-F225 PolarHBondContact O-N 2.88Å; C213-F248 HydrophobicContact CB-CB 4.27Å; C213-F248 HydrophobicContact CB-CD1 3.96Å; C213-F248 HydrophobicContact CB-CD2 3.53Å; C213-F248 HydrophobicContact CB-CE1 4.13Å; C213-F248 HydrophobicContact CB-CE2 3.76Å; C213-F248 HydrophobicContact CB-CG 3.66Å; C213-F248 HydrophobicContact CB-CZ 4.07Å; C213-C261 WeakPolarHBondContact CA-SG 3.5Å; C213-C261 HydrophobicContact CB-CB 3.86Å; C213-C261 WeakPolarHBondContact CB-SG 3.12Å; C213-C261 WeakPolarHBondContact SG-CB 3.32Å; C213-C261 CovalentContact SG-SG 2.05Å; C213-C261 PolarHBondContact SG-SG 2.72Å
214	S	94.8	Very high	91.6	Very high	8 Å²	8	45.3 Å²	45.3	6%	0.056	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	150.2	-178.6	51.7	0	0	0	0	112.8	T223 H224 P344	S214-T223 CarbonylContact C-O 3.55Å; S214-T223 WeakPolarHBondContact CA-O 3.45Å; S214-T223 VanDerWaalsContact CB-O 3.28Å; S214-T223 WeakPolarHBondContact CB-O 3.32Å; S214-H224 WeakPolarHBondContact CB-ND1 3.14Å; S214-P344 WeakPolarHBondContact O-CD 3.26Å
215	V	91.5	Very high	91.5	Very high	47 Å²	47	45.5 Å²	45.5	29%	0.285	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.3	170.6	176.3	0	0	0	0	108.1	G217 D222 T223 F225 P344 V347	V215-G217 PolarHBondContact O-N 2.8Å; V215-D222 WeakPolarHBondContact O-CA 3.35Å; V215-T223 PolarHBondContact N-O 2.95Å; V215-T223 PolarHBondContact O-N 3.12Å; V215-F225 HydrophobicContact CG2-CE2 3.89Å; V215-F225 HydrophobicContact CG2-CZ 4.48Å; V215-P344 HydrophobicContact CG2-CG 3.77Å; V215-V347 HydrophobicContact CG2-CG2 3.73Å
216	P	86.6	Confident	91.3	Very high	77 Å²	77	46.7 Å²	46.7	50%	0.5	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-65.8	124.5	176.1	26.9	-32.6	0	0	0	110	D222	P216-D222 WeakPolarHBondContact CA-OD1 3.47Å
217	G	82.1	Confident	91.2	Very high	19 Å²	19	48 Å²	48	20%	0.196	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-93.9	166.8	-179.6	0	0	0	0	0	113.6	V215 H219 G220 I221	V215-G217 PolarHBondContact O-N 2.8Å; G217-H219 PolarHBondContact O-N 2.79Å; G217-G220 PolarHBondContact O-N 2.89Å; G217-G220 VanDerWaalsContact O-N 3.13Å; G217-I221 WeakPolarHBondContact CA-O 3.46Å; G217-I221 PolarHBondContact N-O 3.35Å; G217-I221 VanDerWaalsContact N-O 3.13Å
218	P	76.6	Confident	91.2	Very high	111 Å²	111	47.9 Å²	47.9	72%	0.721	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-54.6	138.3	169.2	-20	31.4	0	0	0	110.1	G220	P218-G220 VanDerWaalsContact C-N 3.27Å; P218-G220 PolarHBondContact O-N 2.71Å
219	H	77.6	Confident	91.2	Very high	192 Å²	192	48.6 Å²	48.6	89%	0.889	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	67.6	16.4	-176.7	-45.2	-74.4	0	0	0	115.9	G217	G217-H219 PolarHBondContact O-N 2.79Å
220	G	78.5	Confident	91.2	Very high	64 Å²	64	49.5 Å²	49.5	66%	0.66	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	78.4	16.7	172.6	0	0	0	0	0	114.7	G217 P218	G217-G220 PolarHBondContact O-N 2.89Å; G217-G220 VanDerWaalsContact O-N 3.13Å; P218-G220 VanDerWaalsContact C-N 3.27Å; P218-G220 PolarHBondContact O-N 2.71Å
221	I	84.3	Confident	91.2	Very high	132 Å²	132	47.2 Å²	47.2	68%	0.677	28%	0.276	S	S	*	.			trans	-93.2	107.4	172.2	-58.4	176.8	0	0	0	108.4	G217	G217-I221 WeakPolarHBondContact CA-O 3.46Å; G217-I221 PolarHBondContact N-O 3.35Å; G217-I221 VanDerWaalsContact N-O 3.13Å
222	D	89.4	Confident	91.3	Very high	66 Å²	66	49.1 Å²	49.1	35%	0.353	28%	0.284	S	S	.	.			trans	-75	137.7	-179.9	-71	2.6	0	0	0	111.9	V215 P216	V215-D222 WeakPolarHBondContact O-CA 3.35Å; P216-D222 WeakPolarHBondContact CA-OD1 3.47Å
223	T	91	Very high	91.3	Very high	76 Å²	76	50 Å²	50	47%	0.466	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110	169	-61.3	0	0	0	0	109	S214 V215 F225	S214-T223 CarbonylContact C-O 3.55Å; S214-T223 WeakPolarHBondContact CA-O 3.45Å; S214-T223 VanDerWaalsContact CB-O 3.28Å; S214-T223 WeakPolarHBondContact CB-O 3.32Å; V215-T223 PolarHBondContact N-O 2.95Å; V215-T223 PolarHBondContact O-N 3.12Å; T223-F225 HydrophobicContact CG2-CE2 4.36Å
224	H	92.6	Very high	91.3	Very high	70 Å²	70	50.6 Å²	50.6	32%	0.324	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	136.4	-176.8	-66.6	-78.2	0	0	0	113.4	S214	S214-H224 WeakPolarHBondContact CB-ND1 3.14Å
225	F	95.6	Very high	91.3	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.035	32%	0.318	C	S	.	.			trans	-105.8	94.9	169.3	-57	-101.1	0	0	0	107.4	C213 V215 T223 F248 S249 T250 A259 V347	C213-F225 HydrophobicContact CB-CB 4.47Å; C213-F225 PolarHBondContact O-N 2.88Å; V215-F225 HydrophobicContact CG2-CE2 3.89Å; V215-F225 HydrophobicContact CG2-CZ 4.48Å; T223-F225 HydrophobicContact CG2-CE2 4.36Å; F225-F248 HydrophobicContact CB-CB 3.42Å; F225-F248 VanDerWaalsContact CB-CB 3.42Å; F225-F248 HydrophobicContact CB-CG 4.41Å; F225-F248 VanDerWaalsContact O-CD1 3.27Å; F225-F248 WeakPolarHBondContact O-CD1 3.46Å; F225-S249 CarbonylContact C-O 3.58Å; F225-T250 HydrophobicContact CD1-CG2 3.82Å; F225-T250 HydrophobicContact CE1-CG2 3.92Å; F225-A259 HydrophobicContact CB-CB 4.27Å; F225-A259 HydrophobicContact CD1-CB 3.72Å; F225-A259 HydrophobicContact CD2-CB 3.69Å; F225-A259 HydrophobicContact CE1-CB 3.9Å; F225-A259 HydrophobicContact CE2-CB 3.9Å; F225-A259 HydrophobicContact CG-CB 3.62Å; F225-A259 HydrophobicContact CZ-CB 4Å; F225-V347 HydrophobicContact CZ-CG1 4.1Å
226	N	94.3	Very high	91.3	Very high	25 Å²	25	57.7 Å²	57.7	13%	0.134	32%	0.316	C	S	.	.			trans	-97.8	-13.2	-165.3	-79.7	-35	0	0	0	114.1	I181 T183 S249 I251	I181-N226 VanDerWaalsContact O-CB 3.3Å; I181-N226 WeakPolarHBondContact O-CB 3.32Å; T183-N226 PolarHBondContact N-O 2.8Å; T183-N226 PolarHBondContact OG1-O 2.83Å; N226-S249 PolarHBondContact N-O 2.84Å; N226-I251 HydrophobicContact CB-CD1 3.6Å; N226-I251 HydrophobicContact CB-CG1 4.14Å
227	Q	95.7	Very high	91.4	Very high	33 Å²	33	64 Å²	64	15%	0.154	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.3	-177.2	179.6	72.8	51.1	0	0	109.5	R145 F248 S249 I251	R145-Q227 VanDerWaalsContact NH1-NE2 3.14Å; Q227-F248 CarbonylContact O-C 3.53Å; Q227-F248 WeakPolarHBondContact O-CA 3.37Å; Q227-S249 WeakPolarHBondContact CB-O 3.46Å; Q227-S249 VanDerWaalsContact CB-OG 3.31Å; Q227-S249 WeakPolarHBondContact CB-OG 3.38Å; Q227-S249 VanDerWaalsContact CG-OG 3.31Å; Q227-S249 WeakPolarHBondContact CG-OG 3.42Å; Q227-S249 PolarHBondContact N-O 3.48Å; Q227-S249 VanDerWaalsContact N-O 3.13Å; Q227-S249 PolarHBondContact O-N 3.44Å; Q227-I251 HydrophobicContact CB-CG1 4.42Å
228	L	98.1	Very high	91.9	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130.6	177.2	-171.5	65.8	0	0	0	110.6	I147 F166 T168 T183 V231 A246 F248	I147-L228 HydrophobicContact CB-CD2 3.78Å; I147-L228 HydrophobicContact CB-CG 4.25Å; I147-L228 HydrophobicContact CG1-CB 4.16Å; I147-L228 HydrophobicContact CG1-CD2 3.69Å; I147-L228 HydrophobicContact CG1-CG 3.87Å; I147-L228 HydrophobicContact CG2-CD2 4.15Å; I147-L228 HydrophobicContact CG2-CG 4.24Å; F166-L228 HydrophobicContact CB-CD2 3.92Å; T168-L228 VanDerWaalsContact OG1-CB 3.23Å; T168-L228 WeakPolarHBondContact OG1-CB 3.02Å; T168-L228 PolarHBondContact OG1-N 2.97Å; T183-L228 HydrophobicContact CG2-CB 3.76Å; T183-L228 HydrophobicContact CG2-CD1 4.14Å; T183-L228 HydrophobicContact CG2-CD2 3.8Å; T183-L228 HydrophobicContact CG2-CG 4.12Å; L228-V231 HydrophobicContact CD1-CG2 3.8Å; L228-V231 HydrophobicContact CD2-CG2 3.73Å; L228-V231 HydrophobicContact CG-CG2 4.11Å; L228-A246 HydrophobicContact CD1-CB 3.82Å; L228-F248 HydrophobicContact CD1-CD1 4.21Å; L228-F248 HydrophobicContact CD1-CE1 3.86Å; L228-F248 HydrophobicContact CD1-CE2 4.32Å; L228-F248 HydrophobicContact CD1-CZ 3.88Å
229	E	97.5	Very high	92.6	Very high	22 Å²	22	66.4 Å²	66.4	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-44.5	177.2	-63.8	-60.1	161.7	0	0	112.6	R145 I247 S249 F258	R145-E229 IonicContact CZ-OE2 3.33Å; R145-E229 IonicContact NH1-OE1 2.72Å; R145-E229 IonicContact NH1-OE2 3.65Å; R145-E229 PolarHBondContact NH1-OE2 3.08Å; R145-E229 IonicContact NH2-OE2 2.75Å; R145-E229 PolarHBondContact NH2-OE2 2.82Å; E229-I247 HydrophobicContact CB-CB 4.16Å; E229-I247 HydrophobicContact CB-CG2 3.9Å; E229-I247 HydrophobicContact CG-CG2 4.27Å; E229-I247 PolarHBondContact N-O 3.19Å; E229-S249 PolarHBondContact OE1-OG 3.49Å; E229-F258 HydrophobicContact CG-CE1 4.32Å
230	D	98.5	Very high	93.4	Very high	20 Å²	20	60.6 Å²	60.6	11%	0.107	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	158.7	179.4	-163.4	22.7	0	0	0	112.4	A246 I247 Q357 I358	D230-A246 CarbonylContact O-C 3.58Å; D230-A246 VanDerWaalsContact O-CA 3.27Å; D230-A246 WeakPolarHBondContact O-CA 3.48Å; D230-I247 HydrophobicContact CB-CD1 4.38Å; D230-I247 PolarHBondContact O-N 3.08Å; D230-Q357 WeakPolarHBondContact OD2-CA 3.47Å; D230-I358 HydrophobicContact CB-CG2 4.24Å; D230-I358 PolarHBondContact OD2-N 3.01Å
231	V	98.7	Very high	94.2	Very high	11 Å²	11	60.4 Å²	60.4	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	130.7	177.7	179.1	0	0	0	0	110.4	I147 A148 F166 L228 I244 Y245 A246	I147-V231 HydrophobicContact CG2-CG2 4.17Å; A148-V231 HydrophobicContact CB-CB 3.66Å; A148-V231 HydrophobicContact CB-CG1 4.15Å; A148-V231 HydrophobicContact CB-CG2 4.25Å; F166-V231 HydrophobicContact CB-CG2 3.9Å; F166-V231 HydrophobicContact CD1-CG2 4.47Å; F166-V231 HydrophobicContact CD2-CG1 4.3Å; F166-V231 HydrophobicContact CG-CG1 4.28Å; F166-V231 HydrophobicContact CG-CG2 4.18Å; L228-V231 HydrophobicContact CD1-CG2 3.8Å; L228-V231 HydrophobicContact CD2-CG2 3.73Å; L228-V231 HydrophobicContact CG-CG2 4.11Å; V231-I244 HydrophobicContact CG1-CG2 3.59Å; V231-Y245 CarbonylContact C-O 3.47Å; V231-Y245 VanDerWaalsContact CA-O 3.3Å; V231-Y245 WeakPolarHBondContact CA-O 3.04Å; V231-A246 HydrophobicContact CG2-CB 4.04Å
232	F	98.6	Very high	94.8	Very high	41 Å²	41	54.2 Å²	54.2	18%	0.18	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.4	173.7	-176.2	-96.7	0	0	0	111.1	L234 Y245 I358 V359 V360 I418	F232-L234 HydrophobicContact CD1-CB 4.3Å; F232-L234 HydrophobicContact CE1-CB 4.09Å; F232-L234 HydrophobicContact CE1-CD1 4.12Å; F232-Y245 PolarHBondContact N-O 3.22Å; F232-Y245 PolarHBondContact O-N 2.88Å; F232-I358 HydrophobicContact CB-CG2 4.02Å; F232-I358 WeakPolarHBondContact CB-O 3.46Å; F232-V359 HydrophobicContact CD2-CB 4Å; F232-V359 HydrophobicContact CD2-CG1 3.89Å; F232-V359 HydrophobicContact CE2-CB 3.84Å; F232-V359 HydrophobicContact CE2-CG1 3.9Å; F232-V359 HydrophobicContact CZ-CB 4.4Å; F232-V360 HydrophobicContact CD1-CB 3.78Å; F232-V360 HydrophobicContact CD1-CG2 3.91Å; F232-V360 HydrophobicContact CE1-CB 3.79Å; F232-V360 HydrophobicContact CE1-CG2 4.42Å; F232-V360 VanDerWaalsContact CE1-N 3.31Å; F232-V360 WeakPolarHBondContact CE1-O 3.48Å; F232-V360 WeakPolarHBondContact CZ-O 3.38Å; F232-I418 HydrophobicContact CE2-CG2 4.14Å; F232-I418 HydrophobicContact CZ-CG2 4.09Å
233	M	97.8	Very high	95.2	Very high	27 Å²	27	52.4 Å²	52.4	13%	0.133	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	101.9	175.9	-178	-172.9	68.1	0	0	110.1	H150 I152 R235 P242 I244	H150-M233 HydrophobicContact CB-SD 3.89Å; I152-M233 HydrophobicContact CD1-SD 4.04Å; I152-M233 HydrophobicContact CG1-SD 3.99Å; M233-R235 HydrophobicContact CE-CG 4.09Å; M233-R235 PolarHBondContact O-N 2.6Å; M233-P242 HydrophobicContact CG-CB 3.58Å; M233-P242 HydrophobicContact CG-CG 3.98Å; M233-P242 HydrophobicContact SD-CB 4.2Å; M233-P242 HydrophobicContact SD-CG 4.09Å; M233-I244 HydrophobicContact CB-CD1 4.15Å; M233-I244 HydrophobicContact CG-CD1 3.83Å
234	L	97.4	Very high	95.6	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.073	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	107.6	174.2	-178.1	65.8	0	0	0	109.4	F232 T236 P242 D243 Y245 V360 R362	F232-L234 HydrophobicContact CD1-CB 4.3Å; F232-L234 HydrophobicContact CE1-CB 4.09Å; F232-L234 HydrophobicContact CE1-CD1 4.12Å; L234-T236 PolarHBondContact O-N 3.42Å; L234-P242 VanDerWaalsContact O-CA 3.32Å; L234-P242 WeakPolarHBondContact O-CA 3.46Å; L234-P242 WeakPolarHBondContact O-CB 3.01Å; L234-D243 HydrophobicContact CB-CB 4.37Å; L234-D243 PolarHBondContact N-O 3.45Å; L234-D243 PolarHBondContact O-N 3.17Å; L234-Y245 HydrophobicContact CB-CD2 4.16Å; L234-Y245 HydrophobicContact CB-CE2 4.19Å; L234-Y245 HydrophobicContact CD2-CE2 3.82Å; L234-V360 HydrophobicContact CD2-CG1 4.21Å; L234-R362 HydrophobicContact CD2-CB 4.44Å
235	R	94.3	Very high	95.9	Very high	165 Å²	165	46.3 Å²	46.3	62%	0.623	21%	0.212	S	C	*	.			trans	-68.1	127.7	177.4	-66	-176.3	179.7	-123.2	-2.8	110.2	M233 E239	M233-R235 HydrophobicContact CE-CG 4.09Å; M233-R235 PolarHBondContact O-N 2.6Å; R235-E239 IonicContact NH1-OE1 3.96Å
236	T	91.7	Very high	96	Very high	38 Å²	38	45.9 Å²	45.9	23%	0.233	21%	0.21	C	C	.	.			trans	-95.5	-175	171.9	73.5	0	0	0	0	110.4	L234 D238 N241	L234-T236 PolarHBondContact O-N 3.42Å; T236-D238 PolarHBondContact O-N 3Å; T236-D238 PolarHBondContact OG1-N 3.38Å; T236-D238 PolarHBondContact OG1-O 3.02Å; T236-N241 WeakPolarHBondContact CG2-O 3.47Å; T236-N241 PolarHBondContact OG1-O 3.15Å
237	K	90	Very high	96.2	Very high	210 Å²	210	44.7 Å²	44.7	91%	0.913	20%	0.204	S	C	*	.	S	Bend	trans	-62.9	-26.2	173.7	-67	-179.5	-179	174	0	112.5
238	D	92.6	Very high	96.3	Very high	50 Å²	50	43.1 Å²	43.1	27%	0.267	20%	0.196	S	C	.	.	S	Bend	trans	-103.1	109.2	174.4	-178	6.3	0	0	0	108.8	T236 R240 N241	T236-D238 PolarHBondContact O-N 3Å; T236-D238 PolarHBondContact OG1-N 3.38Å; T236-D238 PolarHBondContact OG1-O 3.02Å; D238-R240 PolarHBondContact O-N 3.31Å; D238-R240 WeakPolarHBondContact OD1-CB 3.28Å; D238-R240 IonicContact OD1-CZ 3.62Å; D238-R240 PolarHBondContact OD1-N 3.25Å; D238-R240 VanDerWaalsContact OD1-N 3.14Å; D238-R240 IonicContact OD1-NE 3.41Å; D238-R240 PolarHBondContact OD1-NE 3.17Å; D238-R240 IonicContact OD1-NH2 2.78Å; D238-R240 IonicContact OD2-NE 3.18Å; D238-R240 IonicContact OD2-NH2 3.64Å; D238-N241 HydrophobicContact CB-CB 4.42Å; D238-N241 CarbonylContact O-C 3.49Å; D238-N241 PolarHBondContact O-N 3.01Å; D238-N241 PolarHBondContact OD2-ND2 3.26Å
239	E	90.1	Very high	96.2	Very high	130 Å²	130	43.5 Å²	43.5	61%	0.607	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.3	-179	-61.8	-166.3	142.9	0	0	113.1	R235 N241	R235-E239 IonicContact NH1-OE1 3.96Å; E239-N241 VanDerWaalsContact C-N 3.33Å
240	R	94.1	Very high	96	Very high	71 Å²	71	43.8 Å²	43.8	27%	0.268	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.4	173.4	-59.7	168.6	-64.5	-174.5	9.7	112.1	P153 D156 D238 R269	P153-R240 HydrophobicContact CB-CG 4.12Å; P153-R240 HydrophobicContact CG-CG 3.8Å; D156-R240 IonicContact OD1-CZ 3.58Å; D156-R240 IonicContact OD1-NE 3.71Å; D156-R240 IonicContact OD1-NH1 4Å; D156-R240 PolarHBondContact OD1-NH1 2.04Å; D156-R240 IonicContact OD2-NH1 2.84Å; D156-R240 PolarHBondContact OD2-NH1 3.43Å; D238-R240 PolarHBondContact O-N 3.31Å; D238-R240 WeakPolarHBondContact OD1-CB 3.28Å; D238-R240 IonicContact OD1-CZ 3.62Å; D238-R240 PolarHBondContact OD1-N 3.25Å; D238-R240 VanDerWaalsContact OD1-N 3.14Å; D238-R240 IonicContact OD1-NE 3.41Å; D238-R240 PolarHBondContact OD1-NE 3.17Å; D238-R240 IonicContact OD1-NH2 2.78Å; D238-R240 IonicContact OD2-NE 3.18Å; D238-R240 IonicContact OD2-NH2 3.64Å; R240-R269 VanDerWaalsContact O-CZ 3.25Å; R240-R269 PolarHBondContact O-NH1 3.45Å; R240-R269 PolarHBondContact O-NH2 2.71Å
241	N	95.9	Very high	95.5	Very high	59 Å²	59	46.5 Å²	46.5	32%	0.316	22%	0.216	S	C	.	.	S	Bend	trans	-127.9	62.1	-176.3	-68	-60.8	0	0	0	111.8	T236 D238 E239 R269	T236-N241 WeakPolarHBondContact CG2-O 3.47Å; T236-N241 PolarHBondContact OG1-O 3.15Å; D238-N241 HydrophobicContact CB-CB 4.42Å; D238-N241 CarbonylContact O-C 3.49Å; D238-N241 PolarHBondContact O-N 3.01Å; D238-N241 PolarHBondContact OD2-ND2 3.26Å; E239-N241 VanDerWaalsContact C-N 3.33Å; N241-R269 PolarHBondContact OD1-NH1 3.28Å
242	P	97.3	Very high	94.7	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.019	23%	0.23	C	C	.	.			trans	-67.5	154.7	166.1	30.8	-36	0	0	0	111.4	I152 M233 L234 I244 M265	I152-P242 HydrophobicContact CD1-CG 4.07Å; I152-P242 HydrophobicContact CG2-CG 4.11Å; M233-P242 HydrophobicContact CG-CB 3.58Å; M233-P242 HydrophobicContact CG-CG 3.98Å; M233-P242 HydrophobicContact SD-CB 4.2Å; M233-P242 HydrophobicContact SD-CG 4.09Å; L234-P242 VanDerWaalsContact O-CA 3.32Å; L234-P242 WeakPolarHBondContact O-CA 3.46Å; L234-P242 WeakPolarHBondContact O-CB 3.01Å; P242-I244 HydrophobicContact CB-CD1 4.49Å; P242-I244 HydrophobicContact CG-CD1 4.29Å; P242-M265 HydrophobicContact CG-CG 3.65Å; P242-M265 WeakPolarHBondContact O-CG 3.34Å
243	D	97.6	Very high	93.5	Very high	28 Å²	28	53.3 Å²	53.3	15%	0.15	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.9	167.4	-65.8	-45.3	0	0	0	108.7	L234 Y245 V262 R362	L234-D243 HydrophobicContact CB-CB 4.37Å; L234-D243 PolarHBondContact N-O 3.45Å; L234-D243 PolarHBondContact O-N 3.17Å; D243-Y245 HydrophobicContact CB-CD2 4.45Å; D243-Y245 HydrophobicContact CB-CE2 4.06Å; D243-V262 HydrophobicContact CB-CG1 4.19Å; D243-R362 IonicContact OD2-CZ 2.9Å; D243-R362 IonicContact OD2-NH1 2.73Å; D243-R362 IonicContact OD2-NH2 2.71Å; D243-R362 PolarHBondContact OD2-NH2 3.26Å
244	I	98.6	Very high	92.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	107.7	-178.9	-51.6	-57.4	0	0	0	108.8	I152 F166 V231 M233 P242 V262 Y263 M265 I268	I152-I244 HydrophobicContact CD1-CD1 4.29Å; F166-I244 HydrophobicContact CE1-CG2 3.9Å; F166-I244 HydrophobicContact CZ-CD1 4.49Å; F166-I244 HydrophobicContact CZ-CG1 4.39Å; F166-I244 HydrophobicContact CZ-CG2 3.98Å; V231-I244 HydrophobicContact CG1-CG2 3.59Å; M233-I244 HydrophobicContact CB-CD1 4.15Å; M233-I244 HydrophobicContact CG-CD1 3.83Å; P242-I244 HydrophobicContact CB-CD1 4.49Å; P242-I244 HydrophobicContact CG-CD1 4.29Å; I244-V262 CarbonylContact O-C 3.57Å; I244-V262 WeakPolarHBondContact O-CA 3.38Å; I244-Y263 PolarHBondContact N-O 2.85Å; I244-Y263 PolarHBondContact O-N 3.09Å; I244-M265 HydrophobicContact CD1-SD 4.25Å; I244-M265 HydrophobicContact CG1-SD 4.01Å; I244-I268 HydrophobicContact CG1-CD1 4.12Å
245	Y	98.7	Very high	91.6	Very high	17 Å²	17	64.2 Å²	64.2	7%	0.067	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.5	173	-78.7	-101.2	0	0	0	109.5	V231 F232 L234 D243 V260 V262 I358 V360 D371 M373	V231-Y245 CarbonylContact C-O 3.47Å; V231-Y245 VanDerWaalsContact CA-O 3.3Å; V231-Y245 WeakPolarHBondContact CA-O 3.04Å; F232-Y245 PolarHBondContact N-O 3.22Å; F232-Y245 PolarHBondContact O-N 2.88Å; L234-Y245 HydrophobicContact CB-CD2 4.16Å; L234-Y245 HydrophobicContact CB-CE2 4.19Å; L234-Y245 HydrophobicContact CD2-CE2 3.82Å; D243-Y245 HydrophobicContact CB-CD2 4.45Å; D243-Y245 HydrophobicContact CB-CE2 4.06Å; Y245-V260 HydrophobicContact CD1-CG1 4.16Å; Y245-V262 HydrophobicContact CD1-CG2 3.59Å; Y245-V262 HydrophobicContact CD2-CG1 4.27Å; Y245-V262 HydrophobicContact CE1-CB 4.48Å; Y245-V262 HydrophobicContact CE1-CG1 4.44Å; Y245-V262 HydrophobicContact CE1-CG2 3.28Å; Y245-V262 HydrophobicContact CE2-CG1 3.94Å; Y245-V262 HydrophobicContact CE2-CG2 4.27Å; Y245-V262 HydrophobicContact CG-CG2 4.19Å; Y245-I358 HydrophobicContact CD1-CD1 4.46Å; Y245-V360 HydrophobicContact CD1-CG2 3.75Å; Y245-V360 HydrophobicContact CD2-CB 4.48Å; Y245-V360 HydrophobicContact CD2-CG2 4.07Å; Y245-V360 HydrophobicContact CE1-CG1 4.33Å; Y245-V360 HydrophobicContact CE1-CG2 4.19Å; Y245-V360 HydrophobicContact CE2-CG1 4.21Å; Y245-V360 HydrophobicContact CE2-CG2 4.49Å; Y245-V360 HydrophobicContact CG-CG2 3.7Å; Y245-D371 VanDerWaalsContact OH-CB 3.25Å; Y245-D371 WeakPolarHBondContact OH-CB 3.44Å; Y245-D371 VanDerWaalsContact OH-CG 3.3Å; Y245-D371 PolarHBondContact OH-OD2 2.87Å; Y245-M373 HydrophobicContact CD1-CG 4.48Å; Y245-M373 HydrophobicContact CD1-SD 4.35Å; Y245-M373 HydrophobicContact CE1-CG 4.29Å; Y245-M373 HydrophobicContact CE1-SD 4.21Å
246	A	98.7	Very high	91.2	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	134.5	-179.9	0	0	0	0	0	112	L228 D230 V231 F248 V260 C261 Y263	L228-A246 HydrophobicContact CD1-CB 3.82Å; D230-A246 CarbonylContact O-C 3.58Å; D230-A246 VanDerWaalsContact O-CA 3.27Å; D230-A246 WeakPolarHBondContact O-CA 3.48Å; V231-A246 HydrophobicContact CG2-CB 4.04Å; A246-F248 HydrophobicContact CB-CD2 4.25Å; A246-F248 HydrophobicContact CB-CE2 3.38Å; A246-F248 HydrophobicContact CB-CZ 3.8Å; A246-F248 WeakPolarHBondContact O-CD2 3.28Å; A246-F248 WeakPolarHBondContact O-CE2 3.25Å; A246-V260 WeakPolarHBondContact O-CA 3.46Å; A246-C261 PolarHBondContact N-O 3.47Å; A246-C261 PolarHBondContact O-N 2.68Å; A246-Y263 HydrophobicContact CB-CE2 4.26Å
247	I	98.6	Very high	91.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.5	171.1	-61.4	172.1	0	0	0	108.5	E229 D230 F258 A259 V260 L355 I358 I375	E229-I247 HydrophobicContact CB-CB 4.16Å; E229-I247 HydrophobicContact CB-CG2 3.9Å; E229-I247 HydrophobicContact CG-CG2 4.27Å; E229-I247 PolarHBondContact N-O 3.19Å; D230-I247 HydrophobicContact CB-CD1 4.38Å; D230-I247 PolarHBondContact O-N 3.08Å; I247-F258 HydrophobicContact CG2-CD1 4.2Å; I247-A259 WeakPolarHBondContact CA-O 3.11Å; I247-V260 HydrophobicContact CG1-CG2 4.16Å; I247-L355 HydrophobicContact CD1-CB 4.23Å; I247-L355 HydrophobicContact CG2-CB 3.94Å; I247-I358 HydrophobicContact CD1-CB 3.68Å; I247-I358 HydrophobicContact CD1-CG2 4.01Å; I247-I358 HydrophobicContact CG1-CB 3.95Å; I247-I358 HydrophobicContact CG1-CD1 4.37Å; I247-I358 HydrophobicContact CG1-CG2 3.93Å; I247-I375 HydrophobicContact CD1-CG2 4.05Å
248	F	98.2	Very high	91.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.7	172.4	-59.3	-102.1	0	0	0	110.4	T183 L211 C213 F225 Q227 L228 A246 F258 A259 C261 Y263	T183-F248 HydrophobicContact CG2-CE1 3.72Å; T183-F248 HydrophobicContact CG2-CZ 4.45Å; L211-F248 HydrophobicContact CD2-CE1 4.45Å; L211-F248 HydrophobicContact CD2-CZ 3.88Å; L211-F248 HydrophobicContact CG-CZ 4.22Å; C213-F248 HydrophobicContact CB-CB 4.27Å; C213-F248 HydrophobicContact CB-CD1 3.96Å; C213-F248 HydrophobicContact CB-CD2 3.53Å; C213-F248 HydrophobicContact CB-CE1 4.13Å; C213-F248 HydrophobicContact CB-CE2 3.76Å; C213-F248 HydrophobicContact CB-CG 3.66Å; C213-F248 HydrophobicContact CB-CZ 4.07Å; F225-F248 HydrophobicContact CB-CB 3.42Å; F225-F248 VanDerWaalsContact CB-CB 3.42Å; F225-F248 HydrophobicContact CB-CG 4.41Å; F225-F248 VanDerWaalsContact O-CD1 3.27Å; F225-F248 WeakPolarHBondContact O-CD1 3.46Å; Q227-F248 CarbonylContact O-C 3.53Å; Q227-F248 WeakPolarHBondContact O-CA 3.37Å; L228-F248 HydrophobicContact CD1-CD1 4.21Å; L228-F248 HydrophobicContact CD1-CE1 3.86Å; L228-F248 HydrophobicContact CD1-CE2 4.32Å; L228-F248 HydrophobicContact CD1-CZ 3.88Å; A246-F248 HydrophobicContact CB-CD2 4.25Å; A246-F248 HydrophobicContact CB-CE2 3.38Å; A246-F248 HydrophobicContact CB-CZ 3.8Å; A246-F248 WeakPolarHBondContact O-CD2 3.28Å; A246-F248 WeakPolarHBondContact O-CE2 3.25Å; F248-F258 CarbonylContact O-C 3.55Å; F248-F258 WeakPolarHBondContact O-CA 3.07Å; F248-A259 PolarHBondContact N-O 3.42Å; F248-A259 PolarHBondContact O-N 3.01Å; F248-C261 HydrophobicContact CD2-CB 4.27Å; F248-C261 HydrophobicContact CE2-CB 3.86Å; F248-Y263 AromaticContact CE2-CE2 3.83Å; F248-Y263 HydrophobicContact CE2-CE2 3.83Å; F248-Y263 WeakPolarHBondContact CE2-OH 3.48Å; F248-Y263 AromaticContact CZ-CE2 3.8Å; F248-Y263 HydrophobicContact CZ-CE2 3.8Å; F248-Y263 AromaticContact CZ-CZ 3.87Å; F248-Y263 WeakPolarHBondContact CZ-OH 3.44Å
249	S	95.9	Very high	91.9	Very high	8 Å²	8	46.5 Å²	46.5	6%	0.056	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	157.3	170.3	65.2	0	0	0	0	110.8	F225 N226 Q227 E229 G257	F225-S249 CarbonylContact C-O 3.58Å; N226-S249 PolarHBondContact N-O 2.84Å; Q227-S249 WeakPolarHBondContact CB-O 3.46Å; Q227-S249 VanDerWaalsContact CB-OG 3.31Å; Q227-S249 WeakPolarHBondContact CB-OG 3.38Å; Q227-S249 VanDerWaalsContact CG-OG 3.31Å; Q227-S249 WeakPolarHBondContact CG-OG 3.42Å; Q227-S249 PolarHBondContact N-O 3.48Å; Q227-S249 VanDerWaalsContact N-O 3.13Å; Q227-S249 PolarHBondContact O-N 3.44Å; E229-S249 PolarHBondContact OE1-OG 3.49Å; S249-G257 CarbonylContact C-O 3.5Å; S249-G257 WeakPolarHBondContact CA-O 3.49Å
250	T	93.1	Very high	92.2	Very high	28 Å²	28	40.3 Å²	40.3	17%	0.172	21%	0.21	C	C	.	.			trans	-70.6	150.5	165.9	51.2	0	0	0	0	110.1	F225 S252 F255 G257	F225-T250 HydrophobicContact CD1-CG2 3.82Å; F225-T250 HydrophobicContact CE1-CG2 3.92Å; T250-S252 VanDerWaalsContact C-N 3.33Å; T250-F255 WeakPolarHBondContact CB-O 3.49Å; T250-F255 PolarHBondContact OG1-O 3.27Å; T250-G257 PolarHBondContact N-O 3.06Å; T250-G257 PolarHBondContact OG1-N 2.85Å; T250-G257 PolarHBondContact OG1-O 3.49Å
251	I	87.4	Confident	92.4	Very high	77 Å²	77	36.9 Å²	36.9	40%	0.395	20%	0.197	S	C	.	.	S	Bend	trans	-79	-23.3	176.2	-57.8	155.2	0	0	0	111	I181 N226 Q227 N253	I181-I251 HydrophobicContact CB-CD1 3.69Å; I181-I251 HydrophobicContact CB-CG1 4.32Å; I181-I251 HydrophobicContact CD1-CD1 4.48Å; I181-I251 HydrophobicContact CD1-CG1 4.48Å; I181-I251 HydrophobicContact CD1-CG2 4.08Å; I181-I251 HydrophobicContact CG1-CD1 4.47Å; I181-I251 HydrophobicContact CG2-CD1 4.38Å; N226-I251 HydrophobicContact CB-CD1 3.6Å; N226-I251 HydrophobicContact CB-CG1 4.14Å; Q227-I251 HydrophobicContact CB-CG1 4.42Å; I251-N253 PolarHBondContact O-N 2.86Å
252	S	81.6	Confident	92.5	Very high	51 Å²	51	34.8 Å²	34.8	36%	0.357	19%	0.187	S	C	.	.			trans	-71.1	129.2	-174.9	-178	0	0	0	0	111.9	T250 V254 F255	T250-S252 VanDerWaalsContact C-N 3.33Å; S252-V254 PolarHBondContact O-N 3.4Å; S252-V254 PolarHBondContact OG-N 2.99Å; S252-V254 VanDerWaalsContact OG-N 3.17Å; S252-F255 CarbonylContact O-C 3.44Å; S252-F255 VanDerWaalsContact O-O 3.08Å; S252-F255 PolarHBondContact OG-N 3.18Å
253	N	73.3	Confident	92.6	Very high	144 Å²	144	34.7 Å²	34.7	77%	0.77	19%	0.186	S	C	*	.	S	Bend	trans	-72.5	-19.2	170.9	-69.1	-35.4	0	0	0	112.8	I251	I251-N253 PolarHBondContact O-N 2.86Å
254	V	77.1	Confident	92.6	Very high	122 Å²	122	39.5 Å²	39.5	74%	0.739	20%	0.202	S	C	*	.	S	Bend	trans	-84.7	-42.5	-179.4	-177.9	0	0	0	0	110.9	S252	S252-V254 PolarHBondContact O-N 3.4Å; S252-V254 PolarHBondContact OG-N 2.99Å; S252-V254 VanDerWaalsContact OG-N 3.17Å
255	F	79.8	Confident	92.5	Very high	148 Å²	148	39.5 Å²	39.5	65%	0.649	20%	0.202	S	C	*	.	S	Bend	trans	-110.7	96.5	177.4	-65.1	-72.5	0	0	0	109	T250 S252	T250-F255 WeakPolarHBondContact CB-O 3.49Å; T250-F255 PolarHBondContact OG1-O 3.27Å; S252-F255 CarbonylContact O-C 3.44Å; S252-F255 VanDerWaalsContact O-O 3.08Å; S252-F255 PolarHBondContact OG-N 3.18Å
256	Q	86.1	Confident	92.4	Very high	76 Å²	76	41.3 Å²	41.3	36%	0.355	22%	0.22	S	C	.	.			trans	-88.2	110.9	174.1	-66.5	-175.9	12.3	0	0	109.4	N350	Q256-N350 PolarHBondContact O-N 3.46Å
257	G	93.8	Very high	92.4	Very high	6 Å²	6	43.6 Å²	43.6	6%	0.062	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.6	174.4	0	0	0	0	0	110.1	S249 T250 K348	S249-G257 CarbonylContact C-O 3.5Å; S249-G257 WeakPolarHBondContact CA-O 3.49Å; T250-G257 PolarHBondContact N-O 3.06Å; T250-G257 PolarHBondContact OG1-N 2.85Å; T250-G257 PolarHBondContact OG1-O 3.49Å; G257-K348 CarbonylContact C-O 3.56Å; G257-K348 WeakPolarHBondContact CA-O 3.36Å
258	F	96.8	Very high	92.4	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.8	173.7	-65	-94	0	0	0	110	E229 I247 F248 V347 K348 I351 K354 L355	E229-F258 HydrophobicContact CG-CE1 4.32Å; I247-F258 HydrophobicContact CG2-CD1 4.2Å; F248-F258 CarbonylContact O-C 3.55Å; F248-F258 WeakPolarHBondContact O-CA 3.07Å; F258-V347 CarbonylContact O-C 3.59Å; F258-V347 WeakPolarHBondContact O-CA 3.31Å; F258-K348 PolarHBondContact N-O 3.17Å; F258-K348 PolarHBondContact O-N 2.87Å; F258-I351 HydrophobicContact CD2-CD1 4.03Å; F258-I351 HydrophobicContact CD2-CG1 4.5Å; F258-K354 HydrophobicContact CE1-CB 4.08Å; F258-K354 HydrophobicContact CE2-CB 4.05Å; F258-K354 HydrophobicContact CE2-CG 4.09Å; F258-K354 VanDerWaalsContact CZ-CA 3.46Å; F258-K354 HydrophobicContact CZ-CB 3.4Å; F258-K354 VanDerWaalsContact CZ-CB 3.4Å; F258-K354 HydrophobicContact CZ-CD 4.3Å; F258-K354 HydrophobicContact CZ-CG 3.62Å; F258-L355 HydrophobicContact CB-CB 4.3Å; F258-L355 HydrophobicContact CB-CD1 3.57Å; F258-L355 HydrophobicContact CB-CG 3.8Å; F258-L355 HydrophobicContact CD1-CB 3.75Å; F258-L355 HydrophobicContact CD1-CG 4.05Å; F258-L355 HydrophobicContact CD2-CG 4.3Å; F258-L355 HydrophobicContact CE1-CB 4.32Å; F258-L355 WeakPolarHBondContact CE1-O 3.5Å; F258-L355 HydrophobicContact CG-CB 4.03Å; F258-L355 HydrophobicContact CG-CD1 4.14Å; F258-L355 HydrophobicContact CG-CG 3.78Å
259	A	96.8	Very high	92.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.6	175.7	0	0	0	0	0	110.5	F225 I247 F248 P344 L346	F225-A259 HydrophobicContact CB-CB 4.27Å; F225-A259 HydrophobicContact CD1-CB 3.72Å; F225-A259 HydrophobicContact CD2-CB 3.69Å; F225-A259 HydrophobicContact CE1-CB 3.9Å; F225-A259 HydrophobicContact CE2-CB 3.9Å; F225-A259 HydrophobicContact CG-CB 3.62Å; F225-A259 HydrophobicContact CZ-CB 4Å; I247-A259 WeakPolarHBondContact CA-O 3.11Å; F248-A259 PolarHBondContact N-O 3.42Å; F248-A259 PolarHBondContact O-N 3.01Å; A259-P344 HydrophobicContact CB-CB 3.97Å; A259-P344 HydrophobicContact CB-CG 3.99Å; A259-L346 CarbonylContact C-O 3.47Å; A259-L346 WeakPolarHBondContact CA-O 3.31Å
260	V	98	Very high	92.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.5	167.8	-176.3	0	0	0	0	108.2	Y245 A246 I247 P344 V345 L346 I358 M373 I375	Y245-V260 HydrophobicContact CD1-CG1 4.16Å; A246-V260 WeakPolarHBondContact O-CA 3.46Å; I247-V260 HydrophobicContact CG1-CG2 4.16Å; V260-P344 CarbonylContact O-C 3.52Å; V260-P344 VanDerWaalsContact O-CA 3.3Å; V260-P344 WeakPolarHBondContact O-CA 3.42Å; V260-P344 WeakPolarHBondContact O-CB 3.34Å; V260-V345 HydrophobicContact CB-CG2 4Å; V260-V345 HydrophobicContact CG1-CG2 3.87Å; V260-V345 WeakPolarHBondContact O-CG2 3.25Å; V260-V345 PolarHBondContact O-N 3.06Å; V260-L346 HydrophobicContact CB-CB 3.89Å; V260-L346 HydrophobicContact CG2-CB 3.97Å; V260-L346 HydrophobicContact CG2-CD2 3.81Å; V260-L346 HydrophobicContact CG2-CG 4.36Å; V260-L346 PolarHBondContact N-O 2.74Å; V260-I358 HydrophobicContact CG1-CD1 3.79Å; V260-I358 HydrophobicContact CG2-CD1 4.27Å; V260-M373 HydrophobicContact CB-SD 4.45Å; V260-M373 HydrophobicContact CG1-SD 3.97Å; V260-I375 HydrophobicContact CG2-CD1 4.11Å
261	C	97.8	Very high	92.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	146	174.2	-82.5	0	0	0	0	110.1	C213 A246 F248 Y263 P339	C213-C261 WeakPolarHBondContact CA-SG 3.5Å; C213-C261 HydrophobicContact CB-CB 3.86Å; C213-C261 WeakPolarHBondContact CB-SG 3.12Å; C213-C261 WeakPolarHBondContact SG-CB 3.32Å; C213-C261 CovalentContact SG-SG 2.05Å; C213-C261 PolarHBondContact SG-SG 2.72Å; A246-C261 PolarHBondContact N-O 3.47Å; A246-C261 PolarHBondContact O-N 2.68Å; F248-C261 HydrophobicContact CD2-CB 4.27Å; F248-C261 HydrophobicContact CE2-CB 3.86Å; C261-Y263 HydrophobicContact CB-CE2 3.69Å; C261-Y263 WeakPolarHBondContact CB-OH 3.46Å; C261-P339 HydrophobicContact CB-CB 3.99Å
262	V	97.8	Very high	93.1	Very high	15 Å²	15	45 Å²	45	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.9	177.2	-171.9	0	0	0	0	108.7	D243 I244 Y245 P339 A340 V345	D243-V262 HydrophobicContact CB-CG1 4.19Å; I244-V262 CarbonylContact O-C 3.57Å; I244-V262 WeakPolarHBondContact O-CA 3.38Å; Y245-V262 HydrophobicContact CD1-CG2 3.59Å; Y245-V262 HydrophobicContact CD2-CG1 4.27Å; Y245-V262 HydrophobicContact CE1-CB 4.48Å; Y245-V262 HydrophobicContact CE1-CG1 4.44Å; Y245-V262 HydrophobicContact CE1-CG2 3.28Å; Y245-V262 HydrophobicContact CE2-CG1 3.94Å; Y245-V262 HydrophobicContact CE2-CG2 4.27Å; Y245-V262 HydrophobicContact CG-CG2 4.19Å; V262-P339 CarbonylContact O-C 3.51Å; V262-P339 VanDerWaalsContact O-CA 3.28Å; V262-P339 WeakPolarHBondContact O-CA 3.37Å; V262-P339 WeakPolarHBondContact O-CB 3.27Å; V262-A340 PolarHBondContact O-N 2.82Å; V262-V345 HydrophobicContact CG2-CB 4.47Å; V262-V345 HydrophobicContact CG2-CG1 3.77Å; V262-V345 HydrophobicContact CG2-CG2 3.83Å
263	Y	98.4	Very high	93.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.3	-180	-53.3	-89.4	0	0	0	110.4	L211 V212 I244 A246 F248 C261 V337 L338 P339	L211-Y263 HydrophobicContact CD1-CD1 3.45Å; L211-Y263 VanDerWaalsContact CD1-CD1 3.45Å; L211-Y263 HydrophobicContact CD1-CD2 3.96Å; L211-Y263 HydrophobicContact CD1-CE1 3.38Å; L211-Y263 HydrophobicContact CD1-CE2 3.91Å; L211-Y263 HydrophobicContact CD1-CG 3.74Å; L211-Y263 HydrophobicContact CD2-CD2 4.25Å; L211-Y263 HydrophobicContact CD2-CE2 3.84Å; L211-Y263 HydrophobicContact CG-CD1 4.31Å; L211-Y263 HydrophobicContact CG-CD2 4.35Å; L211-Y263 HydrophobicContact CG-CE1 3.79Å; L211-Y263 HydrophobicContact CG-CE2 3.84Å; V212-Y263 VanDerWaalsContact C-OH 3.28Å; V212-Y263 WeakPolarHBondContact O-CE1 3.34Å; V212-Y263 PolarHBondContact O-OH 2.82Å; I244-Y263 PolarHBondContact N-O 2.85Å; I244-Y263 PolarHBondContact O-N 3.09Å; A246-Y263 HydrophobicContact CB-CE2 4.26Å; F248-Y263 AromaticContact CE2-CE2 3.83Å; F248-Y263 HydrophobicContact CE2-CE2 3.83Å; F248-Y263 WeakPolarHBondContact CE2-OH 3.48Å; F248-Y263 AromaticContact CZ-CE2 3.8Å; F248-Y263 HydrophobicContact CZ-CE2 3.8Å; F248-Y263 AromaticContact CZ-CZ 3.87Å; F248-Y263 WeakPolarHBondContact CZ-OH 3.44Å; C261-Y263 HydrophobicContact CB-CE2 3.69Å; C261-Y263 WeakPolarHBondContact CB-OH 3.46Å; Y263-V337 HydrophobicContact CD1-CG1 3.81Å; Y263-V337 HydrophobicContact CE1-CG1 4.48Å; Y263-L338 WeakPolarHBondContact CD1-O 3.19Å; Y263-P339 HydrophobicContact CD1-CB 4.29Å; Y263-P339 HydrophobicContact CE1-CB 3.98Å
264	R	97.3	Very high	94.9	Very high	129 Å²	129	40.6 Å²	40.6	49%	0.487	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	141.7	172.4	-62.3	174	179.5	164.6	2.3	109.3	A266 D267 I268 A340	R264-A266 PolarHBondContact O-N 2.96Å; R264-D267 WeakPolarHBondContact CB-OD2 3.24Å; R264-D267 PolarHBondContact O-N 3.42Å; R264-D267 VanDerWaalsContact O-N 3.1Å; R264-I268 PolarHBondContact O-N 2.85Å; R264-A340 HydrophobicContact CG-CB 4.05Å
265	M	97.2	Very high	95.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-26.3	174.5	-77.5	-56.1	-57.8	0	0	113.5	I152 Y164 P242 I244 I268 R269	I152-M265 HydrophobicContact CB-CE 4.42Å; I152-M265 HydrophobicContact CD1-CE 3.95Å; I152-M265 HydrophobicContact CD1-CG 4.42Å; I152-M265 HydrophobicContact CD1-SD 3.67Å; I152-M265 HydrophobicContact CG2-CE 4.03Å; I152-M265 HydrophobicContact CG2-CG 4.4Å; Y164-M265 HydrophobicContact CD1-CE 4.32Å; Y164-M265 HydrophobicContact CD2-CE 4.36Å; Y164-M265 HydrophobicContact CE1-CE 3.83Å; Y164-M265 HydrophobicContact CE2-CE 3.88Å; P242-M265 HydrophobicContact CG-CG 3.65Å; P242-M265 WeakPolarHBondContact O-CG 3.34Å; I244-M265 HydrophobicContact CD1-SD 4.25Å; I244-M265 HydrophobicContact CG1-SD 4.01Å; M265-I268 HydrophobicContact CE-CB 4.47Å; M265-I268 HydrophobicContact CE-CG2 4.31Å; M265-I268 PolarHBondContact O-N 3.4Å; M265-I268 HydrophobicContact SD-CB 4.47Å; M265-I268 HydrophobicContact SD-CD1 3.59Å; M265-I268 VanDerWaalsContact SD-CD1 3.59Å; M265-R269 VanDerWaalsContact O-CG 3.3Å; M265-R269 WeakPolarHBondContact O-CG 3.3Å; M265-R269 PolarHBondContact O-N 3.32Å
266	A	96.8	Very high	96.7	Very high	54 Å²	54	29.6 Å²	29.6	45%	0.446	15%	0.154	S	C	.	.	H	α-helix	trans	-59.5	-45.7	172.9	0	0	0	0	0	112.3	R264 R269 E270	R264-A266 PolarHBondContact O-N 2.96Å; A266-R269 PolarHBondContact O-N 2.78Å; A266-E270 PolarHBondContact O-N 3.4Å
267	D	98	Very high	97	Very high	48 Å²	48	26.2 Å²	26.2	26%	0.257	14%	0.139	S	C	.	.	H	α-helix	trans	-68.6	-37.5	-179.6	-53.9	-36.2	0	0	0	111	R264 E270 A271 V337	R264-D267 WeakPolarHBondContact CB-OD2 3.24Å; R264-D267 PolarHBondContact O-N 3.42Å; R264-D267 VanDerWaalsContact O-N 3.1Å; D267-E270 PolarHBondContact O-N 2.81Å; D267-A271 PolarHBondContact O-N 2.86Å; D267-A271 VanDerWaalsContact O-N 3.08Å; D267-V337 HydrophobicContact CB-CG1 4.45Å
268	I	98.4	Very high	96.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-46.4	174.2	-67.5	165.5	0	0	0	110.6	Y164 V185 I244 R264 M265 A271 F272 V337	Y164-I268 HydrophobicContact CD1-CG2 4.45Å; Y164-I268 HydrophobicContact CE1-CG2 4.01Å; V185-I268 HydrophobicContact CG1-CG2 4.27Å; V185-I268 HydrophobicContact CG2-CG2 4.36Å; I244-I268 HydrophobicContact CG1-CD1 4.12Å; R264-I268 PolarHBondContact O-N 2.85Å; M265-I268 HydrophobicContact CE-CB 4.47Å; M265-I268 HydrophobicContact CE-CG2 4.31Å; M265-I268 PolarHBondContact O-N 3.4Å; M265-I268 HydrophobicContact SD-CB 4.47Å; M265-I268 HydrophobicContact SD-CD1 3.59Å; M265-I268 VanDerWaalsContact SD-CD1 3.59Å; I268-A271 PolarHBondContact O-N 3.06Å; I268-F272 HydrophobicContact CG2-CD2 3.76Å; I268-F272 HydrophobicContact CG2-CE2 3.44Å; I268-F272 VanDerWaalsContact CG2-CE2 3.44Å; I268-F272 WeakPolarHBondContact O-CD2 3.48Å; I268-F272 PolarHBondContact O-N 2.84Å; I268-V337 HydrophobicContact CG1-CG1 3.64Å; I268-V337 HydrophobicContact CG1-CG2 4.25Å
269	R	97.4	Very high	96	Very high	30 Å²	30	32.5 Å²	32.5	11%	0.113	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-39	176.6	-71.8	173.2	-174.1	126.7	4.7	112.2	P153 D154 R240 N241 M265 A266 A271 F272 N273	P153-R269 PolarHBondContact O-NH2 3.13Å; D154-R269 IonicContact OD1-CZ 3.59Å; D154-R269 IonicContact OD1-NE 2.78Å; D154-R269 PolarHBondContact OD1-NE 2.97Å; D154-R269 IonicContact OD1-NH2 3.63Å; D154-R269 PolarHBondContact OD1-NH2 2.91Å; R240-R269 VanDerWaalsContact O-CZ 3.25Å; R240-R269 PolarHBondContact O-NH1 3.45Å; R240-R269 PolarHBondContact O-NH2 2.71Å; N241-R269 PolarHBondContact OD1-NH1 3.28Å; M265-R269 VanDerWaalsContact O-CG 3.3Å; M265-R269 WeakPolarHBondContact O-CG 3.3Å; M265-R269 PolarHBondContact O-N 3.32Å; A266-R269 PolarHBondContact O-N 2.78Å; R269-A271 VanDerWaalsContact C-N 3.32Å; R269-A271 PolarHBondContact O-N 3.05Å; R269-F272 PolarHBondContact O-N 2.04Å; R269-N273 WeakPolarHBondContact O-CB 3.22Å; R269-N273 VanDerWaalsContact O-CG 3.3Å; R269-N273 PolarHBondContact O-N 3.11Å; R269-N273 PolarHBondContact O-ND2 2.63Å
270	E	97.6	Very high	94.6	Very high	110 Å²	110	39.4 Å²	39.4	51%	0.514	20%	0.197	S	C	.	.	H	α-helix	trans	-58.8	-44.6	176	-168.8	-171	158.7	0	0	111.2	A266 D267 F272 N273 G274 R335	A266-E270 PolarHBondContact O-N 3.4Å; D267-E270 PolarHBondContact O-N 2.81Å; E270-F272 PolarHBondContact O-N 3.43Å; E270-N273 CarbonylContact O-C 3.6Å; E270-N273 WeakPolarHBondContact O-CA 3.49Å; E270-N273 PolarHBondContact O-N 3.14Å; E270-N273 VanDerWaalsContact O-N 3.12Å; E270-G274 PolarHBondContact O-N 3.1Å; E270-R335 IonicContact OE1-NH1 2.87Å
271	A	98.1	Very high	93	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-44.3	176.5	0	0	0	0	0	112.2	A209 D267 I268 R269 N273 G274 M333 V337	A209-A271 HydrophobicContact CB-CB 4.3Å; D267-A271 PolarHBondContact O-N 2.86Å; D267-A271 VanDerWaalsContact O-N 3.08Å; I268-A271 PolarHBondContact O-N 3.06Å; R269-A271 VanDerWaalsContact C-N 3.32Å; R269-A271 PolarHBondContact O-N 3.05Å; A271-N273 PolarHBondContact O-N 2.79Å; A271-G274 PolarHBondContact O-N 3.43Å; A271-M333 WeakPolarHBondContact O-CE 3.36Å; A271-V337 HydrophobicContact CB-CG2 3.54Å
272	F	98	Very high	91.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-23.9	175.2	-71.3	-58	0	0	0	114	Y164 V185 R187 I207 A209 I268 R269 E270 G274 R297 M333	Y164-F272 HydrophobicContact CD1-CE2 4.26Å; Y164-F272 HydrophobicContact CE1-CD2 4.29Å; Y164-F272 AromaticContact CE1-CE2 3.76Å; Y164-F272 HydrophobicContact CE1-CE2 3.76Å; V185-F272 HydrophobicContact CG1-CE2 4.27Å; V185-F272 HydrophobicContact CG1-CZ 4.1Å; V185-F272 HydrophobicContact CG2-CE2 4.4Å; V185-F272 HydrophobicContact CG2-CZ 4.36Å; V185-F272 WeakPolarHBondContact O-CZ 3.22Å; R187-F272 HydrophobicContact CB-CE2 4.49Å; R187-F272 HydrophobicContact CB-CZ 4.32Å; R187-F272 HydrophobicContact CG-CD1 4.43Å; R187-F272 HydrophobicContact CG-CD2 4.45Å; R187-F272 HydrophobicContact CG-CE1 4.11Å; R187-F272 HydrophobicContact CG-CE2 4.14Å; R187-F272 HydrophobicContact CG-CZ 3.95Å; R187-F272 VanDerWaalsContact CZ-CB 3.44Å; I207-F272 HydrophobicContact CD1-CB 4.14Å; I207-F272 HydrophobicContact CD1-CD1 3.46Å; I207-F272 VanDerWaalsContact CD1-CD1 3.46Å; I207-F272 HydrophobicContact CD1-CE1 4.18Å; I207-F272 HydrophobicContact CD1-CG 4.12Å; I207-F272 HydrophobicContact CG1-CD1 3.66Å; I207-F272 HydrophobicContact CG1-CE1 3.84Å; A209-F272 HydrophobicContact CB-CE1 4.12Å; A209-F272 HydrophobicContact CB-CZ 4.39Å; I268-F272 HydrophobicContact CG2-CD2 3.76Å; I268-F272 HydrophobicContact CG2-CE2 3.44Å; I268-F272 VanDerWaalsContact CG2-CE2 3.44Å; I268-F272 WeakPolarHBondContact O-CD2 3.48Å; I268-F272 PolarHBondContact O-N 2.84Å; R269-F272 PolarHBondContact O-N 2.04Å; E270-F272 PolarHBondContact O-N 3.43Å; F272-G274 VanDerWaalsContact C-N 3.34Å; F272-R297 PolarHBondContact O-NH2 2.99Å; F272-M333 HydrophobicContact CD1-CG 3.74Å; F272-M333 HydrophobicContact CD1-SD 4.37Å; F272-M333 HydrophobicContact CE1-CG 4.25Å; F272-M333 WeakPolarHBondContact O-CE 3.33Å
273	N	96.3	Very high	89.9	Confident	95 Å²	95	52 Å²	52	51%	0.508	28%	0.279	S	S	.	.	H	α-helix	trans	-87.1	-3.5	171.4	-69.7	-28.8	0	0	0	112.8	R269 E270 A271 R297	R269-N273 WeakPolarHBondContact O-CB 3.22Å; R269-N273 VanDerWaalsContact O-CG 3.3Å; R269-N273 PolarHBondContact O-N 3.11Å; R269-N273 PolarHBondContact O-ND2 2.63Å; E270-N273 CarbonylContact O-C 3.6Å; E270-N273 WeakPolarHBondContact O-CA 3.49Å; E270-N273 PolarHBondContact O-N 3.14Å; E270-N273 VanDerWaalsContact O-N 3.12Å; A271-N273 PolarHBondContact O-N 2.79Å; N273-R297 VanDerWaalsContact C-NH1 3.31Å; N273-R297 VanDerWaalsContact O-CZ 3.32Å; N273-R297 PolarHBondContact O-NH1 2.97Å; N273-R297 PolarHBondContact O-NH2 2.83Å
274	G	96.6	Very high	88.7	Confident	7 Å²	7	60 Å²	60	7%	0.072	31%	0.31	C	S	.	.	S	Bend	trans	-80.4	-177.3	176.1	0	0	0	0	0	114.5	E270 A271 F272 R297 M333	E270-G274 PolarHBondContact O-N 3.1Å; A271-G274 PolarHBondContact O-N 3.43Å; F272-G274 VanDerWaalsContact C-N 3.34Å; G274-R297 PolarHBondContact O-NH2 3.07Å; G274-M333 WeakPolarHBondContact O-CE 3.44Å
275	P	96.7	Very high	88	Confident	38 Å²	38	60.3 Å²	60.3	25%	0.247	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-66	149.3	177.2	24.7	-31.2	0	0	0	112.3	P288 W334 R335	P275-P288 HydrophobicContact CB-CB 4.03Å; P275-P288 HydrophobicContact CG-CB 4.1Å; P275-W334 HydrophobicContact CG-CB 4.15Å; P275-W334 HydrophobicContact CG-CG 4.49Å; P275-W334 WeakPolarHBondContact O-CB 3.21Å; P275-W334 PolarHBondContact O-N 2.78Å; P275-R335 HydrophobicContact CG-CG 4.44Å
276	F	96.8	Very high	87.5	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.009	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-72.9	148.4	169.5	-73.5	-87.7	0	0	0	110.5	I207 Y289 M293 P298 F326 H330 M333	I207-F276 HydrophobicContact CG2-CE1 3.82Å; I207-F276 HydrophobicContact CG2-CZ 4.3Å; F276-Y289 WeakPolarHBondContact O-CB 3.38Å; F276-Y289 PolarHBondContact O-N 3.29Å; F276-M293 HydrophobicContact CD2-CE 3.87Å; F276-M293 HydrophobicContact CD2-SD 3.78Å; F276-M293 HydrophobicContact CE2-CE 3.69Å; F276-M293 HydrophobicContact CE2-SD 3.6Å; F276-P298 HydrophobicContact CE2-CB 4.47Å; F276-P298 HydrophobicContact CZ-CB 3.96Å; F276-F326 HydrophobicContact CB-CE1 4.31Å; F276-F326 HydrophobicContact CB-CZ 4.34Å; F276-F326 HydrophobicContact CD1-CE1 4.23Å; F276-F326 AromaticContact CD2-CE1 3.73Å; F276-F326 HydrophobicContact CD2-CE1 3.73Å; F276-F326 HydrophobicContact CD2-CZ 4.14Å; F276-F326 HydrophobicContact CE2-CE1 4.07Å; F276-F326 AromaticContact CG-CE1 3.82Å; F276-F326 HydrophobicContact CG-CE1 3.82Å; F276-F326 HydrophobicContact CG-CZ 4.26Å; F276-F326 HydrophobicContact CZ-CE1 4.46Å; F276-H330 HydrophobicContact CB-CB 4.28Å; F276-H330 HydrophobicContact CD1-CB 4.07Å; F276-H330 WeakPolarHBondContact CD1-O 3.27Å; F276-H330 VanDerWaalsContact CE1-O 3.3Å; F276-H330 WeakPolarHBondContact CE1-O 3.32Å; F276-H330 HydrophobicContact CG-CB 4.34Å; F276-M333 HydrophobicContact CD1-CE 4.22Å; F276-M333 HydrophobicContact CD1-SD 3.71Å; F276-M333 HydrophobicContact CD2-CE 4.42Å; F276-M333 HydrophobicContact CE1-CE 4.21Å; F276-M333 HydrophobicContact CE1-SD 3.53Å; F276-M333 VanDerWaalsContact CE1-SD 3.53Å; F276-M333 HydrophobicContact CE2-CE 4.39Å; F276-M333 HydrophobicContact CG-CE 4.34Å; F276-M333 HydrophobicContact CG-SD 4.4Å; F276-M333 HydrophobicContact CZ-CE 4.29Å; F276-M333 HydrophobicContact CZ-SD 4.06Å
277	A	93.4	Very high	87.2	Confident	5 Å²	5	62.2 Å²	62.2	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139.3	170.4	0	0	0	0	0	109.6	W286 L332 W334	A277-W286 HydrophobicContact CB-CE3 4.04Å; A277-W286 HydrophobicContact CB-CZ3 4.02Å; A277-L332 HydrophobicContact CB-CB 4.14Å; A277-L332 HydrophobicContact CB-CD2 3.9Å; A277-L332 HydrophobicContact CB-CG 3.81Å; A277-L332 PolarHBondContact N-O 2.78Å; A277-W334 HydrophobicContact CB-CB 4.31Å; A277-W334 HydrophobicContact CB-CE3 4.22Å
278	H	87.8	Confident	87	Confident	34 Å²	34	62.3 Å²	62.3	16%	0.157	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147.1	-172	178.7	74.2	0	0	0	111	E280 W286 G287 Y289 H330	H278-E280 IonicContact CE1-OE2 3.32Å; H278-E280 PolarHBondContact CE1-OE2 2.79Å; H278-E280 WeakPolarHBondContact NE2-CB 2.91Å; H278-E280 IonicContact NE2-OE2 3.58Å; H278-E280 PolarHBondContact NE2-OE2 2.94Å; H278-W286 WeakPolarHBondContact O-CA 3.39Å; H278-G287 PolarHBondContact N-O 3.31Å; H278-G287 PolarHBondContact O-N 2.87Å; H278-Y289 HydrophobicContact CB-CD2 4.12Å; H278-Y289 AromaticContact CD2-CD2 3.92Å; H278-Y289 AromaticContact CG-CD2 3.78Å; H278-Y289 AromaticContact ND1-CD2 3.87Å; H278-H330 AromaticContact CE1-NE2 3.6Å; H278-H330 AromaticContact CG-NE2 3.91Å; H278-H330 AromaticContact ND1-CD2 3.6Å; H278-H330 AromaticContact ND1-NE2 2.86Å; H278-H330 PolarHBondContact ND1-NE2 2.91Å
279	K	80.6	Confident	86.7	Confident	111 Å²	111	65 Å²	65	48%	0.483	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	86.4	-179.1	-170	-178.4	-175.2	179.6	0	108.7	Y284 W286	K279-Y284 WeakPolarHBondContact CE-O 3.26Å; K279-Y284 WeakPolarHBondContact CG-O 3.49Å; K279-W286 HydrophobicContact CB-CD2 4.17Å; K279-W286 HydrophobicContact CB-CE3 4.26Å
280	E	68.8	Low	86.3	Confident	145 Å²	145	72.1 Å²	72.1	68%	0.678	37%	0.368	S	S	*	.			trans	-148.9	150.6	177.3	-160.7	170.5	168.6	0	0	110.2	H278	H278-E280 IonicContact CE1-OE2 3.32Å; H278-E280 PolarHBondContact CE1-OE2 2.79Å; H278-E280 WeakPolarHBondContact NE2-CB 2.91Å; H278-E280 IonicContact NE2-OE2 3.58Å; H278-E280 PolarHBondContact NE2-OE2 2.94Å
281	G	63.4	Low	86	Confident	36 Å²	36	68.8 Å²	68.8	37%	0.371	36%	0.363	S	S	.	.	S	Bend	trans	122	165.9	-173.4	0	0	0	0	0	112.7	N283 Y284	G281-N283 PolarHBondContact O-N 2.78Å; G281-N283 VanDerWaalsContact O-N 3.08Å; G281-Y284 PolarHBondContact O-N 2.97Å
282	P	61.2	Low	85.7	Confident	125 Å²	125	79.8 Å²	79.8	81%	0.812	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.2	-171.1	21.5	-32	0	0	0	114.1
283	N	68.6	Low	85.5	Confident	119 Å²	119	82.6 Å²	82.6	64%	0.636	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-0.6	-178.5	-60.8	-16.4	0	0	0	113.6	G281 Q285	G281-N283 PolarHBondContact O-N 2.78Å; G281-N283 VanDerWaalsContact O-N 3.08Å; N283-Q285 HydrophobicContact CB-CG 4.08Å; N283-Q285 PolarHBondContact O-N 2.05Å; N283-Q285 VanDerWaalsContact O-N 3.16Å
284	Y	75.1	Confident	85.4	Confident	167 Å²	167	79.4 Å²	79.4	66%	0.655	40%	0.402	S	S	*	.			trans	49.5	40.1	-178.6	-70.5	-92.2	0	0	0	114.1	K279 G281	K279-Y284 WeakPolarHBondContact CE-O 3.26Å; K279-Y284 WeakPolarHBondContact CG-O 3.49Å; G281-Y284 PolarHBondContact O-N 2.97Å
285	Q	82	Confident	85.3	Confident	137 Å²	137	82.6 Å²	82.6	64%	0.64	41%	0.412	S	S	*	.			trans	-92.7	153.5	178.4	-68.5	-178.7	-8.1	0	0	111.3	N283	N283-Q285 HydrophobicContact CB-CG 4.08Å; N283-Q285 PolarHBondContact O-N 2.05Å; N283-Q285 VanDerWaalsContact O-N 3.16Å
286	W	86.4	Confident	85.2	Confident	75 Å²	75	80.8 Å²	80.8	28%	0.284	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	134	174.8	-75.5	97.5	0	0	0	110.9	S172 E173 A277 H278 K279 L332 W334	S172-W286 PolarHBondContact O-NE1 3.01Å; S172-W286 VanDerWaalsContact O-NE1 3.13Å; E173-W286 VanDerWaalsContact CA-CD1 3.5Å; E173-W286 HydrophobicContact CB-CB 4.48Å; E173-W286 HydrophobicContact CB-CD2 3.92Å; E173-W286 HydrophobicContact CB-CG 3.88Å; A277-W286 HydrophobicContact CB-CE3 4.04Å; A277-W286 HydrophobicContact CB-CZ3 4.02Å; H278-W286 WeakPolarHBondContact O-CA 3.39Å; K279-W286 HydrophobicContact CB-CD2 4.17Å; K279-W286 HydrophobicContact CB-CE3 4.26Å; W286-L332 HydrophobicContact CZ3-CD2 4.46Å; W286-W334 HydrophobicContact CB-CZ3 4.19Å; W286-W334 WeakPolarHBondContact O-CH2 3.23Å
287	G	90	Very high	85.2	Confident	19 Å²	19	83.8 Å²	83.8	20%	0.196	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	177.6	178.4	0	0	0	0	0	112.9	H278	H278-G287 PolarHBondContact N-O 3.31Å; H278-G287 PolarHBondContact O-N 2.87Å
288	P	93.4	Very high	85.4	Confident	51 Å²	51	83.8 Å²	83.8	33%	0.331	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	139.5	171.2	29.6	-32.5	0	0	0	110.5	P275 E290 W334	P275-P288 HydrophobicContact CB-CB 4.03Å; P275-P288 HydrophobicContact CG-CB 4.1Å; P288-E290 PolarHBondContact O-N 2.82Å; P288-W334 HydrophobicContact CB-CB 4.47Å; P288-W334 HydrophobicContact CB-CD2 4.37Å; P288-W334 HydrophobicContact CB-CG 3.93Å
289	Y	92.8	Very high	85.8	Confident	57 Å²	57	82.3 Å²	82.3	22%	0.224	41%	0.406	C	S	.	.			trans	-70.1	115.4	170.2	-177	-102.5	0	0	0	110.3	F276 H278 G291 F326	F276-Y289 WeakPolarHBondContact O-CB 3.38Å; F276-Y289 PolarHBondContact O-N 3.29Å; H278-Y289 HydrophobicContact CB-CD2 4.12Å; H278-Y289 AromaticContact CD2-CD2 3.92Å; H278-Y289 AromaticContact CG-CD2 3.78Å; H278-Y289 AromaticContact ND1-CD2 3.87Å; Y289-G291 VanDerWaalsContact CE1-CA 3.46Å; Y289-G291 VanDerWaalsContact CE1-O 3.23Å; Y289-G291 WeakPolarHBondContact CE1-O 3.25Å; Y289-G291 VanDerWaalsContact CZ-CA 3.46Å; Y289-F326 HydrophobicContact CD1-CE2 4.06Å; Y289-F326 AromaticContact CD1-CZ 3.92Å; Y289-F326 HydrophobicContact CD1-CZ 3.92Å; Y289-F326 HydrophobicContact CD2-CE2 4.41Å; Y289-F326 AromaticContact CE1-CE2 3.64Å; Y289-F326 HydrophobicContact CE1-CE2 3.64Å; Y289-F326 AromaticContact CE1-CZ 3.97Å; Y289-F326 HydrophobicContact CE1-CZ 3.97Å; Y289-F326 HydrophobicContact CE2-CE2 4.05Å; Y289-F326 HydrophobicContact CG-CE2 4.42Å; Y289-F326 HydrophobicContact CG-CZ 4.2Å; Y289-F326 AromaticContact CZ-CE2 3.64Å
290	E	90.2	Very high	86.5	Confident	179 Å²	179	78.4 Å²	78.4	84%	0.836	39%	0.391	S	S	*	.			trans	-99.8	-4.6	180	-60.1	-170.6	154.8	0	0	113.5	P288	P288-E290 PolarHBondContact O-N 2.82Å
291	G	89.7	Confident	87.9	Confident	40 Å²	40	71.5 Å²	71.5	41%	0.412	36%	0.358	S	S	.	.	S	Bend	trans	-71.2	176.1	179.3	0	0	0	0	0	113.7	Y289 M293	Y289-G291 VanDerWaalsContact CE1-CA 3.46Å; Y289-G291 VanDerWaalsContact CE1-O 3.23Å; Y289-G291 WeakPolarHBondContact CE1-O 3.25Å; Y289-G291 VanDerWaalsContact CZ-CA 3.46Å; G291-M293 PolarHBondContact O-N 2.89Å
292	R	92.2	Very high	89.4	Confident	233 Å²	233	70 Å²	70	88%	0.879	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-71.3	117.7	179.4	-175	-179.9	179.8	-179.8	1.9	111	P294	R292-P294 WeakPolarHBondContact O-CD 3.36Å
293	M	94.2	Very high	91	Very high	59 Å²	59	64.1 Å²	64.1	29%	0.291	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-64.5	123.8	174.3	-168.4	84.6	-98.3	0	0	111.2	F276 G291 R297 P298 F326	F276-M293 HydrophobicContact CD2-CE 3.87Å; F276-M293 HydrophobicContact CD2-SD 3.78Å; F276-M293 HydrophobicContact CE2-CE 3.69Å; F276-M293 HydrophobicContact CE2-SD 3.6Å; G291-M293 PolarHBondContact O-N 2.89Å; M293-R297 HydrophobicContact CG-CG 4.18Å; M293-R297 HydrophobicContact SD-CG 4.16Å; M293-P298 HydrophobicContact CE-CG 3.6Å; M293-F326 HydrophobicContact CE-CD1 3.61Å; M293-F326 HydrophobicContact CE-CD2 4.27Å; M293-F326 HydrophobicContact CE-CE1 3.22Å; M293-F326 HydrophobicContact CE-CE2 3.94Å; M293-F326 HydrophobicContact CE-CG 4.12Å; M293-F326 HydrophobicContact CE-CZ 3.41Å; M293-F326 VanDerWaalsContact CE-CZ 3.41Å
294	P	94.8	Very high	92	Very high	28 Å²	28	66.2 Å²	66.2	18%	0.182	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-64	157.9	170.5	28.4	-39.6	0	0	0	112.3	R292 P296 P298 V323 F326	R292-P294 WeakPolarHBondContact O-CD 3.36Å; P294-P296 CarbonylContact O-C 3.59Å; P294-P298 HydrophobicContact CG-CG 4.06Å; P294-V323 HydrophobicContact CB-CG2 3.82Å; P294-V323 HydrophobicContact CG-CG2 4.46Å; P294-F326 HydrophobicContact CG-CB 3.9Å; P294-F326 HydrophobicContact CG-CD2 4.12Å; P294-F326 HydrophobicContact CG-CG 3.95Å
295	Y	93.8	Very high	92.6	Very high	75 Å²	75	63.4 Å²	63.4	29%	0.294	30%	0.303	S	S	.	.	S	Bend	trans	-121.4	134.9	-179.7	179.5	-91.6	0	0	0	111	T306 Q308 K311 F313 V323	Y295-T306 PolarHBondContact OH-O 2.93Å; Y295-Q308 WeakPolarHBondContact OH-CG 3.13Å; Y295-K311 HydrophobicContact CD1-CD 4.11Å; Y295-K311 HydrophobicContact CE1-CB 4.17Å; Y295-K311 HydrophobicContact CE1-CD 3.81Å; Y295-F313 HydrophobicContact CD1-CE2 4.44Å; Y295-F313 AromaticContact CE1-CE2 3.82Å; Y295-F313 HydrophobicContact CE1-CE2 3.82Å; Y295-F313 HydrophobicContact CE1-CZ 4.28Å; Y295-V323 WeakPolarHBondContact O-CG2 3.37Å
296	P	95.3	Very high	93	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.276	C	S	.	.	S	Bend	cis	-65.7	157.2	-1.8	28.7	-33.8	0	0	0	111.3	P294 V300 T306 F313 F319 V323	P294-P296 CarbonylContact O-C 3.59Å; P296-V300 HydrophobicContact CB-CG2 3.93Å; P296-T306 HydrophobicContact CB-CG2 3.59Å; P296-T306 HydrophobicContact CG-CG2 4.41Å; P296-F313 HydrophobicContact CB-CD2 4.43Å; P296-F313 HydrophobicContact CB-CE2 4.14Å; P296-F313 VanDerWaalsContact CD-CZ 3.46Å; P296-F313 HydrophobicContact CG-CD2 4.06Å; P296-F313 HydrophobicContact CG-CE1 4.48Å; P296-F313 HydrophobicContact CG-CE2 3.82Å; P296-F313 HydrophobicContact CG-CZ 4.07Å; P296-F319 HydrophobicContact CB-CE1 4.47Å; P296-F319 HydrophobicContact CG-CD1 3.53Å; P296-F319 HydrophobicContact CG-CE1 3.52Å; P296-F319 HydrophobicContact CG-CG 4.09Å; P296-F319 HydrophobicContact CG-CZ 4.07Å; P296-V323 VanDerWaalsContact O-CG1 3.28Å; P296-V323 WeakPolarHBondContact O-CG1 3.44Å
297	R	96	Very high	93.2	Very high	65 Å²	65	56.4 Å²	56.4	25%	0.245	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-63	128.7	-176.1	177.6	-177.6	172.6	155.8	7.8	109.5	F272 N273 G274 M293 G299 V300	F272-R297 PolarHBondContact O-NH2 2.99Å; N273-R297 VanDerWaalsContact C-NH1 3.31Å; N273-R297 VanDerWaalsContact O-CZ 3.32Å; N273-R297 PolarHBondContact O-NH1 2.97Å; N273-R297 PolarHBondContact O-NH2 2.83Å; G274-R297 PolarHBondContact O-NH2 3.07Å; M293-R297 HydrophobicContact CG-CG 4.18Å; M293-R297 HydrophobicContact SD-CG 4.16Å; R297-G299 PolarHBondContact O-N 2.8Å; R297-V300 HydrophobicContact CB-CG1 3.98Å; R297-V300 HydrophobicContact CG-CG1 4.48Å; R297-V300 WeakPolarHBondContact O-CG1 3.47Å; R297-V300 WeakPolarHBondContact O-CG2 3.34Å; R297-V300 PolarHBondContact O-N 2.87Å
298	P	97.4	Very high	92.9	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.026	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	132.1	174.3	-31	38.1	0	0	0	112.6	F276 M293 P294 V323 F326 A327	F276-P298 HydrophobicContact CE2-CB 4.47Å; F276-P298 HydrophobicContact CZ-CB 3.96Å; M293-P298 HydrophobicContact CE-CG 3.6Å; P294-P298 HydrophobicContact CG-CG 4.06Å; P298-V323 HydrophobicContact CG-CG1 4.14Å; P298-F326 HydrophobicContact CB-CD1 4.06Å; P298-F326 HydrophobicContact CG-CB 4.19Å; P298-F326 HydrophobicContact CG-CD1 3.51Å; P298-F326 HydrophobicContact CG-CE1 4.25Å; P298-F326 HydrophobicContact CG-CG 4.09Å; P298-A327 HydrophobicContact CB-CB 4.05Å
299	G	95.8	Very high	92.2	Very high	4 Å²	4	64 Å²	64	4%	0.041	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	4.9	-178.8	0	0	0	0	0	116.4	T205 R297	T205-G299 WeakPolarHBondContact O-CA 3.45Å; R297-G299 PolarHBondContact O-N 2.8Å
300	V	96.4	Very high	91.5	Very high	28 Å²	28	65 Å²	65	17%	0.17	34%	0.341	C	S	.	.			trans	-88.6	154.6	168	-54.4	0	0	0	0	111.5	T205 P296 R297 T306	T205-V300 WeakPolarHBondContact CG2-O 3.48Å; P296-V300 HydrophobicContact CB-CG2 3.93Å; R297-V300 HydrophobicContact CB-CG1 3.98Å; R297-V300 HydrophobicContact CG-CG1 4.48Å; R297-V300 WeakPolarHBondContact O-CG1 3.47Å; R297-V300 WeakPolarHBondContact O-CG2 3.34Å; R297-V300 PolarHBondContact O-N 2.87Å; V300-T306 HydrophobicContact CG2-CG2 3.68Å
301	C	96.8	Very high	91.1	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.			trans	-88.9	147.7	177.5	-46.7	0	0	0	0	110.7	D159 D160 K162 C189 S303 T306	D159-C301 WeakPolarHBondContact O-CB 3.37Å; D160-C301 VanDerWaalsContact OD1-CB 3.31Å; D160-C301 WeakPolarHBondContact OD1-CB 3.22Å; D160-C301 PolarHBondContact OD1-SG 3.38Å; K162-C301 WeakPolarHBondContact CE-SG 3.21Å; C189-C301 HydrophobicContact CB-CB 3.71Å; C189-C301 WeakPolarHBondContact CB-SG 3.07Å; C189-C301 WeakPolarHBondContact SG-CA 3.46Å; C189-C301 WeakPolarHBondContact SG-CB 3.27Å; C189-C301 PolarHBondContact SG-N 2.9Å; C189-C301 CovalentContact SG-SG 2.03Å; C189-C301 PolarHBondContact SG-SG 3.36Å; C301-S303 PolarHBondContact O-N 3.26Å; C301-S303 VanDerWaalsContact O-N 3.08Å; C301-S303 PolarHBondContact O-OG 2.95Å; C301-T306 VanDerWaalsContact O-CB 3.27Å; C301-T306 WeakPolarHBondContact O-CB 3.37Å; C301-T306 PolarHBondContact O-OG1 3.14Å
302	P	95.6	Very high	91.1	Very high	4 Å²	4	67.4 Å²	67.4	3%	0.026	34%	0.34	C	S	.	.	S	Bend	trans	-64.1	109.7	165.6	26.9	-31	0	0	0	108.2	N191 F313 T316 F319	N191-P302 PolarHBondContact ND2-O 3.3Å; N191-P302 WeakPolarHBondContact OD1-CD 3.32Å; P302-F313 HydrophobicContact CB-CB 4.43Å; P302-T316 HydrophobicContact CG-CG2 3.95Å; P302-F319 HydrophobicContact CB-CE1 4.34Å; P302-F319 HydrophobicContact CB-CZ 4.29Å
303	S	94.1	Very high	91.1	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.021	30%	0.302	C	S	.	.	S	Bend	trans	-157.2	173.4	-169.8	73.2	0	0	0	0	110.4	D157 C301 I305 T306 N307	D157-S303 WeakPolarHBondContact OD2-CB 3.34Å; C301-S303 PolarHBondContact O-N 3.26Å; C301-S303 VanDerWaalsContact O-N 3.08Å; C301-S303 PolarHBondContact O-OG 2.95Å; S303-I305 PolarHBondContact O-N 2.96Å; S303-I305 PolarHBondContact OG-N 3.42Å; S303-T306 PolarHBondContact O-N 3.13Å; S303-T306 PolarHBondContact OG-N 3.43Å; S303-T306 PolarHBondContact OG-OG1 3.06Å; S303-N307 WeakPolarHBondContact O-CB 3.49Å; S303-N307 PolarHBondContact O-N 3.16Å; S303-N307 PolarHBondContact O-ND2 2.77Å
304	K	91.1	Very high	90.9	Very high	162 Å²	162	58 Å²	58	70%	0.704	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.2	177.6	-64.3	173.4	-174	169.9	0	112.9	D157	D157-K304 VanDerWaalsContact OD2-CB 3.3Å; D157-K304 WeakPolarHBondContact OD2-CB 3.49Å; D157-K304 WeakPolarHBondContact OD2-CG 3.34Å; D157-K304 PolarHBondContact OD2-N 3.43Å
305	I	87.6	Confident	90.9	Very high	108 Å²	108	58 Å²	58	55%	0.554	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-37.9	179.8	-66	164.6	0	0	0	110.8	N155 S303	N155-I305 HydrophobicContact CB-CD1 4.15Å; N155-I305 WeakPolarHBondContact ND2-CD1 3.42Å; N155-I305 WeakPolarHBondContact OD1-CD1 3.4Å; S303-I305 PolarHBondContact O-N 2.96Å; S303-I305 PolarHBondContact OG-N 3.42Å
306	T	90.2	Very high	91.1	Very high	13 Å²	13	54.5 Å²	54.5	8%	0.08	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-33.6	178.2	-59.8	0	0	0	0	111.3	Y295 P296 V300 C301 S303 Q308 F313	Y295-T306 PolarHBondContact OH-O 2.93Å; P296-T306 HydrophobicContact CB-CG2 3.59Å; P296-T306 HydrophobicContact CG-CG2 4.41Å; V300-T306 HydrophobicContact CG2-CG2 3.68Å; C301-T306 VanDerWaalsContact O-CB 3.27Å; C301-T306 WeakPolarHBondContact O-CB 3.37Å; C301-T306 PolarHBondContact O-OG1 3.14Å; S303-T306 PolarHBondContact O-N 3.13Å; S303-T306 PolarHBondContact OG-N 3.43Å; S303-T306 PolarHBondContact OG-OG1 3.06Å; T306-Q308 PolarHBondContact O-N 3.15Å; T306-F313 HydrophobicContact CG2-CD2 4.27Å
307	N	89.1	Confident	91.1	Very high	52 Å²	52	59 Å²	59	28%	0.278	33%	0.331	S	S	.	.			trans	-70	125.5	-179.1	-70.1	-16.9	0	0	0	111.7	S303 E312 F313	S303-N307 WeakPolarHBondContact O-CB 3.49Å; S303-N307 PolarHBondContact O-N 3.16Å; S303-N307 PolarHBondContact O-ND2 2.77Å; N307-E312 HydrophobicContact CB-CG 4.43Å; N307-F313 PolarHBondContact OD1-N 3.45Å; N307-F313 PolarHBondContact OD1-O 3.39Å
308	Q	84.8	Confident	91.1	Very high	98 Å²	98	60.1 Å²	60.1	46%	0.458	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-111	155.3	172.6	-75.1	175.9	7.9	0	0	110	Y295 T306 G310 K311	Y295-Q308 WeakPolarHBondContact OH-CG 3.13Å; T306-Q308 PolarHBondContact O-N 3.15Å; Q308-G310 PolarHBondContact O-N 2.75Å; Q308-G310 VanDerWaalsContact O-N 3.09Å; Q308-K311 PolarHBondContact N-O 3.3Å; Q308-K311 VanDerWaalsContact N-O 3.09Å; Q308-K311 CarbonylContact O-C 3.5Å; Q308-K311 VanDerWaalsContact O-C 3.3Å; Q308-K311 PolarHBondContact O-N 3.32Å
309	P	79.4	Confident	91	Very high	133 Å²	133	60.5 Å²	60.5	86%	0.864	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	119.6	174.3	-25.9	34.5	0	0	0	111.6	K311	P309-K311 VanDerWaalsContact C-N 3.34Å
310	G	77.9	Confident	91	Very high	78 Å²	78	62.8 Å²	62.8	80%	0.804	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	2.3	-177.7	0	0	0	0	0	115.9	Q308	Q308-G310 PolarHBondContact O-N 2.75Å; Q308-G310 VanDerWaalsContact O-N 3.09Å
311	K	81.9	Confident	91	Very high	116 Å²	116	64.3 Å²	64.3	50%	0.504	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-140.3	81.4	173.3	-67.5	-175.9	-175.5	174.7	0	109.7	Y295 Q308 P309 F313	Y295-K311 HydrophobicContact CD1-CD 4.11Å; Y295-K311 HydrophobicContact CE1-CB 4.17Å; Y295-K311 HydrophobicContact CE1-CD 3.81Å; Q308-K311 PolarHBondContact N-O 3.3Å; Q308-K311 VanDerWaalsContact N-O 3.09Å; Q308-K311 CarbonylContact O-C 3.5Å; Q308-K311 VanDerWaalsContact O-C 3.3Å; Q308-K311 PolarHBondContact O-N 3.32Å; P309-K311 VanDerWaalsContact C-N 3.34Å; K311-F313 HydrophobicContact CB-CE2 4.5Å
312	E	88	Confident	90.9	Very high	152 Å²	152	68.1 Å²	68.1	71%	0.71	39%	0.391	S	S	*	.			trans	-102.4	134.5	178.6	-64.2	177.1	-169.9	0	0	109.9	N307	N307-E312 HydrophobicContact CB-CG 4.43Å
313	F	92.3	Very high	90.9	Very high	22 Å²	22	68 Å²	68	10%	0.096	39%	0.39	C	S	.	.			trans	-117.6	108.8	174.3	-55.7	-76	0	0	0	107.8	Y295 P296 P302 T306 N307 K311 S315 D318 F319	Y295-F313 HydrophobicContact CD1-CE2 4.44Å; Y295-F313 AromaticContact CE1-CE2 3.82Å; Y295-F313 HydrophobicContact CE1-CE2 3.82Å; Y295-F313 HydrophobicContact CE1-CZ 4.28Å; P296-F313 HydrophobicContact CB-CD2 4.43Å; P296-F313 HydrophobicContact CB-CE2 4.14Å; P296-F313 VanDerWaalsContact CD-CZ 3.46Å; P296-F313 HydrophobicContact CG-CD2 4.06Å; P296-F313 HydrophobicContact CG-CE1 4.48Å; P296-F313 HydrophobicContact CG-CE2 3.82Å; P296-F313 HydrophobicContact CG-CZ 4.07Å; P302-F313 HydrophobicContact CB-CB 4.43Å; T306-F313 HydrophobicContact CG2-CD2 4.27Å; N307-F313 PolarHBondContact OD1-N 3.45Å; N307-F313 PolarHBondContact OD1-O 3.39Å; K311-F313 HydrophobicContact CB-CE2 4.5Å; F313-S315 VanDerWaalsContact C-N 3.32Å; F313-D318 HydrophobicContact CB-CB 4.49Å; F313-D318 HydrophobicContact CD1-CB 4Å; F313-D318 WeakPolarHBondContact CD1-O 3.45Å; F313-F319 HydrophobicContact CB-CD1 4.04Å; F313-F319 HydrophobicContact CB-CE1 3.7Å; F313-F319 AromaticContact CD1-CD1 3.75Å; F313-F319 HydrophobicContact CD1-CD1 3.75Å; F313-F319 HydrophobicContact CD1-CE1 4.21Å; F313-F319 HydrophobicContact CD2-CE1 4.28Å; F313-F319 HydrophobicContact CE1-CD1 4.39Å; F313-F319 AromaticContact CG-CD1 3.83Å; F313-F319 HydrophobicContact CG-CD1 3.83Å; F313-F319 AromaticContact CG-CE1 3.79Å; F313-F319 HydrophobicContact CG-CE1 3.79Å
314	G	91.6	Very high	91.1	Very high	72 Å²	72	67.9 Å²	67.9	74%	0.742	39%	0.389	S	S	*	.	S	Bend	trans	-79.2	-21.9	175.9	0	0	0	0	0	112.1	D318	G314-D318 PolarHBondContact N-OD2 2.95Å
315	S	94.9	Very high	91.3	Very high	30 Å²	30	64.8 Å²	64.8	21%	0.21	38%	0.377	C	S	.	.	S	Bend	trans	-151.5	160.3	-179.1	-175.9	0	0	0	0	111.6	V193 F313 K317 D318	V193-S315 WeakPolarHBondContact CG2-OG 3.3Å; F313-S315 VanDerWaalsContact C-N 3.32Å; S315-K317 PolarHBondContact O-N 3.38Å; S315-K317 VanDerWaalsContact O-N 3.15Å; S315-K317 PolarHBondContact OG-N 2.76Å; S315-D318 PolarHBondContact N-OD2 3.12Å; S315-D318 WeakPolarHBondContact O-CB 3.1Å; S315-D318 PolarHBondContact O-N 3.12Å
316	T	96.4	Very high	91.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-61.1	-18.7	169.3	54.8	0	0	0	0	112.9	D192 V193 G194 S204 T205 P302 D318 F319	D192-T316 HydrophobicContact CB-CG2 4.32Å; D192-T316 PolarHBondContact OD1-OG1 3.47Å; V193-T316 VanDerWaalsContact CG2-OG1 3.31Å; V193-T316 WeakPolarHBondContact CG2-OG1 3.23Å; V193-T316 PolarHBondContact N-OG1 3.31Å; V193-T316 VanDerWaalsContact N-OG1 3.08Å; G194-T316 PolarHBondContact N-OG1 2.99Å; G194-T316 CarbonylContact O-C 3.04Å; G194-T316 WeakPolarHBondContact O-CB 3.38Å; G194-T316 PolarHBondContact O-OG1 3.43Å; S204-T316 VanDerWaalsContact OG-CB 3.32Å; S204-T316 WeakPolarHBondContact OG-CB 3.13Å; S204-T316 WeakPolarHBondContact OG-CG2 3.33Å; T205-T316 HydrophobicContact CG2-CG2 4.06Å; P302-T316 HydrophobicContact CG-CG2 3.95Å; T316-D318 PolarHBondContact O-N 3.47Å; T316-F319 HydrophobicContact CG2-CD2 4.22Å; T316-F319 HydrophobicContact CG2-CE2 3.76Å; T316-F319 HydrophobicContact CG2-CZ 4.26Å; T316-F319 WeakPolarHBondContact O-CB 3.36Å; T316-F319 PolarHBondContact O-N 3.42Å
317	K	95.8	Very high	92	Very high	96 Å²	96	60.2 Å²	60.2	42%	0.417	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-65.8	-25	171.3	-71.2	-179.3	177.4	-176.9	0	113.2	V193 G194 Q196 S315 F319	V193-K317 HydrophobicContact CG2-CD 4.42Å; V193-K317 HydrophobicContact CG2-CG 4.1Å; G194-K317 PolarHBondContact O-N 3.26Å; Q196-K317 HydrophobicContact CB-CB 4.3Å; Q196-K317 WeakPolarHBondContact CB-O 3.23Å; S315-K317 PolarHBondContact O-N 3.38Å; S315-K317 VanDerWaalsContact O-N 3.15Å; S315-K317 PolarHBondContact OG-N 2.76Å; K317-F319 VanDerWaalsContact C-N 3.28Å
318	D	95.3	Very high	92.2	Very high	88 Å²	88	62.5 Å²	62.5	47%	0.471	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-83.9	-7.6	179.3	-52	-36.5	0	0	0	111.8	F313 G314 S315 T316	F313-D318 HydrophobicContact CB-CB 4.49Å; F313-D318 HydrophobicContact CD1-CB 4Å; F313-D318 WeakPolarHBondContact CD1-O 3.45Å; G314-D318 PolarHBondContact N-OD2 2.95Å; S315-D318 PolarHBondContact N-OD2 3.12Å; S315-D318 WeakPolarHBondContact O-CB 3.1Å; S315-D318 PolarHBondContact O-N 3.12Å; T316-D318 PolarHBondContact O-N 3.47Å
319	F	96.1	Very high	92.6	Very high	12 Å²	12	60.2 Å²	60.2	5%	0.053	35%	0.353	C	S	.	.	S	Bend	trans	-67.1	136	177.7	-68.6	-10.8	0	0	0	111.1	T205 P296 P302 F313 T316 K317 L324	T205-F319 HydrophobicContact CG2-CE2 4.46Å; P296-F319 HydrophobicContact CB-CE1 4.47Å; P296-F319 HydrophobicContact CG-CD1 3.53Å; P296-F319 HydrophobicContact CG-CE1 3.52Å; P296-F319 HydrophobicContact CG-CG 4.09Å; P296-F319 HydrophobicContact CG-CZ 4.07Å; P302-F319 HydrophobicContact CB-CE1 4.34Å; P302-F319 HydrophobicContact CB-CZ 4.29Å; F313-F319 HydrophobicContact CB-CD1 4.04Å; F313-F319 HydrophobicContact CB-CE1 3.7Å; F313-F319 AromaticContact CD1-CD1 3.75Å; F313-F319 HydrophobicContact CD1-CD1 3.75Å; F313-F319 HydrophobicContact CD1-CE1 4.21Å; F313-F319 HydrophobicContact CD2-CE1 4.28Å; F313-F319 HydrophobicContact CE1-CD1 4.39Å; F313-F319 AromaticContact CG-CD1 3.83Å; F313-F319 HydrophobicContact CG-CD1 3.83Å; F313-F319 AromaticContact CG-CE1 3.79Å; F313-F319 HydrophobicContact CG-CE1 3.79Å; T316-F319 HydrophobicContact CG2-CD2 4.22Å; T316-F319 HydrophobicContact CG2-CE2 3.76Å; T316-F319 HydrophobicContact CG2-CZ 4.26Å; T316-F319 WeakPolarHBondContact O-CB 3.36Å; T316-F319 PolarHBondContact O-N 3.42Å; K317-F319 VanDerWaalsContact C-N 3.28Å; F319-L324 HydrophobicContact CB-CD2 4.05Å; F319-L324 HydrophobicContact CB-CG 4.29Å; F319-L324 HydrophobicContact CD2-CD2 4.32Å
320	P	95.9	Very high	93.3	Very high	51 Å²	51	55 Å²	55	33%	0.331	32%	0.317	S	S	.	.			trans	-58.3	143.9	177.1	-24.5	33.3	0	0	0	113	S322 V323 L324	P320-S322 PolarHBondContact O-N 3.32Å; P320-S322 VanDerWaalsContact O-N 3.07Å; P320-V323 HydrophobicContact CB-CG2 4.23Å; P320-V323 HydrophobicContact CG-CG2 4.22Å; P320-V323 WeakPolarHBondContact O-CB 3.3Å; P320-V323 PolarHBondContact O-N 3.39Å; P320-L324 PolarHBondContact O-N 2.96Å
321	D	95.6	Very high	94.2	Very high	60 Å²	60	51.6 Å²	51.6	32%	0.321	28%	0.281	S	S	.	.	H	α-helix	trans	-55.7	-30.7	178.4	-71.9	-30.9	0	0	0	112.4	R197 V198 L324 Q325	R197-D321 IonicContact NH1-OD2 3.43Å; R197-D321 PolarHBondContact NH1-OD2 3.24Å; V198-D321 HydrophobicContact CG2-CB 4.22Å; D321-L324 PolarHBondContact O-N 3.24Å; D321-Q325 VanDerWaalsContact O-CB 3.31Å; D321-Q325 WeakPolarHBondContact O-CB 3.32Å; D321-Q325 PolarHBondContact O-N 3.48Å
322	S	95.3	Very high	94.9	Very high	80 Å²	80	46.7 Å²	46.7	56%	0.559	26%	0.261	S	S	*	.	H	α-helix	trans	-66.6	-35.7	175.6	57.5	0	0	0	0	113.6	P320 F326	P320-S322 PolarHBondContact O-N 3.32Å; P320-S322 VanDerWaalsContact O-N 3.07Å; S322-F326 WeakPolarHBondContact O-CB 3.42Å; S322-F326 PolarHBondContact O-N 3.3Å; S322-F326 VanDerWaalsContact O-N 3.09Å
323	V	96.6	Very high	95.3	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-45.5	174.5	173.9	0	0	0	0	109.6	P294 Y295 P296 P298 P320 F326 A327	P294-V323 HydrophobicContact CB-CG2 3.82Å; P294-V323 HydrophobicContact CG-CG2 4.46Å; Y295-V323 WeakPolarHBondContact O-CG2 3.37Å; P296-V323 VanDerWaalsContact O-CG1 3.28Å; P296-V323 WeakPolarHBondContact O-CG1 3.44Å; P298-V323 HydrophobicContact CG-CG1 4.14Å; P320-V323 HydrophobicContact CB-CG2 4.23Å; P320-V323 HydrophobicContact CG-CG2 4.22Å; P320-V323 WeakPolarHBondContact O-CB 3.3Å; P320-V323 PolarHBondContact O-N 3.39Å; V323-F326 WeakPolarHBondContact O-CB 3.39Å; V323-F326 PolarHBondContact O-N 2.97Å; V323-A327 PolarHBondContact O-N 3.48Å
324	L	97	Very high	95.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-41.2	-179.1	-60.6	178.6	0	0	0	112.1	V198 L199 F319 P320 D321 F326 A327 R328	V198-L324 HydrophobicContact CB-CB 3.92Å; V198-L324 HydrophobicContact CB-CD1 4.1Å; V198-L324 HydrophobicContact CG1-CB 3.82Å; L199-L324 HydrophobicContact CD1-CB 4.42Å; F319-L324 HydrophobicContact CB-CD2 4.05Å; F319-L324 HydrophobicContact CB-CG 4.29Å; F319-L324 HydrophobicContact CD2-CD2 4.32Å; P320-L324 PolarHBondContact O-N 2.96Å; D321-L324 PolarHBondContact O-N 3.24Å; L324-F326 VanDerWaalsContact C-N 3.32Å; L324-F326 PolarHBondContact O-N 3.2Å; L324-A327 PolarHBondContact O-N 3.27Å; L324-R328 WeakPolarHBondContact O-CB 3.33Å; L324-R328 PolarHBondContact O-N 3.48Å
325	Q	95.8	Very high	95.7	Very high	96 Å²	96	46.5 Å²	46.5	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-65.8	-36.1	175.2	-173	63.7	18.3	0	0	111.8	D321 S329	D321-Q325 VanDerWaalsContact O-CB 3.31Å; D321-Q325 WeakPolarHBondContact O-CB 3.32Å; D321-Q325 PolarHBondContact O-N 3.48Å; Q325-S329 PolarHBondContact O-N 3.03Å; Q325-S329 PolarHBondContact O-OG 3.26Å
326	F	96.1	Very high	95.8	Very high	18 Å²	18	48 Å²	48	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-51.3	172.3	-170.9	-75.1	0	0	0	110.8	F276 Y289 M293 P294 P298 S322 V323 L324 R328 S329 H330	F276-F326 HydrophobicContact CB-CE1 4.31Å; F276-F326 HydrophobicContact CB-CZ 4.34Å; F276-F326 HydrophobicContact CD1-CE1 4.23Å; F276-F326 AromaticContact CD2-CE1 3.73Å; F276-F326 HydrophobicContact CD2-CE1 3.73Å; F276-F326 HydrophobicContact CD2-CZ 4.14Å; F276-F326 HydrophobicContact CE2-CE1 4.07Å; F276-F326 AromaticContact CG-CE1 3.82Å; F276-F326 HydrophobicContact CG-CE1 3.82Å; F276-F326 HydrophobicContact CG-CZ 4.26Å; F276-F326 HydrophobicContact CZ-CE1 4.46Å; Y289-F326 HydrophobicContact CD1-CE2 4.06Å; Y289-F326 AromaticContact CD1-CZ 3.92Å; Y289-F326 HydrophobicContact CD1-CZ 3.92Å; Y289-F326 HydrophobicContact CD2-CE2 4.41Å; Y289-F326 AromaticContact CE1-CE2 3.64Å; Y289-F326 HydrophobicContact CE1-CE2 3.64Å; Y289-F326 AromaticContact CE1-CZ 3.97Å; Y289-F326 HydrophobicContact CE1-CZ 3.97Å; Y289-F326 HydrophobicContact CE2-CE2 4.05Å; Y289-F326 HydrophobicContact CG-CE2 4.42Å; Y289-F326 HydrophobicContact CG-CZ 4.2Å; Y289-F326 AromaticContact CZ-CE2 3.64Å; M293-F326 HydrophobicContact CE-CD1 3.61Å; M293-F326 HydrophobicContact CE-CD2 4.27Å; M293-F326 HydrophobicContact CE-CE1 3.22Å; M293-F326 HydrophobicContact CE-CE2 3.94Å; M293-F326 HydrophobicContact CE-CG 4.12Å; M293-F326 HydrophobicContact CE-CZ 3.41Å; M293-F326 VanDerWaalsContact CE-CZ 3.41Å; P294-F326 HydrophobicContact CG-CB 3.9Å; P294-F326 HydrophobicContact CG-CD2 4.12Å; P294-F326 HydrophobicContact CG-CG 3.95Å; P298-F326 HydrophobicContact CB-CD1 4.06Å; P298-F326 HydrophobicContact CG-CB 4.19Å; P298-F326 HydrophobicContact CG-CD1 3.51Å; P298-F326 HydrophobicContact CG-CE1 4.25Å; P298-F326 HydrophobicContact CG-CG 4.09Å; S322-F326 WeakPolarHBondContact O-CB 3.42Å; S322-F326 PolarHBondContact O-N 3.3Å; S322-F326 VanDerWaalsContact O-N 3.09Å; V323-F326 WeakPolarHBondContact O-CB 3.39Å; V323-F326 PolarHBondContact O-N 2.97Å; L324-F326 VanDerWaalsContact C-N 3.32Å; L324-F326 PolarHBondContact O-N 3.2Å; F326-R328 VanDerWaalsContact C-N 3.27Å; F326-R328 PolarHBondContact O-N 2.96Å; F326-S329 PolarHBondContact O-N 3.16Å; F326-S329 PolarHBondContact O-OG 3Å; F326-S329 VanDerWaalsContact O-OG 3.05Å; F326-H330 HydrophobicContact CD1-CB 3.95Å; F326-H330 AromaticContact CD1-ND1 4Å; F326-H330 AromaticContact CD2-ND1 3.95Å; F326-H330 HydrophobicContact CE1-CB 3.51Å; F326-H330 AromaticContact CE1-CG 3.71Å; F326-H330 AromaticContact CE1-ND1 3.94Å; F326-H330 AromaticContact CE2-ND1 3.88Å; F326-H330 HydrophobicContact CZ-CB 4.01Å; F326-H330 AromaticContact CZ-CG 3.73Å; F326-H330 AromaticContact CZ-ND1 3.88Å; F326-H330 WeakPolarHBondContact O-CB 3.27Å; F326-H330 PolarHBondContact O-N 3.1Å; F326-H330 PolarHBondContact O-ND1 3.31Å
327	A	95.5	Very high	95.9	Very high	8 Å²	8	48 Å²	48	7%	0.066	24%	0.24	C	C	.	.	H	α-helix	trans	-55.2	-43.5	179.3	0	0	0	0	0	111.9	P298 V323 L324 S329	P298-A327 HydrophobicContact CB-CB 4.05Å; V323-A327 PolarHBondContact O-N 3.48Å; L324-A327 PolarHBondContact O-N 3.27Å; A327-S329 VanDerWaalsContact C-N 3.33Å; A327-S329 PolarHBondContact O-N 2.68Å
328	R	94.5	Very high	96	Very high	99 Å²	99	46.7 Å²	46.7	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-39.6	176.5	-170.8	178.3	-170.3	-161.4	0.7	113.2	E135 L199 L324 F326	E135-R328 IonicContact OE1-CZ 3.52Å; E135-R328 VanDerWaalsContact OE1-CZ 3.32Å; E135-R328 IonicContact OE1-NE 2.72Å; E135-R328 PolarHBondContact OE1-NE 2.89Å; E135-R328 IonicContact OE1-NH2 3.68Å; E135-R328 PolarHBondContact OE1-NH2 3.46Å; E135-R328 WeakPolarHBondContact OE2-CD 3.45Å; E135-R328 WeakPolarHBondContact OE2-CG 3.29Å; E135-R328 IonicContact OE2-CZ 2.7Å; E135-R328 IonicContact OE2-NE 3.04Å; E135-R328 PolarHBondContact OE2-NE 2.77Å; E135-R328 IonicContact OE2-NH2 3.95Å; L199-R328 HydrophobicContact CD1-CB 4.3Å; L199-R328 HydrophobicContact CD2-CG 4.28Å; L324-R328 WeakPolarHBondContact O-CB 3.33Å; L324-R328 PolarHBondContact O-N 3.48Å; F326-R328 VanDerWaalsContact C-N 3.27Å; F326-R328 PolarHBondContact O-N 2.96Å
329	S	92.8	Very high	96.1	Very high	50 Å²	50	42.7 Å²	42.7	35%	0.35	22%	0.216	S	C	.	.	H	α-helix	trans	-88.5	-20.1	-175.8	48.7	0	0	0	0	114	Q325 F326 A327 P331	Q325-S329 PolarHBondContact O-N 3.03Å; Q325-S329 PolarHBondContact O-OG 3.26Å; F326-S329 PolarHBondContact O-N 3.16Å; F326-S329 PolarHBondContact O-OG 3Å; F326-S329 VanDerWaalsContact O-OG 3.05Å; A327-S329 VanDerWaalsContact C-N 3.33Å; A327-S329 PolarHBondContact O-N 2.68Å; S329-P331 VanDerWaalsContact C-CD 3.46Å
330	H	94.4	Very high	95.9	Very high	23 Å²	23	43.4 Å²	43.4	11%	0.106	22%	0.224	C	C	.	.			trans	-129.2	64.8	-174.8	-58.4	81.6	0	0	0	112.1	F276 H278 F326 L332	F276-H330 HydrophobicContact CB-CB 4.28Å; F276-H330 HydrophobicContact CD1-CB 4.07Å; F276-H330 WeakPolarHBondContact CD1-O 3.27Å; F276-H330 VanDerWaalsContact CE1-O 3.3Å; F276-H330 WeakPolarHBondContact CE1-O 3.32Å; F276-H330 HydrophobicContact CG-CB 4.34Å; H278-H330 AromaticContact CE1-NE2 3.6Å; H278-H330 AromaticContact CG-NE2 3.91Å; H278-H330 AromaticContact ND1-CD2 3.6Å; H278-H330 AromaticContact ND1-NE2 2.86Å; H278-H330 PolarHBondContact ND1-NE2 2.91Å; F326-H330 HydrophobicContact CD1-CB 3.95Å; F326-H330 AromaticContact CD1-ND1 4Å; F326-H330 AromaticContact CD2-ND1 3.95Å; F326-H330 HydrophobicContact CE1-CB 3.51Å; F326-H330 AromaticContact CE1-CG 3.71Å; F326-H330 AromaticContact CE1-ND1 3.94Å; F326-H330 AromaticContact CE2-ND1 3.88Å; F326-H330 HydrophobicContact CZ-CB 4.01Å; F326-H330 AromaticContact CZ-CG 3.73Å; F326-H330 AromaticContact CZ-ND1 3.88Å; F326-H330 WeakPolarHBondContact O-CB 3.27Å; F326-H330 PolarHBondContact O-N 3.1Å; F326-H330 PolarHBondContact O-ND1 3.31Å; H330-L332 VanDerWaalsContact C-N 3.31Å; H330-L332 PolarHBondContact O-N 2.78Å
331	P	95.4	Very high	95.6	Very high	7 Å²	7	44.5 Å²	44.5	5%	0.045	23%	0.227	C	C	.	.			trans	-75.5	-18.4	178.6	30.5	-35.7	0	0	0	113.3	K139 L140 I207 K208 S329	K139-P331 HydrophobicContact CB-CG 4.49Å; K139-P331 WeakPolarHBondContact O-CG 3.44Å; L140-P331 HydrophobicContact CD1-CG 4.36Å; L140-P331 HydrophobicContact CG-CB 4.44Å; I207-P331 CarbonylContact C-O 3.57Å; I207-P331 VanDerWaalsContact CA-O 3.3Å; I207-P331 WeakPolarHBondContact CA-O 3.35Å; K208-P331 PolarHBondContact N-O 3.18Å; S329-P331 VanDerWaalsContact C-CD 3.46Å
332	L	96.6	Very high	95.4	Very high	14 Å²	14	50.9 Å²	50.9	7%	0.073	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-97.5	134.3	-172.2	179.6	63.9	0	0	0	112	K208 A277 W286 H330	K208-L332 HydrophobicContact CG-CD1 4.09Å; K208-L332 CarbonylContact O-C 3.56Å; K208-L332 WeakPolarHBondContact O-CA 3.31Å; A277-L332 HydrophobicContact CB-CB 4.14Å; A277-L332 HydrophobicContact CB-CD2 3.9Å; A277-L332 HydrophobicContact CB-CG 3.81Å; A277-L332 PolarHBondContact N-O 2.78Å; W286-L332 HydrophobicContact CZ3-CD2 4.46Å; H330-L332 VanDerWaalsContact C-N 3.31Å; H330-L332 PolarHBondContact O-N 2.78Å
333	M	97.7	Very high	95.2	Very high	5 Å²	5	49 Å²	49	3%	0.025	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-83.4	142.4	169.9	-52.8	-48.9	-59.5	0	0	111	I207 K208 A209 A271 F272 G274 F276	I207-M333 HydrophobicContact CB-SD 4.34Å; I207-M333 HydrophobicContact CD1-SD 4.08Å; K208-M333 WeakPolarHBondContact O-CG 2.98Å; K208-M333 PolarHBondContact O-N 2.59Å; A209-M333 HydrophobicContact CB-CB 3.95Å; A209-M333 HydrophobicContact CB-CG 4.05Å; A271-M333 WeakPolarHBondContact O-CE 3.36Å; F272-M333 HydrophobicContact CD1-CG 3.74Å; F272-M333 HydrophobicContact CD1-SD 4.37Å; F272-M333 HydrophobicContact CE1-CG 4.25Å; F272-M333 WeakPolarHBondContact O-CE 3.33Å; G274-M333 WeakPolarHBondContact O-CE 3.44Å; F276-M333 HydrophobicContact CD1-CE 4.22Å; F276-M333 HydrophobicContact CD1-SD 3.71Å; F276-M333 HydrophobicContact CD2-CE 4.42Å; F276-M333 HydrophobicContact CE1-CE 4.21Å; F276-M333 HydrophobicContact CE1-SD 3.53Å; F276-M333 VanDerWaalsContact CE1-SD 3.53Å; F276-M333 HydrophobicContact CE2-CE 4.39Å; F276-M333 HydrophobicContact CG-CE 4.34Å; F276-M333 HydrophobicContact CG-SD 4.4Å; F276-M333 HydrophobicContact CZ-CE 4.29Å; F276-M333 HydrophobicContact CZ-SD 4.06Å
334	W	95.5	Very high	95.1	Very high	116 Å²	116	49.3 Å²	49.3	44%	0.439	23%	0.231	S	C	.	.	S	Bend	trans	-75	-42	179.1	174.9	-108.7	0	0	0	112.7	P275 A277 W286 P288	P275-W334 HydrophobicContact CG-CB 4.15Å; P275-W334 HydrophobicContact CG-CG 4.49Å; P275-W334 WeakPolarHBondContact O-CB 3.21Å; P275-W334 PolarHBondContact O-N 2.78Å; A277-W334 HydrophobicContact CB-CB 4.31Å; A277-W334 HydrophobicContact CB-CE3 4.22Å; W286-W334 HydrophobicContact CB-CZ3 4.19Å; W286-W334 WeakPolarHBondContact O-CH2 3.23Å; P288-W334 HydrophobicContact CB-CB 4.47Å; P288-W334 HydrophobicContact CB-CD2 4.37Å; P288-W334 HydrophobicContact CB-CG 3.93Å
335	R	96.8	Very high	94.9	Very high	120 Å²	120	50 Å²	50	45%	0.453	24%	0.235	S	C	.	.	S	Bend	trans	-75.6	128.1	-179.8	-70.5	-176.8	-175.8	-175.3	2.2	110.3	E270 P275	E270-R335 IonicContact OE1-NH1 2.87Å; P275-R335 HydrophobicContact CG-CG 4.44Å
336	P	96.9	Very high	94.9	Very high	61 Å²	61	45.5 Å²	45.5	40%	0.396	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-74.8	160.7	170.8	32.6	-34.4	0	0	0	111	R210 V212	R210-P336 HydrophobicContact CB-CB 4.22Å; R210-P336 CarbonylContact O-C 3.52Å; R210-P336 WeakPolarHBondContact O-CA 3.48Å; V212-P336 HydrophobicContact CG2-CB 3.65Å; V212-P336 HydrophobicContact CG2-CG 4.49Å
337	V	98.5	Very high	94.8	Very high	2 Å²	2	47 Å²	47	1%	0.012	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-92	120.2	166.2	-176.1	0	0	0	0	108	V185 A209 R210 L211 V212 Y263 D267 I268 A271	V185-V337 HydrophobicContact CG1-CG2 4.21Å; A209-V337 HydrophobicContact CB-CG2 4.27Å; R210-V337 PolarHBondContact O-N 3.42Å; L211-V337 HydrophobicContact CD1-CB 3.71Å; L211-V337 HydrophobicContact CD1-CG1 3.67Å; V212-V337 PolarHBondContact N-O 2.73Å; Y263-V337 HydrophobicContact CD1-CG1 3.81Å; Y263-V337 HydrophobicContact CE1-CG1 4.48Å; D267-V337 HydrophobicContact CB-CG1 4.45Å; I268-V337 HydrophobicContact CG1-CG1 3.64Å; I268-V337 HydrophobicContact CG1-CG2 4.25Å; A271-V337 HydrophobicContact CB-CG2 3.54Å
338	L	97.6	Very high	94.6	Very high	67 Å²	67	48.3 Å²	48.3	35%	0.351	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-96	154.5	175.9	-62.9	178.4	0	0	0	110.2	V212 Y263	V212-L338 HydrophobicContact CB-CD2 4.04Å; V212-L338 HydrophobicContact CG1-CD2 4.13Å; Y263-L338 WeakPolarHBondContact CD1-O 3.19Å
339	P	96.4	Very high	94.5	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.032	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-69.2	157.8	176.8	30.1	-31.7	0	0	0	110.2	V212 C261 V262 Y263 L341 R342	V212-P339 WeakPolarHBondContact O-CD 3.25Å; C261-P339 HydrophobicContact CB-CB 3.99Å; V262-P339 CarbonylContact O-C 3.51Å; V262-P339 VanDerWaalsContact O-CA 3.28Å; V262-P339 WeakPolarHBondContact O-CA 3.37Å; V262-P339 WeakPolarHBondContact O-CB 3.27Å; Y263-P339 HydrophobicContact CD1-CB 4.29Å; Y263-P339 HydrophobicContact CE1-CB 3.98Å; P339-L341 PolarHBondContact O-N 2.91Å; P339-R342 WeakPolarHBondContact O-CA 3.24Å; P339-R342 PolarHBondContact O-N 2.94Å
340	A	93.1	Very high	94.1	Very high	27 Å²	27	51.1 Å²	51.1	22%	0.223	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.7	-171.8	0	0	0	0	0	113.7	V262 R264	V262-A340 PolarHBondContact O-N 2.82Å; R264-A340 HydrophobicContact CG-CB 4.05Å
341	L	89.1	Confident	93.9	Very high	74 Å²	74	51.5 Å²	51.5	39%	0.387	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	10.3	178	-59.3	178.7	0	0	0	113	P339 Q343 V345	P339-L341 PolarHBondContact O-N 2.91Å; L341-Q343 HydrophobicContact CB-CG 4.22Å; L341-Q343 PolarHBondContact O-N 3.01Å; L341-V345 HydrophobicContact CD1-CG1 4.48Å
342	R	91.1	Very high	93.7	Very high	193 Å²	193	56.9 Å²	56.9	73%	0.728	29%	0.293	S	S	*	.	S	Bend	trans	56	13.2	-172.6	-59.8	-170.3	173.6	-163.4	-1	115.4	P339	P339-R342 WeakPolarHBondContact O-CA 3.24Å; P339-R342 PolarHBondContact O-N 2.94Å
343	Q	91.1	Very high	93.5	Very high	40 Å²	40	57.6 Å²	57.6	19%	0.187	30%	0.295	C	S	.	.	S	Bend	trans	-149.4	166.1	175.2	68.5	-171	10	0	0	110	L341 L394	L341-Q343 HydrophobicContact CB-CG 4.22Å; L341-Q343 PolarHBondContact O-N 3.01Å; Q343-L394 PolarHBondContact NE2-O 2.81Å
344	P	94.6	Very high	93.4	Very high	11 Å²	11	61 Å²	61	7%	0.071	31%	0.31	C	S	.	.			trans	-69.3	153.5	175.1	-15.7	32.1	0	0	0	112.2	S214 V215 A259 V260 V347	S214-P344 WeakPolarHBondContact O-CD 3.26Å; V215-P344 HydrophobicContact CG2-CG 3.77Å; A259-P344 HydrophobicContact CB-CB 3.97Å; A259-P344 HydrophobicContact CB-CG 3.99Å; V260-P344 CarbonylContact O-C 3.52Å; V260-P344 VanDerWaalsContact O-CA 3.3Å; V260-P344 WeakPolarHBondContact O-CA 3.42Å; V260-P344 WeakPolarHBondContact O-CB 3.34Å; P344-V347 HydrophobicContact CB-CG2 3.81Å; P344-V347 HydrophobicContact CG-CG2 3.92Å
345	V	93.8	Very high	93.5	Very high	15 Å²	15	55.5 Å²	55.5	9%	0.091	29%	0.289	C	S	.	.	S	Bend	trans	-88	-14.5	172.6	-62.6	0	0	0	0	113	V260 V262 L341 M373 S387	V260-V345 HydrophobicContact CB-CG2 4Å; V260-V345 HydrophobicContact CG1-CG2 3.87Å; V260-V345 WeakPolarHBondContact O-CG2 3.25Å; V260-V345 PolarHBondContact O-N 3.06Å; V262-V345 HydrophobicContact CG2-CB 4.47Å; V262-V345 HydrophobicContact CG2-CG1 3.77Å; V262-V345 HydrophobicContact CG2-CG2 3.83Å; L341-V345 HydrophobicContact CD1-CG1 4.48Å; V345-M373 HydrophobicContact CG2-CE 4.4Å; V345-M373 HydrophobicContact CG2-SD 4.06Å; V345-S387 WeakPolarHBondContact O-CB 3.23Å; V345-S387 PolarHBondContact O-OG 2.7Å
346	L	94.5	Very high	93.5	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	135.1	177.7	-178.6	63.6	0	0	0	108.5	A259 V260 K348 M373 I375 V385 E398	A259-L346 CarbonylContact C-O 3.47Å; A259-L346 WeakPolarHBondContact CA-O 3.31Å; V260-L346 HydrophobicContact CB-CB 3.89Å; V260-L346 HydrophobicContact CG2-CB 3.97Å; V260-L346 HydrophobicContact CG2-CD2 3.81Å; V260-L346 HydrophobicContact CG2-CG 4.36Å; V260-L346 PolarHBondContact N-O 2.74Å; L346-K348 HydrophobicContact CD1-CD 4.39Å; L346-K348 HydrophobicContact CD1-CG 4.37Å; L346-K348 HydrophobicContact CG-CG 4.38Å; L346-M373 HydrophobicContact CB-CE 4.48Å; L346-I375 HydrophobicContact CD2-CD1 3.31Å; L346-V385 HydrophobicContact CD1-CG1 3.99Å; L346-V385 HydrophobicContact CD2-CG1 4.46Å; L346-E398 WeakPolarHBondContact CA-OE1 3.46Å; L346-E398 HydrophobicContact CD1-CB 4.25Å; L346-E398 HydrophobicContact CD1-CG 3.91Å; L346-E398 VanDerWaalsContact CD1-OE2 3.23Å; L346-E398 WeakPolarHBondContact CD1-OE2 3.21Å
347	V	94.1	Very high	93.5	Very high	49 Å²	49	51.8 Å²	51.8	30%	0.297	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120.4	173	-176.8	0	0	0	0	108.8	V215 F225 F258 P344 E398	V215-V347 HydrophobicContact CG2-CG2 3.73Å; F225-V347 HydrophobicContact CZ-CG1 4.1Å; F258-V347 CarbonylContact O-C 3.59Å; F258-V347 WeakPolarHBondContact O-CA 3.31Å; P344-V347 HydrophobicContact CB-CG2 3.81Å; P344-V347 HydrophobicContact CG-CG2 3.92Å; V347-E398 PolarHBondContact N-OE1 3.12Å
348	K	92.9	Very high	93.5	Very high	36 Å²	36	51.8 Å²	51.8	16%	0.157	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.1	174.2	-63.4	-61.8	-178.4	-148.9	0	109.6	G257 F258 L346 I351 L355 E398	G257-K348 CarbonylContact C-O 3.56Å; G257-K348 WeakPolarHBondContact CA-O 3.36Å; F258-K348 PolarHBondContact N-O 3.17Å; F258-K348 PolarHBondContact O-N 2.87Å; L346-K348 HydrophobicContact CD1-CD 4.39Å; L346-K348 HydrophobicContact CD1-CG 4.37Å; L346-K348 HydrophobicContact CG-CG 4.38Å; K348-I351 HydrophobicContact CB-CD1 3.66Å; K348-I351 HydrophobicContact CB-CG1 4.21Å; K348-I351 HydrophobicContact CB-CG2 4.17Å; K348-I351 HydrophobicContact CG-CD1 4.46Å; K348-L355 HydrophobicContact CG-CD1 4.44Å; K348-E398 IonicContact NZ-OE2 3.5Å; K348-E398 PolarHBondContact NZ-OE2 2.92Å
349	A	91.1	Very high	93.6	Very high	62 Å²	62	48.8 Å²	48.8	51%	0.512	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150.1	175.7	0	0	0	0	0	110.1	I351	A349-I351 PolarHBondContact O-N 3.37Å
350	N	85.8	Confident	93.7	Very high	145 Å²	145	48.7 Å²	48.7	78%	0.775	25%	0.254	S	S	*	.	S	Bend	trans	56.7	30	176.6	-56.9	-29	0	0	0	114.5	Q256	Q256-N350 PolarHBondContact O-N 3.46Å
351	I	89.8	Confident	93.9	Very high	32 Å²	32	48 Å²	48	16%	0.164	25%	0.247	C	C	.	.			trans	-84.8	147.8	174.6	49.4	165.2	0	0	0	110.8	F258 K348 A349 Y353 L355	F258-I351 HydrophobicContact CD2-CD1 4.03Å; F258-I351 HydrophobicContact CD2-CG1 4.5Å; K348-I351 HydrophobicContact CB-CD1 3.66Å; K348-I351 HydrophobicContact CB-CG1 4.21Å; K348-I351 HydrophobicContact CB-CG2 4.17Å; K348-I351 HydrophobicContact CG-CD1 4.46Å; A349-I351 PolarHBondContact O-N 3.37Å; I351-Y353 HydrophobicContact CB-CD2 4.4Å; I351-Y353 HydrophobicContact CB-CE2 4.16Å; I351-Y353 HydrophobicContact CD1-CD2 3.67Å; I351-Y353 HydrophobicContact CD1-CE2 3.54Å; I351-Y353 WeakPolarHBondContact CD1-O 3.45Å; I351-Y353 HydrophobicContact CG1-CD2 4.42Å; I351-Y353 HydrophobicContact CG1-CE2 4.39Å; I351-Y353 WeakPolarHBondContact CG1-O 3.37Å; I351-Y353 PolarHBondContact O-N 3.47Å; I351-Y353 VanDerWaalsContact O-N 3.15Å; I351-L355 HydrophobicContact CD1-CD2 4.04Å; I351-L355 HydrophobicContact CD1-CG 4.3Å
352	P	90.4	Very high	94.2	Very high	120 Å²	120	48.5 Å²	48.5	78%	0.779	24%	0.244	S	C	*	.	S	Bend	trans	-78.2	7.5	-176.4	33.2	-36.4	0	0	0	113.8
353	Y	92.8	Very high	94.4	Very high	29 Å²	29	40 Å²	40	11%	0.114	21%	0.213	C	C	.	.	S	Bend	trans	-142.7	163.5	-176.2	50.4	-110.8	0	0	0	110.8	I351 L355 T377 D378 V379 L383	I351-Y353 HydrophobicContact CB-CD2 4.4Å; I351-Y353 HydrophobicContact CB-CE2 4.16Å; I351-Y353 HydrophobicContact CD1-CD2 3.67Å; I351-Y353 HydrophobicContact CD1-CE2 3.54Å; I351-Y353 WeakPolarHBondContact CD1-O 3.45Å; I351-Y353 HydrophobicContact CG1-CD2 4.42Å; I351-Y353 HydrophobicContact CG1-CE2 4.39Å; I351-Y353 WeakPolarHBondContact CG1-O 3.37Å; I351-Y353 PolarHBondContact O-N 3.47Å; I351-Y353 VanDerWaalsContact O-N 3.15Å; Y353-L355 HydrophobicContact CD2-CD2 4.16Å; Y353-L355 HydrophobicContact CE2-CD2 4Å; Y353-T377 HydrophobicContact CD2-CG2 3.58Å; Y353-T377 HydrophobicContact CE2-CG2 3.92Å; Y353-T377 HydrophobicContact CG-CG2 4.09Å; Y353-D378 WeakPolarHBondContact CA-OD1 3.28Å; Y353-D378 WeakPolarHBondContact CB-OD1 3.24Å; Y353-V379 HydrophobicContact CD1-CG2 4.14Å; Y353-V379 HydrophobicContact CG-CG2 4.14Å; Y353-L383 HydrophobicContact CE2-CD1 4.01Å
354	K	95.3	Very high	94.5	Very high	76 Å²	76	42.6 Å²	42.6	33%	0.33	23%	0.225	S	C	.	.			trans	-104.9	138.8	177.5	-58.8	-176.1	180	-176.4	0	110.7	F258 T377 D378	F258-K354 HydrophobicContact CE1-CB 4.08Å; F258-K354 HydrophobicContact CE2-CB 4.05Å; F258-K354 HydrophobicContact CE2-CG 4.09Å; F258-K354 VanDerWaalsContact CZ-CA 3.46Å; F258-K354 HydrophobicContact CZ-CB 3.4Å; F258-K354 VanDerWaalsContact CZ-CB 3.4Å; F258-K354 HydrophobicContact CZ-CD 4.3Å; F258-K354 HydrophobicContact CZ-CG 3.62Å; K354-T377 CarbonylContact O-C 3.52Å; K354-T377 WeakPolarHBondContact O-CA 3.22Å; K354-T377 WeakPolarHBondContact O-CB 3.47Å; K354-D378 HydrophobicContact CB-CB 4.2Å; K354-D378 WeakPolarHBondContact CB-OD2 3.37Å; K354-D378 VanDerWaalsContact CG-OD2 3.26Å; K354-D378 WeakPolarHBondContact CG-OD2 3.38Å; K354-D378 VanDerWaalsContact N-CG 3.34Å; K354-D378 PolarHBondContact N-OD1 3.27Å; K354-D378 PolarHBondContact O-N 3.18Å
355	L	97.3	Very high	94.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.8	172	-49.3	-172.5	0	0	0	109	I247 F258 K348 I351 Y353 I375 T377 L383	I247-L355 HydrophobicContact CD1-CB 4.23Å; I247-L355 HydrophobicContact CG2-CB 3.94Å; F258-L355 HydrophobicContact CB-CB 4.3Å; F258-L355 HydrophobicContact CB-CD1 3.57Å; F258-L355 HydrophobicContact CB-CG 3.8Å; F258-L355 HydrophobicContact CD1-CB 3.75Å; F258-L355 HydrophobicContact CD1-CG 4.05Å; F258-L355 HydrophobicContact CD2-CG 4.3Å; F258-L355 HydrophobicContact CE1-CB 4.32Å; F258-L355 WeakPolarHBondContact CE1-O 3.5Å; F258-L355 HydrophobicContact CG-CB 4.03Å; F258-L355 HydrophobicContact CG-CD1 4.14Å; F258-L355 HydrophobicContact CG-CG 3.78Å; K348-L355 HydrophobicContact CG-CD1 4.44Å; I351-L355 HydrophobicContact CD1-CD2 4.04Å; I351-L355 HydrophobicContact CD1-CG 4.3Å; Y353-L355 HydrophobicContact CD2-CD2 4.16Å; Y353-L355 HydrophobicContact CE2-CD2 4Å; L355-I375 HydrophobicContact CB-CG2 3.93Å; L355-I375 HydrophobicContact CD1-CG2 4.17Å; L355-I375 HydrophobicContact CD2-CG2 3.88Å; L355-I375 HydrophobicContact CG-CG2 4.19Å; L355-T377 HydrophobicContact CD2-CG2 4.28Å; L355-L383 HydrophobicContact CD2-CD1 4Å
356	K	96.6	Very high	94.1	Very high	63 Å²	63	46.4 Å²	46.4	27%	0.274	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-38.5	-168.6	-73.1	-60.2	-164.5	178.7	0	114.9	G376 D378	K356-G376 PolarHBondContact N-O 2.7Å; K356-D378 HydrophobicContact CG-CB 4.07Å
357	Q	98.2	Very high	93.8	Very high	39 Å²	39	49.8 Å²	49.8	18%	0.182	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	145.3	-173.6	-65.5	-71.5	-81	0	0	109.5	D230 I375 G376 I413 L416	D230-Q357 WeakPolarHBondContact OD2-CA 3.47Å; Q357-I375 CarbonylContact O-C 3.6Å; Q357-I375 VanDerWaalsContact O-CA 3.27Å; Q357-I375 WeakPolarHBondContact O-CA 3.48Å; Q357-G376 PolarHBondContact N-O 3.45Å; Q357-G376 PolarHBondContact O-N 3.35Å; Q357-I413 HydrophobicContact CG-CG2 4.28Å; Q357-L416 HydrophobicContact CB-CB 3.64Å; Q357-L416 HydrophobicContact CB-CD2 4.18Å; Q357-L416 HydrophobicContact CG-CB 4.31Å
358	I	98.7	Very high	93.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.1	175.7	-172.2	165	0	0	0	111	D230 F232 Y245 I247 V260 V360 M373 F374 I375	D230-I358 HydrophobicContact CB-CG2 4.24Å; D230-I358 PolarHBondContact OD2-N 3.01Å; F232-I358 HydrophobicContact CB-CG2 4.02Å; F232-I358 WeakPolarHBondContact CB-O 3.46Å; Y245-I358 HydrophobicContact CD1-CD1 4.46Å; I247-I358 HydrophobicContact CD1-CB 3.68Å; I247-I358 HydrophobicContact CD1-CG2 4.01Å; I247-I358 HydrophobicContact CG1-CB 3.95Å; I247-I358 HydrophobicContact CG1-CD1 4.37Å; I247-I358 HydrophobicContact CG1-CG2 3.93Å; V260-I358 HydrophobicContact CG1-CD1 3.79Å; V260-I358 HydrophobicContact CG2-CD1 4.27Å; I358-V360 HydrophobicContact CD1-CG2 4.13Å; I358-V360 HydrophobicContact CG1-CG2 3.98Å; I358-M373 HydrophobicContact CD1-CB 4.39Å; I358-M373 HydrophobicContact CD1-CG 4.31Å; I358-M373 HydrophobicContact CD1-SD 4.37Å; I358-F374 WeakPolarHBondContact CA-O 3.4Å; I358-I375 HydrophobicContact CD1-CG1 4.19Å; I358-I375 HydrophobicContact CG1-CG1 4.14Å
359	V	98.7	Very high	93.7	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.1	161.3	-61.3	0	0	0	0	109	F232 F374 L416 I418 L425	F232-V359 HydrophobicContact CD2-CB 4Å; F232-V359 HydrophobicContact CD2-CG1 3.89Å; F232-V359 HydrophobicContact CE2-CB 3.84Å; F232-V359 HydrophobicContact CE2-CG1 3.9Å; F232-V359 HydrophobicContact CZ-CB 4.4Å; V359-F374 HydrophobicContact CG2-CB 3.77Å; V359-F374 HydrophobicContact CG2-CD2 4.37Å; V359-F374 HydrophobicContact CG2-CG 4.43Å; V359-F374 PolarHBondContact N-O 2.84Å; V359-F374 PolarHBondContact O-N 3.08Å; V359-L416 HydrophobicContact CG1-CB 4.3Å; V359-L416 HydrophobicContact CG1-CD2 4.4Å; V359-L416 HydrophobicContact CG1-CG 4.1Å; V359-L416 WeakPolarHBondContact CG1-O 3.33Å; V359-L416 HydrophobicContact CG2-CD2 3.88Å; V359-L416 HydrophobicContact CG2-CG 3.91Å; V359-I418 HydrophobicContact CB-CB 4.11Å; V359-I418 HydrophobicContact CB-CG2 3.9Å; V359-I418 HydrophobicContact CG1-CG2 4.36Å; V359-I418 HydrophobicContact CG2-CB 3.89Å; V359-I418 HydrophobicContact CG2-CG2 4.25Å; V359-L425 HydrophobicContact CG2-CD1 3.45Å; V359-L425 VanDerWaalsContact CG2-CD1 3.45Å
360	V	98.4	Very high	93.9	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.4	-174.7	-172.4	0	0	0	0	109.9	F232 L234 Y245 I358 D371 V372 M373	F232-V360 HydrophobicContact CD1-CB 3.78Å; F232-V360 HydrophobicContact CD1-CG2 3.91Å; F232-V360 HydrophobicContact CE1-CB 3.79Å; F232-V360 HydrophobicContact CE1-CG2 4.42Å; F232-V360 VanDerWaalsContact CE1-N 3.31Å; F232-V360 WeakPolarHBondContact CE1-O 3.48Å; F232-V360 WeakPolarHBondContact CZ-O 3.38Å; L234-V360 HydrophobicContact CD2-CG1 4.21Å; Y245-V360 HydrophobicContact CD1-CG2 3.75Å; Y245-V360 HydrophobicContact CD2-CB 4.48Å; Y245-V360 HydrophobicContact CD2-CG2 4.07Å; Y245-V360 HydrophobicContact CE1-CG1 4.33Å; Y245-V360 HydrophobicContact CE1-CG2 4.19Å; Y245-V360 HydrophobicContact CE2-CG1 4.21Å; Y245-V360 HydrophobicContact CE2-CG2 4.49Å; Y245-V360 HydrophobicContact CG-CG2 3.7Å; I358-V360 HydrophobicContact CD1-CG2 4.13Å; I358-V360 HydrophobicContact CG1-CG2 3.98Å; V360-D371 HydrophobicContact CG1-CB 3.92Å; V360-V372 WeakPolarHBondContact CA-O 3.3Å; V360-M373 HydrophobicContact CG1-CG 4.5Å; V360-M373 HydrophobicContact CG2-CG 4.09Å
361	D	97.5	Very high	94.4	Very high	14 Å²	14	44.8 Å²	44.8	8%	0.075	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.7	170.6	-166.3	12.2	0	0	0	110	V363 D371 V372 F374 I418 V420 Y458	D361-V363 HydrophobicContact CB-CG2 4.12Å; D361-D371 CarbonylContact O-C 3.56Å; D361-D371 WeakPolarHBondContact O-CA 3.18Å; D361-V372 PolarHBondContact N-O 2.84Å; D361-V372 PolarHBondContact O-N 3.34Å; D361-F374 HydrophobicContact CB-CE2 4.42Å; D361-I418 HydrophobicContact CB-CD1 3.74Å; D361-V420 VanDerWaalsContact OD1-CG2 3.25Å; D361-V420 WeakPolarHBondContact OD1-CG2 3.34Å; D361-Y458 WeakPolarHBondContact CB-OH 3.46Å; D361-Y458 VanDerWaalsContact CG-OH 3.23Å; D361-Y458 PolarHBondContact OD2-OH 2.98Å
362	R	96.3	Very high	94.8	Very high	84 Å²	84	43.2 Å²	43.2	32%	0.317	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	108.4	173	-177.7	163.6	-68	166.9	5.1	108.8	L234 D243 Q369 Y370 D371	L234-R362 HydrophobicContact CD2-CB 4.44Å; D243-R362 IonicContact OD2-CZ 2.9Å; D243-R362 IonicContact OD2-NH1 2.73Å; D243-R362 IonicContact OD2-NH2 2.71Å; D243-R362 PolarHBondContact OD2-NH2 3.26Å; R362-Q369 HydrophobicContact CG-CB 4.48Å; R362-Y370 WeakPolarHBondContact CA-O 3.43Å; R362-D371 WeakPolarHBondContact CB-OD1 3.37Å; R362-D371 WeakPolarHBondContact CG-OD1 3.45Å; R362-D371 IonicContact CZ-OD1 2.65Å; R362-D371 IonicContact CZ-OD2 3.64Å; R362-D371 IonicContact NE-OD1 2.92Å; R362-D371 PolarHBondContact NE-OD1 2.86Å; R362-D371 IonicContact NE-OD2 3.47Å; R362-D371 IonicContact NH2-OD1 3.96Å; R362-D371 PolarHBondContact NH2-OD1 2.8Å; R362-D371 IonicContact NH2-OD2 2.93Å; R362-D371 PolarHBondContact NH2-OD2 2.98Å
363	V	94.9	Very high	95.2	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.1	-169.4	-172.4	0	0	0	0	110.1	D361 Q369 Y370 V372 P457 Y458	D361-V363 HydrophobicContact CB-CG2 4.12Å; V363-Q369 WeakPolarHBondContact O-CA 3.25Å; V363-Y370 PolarHBondContact N-O 3.29Å; V363-Y370 PolarHBondContact O-N 3.43Å; V363-V372 HydrophobicContact CB-CG2 4.37Å; V363-V372 HydrophobicContact CG2-CB 4.46Å; V363-V372 HydrophobicContact CG2-CG2 3.78Å; V363-P457 HydrophobicContact CB-CB 4.26Å; V363-P457 HydrophobicContact CG1-CB 4.06Å; V363-Y458 HydrophobicContact CG1-CD1 3.96Å; V363-Y458 HydrophobicContact CG1-CE1 4.06Å; V363-Y458 HydrophobicContact CG1-CG 4.23Å; V363-Y458 HydrophobicContact CG2-CD1 4.24Å; V363-Y458 HydrophobicContact CG2-CD2 4.29Å; V363-Y458 HydrophobicContact CG2-CE1 3.56Å; V363-Y458 HydrophobicContact CG2-CE2 3.68Å; V363-Y458 WeakPolarHBondContact CG2-OH 3.37Å
364	E	92.7	Very high	95.5	Very high	95 Å²	95	36.6 Å²	36.6	44%	0.444	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.9	168.3	-63.3	-73	178.7	0	0	109.7	Q369 F469 P471	E364-Q369 PolarHBondContact OE1-NE2 3.28Å; E364-Q369 VanDerWaalsContact OE2-CG 3.27Å; E364-Q369 WeakPolarHBondContact OE2-CG 3.37Å; E364-F469 HydrophobicContact CB-CE1 4.47Å; E364-F469 WeakPolarHBondContact O-CD1 3.47Å; E364-F469 WeakPolarHBondContact O-CE1 3.38Å; E364-P471 HydrophobicContact CB-CG 4.24Å
365	A	92.4	Very high	95.6	Very high	10 Å²	10	33 Å²	33	8%	0.083	16%	0.163	C	C	.	.			trans	-124.9	179.5	171.5	0	0	0	0	0	110.2	D367 G368 Y370 P457 F469 V482	A365-D367 VanDerWaalsContact C-N 3.33Å; A365-D367 PolarHBondContact O-N 2.9Å; A365-G368 WeakPolarHBondContact CA-O 3.32Å; A365-G368 WeakPolarHBondContact CB-O 3.18Å; A365-G368 PolarHBondContact N-O 3.03Å; A365-Y370 HydrophobicContact CB-CD2 3.72Å; A365-Y370 HydrophobicContact CB-CE2 3.74Å; A365-P457 HydrophobicContact CB-CB 4.25Å; A365-F469 VanDerWaalsContact C-CZ 3.47Å; A365-V482 HydrophobicContact CB-CG2 4.2Å
366	E	88.4	Confident	95.7	Very high	96 Å²	96	32.9 Å²	32.9	45%	0.449	16%	0.163	S	C	.	.	S	Bend	trans	-64.3	-35.4	-179.6	-176.3	158.5	-158.3	0	0	113.3	F469 Q480	E366-F469 HydrophobicContact CB-CE2 4.11Å; E366-Q480 HydrophobicContact CB-CB 4.09Å; E366-Q480 PolarHBondContact OE2-N 3.1Å
367	D	88.6	Confident	95.7	Very high	72 Å²	72	29.9 Å²	29.9	39%	0.385	15%	0.15	S	C	.	.	S	Bend	trans	-103.4	-1.1	-174.9	60.5	-24	0	0	0	114.2	A365 Y370 K483	A365-D367 VanDerWaalsContact C-N 3.33Å; A365-D367 PolarHBondContact O-N 2.9Å; D367-Y370 VanDerWaalsContact OD1-CE2 3.23Å; D367-Y370 WeakPolarHBondContact OD1-CE2 3.33Å; D367-Y370 PolarHBondContact OD1-OH 2.9Å; D367-Y370 PolarHBondContact OD2-OH 3.27Å; D367-K483 WeakPolarHBondContact OD2-CB 3.44Å; D367-K483 PolarHBondContact OD2-N 2.87Å
368	G	90.8	Very high	95.6	Very high	30 Å²	30	30 Å²	30	31%	0.309	15%	0.152	S	C	.	.			trans	153	-164	175	0	0	0	0	0	114.4	A365	A365-G368 WeakPolarHBondContact CA-O 3.32Å; A365-G368 WeakPolarHBondContact CB-O 3.18Å; A365-G368 PolarHBondContact N-O 3.03Å
369	Q	93.5	Very high	95.5	Very high	100 Å²	100	31.9 Å²	31.9	47%	0.467	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.1	175	-71.2	-177.5	-13.1	0	0	110.8	R362 V363 E364	R362-Q369 HydrophobicContact CG-CB 4.48Å; V363-Q369 WeakPolarHBondContact O-CA 3.25Å; E364-Q369 PolarHBondContact OE1-NE2 3.28Å; E364-Q369 VanDerWaalsContact OE2-CG 3.27Å; E364-Q369 WeakPolarHBondContact OE2-CG 3.37Å
370	Y	95.3	Very high	95.4	Very high	24 Å²	24	31.7 Å²	31.7	9%	0.094	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135	177.9	-67	-83.5	0	0	0	111	R362 V363 A365 D367 L388 P457 V482	R362-Y370 WeakPolarHBondContact CA-O 3.43Å; V363-Y370 PolarHBondContact N-O 3.29Å; V363-Y370 PolarHBondContact O-N 3.43Å; A365-Y370 HydrophobicContact CB-CD2 3.72Å; A365-Y370 HydrophobicContact CB-CE2 3.74Å; D367-Y370 VanDerWaalsContact OD1-CE2 3.23Å; D367-Y370 WeakPolarHBondContact OD1-CE2 3.33Å; D367-Y370 PolarHBondContact OD1-OH 2.9Å; D367-Y370 PolarHBondContact OD2-OH 3.27Å; Y370-L388 HydrophobicContact CD1-CD2 3.91Å; Y370-L388 HydrophobicContact CE1-CD2 3.38Å; Y370-P457 HydrophobicContact CD2-CB 4.12Å; Y370-P457 HydrophobicContact CD2-CG 4.11Å; Y370-P457 HydrophobicContact CG-CB 4.33Å; Y370-P457 HydrophobicContact CG-CG 3.92Å; Y370-V482 HydrophobicContact CD1-CG1 3.88Å; Y370-V482 HydrophobicContact CD2-CB 4.47Å; Y370-V482 HydrophobicContact CD2-CG1 4.05Å; Y370-V482 HydrophobicContact CE1-CB 4.34Å; Y370-V482 HydrophobicContact CE1-CG1 3.53Å; Y370-V482 HydrophobicContact CE2-CB 3.79Å; Y370-V482 HydrophobicContact CE2-CG1 3.68Å; Y370-V482 HydrophobicContact CE2-CG2 4.17Å; Y370-V482 HydrophobicContact CG-CG1 4.13Å
371	D	96.6	Very high	95.3	Very high	33 Å²	33	31.8 Å²	31.8	18%	0.176	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	106.4	169.4	-73	-2.4	0	0	0	108.3	Y245 V360 D361 R362	Y245-D371 VanDerWaalsContact OH-CB 3.25Å; Y245-D371 WeakPolarHBondContact OH-CB 3.44Å; Y245-D371 VanDerWaalsContact OH-CG 3.3Å; Y245-D371 PolarHBondContact OH-OD2 2.87Å; V360-D371 HydrophobicContact CG1-CB 3.92Å; D361-D371 CarbonylContact O-C 3.56Å; D361-D371 WeakPolarHBondContact O-CA 3.18Å; R362-D371 WeakPolarHBondContact CB-OD1 3.37Å; R362-D371 WeakPolarHBondContact CG-OD1 3.45Å; R362-D371 IonicContact CZ-OD1 2.65Å; R362-D371 IonicContact CZ-OD2 3.64Å; R362-D371 IonicContact NE-OD1 2.92Å; R362-D371 PolarHBondContact NE-OD1 2.86Å; R362-D371 IonicContact NE-OD2 3.47Å; R362-D371 IonicContact NH2-OD1 3.96Å; R362-D371 PolarHBondContact NH2-OD1 2.8Å; R362-D371 IonicContact NH2-OD2 2.93Å; R362-D371 PolarHBondContact NH2-OD2 2.98Å
372	V	98	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.8	179.5	-173	0	0	0	0	109.2	V360 D361 V363 F374 K384 I386 L401 P457 Y458	V360-V372 WeakPolarHBondContact CA-O 3.3Å; D361-V372 PolarHBondContact N-O 2.84Å; D361-V372 PolarHBondContact O-N 3.34Å; V363-V372 HydrophobicContact CB-CG2 4.37Å; V363-V372 HydrophobicContact CG2-CB 4.46Å; V363-V372 HydrophobicContact CG2-CG2 3.78Å; V372-F374 HydrophobicContact CB-CE2 4.35Å; V372-F374 HydrophobicContact CG1-CE2 3.96Å; V372-F374 HydrophobicContact CG1-CZ 4.07Å; V372-K384 HydrophobicContact CG1-CD 4.39Å; V372-K384 HydrophobicContact CG1-CG 3.73Å; V372-I386 HydrophobicContact CB-CG2 4.25Å; V372-I386 HydrophobicContact CG1-CG2 4.27Å; V372-I386 HydrophobicContact CG2-CG2 3.79Å; V372-L401 HydrophobicContact CG1-CD1 4.48Å; V372-P457 HydrophobicContact CG2-CB 4.41Å; V372-P457 HydrophobicContact CG2-CG 3.95Å; V372-Y458 HydrophobicContact CB-CE2 4.09Å; V372-Y458 HydrophobicContact CG1-CE2 4.07Å; V372-Y458 HydrophobicContact CG2-CD2 4.43Å; V372-Y458 HydrophobicContact CG2-CE2 3.86Å
373	M	98.6	Very high	95.4	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.5	178.5	-60.9	175.7	-74.9	0	0	109.9	Y245 V260 V345 L346 I358 V360 I375 K384 V385	Y245-M373 HydrophobicContact CD1-CG 4.48Å; Y245-M373 HydrophobicContact CD1-SD 4.35Å; Y245-M373 HydrophobicContact CE1-CG 4.29Å; Y245-M373 HydrophobicContact CE1-SD 4.21Å; V260-M373 HydrophobicContact CB-SD 4.45Å; V260-M373 HydrophobicContact CG1-SD 3.97Å; V345-M373 HydrophobicContact CG2-CE 4.4Å; V345-M373 HydrophobicContact CG2-SD 4.06Å; L346-M373 HydrophobicContact CB-CE 4.48Å; I358-M373 HydrophobicContact CD1-CB 4.39Å; I358-M373 HydrophobicContact CD1-CG 4.31Å; I358-M373 HydrophobicContact CD1-SD 4.37Å; V360-M373 HydrophobicContact CG1-CG 4.5Å; V360-M373 HydrophobicContact CG2-CG 4.09Å; M373-I375 HydrophobicContact CB-CD1 4.31Å; M373-I375 HydrophobicContact CB-CG1 4.29Å; M373-K384 WeakPolarHBondContact O-CA 3.49Å; M373-V385 HydrophobicContact CE-CB 4.31Å; M373-V385 HydrophobicContact CE-CG1 4.06Å; M373-V385 PolarHBondContact N-O 2.98Å; M373-V385 PolarHBondContact O-N 2.89Å
374	F	98.6	Very high	95.5	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.5	167.2	-61.3	-92.2	0	0	0	108.2	I358 V359 D361 V372 V382 L383 K384 L416 I418 L425 L438 Y458	I358-F374 WeakPolarHBondContact CA-O 3.4Å; V359-F374 HydrophobicContact CG2-CB 3.77Å; V359-F374 HydrophobicContact CG2-CD2 4.37Å; V359-F374 HydrophobicContact CG2-CG 4.43Å; V359-F374 PolarHBondContact N-O 2.84Å; V359-F374 PolarHBondContact O-N 3.08Å; D361-F374 HydrophobicContact CB-CE2 4.42Å; V372-F374 HydrophobicContact CB-CE2 4.35Å; V372-F374 HydrophobicContact CG1-CE2 3.96Å; V372-F374 HydrophobicContact CG1-CZ 4.07Å; F374-V382 HydrophobicContact CB-CG1 4.35Å; F374-V382 HydrophobicContact CD1-CG1 4.39Å; F374-L383 CarbonylContact C-O 3.42Å; F374-L383 VanDerWaalsContact CA-O 3.32Å; F374-L383 WeakPolarHBondContact CA-O 3.39Å; F374-K384 HydrophobicContact CD1-CB 4.41Å; F374-K384 HydrophobicContact CD1-CG 4.23Å; F374-K384 HydrophobicContact CE1-CB 4.4Å; F374-K384 HydrophobicContact CE1-CD 3.92Å; F374-K384 HydrophobicContact CE1-CG 3.84Å; F374-K384 HydrophobicContact CZ-CD 4.36Å; F374-K384 HydrophobicContact CZ-CG 4.34Å; F374-L416 HydrophobicContact CB-CD2 4.43Å; F374-L416 WeakPolarHBondContact O-CD2 3.4Å; F374-I418 HydrophobicContact CD2-CD1 4.27Å; F374-I418 HydrophobicContact CE2-CD1 4.16Å; F374-L425 HydrophobicContact CB-CD1 4.23Å; F374-L425 HydrophobicContact CB-CD2 4.29Å; F374-L425 HydrophobicContact CD1-CD2 4.03Å; F374-L425 HydrophobicContact CG-CD1 4.39Å; F374-L425 HydrophobicContact CG-CD2 4.37Å; F374-L438 HydrophobicContact CE1-CD2 4.21Å; F374-L438 HydrophobicContact CE2-CD2 3.97Å; F374-L438 HydrophobicContact CZ-CB 4.15Å; F374-L438 HydrophobicContact CZ-CD2 3.73Å; F374-Y458 HydrophobicContact CE2-CE2 4.49Å; F374-Y458 HydrophobicContact CZ-CE2 4.04Å
375	I	98.6	Very high	95.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.3	-173.1	-59.4	169.6	0	0	0	109.8	I247 V260 L346 L355 Q357 I358 M373 V382 L383	I247-I375 HydrophobicContact CD1-CG2 4.05Å; V260-I375 HydrophobicContact CG2-CD1 4.11Å; L346-I375 HydrophobicContact CD2-CD1 3.31Å; L355-I375 HydrophobicContact CB-CG2 3.93Å; L355-I375 HydrophobicContact CD1-CG2 4.17Å; L355-I375 HydrophobicContact CD2-CG2 3.88Å; L355-I375 HydrophobicContact CG-CG2 4.19Å; Q357-I375 CarbonylContact O-C 3.6Å; Q357-I375 VanDerWaalsContact O-CA 3.27Å; Q357-I375 WeakPolarHBondContact O-CA 3.48Å; I358-I375 HydrophobicContact CD1-CG1 4.19Å; I358-I375 HydrophobicContact CG1-CG1 4.14Å; M373-I375 HydrophobicContact CB-CD1 4.31Å; M373-I375 HydrophobicContact CB-CG1 4.29Å; I375-V382 CarbonylContact O-C 3.54Å; I375-V382 WeakPolarHBondContact O-CA 3.19Å; I375-L383 HydrophobicContact CB-CB 4.33Å; I375-L383 PolarHBondContact N-O 2.84Å; I375-L383 PolarHBondContact O-N 2.82Å
376	G	98.3	Very high	95.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	143.8	175.7	0	0	0	0	0	112.6	K356 Q357	K356-G376 PolarHBondContact N-O 2.7Å; Q357-G376 PolarHBondContact N-O 3.45Å; Q357-G376 PolarHBondContact O-N 3.35Å
377	T	97.6	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	167.5	-179.6	73.4	0	0	0	0	113.8	Y353 K354 L355 V379 G380 T381 L383 I413	Y353-T377 HydrophobicContact CD2-CG2 3.58Å; Y353-T377 HydrophobicContact CE2-CG2 3.92Å; Y353-T377 HydrophobicContact CG-CG2 4.09Å; K354-T377 CarbonylContact O-C 3.52Å; K354-T377 WeakPolarHBondContact O-CA 3.22Å; K354-T377 WeakPolarHBondContact O-CB 3.47Å; L355-T377 HydrophobicContact CD2-CG2 4.28Å; T377-V379 PolarHBondContact O-N 2.72Å; T377-V379 VanDerWaalsContact OG1-CG2 3.25Å; T377-V379 WeakPolarHBondContact OG1-CG2 3.49Å; T377-V379 PolarHBondContact OG1-N 2.8Å; T377-G380 PolarHBondContact OG1-N 2.81Å; T377-T381 PolarHBondContact N-O 2.94Å; T377-T381 WeakPolarHBondContact OG1-CB 3.42Å; T377-T381 PolarHBondContact OG1-N 2.8Å; T377-T381 VanDerWaalsContact OG1-N 3.1Å; T377-T381 PolarHBondContact OG1-O 2.84Å; T377-L383 HydrophobicContact CG2-CG 4.42Å; T377-I413 PolarHBondContact O-N 2.73Å
378	D	96.3	Very high	96	Very high	40 Å²	40	16 Å²	16	21%	0.214	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.9	171.7	68.6	-18.2	0	0	0	114.6	Y353 K354 K356 P412	Y353-D378 WeakPolarHBondContact CA-OD1 3.28Å; Y353-D378 WeakPolarHBondContact CB-OD1 3.24Å; K354-D378 HydrophobicContact CB-CB 4.2Å; K354-D378 WeakPolarHBondContact CB-OD2 3.37Å; K354-D378 VanDerWaalsContact CG-OD2 3.26Å; K354-D378 WeakPolarHBondContact CG-OD2 3.38Å; K354-D378 VanDerWaalsContact N-CG 3.34Å; K354-D378 PolarHBondContact N-OD1 3.27Å; K354-D378 PolarHBondContact O-N 3.18Å; K356-D378 HydrophobicContact CG-CB 4.07Å; D378-P412 HydrophobicContact CB-CB 4.46Å; D378-P412 VanDerWaalsContact O-CA 3.24Å; D378-P412 WeakPolarHBondContact O-CA 3.3Å; D378-P412 WeakPolarHBondContact O-CD 3.27Å; D378-P412 VanDerWaalsContact O-CG 3.28Å; D378-P412 WeakPolarHBondContact O-CG 3.09Å
379	V	96.2	Very high	95.3	Very high	43 Å²	43	18.6 Å²	18.6	26%	0.261	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	8.2	175.9	-62.4	0	0	0	0	113.4	Y353 T377 Q405 P410 I411	Y353-V379 HydrophobicContact CD1-CG2 4.14Å; Y353-V379 HydrophobicContact CG-CG2 4.14Å; T377-V379 PolarHBondContact O-N 2.72Å; T377-V379 VanDerWaalsContact OG1-CG2 3.25Å; T377-V379 WeakPolarHBondContact OG1-CG2 3.49Å; T377-V379 PolarHBondContact OG1-N 2.8Å; V379-Q405 PolarHBondContact O-NE2 3.37Å; V379-P410 HydrophobicContact CB-CB 4.37Å; V379-P410 VanDerWaalsContact O-CA 3.22Å; V379-P410 WeakPolarHBondContact O-CA 3.48Å; V379-I411 CarbonylContact C-O 3.3Å; V379-I411 PolarHBondContact O-N 2.88Å
380	G	96.3	Very high	93.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	89.3	18	172.3	0	0	0	0	0	114.5	T377 Q405 V406 I411	T377-G380 PolarHBondContact OG1-N 2.81Å; G380-Q405 PolarHBondContact O-NE2 3.03Å; G380-V406 PolarHBondContact O-N 2.86Å; G380-I411 WeakPolarHBondContact CA-O 3.48Å; G380-I411 PolarHBondContact N-O 3.02Å
381	T	96.4	Very high	92	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.025	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143	-178.5	-40.1	0	0	0	0	110	T377 L383 E403 L404 Q405 I413	T377-T381 PolarHBondContact N-O 2.94Å; T377-T381 WeakPolarHBondContact OG1-CB 3.42Å; T377-T381 PolarHBondContact OG1-N 2.8Å; T377-T381 VanDerWaalsContact OG1-N 3.1Å; T377-T381 PolarHBondContact OG1-O 2.84Å; T381-L383 HydrophobicContact CG2-CD2 4.47Å; T381-E403 HydrophobicContact CG2-CG 3.36Å; T381-L404 CarbonylContact C-O 3.48Å; T381-L404 VanDerWaalsContact CA-O 3.31Å; T381-L404 WeakPolarHBondContact CA-O 2.93Å; T381-L404 WeakPolarHBondContact CG2-O 3.48Å; T381-Q405 PolarHBondContact OG1-OE1 2.97Å; T381-I413 VanDerWaalsContact O-CD1 3.24Å; T381-I413 WeakPolarHBondContact O-CD1 3.21Å
382	V	97.9	Very high	89.7	Confident	8 Å²	8	24.3 Å²	24.3	5%	0.048	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.1	169	172.9	0	0	0	0	108.7	F374 I375 L404 V406 I413 L416 L425 V427	F374-V382 HydrophobicContact CB-CG1 4.35Å; F374-V382 HydrophobicContact CD1-CG1 4.39Å; I375-V382 CarbonylContact O-C 3.54Å; I375-V382 WeakPolarHBondContact O-CA 3.19Å; V382-L404 PolarHBondContact N-O 3.36Å; V382-L404 PolarHBondContact O-N 3Å; V382-V406 HydrophobicContact CB-CG2 4.18Å; V382-V406 HydrophobicContact CG2-CG2 3.6Å; V382-I413 HydrophobicContact CG2-CD1 3.61Å; V382-L416 HydrophobicContact CG2-CD1 4.5Å; V382-L425 HydrophobicContact CG1-CD2 3.84Å; V382-L425 HydrophobicContact CG2-CD2 4.39Å; V382-V427 HydrophobicContact CG2-CG1 4.33Å; V382-V427 HydrophobicContact CG2-CG2 4.11Å
383	L	97.1	Very high	87.7	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.4	170.9	-51.4	177.7	0	0	0	109.1	Y353 L355 F374 I375 T377 T381 V385 E403	Y353-L383 HydrophobicContact CE2-CD1 4.01Å; L355-L383 HydrophobicContact CD2-CD1 4Å; F374-L383 CarbonylContact C-O 3.42Å; F374-L383 VanDerWaalsContact CA-O 3.32Å; F374-L383 WeakPolarHBondContact CA-O 3.39Å; I375-L383 HydrophobicContact CB-CB 4.33Å; I375-L383 PolarHBondContact N-O 2.84Å; I375-L383 PolarHBondContact O-N 2.82Å; T377-L383 HydrophobicContact CG2-CG 4.42Å; T381-L383 HydrophobicContact CG2-CD2 4.47Å; L383-V385 HydrophobicContact CB-CG2 3.97Å; L383-E403 HydrophobicContact CD2-CB 4.08Å; L383-E403 HydrophobicContact CD2-CG 3.7Å
384	K	97.4	Very high	85.7	Confident	3 Å²	3	34.3 Å²	34.3	1%	0.013	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.2	169.6	-173.5	-178.3	176.7	176.1	0	107.9	V372 M373 F374 L401 E402 L438 D456 Y458	V372-K384 HydrophobicContact CG1-CD 4.39Å; V372-K384 HydrophobicContact CG1-CG 3.73Å; M373-K384 WeakPolarHBondContact O-CA 3.49Å; F374-K384 HydrophobicContact CD1-CB 4.41Å; F374-K384 HydrophobicContact CD1-CG 4.23Å; F374-K384 HydrophobicContact CE1-CB 4.4Å; F374-K384 HydrophobicContact CE1-CD 3.92Å; F374-K384 HydrophobicContact CE1-CG 3.84Å; F374-K384 HydrophobicContact CZ-CD 4.36Å; F374-K384 HydrophobicContact CZ-CG 4.34Å; K384-L401 HydrophobicContact CB-CB 4.4Å; K384-L401 HydrophobicContact CD-CB 4.23Å; K384-L401 HydrophobicContact CD-CD1 4.33Å; K384-L401 HydrophobicContact CG-CB 4.16Å; K384-L401 HydrophobicContact CG-CD1 4.18Å; K384-L401 WeakPolarHBondContact O-CB 3.36Å; K384-L401 PolarHBondContact O-N 3.1Å; K384-E402 HydrophobicContact CB-CB 3.95Å; K384-E402 HydrophobicContact CD-CB 4.47Å; K384-E402 PolarHBondContact N-O 3.17Å; K384-E402 PolarHBondContact O-N 2.9Å; K384-L438 PolarHBondContact NZ-O 3.27Å; K384-D456 WeakPolarHBondContact CE-OD1 3.5Å; K384-D456 IonicContact NZ-OD1 2.94Å; K384-D456 PolarHBondContact NZ-OD1 2.76Å; K384-D456 IonicContact NZ-OD2 3.01Å; K384-D456 PolarHBondContact NZ-OD2 3.35Å; K384-Y458 VanDerWaalsContact NZ-CD2 3.3Å
385	V	96.6	Very high	84	Confident	1 Å²	1	41 Å²	41	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141.2	-168.7	-173.8	0	0	0	0	110.2	L346 M373 L383 V399 T400	L346-V385 HydrophobicContact CD1-CG1 3.99Å; L346-V385 HydrophobicContact CD2-CG1 4.46Å; M373-V385 HydrophobicContact CE-CB 4.31Å; M373-V385 HydrophobicContact CE-CG1 4.06Å; M373-V385 PolarHBondContact N-O 2.98Å; M373-V385 PolarHBondContact O-N 2.89Å; L383-V385 HydrophobicContact CB-CG2 3.97Å; V385-V399 WeakPolarHBondContact CA-O 3.48Å; V385-T400 HydrophobicContact CG2-CG2 4.49Å
386	I	95.6	Very high	82.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.9	165.1	59.4	176.8	0	0	0	109.5	V372 L388 V399 L401 P457 V482	V372-I386 HydrophobicContact CB-CG2 4.25Å; V372-I386 HydrophobicContact CG1-CG2 4.27Å; V372-I386 HydrophobicContact CG2-CG2 3.79Å; I386-L388 HydrophobicContact CD1-CD2 4.07Å; I386-L388 HydrophobicContact CD1-CG 4.37Å; I386-V399 HydrophobicContact CD1-CB 4.31Å; I386-V399 HydrophobicContact CG1-CB 3.76Å; I386-V399 HydrophobicContact CG1-CG1 4.48Å; I386-V399 HydrophobicContact CG1-CG2 4.4Å; I386-V399 PolarHBondContact N-O 2.91Å; I386-V399 PolarHBondContact O-N 2.69Å; I386-L401 HydrophobicContact CD1-CD1 4.39Å; I386-L401 HydrophobicContact CD1-CD2 4.04Å; I386-L401 HydrophobicContact CG1-CD1 4.3Å; I386-L401 HydrophobicContact CG1-CD2 4.23Å; I386-L401 HydrophobicContact CG1-CG 4.27Å; I386-L401 HydrophobicContact CG2-CD1 3.78Å; I386-P457 HydrophobicContact CD1-CG 4.48Å; I386-P457 HydrophobicContact CG2-CG 4.2Å; I386-V482 HydrophobicContact CD1-CG1 3.62Å
387	S	92.3	Very high	82.2	Confident	29 Å²	29	46 Å²	46	20%	0.203	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.7	174	-174.2	0	0	0	0	108.2	V345 A396	V345-S387 WeakPolarHBondContact O-CB 3.23Å; V345-S387 PolarHBondContact O-OG 2.7Å; S387-A396 WeakPolarHBondContact OG-CB 3.29Å
388	L	87.8	Confident	81.8	Confident	8 Å²	8	49 Å²	49	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.2	179.9	-59.8	177.4	0	0	0	109.4	Y370 I386 G390 A396 E397 V399	Y370-L388 HydrophobicContact CD1-CD2 3.91Å; Y370-L388 HydrophobicContact CE1-CD2 3.38Å; I386-L388 HydrophobicContact CD1-CD2 4.07Å; I386-L388 HydrophobicContact CD1-CG 4.37Å; L388-G390 PolarHBondContact O-N 2.79Å; L388-A396 CarbonylContact O-C 3.55Å; L388-A396 VanDerWaalsContact O-CA 3.29Å; L388-A396 WeakPolarHBondContact O-CA 3.28Å; L388-E397 HydrophobicContact CB-CB 4.24Å; L388-E397 PolarHBondContact N-O 3.29Å; L388-E397 PolarHBondContact O-N 3.01Å; L388-V399 HydrophobicContact CD1-CG2 3.68Å; L388-V399 HydrophobicContact CG-CG2 4.18Å
389	Q	76.2	Confident	81.5	Confident	85 Å²	85	47.4 Å²	47.4	40%	0.397	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	113.9	172	-61.5	-61.8	-45.8	0	0	108.6	G391	Q389-G391 PolarHBondContact O-N 2.76Å
390	G	57.3	Low	81.3	Confident	28 Å²	28	47.5 Å²	47.5	29%	0.289	28%	0.277	S	S	.	.			trans	-64.8	130.4	170.3	0	0	0	0	0	109.3	L388 N392	L388-G390 PolarHBondContact O-N 2.79Å; G390-N392 PolarHBondContact O-N 2.93Å
391	G	63.3	Low	81.2	Confident	72 Å²	72	48.3 Å²	48.3	74%	0.742	28%	0.282	S	S	*	.	S	Bend	trans	-52.7	-56.5	-170.6	0	0	0	0	0	114.2	Q389	Q389-G391 PolarHBondContact O-N 2.76Å
392	N	48.4	Very low	81	Confident	178 Å²	178	49.8 Å²	49.8	95%	0.952	29%	0.288	S	S	*	.	S	Bend	trans	-101.4	-2.2	-176.1	-66.9	-11.7	0	0	0	113.9	G390	G390-N392 PolarHBondContact O-N 2.93Å
393	S	54.3	Low	80.7	Confident	60 Å²	60	54.7 Å²	54.7	42%	0.42	31%	0.31	S	S	.	.			trans	-102.2	136.9	177.7	-172.3	0	0	0	0	108.9	E395	S393-E395 PolarHBondContact O-N 3.38Å; S393-E395 WeakPolarHBondContact OG-CB 3.48Å; S393-E395 PolarHBondContact OG-N 2.95Å; S393-E395 VanDerWaalsContact OG-N 3.1Å
394	L	57	Low	80.6	Confident	151 Å²	151	56.6 Å²	56.6	79%	0.791	32%	0.321	S	S	*	.	S	Bend	trans	-67.5	-11.7	167.7	-73.3	161.9	0	0	0	111.3	Q343	Q343-L394 PolarHBondContact NE2-O 2.81Å
395	E	63.8	Low	80.5	Confident	149 Å²	149	60.4 Å²	60.4	70%	0.696	34%	0.338	S	S	*	.	S	Bend	trans	-83.9	126.3	-179.1	-62.4	179.7	167.7	0	0	111.4	S393	S393-E395 PolarHBondContact O-N 3.38Å; S393-E395 WeakPolarHBondContact OG-CB 3.48Å; S393-E395 PolarHBondContact OG-N 2.95Å; S393-E395 VanDerWaalsContact OG-N 3.1Å
396	A	73.4	Confident	80.4	Confident	24 Å²	24	61 Å²	61	20%	0.198	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.2	170.9	0	0	0	0	0	109.7	S387 L388 E398	S387-A396 WeakPolarHBondContact OG-CB 3.29Å; L388-A396 CarbonylContact O-C 3.55Å; L388-A396 VanDerWaalsContact O-CA 3.29Å; L388-A396 WeakPolarHBondContact O-CA 3.28Å; A396-E398 PolarHBondContact O-N 2.84Å
397	E	85.8	Confident	80.1	Confident	80 Å²	80	62 Å²	62	37%	0.374	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	118.1	170.7	-180	-167.2	164	0	0	108.7	L388 V399 R455	L388-E397 HydrophobicContact CB-CB 4.24Å; L388-E397 PolarHBondContact N-O 3.29Å; L388-E397 PolarHBondContact O-N 3.01Å; E397-V399 HydrophobicContact CG-CG2 4.11Å; E397-R455 IonicContact OE1-CZ 3.45Å; E397-R455 VanDerWaalsContact OE1-CZ 3.31Å; E397-R455 IonicContact OE1-NH1 2.93Å; E397-R455 PolarHBondContact OE1-NH1 2.8Å; E397-R455 IonicContact OE1-NH2 2.62Å; E397-R455 PolarHBondContact OE1-NH2 3.11Å; E397-R455 IonicContact OE2-NH2 2.75Å; E397-R455 PolarHBondContact OE2-NH2 3.24Å
398	E	88.4	Confident	79.9	Confident	64 Å²	64	69.9 Å²	69.9	30%	0.299	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	123.3	174	-57.4	178.2	178.7	0	0	110.2	L346 V347 K348 A396	L346-E398 WeakPolarHBondContact CA-OE1 3.46Å; L346-E398 HydrophobicContact CD1-CB 4.25Å; L346-E398 HydrophobicContact CD1-CG 3.91Å; L346-E398 VanDerWaalsContact CD1-OE2 3.23Å; L346-E398 WeakPolarHBondContact CD1-OE2 3.21Å; V347-E398 PolarHBondContact N-OE1 3.12Å; K348-E398 IonicContact NZ-OE2 3.5Å; K348-E398 PolarHBondContact NZ-OE2 2.92Å; A396-E398 PolarHBondContact O-N 2.84Å
399	V	90.8	Very high	80	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.03	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	109	176.5	-171.1	0	0	0	0	109.1	V385 I386 L388 E397 L401	V385-V399 WeakPolarHBondContact CA-O 3.48Å; I386-V399 HydrophobicContact CD1-CB 4.31Å; I386-V399 HydrophobicContact CG1-CB 3.76Å; I386-V399 HydrophobicContact CG1-CG1 4.48Å; I386-V399 HydrophobicContact CG1-CG2 4.4Å; I386-V399 PolarHBondContact N-O 2.91Å; I386-V399 PolarHBondContact O-N 2.69Å; L388-V399 HydrophobicContact CD1-CG2 3.68Å; L388-V399 HydrophobicContact CG-CG2 4.18Å; E397-V399 HydrophobicContact CG-CG2 4.11Å; V399-L401 HydrophobicContact CG1-CD2 3.96Å; V399-L401 PolarHBondContact O-N 3.32Å
400	T	92.2	Very high	80.9	Confident	46 Å²	46	75 Å²	75	28%	0.282	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	107.2	168.8	-55.9	0	0	0	0	108.6	V385	V385-T400 HydrophobicContact CG2-CG2 4.49Å
401	L	92.9	Very high	82.7	Confident	17 Å²	17	75.3 Å²	75.3	9%	0.089	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-34.2	-179.8	-59.4	176	0	0	0	112	V372 K384 I386 V399 A454 R455	V372-L401 HydrophobicContact CG1-CD1 4.48Å; K384-L401 HydrophobicContact CB-CB 4.4Å; K384-L401 HydrophobicContact CD-CB 4.23Å; K384-L401 HydrophobicContact CD-CD1 4.33Å; K384-L401 HydrophobicContact CG-CB 4.16Å; K384-L401 HydrophobicContact CG-CD1 4.18Å; K384-L401 WeakPolarHBondContact O-CB 3.36Å; K384-L401 PolarHBondContact O-N 3.1Å; I386-L401 HydrophobicContact CD1-CD1 4.39Å; I386-L401 HydrophobicContact CD1-CD2 4.04Å; I386-L401 HydrophobicContact CG1-CD1 4.3Å; I386-L401 HydrophobicContact CG1-CD2 4.23Å; I386-L401 HydrophobicContact CG1-CG 4.27Å; I386-L401 HydrophobicContact CG2-CD1 3.78Å; V399-L401 HydrophobicContact CG1-CD2 3.96Å; V399-L401 PolarHBondContact O-N 3.32Å; L401-A454 WeakPolarHBondContact CD2-O 3.22Å; L401-R455 HydrophobicContact CD2-CB 4.13Å; L401-R455 WeakPolarHBondContact CD2-O 3.28Å
402	E	91.8	Very high	84.3	Confident	35 Å²	35	75 Å²	75	16%	0.164	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	144.4	-177.4	-163.9	172.7	-169.4	0	0	112.2	K384 R440	K384-E402 HydrophobicContact CB-CB 3.95Å; K384-E402 HydrophobicContact CD-CB 4.47Å; K384-E402 PolarHBondContact N-O 3.17Å; K384-E402 PolarHBondContact O-N 2.9Å; E402-R440 IonicContact OE1-CZ 3.68Å; E402-R440 IonicContact OE1-NE 3.62Å; E402-R440 PolarHBondContact OE1-NE 2.88Å; E402-R440 IonicContact OE1-NH2 2.8Å; E402-R440 PolarHBondContact OE1-NH2 2.64Å; E402-R440 IonicContact OE2-CZ 2.78Å; E402-R440 IonicContact OE2-NE 3.69Å; E402-R440 IonicContact OE2-NH2 2.78Å; E402-R440 PolarHBondContact OE2-NH2 3.48Å
403	E	93	Very high	86.6	Confident	110 Å²	110	66.7 Å²	66.7	51%	0.514	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.5	168.3	179.7	167.5	172.1	0	0	108.7	T381 L383	T381-E403 HydrophobicContact CG2-CG 3.36Å; L383-E403 HydrophobicContact CD2-CB 4.08Å; L383-E403 HydrophobicContact CD2-CG 3.7Å
404	L	94.3	Very high	88.6	Confident	43 Å²	43	68 Å²	68	23%	0.225	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.4	-175.7	-177.8	77.4	0	0	0	111.5	T381 V382 V406 V436	T381-L404 CarbonylContact C-O 3.48Å; T381-L404 VanDerWaalsContact CA-O 3.31Å; T381-L404 WeakPolarHBondContact CA-O 2.93Å; T381-L404 WeakPolarHBondContact CG2-O 3.48Å; V382-L404 PolarHBondContact N-O 3.36Å; V382-L404 PolarHBondContact O-N 3Å; L404-V406 HydrophobicContact CD2-CG2 4.14Å; L404-V406 PolarHBondContact O-N 2.8Å; L404-V406 VanDerWaalsContact O-N 3.17Å; L404-V436 HydrophobicContact CD2-CG1 3.57Å; L404-V436 HydrophobicContact CD2-CG2 4.19Å
405	Q	95.4	Very high	90.4	Very high	83 Å²	83	63 Å²	63	39%	0.388	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	107.2	164.2	-172	62.2	31.8	0	0	109.9	V379 G380 T381 F407	V379-Q405 PolarHBondContact O-NE2 3.37Å; G380-Q405 PolarHBondContact O-NE2 3.03Å; T381-Q405 PolarHBondContact OG1-OE1 2.97Å; Q405-F407 VanDerWaalsContact CG-O 3.26Å; Q405-F407 WeakPolarHBondContact CG-O 3.43Å; Q405-F407 PolarHBondContact NE2-O 2.89Å
406	V	95.2	Very high	92	Very high	12 Å²	12	56.4 Å²	56.4	7%	0.073	30%	0.303	C	S	.	.			trans	-77.4	-45.5	-175.1	-178	0	0	0	0	110.9	G380 V382 L404 V427 A434 V436	G380-V406 PolarHBondContact O-N 2.86Å; V382-V406 HydrophobicContact CB-CG2 4.18Å; V382-V406 HydrophobicContact CG2-CG2 3.6Å; L404-V406 HydrophobicContact CD2-CG2 4.14Å; L404-V406 PolarHBondContact O-N 2.8Å; L404-V406 VanDerWaalsContact O-N 3.17Å; V406-V427 HydrophobicContact CG1-CB 4.11Å; V406-V427 HydrophobicContact CG1-CG1 4.18Å; V406-V427 HydrophobicContact CG1-CG2 4.35Å; V406-V427 HydrophobicContact CG2-CG1 4.3Å; V406-V427 HydrophobicContact CG2-CG2 4.3Å; V406-A434 HydrophobicContact CG1-CB 3.42Å; V406-A434 VanDerWaalsContact CG1-CB 3.42Å; V406-V436 HydrophobicContact CG1-CG2 4.27Å
407	F	89.3	Confident	93.1	Very high	24 Å²	24	60.1 Å²	60.1	11%	0.105	32%	0.32	C	S	.	.	S	Bend	trans	-105	137.8	-177.7	-59.2	-77.9	0	0	0	110.6	Q405 V409 I411 I413 V427 S429 A431 A434	Q405-F407 VanDerWaalsContact CG-O 3.26Å; Q405-F407 WeakPolarHBondContact CG-O 3.43Å; Q405-F407 PolarHBondContact NE2-O 2.89Å; F407-V409 PolarHBondContact O-N 2.93Å; F407-I411 HydrophobicContact CB-CG2 3.71Å; F407-I411 HydrophobicContact CD2-CG2 3.73Å; F407-I411 HydrophobicContact CG-CG2 3.74Å; F407-I413 HydrophobicContact CE2-CG1 4.5Å; F407-V427 HydrophobicContact CE2-CG1 3.95Å; F407-V427 HydrophobicContact CZ-CG1 4.39Å; F407-S429 WeakPolarHBondContact CE1-OG 3.46Å; F407-S429 WeakPolarHBondContact CE2-OG 3.41Å; F407-S429 WeakPolarHBondContact CZ-OG 3.12Å; F407-A431 HydrophobicContact CD1-CB 4.4Å; F407-A434 HydrophobicContact CE1-CB 4.26Å; F407-A434 HydrophobicContact CZ-CB 4.29Å
408	K	86.9	Confident	93.7	Very high	194 Å²	194	58.1 Å²	58.1	84%	0.843	31%	0.312	S	S	*	.	S	Bend	trans	-58.8	-32.8	-179	-68.8	-175.8	178.3	-179	0	113.5
409	V	90.1	Very high	94	Very high	105 Å²	105	56.4 Å²	56.4	64%	0.636	31%	0.307	S	S	*	.	S	Bend	trans	-103	133.4	176.2	-179.4	0	0	0	0	107	F407 I411	F407-V409 PolarHBondContact O-N 2.93Å; V409-I411 PolarHBondContact O-N 3.48Å; V409-I411 VanDerWaalsContact O-N 3.08Å
410	P	94.4	Very high	94.2	Very high	95 Å²	95	59.2 Å²	59.2	62%	0.617	32%	0.323	S	S	*	.			trans	-56.7	115.3	173.8	-25.1	34.8	0	0	0	110.5	V379	V379-P410 HydrophobicContact CB-CB 4.37Å; V379-P410 VanDerWaalsContact O-CA 3.22Å; V379-P410 WeakPolarHBondContact O-CA 3.48Å
411	I	95.2	Very high	94.2	Very high	35 Å²	35	66.7 Å²	66.7	18%	0.179	35%	0.352	C	S	.	.			trans	-147.6	137.5	-177	-167.2	170.6	0	0	0	110	V379 G380 F407 V409 I413 A430 A431	V379-I411 CarbonylContact C-O 3.3Å; V379-I411 PolarHBondContact O-N 2.88Å; G380-I411 WeakPolarHBondContact CA-O 3.48Å; G380-I411 PolarHBondContact N-O 3.02Å; F407-I411 HydrophobicContact CB-CG2 3.71Å; F407-I411 HydrophobicContact CD2-CG2 3.73Å; F407-I411 HydrophobicContact CG-CG2 3.74Å; V409-I411 PolarHBondContact O-N 3.48Å; V409-I411 VanDerWaalsContact O-N 3.08Å; I411-I413 PolarHBondContact O-N 3.13Å; I411-A430 HydrophobicContact CD1-CB 4.04Å; I411-A431 HydrophobicContact CD1-CB 3.74Å; I411-A431 HydrophobicContact CG2-CB 4.43Å
412	P	97.2	Very high	94.3	Very high	64 Å²	64	74.6 Å²	74.6	42%	0.416	38%	0.381	S	S	.	.			trans	-58.7	134.3	-177	-24.5	31.3	0	0	0	113.6	D378 T414 S429	D378-P412 HydrophobicContact CB-CB 4.46Å; D378-P412 VanDerWaalsContact O-CA 3.24Å; D378-P412 WeakPolarHBondContact O-CA 3.3Å; D378-P412 WeakPolarHBondContact O-CD 3.27Å; D378-P412 VanDerWaalsContact O-CG 3.28Å; D378-P412 WeakPolarHBondContact O-CG 3.09Å; P412-T414 PolarHBondContact O-N 2.96Å; P412-S429 VanDerWaalsContact O-CB 3.23Å; P412-S429 WeakPolarHBondContact O-CB 3.31Å
413	I	97.8	Very high	94.4	Very high	4 Å²	4	74.7 Å²	74.7	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	121.2	165.5	-63.7	174.8	0	0	0	107.6	Q357 T377 T381 V382 F407 I411 S415 V427 G428	Q357-I413 HydrophobicContact CG-CG2 4.28Å; T377-I413 PolarHBondContact O-N 2.73Å; T381-I413 VanDerWaalsContact O-CD1 3.24Å; T381-I413 WeakPolarHBondContact O-CD1 3.21Å; V382-I413 HydrophobicContact CG2-CD1 3.61Å; F407-I413 HydrophobicContact CE2-CG1 4.5Å; I411-I413 PolarHBondContact O-N 3.13Å; I413-S415 WeakPolarHBondContact CG2-O 3.19Å; I413-V427 HydrophobicContact CB-CG1 4.43Å; I413-V427 HydrophobicContact CD1-CG1 3.64Å; I413-V427 HydrophobicContact CG1-CG1 3.76Å; I413-V427 HydrophobicContact CG2-CG1 3.84Å; I413-G428 WeakPolarHBondContact CA-O 3.39Å
414	T	95.2	Very high	94.5	Very high	89 Å²	89	69.6 Å²	69.6	55%	0.546	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-19.5	-177.4	54.9	0	0	0	0	112.9	P412 G428	P412-T414 PolarHBondContact O-N 2.96Å; T414-G428 PolarHBondContact N-O 3.48Å; T414-G428 PolarHBondContact OG1-O 3.18Å
415	S	95.6	Very high	94.7	Very high	46 Å²	46	67.6 Å²	67.6	32%	0.322	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	146.2	174.4	64.8	0	0	0	0	111.1	I413 G428	I413-S415 WeakPolarHBondContact CG2-O 3.19Å; S415-G428 PolarHBondContact N-O 2.72Å; S415-G428 PolarHBondContact O-N 3.19Å; S415-G428 WeakPolarHBondContact OG-CA 3.3Å
416	L	97.5	Very high	94.8	Very high	9 Å²	9	66.6 Å²	66.6	5%	0.047	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	121.2	177.9	-166.3	64	0	0	0	109.4	Q357 V359 F374 V382 L425 V427	Q357-L416 HydrophobicContact CB-CB 3.64Å; Q357-L416 HydrophobicContact CB-CD2 4.18Å; Q357-L416 HydrophobicContact CG-CB 4.31Å; V359-L416 HydrophobicContact CG1-CB 4.3Å; V359-L416 HydrophobicContact CG1-CD2 4.4Å; V359-L416 HydrophobicContact CG1-CG 4.1Å; V359-L416 WeakPolarHBondContact CG1-O 3.33Å; V359-L416 HydrophobicContact CG2-CD2 3.88Å; V359-L416 HydrophobicContact CG2-CG 3.91Å; F374-L416 HydrophobicContact CB-CD2 4.43Å; F374-L416 WeakPolarHBondContact O-CD2 3.4Å; V382-L416 HydrophobicContact CG2-CD1 4.5Å; L416-L425 HydrophobicContact CD1-CD1 3.71Å; L416-L425 HydrophobicContact CD1-CD2 3.91Å; L416-L425 HydrophobicContact CD1-CG 3.76Å; L416-L425 HydrophobicContact CG-CD1 3.94Å; L416-V427 HydrophobicContact CD1-CB 4.36Å; L416-V427 HydrophobicContact CD1-CG1 4.35Å; L416-V427 HydrophobicContact CD1-CG2 3.8Å
417	D	97.1	Very high	94.9	Very high	103 Å²	103	66 Å²	66	55%	0.551	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.3	-179.9	-80.5	-67.7	0	0	0	110.9	L425 Y426	D417-L425 CarbonylContact O-C 3.4Å; D417-L425 WeakPolarHBondContact O-CA 3.21Å; D417-Y426 PolarHBondContact N-O 2.73Å; D417-Y426 PolarHBondContact O-N 2.86Å
418	I	97.4	Very high	95.3	Very high	38 Å²	38	65 Å²	65	20%	0.195	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.9	-179.1	-172.6	165.3	0	0	0	111.9	F232 V359 D361 F374 V420 L425 L438	F232-I418 HydrophobicContact CE2-CG2 4.14Å; F232-I418 HydrophobicContact CZ-CG2 4.09Å; V359-I418 HydrophobicContact CB-CB 4.11Å; V359-I418 HydrophobicContact CB-CG2 3.9Å; V359-I418 HydrophobicContact CG1-CG2 4.36Å; V359-I418 HydrophobicContact CG2-CB 3.89Å; V359-I418 HydrophobicContact CG2-CG2 4.25Å; D361-I418 HydrophobicContact CB-CD1 3.74Å; F374-I418 HydrophobicContact CD2-CD1 4.27Å; F374-I418 HydrophobicContact CE2-CD1 4.16Å; I418-V420 HydrophobicContact CD1-CG2 4.24Å; I418-V420 HydrophobicContact CG1-CG2 4.23Å; I418-L425 HydrophobicContact CB-CD1 4.41Å; I418-L438 HydrophobicContact CD1-CD1 4.08Å; I418-L438 HydrophobicContact CD1-CD2 3.77Å; I418-L438 HydrophobicContact CG1-CD1 4.21Å; I418-L438 HydrophobicContact CG1-CD2 3.92Å
419	S	95.8	Very high	95.7	Very high	28 Å²	28	56.4 Å²	56.4	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	93.8	167	-171.1	0	0	0	0	110.1	K421 R422 Q423 A424	S419-K421 PolarHBondContact O-N 2.96Å; S419-R422 CarbonylContact O-C 3.35Å; S419-R422 PolarHBondContact O-N 3.36Å; S419-R422 WeakPolarHBondContact OG-CB 3.36Å; S419-R422 WeakPolarHBondContact OG-CG 3.17Å; S419-R422 PolarHBondContact OG-N 3.39Å; S419-Q423 WeakPolarHBondContact O-CA 3.4Å; S419-Q423 PolarHBondContact O-N 2.11Å; S419-A424 PolarHBondContact N-O 3.43Å; S419-A424 PolarHBondContact O-N 2.82Å; S419-A424 VanDerWaalsContact O-N 3.11Å
420	V	94.1	Very high	95.8	Very high	63 Å²	63	55.9 Å²	55.9	38%	0.382	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-39.8	174.7	-175	0	0	0	0	110.5	D361 I418 R422 Q423	D361-V420 VanDerWaalsContact OD1-CG2 3.25Å; D361-V420 WeakPolarHBondContact OD1-CG2 3.34Å; I418-V420 HydrophobicContact CD1-CG2 4.24Å; I418-V420 HydrophobicContact CG1-CG2 4.23Å; V420-R422 PolarHBondContact O-N 3.31Å; V420-Q423 VanDerWaalsContact O-CD 3.29Å; V420-Q423 WeakPolarHBondContact O-CG 3.07Å; V420-Q423 PolarHBondContact O-N 3.4Å; V420-Q423 VanDerWaalsContact O-N 3.16Å; V420-Q423 PolarHBondContact O-NE2 3.16Å
421	K	92.9	Very high	95.7	Very high	204 Å²	204	54.9 Å²	54.9	89%	0.887	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-40.5	177.1	-175.2	177.1	179	178.9	0	113.1	S419 Q423	S419-K421 PolarHBondContact O-N 2.96Å; K421-Q423 VanDerWaalsContact C-N 3.32Å
422	R	93.4	Very high	95.6	Very high	182 Å²	182	54.8 Å²	54.8	69%	0.687	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.9	178.1	-63.6	-179.8	178.7	-98.2	3.7	112.9	S419 V420 A424 Y426	S419-R422 CarbonylContact O-C 3.35Å; S419-R422 PolarHBondContact O-N 3.36Å; S419-R422 WeakPolarHBondContact OG-CB 3.36Å; S419-R422 WeakPolarHBondContact OG-CG 3.17Å; S419-R422 PolarHBondContact OG-N 3.39Å; V420-R422 PolarHBondContact O-N 3.31Å; R422-A424 HydrophobicContact CB-CB 4.33Å; R422-A424 PolarHBondContact O-N 2.73Å; R422-Y426 WeakPolarHBondContact CD-OH 3.49Å
423	Q	93.8	Very high	95.4	Very high	38 Å²	38	56 Å²	56	18%	0.178	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	42.3	-175.3	-66.7	-67.4	-43.6	0	0	112.6	S419 V420 K421 L438 R468	S419-Q423 WeakPolarHBondContact O-CA 3.4Å; S419-Q423 PolarHBondContact O-N 2.11Å; V420-Q423 VanDerWaalsContact O-CD 3.29Å; V420-Q423 WeakPolarHBondContact O-CG 3.07Å; V420-Q423 PolarHBondContact O-N 3.4Å; V420-Q423 VanDerWaalsContact O-N 3.16Å; V420-Q423 PolarHBondContact O-NE2 3.16Å; K421-Q423 VanDerWaalsContact C-N 3.32Å; Q423-L438 PolarHBondContact O-N 2.74Å; Q423-R468 VanDerWaalsContact CD-CZ 3.5Å; Q423-R468 VanDerWaalsContact CG-NH1 3.29Å; Q423-R468 VanDerWaalsContact NE2-NH2 3.12Å; Q423-R468 VanDerWaalsContact OE1-NH2 3.17Å
424	A	96.3	Very high	95.3	Very high	2 Å²	2	55.9 Å²	55.9	2%	0.017	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.1	-174.3	0	0	0	0	0	112.3	S419 R422 Y426 Q435 V436	S419-A424 PolarHBondContact N-O 3.43Å; S419-A424 PolarHBondContact O-N 2.82Å; S419-A424 VanDerWaalsContact O-N 3.11Å; R422-A424 HydrophobicContact CB-CB 4.33Å; R422-A424 PolarHBondContact O-N 2.73Å; A424-Y426 HydrophobicContact CB-CE2 4.32Å; A424-Q435 HydrophobicContact CB-CG 3.93Å; A424-V436 CarbonylContact C-O 3.53Å; A424-V436 WeakPolarHBondContact CA-O 3.23Å
425	L	97.8	Very high	95.3	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.4	168.7	-173.8	72.4	0	0	0	107.9	V359 F374 V382 L416 D417 I418 V427 Q435 V436 L438	V359-L425 HydrophobicContact CG2-CD1 3.45Å; V359-L425 VanDerWaalsContact CG2-CD1 3.45Å; F374-L425 HydrophobicContact CB-CD1 4.23Å; F374-L425 HydrophobicContact CB-CD2 4.29Å; F374-L425 HydrophobicContact CD1-CD2 4.03Å; F374-L425 HydrophobicContact CG-CD1 4.39Å; F374-L425 HydrophobicContact CG-CD2 4.37Å; V382-L425 HydrophobicContact CG1-CD2 3.84Å; V382-L425 HydrophobicContact CG2-CD2 4.39Å; L416-L425 HydrophobicContact CD1-CD1 3.71Å; L416-L425 HydrophobicContact CD1-CD2 3.91Å; L416-L425 HydrophobicContact CD1-CG 3.76Å; L416-L425 HydrophobicContact CG-CD1 3.94Å; D417-L425 CarbonylContact O-C 3.4Å; D417-L425 WeakPolarHBondContact O-CA 3.21Å; I418-L425 HydrophobicContact CB-CD1 4.41Å; L425-V427 HydrophobicContact CD2-CG2 4.03Å; L425-V427 HydrophobicContact CG-CG2 4.08Å; L425-Q435 WeakPolarHBondContact O-CA 3.37Å; L425-V436 HydrophobicContact CB-CB 4.29Å; L425-V436 PolarHBondContact N-O 3.33Å; L425-V436 PolarHBondContact O-N 3.3Å; L425-L438 HydrophobicContact CB-CD2 3.96Å
426	Y	97.4	Very high	95.2	Very high	62 Å²	62	54.2 Å²	54.2	24%	0.243	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.1	175.3	-62.1	-84.1	0	0	0	108.4	D417 R422 A424 A434 Q435	D417-Y426 PolarHBondContact N-O 2.73Å; D417-Y426 PolarHBondContact O-N 2.86Å; R422-Y426 WeakPolarHBondContact CD-OH 3.49Å; A424-Y426 HydrophobicContact CB-CE2 4.32Å; Y426-A434 WeakPolarHBondContact CA-O 3.45Å; Y426-Q435 HydrophobicContact CD1-CB 4.38Å; Y426-Q435 HydrophobicContact CD1-CG 4.33Å; Y426-Q435 HydrophobicContact CE1-CB 4.33Å; Y426-Q435 HydrophobicContact CE1-CG 3.97Å
427	V	97.9	Very high	95.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.2	-174.3	-170.8	0	0	0	0	108.6	V382 V406 F407 I413 L416 L425 V433 A434 V436	V382-V427 HydrophobicContact CG2-CG1 4.33Å; V382-V427 HydrophobicContact CG2-CG2 4.11Å; V406-V427 HydrophobicContact CG1-CB 4.11Å; V406-V427 HydrophobicContact CG1-CG1 4.18Å; V406-V427 HydrophobicContact CG1-CG2 4.35Å; V406-V427 HydrophobicContact CG2-CG1 4.3Å; V406-V427 HydrophobicContact CG2-CG2 4.3Å; F407-V427 HydrophobicContact CE2-CG1 3.95Å; F407-V427 HydrophobicContact CZ-CG1 4.39Å; I413-V427 HydrophobicContact CB-CG1 4.43Å; I413-V427 HydrophobicContact CD1-CG1 3.64Å; I413-V427 HydrophobicContact CG1-CG1 3.76Å; I413-V427 HydrophobicContact CG2-CG1 3.84Å; L416-V427 HydrophobicContact CD1-CB 4.36Å; L416-V427 HydrophobicContact CD1-CG1 4.35Å; L416-V427 HydrophobicContact CD1-CG2 3.8Å; L425-V427 HydrophobicContact CD2-CG2 4.03Å; L425-V427 HydrophobicContact CG-CG2 4.08Å; V427-V433 CarbonylContact O-C 3.48Å; V427-V433 WeakPolarHBondContact O-CA 3.31Å; V427-A434 HydrophobicContact CB-CB 4.46Å; V427-A434 PolarHBondContact N-O 2.85Å; V427-A434 PolarHBondContact O-N 3.06Å; V427-V436 HydrophobicContact CG2-CG2 4.11Å
428	G	96.5	Very high	95.1	Very high	4 Å²	4	55.4 Å²	55.4	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.8	178.2	0	0	0	0	0	112.6	I413 T414 S415	I413-G428 WeakPolarHBondContact CA-O 3.39Å; T414-G428 PolarHBondContact N-O 3.48Å; T414-G428 PolarHBondContact OG1-O 3.18Å; S415-G428 PolarHBondContact N-O 2.72Å; S415-G428 PolarHBondContact O-N 3.19Å; S415-G428 WeakPolarHBondContact OG-CA 3.3Å
429	S	95.9	Very high	94.9	Very high	13 Å²	13	55.2 Å²	55.2	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	175.6	167.4	71.4	0	0	0	0	110.1	F407 P412 A431 G432	F407-S429 WeakPolarHBondContact CE1-OG 3.46Å; F407-S429 WeakPolarHBondContact CE2-OG 3.41Å; F407-S429 WeakPolarHBondContact CZ-OG 3.12Å; P412-S429 VanDerWaalsContact O-CB 3.23Å; P412-S429 WeakPolarHBondContact O-CB 3.31Å; S429-A431 PolarHBondContact O-N 2.97Å; S429-A431 VanDerWaalsContact O-N 3.13Å; S429-A431 PolarHBondContact OG-N 2.99Å; S429-A431 VanDerWaalsContact OG-N 3.16Å; S429-G432 PolarHBondContact N-O 2.77Å; S429-G432 PolarHBondContact O-N 3.14Å
430	A	93.1	Very high	94.8	Very high	94 Å²	94	56.6 Å²	56.6	78%	0.777	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.2	172.6	0	0	0	0	0	113.6	I411	I411-A430 HydrophobicContact CD1-CB 4.04Å
431	A	92.1	Very high	94.8	Very high	74 Å²	74	53.8 Å²	53.8	61%	0.612	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-16.7	173.8	0	0	0	0	0	113.2	F407 I411 S429	F407-A431 HydrophobicContact CD1-CB 4.4Å; I411-A431 HydrophobicContact CD1-CB 3.74Å; I411-A431 HydrophobicContact CG2-CB 4.43Å; S429-A431 PolarHBondContact O-N 2.97Å; S429-A431 VanDerWaalsContact O-N 3.13Å; S429-A431 PolarHBondContact OG-N 2.99Å; S429-A431 VanDerWaalsContact OG-N 3.16Å
432	G	92.3	Very high	94.6	Very high	32 Å²	32	52 Å²	52	33%	0.33	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	136.9	-165	-179.2	0	0	0	0	0	113.3	S429	S429-G432 PolarHBondContact N-O 2.77Å; S429-G432 PolarHBondContact O-N 3.14Å
433	V	94	Very high	94.4	Very high	90 Å²	90	46.9 Å²	46.9	55%	0.545	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.8	-178.7	-178.1	0	0	0	0	110.3	V427	V427-V433 CarbonylContact O-C 3.48Å; V427-V433 WeakPolarHBondContact O-CA 3.31Å
434	A	94.4	Very high	94.1	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.8	173	0	0	0	0	0	110.6	L2 V406 F407 Y426 V427	L2-A434 HydrophobicContact CD1-CB 3.81Å; V406-A434 HydrophobicContact CG1-CB 3.42Å; V406-A434 VanDerWaalsContact CG1-CB 3.42Å; F407-A434 HydrophobicContact CE1-CB 4.26Å; F407-A434 HydrophobicContact CZ-CB 4.29Å; Y426-A434 WeakPolarHBondContact CA-O 3.45Å; V427-A434 HydrophobicContact CB-CB 4.46Å; V427-A434 PolarHBondContact N-O 2.85Å; V427-A434 PolarHBondContact O-N 3.06Å
435	Q	94.9	Very high	93.3	Very high	87 Å²	87	47.1 Å²	47.1	41%	0.407	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.6	168.6	-174.5	-175.2	-7.8	0	0	109.3	V5 A424 L425 Y426	V5-Q435 HydrophobicContact CG2-CB 4.38Å; A424-Q435 HydrophobicContact CB-CG 3.93Å; L425-Q435 WeakPolarHBondContact O-CA 3.37Å; Y426-Q435 HydrophobicContact CD1-CB 4.38Å; Y426-Q435 HydrophobicContact CD1-CG 4.33Å; Y426-Q435 HydrophobicContact CE1-CB 4.33Å; Y426-Q435 HydrophobicContact CE1-CG 3.97Å
436	V	95.1	Very high	92.4	Very high	12 Å²	12	55.6 Å²	55.6	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.8	-177.1	-176.7	0	0	0	0	108.8	L404 V406 A424 L425 V427	L404-V436 HydrophobicContact CD2-CG1 3.57Å; L404-V436 HydrophobicContact CD2-CG2 4.19Å; V406-V436 HydrophobicContact CG1-CG2 4.27Å; A424-V436 CarbonylContact C-O 3.53Å; A424-V436 WeakPolarHBondContact CA-O 3.23Å; L425-V436 HydrophobicContact CB-CB 4.29Å; L425-V436 PolarHBondContact N-O 3.33Å; L425-V436 PolarHBondContact O-N 3.3Å; V427-V436 HydrophobicContact CG2-CG2 4.11Å
437	K	95.8	Very high	91.8	Very high	136 Å²	136	53.6 Å²	53.6	59%	0.591	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	143.6	174.7	-67.1	-177.7	178.4	178.7	0	110.1	H439	K437-H439 WeakPolarHBondContact CB-O 3.28Å; K437-H439 PolarHBondContact O-N 3.5Å
438	L	96.1	Very high	91.2	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	30%	0.301	C	S	.	.	S	Bend	trans	-66	-23.6	176	-61.5	178.5	0	0	0	113.1	F374 K384 I418 Q423 L425 Y458	F374-L438 HydrophobicContact CE1-CD2 4.21Å; F374-L438 HydrophobicContact CE2-CD2 3.97Å; F374-L438 HydrophobicContact CZ-CB 4.15Å; F374-L438 HydrophobicContact CZ-CD2 3.73Å; K384-L438 PolarHBondContact NZ-O 3.27Å; I418-L438 HydrophobicContact CD1-CD1 4.08Å; I418-L438 HydrophobicContact CD1-CD2 3.77Å; I418-L438 HydrophobicContact CG1-CD1 4.21Å; I418-L438 HydrophobicContact CG1-CD2 3.92Å; Q423-L438 PolarHBondContact O-N 2.74Å; L425-L438 HydrophobicContact CB-CD2 3.96Å; L438-Y458 HydrophobicContact CB-CE1 4.14Å; L438-Y458 HydrophobicContact CD1-CE1 4.45Å
439	H	94.1	Very high	90.7	Very high	34 Å²	34	53.9 Å²	53.9	16%	0.157	30%	0.301	C	S	.	.			trans	-137.1	145.7	178.3	68	93.5	0	0	0	110.5	K437 Y458 R468	K437-H439 WeakPolarHBondContact CB-O 3.28Å; K437-H439 PolarHBondContact O-N 3.5Å; H439-Y458 VanDerWaalsContact CB-CB 3.44Å; H439-Y458 HydrophobicContact CB-CD1 4.38Å; H439-Y458 HydrophobicContact CB-CG 3.95Å; H439-R468 PolarHBondContact CD2-NH1 3.35Å; H439-R468 PolarHBondContact NE2-NH1 3.16Å
440	R	93.1	Very high	90.2	Very high	58 Å²	58	54.7 Å²	54.7	22%	0.219	30%	0.304	C	S	.	.			trans	-131.9	44.1	176.6	-73.9	-174.2	-80.9	-100.6	-13.1	110.6	E402 E442 T443	E402-R440 IonicContact OE1-CZ 3.68Å; E402-R440 IonicContact OE1-NE 3.62Å; E402-R440 PolarHBondContact OE1-NE 2.88Å; E402-R440 IonicContact OE1-NH2 2.8Å; E402-R440 PolarHBondContact OE1-NH2 2.64Å; E402-R440 IonicContact OE2-CZ 2.78Å; E402-R440 IonicContact OE2-NE 3.69Å; E402-R440 IonicContact OE2-NH2 2.78Å; E402-R440 PolarHBondContact OE2-NH2 3.48Å; R440-E442 PolarHBondContact O-N 2.94Å; R440-T443 HydrophobicContact CB-CG2 4Å; R440-T443 WeakPolarHBondContact O-CB 3.25Å; R440-T443 PolarHBondContact O-N 3Å; R440-T443 PolarHBondContact O-OG1 3.42Å
441	C	93.4	Very high	90	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.027	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-47.6	-36.5	-171.4	-48.6	0	0	0	0	114.8	T443 Y444 C459 C466	C441-T443 PolarHBondContact O-N 2.9Å; C441-T443 VanDerWaalsContact O-N 3.14Å; C441-Y444 PolarHBondContact O-N 3.01Å; C441-Y444 VanDerWaalsContact O-N 3.11Å; C441-C459 WeakPolarHBondContact CA-SG 3.47Å; C441-C459 HydrophobicContact CB-CB 3.67Å; C441-C459 WeakPolarHBondContact CB-SG 3.07Å; C441-C459 WeakPolarHBondContact SG-CA 3.43Å; C441-C459 WeakPolarHBondContact SG-CB 3.29Å; C441-C459 CovalentContact SG-SG 2.04Å; C441-C459 PolarHBondContact SG-SG 2.98Å; C441-C466 CarbonylContact C-O 3.57Å; C441-C466 WeakPolarHBondContact CB-O 3.23Å; C441-C466 WeakPolarHBondContact O-CB 3.37Å
442	E	90.2	Very high	89.9	Confident	166 Å²	166	47 Å²	47	78%	0.776	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-58.7	-23	176.7	-62.2	169.2	-158.1	0	0	114.1	R440	R440-E442 PolarHBondContact O-N 2.94Å
443	T	89.1	Confident	89.8	Confident	75 Å²	75	46.3 Å²	46.3	46%	0.46	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-78	-22.8	178.7	62.2	0	0	0	0	112.9	R440 C441 G445 R524	R440-T443 HydrophobicContact CB-CG2 4Å; R440-T443 WeakPolarHBondContact O-CB 3.25Å; R440-T443 PolarHBondContact O-N 3Å; R440-T443 PolarHBondContact O-OG1 3.42Å; C441-T443 PolarHBondContact O-N 2.9Å; C441-T443 VanDerWaalsContact O-N 3.14Å; T443-G445 VanDerWaalsContact C-N 3.27Å; T443-G445 PolarHBondContact O-N 3.3Å; T443-R524 PolarHBondContact O-NH1 2.89Å; T443-R524 VanDerWaalsContact O-NH1 3.12Å
444	Y	86.6	Confident	89.6	Confident	36 Å²	36	42.9 Å²	42.9	14%	0.141	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.1	-179.9	-62.7	-50.5	0	0	0	112.1	C441 E450 A454 D456 C459	C441-Y444 PolarHBondContact O-N 3.01Å; C441-Y444 VanDerWaalsContact O-N 3.11Å; Y444-E450 WeakPolarHBondContact O-CB 3.43Å; Y444-A454 HydrophobicContact CD1-CB 3.56Å; Y444-A454 HydrophobicContact CD2-CB 3.68Å; Y444-A454 HydrophobicContact CE1-CB 3.8Å; Y444-A454 HydrophobicContact CE2-CB 3.92Å; Y444-A454 HydrophobicContact CG-CB 3.51Å; Y444-D456 HydrophobicContact CE2-CB 3.8Å; Y444-D456 PolarHBondContact OH-OD2 3.15Å; Y444-D456 VanDerWaalsContact OH-OD2 3.1Å; Y444-C459 HydrophobicContact CD2-CB 4.38Å; Y444-C459 HydrophobicContact CE2-CB 4.3Å
445	G	78.4	Confident	89.6	Confident	8 Å²	8	43.2 Å²	43.2	8%	0.082	21%	0.21	C	C	.	.			trans	131	-162.8	170.3	0	0	0	0	0	113.2	T443 E450	T443-G445 VanDerWaalsContact C-N 3.27Å; T443-G445 PolarHBondContact O-N 3.3Å; G445-E450 VanDerWaalsContact CA-OE2 3.3Å; G445-E450 WeakPolarHBondContact CA-OE2 3.48Å
446	K	80.6	Confident	89.6	Confident	180 Å²	180	39.1 Å²	39.1	78%	0.783	19%	0.191	S	C	*	.	S	Bend	trans	-117.8	2.9	-174.2	-64.5	-172	-173.3	179.8	0	112.8	E450 W461	K446-E450 PolarHBondContact N-OE2 2.56Å; K446-E450 VanDerWaalsContact N-OE2 3.09Å; K446-W461 WeakPolarHBondContact O-CH2 3.46Å; K446-W461 WeakPolarHBondContact O-CZ3 3.35Å
447	A	83.3	Confident	89.6	Confident	19 Å²	19	38.6 Å²	38.6	16%	0.157	19%	0.188	C	C	.	.	S	Bend	trans	-97.2	147.4	171.8	0	0	0	0	0	111.3	A449 E450 C451 W461	A447-A449 PolarHBondContact O-N 2.82Å; A447-E450 HydrophobicContact CB-CB 4.44Å; A447-E450 HydrophobicContact CB-CG 4.01Å; A447-E450 PolarHBondContact N-OE2 3.04Å; A447-E450 VanDerWaalsContact N-OE2 3.12Å; A447-E450 PolarHBondContact O-N 2.63Å; A447-C451 PolarHBondContact O-N 3.33Å; A447-W461 VanDerWaalsContact C-CZ3 3.44Å
448	C	86.6	Confident	89.6	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-56.2	-42.7	174.5	174.7	0	0	0	0	111.6	C451 C452 W461 C491 Q494	C448-C451 PolarHBondContact O-N 2.87Å; C448-C452 PolarHBondContact O-N 2.74Å; C448-C452 PolarHBondContact O-SG 3.48Å; C448-W461 HydrophobicContact CB-CD2 3.79Å; C448-W461 HydrophobicContact CB-CE3 4.33Å; C448-W461 HydrophobicContact CB-CG 3.93Å; C448-W461 HydrophobicContact CB-CZ2 4.36Å; C448-C491 HydrophobicContact CB-CB 3.77Å; C448-C491 WeakPolarHBondContact CB-SG 3.35Å; C448-C491 WeakPolarHBondContact SG-CB 3.03Å; C448-C491 CovalentContact SG-SG 2.04Å; C448-C491 PolarHBondContact SG-SG 3.09Å; C448-Q494 VanDerWaalsContact CB-OE1 3.28Å
449	A	85.8	Confident	89.6	Confident	7 Å²	7	32.4 Å²	32.4	6%	0.058	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-44.9	-178.2	0	0	0	0	0	112.6	A447 C451 C452 L453 A487 C491 F578	A447-A449 PolarHBondContact O-N 2.82Å; A449-C451 VanDerWaalsContact C-N 3.27Å; A449-C451 PolarHBondContact O-N 2.69Å; A449-C452 PolarHBondContact O-N 2.97Å; A449-L453 WeakPolarHBondContact O-CB 3.34Å; A449-L453 VanDerWaalsContact O-CG 3.3Å; A449-L453 WeakPolarHBondContact O-CG 3.38Å; A449-L453 PolarHBondContact O-N 2.78Å; A449-A487 HydrophobicContact CB-CB 3.82Å; A449-C491 PolarHBondContact N-SG 3.49Å; A449-C491 VanDerWaalsContact N-SG 3.43Å; A449-F578 HydrophobicContact CB-CD1 4.28Å; A449-F578 HydrophobicContact CB-CD2 4.26Å; A449-F578 HydrophobicContact CB-CE1 3.56Å; A449-F578 HydrophobicContact CB-CE2 3.58Å; A449-F578 HydrophobicContact CB-CZ 3.18Å
450	E	85.1	Confident	89.5	Confident	31 Å²	31	31 Å²	31	15%	0.145	16%	0.155	C	C	.	.	H	α-helix	trans	-58.2	-40.7	176.6	-66	177	133.8	0	0	111.7	Y444 G445 K446 A447 A454	Y444-E450 WeakPolarHBondContact O-CB 3.43Å; G445-E450 VanDerWaalsContact CA-OE2 3.3Å; G445-E450 WeakPolarHBondContact CA-OE2 3.48Å; K446-E450 PolarHBondContact N-OE2 2.56Å; K446-E450 VanDerWaalsContact N-OE2 3.09Å; A447-E450 HydrophobicContact CB-CB 4.44Å; A447-E450 HydrophobicContact CB-CG 4.01Å; A447-E450 PolarHBondContact N-OE2 3.04Å; A447-E450 VanDerWaalsContact N-OE2 3.12Å; A447-E450 PolarHBondContact O-N 2.63Å; E450-A454 PolarHBondContact O-N 3.01Å
451	C	89.9	Confident	89.4	Confident	4 Å²	4	28.7 Å²	28.7	3%	0.027	15%	0.147	C	C	.	.	H	α-helix	trans	-68.5	-39.6	178.3	-164.3	0	0	0	0	112.7	A447 C448 A449 W461 C466	A447-C451 PolarHBondContact O-N 3.33Å; C448-C451 PolarHBondContact O-N 2.87Å; A449-C451 VanDerWaalsContact C-N 3.27Å; A449-C451 PolarHBondContact O-N 2.69Å; C451-W461 HydrophobicContact CB-CB 4.29Å; C451-W461 HydrophobicContact CB-CE3 4.2Å; C451-W461 PolarHBondContact SG-N 2.91Å; C451-C466 VanDerWaalsContact CA-SG 3.53Å; C451-C466 HydrophobicContact CB-CB 3.51Å; C451-C466 WeakPolarHBondContact CB-SG 3.33Å; C451-C466 WeakPolarHBondContact SG-CA 3.46Å; C451-C466 WeakPolarHBondContact SG-CB 3.46Å; C451-C466 CovalentContact SG-SG 2.04Å; C451-C466 PolarHBondContact SG-SG 3.18Å
452	C	89.6	Confident	89.1	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-70.9	-40	178.7	-64.1	0	0	0	0	111.8	C448 A449 A454 R455 A487	C448-C452 PolarHBondContact O-N 2.74Å; C448-C452 PolarHBondContact O-SG 3.48Å; A449-C452 PolarHBondContact O-N 2.97Å; C452-A454 VanDerWaalsContact C-N 3.25Å; C452-A454 PolarHBondContact O-N 2.86Å; C452-R455 PolarHBondContact O-N 3.27Å; C452-A487 HydrophobicContact CB-CB 4.19Å
453	L	89.3	Confident	88.8	Confident	16 Å²	16	23.8 Å²	23.8	8%	0.084	13%	0.132	C	C	.	.	H	α-helix	trans	-66.5	-26.2	177.6	-71.7	169.5	0	0	0	112.9	A449 R455 A487 E575 F578	A449-L453 WeakPolarHBondContact O-CB 3.34Å; A449-L453 VanDerWaalsContact O-CG 3.3Å; A449-L453 WeakPolarHBondContact O-CG 3.38Å; A449-L453 PolarHBondContact O-N 2.78Å; L453-R455 PolarHBondContact O-N 2.84Å; L453-A487 HydrophobicContact CD2-CB 4.35Å; L453-A487 HydrophobicContact CG-CB 4.06Å; L453-E575 HydrophobicContact CD2-CB 4.45Å; L453-E575 HydrophobicContact CD2-CG 4.17Å; L453-F578 HydrophobicContact CD1-CB 4.42Å; L453-F578 HydrophobicContact CD1-CD1 3.66Å; L453-F578 HydrophobicContact CD1-CE1 4.28Å; L453-F578 HydrophobicContact CD1-CG 4.26Å; L453-F578 HydrophobicContact CD2-CB 4.4Å
454	A	90.8	Very high	88.6	Confident	18 Å²	18	24 Å²	24	15%	0.149	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.9	176.3	0	0	0	0	0	113.5	L401 Y444 E450 C452 D456	L401-A454 WeakPolarHBondContact CD2-O 3.22Å; Y444-A454 HydrophobicContact CD1-CB 3.56Å; Y444-A454 HydrophobicContact CD2-CB 3.68Å; Y444-A454 HydrophobicContact CE1-CB 3.8Å; Y444-A454 HydrophobicContact CE2-CB 3.92Å; Y444-A454 HydrophobicContact CG-CB 3.51Å; E450-A454 PolarHBondContact O-N 3.01Å; C452-A454 VanDerWaalsContact C-N 3.25Å; C452-A454 PolarHBondContact O-N 2.86Å; A454-D456 PolarHBondContact O-N 2.91Å
455	R	92.9	Very high	88.7	Confident	10 Å²	10	24.4 Å²	24.4	4%	0.038	15%	0.145	C	C	.	.			trans	51.8	17.3	178.7	-63.2	169.8	77.8	-178.4	8.9	114.8	E397 L401 C452 L453 P457 V482 K483	E397-R455 IonicContact OE1-CZ 3.45Å; E397-R455 VanDerWaalsContact OE1-CZ 3.31Å; E397-R455 IonicContact OE1-NH1 2.93Å; E397-R455 PolarHBondContact OE1-NH1 2.8Å; E397-R455 IonicContact OE1-NH2 2.62Å; E397-R455 PolarHBondContact OE1-NH2 3.11Å; E397-R455 IonicContact OE2-NH2 2.75Å; E397-R455 PolarHBondContact OE2-NH2 3.24Å; L401-R455 HydrophobicContact CD2-CB 4.13Å; L401-R455 WeakPolarHBondContact CD2-O 3.28Å; C452-R455 PolarHBondContact O-N 3.27Å; L453-R455 PolarHBondContact O-N 2.84Å; R455-P457 VanDerWaalsContact O-CD 3.3Å; R455-P457 WeakPolarHBondContact O-CD 3.2Å; R455-V482 PolarHBondContact NE-O 2.93Å; R455-V482 WeakPolarHBondContact O-CG1 3.27Å; R455-K483 PolarHBondContact NH2-O 2.82Å
456	D	95.4	Very high	89.3	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.142	C	C	.	.			trans	-77	116.2	-177.4	-176	-9.3	0	0	0	109.9	K384 Y444 A454 Y458 C459 Q480	K384-D456 WeakPolarHBondContact CE-OD1 3.5Å; K384-D456 IonicContact NZ-OD1 2.94Å; K384-D456 PolarHBondContact NZ-OD1 2.76Å; K384-D456 IonicContact NZ-OD2 3.01Å; K384-D456 PolarHBondContact NZ-OD2 3.35Å; Y444-D456 HydrophobicContact CE2-CB 3.8Å; Y444-D456 PolarHBondContact OH-OD2 3.15Å; Y444-D456 VanDerWaalsContact OH-OD2 3.1Å; A454-D456 PolarHBondContact O-N 2.91Å; D456-Y458 PolarHBondContact O-N 2.9Å; D456-Y458 WeakPolarHBondContact OD1-CB 3.47Å; D456-Y458 VanDerWaalsContact OD1-CD2 3.28Å; D456-Y458 WeakPolarHBondContact OD1-CD2 3.49Å; D456-Y458 PolarHBondContact OD1-N 2.71Å; D456-C459 HydrophobicContact CB-CB 4.08Å; D456-C459 PolarHBondContact O-N 3.23Å; D456-C459 VanDerWaalsContact O-O 3.05Å; D456-C459 PolarHBondContact OD2-SG 3.4Å; D456-Q480 PolarHBondContact O-NE2 3.17Å
457	P	96.1	Very high	89.8	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.9	-179.3	-24.5	34.1	0	0	0	113.8	V363 A365 Y370 V372 I386 R455 C459 Q480 V482	V363-P457 HydrophobicContact CB-CB 4.26Å; V363-P457 HydrophobicContact CG1-CB 4.06Å; A365-P457 HydrophobicContact CB-CB 4.25Å; Y370-P457 HydrophobicContact CD2-CB 4.12Å; Y370-P457 HydrophobicContact CD2-CG 4.11Å; Y370-P457 HydrophobicContact CG-CB 4.33Å; Y370-P457 HydrophobicContact CG-CG 3.92Å; V372-P457 HydrophobicContact CG2-CB 4.41Å; V372-P457 HydrophobicContact CG2-CG 3.95Å; I386-P457 HydrophobicContact CD1-CG 4.48Å; I386-P457 HydrophobicContact CG2-CG 4.2Å; R455-P457 VanDerWaalsContact O-CD 3.3Å; R455-P457 WeakPolarHBondContact O-CD 3.2Å; P457-C459 VanDerWaalsContact C-N 3.25Å; P457-C459 PolarHBondContact O-N 2.76Å; P457-Q480 PolarHBondContact O-NE2 3.35Å; P457-V482 HydrophobicContact CB-CG2 4.25Å; P457-V482 HydrophobicContact CG-CG1 3.99Å; P457-V482 HydrophobicContact CG-CG2 4.16Å
458	Y	96.1	Very high	90.3	Very high	5 Å²	5	20.4 Å²	20.4	2%	0.02	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9	176.6	-66	-87.9	0	0	0	113.8	D361 V363 V372 F374 K384 L438 H439 D456 R468 F469	D361-Y458 WeakPolarHBondContact CB-OH 3.46Å; D361-Y458 VanDerWaalsContact CG-OH 3.23Å; D361-Y458 PolarHBondContact OD2-OH 2.98Å; V363-Y458 HydrophobicContact CG1-CD1 3.96Å; V363-Y458 HydrophobicContact CG1-CE1 4.06Å; V363-Y458 HydrophobicContact CG1-CG 4.23Å; V363-Y458 HydrophobicContact CG2-CD1 4.24Å; V363-Y458 HydrophobicContact CG2-CD2 4.29Å; V363-Y458 HydrophobicContact CG2-CE1 3.56Å; V363-Y458 HydrophobicContact CG2-CE2 3.68Å; V363-Y458 WeakPolarHBondContact CG2-OH 3.37Å; V372-Y458 HydrophobicContact CB-CE2 4.09Å; V372-Y458 HydrophobicContact CG1-CE2 4.07Å; V372-Y458 HydrophobicContact CG2-CD2 4.43Å; V372-Y458 HydrophobicContact CG2-CE2 3.86Å; F374-Y458 HydrophobicContact CE2-CE2 4.49Å; F374-Y458 HydrophobicContact CZ-CE2 4.04Å; K384-Y458 VanDerWaalsContact NZ-CD2 3.3Å; L438-Y458 HydrophobicContact CB-CE1 4.14Å; L438-Y458 HydrophobicContact CD1-CE1 4.45Å; H439-Y458 VanDerWaalsContact CB-CB 3.44Å; H439-Y458 HydrophobicContact CB-CD1 4.38Å; H439-Y458 HydrophobicContact CB-CG 3.95Å; D456-Y458 PolarHBondContact O-N 2.9Å; D456-Y458 WeakPolarHBondContact OD1-CB 3.47Å; D456-Y458 VanDerWaalsContact OD1-CD2 3.28Å; D456-Y458 WeakPolarHBondContact OD1-CD2 3.49Å; D456-Y458 PolarHBondContact OD1-N 2.71Å; Y458-R468 CarbonylContact O-C 3.59Å; Y458-R468 VanDerWaalsContact O-CA 3.32Å; Y458-R468 WeakPolarHBondContact O-CA 3.48Å; Y458-F469 PolarHBondContact O-N 2.93Å
459	C	94.8	Very high	90.5	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.3	-168.7	-58.8	0	0	0	0	112.2	C441 Y444 D456 P457 A467 Q480	C441-C459 WeakPolarHBondContact CA-SG 3.47Å; C441-C459 HydrophobicContact CB-CB 3.67Å; C441-C459 WeakPolarHBondContact CB-SG 3.07Å; C441-C459 WeakPolarHBondContact SG-CA 3.43Å; C441-C459 WeakPolarHBondContact SG-CB 3.29Å; C441-C459 CovalentContact SG-SG 2.04Å; C441-C459 PolarHBondContact SG-SG 2.98Å; Y444-C459 HydrophobicContact CD2-CB 4.38Å; Y444-C459 HydrophobicContact CE2-CB 4.3Å; D456-C459 HydrophobicContact CB-CB 4.08Å; D456-C459 PolarHBondContact O-N 3.23Å; D456-C459 VanDerWaalsContact O-O 3.05Å; D456-C459 PolarHBondContact OD2-SG 3.4Å; P457-C459 VanDerWaalsContact C-N 3.25Å; P457-C459 PolarHBondContact O-N 2.76Å; C459-A467 CarbonylContact C-O 3.54Å; C459-A467 WeakPolarHBondContact CA-O 3.42Å; C459-Q480 PolarHBondContact O-NE2 3.19Å
460	A	93.4	Very high	90.5	Very high	5 Å²	5	24.2 Å²	24.2	4%	0.041	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	149.8	176.1	0	0	0	0	0	110	D462 A467 F469 R478 Q480	A460-D462 PolarHBondContact O-N 3.21Å; A460-A467 PolarHBondContact N-O 3.16Å; A460-A467 PolarHBondContact O-N 3.2Å; A460-A467 VanDerWaalsContact O-O 3.04Å; A460-F469 HydrophobicContact CB-CB 4.27Å; A460-F469 HydrophobicContact CB-CD2 3.94Å; A460-R478 HydrophobicContact CB-CG 4Å; A460-Q480 HydrophobicContact CB-CB 3.91Å; A460-Q480 HydrophobicContact CB-CG 4.33Å
461	W	91.1	Very high	90.3	Very high	9 Å²	9	26.2 Å²	26.2	3%	0.034	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	129.3	170.8	-179.9	-110.1	0	0	0	108.9	K446 A447 C448 C451 G463 S464 R478 R479	K446-W461 WeakPolarHBondContact O-CH2 3.46Å; K446-W461 WeakPolarHBondContact O-CZ3 3.35Å; A447-W461 VanDerWaalsContact C-CZ3 3.44Å; C448-W461 HydrophobicContact CB-CD2 3.79Å; C448-W461 HydrophobicContact CB-CE3 4.33Å; C448-W461 HydrophobicContact CB-CG 3.93Å; C448-W461 HydrophobicContact CB-CZ2 4.36Å; C451-W461 HydrophobicContact CB-CB 4.29Å; C451-W461 HydrophobicContact CB-CE3 4.2Å; C451-W461 PolarHBondContact SG-N 2.91Å; W461-G463 VanDerWaalsContact CZ2-C 3.46Å; W461-G463 WeakPolarHBondContact CZ2-O 3.13Å; W461-G463 VanDerWaalsContact NE1-CA 3.27Å; W461-S464 WeakPolarHBondContact CH2-O 3.44Å; W461-R478 VanDerWaalsContact O-CA 3.24Å; W461-R478 WeakPolarHBondContact O-CA 3.3Å; W461-R479 HydrophobicContact CB-CB 4.1Å; W461-R479 PolarHBondContact N-O 3.35Å; W461-R479 PolarHBondContact O-N 2.84Å; W461-R479 VanDerWaalsContact O-N 3.13Å
462	D	86.4	Confident	89.3	Confident	38 Å²	38	33.6 Å²	33.6	20%	0.203	20%	0.2	C	C	.	.			trans	-100.4	3.2	-176.2	87.7	-25	0	0	0	114.6	A460 S464 S465 A467 R475	A460-D462 PolarHBondContact O-N 3.21Å; D462-S464 WeakPolarHBondContact OD1-CA 3.47Å; D462-S464 PolarHBondContact OD1-N 2.88Å; D462-S464 PolarHBondContact OD1-OG 2.75Å; D462-S465 PolarHBondContact N-O 2.73Å; D462-S465 VanDerWaalsContact N-O 3.13Å; D462-S465 PolarHBondContact OD1-N 3.08Å; D462-S465 VanDerWaalsContact OD1-O 3.14Å; D462-A467 HydrophobicContact CB-CB 4.15Å; D462-R475 IonicContact OD2-NH1 3.82Å; D462-R475 PolarHBondContact OD2-NH1 2.78Å
463	G	84.4	Confident	88.1	Confident	29 Å²	29	35.7 Å²	35.7	30%	0.299	22%	0.215	S	C	.	.	S	Bend	trans	104.1	-20.1	-170.8	0	0	0	0	0	113.6	W461	W461-G463 VanDerWaalsContact CZ2-C 3.46Å; W461-G463 WeakPolarHBondContact CZ2-O 3.13Å; W461-G463 VanDerWaalsContact NE1-CA 3.27Å
464	S	83.2	Confident	86.6	Confident	81 Å²	81	45.1 Å²	45.1	57%	0.566	26%	0.255	S	S	*	.	S	Bend	trans	-131.9	-34.3	-174.8	68.7	0	0	0	0	114.7	W461 D462	W461-S464 WeakPolarHBondContact CH2-O 3.44Å; D462-S464 WeakPolarHBondContact OD1-CA 3.47Å; D462-S464 PolarHBondContact OD1-N 2.88Å; D462-S464 PolarHBondContact OD1-OG 2.75Å
465	S	88.8	Confident	85.4	Confident	44 Å²	44	51 Å²	51	31%	0.308	27%	0.274	S	S	.	.	S	Bend	trans	-154.5	164.3	179.8	59.8	0	0	0	0	110.6	D462 A467	D462-S465 PolarHBondContact N-O 2.73Å; D462-S465 VanDerWaalsContact N-O 3.13Å; D462-S465 PolarHBondContact OD1-N 3.08Å; D462-S465 VanDerWaalsContact OD1-O 3.14Å; S465-A467 PolarHBondContact O-N 3.05Å
466	C	91.4	Very high	84.3	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	113.4	170.6	-161.7	0	0	0	0	109.5	C441 C451	C441-C466 CarbonylContact C-O 3.57Å; C441-C466 WeakPolarHBondContact CB-O 3.23Å; C441-C466 WeakPolarHBondContact O-CB 3.37Å; C451-C466 VanDerWaalsContact CA-SG 3.53Å; C451-C466 HydrophobicContact CB-CB 3.51Å; C451-C466 WeakPolarHBondContact CB-SG 3.33Å; C451-C466 WeakPolarHBondContact SG-CA 3.46Å; C451-C466 WeakPolarHBondContact SG-CB 3.46Å; C451-C466 CovalentContact SG-SG 2.04Å; C451-C466 PolarHBondContact SG-SG 3.18Å
467	A	92.3	Very high	83	Confident	27 Å²	27	67.6 Å²	67.6	22%	0.223	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	170.6	-172.7	0	0	0	0	0	111.1	C459 A460 D462 S465 F469	C459-A467 CarbonylContact C-O 3.54Å; C459-A467 WeakPolarHBondContact CA-O 3.42Å; A460-A467 PolarHBondContact N-O 3.16Å; A460-A467 PolarHBondContact O-N 3.2Å; A460-A467 VanDerWaalsContact O-O 3.04Å; D462-A467 HydrophobicContact CB-CB 4.15Å; S465-A467 PolarHBondContact O-N 3.05Å; A467-F469 PolarHBondContact O-N 3.35Å
468	R	92.5	Very high	82.5	Confident	94 Å²	94	69.5 Å²	69.5	36%	0.355	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	132.2	177.4	-171.9	-161.6	166.9	88.5	4.4	110.6	Q423 H439 Y458 V470	Q423-R468 VanDerWaalsContact CD-CZ 3.5Å; Q423-R468 VanDerWaalsContact CG-NH1 3.29Å; Q423-R468 VanDerWaalsContact NE2-NH2 3.12Å; Q423-R468 VanDerWaalsContact OE1-NH2 3.17Å; H439-R468 PolarHBondContact CD2-NH1 3.35Å; H439-R468 PolarHBondContact NE2-NH1 3.16Å; Y458-R468 CarbonylContact O-C 3.59Å; Y458-R468 VanDerWaalsContact O-CA 3.32Å; Y458-R468 WeakPolarHBondContact O-CA 3.48Å; R468-V470 PolarHBondContact O-N 2.65Å
469	F	91.2	Very high	82.2	Confident	18 Å²	18	71.7 Å²	71.7	8%	0.079	36%	0.355	C	S	.	.			trans	-65.1	130.8	169	-178.4	-102	0	0	0	110.6	E364 A365 E366 Y458 A460 A467 P471	E364-F469 HydrophobicContact CB-CE1 4.47Å; E364-F469 WeakPolarHBondContact O-CD1 3.47Å; E364-F469 WeakPolarHBondContact O-CE1 3.38Å; A365-F469 VanDerWaalsContact C-CZ 3.47Å; E366-F469 HydrophobicContact CB-CE2 4.11Å; Y458-F469 PolarHBondContact O-N 2.93Å; A460-F469 HydrophobicContact CB-CB 4.27Å; A460-F469 HydrophobicContact CB-CD2 3.94Å; A467-F469 PolarHBondContact O-N 3.35Å; F469-P471 HydrophobicContact CE1-CG 4.02Å
470	V	86.3	Confident	82	Confident	73 Å²	73	72.1 Å²	72.1	44%	0.442	36%	0.357	S	S	.	.			trans	-130.5	117.2	176.7	-178.5	0	0	0	0	108	R468 R478	R468-V470 PolarHBondContact O-N 2.65Å; V470-R478 PolarHBondContact O-NH2 3.16Å; V470-R478 VanDerWaalsContact O-NH2 3.09Å
471	P	80.1	Confident	81.8	Confident	72 Å²	72	72.6 Å²	72.6	47%	0.468	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	145	176.3	-24.9	33	0	0	0	111.7	E364 F469 S473	E364-P471 HydrophobicContact CB-CG 4.24Å; F469-P471 HydrophobicContact CE1-CG 4.02Å; P471-S473 PolarHBondContact O-N 2.88Å; P471-S473 VanDerWaalsContact O-N 3.1Å
472	N	70.3	Confident	81.9	Confident	160 Å²	160	72.2 Å²	72.2	86%	0.856	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	11.1	174.8	-61.9	-26	0	0	0	117.3	K474	N472-K474 PolarHBondContact O-N 3.47Å
473	S	63.2	Low	82	Confident	46 Å²	46	74.7 Å²	74.7	32%	0.322	37%	0.367	S	S	.	.			trans	-73.5	115.3	168.5	112	0	0	0	0	109	P471 R475 R478	P471-S473 PolarHBondContact O-N 2.88Å; P471-S473 VanDerWaalsContact O-N 3.1Å; S473-R475 VanDerWaalsContact C-N 3.35Å; S473-R475 PolarHBondContact O-N 2.92Å; S473-R478 VanDerWaalsContact CB-NH2 3.26Å; S473-R478 PolarHBondContact O-NH1 2.67Å; S473-R478 PolarHBondContact O-NH2 2.68Å; S473-R478 PolarHBondContact OG-NH2 3.4Å
474	K	58.9	Low	82.2	Confident	215 Å²	215	79 Å²	79	94%	0.935	38%	0.379	S	S	*	.			trans	-77.8	85.1	177.5	-68.4	-171.1	-176.7	-177.4	0	109.2	N472	N472-K474 PolarHBondContact O-N 3.47Å
475	R	64.9	Low	82.3	Confident	141 Å²	141	75.2 Å²	75.2	53%	0.532	35%	0.352	S	S	.	.			trans	-117.3	116.7	166.1	-69.6	-167.2	178.7	-172.4	4.2	109	D462 S473 F477 R478	D462-R475 IonicContact OD2-NH1 3.82Å; D462-R475 PolarHBondContact OD2-NH1 2.78Å; S473-R475 VanDerWaalsContact C-N 3.35Å; S473-R475 PolarHBondContact O-N 2.92Å; R475-F477 PolarHBondContact O-N 3.35Å; R475-R478 PolarHBondContact O-N 3.24Å; R475-R478 VanDerWaalsContact O-N 3.17Å
476	R	68.6	Low	82.2	Confident	229 Å²	229	75.4 Å²	75.4	86%	0.864	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-18.5	178.7	-119.5	-177.8	-88.1	-174.3	-4.9	113.7	R479	R476-R479 PolarHBondContact O-NH1 2.67Å; R476-R479 VanDerWaalsContact O-NH1 3.08Å
477	F	70.1	Confident	82	Confident	130 Å²	130	75.5 Å²	75.5	57%	0.57	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	9.1	-173.1	-51.3	-73.9	0	0	0	114.2	R475 R479	R475-F477 PolarHBondContact O-N 3.35Å; F477-R479 PolarHBondContact O-N 3.3Å
478	R	85.5	Confident	81.6	Confident	40 Å²	40	77.7 Å²	77.7	15%	0.151	36%	0.361	C	S	.	.			trans	-64.8	135.2	174.4	-173.8	-172.5	-64.5	131.1	0.7	109.7	A460 W461 V470 S473 R475	A460-R478 HydrophobicContact CB-CG 4Å; W461-R478 VanDerWaalsContact O-CA 3.24Å; W461-R478 WeakPolarHBondContact O-CA 3.3Å; V470-R478 PolarHBondContact O-NH2 3.16Å; V470-R478 VanDerWaalsContact O-NH2 3.09Å; S473-R478 VanDerWaalsContact CB-NH2 3.26Å; S473-R478 PolarHBondContact O-NH1 2.67Å; S473-R478 PolarHBondContact O-NH2 2.68Å; S473-R478 PolarHBondContact OG-NH2 3.4Å; R475-R478 PolarHBondContact O-N 3.24Å; R475-R478 VanDerWaalsContact O-N 3.17Å
479	R	88.6	Confident	81.2	Confident	52 Å²	52	79.1 Å²	79.1	20%	0.196	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-135.9	127.5	170.2	-54.2	-66.9	-177.8	-97.8	1.2	110.4	W461 R476 F477 Q490 D493	W461-R479 HydrophobicContact CB-CB 4.1Å; W461-R479 PolarHBondContact N-O 3.35Å; W461-R479 PolarHBondContact O-N 2.84Å; W461-R479 VanDerWaalsContact O-N 3.13Å; R476-R479 PolarHBondContact O-NH1 2.67Å; R476-R479 VanDerWaalsContact O-NH1 3.08Å; F477-R479 PolarHBondContact O-N 3.3Å; R479-Q490 HydrophobicContact CB-CB 4.18Å; R479-Q490 WeakPolarHBondContact CD-O 2.96Å; R479-Q490 VanDerWaalsContact CG-O 3.3Å; R479-Q490 WeakPolarHBondContact CG-O 3.49Å; R479-Q490 PolarHBondContact NE-O 2.97Å; R479-D493 IonicContact NH2-OD2 2.97Å; R479-D493 PolarHBondContact NH2-OD2 3.05Å
480	Q	91.4	Very high	80.8	Confident	10 Å²	10	80.8 Å²	80.8	5%	0.047	38%	0.383	C	S	.	.			trans	-149	137.9	172.7	-171.6	-177.6	42.8	0	0	108.8	E366 D456 P457 C459 A460 V482	E366-Q480 HydrophobicContact CB-CB 4.09Å; E366-Q480 PolarHBondContact OE2-N 3.1Å; D456-Q480 PolarHBondContact O-NE2 3.17Å; P457-Q480 PolarHBondContact O-NE2 3.35Å; C459-Q480 PolarHBondContact O-NE2 3.19Å; A460-Q480 HydrophobicContact CB-CB 3.91Å; A460-Q480 HydrophobicContact CB-CG 4.33Å; Q480-V482 HydrophobicContact CG-CG2 4.05Å
481	D	89.6	Confident	80.6	Confident	16 Å²	16	78 Å²	78	9%	0.086	37%	0.367	C	S	.	.			trans	-146.5	84.6	173.9	-179	5.2	0	0	0	109.2	H484 G485 N486 Q490	D481-H484 IonicContact OD1-CD2 3.25Å; D481-H484 PolarHBondContact OD1-N 2.78Å; D481-H484 WeakPolarHBondContact OD2-CB 3.4Å; D481-G485 VanDerWaalsContact O-CA 3.29Å; D481-G485 WeakPolarHBondContact O-CA 3.46Å; D481-G485 PolarHBondContact O-N 2.92Å; D481-G485 PolarHBondContact OD2-N 3.42Å; D481-N486 WeakPolarHBondContact OD2-CB 3.18Å; D481-N486 PolarHBondContact OD2-N 3.43Å; D481-Q490 HydrophobicContact CB-CG 3.88Å
482	V	92.3	Very high	80.2	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-46.3	-178.8	171.6	0	0	0	0	110.1	A365 Y370 I386 R455 P457 Q480	A365-V482 HydrophobicContact CB-CG2 4.2Å; Y370-V482 HydrophobicContact CD1-CG1 3.88Å; Y370-V482 HydrophobicContact CD2-CB 4.47Å; Y370-V482 HydrophobicContact CD2-CG1 4.05Å; Y370-V482 HydrophobicContact CE1-CB 4.34Å; Y370-V482 HydrophobicContact CE1-CG1 3.53Å; Y370-V482 HydrophobicContact CE2-CB 3.79Å; Y370-V482 HydrophobicContact CE2-CG1 3.68Å; Y370-V482 HydrophobicContact CE2-CG2 4.17Å; Y370-V482 HydrophobicContact CG-CG1 4.13Å; I386-V482 HydrophobicContact CD1-CG1 3.62Å; R455-V482 PolarHBondContact NE-O 2.93Å; R455-V482 WeakPolarHBondContact O-CG1 3.27Å; P457-V482 HydrophobicContact CB-CG2 4.25Å; P457-V482 HydrophobicContact CG-CG1 3.99Å; P457-V482 HydrophobicContact CG-CG2 4.16Å; Q480-V482 HydrophobicContact CG-CG2 4.05Å
483	K	89.2	Confident	79.7	Confident	91 Å²	91	76.4 Å²	76.4	40%	0.396	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-45.9	-172.7	-171.6	172.2	-179.7	177.3	0	112.8	D367 R455	D367-K483 WeakPolarHBondContact OD2-CB 3.44Å; D367-K483 PolarHBondContact OD2-N 2.87Å; R455-K483 PolarHBondContact NH2-O 2.82Å
484	H	87.1	Confident	79.2	Confident	119 Å²	119	76.9 Å²	76.9	55%	0.551	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-18.7	-171.7	-56.6	-74.5	0	0	0	114.1	D481 N486	D481-H484 IonicContact OD1-CD2 3.25Å; D481-H484 PolarHBondContact OD1-N 2.78Å; D481-H484 WeakPolarHBondContact OD2-CB 3.4Å; H484-N486 HydrophobicContact CB-CB 4.48Å; H484-N486 PolarHBondContact O-N 3.11Å
485	G	87.1	Confident	78.5	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.01	34%	0.341	C	S	.	.			trans	61.8	28.8	-177.8	0	0	0	0	0	113.5	D481 A487	D481-G485 VanDerWaalsContact O-CA 3.29Å; D481-G485 WeakPolarHBondContact O-CA 3.46Å; D481-G485 PolarHBondContact O-N 2.92Å; D481-G485 PolarHBondContact OD2-N 3.42Å; G485-A487 PolarHBondContact O-N 3.28Å
486	N	86.1	Confident	77.2	Confident	49 Å²	49	71.1 Å²	71.1	26%	0.262	35%	0.348	S	S	.	.			trans	-83.5	80.1	-171	-166.8	-19.8	0	0	0	112.5	D481 H484 V488 L489 Q490	D481-N486 WeakPolarHBondContact OD2-CB 3.18Å; D481-N486 PolarHBondContact OD2-N 3.43Å; H484-N486 HydrophobicContact CB-CB 4.48Å; H484-N486 PolarHBondContact O-N 3.11Å; N486-V488 PolarHBondContact O-N 2.79Å; N486-V488 PolarHBondContact OD1-N 3.28Å; N486-L489 VanDerWaalsContact ND2-CD1 3.33Å; N486-L489 WeakPolarHBondContact ND2-CD1 3.21Å; N486-L489 PolarHBondContact O-N 2.93Å; N486-L489 PolarHBondContact OD1-N 3.31Å; N486-L489 VanDerWaalsContact OD1-N 3.17Å; N486-Q490 WeakPolarHBondContact O-CB 3.29Å; N486-Q490 VanDerWaalsContact O-CG 3.28Å; N486-Q490 WeakPolarHBondContact O-CG 3.47Å; N486-Q490 PolarHBondContact O-N 2.82Å; N486-Q490 VanDerWaalsContact O-N 3.16Å
487	A	86.3	Confident	75.6	Confident	2 Å²	2	62.5 Å²	62.5	2%	0.017	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-33.2	176.7	0	0	0	0	0	113.7	A449 C452 L453 G485 Q490 C491 F578	A449-A487 HydrophobicContact CB-CB 3.82Å; C452-A487 HydrophobicContact CB-CB 4.19Å; L453-A487 HydrophobicContact CD2-CB 4.35Å; L453-A487 HydrophobicContact CG-CB 4.06Å; G485-A487 PolarHBondContact O-N 3.28Å; A487-Q490 PolarHBondContact O-N 2.78Å; A487-C491 VanDerWaalsContact O-CB 3.25Å; A487-C491 WeakPolarHBondContact O-CB 3.41Å; A487-C491 PolarHBondContact O-N 3Å; A487-C491 PolarHBondContact O-SG 2.89Å; A487-F578 HydrophobicContact CB-CB 4.31Å; A487-F578 HydrophobicContact CB-CD2 3.86Å; A487-F578 HydrophobicContact CB-CE2 4.4Å; A487-F578 HydrophobicContact CB-CG 4.04Å
488	V	83.9	Confident	74.2	Confident	74 Å²	74	60.4 Å²	60.4	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-63.6	-45.9	-177.8	178.8	0	0	0	0	111.1	N486 V492 F578	N486-V488 PolarHBondContact O-N 2.79Å; N486-V488 PolarHBondContact OD1-N 3.28Å; V488-V492 WeakPolarHBondContact O-CG2 3.23Å; V488-F578 HydrophobicContact CG2-CB 4.33Å; V488-F578 HydrophobicContact CG2-CD2 3.93Å
489	L	83.9	Confident	72.2	Confident	124 Å²	124	66.4 Å²	66.4	65%	0.649	38%	0.375	S	S	*	.	H	α-helix	trans	-76.1	-32.5	-179.9	-109.4	150.8	0	0	0	112.7	N486 V492	N486-L489 VanDerWaalsContact ND2-CD1 3.33Å; N486-L489 WeakPolarHBondContact ND2-CD1 3.21Å; N486-L489 PolarHBondContact O-N 2.93Å; N486-L489 PolarHBondContact OD1-N 3.31Å; N486-L489 VanDerWaalsContact OD1-N 3.17Å; L489-V492 WeakPolarHBondContact O-CG2 3.49Å
490	Q	83.5	Confident	69.9	Low	52 Å²	52	70.9 Å²	70.9	24%	0.243	40%	0.403	C	S	.	.	H	α-helix	trans	-77.7	-32.9	-178.2	-69.1	-60.7	-24.6	0	0	112.8	R479 D481 N486 A487	R479-Q490 HydrophobicContact CB-CB 4.18Å; R479-Q490 WeakPolarHBondContact CD-O 2.96Å; R479-Q490 VanDerWaalsContact CG-O 3.3Å; R479-Q490 WeakPolarHBondContact CG-O 3.49Å; R479-Q490 PolarHBondContact NE-O 2.97Å; D481-Q490 HydrophobicContact CB-CG 3.88Å; N486-Q490 WeakPolarHBondContact O-CB 3.29Å; N486-Q490 VanDerWaalsContact O-CG 3.28Å; N486-Q490 WeakPolarHBondContact O-CG 3.47Å; N486-Q490 PolarHBondContact O-N 2.82Å; N486-Q490 VanDerWaalsContact O-N 3.16Å; A487-Q490 PolarHBondContact O-N 2.78Å
491	C	82.4	Confident	67.7	Low	15 Å²	15	74.9 Å²	74.9	10%	0.101	42%	0.424	C	S	.	.	S	Bend	trans	-107.3	20.5	-170.1	-55.3	0	0	0	0	114.3	C448 A449 A487 D493 Q494	C448-C491 HydrophobicContact CB-CB 3.77Å; C448-C491 WeakPolarHBondContact CB-SG 3.35Å; C448-C491 WeakPolarHBondContact SG-CB 3.03Å; C448-C491 CovalentContact SG-SG 2.04Å; C448-C491 PolarHBondContact SG-SG 3.09Å; A449-C491 PolarHBondContact N-SG 3.49Å; A449-C491 VanDerWaalsContact N-SG 3.43Å; A487-C491 VanDerWaalsContact O-CB 3.25Å; A487-C491 WeakPolarHBondContact O-CB 3.41Å; A487-C491 PolarHBondContact O-N 3Å; A487-C491 PolarHBondContact O-SG 2.89Å; C491-D493 VanDerWaalsContact C-N 3.29Å; C491-D493 PolarHBondContact O-N 3.35Å; C491-Q494 PolarHBondContact O-N 2.81Å; C491-Q494 VanDerWaalsContact O-N 3.11Å
492	V	71.7	Confident	65.9	Low	77 Å²	77	76.4 Å²	76.4	47%	0.467	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-56.5	-37.9	-175.2	-175.7	0	0	0	0	113.1	V488 L489 Q494 N495	V488-V492 WeakPolarHBondContact O-CG2 3.23Å; L489-V492 WeakPolarHBondContact O-CG2 3.49Å; V492-Q494 PolarHBondContact O-N 3.29Å; V492-N495 WeakPolarHBondContact O-CB 3.45Å; V492-N495 PolarHBondContact O-N 2.97Å
493	D	58.7	Low	64.1	Low	122 Å²	122	81 Å²	81	65%	0.652	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-71.1	-8.8	-177.5	-62.3	-39.8	0	0	0	113.9	R479 C491	R479-D493 IonicContact NH2-OD2 2.97Å; R479-D493 PolarHBondContact NH2-OD2 3.05Å; C491-D493 VanDerWaalsContact C-N 3.29Å; C491-D493 PolarHBondContact O-N 3.35Å
494	Q	53.4	Low	62.7	Low	56 Å²	56	79 Å²	79	26%	0.262	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-101.5	2.5	176.2	-68.6	-171.8	-7.8	0	0	113.2	C448 C491 V492 V496 L501	C448-Q494 VanDerWaalsContact CB-OE1 3.28Å; C491-Q494 PolarHBondContact O-N 2.81Å; C491-Q494 VanDerWaalsContact O-N 3.11Å; V492-Q494 PolarHBondContact O-N 3.29Å; Q494-V496 PolarHBondContact O-N 2.88Å; Q494-L501 HydrophobicContact CB-CD1 4.22Å; Q494-L501 WeakPolarHBondContact O-CD1 3.45Å
495	N	43.7	Very low	61.6	Low	122 Å²	122	78.2 Å²	78.2	65%	0.652	45%	0.452	S	S	*	.			trans	-69.1	54	168	-75.8	-29.8	0	0	0	112.1	V492 G497	V492-N495 WeakPolarHBondContact O-CB 3.45Å; V492-N495 PolarHBondContact O-N 2.97Å; N495-G497 VanDerWaalsContact C-N 3.34Å; N495-G497 PolarHBondContact O-N 3.05Å
496	V	39	Very low	61.3	Low	113 Å²	113	83.7 Å²	83.7	69%	0.685	48%	0.481	S	S	*	.	S	Bend	trans	-80.1	89.7	161.7	-176	0	0	0	0	106	Q494	Q494-V496 PolarHBondContact O-N 2.88Å
497	G	34.9	Very low	61.3	Low	47 Å²	47	85.3 Å²	85.3	49%	0.485	49%	0.486	S	S	.	.			trans	69.4	117	170.1	0	0	0	0	0	114.8	N495 E499 D500	N495-G497 VanDerWaalsContact C-N 3.34Å; N495-G497 PolarHBondContact O-N 3.05Å; G497-E499 PolarHBondContact O-N 2.74Å; G497-D500 PolarHBondContact O-N 3.18Å
498	G	39.6	Very low	61.3	Low	87 Å²	87	89 Å²	89	90%	0.897	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	29.3	178.1	0	0	0	0	0	116.3
499	E	43.3	Very low	61.6	Low	165 Å²	165	86.5 Å²	86.5	77%	0.771	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.8	-15.8	177.8	-63.3	-165.8	142.2	0	0	114	G497	G497-E499 PolarHBondContact O-N 2.74Å
500	D	40.2	Very low	61.7	Low	146 Å²	146	85.4 Å²	85.4	78%	0.781	48%	0.481	S	S	*	.	S	Bend	trans	-110.1	-4.1	-170.6	-84.3	-24.1	0	0	0	115.8	G497	G497-D500 PolarHBondContact O-N 3.18Å
501	L	46.9	Very low	61.8	Low	95 Å²	95	83 Å²	83	50%	0.497	47%	0.469	S	S	.	.	S	Bend	trans	-99.7	-7.3	177.9	-86.8	179.4	0	0	0	114.7	Q494 V503	Q494-L501 HydrophobicContact CB-CD1 4.22Å; Q494-L501 WeakPolarHBondContact O-CD1 3.45Å; L501-V503 PolarHBondContact O-N 3.42Å
502	D	51.6	Low	61.9	Low	48 Å²	48	82.5 Å²	82.5	26%	0.257	47%	0.466	S	S	.	.	S	Bend	trans	-65.3	127.8	172.2	-86.4	-29	0	0	0	108	T504 T581	D502-T504 HydrophobicContact CB-CG2 3.56Å; D502-T504 PolarHBondContact O-N 2.81Å; D502-T504 PolarHBondContact O-OG1 3.04Å; D502-T581 WeakPolarHBondContact OD1-CA 3.42Å; D502-T581 WeakPolarHBondContact OD1-CB 3.43Å; D502-T581 PolarHBondContact OD1-N 2.79Å; D502-T581 PolarHBondContact OD1-OG1 3.25Å; D502-T581 WeakPolarHBondContact OD2-CB 3.39Å; D502-T581 PolarHBondContact OD2-OG1 2.6Å
503	V	53.3	Low	62.5	Low	95 Å²	95	81.2 Å²	81.2	58%	0.576	46%	0.455	S	S	*	.			trans	-70.3	68.3	157.3	-176.1	0	0	0	0	105.7	L501 E505	L501-V503 PolarHBondContact O-N 3.42Å; V503-E505 VanDerWaalsContact C-N 3.34Å; V503-E505 PolarHBondContact O-N 3.49Å
504	T	59.5	Low	63.7	Low	49 Å²	49	81.9 Å²	81.9	30%	0.301	45%	0.452	S	S	.	.			trans	-73.9	93.1	177.9	26.5	0	0	0	0	107.3	D502 D506 T581 R584	D502-T504 HydrophobicContact CB-CG2 3.56Å; D502-T504 PolarHBondContact O-N 2.81Å; D502-T504 PolarHBondContact O-OG1 3.04Å; T504-D506 PolarHBondContact O-N 3.23Å; T504-T581 HydrophobicContact CG2-CG2 4.44Å; T504-R584 HydrophobicContact CG2-CB 4.47Å; T504-R584 VanDerWaalsContact CG2-CD 3.45Å; T504-R584 HydrophobicContact CG2-CG 3.78Å
505	E	65.1	Low	65.1	Low	104 Å²	104	80 Å²	80	49%	0.486	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	94.7	153.2	-70.4	-167.9	155.5	0	0	107.4	V503 K507 R584	V503-E505 VanDerWaalsContact C-N 3.34Å; V503-E505 PolarHBondContact O-N 3.49Å; E505-K507 HydrophobicContact CB-CG 4.38Å; E505-K507 PolarHBondContact O-N 2.86Å; E505-K507 WeakPolarHBondContact OE2-CE 3.38Å; E505-K507 IonicContact OE2-NZ 3.74Å; E505-K507 PolarHBondContact OE2-NZ 2.9Å; E505-R584 PolarHBondContact O-N 3.3Å
506	D	80.1	Confident	67.2	Low	115 Å²	115	77.1 Å²	77.1	62%	0.615	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	107.3	167.3	-76.6	-6.7	0	0	0	107.8	T504 R584	T504-D506 PolarHBondContact O-N 3.23Å; D506-R584 WeakPolarHBondContact CA-O 3.22Å; D506-R584 WeakPolarHBondContact OD1-CB 3.36Å
507	K	86	Confident	69.6	Low	84 Å²	84	72.1 Å²	72.1	37%	0.365	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.2	-179.7	-69.8	178.8	-178.8	163.4	0	110	E505 R584 I585 S586	E505-K507 HydrophobicContact CB-CG 4.38Å; E505-K507 PolarHBondContact O-N 2.86Å; E505-K507 WeakPolarHBondContact OE2-CE 3.38Å; E505-K507 IonicContact OE2-NZ 3.74Å; E505-K507 PolarHBondContact OE2-NZ 2.9Å; K507-R584 PolarHBondContact N-O 3.18Å; K507-I585 CarbonylContact O-C 3.51Å; K507-I585 VanDerWaalsContact O-CA 3.31Å; K507-I585 WeakPolarHBondContact O-CA 3.34Å; K507-S586 PolarHBondContact O-N 3.01Å
508	V	87.6	Confident	72.3	Confident	79 Å²	79	73.3 Å²	73.3	48%	0.479	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.2	167.2	-174.7	0	0	0	0	107.6	Y510 S586 Q588	V508-Y510 HydrophobicContact CB-CE2 4.49Å; V508-Y510 HydrophobicContact CG1-CD2 4.33Å; V508-Y510 HydrophobicContact CG1-CE2 3.7Å; V508-S586 WeakPolarHBondContact CA-O 3.46Å; V508-Q588 HydrophobicContact CG1-CG 4.24Å
509	V	89.1	Confident	74.8	Confident	22 Å²	22	69.1 Å²	69.1	13%	0.133	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.6	175.9	174.8	0	0	0	0	107.6	T517 L519 I585 S586 L587 Q588	V509-T517 HydrophobicContact CG1-CG2 4.01Å; V509-L519 HydrophobicContact CB-CD2 4.21Å; V509-L519 HydrophobicContact CG1-CD2 3.96Å; V509-L519 HydrophobicContact CG2-CD2 4.45Å; V509-I585 HydrophobicContact CB-CG2 4.06Å; V509-I585 HydrophobicContact CG2-CG2 3.61Å; V509-S586 PolarHBondContact N-O 3.34Å; V509-L587 HydrophobicContact CB-CD1 4.45Å; V509-L587 HydrophobicContact CG1-CD1 4.2Å; V509-L587 CarbonylContact O-C 3.56Å; V509-L587 WeakPolarHBondContact O-CA 3.08Å; V509-Q588 PolarHBondContact O-N 3.25Å
510	Y	85.8	Confident	77.1	Confident	101 Å²	101	67.1 Å²	67.1	40%	0.396	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132	174.4	-63.3	-92	0	0	0	109.1	V508 Q588 L590	V508-Y510 HydrophobicContact CB-CE2 4.49Å; V508-Y510 HydrophobicContact CG1-CD2 4.33Å; V508-Y510 HydrophobicContact CG1-CE2 3.7Å; Y510-Q588 WeakPolarHBondContact CA-O 3.32Å; Y510-Q588 HydrophobicContact CD1-CB 3.82Å; Y510-Q588 HydrophobicContact CE1-CB 3.97Å; Y510-Q588 HydrophobicContact CE1-CG 4.42Å; Y510-L590 HydrophobicContact CD1-CD1 4.38Å; Y510-L590 HydrophobicContact CD1-CD2 4.3Å; Y510-L590 HydrophobicContact CD1-CG 4.37Å
511	G	85.3	Confident	79.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.7	173.2	0	0	0	0	0	110.4	L561 Q588 V589 L590	G511-L561 VanDerWaalsContact CA-CD2 3.49Å; G511-Q588 PolarHBondContact N-O 2.96Å; G511-V589 CarbonylContact O-C 3.58Å; G511-V589 WeakPolarHBondContact O-CA 3.31Å; G511-L590 PolarHBondContact O-N 2.86Å
512	T	85	Confident	81.4	Confident	5 Å²	5	60 Å²	60	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.6	178.8	-53.6	0	0	0	0	109.7	K514 N515 A592 V595 L647	T512-K514 PolarHBondContact O-N 3.47Å; T512-N515 WeakPolarHBondContact O-CB 3.4Å; T512-N515 PolarHBondContact O-N 3.41Å; T512-N515 VanDerWaalsContact O-N 3.14Å; T512-A592 HydrophobicContact CG2-CB 4.44Å; T512-V595 HydrophobicContact CG2-CB 4.26Å; T512-V595 HydrophobicContact CG2-CG2 3.97Å; T512-L647 WeakPolarHBondContact CB-O 3.47Å; T512-L647 PolarHBondContact OG1-O 3.38Å
513	E	84.9	Confident	83	Confident	51 Å²	51	58.9 Å²	58.9	24%	0.238	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	140	178.5	-158.4	-178	-177.1	0	0	111.8	N515 L561 L590	E513-N515 PolarHBondContact O-N 3.42Å; E513-N515 VanDerWaalsContact O-N 3.1Å; E513-L561 CarbonylContact C-O 3.54Å; E513-L561 WeakPolarHBondContact CA-O 3.49Å; E513-L590 PolarHBondContact N-O 3.4Å
514	K	82.8	Confident	84.1	Confident	136 Å²	136	63.1 Å²	63.1	59%	0.591	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	-8.8	-176.7	-54.1	170.5	-174.8	165.4	0	115.9	T512 H560 L561	T512-K514 PolarHBondContact O-N 3.47Å; K514-H560 PolarHBondContact O-ND1 2.99Å; K514-H560 VanDerWaalsContact O-ND1 3.08Å; K514-L561 PolarHBondContact N-O 3.07Å
515	N	84.3	Confident	85	Confident	17 Å²	17	62 Å²	62	9%	0.091	30%	0.304	C	S	.	.	S	Bend	trans	-85.8	166.7	173.8	-66.9	-20.8	0	0	0	111.9	T512 E513 L561 G649	T512-N515 WeakPolarHBondContact O-CB 3.4Å; T512-N515 PolarHBondContact O-N 3.41Å; T512-N515 VanDerWaalsContact O-N 3.14Å; E513-N515 PolarHBondContact O-N 3.42Å; E513-N515 VanDerWaalsContact O-N 3.1Å; N515-L561 PolarHBondContact O-N 2.93Å; N515-G649 VanDerWaalsContact ND2-CA 3.34Å; N515-G649 WeakPolarHBondContact ND2-CA 3.47Å; N515-G649 PolarHBondContact ND2-N 2.95Å; N515-G649 WeakPolarHBondContact OD1-CA 3.45Å
516	S	86.4	Confident	85.7	Confident	61 Å²	61	63.2 Å²	63.2	43%	0.427	32%	0.32	S	S	.	.			trans	-85.2	135.5	173.3	56.6	0	0	0	0	110.7	F558 R559	S516-F558 CarbonylContact C-O 3.58Å; S516-F558 WeakPolarHBondContact CA-O 3.48Å; S516-R559 WeakPolarHBondContact CA-O 3.38Å
517	T	89.6	Confident	85.7	Confident	8 Å²	8	62.4 Å²	62.4	5%	0.049	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.4	177.4	-59.4	0	0	0	0	109.8	V509 L519 F558 L587	V509-T517 HydrophobicContact CG1-CG2 4.01Å; T517-L519 HydrophobicContact CG2-CD2 4.2Å; T517-F558 PolarHBondContact N-O 3.12Å; T517-F558 PolarHBondContact O-N 3.22Å; T517-L587 HydrophobicContact CG2-CD1 4.09Å
518	F	91.7	Very high	85.7	Confident	71 Å²	71	59.1 Å²	59.1	31%	0.311	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.1	-177.9	-177.1	-108.2	0	0	0	110.3	E520 A552 Q554 L556 L557	F518-E520 HydrophobicContact CD1-CB 4.24Å; F518-E520 HydrophobicContact CE1-CB 3.93Å; F518-E520 HydrophobicContact CE1-CG 4.28Å; F518-A552 HydrophobicContact CE2-CB 4.26Å; F518-Q554 HydrophobicContact CE1-CB 4.35Å; F518-Q554 VanDerWaalsContact CZ-C 3.5Å; F518-Q554 HydrophobicContact CZ-CB 3.85Å; F518-Q554 WeakPolarHBondContact CZ-O 3.47Å; F518-L556 WeakPolarHBondContact CA-O 3.46Å; F518-L557 HydrophobicContact CB-CD1 4.2Å; F518-L557 HydrophobicContact CD2-CB 3.93Å; F518-L557 HydrophobicContact CD2-CD1 4.08Å; F518-L557 HydrophobicContact CE2-CB 4.42Å
519	L	92.8	Very high	85.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	101.4	175.8	-48.2	-172.4	0	0	0	108.3	V509 T517 W532 G555 L556 F558 Y569 I585 L587	V509-L519 HydrophobicContact CB-CD2 4.21Å; V509-L519 HydrophobicContact CG1-CD2 3.96Å; V509-L519 HydrophobicContact CG2-CD2 4.45Å; T517-L519 HydrophobicContact CG2-CD2 4.2Å; L519-W532 HydrophobicContact CB-CH2 3.98Å; L519-W532 HydrophobicContact CB-CZ3 4.37Å; L519-G555 CarbonylContact O-C 3.49Å; L519-G555 VanDerWaalsContact O-CA 3.27Å; L519-G555 WeakPolarHBondContact O-CA 3.44Å; L519-L556 HydrophobicContact CB-CB 4.27Å; L519-L556 HydrophobicContact CD1-CD2 4.35Å; L519-L556 PolarHBondContact N-O 2.92Å; L519-L556 PolarHBondContact O-N 3.23Å; L519-F558 HydrophobicContact CD1-CE2 3.83Å; L519-F558 HydrophobicContact CG-CD2 4.45Å; L519-F558 HydrophobicContact CG-CE2 4.09Å; L519-Y569 HydrophobicContact CD1-CD1 4.17Å; L519-Y569 HydrophobicContact CD1-CD2 3.82Å; L519-Y569 HydrophobicContact CD1-CE2 4.45Å; L519-Y569 HydrophobicContact CD1-CG 3.67Å; L519-I585 HydrophobicContact CB-CD1 3.94Å; L519-I585 HydrophobicContact CD1-CG2 4.4Å; L519-I585 HydrophobicContact CD2-CG2 4.07Å; L519-L587 HydrophobicContact CD2-CD1 4.22Å
520	E	91	Very high	85.8	Confident	123 Å²	123	59.5 Å²	59.5	58%	0.575	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.7	-177.6	-173	178.9	-176.2	0	0	111.3	F518 V522	F518-E520 HydrophobicContact CD1-CB 4.24Å; F518-E520 HydrophobicContact CE1-CB 3.93Å; F518-E520 HydrophobicContact CE1-CG 4.28Å; E520-V522 HydrophobicContact CG-CG2 4.38Å
521	C	90.1	Very high	86.1	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.061	30%	0.299	C	S	.	.			trans	-153.2	115.4	168.3	-176.2	0	0	0	0	109.7	W532 Q554 C571	C521-W532 HydrophobicContact CB-CH2 3.56Å; C521-W532 HydrophobicContact CB-CZ2 3.41Å; C521-W532 VanDerWaalsContact CB-CZ2 3.41Å; C521-Q554 CarbonylContact C-O 3.48Å; C521-Q554 PolarHBondContact N-O 3.33Å; C521-Q554 CarbonylContact O-C 3.6Å; C521-C571 HydrophobicContact CB-CB 3.63Å; C521-C571 WeakPolarHBondContact CB-SG 3.29Å; C521-C571 WeakPolarHBondContact SG-CB 3.45Å; C521-C571 CovalentContact SG-SG 2.01Å; C521-C571 PolarHBondContact SG-SG 2.72Å
522	V	87.4	Confident	86.5	Confident	82 Å²	82	57.3 Å²	57.3	50%	0.497	30%	0.302	S	S	.	.			trans	-122.9	120.3	-177.7	-170.7	0	0	0	0	108.8	E520 Q554	E520-V522 HydrophobicContact CG-CG2 4.38Å; V522-Q554 HydrophobicContact CG2-CB 4.15Å; V522-Q554 HydrophobicContact CG2-CG 4.39Å
523	P	84.5	Confident	86.8	Confident	24 Å²	24	57.9 Å²	57.9	16%	0.156	31%	0.305	C	S	.	.			trans	-67.4	147	174	29.5	-33	0	0	0	110.1	A528 V530 L582	P523-A528 HydrophobicContact CB-CB 3.9Å; P523-A528 HydrophobicContact CG-CB 4.4Å; P523-V530 HydrophobicContact CB-CG2 4.33Å; P523-V530 HydrophobicContact CG-CG2 3.78Å; P523-L582 HydrophobicContact CB-CD1 3.89Å
524	R	78.3	Confident	87.2	Confident	184 Å²	184	56.1 Å²	56.1	69%	0.694	30%	0.298	S	S	*	.	S	Bend	trans	-67.6	-40.2	174.2	-70	-176.1	176.6	-146.5	1.5	112.1	T443	T443-R524 PolarHBondContact O-NH1 2.89Å; T443-R524 VanDerWaalsContact O-NH1 3.12Å
525	S	78.1	Confident	87.5	Confident	27 Å²	27	51.6 Å²	51.6	19%	0.189	28%	0.279	C	S	.	.	S	Bend	trans	-80.7	125.5	175.4	177.8	0	0	0	0	109.5	Q527 A528 E575	S525-Q527 PolarHBondContact O-N 3.46Å; S525-Q527 PolarHBondContact OG-N 3.16Å; S525-A528 PolarHBondContact O-N 2.87Å; S525-E575 WeakPolarHBondContact CB-OE1 3.27Å; S525-E575 WeakPolarHBondContact CB-OE2 3.09Å; S525-E575 VanDerWaalsContact OG-CD 3.31Å; S525-E575 PolarHBondContact OG-OE1 2.96Å; S525-E575 PolarHBondContact OG-OE2 2.84Å
526	P	78.9	Confident	87.3	Confident	128 Å²	128	56.6 Å²	56.6	83%	0.831	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-12.3	172.5	29.9	-34.3	0	0	0	112.6
527	Q	80.4	Confident	86.8	Confident	98 Å²	98	61.1 Å²	61.1	46%	0.458	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-11.2	177.4	-56.3	-178.4	8	0	0	112.3	S525	S525-Q527 PolarHBondContact O-N 3.46Å; S525-Q527 PolarHBondContact OG-N 3.16Å
528	A	85.6	Confident	86.1	Confident	15 Å²	15	68.3 Å²	68.3	12%	0.124	35%	0.354	C	S	.	.			trans	-78.6	134.4	180	0	0	0	0	0	111.6	P523 S525 E575	P523-A528 HydrophobicContact CB-CB 3.9Å; P523-A528 HydrophobicContact CG-CB 4.4Å; S525-A528 PolarHBondContact O-N 2.87Å; A528-E575 HydrophobicContact CB-CB 4.13Å
529	S	88.7	Confident	85.6	Confident	63 Å²	63	73.9 Å²	73.9	44%	0.441	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	144.4	170.2	60.2	0	0	0	0	110.6	S573 R574	S529-S573 CarbonylContact O-C 3.54Å; S529-S573 VanDerWaalsContact O-CA 3.26Å; S529-S573 WeakPolarHBondContact O-CA 3.47Å; S529-R574 PolarHBondContact N-O 3.04Å; S529-R574 PolarHBondContact O-N 3.13Å; S529-R574 PolarHBondContact OG-O 3.21Å; S529-R574 VanDerWaalsContact OG-O 3.05Å
530	V	90.7	Very high	85.4	Confident	46 Å²	46	79.7 Å²	79.7	28%	0.279	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.5	178.9	178.8	0	0	0	0	110.3	P523 C571	P523-V530 HydrophobicContact CB-CG2 4.33Å; P523-V530 HydrophobicContact CG-CG2 3.78Å; V530-C571 WeakPolarHBondContact CG1-SG 3.31Å
531	T	91.6	Very high	85.4	Confident	40 Å²	40	78.5 Å²	78.5	25%	0.245	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.6	173.1	54.4	0	0	0	0	109.3	R572	T531-R572 PolarHBondContact N-O 3.09Å; T531-R572 PolarHBondContact O-N 3.24Å; T531-R572 PolarHBondContact OG1-NE 2.81Å; T531-R572 PolarHBondContact OG1-O 3.02Å
532	W	93.3	Very high	85.4	Confident	16 Å²	16	84.3 Å²	84.3	6%	0.061	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.3	179.1	-74.4	95.3	0	0	0	110.1	L519 C521 V543 L556 C571 I585	L519-W532 HydrophobicContact CB-CH2 3.98Å; L519-W532 HydrophobicContact CB-CZ3 4.37Å; C521-W532 HydrophobicContact CB-CH2 3.56Å; C521-W532 HydrophobicContact CB-CZ2 3.41Å; C521-W532 VanDerWaalsContact CB-CZ2 3.41Å; W532-V543 HydrophobicContact CB-CB 4.06Å; W532-V543 HydrophobicContact CB-CG2 3.77Å; W532-V543 PolarHBondContact O-N 2.82Å; W532-L556 HydrophobicContact CD2-CB 4.01Å; W532-L556 HydrophobicContact CD2-CD2 4.3Å; W532-L556 HydrophobicContact CE3-CB 4.45Å; W532-L556 HydrophobicContact CE3-CD2 4.39Å; W532-L556 HydrophobicContact CG-CB 4.42Å; W532-L556 HydrophobicContact CG-CD1 4.42Å; W532-L556 HydrophobicContact CG-CD2 4.42Å; W532-L556 HydrophobicContact CH2-CB 4.34Å; W532-L556 HydrophobicContact CZ2-CB 3.89Å; W532-C571 HydrophobicContact CD2-CB 4.39Å; W532-C571 HydrophobicContact CE3-CB 4.05Å; W532-C571 HydrophobicContact CH2-CB 3.83Å; W532-C571 HydrophobicContact CZ2-CB 4.16Å; W532-C571 HydrophobicContact CZ3-CB 3.76Å; W532-I585 HydrophobicContact CH2-CD1 3.81Å; W532-I585 HydrophobicContact CZ3-CD1 3.98Å
533	L	92.8	Very high	85.6	Confident	17 Å²	17	81.5 Å²	81.5	9%	0.089	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143.3	172.3	-53	165.6	0	0	0	108.6	E541 E542 Y569 I570	L533-E541 CarbonylContact C-O 3.46Å; L533-E541 VanDerWaalsContact CA-O 3.24Å; L533-E541 WeakPolarHBondContact CA-O 3.46Å; L533-E542 HydrophobicContact CD2-CB 4.44Å; L533-E542 HydrophobicContact CD2-CG 3.59Å; L533-Y569 CarbonylContact O-C 3.53Å; L533-Y569 WeakPolarHBondContact O-CA 3.41Å; L533-I570 HydrophobicContact CB-CB 4.18Å; L533-I570 PolarHBondContact N-O 3.12Å; L533-I570 PolarHBondContact O-N 3.32Å
534	V	92.2	Very high	85.9	Confident	14 Å²	14	88.6 Å²	88.6	9%	0.085	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.1	167	64.3	0	0	0	0	108.2	R536 E541 V543 Y569	V534-R536 HydrophobicContact CG2-CG 4.1Å; V534-E541 PolarHBondContact N-O 3.23Å; V534-E541 PolarHBondContact O-N 3.01Å; V534-V543 HydrophobicContact CB-CG2 4.06Å; V534-V543 HydrophobicContact CG1-CG2 4.43Å; V534-Y569 HydrophobicContact CB-CD1 4.2Å; V534-Y569 HydrophobicContact CB-CE1 4.04Å; V534-Y569 HydrophobicContact CG2-CD1 4.25Å; V534-Y569 HydrophobicContact CG2-CE1 3.88Å; V534-Y569 HydrophobicContact CG2-CE2 4.37Å
535	Q	88.7	Confident	86.6	Confident	41 Å²	41	84.7 Å²	84.7	19%	0.192	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.5	171.1	-177.9	173.2	0.6	0	0	108.1	D537 R539 K540 V568 I570	Q535-D537 WeakPolarHBondContact CG-O 3.17Å; Q535-D537 PolarHBondContact NE2-O 2.87Å; Q535-R539 WeakPolarHBondContact CA-O 3.34Å; Q535-K540 HydrophobicContact CB-CG 4.32Å; Q535-K540 HydrophobicContact CG-CG 4.35Å; Q535-V568 HydrophobicContact CB-CB 4.25Å; Q535-V568 PolarHBondContact N-O 2.96Å; Q535-V568 PolarHBondContact O-N 3.04Å; Q535-I570 HydrophobicContact CB-CD1 4.24Å
536	R	80.7	Confident	87.1	Confident	122 Å²	122	87.4 Å²	87.4	46%	0.46	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.4	170.3	-65.8	-177.4	176.8	176.3	-2.4	106.8	V534 D538 R539 Q564	V534-R536 HydrophobicContact CG2-CG 4.1Å; R536-D538 PolarHBondContact O-N 3.09Å; R536-R539 PolarHBondContact N-O 3.09Å; R536-R539 VanDerWaalsContact N-O 3.13Å; R536-R539 PolarHBondContact O-N 3.46Å; R536-R539 VanDerWaalsContact O-N 3.14Å; R536-Q564 PolarHBondContact NH2-O 3.4Å
537	D	75.9	Confident	87.5	Confident	155 Å²	155	88.1 Å²	88.1	83%	0.829	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	-124.9	-168.8	-48.4	-44.1	0	0	0	110.9	Q535	Q535-D537 WeakPolarHBondContact CG-O 3.17Å; Q535-D537 PolarHBondContact NE2-O 2.87Å
538	D	75.5	Confident	88.1	Confident	160 Å²	160	85.5 Å²	85.5	86%	0.856	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	4.1	178.8	-73.9	-28.7	0	0	0	114.5	R536	R536-D538 PolarHBondContact O-N 3.09Å
539	R	80.8	Confident	88.4	Confident	188 Å²	188	85 Å²	85	71%	0.709	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.9	179.8	-60.7	-172.5	-149.1	177.6	7.3	111.3	Q535 R536	Q535-R539 WeakPolarHBondContact CA-O 3.34Å; R536-R539 PolarHBondContact N-O 3.09Å; R536-R539 VanDerWaalsContact N-O 3.13Å; R536-R539 PolarHBondContact O-N 3.46Å; R536-R539 VanDerWaalsContact O-N 3.14Å
540	K	87.7	Confident	88.5	Confident	122 Å²	122	85.4 Å²	85.4	53%	0.53	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.9	171.5	-64	-179.2	-177.7	177.5	0	108.5	Q535 I570	Q535-K540 HydrophobicContact CB-CG 4.32Å; Q535-K540 HydrophobicContact CG-CG 4.35Å; K540-I570 HydrophobicContact CD-CD1 3.99Å; K540-I570 HydrophobicContact CG-CD1 4.37Å
541	E	90.7	Very high	88.4	Confident	98 Å²	98	86.3 Å²	86.3	46%	0.458	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150	177.6	-63.9	-174	-178.9	0	0	110.1	L533 V534	L533-E541 CarbonylContact C-O 3.46Å; L533-E541 VanDerWaalsContact CA-O 3.24Å; L533-E541 WeakPolarHBondContact CA-O 3.46Å; V534-E541 PolarHBondContact N-O 3.23Å; V534-E541 PolarHBondContact O-N 3.01Å
542	E	91.4	Very high	88.2	Confident	130 Å²	130	86.5 Å²	86.5	61%	0.607	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	137.4	171.9	-77.8	-177.1	179	0	0	110.8	L533 K544	L533-E542 HydrophobicContact CD2-CB 4.44Å; L533-E542 HydrophobicContact CD2-CG 3.59Å; E542-K544 PolarHBondContact O-N 3.43Å
543	V	92	Very high	87.7	Confident	24 Å²	24	93.7 Å²	93.7	15%	0.145	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-63.5	123	177.8	176.4	0	0	0	0	109.1	W532 V534 L545 V549 L556 Y569	W532-V543 HydrophobicContact CB-CB 4.06Å; W532-V543 HydrophobicContact CB-CG2 3.77Å; W532-V543 PolarHBondContact O-N 2.82Å; V534-V543 HydrophobicContact CB-CG2 4.06Å; V534-V543 HydrophobicContact CG1-CG2 4.43Å; V543-L545 HydrophobicContact CG1-CD2 4.43Å; V543-L545 PolarHBondContact O-N 3.2Å; V543-V549 HydrophobicContact CG1-CG1 4.06Å; V543-L556 HydrophobicContact CG1-CD1 4.31Å; V543-L556 HydrophobicContact CG1-CD2 4.03Å; V543-L556 HydrophobicContact CG2-CD2 4.37Å; V543-Y569 HydrophobicContact CG2-CD1 3.88Å; V543-Y569 HydrophobicContact CG2-CE1 4.01Å
544	K	90.3	Very high	87.4	Confident	172 Å²	172	98.8 Å²	98.8	75%	0.748	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-77.1	118.1	174.7	-63.6	-178.9	-175.8	174.6	0	109.3	E542	E542-K544 PolarHBondContact O-N 3.43Å
545	L	91.7	Very high	87.4	Confident	103 Å²	103	98.1 Å²	98.1	54%	0.539	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-83.6	140	175.6	-56.4	179.2	0	0	0	110.1	V543 V549 L556	V543-L545 HydrophobicContact CG1-CD2 4.43Å; V543-L545 PolarHBondContact O-N 3.2Å; L545-V549 WeakPolarHBondContact CA-O 3.42Å; L545-V549 HydrophobicContact CD2-CG1 4.41Å; L545-L556 HydrophobicContact CD2-CD1 3.88Å
546	D	89.6	Confident	87.6	Confident	84 Å²	84	96.2 Å²	96.2	45%	0.449	47%	0.473	S	S	.	.			trans	-149.5	-171.9	177.7	66.2	21.5	0	0	0	110.5	R548 V549	D546-R548 PolarHBondContact O-N 3.37Å; D546-R548 VanDerWaalsContact O-N 3.08Å; D546-R548 VanDerWaalsContact OD1-CA 3.29Å; D546-R548 WeakPolarHBondContact OD1-CA 3.23Å; D546-R548 VanDerWaalsContact OD1-CB 3.24Å; D546-R548 WeakPolarHBondContact OD1-CB 3.46Å; D546-R548 PolarHBondContact OD1-N 3.44Å; D546-V549 PolarHBondContact N-O 3.34Å; D546-V549 CarbonylContact O-C 3.54Å; D546-V549 PolarHBondContact O-N 3.43Å; D546-V549 PolarHBondContact OD1-N 3.48Å
547	D	88.3	Confident	88.2	Confident	143 Å²	143	93 Å²	93	77%	0.765	47%	0.465	S	S	*	.	S	Bend	trans	-62.2	-16.5	179.4	-74.4	-30.9	0	0	0	114	R559	D547-R559 WeakPolarHBondContact O-CD 3.5Å; D547-R559 PolarHBondContact O-NH1 2.03Å
548	R	92.3	Very high	89	Confident	42 Å²	42	85.7 Å²	85.7	16%	0.158	43%	0.426	C	S	.	.	S	Bend	trans	-102.6	-37.2	-177.8	179.4	-172.2	73.8	101.3	-3.6	111.9	D546 R559 H560 F562 D565	D546-R548 PolarHBondContact O-N 3.37Å; D546-R548 VanDerWaalsContact O-N 3.08Å; D546-R548 VanDerWaalsContact OD1-CA 3.29Å; D546-R548 WeakPolarHBondContact OD1-CA 3.23Å; D546-R548 VanDerWaalsContact OD1-CB 3.24Å; D546-R548 WeakPolarHBondContact OD1-CB 3.46Å; D546-R548 PolarHBondContact OD1-N 3.44Å; R548-R559 PolarHBondContact O-N 2.64Å; R548-H560 VanDerWaalsContact CD-O 3.24Å; R548-H560 WeakPolarHBondContact CD-O 3.3Å; R548-H560 HydrophobicContact CG-CB 4.13Å; R548-H560 VanDerWaalsContact CG-O 3.31Å; R548-H560 WeakPolarHBondContact CG-O 3.28Å; R548-H560 PolarHBondContact NH1-O 2.89Å; R548-F562 VanDerWaalsContact NH1-CD2 3.29Å; R548-D565 IonicContact CZ-OD1 3.61Å; R548-D565 IonicContact CZ-OD2 3.58Å; R548-D565 VanDerWaalsContact NH1-CG 3.28Å; R548-D565 IonicContact NH1-OD1 3.67Å; R548-D565 PolarHBondContact NH1-OD1 3Å; R548-D565 IonicContact NH1-OD2 3.74Å; R548-D565 PolarHBondContact NH1-OD2 2.85Å; R548-D565 IonicContact NH2-OD1 3.61Å; R548-D565 PolarHBondContact NH2-OD1 3.18Å; R548-D565 IonicContact NH2-OD2 3.67Å
549	V	91.8	Very high	89.7	Confident	5 Å²	5	83.7 Å²	83.7	3%	0.03	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	109.9	-179.2	-172.6	0	0	0	0	109.2	V543 L545 D546 L556 L557 F558	V543-V549 HydrophobicContact CG1-CG1 4.06Å; L545-V549 WeakPolarHBondContact CA-O 3.42Å; L545-V549 HydrophobicContact CD2-CG1 4.41Å; D546-V549 PolarHBondContact N-O 3.34Å; D546-V549 CarbonylContact O-C 3.54Å; D546-V549 PolarHBondContact O-N 3.43Å; D546-V549 PolarHBondContact OD1-N 3.48Å; V549-L556 HydrophobicContact CG1-CD1 3.94Å; V549-L556 HydrophobicContact CG1-CD2 4.38Å; V549-L556 HydrophobicContact CG1-CG 4.19Å; V549-L557 WeakPolarHBondContact CA-O 3.35Å; V549-F558 HydrophobicContact CB-CE1 4.48Å; V549-F558 HydrophobicContact CG1-CD1 4.31Å; V549-F558 HydrophobicContact CG1-CE1 3.97Å; V549-F558 HydrophobicContact CG1-CZ 4.11Å; V549-F558 HydrophobicContact CG2-CD1 3.65Å; V549-F558 HydrophobicContact CG2-CE1 3.67Å
550	M	91	Very high	90.1	Very high	72 Å²	72	79.7 Å²	79.7	36%	0.355	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.5	-173.7	-60.6	-174.8	75.7	0	0	111.7	L557 R559	M550-L557 PolarHBondContact N-O 3.43Å; M550-L557 PolarHBondContact O-N 3.44Å; M550-R559 PolarHBondContact SD-NE 3.3Å; M550-R559 PolarHBondContact SD-NH2 2.95Å
551	S	88.7	Confident	90.2	Very high	65 Å²	65	73.9 Å²	73.9	46%	0.455	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	131.7	166.3	-166.4	0	0	0	0	109.6
552	A	86.8	Confident	90.1	Very high	44 Å²	44	72.9 Å²	72.9	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	161.9	172.2	0	0	0	0	0	109.7	F518 Q554 G555	F518-A552 HydrophobicContact CE2-CB 4.26Å; A552-Q554 PolarHBondContact O-N 2.88Å; A552-G555 CarbonylContact C-O 3.5Å; A552-G555 WeakPolarHBondContact CA-O 3.46Å; A552-G555 PolarHBondContact N-O 3.08Å; A552-G555 PolarHBondContact O-N 2.96Å
553	D	82.8	Confident	90	Very high	166 Å²	166	73.2 Å²	73.2	89%	0.888	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.7	-178.5	-59.3	-20.2	0	0	0	113.3
554	Q	87.3	Confident	89.8	Confident	124 Å²	124	78.5 Å²	78.5	58%	0.579	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-2.1	-178.6	-65.1	-176.7	-20	0	0	114.2	F518 C521 V522 A552	F518-Q554 HydrophobicContact CE1-CB 4.35Å; F518-Q554 VanDerWaalsContact CZ-C 3.5Å; F518-Q554 HydrophobicContact CZ-CB 3.85Å; F518-Q554 WeakPolarHBondContact CZ-O 3.47Å; C521-Q554 CarbonylContact C-O 3.48Å; C521-Q554 PolarHBondContact N-O 3.33Å; C521-Q554 CarbonylContact O-C 3.6Å; V522-Q554 HydrophobicContact CG2-CB 4.15Å; V522-Q554 HydrophobicContact CG2-CG 4.39Å; A552-Q554 PolarHBondContact O-N 2.88Å
555	G	91.4	Very high	89.8	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.8	-158.9	-178.1	0	0	0	0	0	115.6	L519 A552	L519-G555 CarbonylContact O-C 3.49Å; L519-G555 VanDerWaalsContact O-CA 3.27Å; L519-G555 WeakPolarHBondContact O-CA 3.44Å; A552-G555 CarbonylContact C-O 3.5Å; A552-G555 WeakPolarHBondContact CA-O 3.46Å; A552-G555 PolarHBondContact N-O 3.08Å; A552-G555 PolarHBondContact O-N 2.96Å
556	L	93.5	Very high	89.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.7	-175.4	-170.1	70.3	0	0	0	111.1	F518 L519 W532 V543 L545 V549 F558 Y569	F518-L556 WeakPolarHBondContact CA-O 3.46Å; L519-L556 HydrophobicContact CB-CB 4.27Å; L519-L556 HydrophobicContact CD1-CD2 4.35Å; L519-L556 PolarHBondContact N-O 2.92Å; L519-L556 PolarHBondContact O-N 3.23Å; W532-L556 HydrophobicContact CD2-CB 4.01Å; W532-L556 HydrophobicContact CD2-CD2 4.3Å; W532-L556 HydrophobicContact CE3-CB 4.45Å; W532-L556 HydrophobicContact CE3-CD2 4.39Å; W532-L556 HydrophobicContact CG-CB 4.42Å; W532-L556 HydrophobicContact CG-CD1 4.42Å; W532-L556 HydrophobicContact CG-CD2 4.42Å; W532-L556 HydrophobicContact CH2-CB 4.34Å; W532-L556 HydrophobicContact CZ2-CB 3.89Å; V543-L556 HydrophobicContact CG1-CD1 4.31Å; V543-L556 HydrophobicContact CG1-CD2 4.03Å; V543-L556 HydrophobicContact CG2-CD2 4.37Å; L545-L556 HydrophobicContact CD2-CD1 3.88Å; V549-L556 HydrophobicContact CG1-CD1 3.94Å; V549-L556 HydrophobicContact CG1-CD2 4.38Å; V549-L556 HydrophobicContact CG1-CG 4.19Å; L556-F558 HydrophobicContact CD2-CE2 3.67Å; L556-F558 HydrophobicContact CD2-CZ 3.89Å; L556-F558 HydrophobicContact CG-CE2 4.03Å; L556-Y569 HydrophobicContact CD2-CD1 3.95Å; L556-Y569 HydrophobicContact CD2-CE1 4.17Å
557	L	93.2	Very high	89.7	Confident	55 Å²	55	67.1 Å²	67.1	29%	0.288	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.1	-179.3	179.7	64.7	0	0	0	111.6	F518 V549 M550 R559	F518-L557 HydrophobicContact CB-CD1 4.2Å; F518-L557 HydrophobicContact CD2-CB 3.93Å; F518-L557 HydrophobicContact CD2-CD1 4.08Å; F518-L557 HydrophobicContact CE2-CB 4.42Å; V549-L557 WeakPolarHBondContact CA-O 3.35Å; M550-L557 PolarHBondContact N-O 3.43Å; M550-L557 PolarHBondContact O-N 3.44Å; L557-R559 HydrophobicContact CD2-CG 4.43Å
558	F	93.2	Very high	89.9	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.3	163.3	-65.4	-99	0	0	0	108.3	S516 T517 L519 V549 L556 L561 D565 Y569 L587	S516-F558 CarbonylContact C-O 3.58Å; S516-F558 WeakPolarHBondContact CA-O 3.48Å; T517-F558 PolarHBondContact N-O 3.12Å; T517-F558 PolarHBondContact O-N 3.22Å; L519-F558 HydrophobicContact CD1-CE2 3.83Å; L519-F558 HydrophobicContact CG-CD2 4.45Å; L519-F558 HydrophobicContact CG-CE2 4.09Å; V549-F558 HydrophobicContact CB-CE1 4.48Å; V549-F558 HydrophobicContact CG1-CD1 4.31Å; V549-F558 HydrophobicContact CG1-CE1 3.97Å; V549-F558 HydrophobicContact CG1-CZ 4.11Å; V549-F558 HydrophobicContact CG2-CD1 3.65Å; V549-F558 HydrophobicContact CG2-CE1 3.67Å; L556-F558 HydrophobicContact CD2-CE2 3.67Å; L556-F558 HydrophobicContact CD2-CZ 3.89Å; L556-F558 HydrophobicContact CG-CE2 4.03Å; F558-L561 HydrophobicContact CB-CD1 3.96Å; F558-L561 HydrophobicContact CD1-CD1 3.82Å; F558-L561 HydrophobicContact CD2-CD1 4.43Å; F558-L561 HydrophobicContact CE1-CD1 4.46Å; F558-L561 HydrophobicContact CG-CD1 3.81Å; F558-D565 HydrophobicContact CD1-CB 4.43Å; F558-D565 HydrophobicContact CE1-CB 4.01Å; F558-Y569 HydrophobicContact CE2-CE1 4.44Å; F558-Y569 AromaticContact CZ-CE1 3.71Å; F558-Y569 HydrophobicContact CZ-CE1 3.71Å; F558-Y569 HydrophobicContact CZ-CE2 4.47Å; F558-Y569 AromaticContact CZ-CZ 3.66Å; F558-L587 HydrophobicContact CE2-CD2 4.29Å; F558-L587 HydrophobicContact CZ-CD2 4.42Å
559	R	89.9	Confident	89.9	Confident	118 Å²	118	60.4 Å²	60.4	45%	0.445	30%	0.3	S	S	.	.	S	Bend	trans	-70.7	-37.7	173.7	-68.9	-177.1	173.6	171.8	-9.6	112	S516 D547 R548 M550 L557	S516-R559 WeakPolarHBondContact CA-O 3.38Å; D547-R559 WeakPolarHBondContact O-CD 3.5Å; D547-R559 PolarHBondContact O-NH1 2.03Å; R548-R559 PolarHBondContact O-N 2.64Å; M550-R559 PolarHBondContact SD-NE 3.3Å; M550-R559 PolarHBondContact SD-NH2 2.95Å; L557-R559 HydrophobicContact CD2-CG 4.43Å
560	H	87.8	Confident	90	Very high	104 Å²	104	60.4 Å²	60.4	48%	0.481	30%	0.3	S	S	.	.	S	Bend	trans	-137.8	120.2	174.1	-63	-62.9	0	0	0	109.7	K514 R548	K514-H560 PolarHBondContact O-ND1 2.99Å; K514-H560 VanDerWaalsContact O-ND1 3.08Å; R548-H560 VanDerWaalsContact CD-O 3.24Å; R548-H560 WeakPolarHBondContact CD-O 3.3Å; R548-H560 HydrophobicContact CG-CB 4.13Å; R548-H560 VanDerWaalsContact CG-O 3.31Å; R548-H560 WeakPolarHBondContact CG-O 3.28Å; R548-H560 PolarHBondContact NH1-O 2.89Å
561	L	89.6	Confident	90	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.			trans	-89.7	137.9	-179.5	-159.9	70.5	0	0	0	112	G511 E513 K514 N515 F558 D565 L587 V589	G511-L561 VanDerWaalsContact CA-CD2 3.49Å; E513-L561 CarbonylContact C-O 3.54Å; E513-L561 WeakPolarHBondContact CA-O 3.49Å; K514-L561 PolarHBondContact N-O 3.07Å; N515-L561 PolarHBondContact O-N 2.93Å; F558-L561 HydrophobicContact CB-CD1 3.96Å; F558-L561 HydrophobicContact CD1-CD1 3.82Å; F558-L561 HydrophobicContact CD2-CD1 4.43Å; F558-L561 HydrophobicContact CE1-CD1 4.46Å; F558-L561 HydrophobicContact CG-CD1 3.81Å; L561-D565 HydrophobicContact CD1-CB 3.96Å; L561-L587 HydrophobicContact CD1-CD2 3.77Å; L561-L587 HydrophobicContact CD2-CD1 4.39Å; L561-V589 HydrophobicContact CD2-CB 4.36Å; L561-V589 HydrophobicContact CD2-CG1 3.96Å; L561-V589 HydrophobicContact CD2-CG2 3.82Å; L561-V589 HydrophobicContact CG-CG1 4.18Å; L561-V589 HydrophobicContact CG-CG2 4.02Å
562	F	90.4	Very high	90.1	Very high	77 Å²	77	57.9 Å²	57.9	34%	0.338	28%	0.277	S	S	.	.			trans	-125.3	157.6	175	-65.5	-62.2	0	0	0	110.3	R548 Q564 D565	R548-F562 VanDerWaalsContact NH1-CD2 3.29Å; F562-Q564 HydrophobicContact CB-CG 3.94Å; F562-Q564 PolarHBondContact O-N 3.23Å; F562-Q564 VanDerWaalsContact O-N 3.12Å; F562-D565 WeakPolarHBondContact CA-OD2 3.48Å; F562-D565 PolarHBondContact N-OD2 2.92Å; F562-D565 WeakPolarHBondContact O-CB 3.36Å; F562-D565 PolarHBondContact O-N 2.9Å
563	R	87.9	Confident	90.2	Very high	136 Å²	136	56 Å²	56	51%	0.513	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-54.2	-34.7	178	-105.8	-159.8	173.9	-179.7	1.3	114.2	D565 E566 V589	R563-D565 PolarHBondContact O-N 2.65Å; R563-D565 VanDerWaalsContact O-N 3.17Å; R563-E566 VanDerWaalsContact O-CB 3.25Å; R563-E566 WeakPolarHBondContact O-CB 3.16Å; R563-E566 PolarHBondContact O-N 3.03Å; R563-E566 VanDerWaalsContact O-N 3.13Å; R563-V589 HydrophobicContact CG-CG1 4.45Å
564	Q	88	Confident	90.4	Very high	135 Å²	135	54.9 Å²	54.9	63%	0.631	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-66.3	-12.4	178.2	66.2	-177.9	18.6	0	0	114.2	R536 F562 E566	R536-Q564 PolarHBondContact NH2-O 3.4Å; F562-Q564 HydrophobicContact CB-CG 3.94Å; F562-Q564 PolarHBondContact O-N 3.23Å; F562-Q564 VanDerWaalsContact O-N 3.12Å; Q564-E566 VanDerWaalsContact C-N 3.31Å
565	D	89.7	Confident	90.3	Very high	5 Å²	5	50 Å²	50	3%	0.027	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-86.3	-6.1	176.1	-51.8	-49.7	0	0	0	112.6	R548 F558 L561 F562 R563 G567 Y569	R548-D565 IonicContact CZ-OD1 3.61Å; R548-D565 IonicContact CZ-OD2 3.58Å; R548-D565 VanDerWaalsContact NH1-CG 3.28Å; R548-D565 IonicContact NH1-OD1 3.67Å; R548-D565 PolarHBondContact NH1-OD1 3Å; R548-D565 IonicContact NH1-OD2 3.74Å; R548-D565 PolarHBondContact NH1-OD2 2.85Å; R548-D565 IonicContact NH2-OD1 3.61Å; R548-D565 PolarHBondContact NH2-OD1 3.18Å; R548-D565 IonicContact NH2-OD2 3.67Å; F558-D565 HydrophobicContact CD1-CB 4.43Å; F558-D565 HydrophobicContact CE1-CB 4.01Å; L561-D565 HydrophobicContact CD1-CB 3.96Å; F562-D565 WeakPolarHBondContact CA-OD2 3.48Å; F562-D565 PolarHBondContact N-OD2 2.92Å; F562-D565 WeakPolarHBondContact O-CB 3.36Å; F562-D565 PolarHBondContact O-N 2.9Å; R563-D565 PolarHBondContact O-N 2.65Å; R563-D565 VanDerWaalsContact O-N 3.17Å; D565-G567 PolarHBondContact O-N 2.88Å; D565-Y569 VanDerWaalsContact O-CE2 3.25Å; D565-Y569 WeakPolarHBondContact O-CE2 3.32Å; D565-Y569 PolarHBondContact O-OH 2.75Å
566	E	90.4	Very high	89.4	Confident	98 Å²	98	54.2 Å²	54.2	46%	0.458	24%	0.241	S	C	.	.			trans	-57.4	135.2	172.3	-169.7	171	-175.3	0	0	110.3	R563 Q564 L587 V589	R563-E566 VanDerWaalsContact O-CB 3.25Å; R563-E566 WeakPolarHBondContact O-CB 3.16Å; R563-E566 PolarHBondContact O-N 3.03Å; R563-E566 VanDerWaalsContact O-N 3.13Å; Q564-E566 VanDerWaalsContact C-N 3.31Å; E566-L587 WeakPolarHBondContact CG-O 3.35Å; E566-V589 HydrophobicContact CB-CG2 3.98Å
567	G	90.5	Very high	88.5	Confident	17 Å²	17	58.9 Å²	58.9	18%	0.175	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.2	-178.2	-177.6	0	0	0	0	0	113.7	D565 L587	D565-G567 PolarHBondContact O-N 2.88Å; G567-L587 PolarHBondContact N-O 3.14Å; G567-L587 PolarHBondContact O-N 2.82Å
568	V	92	Very high	88	Confident	40 Å²	40	58.1 Å²	58.1	24%	0.242	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115.1	179.2	179.7	0	0	0	0	109.5	Q535 I570 I585	Q535-V568 HydrophobicContact CB-CB 4.25Å; Q535-V568 PolarHBondContact N-O 2.96Å; Q535-V568 PolarHBondContact O-N 3.04Å; V568-I570 HydrophobicContact CG1-CG1 4.39Å; V568-I585 CarbonylContact C-O 3.58Å; V568-I585 WeakPolarHBondContact CA-O 3.31Å
569	Y	92.9	Very high	87.5	Confident	5 Å²	5	60.6 Å²	60.6	2%	0.02	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.9	177.5	-67.9	-95	0	0	0	110	L519 L533 V534 V543 L556 F558 D565 R584 I585 L587	L519-Y569 HydrophobicContact CD1-CD1 4.17Å; L519-Y569 HydrophobicContact CD1-CD2 3.82Å; L519-Y569 HydrophobicContact CD1-CE2 4.45Å; L519-Y569 HydrophobicContact CD1-CG 3.67Å; L533-Y569 CarbonylContact O-C 3.53Å; L533-Y569 WeakPolarHBondContact O-CA 3.41Å; V534-Y569 HydrophobicContact CB-CD1 4.2Å; V534-Y569 HydrophobicContact CB-CE1 4.04Å; V534-Y569 HydrophobicContact CG2-CD1 4.25Å; V534-Y569 HydrophobicContact CG2-CE1 3.88Å; V534-Y569 HydrophobicContact CG2-CE2 4.37Å; V543-Y569 HydrophobicContact CG2-CD1 3.88Å; V543-Y569 HydrophobicContact CG2-CE1 4.01Å; L556-Y569 HydrophobicContact CD2-CD1 3.95Å; L556-Y569 HydrophobicContact CD2-CE1 4.17Å; F558-Y569 HydrophobicContact CE2-CE1 4.44Å; F558-Y569 AromaticContact CZ-CE1 3.71Å; F558-Y569 HydrophobicContact CZ-CE1 3.71Å; F558-Y569 HydrophobicContact CZ-CE2 4.47Å; F558-Y569 AromaticContact CZ-CZ 3.66Å; D565-Y569 VanDerWaalsContact O-CE2 3.25Å; D565-Y569 WeakPolarHBondContact O-CE2 3.32Å; D565-Y569 PolarHBondContact O-OH 2.75Å; Y569-R584 CarbonylContact O-C 3.59Å; Y569-R584 WeakPolarHBondContact O-CA 3.43Å; Y569-I585 PolarHBondContact N-O 3.36Å; Y569-I585 PolarHBondContact O-N 3.31Å; Y569-L587 HydrophobicContact CD2-CB 3.9Å; Y569-L587 HydrophobicContact CD2-CD2 4.39Å; Y569-L587 HydrophobicContact CE2-CB 3.82Å; Y569-L587 HydrophobicContact CE2-CD2 3.74Å; Y569-L587 HydrophobicContact CE2-CG 4.42Å
570	I	92.4	Very high	87.2	Confident	5 Å²	5	57 Å²	57	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.6	-175.9	-52.5	177.3	0	0	0	107.3	L533 Q535 K540 V568 T581 R584	L533-I570 HydrophobicContact CB-CB 4.18Å; L533-I570 PolarHBondContact N-O 3.12Å; L533-I570 PolarHBondContact O-N 3.32Å; Q535-I570 HydrophobicContact CB-CD1 4.24Å; K540-I570 HydrophobicContact CD-CD1 3.99Å; K540-I570 HydrophobicContact CG-CD1 4.37Å; V568-I570 HydrophobicContact CG1-CG1 4.39Å; I570-T581 HydrophobicContact CG2-CG2 3.39Å; I570-R584 HydrophobicContact CG1-CG 4.29Å; I570-R584 HydrophobicContact CG2-CG 4.42Å
571	C	91.8	Very high	87.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116	173.8	179.4	0	0	0	0	109.3	C521 V530 W532 T581 L582 A583	C521-C571 HydrophobicContact CB-CB 3.63Å; C521-C571 WeakPolarHBondContact CB-SG 3.29Å; C521-C571 WeakPolarHBondContact SG-CB 3.45Å; C521-C571 CovalentContact SG-SG 2.01Å; C521-C571 PolarHBondContact SG-SG 2.72Å; V530-C571 WeakPolarHBondContact CG1-SG 3.31Å; W532-C571 HydrophobicContact CD2-CB 4.39Å; W532-C571 HydrophobicContact CE3-CB 4.05Å; W532-C571 HydrophobicContact CH2-CB 3.83Å; W532-C571 HydrophobicContact CZ2-CB 4.16Å; W532-C571 HydrophobicContact CZ3-CB 3.76Å; C571-T581 CarbonylContact O-C 3.53Å; C571-T581 WeakPolarHBondContact O-CA 3.07Å; C571-T581 WeakPolarHBondContact O-CG2 3.3Å; C571-L582 PolarHBondContact O-N 2.84Å; C571-A583 HydrophobicContact CB-CB 4.26Å; C571-A583 PolarHBondContact N-O 3.33Å
572	R	89.9	Confident	86.9	Confident	84 Å²	84	54.9 Å²	54.9	32%	0.317	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.2	-178.4	-176.1	177.6	65.1	-176.9	-0.8	110.7	T531 Q580	T531-R572 PolarHBondContact N-O 3.09Å; T531-R572 PolarHBondContact O-N 3.24Å; T531-R572 PolarHBondContact OG1-NE 2.81Å; T531-R572 PolarHBondContact OG1-O 3.02Å; R572-Q580 CarbonylContact C-O 3.5Å; R572-Q580 WeakPolarHBondContact CA-O 3.36Å; R572-Q580 WeakPolarHBondContact CG-O 3.23Å
573	S	88.6	Confident	86.8	Confident	5 Å²	5	51.4 Å²	51.4	4%	0.035	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	150	174.5	62.5	0	0	0	0	111.7	S529 S579 Q580	S529-S573 CarbonylContact O-C 3.54Å; S529-S573 VanDerWaalsContact O-CA 3.26Å; S529-S573 WeakPolarHBondContact O-CA 3.47Å; S573-S579 WeakPolarHBondContact O-CA 3.4Å; S573-Q580 PolarHBondContact N-O 2.83Å; S573-Q580 PolarHBondContact O-N 3.11Å; S573-Q580 VanDerWaalsContact O-N 3.12Å; S573-Q580 WeakPolarHBondContact OG-CG 3.37Å; S573-Q580 PolarHBondContact OG-O 3.09Å
574	R	87.1	Confident	87	Confident	142 Å²	142	49.1 Å²	49.1	54%	0.536	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.6	174	-175.8	176.8	-173.3	-174.9	1.2	111.2	S529 F578 S579	S529-R574 PolarHBondContact N-O 3.04Å; S529-R574 PolarHBondContact O-N 3.13Å; S529-R574 PolarHBondContact OG-O 3.21Å; S529-R574 VanDerWaalsContact OG-O 3.05Å; R574-F578 VanDerWaalsContact CA-O 3.28Å; R574-F578 WeakPolarHBondContact CA-O 3.26Å; R574-S579 WeakPolarHBondContact CG-OG 3.48Å
575	E	85.3	Confident	87.1	Confident	20 Å²	20	42.9 Å²	42.9	9%	0.093	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	127.8	-178.1	-175.1	169.7	-159.2	0	0	109.4	L453 S525 A528 S577 F578	L453-E575 HydrophobicContact CD2-CB 4.45Å; L453-E575 HydrophobicContact CD2-CG 4.17Å; S525-E575 WeakPolarHBondContact CB-OE1 3.27Å; S525-E575 WeakPolarHBondContact CB-OE2 3.09Å; S525-E575 VanDerWaalsContact OG-CD 3.31Å; S525-E575 PolarHBondContact OG-OE1 2.96Å; S525-E575 PolarHBondContact OG-OE2 2.84Å; A528-E575 HydrophobicContact CB-CB 4.13Å; E575-S577 PolarHBondContact O-N 2.84Å; E575-F578 PolarHBondContact N-O 3.15Å; E575-F578 WeakPolarHBondContact O-CA 3.28Å; E575-F578 WeakPolarHBondContact O-CB 3.41Å; E575-F578 PolarHBondContact O-N 2.92Å
576	H	72.9	Confident	87.3	Confident	90 Å²	90	44.4 Å²	44.4	42%	0.417	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	42.3	179	-69.4	-83	0	0	0	115.6	F578	H576-F578 PolarHBondContact O-N 3.41Å
577	S	75.6	Confident	87.3	Confident	98 Å²	98	39.8 Å²	39.8	69%	0.685	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	-4.3	-177.8	-41.4	0	0	0	0	116.4	E575	E575-S577 PolarHBondContact O-N 2.84Å
578	F	81.7	Confident	87.4	Confident	39 Å²	39	42.2 Å²	42.2	17%	0.171	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	142.5	168.2	-175.5	-100.8	0	0	0	110.2	A449 L453 A487 V488 R574 E575 H576 Q580	A449-F578 HydrophobicContact CB-CD1 4.28Å; A449-F578 HydrophobicContact CB-CD2 4.26Å; A449-F578 HydrophobicContact CB-CE1 3.56Å; A449-F578 HydrophobicContact CB-CE2 3.58Å; A449-F578 HydrophobicContact CB-CZ 3.18Å; L453-F578 HydrophobicContact CD1-CB 4.42Å; L453-F578 HydrophobicContact CD1-CD1 3.66Å; L453-F578 HydrophobicContact CD1-CE1 4.28Å; L453-F578 HydrophobicContact CD1-CG 4.26Å; L453-F578 HydrophobicContact CD2-CB 4.4Å; A487-F578 HydrophobicContact CB-CB 4.31Å; A487-F578 HydrophobicContact CB-CD2 3.86Å; A487-F578 HydrophobicContact CB-CE2 4.4Å; A487-F578 HydrophobicContact CB-CG 4.04Å; V488-F578 HydrophobicContact CG2-CB 4.33Å; V488-F578 HydrophobicContact CG2-CD2 3.93Å; R574-F578 VanDerWaalsContact CA-O 3.28Å; R574-F578 WeakPolarHBondContact CA-O 3.26Å; E575-F578 PolarHBondContact N-O 3.15Å; E575-F578 WeakPolarHBondContact O-CA 3.28Å; E575-F578 WeakPolarHBondContact O-CB 3.41Å; E575-F578 PolarHBondContact O-N 2.92Å; H576-F578 PolarHBondContact O-N 3.41Å; F578-Q580 HydrophobicContact CD1-CG 4.48Å; F578-Q580 HydrophobicContact CE1-CB 3.67Å; F578-Q580 HydrophobicContact CE1-CG 3.85Å; F578-Q580 HydrophobicContact CZ-CB 4.15Å
579	S	84.1	Confident	87.2	Confident	54 Å²	54	40.8 Å²	40.8	38%	0.378	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.7	173.6	-66.2	0	0	0	0	110.6	S573 R574	S573-S579 WeakPolarHBondContact O-CA 3.4Å; R574-S579 WeakPolarHBondContact CG-OG 3.48Å
580	Q	82.4	Confident	86.9	Confident	44 Å²	44	43.2 Å²	43.2	21%	0.206	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.8	178.2	60.6	-178.8	-6.6	0	0	110.4	R572 S573 F578 L582	R572-Q580 CarbonylContact C-O 3.5Å; R572-Q580 WeakPolarHBondContact CA-O 3.36Å; R572-Q580 WeakPolarHBondContact CG-O 3.23Å; S573-Q580 PolarHBondContact N-O 2.83Å; S573-Q580 PolarHBondContact O-N 3.11Å; S573-Q580 VanDerWaalsContact O-N 3.12Å; S573-Q580 WeakPolarHBondContact OG-CG 3.37Å; S573-Q580 PolarHBondContact OG-O 3.09Å; F578-Q580 HydrophobicContact CD1-CG 4.48Å; F578-Q580 HydrophobicContact CE1-CB 3.67Å; F578-Q580 HydrophobicContact CE1-CG 3.85Å; F578-Q580 HydrophobicContact CZ-CB 4.15Å; Q580-L582 HydrophobicContact CG-CD2 4.27Å
581	T	86.5	Confident	86.3	Confident	22 Å²	22	46.5 Å²	46.5	14%	0.135	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.5	171.8	-46.1	0	0	0	0	109.1	D502 T504 I570 C571 R584	D502-T581 WeakPolarHBondContact OD1-CA 3.42Å; D502-T581 WeakPolarHBondContact OD1-CB 3.43Å; D502-T581 PolarHBondContact OD1-N 2.79Å; D502-T581 PolarHBondContact OD1-OG1 3.25Å; D502-T581 WeakPolarHBondContact OD2-CB 3.39Å; D502-T581 PolarHBondContact OD2-OG1 2.6Å; T504-T581 HydrophobicContact CG2-CG2 4.44Å; I570-T581 HydrophobicContact CG2-CG2 3.39Å; C571-T581 CarbonylContact O-C 3.53Å; C571-T581 WeakPolarHBondContact O-CA 3.07Å; C571-T581 WeakPolarHBondContact O-CG2 3.3Å; T581-R584 HydrophobicContact CG2-CG 4.18Å
582	L	84.9	Confident	85.3	Confident	37 Å²	37	47.4 Å²	47.4	19%	0.194	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-35.2	176.7	-62.9	-177.6	0	0	0	112.4	P523 C571 Q580	P523-L582 HydrophobicContact CB-CD1 3.89Å; C571-L582 PolarHBondContact O-N 2.84Å; Q580-L582 HydrophobicContact CG-CD2 4.27Å
583	A	88.2	Confident	84.3	Confident	4 Å²	4	49.1 Å²	49.1	3%	0.033	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	147	-177.5	0	0	0	0	0	111.4	C571 I585	C571-A583 HydrophobicContact CB-CB 4.26Å; C571-A583 PolarHBondContact N-O 3.33Å; A583-I585 HydrophobicContact CB-CD1 4.41Å; A583-I585 HydrophobicContact CB-CG1 4.19Å
584	R	91	Very high	83.3	Confident	88 Å²	88	51.7 Å²	51.7	33%	0.332	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.8	166	-72.4	174.5	78.3	169	1.7	107.9	T504 E505 D506 K507 Y569 I570 T581	T504-R584 HydrophobicContact CG2-CB 4.47Å; T504-R584 VanDerWaalsContact CG2-CD 3.45Å; T504-R584 HydrophobicContact CG2-CG 3.78Å; E505-R584 PolarHBondContact O-N 3.3Å; D506-R584 WeakPolarHBondContact CA-O 3.22Å; D506-R584 WeakPolarHBondContact OD1-CB 3.36Å; K507-R584 PolarHBondContact N-O 3.18Å; Y569-R584 CarbonylContact O-C 3.59Å; Y569-R584 WeakPolarHBondContact O-CA 3.43Å; I570-R584 HydrophobicContact CG1-CG 4.29Å; I570-R584 HydrophobicContact CG2-CG 4.42Å; T581-R584 HydrophobicContact CG2-CG 4.18Å
585	I	92	Very high	82.2	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	108.4	-170.7	-55.3	176	0	0	0	108.5	K507 V509 L519 W532 V568 Y569 A583 L587	K507-I585 CarbonylContact O-C 3.51Å; K507-I585 VanDerWaalsContact O-CA 3.31Å; K507-I585 WeakPolarHBondContact O-CA 3.34Å; V509-I585 HydrophobicContact CB-CG2 4.06Å; V509-I585 HydrophobicContact CG2-CG2 3.61Å; L519-I585 HydrophobicContact CB-CD1 3.94Å; L519-I585 HydrophobicContact CD1-CG2 4.4Å; L519-I585 HydrophobicContact CD2-CG2 4.07Å; W532-I585 HydrophobicContact CH2-CD1 3.81Å; W532-I585 HydrophobicContact CZ3-CD1 3.98Å; V568-I585 CarbonylContact C-O 3.58Å; V568-I585 WeakPolarHBondContact CA-O 3.31Å; Y569-I585 PolarHBondContact N-O 3.36Å; Y569-I585 PolarHBondContact O-N 3.31Å; A583-I585 HydrophobicContact CB-CD1 4.41Å; A583-I585 HydrophobicContact CB-CG1 4.19Å; I585-L587 PolarHBondContact O-N 2.9Å
586	S	92.3	Very high	81.2	Confident	38 Å²	38	47.9 Å²	47.9	27%	0.266	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	102.4	171.3	-176.5	0	0	0	0	108.9	K507 V508 V509	K507-S586 PolarHBondContact O-N 3.01Å; V508-S586 WeakPolarHBondContact CA-O 3.46Å; V509-S586 PolarHBondContact N-O 3.34Å
587	L	92.1	Very high	80.7	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.4	176	177.4	58.6	0	0	0	109.6	V509 T517 L519 F558 L561 E566 G567 Y569 I585 V589	V509-L587 HydrophobicContact CB-CD1 4.45Å; V509-L587 HydrophobicContact CG1-CD1 4.2Å; V509-L587 CarbonylContact O-C 3.56Å; V509-L587 WeakPolarHBondContact O-CA 3.08Å; T517-L587 HydrophobicContact CG2-CD1 4.09Å; L519-L587 HydrophobicContact CD2-CD1 4.22Å; F558-L587 HydrophobicContact CE2-CD2 4.29Å; F558-L587 HydrophobicContact CZ-CD2 4.42Å; L561-L587 HydrophobicContact CD1-CD2 3.77Å; L561-L587 HydrophobicContact CD2-CD1 4.39Å; E566-L587 WeakPolarHBondContact CG-O 3.35Å; G567-L587 PolarHBondContact N-O 3.14Å; G567-L587 PolarHBondContact O-N 2.82Å; Y569-L587 HydrophobicContact CD2-CB 3.9Å; Y569-L587 HydrophobicContact CD2-CD2 4.39Å; Y569-L587 HydrophobicContact CE2-CB 3.82Å; Y569-L587 HydrophobicContact CE2-CD2 3.74Å; Y569-L587 HydrophobicContact CE2-CG 4.42Å; I585-L587 PolarHBondContact O-N 2.9Å; L587-V589 HydrophobicContact CG-CG2 4.42Å
588	Q	90.6	Very high	80.1	Confident	69 Å²	69	49.3 Å²	49.3	32%	0.322	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.2	173.9	-65.4	-169.8	3.6	0	0	110.1	V508 V509 Y510 G511	V508-Q588 HydrophobicContact CG1-CG 4.24Å; V509-Q588 PolarHBondContact O-N 3.25Å; Y510-Q588 WeakPolarHBondContact CA-O 3.32Å; Y510-Q588 HydrophobicContact CD1-CB 3.82Å; Y510-Q588 HydrophobicContact CE1-CB 3.97Å; Y510-Q588 HydrophobicContact CE1-CG 4.42Å; G511-Q588 PolarHBondContact N-O 2.96Å
589	V	89.7	Confident	79.2	Confident	9 Å²	9	49.3 Å²	49.3	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.4	-175.5	-174.1	0	0	0	0	110.5	G511 L561 R563 E566 L587	G511-V589 CarbonylContact O-C 3.58Å; G511-V589 WeakPolarHBondContact O-CA 3.31Å; L561-V589 HydrophobicContact CD2-CB 4.36Å; L561-V589 HydrophobicContact CD2-CG1 3.96Å; L561-V589 HydrophobicContact CD2-CG2 3.82Å; L561-V589 HydrophobicContact CG-CG1 4.18Å; L561-V589 HydrophobicContact CG-CG2 4.02Å; R563-V589 HydrophobicContact CG-CG1 4.45Å; E566-V589 HydrophobicContact CB-CG2 3.98Å; L587-V589 HydrophobicContact CG-CG2 4.42Å
590	L	85.4	Confident	78	Confident	57 Å²	57	49.3 Å²	49.3	30%	0.298	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	137.7	176.3	-57.3	180	0	0	0	110.4	Y510 G511 E513 V595 L647	Y510-L590 HydrophobicContact CD1-CD1 4.38Å; Y510-L590 HydrophobicContact CD1-CD2 4.3Å; Y510-L590 HydrophobicContact CD1-CG 4.37Å; G511-L590 PolarHBondContact O-N 2.86Å; E513-L590 PolarHBondContact N-O 3.4Å; L590-V595 HydrophobicContact CB-CG2 3.64Å; L590-V595 HydrophobicContact CD1-CG2 3.89Å; L590-V595 HydrophobicContact CG-CG2 4.42Å; L590-L647 HydrophobicContact CD1-CD2 3.73Å
591	Q	80.9	Confident	76.9	Confident	74 Å²	74	54.4 Å²	54.4	35%	0.346	28%	0.281	S	S	.	.			trans	-66.2	136.7	172	-77.3	-180	-23.8	0	0	109.9	D593 T594 V595	Q591-D593 VanDerWaalsContact C-N 3.28Å; Q591-D593 PolarHBondContact O-N 3.36Å; Q591-T594 WeakPolarHBondContact CB-OG1 3.18Å; Q591-T594 PolarHBondContact O-N 3.15Å; Q591-V595 PolarHBondContact O-N 2.91Å
592	A	69.9	Low	75.3	Confident	19 Å²	19	58.5 Å²	58.5	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-54.8	-45.7	-179.3	0	0	0	0	0	111.8	T512 T594 V595 D596	T512-A592 HydrophobicContact CG2-CB 4.44Å; A592-T594 VanDerWaalsContact C-N 3.33Å; A592-T594 PolarHBondContact O-N 3.21Å; A592-V595 PolarHBondContact O-N 3.5Å; A592-D596 PolarHBondContact O-N 3.45Å
593	D	68.3	Low	73.7	Confident	119 Å²	119	59.7 Å²	59.7	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-63.5	-37	-177.9	-53.8	-27.8	0	0	0	112.4	Q591 D596 E597	Q591-D593 VanDerWaalsContact C-N 3.28Å; Q591-D593 PolarHBondContact O-N 3.36Å; D593-D596 PolarHBondContact O-N 3.32Å; D593-E597 WeakPolarHBondContact O-CB 3.47Å; D593-E597 WeakPolarHBondContact O-CG 3.46Å; D593-E597 PolarHBondContact O-N 3.12Å
594	T	68.6	Low	71.9	Confident	59 Å²	59	62.5 Å²	62.5	36%	0.362	33%	0.331	S	S	.	.	H	α-helix	trans	-69.9	-35.9	179	-41.5	0	0	0	0	111.8	Q591 A592 L598	Q591-T594 WeakPolarHBondContact CB-OG1 3.18Å; Q591-T594 PolarHBondContact O-N 3.15Å; A592-T594 VanDerWaalsContact C-N 3.33Å; A592-T594 PolarHBondContact O-N 3.21Å; T594-L598 HydrophobicContact CG2-CD1 4.24Å; T594-L598 WeakPolarHBondContact O-CB 3.02Å; T594-L598 WeakPolarHBondContact O-CD1 3.07Å; T594-L598 WeakPolarHBondContact O-CG 3.48Å; T594-L598 PolarHBondContact O-N 3.28Å
595	V	64.6	Low	69.8	Low	11 Å²	11	61.4 Å²	61.4	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-70	-43.6	176.4	176.9	0	0	0	0	110.1	T512 L590 Q591 A592 E597 L598 I599	T512-V595 HydrophobicContact CG2-CB 4.26Å; T512-V595 HydrophobicContact CG2-CG2 3.97Å; L590-V595 HydrophobicContact CB-CG2 3.64Å; L590-V595 HydrophobicContact CD1-CG2 3.89Å; L590-V595 HydrophobicContact CG-CG2 4.42Å; Q591-V595 PolarHBondContact O-N 2.91Å; A592-V595 PolarHBondContact O-N 3.5Å; V595-E597 VanDerWaalsContact C-N 3.35Å; V595-E597 PolarHBondContact O-N 3.05Å; V595-L598 PolarHBondContact O-N 3.34Å; V595-I599 HydrophobicContact CG1-CD1 3.65Å; V595-I599 HydrophobicContact CG1-CG1 4.34Å; V595-I599 WeakPolarHBondContact O-CB 3.44Å; V595-I599 WeakPolarHBondContact O-CG1 3.45Å; V595-I599 PolarHBondContact O-N 2.7Å
596	D	62.4	Low	67.7	Low	71 Å²	71	67.2 Å²	67.2	38%	0.38	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-39	176.4	-69.6	-26.6	0	0	0	111.7	A592 D593 A600 N652	A592-D596 PolarHBondContact O-N 3.45Å; D593-D596 PolarHBondContact O-N 3.32Å; D596-A600 WeakPolarHBondContact O-CB 3.5Å; D596-A600 PolarHBondContact O-N 3.5Å; D596-N652 PolarHBondContact OD1-ND2 2.88Å
597	E	63.3	Low	65.3	Low	113 Å²	113	70.5 Å²	70.5	53%	0.528	40%	0.4	S	S	.	.	H	α-helix	trans	-66.7	-41.2	173.8	-79.5	-175.8	179.3	0	0	113.4	D593 V595 A600 R601	D593-E597 WeakPolarHBondContact O-CB 3.47Å; D593-E597 WeakPolarHBondContact O-CG 3.46Å; D593-E597 PolarHBondContact O-N 3.12Å; V595-E597 VanDerWaalsContact C-N 3.35Å; V595-E597 PolarHBondContact O-N 3.05Å; E597-A600 PolarHBondContact O-N 3.35Å; E597-R601 WeakPolarHBondContact O-CB 3.46Å; E597-R601 WeakPolarHBondContact O-CG 3.35Å; E597-R601 PolarHBondContact O-N 2.75Å
598	L	63.8	Low	62.8	Low	106 Å²	106	77.1 Å²	77.1	56%	0.555	44%	0.435	S	S	*	.	H	α-helix	trans	-66.2	-42.6	176.8	-76.5	166.1	0	0	0	111.3	T594 V595 R601 D602	T594-L598 HydrophobicContact CG2-CD1 4.24Å; T594-L598 WeakPolarHBondContact O-CB 3.02Å; T594-L598 WeakPolarHBondContact O-CD1 3.07Å; T594-L598 WeakPolarHBondContact O-CG 3.48Å; T594-L598 PolarHBondContact O-N 3.28Å; V595-L598 PolarHBondContact O-N 3.34Å; L598-R601 PolarHBondContact O-N 3.08Å; L598-D602 PolarHBondContact O-N 3.47Å; L598-D602 VanDerWaalsContact O-N 3.09Å
599	I	61.4	Low	60.5	Low	38 Å²	38	77.2 Å²	77.2	20%	0.195	45%	0.454	C	S	.	.	H	α-helix	trans	-64.1	-44.5	174.8	-68.1	169	0	0	0	110.1	V595 R601 D602 I603 I648	V595-I599 HydrophobicContact CG1-CD1 3.65Å; V595-I599 HydrophobicContact CG1-CG1 4.34Å; V595-I599 WeakPolarHBondContact O-CB 3.44Å; V595-I599 WeakPolarHBondContact O-CG1 3.45Å; V595-I599 PolarHBondContact O-N 2.7Å; I599-R601 PolarHBondContact O-N 2.74Å; I599-D602 PolarHBondContact O-N 3.32Å; I599-I603 HydrophobicContact CG2-CD1 3.7Å; I599-I603 HydrophobicContact CG2-CG1 4.45Å; I599-I603 WeakPolarHBondContact O-CB 3.43Å; I599-I603 VanDerWaalsContact O-CG1 3.24Å; I599-I603 WeakPolarHBondContact O-CG1 3.46Å; I599-I603 PolarHBondContact O-N 2.82Å; I599-I648 HydrophobicContact CD1-CD1 4.32Å; I599-I648 HydrophobicContact CD1-CG1 4.24Å
600	A	59.4	Low	58.3	Low	55 Å²	55	85.6 Å²	85.6	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-64.4	-38.2	178.1	0	0	0	0	0	112.9	D596 E597 A604	D596-A600 WeakPolarHBondContact O-CB 3.5Å; D596-A600 PolarHBondContact O-N 3.5Å; E597-A600 PolarHBondContact O-N 3.35Å; A600-A604 VanDerWaalsContact O-CB 3.22Å; A600-A604 WeakPolarHBondContact O-CB 3.22Å; A600-A604 PolarHBondContact O-N 3.18Å
601	R	59	Low	55.8	Low	151 Å²	151	92.9 Å²	92.9	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-67.3	-39.1	176.6	-81.1	178.9	175.2	172.2	1.9	113	E597 L598 I599 A604 G605 I606	E597-R601 WeakPolarHBondContact O-CB 3.46Å; E597-R601 WeakPolarHBondContact O-CG 3.35Å; E597-R601 PolarHBondContact O-N 2.75Å; L598-R601 PolarHBondContact O-N 3.08Å; I599-R601 PolarHBondContact O-N 2.74Å; R601-A604 PolarHBondContact O-N 3.04Å; R601-G605 PolarHBondContact O-N 3.17Å; R601-I606 PolarHBondContact O-N 2.89Å
602	D	54.1	Low	53.7	Low	107 Å²	107	97.1 Å²	97.1	57%	0.572	55%	0.545	S	S	*	.	H	α-helix	trans	-69.7	-40.5	176.4	-160.5	44.7	0	0	0	111.3	L598 I599 A604 G605	L598-D602 PolarHBondContact O-N 3.47Å; L598-D602 VanDerWaalsContact O-N 3.09Å; I599-D602 PolarHBondContact O-N 3.32Å; D602-A604 VanDerWaalsContact C-N 3.31Å; D602-A604 PolarHBondContact O-N 3.33Å; D602-G605 PolarHBondContact O-N 3.38Å
603	I	51.7	Low	52.4	Low	63 Å²	63	107.4 Å²	107.4	32%	0.323	58%	0.58	S	S	.	*	H	α-helix	trans	-63	-37.3	173.1	-69	169.6	0	0	0	111.6	I599 G605	I599-I603 HydrophobicContact CG2-CD1 3.7Å; I599-I603 HydrophobicContact CG2-CG1 4.45Å; I599-I603 WeakPolarHBondContact O-CB 3.43Å; I599-I603 VanDerWaalsContact O-CG1 3.24Å; I599-I603 WeakPolarHBondContact O-CG1 3.46Å; I599-I603 PolarHBondContact O-N 2.82Å; I603-G605 VanDerWaalsContact C-N 3.32Å; I603-G605 PolarHBondContact O-N 2.98Å
604	A	49.3	Very low	50.5	Low	62 Å²	62	107.1 Å²	107.1	51%	0.512	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	-7.9	179.9	0	0	0	0	0	114.3	A600 R601 D602 I606	A600-A604 VanDerWaalsContact O-CB 3.22Å; A600-A604 WeakPolarHBondContact O-CB 3.22Å; A600-A604 PolarHBondContact O-N 3.18Å; R601-A604 PolarHBondContact O-N 3.04Å; D602-A604 VanDerWaalsContact C-N 3.31Å; D602-A604 PolarHBondContact O-N 3.33Å; A604-I606 VanDerWaalsContact C-N 3.27Å; A604-I606 HydrophobicContact CB-CD1 4.09Å; A604-I606 HydrophobicContact CB-CG1 4.12Å; A604-I606 PolarHBondContact O-N 3.41Å
605	G	47	Very low	49.1	Very low	66 Å²	66	111.1 Å²	111.1	68%	0.68	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.5	24.4	176.7	0	0	0	0	0	114.8	R601 D602 I603 S607	R601-G605 PolarHBondContact O-N 3.17Å; D602-G605 PolarHBondContact O-N 3.38Å; I603-G605 VanDerWaalsContact C-N 3.32Å; I603-G605 PolarHBondContact O-N 2.98Å; G605-S607 PolarHBondContact O-N 3.35Å
606	I	46.9	Very low	47.7	Very low	125 Å²	125	113.1 Å²	113.1	64%	0.641	64%	0.637	S	S	*	*			trans	-92.8	98	-176.9	-56.7	175	0	0	0	109	R601 A604	R601-I606 PolarHBondContact O-N 2.89Å; A604-I606 VanDerWaalsContact C-N 3.27Å; A604-I606 HydrophobicContact CB-CD1 4.09Å; A604-I606 HydrophobicContact CB-CG1 4.12Å; A604-I606 PolarHBondContact O-N 3.41Å
607	S	42.8	Very low	46.6	Very low	106 Å²	106	117.7 Å²	117.7	74%	0.741	66%	0.661	S	S	*	*			trans	-72.1	123.3	167.7	60.8	0	0	0	0	110	G605 G609	G605-S607 PolarHBondContact O-N 3.35Å; S607-G609 PolarHBondContact O-N 3.5Å
608	D	40.2	Very low	45.2	Very low	140 Å²	140	121.1 Å²	121.1	75%	0.749	68%	0.677	S	S	*	*			trans	-67.3	127.9	176.8	-156.1	1	0	0	0	110.7	F610	D608-F610 PolarHBondContact O-N 3.13Å; D608-F610 VanDerWaalsContact O-N 3.07Å
609	G	42.7	Very low	43.8	Very low	70 Å²	70	127 Å²	127	72%	0.722	69%	0.691	S	S	*	*	S	Bend	trans	-81.6	33.4	-173.9	0	0	0	0	0	114.1	S607	S607-G609 PolarHBondContact O-N 3.5Å
610	F	42.4	Very low	42.5	Very low	186 Å²	186	130.9 Å²	130.9	82%	0.816	72%	0.719	S	S	*	*			trans	-146	78	-178.5	-117.2	-88.9	0	0	0	112.8	D608	D608-F610 PolarHBondContact O-N 3.13Å; D608-F610 VanDerWaalsContact O-N 3.07Å
611	K	33.6	Very low	41.5	Very low	210 Å²	210	135.6 Å²	135.6	91%	0.913	73%	0.726	S	S	*	*			trans	-172.6	76.6	142.9	-104.4	170.8	-172.1	-178.9	0	109.9
612	D	37.1	Very low	40.5	Very low	163 Å²	163	136 Å²	136	87%	0.872	74%	0.736	S	S	*	*			trans	-85	104	159.5	-154.9	5.7	0	0	0	107.7
613	R	40.9	Very low	39.9	Very low	235 Å²	235	133.8 Å²	133.8	89%	0.887	73%	0.727	S	S	*	*			trans	164.3	78.6	152.4	-92	171.7	-179.5	-164.7	0.6	111.1
614	S	29	Very low	39.6	Very low	112 Å²	112	135 Å²	135	78%	0.783	74%	0.74	S	S	*	*	S	Bend	trans	-173.1	133.7	144.4	-79.1	0	0	0	0	108.7	G616	S614-G616 PolarHBondContact O-N 3.09Å; S614-G616 VanDerWaalsContact O-N 3.08Å
615	P	39.4	Very low	39.2	Very low	144 Å²	144	137.2 Å²	137.2	94%	0.935	75%	0.752	S	S	*	*			trans	-80.7	96.6	-171.6	31.6	-31	0	0	0	110.4
616	G	35.4	Very low	38.9	Very low	53 Å²	53	141.2 Å²	141.2	55%	0.546	76%	0.763	S	S	.	*			trans	-157.3	97.9	173.2	0	0	0	0	0	111.3	S614 H618	S614-G616 PolarHBondContact O-N 3.09Å; S614-G616 VanDerWaalsContact O-N 3.08Å; G616-H618 PolarHBondContact O-N 3.19Å; G616-H618 PolarHBondContact O-ND1 3.3Å
617	N	38.8	Very low	38.6	Very low	166 Å²	166	137.5 Å²	137.5	89%	0.888	76%	0.756	S	S	*	*			trans	-32.5	102.7	175.7	-91.4	-18.8	0	0	0	113.7
618	H	34.8	Very low	38.4	Very low	185 Å²	185	138.5 Å²	138.5	86%	0.856	76%	0.76	S	S	*	*			trans	-115.5	101.6	161.3	-79.2	55.4	0	0	0	107.7	G616	G616-H618 PolarHBondContact O-N 3.19Å; G616-H618 PolarHBondContact O-ND1 3.3Å
619	R	34.1	Very low	38.4	Very low	229 Å²	229	142.2 Å²	142.2	86%	0.864	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-80.9	145.3	167.9	-78.7	-173.6	176.8	-155.6	-0.6	109.1	W621	R619-W621 PolarHBondContact O-N 3.38Å
620	P	34.5	Very low	38.5	Very low	120 Å²	120	141.7 Å²	141.7	78%	0.779	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-58.8	133.9	167.7	-15.7	28.3	0	0	0	110	M622	P620-M622 PolarHBondContact O-N 2.9Å
621	W	36.8	Very low	38.4	Very low	155 Å²	155	144.5 Å²	144.5	59%	0.587	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-73.5	117.8	-175.1	-161.3	75.9	0	0	0	110.6	R619 P623 M663	R619-W621 PolarHBondContact O-N 3.38Å; W621-P623 HydrophobicContact CE3-CB 4.44Å; W621-P623 HydrophobicContact CE3-CG 4.23Å; W621-P623 HydrophobicContact CH2-CB 4.05Å; W621-P623 HydrophobicContact CZ3-CB 3.81Å; W621-P623 HydrophobicContact CZ3-CG 3.9Å; W621-M663 HydrophobicContact CH2-CG 4.44Å; W621-M663 HydrophobicContact CH2-SD 3.36Å; W621-M663 WeakPolarHBondContact CH2-SD 3.3Å; W621-M663 HydrophobicContact CZ2-SD 3.95Å; W621-M663 HydrophobicContact CZ3-SD 4.24Å
622	M	38.7	Very low	38.7	Very low	160 Å²	160	137.7 Å²	137.7	79%	0.788	75%	0.745	S	S	*	*			trans	-106	128.5	168	-74.4	-163.2	-166.5	0	0	109.6	P620 C624	P620-M622 PolarHBondContact O-N 2.9Å; M622-C624 PolarHBondContact O-N 2.85Å
623	P	42.3	Very low	38.9	Very low	60 Å²	60	135.7 Å²	135.7	39%	0.39	73%	0.731	S	S	.	*	S	Bend	trans	-76.4	-20.3	-160.6	-16.2	30.8	0	0	0	116.2	W621 C665	W621-P623 HydrophobicContact CE3-CB 4.44Å; W621-P623 HydrophobicContact CE3-CG 4.23Å; W621-P623 HydrophobicContact CH2-CB 4.05Å; W621-P623 HydrophobicContact CZ3-CB 3.81Å; W621-P623 HydrophobicContact CZ3-CG 3.9Å; P623-C665 PolarHBondContact O-SG 2.82Å; P623-C665 VanDerWaalsContact O-SG 3.39Å
624	C	45	Very low	39.1	Very low	87 Å²	87	129.4 Å²	129.4	59%	0.588	71%	0.713	S	S	*	*			trans	-133.7	91.6	-179.6	-46.6	0	0	0	0	110.4	M622 C665	M622-C624 PolarHBondContact O-N 2.85Å; C624-C665 WeakPolarHBondContact CB-SG 3.43Å; C624-C665 WeakPolarHBondContact SG-CB 3.39Å; C624-C665 CovalentContact SG-SG 2.11Å; C624-C665 PolarHBondContact SG-SG 2.89Å
625	S	41	Very low	39.5	Very low	109 Å²	109	126.3 Å²	126.3	76%	0.762	70%	0.7	S	S	*	*			trans	-92.3	113.2	163	-68.5	0	0	0	0	109.1	G627	S625-G627 PolarHBondContact O-N 2.91Å
626	T	39.6	Very low	39.6	Very low	150 Å²	150	126.5 Å²	126.5	92%	0.92	69%	0.688	S	S	*	*			trans	-74.2	90.3	176.5	48.5	0	0	0	0	110
627	G	41.3	Very low	40.1	Very low	48 Å²	48	125.6 Å²	125.6	50%	0.495	67%	0.674	S	S	.	*			trans	-145.8	146.5	173.3	0	0	0	0	0	112.4	S625 Y629	S625-G627 PolarHBondContact O-N 2.91Å; G627-Y629 PolarHBondContact O-N 2.94Å
628	P	38.3	Very low	40.5	Very low	127 Å²	127	126.6 Å²	126.6	83%	0.825	67%	0.665	S	S	*	*	S	Bend	trans	-77.2	9.4	-164.4	-11.2	28.3	0	0	0	116
629	Y	41.1	Very low	41.1	Very low	217 Å²	217	121.7 Å²	121.7	85%	0.851	65%	0.648	S	S	*	*			trans	-132.3	65.6	-170.1	-67.4	-80.3	0	0	0	113.2	G627	G627-Y629 PolarHBondContact O-N 2.94Å
630	S	43.5	Very low	42	Very low	60 Å²	60	115.1 Å²	115.1	42%	0.42	62%	0.623	S	S	.	*			trans	-137.1	53.1	173.2	-82	0	0	0	0	114.1	Q633	S630-Q633 PolarHBondContact OG-OE1 3.12Å
631	R	41.7	Very low	42.8	Very low	244 Å²	244	111.5 Å²	111.5	92%	0.921	60%	0.595	S	S	*	*	S	Bend	trans	-79.7	-19.1	167.6	-90.8	-176.2	-179.9	179.4	1.3	113.9
632	G	39.4	Very low	43.6	Very low	67 Å²	67	111.1 Å²	111.1	69%	0.691	60%	0.598	S	S	*	*	S	Bend	trans	-82	-27.1	179.5	0	0	0	0	0	115.3	I634	G632-I634 PolarHBondContact O-N 3.24Å
633	Q	42	Very low	44.4	Very low	122 Å²	122	107.7 Å²	107.7	57%	0.57	58%	0.583	S	S	*	*	H	α-helix	trans	-78.5	-16.1	-175.8	-78.9	-179.9	-40.1	0	0	114.4	S630 G635 S637	S630-Q633 PolarHBondContact OG-OE1 3.12Å; Q633-G635 VanDerWaalsContact C-N 3.34Å; Q633-S637 PolarHBondContact O-N 3.27Å
634	I	43.5	Very low	45.2	Very low	102 Å²	102	106.9 Å²	106.9	52%	0.523	58%	0.575	S	S	.	*	H	α-helix	trans	-76.4	-22.3	-178.4	-58.8	168.1	0	0	0	111.9	G632 S637 R638	G632-I634 PolarHBondContact O-N 3.24Å; I634-S637 WeakPolarHBondContact CA-OG 3.46Å; I634-S637 PolarHBondContact O-OG 2.87Å; I634-R638 WeakPolarHBondContact O-CG 3.43Å
635	G	38.3	Very low	45.8	Very low	48 Å²	48	106.1 Å²	106.1	50%	0.495	56%	0.563	S	S	.	*	H	α-helix	trans	-71.8	-46.2	176.7	0	0	0	0	0	112.6	Q633 S637 R638	Q633-G635 VanDerWaalsContact C-N 3.34Å; G635-S637 VanDerWaalsContact C-N 3.34Å; G635-R638 PolarHBondContact O-N 3.11Å
636	Q	40.9	Very low	46.5	Very low	147 Å²	147	106.2 Å²	106.2	69%	0.687	55%	0.552	S	S	*	*	H	α-helix	trans	-69	-30.9	177.1	-74.1	178.5	-15.3	0	0	112.7	R638 T639 W640	Q636-R638 VanDerWaalsContact C-N 3.31Å; Q636-R638 PolarHBondContact O-N 3.07Å; Q636-T639 PolarHBondContact O-OG1 2.73Å; Q636-W640 WeakPolarHBondContact O-CB 3.41Å; Q636-W640 PolarHBondContact O-N 2.87Å; Q636-W640 VanDerWaalsContact O-N 3.14Å
637	S	47.1	Very low	47.4	Very low	35 Å²	35	100.9 Å²	100.9	25%	0.245	52%	0.517	C	S	.	.	H	α-helix	trans	-69.2	-27.2	178.1	69.3	0	0	0	0	113.2	Q633 I634 G635 F641	Q633-S637 PolarHBondContact O-N 3.27Å; I634-S637 WeakPolarHBondContact CA-OG 3.46Å; I634-S637 PolarHBondContact O-OG 2.87Å; G635-S637 VanDerWaalsContact C-N 3.34Å; S637-F641 VanDerWaalsContact O-CB 3.25Å; S637-F641 WeakPolarHBondContact O-CB 3.4Å; S637-F641 PolarHBondContact O-N 2.84Å; S637-F641 VanDerWaalsContact O-N 3.17Å
638	R	46.7	Very low	48.1	Very low	187 Å²	187	99.8 Å²	99.8	71%	0.706	50%	0.5	S	S	*	.	H	α-helix	trans	-79.7	-32.1	177.2	-70.4	178	88.4	161.3	5.1	113.7	I634 G635 Q636 K642	I634-R638 WeakPolarHBondContact O-CG 3.43Å; G635-R638 PolarHBondContact O-N 3.11Å; Q636-R638 VanDerWaalsContact C-N 3.31Å; Q636-R638 PolarHBondContact O-N 3.07Å; R638-K642 WeakPolarHBondContact O-CG 3.19Å; R638-K642 PolarHBondContact O-N 2.94Å
639	T	47.3	Very low	48.9	Very low	82 Å²	82	94 Å²	94	50%	0.503	46%	0.463	S	S	.	.	H	α-helix	trans	-72.6	-49.6	174.3	47.6	0	0	0	0	110.1	Q636 F641 K642 D643	Q636-T639 PolarHBondContact O-OG1 2.73Å; T639-F641 VanDerWaalsContact C-N 3.29Å; T639-F641 PolarHBondContact O-N 3.22Å; T639-K642 WeakPolarHBondContact O-CB 3.25Å; T639-K642 PolarHBondContact O-N 2.98Å; T639-D643 PolarHBondContact O-N 3.2Å
640	W	52.2	Low	49.4	Very low	91 Å²	91	88.1 Å²	88.1	35%	0.345	45%	0.452	S	S	.	.	H	α-helix	trans	-55.6	-41.4	176	178	89.6	0	0	0	112.9	Q636 D643 I644 Y659 M663	Q636-W640 WeakPolarHBondContact O-CB 3.41Å; Q636-W640 PolarHBondContact O-N 2.87Å; Q636-W640 VanDerWaalsContact O-N 3.14Å; W640-D643 PolarHBondContact O-N 3.14Å; W640-I644 HydrophobicContact CD2-CD1 3.78Å; W640-I644 HydrophobicContact CE3-CD1 4.09Å; W640-I644 HydrophobicContact CH2-CD1 3.07Å; W640-I644 HydrophobicContact CH2-CG1 4.44Å; W640-I644 HydrophobicContact CZ2-CD1 2.91Å; W640-I644 HydrophobicContact CZ2-CG1 4.39Å; W640-I644 HydrophobicContact CZ3-CD1 3.74Å; W640-I644 PolarHBondContact O-N 2.89Å; W640-I644 VanDerWaalsContact O-N 3.1Å; W640-Y659 HydrophobicContact CE3-CE1 4.3Å; W640-Y659 AromaticContact CH2-CD1 3.65Å; W640-Y659 HydrophobicContact CH2-CD1 3.65Å; W640-Y659 HydrophobicContact CH2-CD2 4.35Å; W640-Y659 AromaticContact CH2-CE1 2.9Å; W640-Y659 HydrophobicContact CH2-CE1 2.9Å; W640-Y659 AromaticContact CH2-CE2 3.71Å; W640-Y659 HydrophobicContact CH2-CE2 3.71Å; W640-Y659 HydrophobicContact CH2-CG 4.33Å; W640-Y659 AromaticContact CH2-CZ 2.93Å; W640-Y659 WeakPolarHBondContact CH2-OH 3.49Å; W640-Y659 AromaticContact CZ2-CE1 3.95Å; W640-Y659 HydrophobicContact CZ2-CE1 3.95Å; W640-Y659 HydrophobicContact CZ2-CE2 4.33Å; W640-Y659 AromaticContact CZ2-CZ 3.59Å; W640-Y659 WeakPolarHBondContact CZ2-OH 3.41Å; W640-Y659 AromaticContact CZ3-CD1 3.67Å; W640-Y659 HydrophobicContact CZ3-CD1 3.67Å; W640-Y659 AromaticContact CZ3-CE1 3.09Å; W640-Y659 HydrophobicContact CZ3-CE1 3.09Å; W640-Y659 AromaticContact CZ3-CZ 3.68Å; W640-M663 HydrophobicContact CE3-CE 4.04Å; W640-M663 HydrophobicContact CZ3-CE 4.2Å
641	F	52.3	Low	49.7	Very low	43 Å²	43	89.4 Å²	89.4	19%	0.189	46%	0.461	C	S	.	.	H	α-helix	trans	-67	-37.4	176.9	-176.7	-96.8	0	0	0	112.7	S637 T639 M645 C660 W664	S637-F641 VanDerWaalsContact O-CB 3.25Å; S637-F641 WeakPolarHBondContact O-CB 3.4Å; S637-F641 PolarHBondContact O-N 2.84Å; S637-F641 VanDerWaalsContact O-N 3.17Å; T639-F641 VanDerWaalsContact C-N 3.29Å; T639-F641 PolarHBondContact O-N 3.22Å; F641-M645 HydrophobicContact CD1-CG 4.05Å; F641-M645 HydrophobicContact CE1-CG 3.67Å; F641-M645 HydrophobicContact CE1-SD 4.4Å; F641-M645 HydrophobicContact CE2-CG 4.37Å; F641-M645 HydrophobicContact CZ-CG 3.85Å; F641-M645 HydrophobicContact CZ-SD 4.04Å; F641-M645 WeakPolarHBondContact O-CB 3.01Å; F641-M645 WeakPolarHBondContact O-CG 3.06Å; F641-M645 PolarHBondContact O-N 3.23Å; F641-C660 VanDerWaalsContact CE2-SG 3.58Å; F641-C660 VanDerWaalsContact CZ-SG 3.53Å; F641-W664 HydrophobicContact CE1-CH2 4.24Å; F641-W664 HydrophobicContact CE2-CZ3 4.24Å; F641-W664 HydrophobicContact CZ-CH2 4.15Å; F641-W664 HydrophobicContact CZ-CZ3 4.16Å
642	K	52.8	Low	50.3	Low	147 Å²	147	79.7 Å²	79.7	64%	0.639	43%	0.427	S	S	*	.	H	α-helix	trans	-64.9	-42.6	174.6	-80.8	-177.2	171.2	-167.1	0	111.6	R638 T639 I644 M645 Q646	R638-K642 WeakPolarHBondContact O-CG 3.19Å; R638-K642 PolarHBondContact O-N 2.94Å; T639-K642 WeakPolarHBondContact O-CB 3.25Å; T639-K642 PolarHBondContact O-N 2.98Å; K642-I644 VanDerWaalsContact C-N 3.32Å; K642-I644 PolarHBondContact O-N 3.19Å; K642-M645 PolarHBondContact O-N 3.46Å; K642-Q646 PolarHBondContact O-N 2.96Å; K642-Q646 VanDerWaalsContact O-N 3.09Å
643	D	56.2	Low	51.1	Low	89 Å²	89	80.1 Å²	80.1	48%	0.476	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-39.1	-178.5	-57.5	-24.5	0	0	0	110.9	T639 W640 Q646 L647	T639-D643 PolarHBondContact O-N 3.2Å; W640-D643 PolarHBondContact O-N 3.14Å; D643-Q646 PolarHBondContact O-N 3.41Å; D643-L647 WeakPolarHBondContact O-CG 3.24Å; D643-L647 PolarHBondContact O-N 3.01Å
644	I	59.3	Low	51.7	Low	43 Å²	43	78.2 Å²	78.2	22%	0.221	41%	0.411	C	S	.	.	H	α-helix	trans	-73.5	-37.1	175.8	-78.5	168.1	0	0	0	112.9	W640 K642 Q646 L647 I648	W640-I644 HydrophobicContact CD2-CD1 3.78Å; W640-I644 HydrophobicContact CE3-CD1 4.09Å; W640-I644 HydrophobicContact CH2-CD1 3.07Å; W640-I644 HydrophobicContact CH2-CG1 4.44Å; W640-I644 HydrophobicContact CZ2-CD1 2.91Å; W640-I644 HydrophobicContact CZ2-CG1 4.39Å; W640-I644 HydrophobicContact CZ3-CD1 3.74Å; W640-I644 PolarHBondContact O-N 2.89Å; W640-I644 VanDerWaalsContact O-N 3.1Å; K642-I644 VanDerWaalsContact C-N 3.32Å; K642-I644 PolarHBondContact O-N 3.19Å; I644-Q646 PolarHBondContact O-N 3.11Å; I644-L647 WeakPolarHBondContact O-CB 3.33Å; I644-L647 PolarHBondContact O-N 3.31Å; I644-I648 HydrophobicContact CG2-CD1 3.39Å; I644-I648 HydrophobicContact CG2-CG1 4.12Å; I644-I648 WeakPolarHBondContact O-CG1 3.43Å; I644-I648 PolarHBondContact O-N 3.48Å
645	M	57.3	Low	52.1	Low	70 Å²	70	77.9 Å²	77.9	35%	0.345	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-27	174.1	-75.3	-60.3	-62.6	0	0	112.8	F641 K642 L647 V656	F641-M645 HydrophobicContact CD1-CG 4.05Å; F641-M645 HydrophobicContact CE1-CG 3.67Å; F641-M645 HydrophobicContact CE1-SD 4.4Å; F641-M645 HydrophobicContact CE2-CG 4.37Å; F641-M645 HydrophobicContact CZ-CG 3.85Å; F641-M645 HydrophobicContact CZ-SD 4.04Å; F641-M645 WeakPolarHBondContact O-CB 3.01Å; F641-M645 WeakPolarHBondContact O-CG 3.06Å; F641-M645 PolarHBondContact O-N 3.23Å; K642-M645 PolarHBondContact O-N 3.46Å; M645-L647 VanDerWaalsContact C-N 3.35Å; M645-V656 HydrophobicContact CE-CG1 3.98Å; M645-V656 HydrophobicContact SD-CB 4.16Å; M645-V656 HydrophobicContact SD-CG1 3.21Å; M645-V656 WeakPolarHBondContact SD-CG1 3.36Å; M645-V656 HydrophobicContact SD-CG2 3.83Å
646	Q	56.7	Low	52.9	Low	112 Å²	112	76.1 Å²	76.1	52%	0.523	39%	0.387	S	S	.	.	H	α-helix	trans	-73.8	-26.3	172.2	-75.4	-178.9	-13.9	0	0	113	K642 D643 I644	K642-Q646 PolarHBondContact O-N 2.96Å; K642-Q646 VanDerWaalsContact O-N 3.09Å; D643-Q646 PolarHBondContact O-N 3.41Å; I644-Q646 PolarHBondContact O-N 3.11Å
647	L	57.1	Low	53.5	Low	38 Å²	38	71.9 Å²	71.9	20%	0.199	37%	0.367	C	S	.	.	H	α-helix	trans	-84.8	-26.7	179.8	-70	172.6	0	0	0	113.2	T512 L590 D643 I644 M645	T512-L647 WeakPolarHBondContact CB-O 3.47Å; T512-L647 PolarHBondContact OG1-O 3.38Å; L590-L647 HydrophobicContact CD1-CD2 3.73Å; D643-L647 WeakPolarHBondContact O-CG 3.24Å; D643-L647 PolarHBondContact O-N 3.01Å; I644-L647 WeakPolarHBondContact O-CB 3.33Å; I644-L647 PolarHBondContact O-N 3.31Å; M645-L647 VanDerWaalsContact C-N 3.35Å
648	I	56.3	Low	54	Low	24 Å²	24	74 Å²	74	12%	0.123	37%	0.373	C	S	.	.			trans	-98.2	115.8	-174.4	-57.5	173.9	0	0	0	110.6	I599 I644 N652 V656	I599-I648 HydrophobicContact CD1-CD1 4.32Å; I599-I648 HydrophobicContact CD1-CG1 4.24Å; I644-I648 HydrophobicContact CG2-CD1 3.39Å; I644-I648 HydrophobicContact CG2-CG1 4.12Å; I644-I648 WeakPolarHBondContact O-CG1 3.43Å; I644-I648 PolarHBondContact O-N 3.48Å; I648-N652 HydrophobicContact CG2-CB 3.32Å; I648-V656 HydrophobicContact CB-CG2 3.99Å; I648-V656 HydrophobicContact CD1-CG2 3.67Å; I648-V656 HydrophobicContact CG1-CG2 4.44Å; I648-V656 HydrophobicContact CG2-CG2 3.64Å
649	G	54.3	Low	54.5	Low	6 Å²	6	67.6 Å²	67.6	6%	0.062	35%	0.349	C	S	.	.			trans	-78	173.7	177.1	0	0	0	0	0	114.5	N515 S651 N652	N515-G649 VanDerWaalsContact ND2-CA 3.34Å; N515-G649 WeakPolarHBondContact ND2-CA 3.47Å; N515-G649 PolarHBondContact ND2-N 2.95Å; N515-G649 WeakPolarHBondContact OD1-CA 3.45Å; G649-S651 PolarHBondContact O-N 3.1Å; G649-N652 PolarHBondContact O-N 2.9Å
650	P	52.5	Low	54.9	Low	93 Å²	93	64.6 Å²	64.6	60%	0.604	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.8	-176.8	16	-22.6	0	0	0	114.6	N652 L653	P650-N652 VanDerWaalsContact C-N 3.34Å; P650-L653 HydrophobicContact CB-CD1 4.2Å; P650-L653 WeakPolarHBondContact O-CD1 3.35Å
651	S	49.9	Very low	55.1	Low	87 Å²	87	64.3 Å²	64.3	61%	0.608	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.1	173.8	37.2	0	0	0	0	114	G649	G649-S651 PolarHBondContact O-N 3.1Å
652	N	54.1	Low	55.2	Low	40 Å²	40	67.4 Å²	67.4	21%	0.214	34%	0.344	C	S	.	.	S	Bend	trans	-110.7	12.1	-173.9	-74.9	-2.2	0	0	0	113	D596 I648 G649 P650 P654 H655	D596-N652 PolarHBondContact OD1-ND2 2.88Å; I648-N652 HydrophobicContact CG2-CB 3.32Å; G649-N652 PolarHBondContact O-N 2.9Å; P650-N652 VanDerWaalsContact C-N 3.34Å; N652-P654 VanDerWaalsContact C-N 3.3Å; N652-H655 PolarHBondContact O-N 3.28Å
653	L	56	Low	55.1	Low	77 Å²	77	62.3 Å²	62.3	40%	0.403	32%	0.324	S	S	.	.	H	α-helix	trans	-48.1	-36.4	172.3	-89.3	160.3	0	0	0	115.2	P650 H655 V656 E657	P650-L653 HydrophobicContact CB-CD1 4.2Å; P650-L653 WeakPolarHBondContact O-CD1 3.35Å; L653-H655 VanDerWaalsContact C-N 3.27Å; L653-H655 PolarHBondContact O-N 2.81Å; L653-V656 WeakPolarHBondContact O-CB 3.17Å; L653-V656 PolarHBondContact O-N 3.1Å; L653-E657 PolarHBondContact O-N 3.2Å
654	P	54	Low	55.1	Low	82 Å²	82	65 Å²	65	53%	0.532	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-30.4	177.2	-24.2	34.6	0	0	0	114.1	N652 E658	N652-P654 VanDerWaalsContact C-N 3.3Å; P654-E658 PolarHBondContact O-N 2.95Å
655	H	53.5	Low	55	Low	95 Å²	95	66.5 Å²	66.5	44%	0.44	34%	0.341	S	S	.	.	H	α-helix	trans	-78.9	-30.7	177.4	-73.5	23.6	0	0	0	112	N652 L653 E657 E658 Y659	N652-H655 PolarHBondContact O-N 3.28Å; L653-H655 VanDerWaalsContact C-N 3.27Å; L653-H655 PolarHBondContact O-N 2.81Å; H655-E657 VanDerWaalsContact C-N 3.31Å; H655-E657 PolarHBondContact O-N 3.35Å; H655-E658 PolarHBondContact O-N 3.19Å; H655-Y659 PolarHBondContact O-N 3.34Å
656	V	54.3	Low	54.9	Low	11 Å²	11	67 Å²	67	7%	0.067	35%	0.345	C	S	.	.	H	α-helix	trans	-60.8	-41.5	171.1	170.4	0	0	0	0	111.1	M645 I648 L653 Y659 C660	M645-V656 HydrophobicContact CE-CG1 3.98Å; M645-V656 HydrophobicContact SD-CB 4.16Å; M645-V656 HydrophobicContact SD-CG1 3.21Å; M645-V656 WeakPolarHBondContact SD-CG1 3.36Å; M645-V656 HydrophobicContact SD-CG2 3.83Å; I648-V656 HydrophobicContact CB-CG2 3.99Å; I648-V656 HydrophobicContact CD1-CG2 3.67Å; I648-V656 HydrophobicContact CG1-CG2 4.44Å; I648-V656 HydrophobicContact CG2-CG2 3.64Å; L653-V656 WeakPolarHBondContact O-CB 3.17Å; L653-V656 PolarHBondContact O-N 3.1Å; V656-Y659 WeakPolarHBondContact O-CB 3.38Å; V656-Y659 PolarHBondContact O-N 2.93Å; V656-C660 PolarHBondContact O-N 3.25Å; V656-C660 PolarHBondContact O-SG 2.9Å
657	E	54.6	Low	54.8	Low	58 Å²	58	66.1 Å²	66.1	27%	0.271	34%	0.344	S	S	.	.	H	α-helix	trans	-67.1	-38.8	-179.5	-72.6	177.3	173.1	0	0	112.4	L653 H655 Y659 C660 E661 L677	L653-E657 PolarHBondContact O-N 3.2Å; H655-E657 VanDerWaalsContact C-N 3.31Å; H655-E657 PolarHBondContact O-N 3.35Å; E657-Y659 VanDerWaalsContact C-N 3.26Å; E657-Y659 PolarHBondContact O-N 2.03Å; E657-C660 WeakPolarHBondContact O-CB 3.45Å; E657-C660 PolarHBondContact O-N 2.9Å; E657-E661 WeakPolarHBondContact O-CG 3.45Å; E657-E661 PolarHBondContact O-N 3.41Å; E657-L677 VanDerWaalsContact CD-CD1 3.43Å; E657-L677 WeakPolarHBondContact OE1-CD1 3.38Å; E657-L677 VanDerWaalsContact OE2-CD1 3.23Å; E657-L677 WeakPolarHBondContact OE2-CD1 3.04Å
658	E	56.6	Low	54.6	Low	78 Å²	78	72.8 Å²	72.8	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-62.1	-37	172.6	-165.6	-176.8	160.9	0	0	111.3	P654 H655 E661 R662	P654-E658 PolarHBondContact O-N 2.95Å; H655-E658 PolarHBondContact O-N 3.19Å; E658-E661 PolarHBondContact O-N 2.98Å; E658-R662 PolarHBondContact O-N 3.32Å; E658-R662 VanDerWaalsContact O-N 3.12Å; E658-R662 IonicContact OE1-CZ 3.31Å; E658-R662 IonicContact OE1-NE 2.63Å; E658-R662 IonicContact OE1-NH2 3.47Å; E658-R662 PolarHBondContact OE1-NH2 2.88Å
659	Y	56.3	Low	54.4	Low	53 Å²	53	76 Å²	76	21%	0.208	39%	0.388	C	S	.	.	H	α-helix	trans	-69.6	-41.7	176.4	-144.2	-75.3	0	0	0	112.6	W640 H655 V656 E657 E661 R662 M663	W640-Y659 HydrophobicContact CE3-CE1 4.3Å; W640-Y659 AromaticContact CH2-CD1 3.65Å; W640-Y659 HydrophobicContact CH2-CD1 3.65Å; W640-Y659 HydrophobicContact CH2-CD2 4.35Å; W640-Y659 AromaticContact CH2-CE1 2.9Å; W640-Y659 HydrophobicContact CH2-CE1 2.9Å; W640-Y659 AromaticContact CH2-CE2 3.71Å; W640-Y659 HydrophobicContact CH2-CE2 3.71Å; W640-Y659 HydrophobicContact CH2-CG 4.33Å; W640-Y659 AromaticContact CH2-CZ 2.93Å; W640-Y659 WeakPolarHBondContact CH2-OH 3.49Å; W640-Y659 AromaticContact CZ2-CE1 3.95Å; W640-Y659 HydrophobicContact CZ2-CE1 3.95Å; W640-Y659 HydrophobicContact CZ2-CE2 4.33Å; W640-Y659 AromaticContact CZ2-CZ 3.59Å; W640-Y659 WeakPolarHBondContact CZ2-OH 3.41Å; W640-Y659 AromaticContact CZ3-CD1 3.67Å; W640-Y659 HydrophobicContact CZ3-CD1 3.67Å; W640-Y659 AromaticContact CZ3-CE1 3.09Å; W640-Y659 HydrophobicContact CZ3-CE1 3.09Å; W640-Y659 AromaticContact CZ3-CZ 3.68Å; H655-Y659 PolarHBondContact O-N 3.34Å; V656-Y659 WeakPolarHBondContact O-CB 3.38Å; V656-Y659 PolarHBondContact O-N 2.93Å; E657-Y659 VanDerWaalsContact C-N 3.26Å; E657-Y659 PolarHBondContact O-N 2.03Å; Y659-E661 VanDerWaalsContact C-N 3.33Å; Y659-E661 PolarHBondContact O-N 3.34Å; Y659-R662 PolarHBondContact O-N 2.95Å; Y659-M663 HydrophobicContact CD1-CG 3.69Å; Y659-M663 HydrophobicContact CE1-CG 3.63Å; Y659-M663 HydrophobicContact CE1-SD 4.13Å; Y659-M663 WeakPolarHBondContact O-CB 3.27Å; Y659-M663 WeakPolarHBondContact O-CG 3.05Å; Y659-M663 PolarHBondContact O-N 2.77Å
660	C	57	Low	54.5	Low	19 Å²	19	82 Å²	82	13%	0.128	41%	0.409	C	S	.	.	H	α-helix	trans	-58.3	-44.2	171.8	-71	0	0	0	0	111.4	F641 V656 E657 R662 M663 W664	F641-C660 VanDerWaalsContact CE2-SG 3.58Å; F641-C660 VanDerWaalsContact CZ-SG 3.53Å; V656-C660 PolarHBondContact O-N 3.25Å; V656-C660 PolarHBondContact O-SG 2.9Å; E657-C660 WeakPolarHBondContact O-CB 3.45Å; E657-C660 PolarHBondContact O-N 2.9Å; C660-R662 VanDerWaalsContact C-N 3.32Å; C660-R662 PolarHBondContact O-N 3.27Å; C660-M663 PolarHBondContact O-N 3.19Å; C660-W664 HydrophobicContact CB-CE3 3.87Å; C660-W664 HydrophobicContact CB-CZ3 3.77Å; C660-W664 PolarHBondContact O-N 2.85Å; C660-W664 VanDerWaalsContact SG-CZ3 3.58Å
661	E	56.5	Low	54.7	Low	85 Å²	85	86.4 Å²	86.4	40%	0.397	41%	0.414	S	S	.	.	H	α-helix	trans	-63.6	-36	177.7	-73.8	-161.7	168.5	0	0	112.9	E657 E658 Y659	E657-E661 WeakPolarHBondContact O-CG 3.45Å; E657-E661 PolarHBondContact O-N 3.41Å; E658-E661 PolarHBondContact O-N 2.98Å; Y659-E661 VanDerWaalsContact C-N 3.33Å; Y659-E661 PolarHBondContact O-N 3.34Å
662	R	53.9	Low	54.9	Low	108 Å²	108	90.1 Å²	90.1	41%	0.408	42%	0.419	S	S	.	.	H	α-helix	trans	-71.6	-34.5	174.9	-73.5	-177.7	-170.9	-170.3	6.2	113.3	E658 Y659 C660	E658-R662 PolarHBondContact O-N 3.32Å; E658-R662 VanDerWaalsContact O-N 3.12Å; E658-R662 IonicContact OE1-CZ 3.31Å; E658-R662 IonicContact OE1-NE 2.63Å; E658-R662 IonicContact OE1-NH2 3.47Å; E658-R662 PolarHBondContact OE1-NH2 2.88Å; Y659-R662 PolarHBondContact O-N 2.95Å; C660-R662 VanDerWaalsContact C-N 3.32Å; C660-R662 PolarHBondContact O-N 3.27Å
663	M	49.8	Very low	54.8	Low	41 Å²	41	91.2 Å²	91.2	20%	0.202	42%	0.422	C	S	.	.	H	α-helix	trans	-80.5	-32.9	-173.9	-80	-80.6	-87	0	0	115.1	W621 W640 Y659 C660	W621-M663 HydrophobicContact CH2-CG 4.44Å; W621-M663 HydrophobicContact CH2-SD 3.36Å; W621-M663 WeakPolarHBondContact CH2-SD 3.3Å; W621-M663 HydrophobicContact CZ2-SD 3.95Å; W621-M663 HydrophobicContact CZ3-SD 4.24Å; W640-M663 HydrophobicContact CE3-CE 4.04Å; W640-M663 HydrophobicContact CZ3-CE 4.2Å; Y659-M663 HydrophobicContact CD1-CG 3.69Å; Y659-M663 HydrophobicContact CE1-CG 3.63Å; Y659-M663 HydrophobicContact CE1-SD 4.13Å; Y659-M663 WeakPolarHBondContact O-CB 3.27Å; Y659-M663 WeakPolarHBondContact O-CG 3.05Å; Y659-M663 PolarHBondContact O-N 2.77Å; C660-M663 PolarHBondContact O-N 3.19Å
664	W	57.7	Low	54.8	Low	144 Å²	144	94 Å²	94	55%	0.545	43%	0.431	S	S	.	.			trans	-87.3	-4.1	-165.6	-99.9	-72.7	0	0	0	116.1	F641 C660 N666	F641-W664 HydrophobicContact CE1-CH2 4.24Å; F641-W664 HydrophobicContact CE2-CZ3 4.24Å; F641-W664 HydrophobicContact CZ-CH2 4.15Å; F641-W664 HydrophobicContact CZ-CZ3 4.16Å; C660-W664 HydrophobicContact CB-CE3 3.87Å; C660-W664 HydrophobicContact CB-CZ3 3.77Å; C660-W664 PolarHBondContact O-N 2.85Å; C660-W664 VanDerWaalsContact SG-CZ3 3.58Å; W664-N666 WeakPolarHBondContact O-CB 3.45Å; W664-N666 PolarHBondContact O-N 3.2Å
665	C	57.3	Low	55	Low	76 Å²	76	93.1 Å²	93.1	51%	0.514	43%	0.427	S	S	.	.			trans	23.8	41.6	179.1	-56.3	0	0	0	0	115.2	P623 C624	P623-C665 PolarHBondContact O-SG 2.82Å; P623-C665 VanDerWaalsContact O-SG 3.39Å; C624-C665 WeakPolarHBondContact CB-SG 3.43Å; C624-C665 WeakPolarHBondContact SG-CB 3.39Å; C624-C665 CovalentContact SG-SG 2.11Å; C624-C665 PolarHBondContact SG-SG 2.89Å
666	N	54.5	Low	55.1	Low	80 Å²	80	93.9 Å²	93.9	43%	0.428	43%	0.432	S	S	.	.			trans	-143.3	106.5	-177.8	-169.8	-17.9	0	0	0	111.5	W664 K668 L669 R670	W664-N666 WeakPolarHBondContact O-CB 3.45Å; W664-N666 PolarHBondContact O-N 3.2Å; N666-K668 VanDerWaalsContact C-N 3.25Å; N666-K668 PolarHBondContact O-N 3.03Å; N666-K668 VanDerWaalsContact O-N 3.16Å; N666-K668 PolarHBondContact OD1-N 3.22Å; N666-L669 HydrophobicContact CB-CD1 4.38Å; N666-L669 PolarHBondContact O-N 2.04Å; N666-L669 VanDerWaalsContact O-N 3.16Å; N666-R670 PolarHBondContact O-N 3.1Å; N666-R670 VanDerWaalsContact O-N 3.16Å
667	D	53.5	Low	55.1	Low	94 Å²	94	96.1 Å²	96.1	50%	0.503	44%	0.443	S	S	.	.	H	α-helix	trans	-60.8	-26.4	-173	-85.7	-27.8	0	0	0	114.8	R670 R671	D667-R670 IonicContact OD1-NH1 2.73Å; D667-R671 WeakPolarHBondContact O-CG 3.35Å; D667-R671 PolarHBondContact O-N 2.67Å
668	K	53.6	Low	55.3	Low	177 Å²	177	99.3 Å²	99.3	77%	0.77	46%	0.458	S	S	*	.	H	α-helix	trans	-71.4	-39.3	177.7	-83.9	-176	176.3	178.3	0	112.2	N666 K672	N666-K668 VanDerWaalsContact C-N 3.25Å; N666-K668 PolarHBondContact O-N 3.03Å; N666-K668 VanDerWaalsContact O-N 3.16Å; N666-K668 PolarHBondContact OD1-N 3.22Å; K668-K672 PolarHBondContact O-N 2.91Å
669	L	53.4	Low	55.5	Low	92 Å²	92	102.3 Å²	102.3	48%	0.482	47%	0.47	S	S	.	.	H	α-helix	trans	-72.7	-39	177.1	-80.7	160.6	0	0	0	110.8	N666 R671 K672 H673	N666-L669 HydrophobicContact CB-CD1 4.38Å; N666-L669 PolarHBondContact O-N 2.04Å; N666-L669 VanDerWaalsContact O-N 3.16Å; L669-R671 PolarHBondContact O-N 3.01Å; L669-K672 PolarHBondContact O-N 3.4Å; L669-H673 WeakPolarHBondContact O-CB 3.43Å; L669-H673 PolarHBondContact O-N 3.39Å
670	R	54.3	Low	55.2	Low	132 Å²	132	106.2 Å²	106.2	50%	0.498	49%	0.485	S	S	.	.	H	α-helix	trans	-58.8	-43.1	176.4	-164.4	174.7	161.6	-156	0.5	113	N666 D667 H673 K674	N666-R670 PolarHBondContact O-N 3.1Å; N666-R670 VanDerWaalsContact O-N 3.16Å; D667-R670 IonicContact OD1-NH1 2.73Å; R670-H673 PolarHBondContact O-N 3.29Å; R670-K674 WeakPolarHBondContact O-CB 3.01Å; R670-K674 PolarHBondContact O-N 3.15Å
671	R	57.4	Low	55.5	Low	186 Å²	186	113.5 Å²	113.5	70%	0.702	51%	0.51	S	S	*	.	H	α-helix	trans	-66.9	-39.2	174.9	-69	177.9	-155.6	-174.4	5	113.1	D667 L669 H673 S675	D667-R671 WeakPolarHBondContact O-CG 3.35Å; D667-R671 PolarHBondContact O-N 2.67Å; L669-R671 PolarHBondContact O-N 3.01Å; R671-H673 VanDerWaalsContact C-N 3.35Å; R671-S675 PolarHBondContact O-N 3.44Å
672	K	54.3	Low	56	Low	165 Å²	165	115.1 Å²	115.1	72%	0.717	52%	0.517	S	S	*	.	H	α-helix	trans	-68.7	-36.6	178.7	-149.7	-179.6	-175	-174.2	0	111.3	K668 L669 M676	K668-K672 PolarHBondContact O-N 2.91Å; L669-K672 PolarHBondContact O-N 3.4Å; K672-M676 PolarHBondContact O-N 3Å
673	H	52.8	Low	56.2	Low	63 Å²	63	112.6 Å²	112.6	29%	0.292	52%	0.52	S	S	.	.	H	α-helix	trans	-66.8	-47.3	175.1	-166	-104.5	0	0	0	111.8	L669 R670 R671 S675 M676 L677	L669-H673 WeakPolarHBondContact O-CB 3.43Å; L669-H673 PolarHBondContact O-N 3.39Å; R670-H673 PolarHBondContact O-N 3.29Å; R671-H673 VanDerWaalsContact C-N 3.35Å; H673-S675 VanDerWaalsContact C-N 3.3Å; H673-S675 PolarHBondContact O-N 3.21Å; H673-M676 WeakPolarHBondContact O-CB 3.32Å; H673-M676 PolarHBondContact O-N 3.44Å; H673-L677 PolarHBondContact O-N 3.19Å
674	K	55	Low	56.7	Low	136 Å²	136	115.1 Å²	115.1	59%	0.591	53%	0.531	S	S	*	.	H	α-helix	trans	-56.8	-41.3	176.2	-164.3	174.4	-175.8	177	0	112.9	R670 M676 L677 E678	R670-K674 WeakPolarHBondContact O-CB 3.01Å; R670-K674 PolarHBondContact O-N 3.15Å; K674-M676 VanDerWaalsContact C-N 3.35Å; K674-M676 PolarHBondContact O-N 3.25Å; K674-L677 PolarHBondContact O-N 3.3Å; K674-E678 PolarHBondContact O-N 3.09Å; K674-E678 VanDerWaalsContact O-N 3.16Å
675	S	58.8	Low	57	Low	62 Å²	62	112.4 Å²	112.4	43%	0.434	53%	0.525	S	S	.	.	H	α-helix	trans	-66.1	-33.4	175.7	177.4	0	0	0	0	113.6	R671 H673 K679	R671-S675 PolarHBondContact O-N 3.44Å; H673-S675 VanDerWaalsContact C-N 3.3Å; H673-S675 PolarHBondContact O-N 3.21Å; S675-K679 PolarHBondContact O-N 2.87Å
676	M	56.3	Low	57.4	Low	112 Å²	112	112.4 Å²	112.4	55%	0.552	53%	0.525	S	S	*	.	H	α-helix	trans	-73.8	-37.4	177.4	-160.7	-88.2	-75	0	0	111	K672 H673 K674 E678 K679 Y680	K672-M676 PolarHBondContact O-N 3Å; H673-M676 WeakPolarHBondContact O-CB 3.32Å; H673-M676 PolarHBondContact O-N 3.44Å; K674-M676 VanDerWaalsContact C-N 3.35Å; K674-M676 PolarHBondContact O-N 3.25Å; M676-E678 PolarHBondContact O-N 3.27Å; M676-K679 WeakPolarHBondContact O-CB 3.35Å; M676-K679 PolarHBondContact O-N 3.05Å; M676-Y680 PolarHBondContact O-N 2.83Å
677	L	52.7	Low	57.4	Low	57 Å²	57	111.4 Å²	111.4	30%	0.298	53%	0.529	S	S	.	.	H	α-helix	trans	-62.6	-41.1	176.4	-159.9	73	0	0	0	112.7	E657 H673 K674 K679 Y680 R681	E657-L677 VanDerWaalsContact CD-CD1 3.43Å; E657-L677 WeakPolarHBondContact OE1-CD1 3.38Å; E657-L677 VanDerWaalsContact OE2-CD1 3.23Å; E657-L677 WeakPolarHBondContact OE2-CD1 3.04Å; H673-L677 PolarHBondContact O-N 3.19Å; K674-L677 PolarHBondContact O-N 3.3Å; L677-K679 VanDerWaalsContact C-N 3.28Å; L677-K679 PolarHBondContact O-N 3.1Å; L677-Y680 PolarHBondContact O-N 3.26Å; L677-R681 WeakPolarHBondContact O-CB 3.48Å; L677-R681 PolarHBondContact O-N 2.75Å
678	E	60.3	Low	57.9	Low	125 Å²	125	116 Å²	116	58%	0.584	54%	0.539	S	S	*	.	H	α-helix	trans	-64.7	-35.6	178.2	-147.7	143.1	-158.3	0	0	111.6	K674 M676 Q682	K674-E678 PolarHBondContact O-N 3.09Å; K674-E678 VanDerWaalsContact O-N 3.16Å; M676-E678 PolarHBondContact O-N 3.27Å; E678-Q682 WeakPolarHBondContact O-CB 3.44Å; E678-Q682 VanDerWaalsContact O-CG 3.32Å; E678-Q682 WeakPolarHBondContact O-CG 3.21Å; E678-Q682 PolarHBondContact O-N 2.81Å
679	K	59.8	Low	58.1	Low	141 Å²	141	114.5 Å²	114.5	61%	0.613	53%	0.532	S	S	*	.	H	α-helix	trans	-69.3	-39.8	172.4	-70	179.5	179.3	-175.9	0	112.4	S675 M676 L677 Q682 A683	S675-K679 PolarHBondContact O-N 2.87Å; M676-K679 WeakPolarHBondContact O-CB 3.35Å; M676-K679 PolarHBondContact O-N 3.05Å; L677-K679 VanDerWaalsContact C-N 3.28Å; L677-K679 PolarHBondContact O-N 3.1Å; K679-Q682 PolarHBondContact O-N 3.16Å; K679-A683 WeakPolarHBondContact O-CB 3.38Å; K679-A683 PolarHBondContact O-N 2.78Å
680	Y	50.2	Low	58.2	Low	136 Å²	136	113.6 Å²	113.6	53%	0.533	54%	0.538	S	S	.	.	H	α-helix	trans	-68	-39.9	177.3	-170.7	-102	0	0	0	111.9	M676 L677 A683 Q684	M676-Y680 PolarHBondContact O-N 2.83Å; L677-Y680 PolarHBondContact O-N 3.26Å; Y680-A683 WeakPolarHBondContact O-CB 3.43Å; Y680-A683 PolarHBondContact O-N 2.64Å; Y680-A683 VanDerWaalsContact O-N 3.16Å; Y680-Q684 HydrophobicContact CD1-CG 4.4Å; Y680-Q684 HydrophobicContact CE1-CG 4Å; Y680-Q684 PolarHBondContact O-N 2.84Å
681	R	63.9	Low	58.2	Low	171 Å²	171	118.2 Å²	118.2	65%	0.645	56%	0.555	S	S	*	*	H	α-helix	trans	-63.5	-41.7	174.8	-138.4	-178.9	103.4	150.1	5.9	111.8	L677 A683 Q684 E685	L677-R681 WeakPolarHBondContact O-CB 3.48Å; L677-R681 PolarHBondContact O-N 2.75Å; R681-A683 VanDerWaalsContact C-N 3.34Å; R681-A683 PolarHBondContact O-N 3.4Å; R681-Q684 PolarHBondContact O-N 2.84Å; R681-E685 IonicContact NE-OE1 3.81Å; R681-E685 IonicContact NH2-OE1 3.69Å; R681-E685 WeakPolarHBondContact O-CB 3.21Å; R681-E685 PolarHBondContact O-N 2.83Å
682	Q	66.1	Low	58	Low	119 Å²	119	113.6 Å²	113.6	56%	0.556	55%	0.552	S	S	*	*	H	α-helix	trans	-62.2	-39.1	171.8	-78.6	175.1	-3.4	0	0	112.3	E678 K679 S686	E678-Q682 WeakPolarHBondContact O-CB 3.44Å; E678-Q682 VanDerWaalsContact O-CG 3.32Å; E678-Q682 WeakPolarHBondContact O-CG 3.21Å; E678-Q682 PolarHBondContact O-N 2.81Å; K679-Q682 PolarHBondContact O-N 3.16Å; Q682-S686 WeakPolarHBondContact O-CB 3.43Å; Q682-S686 PolarHBondContact O-N 2.83Å; Q682-S686 PolarHBondContact O-OG 3.09Å
683	A	59.5	Low	57.8	Low	56 Å²	56	115 Å²	115	46%	0.463	56%	0.558	S	S	.	*	H	α-helix	trans	-67	-40.8	176.5	0	0	0	0	0	112.4	K679 Y680 R681 S686 A687	K679-A683 WeakPolarHBondContact O-CB 3.38Å; K679-A683 PolarHBondContact O-N 2.78Å; Y680-A683 WeakPolarHBondContact O-CB 3.43Å; Y680-A683 PolarHBondContact O-N 2.64Å; Y680-A683 VanDerWaalsContact O-N 3.16Å; R681-A683 VanDerWaalsContact C-N 3.34Å; R681-A683 PolarHBondContact O-N 3.4Å; A683-S686 WeakPolarHBondContact O-CB 3.3Å; A683-S686 PolarHBondContact O-N 2.85Å; A683-A687 WeakPolarHBondContact O-CB 3.11Å; A683-A687 PolarHBondContact O-N 3.09Å
684	Q	60.1	Low	57.5	Low	93 Å²	93	115.3 Å²	115.3	44%	0.435	58%	0.578	S	S	.	*	H	α-helix	trans	-68.3	-39.7	175.2	-78.6	-142	-16.6	0	0	113.1	Y680 R681 S686 A687 R688	Y680-Q684 HydrophobicContact CD1-CG 4.4Å; Y680-Q684 HydrophobicContact CE1-CG 4Å; Y680-Q684 PolarHBondContact O-N 2.84Å; R681-Q684 PolarHBondContact O-N 2.84Å; Q684-S686 VanDerWaalsContact C-N 3.28Å; Q684-S686 PolarHBondContact O-N 3.49Å; Q684-A687 PolarHBondContact O-N 3.43Å; Q684-R688 WeakPolarHBondContact O-CB 3.35Å; Q684-R688 WeakPolarHBondContact O-CG 3.39Å; Q684-R688 PolarHBondContact O-N 3.32Å
685	E	63.5	Low	57.2	Low	87 Å²	87	114.5 Å²	114.5	41%	0.407	59%	0.59	S	S	.	*	H	α-helix	trans	-64.1	-35.7	173.1	-79.3	176.6	-172.4	0	0	111.5	R681 R688 K689	R681-E685 IonicContact NE-OE1 3.81Å; R681-E685 IonicContact NH2-OE1 3.69Å; R681-E685 WeakPolarHBondContact O-CB 3.21Å; R681-E685 PolarHBondContact O-N 2.83Å; E685-R688 PolarHBondContact O-N 3.45Å; E685-K689 WeakPolarHBondContact O-CB 3.47Å; E685-K689 WeakPolarHBondContact O-CG 3.34Å; E685-K689 PolarHBondContact O-N 3.45Å
686	S	65	Low	56.2	Low	76 Å²	76	114.8 Å²	114.8	53%	0.531	60%	0.603	S	S	.	*	H	α-helix	trans	-66.9	-42.5	174.4	-57.2	0	0	0	0	112	Q682 A683 Q684 K689 A690	Q682-S686 WeakPolarHBondContact O-CB 3.43Å; Q682-S686 PolarHBondContact O-N 2.83Å; Q682-S686 PolarHBondContact O-OG 3.09Å; A683-S686 WeakPolarHBondContact O-CB 3.3Å; A683-S686 PolarHBondContact O-N 2.85Å; Q684-S686 VanDerWaalsContact C-N 3.28Å; Q684-S686 PolarHBondContact O-N 3.49Å; S686-K689 PolarHBondContact O-N 3.43Å; S686-A690 WeakPolarHBondContact O-CB 3.45Å; S686-A690 PolarHBondContact O-N 3.29Å
687	A	55.5	Low	55.6	Low	60 Å²	60	118.8 Å²	118.8	50%	0.496	62%	0.62	S	S	.	*	H	α-helix	trans	-67	-36.4	175.7	0	0	0	0	0	112.7	A683 Q684 A690 R691	A683-A687 WeakPolarHBondContact O-CB 3.11Å; A683-A687 PolarHBondContact O-N 3.09Å; Q684-A687 PolarHBondContact O-N 3.43Å; A687-A690 PolarHBondContact O-N 3.3Å; A687-R691 PolarHBondContact O-N 2.95Å; A687-R691 VanDerWaalsContact O-N 3.15Å
688	R	62.8	Low	54.9	Low	189 Å²	189	127.8 Å²	127.8	71%	0.713	65%	0.65	S	S	*	*	H	α-helix	trans	-67.8	-40.5	173.2	-78.4	-178.2	173.5	-176.9	-1.1	112.2	Q684 E685 A690 R691 S692	Q684-R688 WeakPolarHBondContact O-CB 3.35Å; Q684-R688 WeakPolarHBondContact O-CG 3.39Å; Q684-R688 PolarHBondContact O-N 3.32Å; E685-R688 PolarHBondContact O-N 3.45Å; R688-A690 VanDerWaalsContact C-N 3.35Å; R688-R691 PolarHBondContact O-N 3.08Å; R688-S692 PolarHBondContact O-N 3.19Å; R688-S692 VanDerWaalsContact O-N 3.1Å
689	K	58.3	Low	54.1	Low	147 Å²	147	129.7 Å²	129.7	64%	0.639	66%	0.664	S	S	*	*	H	α-helix	trans	-66.7	-32.7	174	-79	176.5	178.1	173	0	113	E685 S686 K693	E685-K689 WeakPolarHBondContact O-CB 3.47Å; E685-K689 WeakPolarHBondContact O-CG 3.34Å; E685-K689 PolarHBondContact O-N 3.45Å; S686-K689 PolarHBondContact O-N 3.43Å; K689-K693 PolarHBondContact O-N 3.08Å
690	A	54.8	Low	52.9	Low	73 Å²	73	134.9 Å²	134.9	60%	0.603	68%	0.68	S	S	*	*	H	α-helix	trans	-68.7	-37	174.1	0	0	0	0	0	112.3	S686 A687 R688	S686-A690 WeakPolarHBondContact O-CB 3.45Å; S686-A690 PolarHBondContact O-N 3.29Å; A687-A690 PolarHBondContact O-N 3.3Å; R688-A690 VanDerWaalsContact C-N 3.35Å
691	R	54.4	Low	52.3	Low	228 Å²	228	134.7 Å²	134.7	86%	0.86	69%	0.693	S	S	*	*	H	α-helix	trans	-71.4	-31.2	174.4	-82.9	-178.1	171.8	178.6	-2	113.7	A687 R688	A687-R691 PolarHBondContact O-N 2.95Å; A687-R691 VanDerWaalsContact O-N 3.15Å; R688-R691 PolarHBondContact O-N 3.08Å
692	S	53	Low	51.8	Low	89 Å²	89	132.3 Å²	132.3	62%	0.622	70%	0.7	S	S	*	*	H	α-helix	trans	-81.6	-10.6	-179.8	99.8	0	0	0	0	114.5	R688	R688-S692 PolarHBondContact O-N 3.19Å; R688-S692 VanDerWaalsContact O-N 3.1Å
693	K	51.1	Low	50.3	Low	194 Å²	194	138.3 Å²	138.3	84%	0.843	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	0.9	176.5	-96.8	-173.1	176	-176.8	0	114.2	K689	K689-K693 PolarHBondContact O-N 3.08Å
694	G	47.1	Very low	49.3	Very low	70 Å²	70	142.7 Å²	142.7	72%	0.722	73%	0.733	S	S	*	*	S	Bend	trans	-95.6	1.9	-174.3	0	0	0	0	0	117
695	S	47.2	Very low	48.1	Very low	119 Å²	119	150.1 Å²	150.1	83%	0.832	77%	0.774	S	S	*	*			trans	-118.5	56.1	-175.5	71.6	0	0	0	0	113.5
696	G	38.5	Very low	47.4	Very low	69 Å²	69	153.3 Å²	153.3	71%	0.711	79%	0.793	S	S	*	*			trans	-137.4	112	171.2	0	0	0	0	0	110.8
697	E	44.5	Very low	46.4	Very low	195 Å²	195	157.3 Å²	157.3	91%	0.911	81%	0.807	S	S	*	*			trans	-40.5	136.6	178.6	-68.4	168	132.3	0	0	114.4
698	R	36.8	Very low	45.9	Very low	246 Å²	246	162.7 Å²	162.7	93%	0.928	82%	0.824	S	S	*	*			trans	-163.7	115.4	139.9	-110.7	165.3	-178.8	-167.7	-0.7	112.4
699	N	43.6	Very low	44.9	Very low	166 Å²	166	161.2 Å²	161.2	89%	0.888	83%	0.83	S	S	*	*			trans	-32.4	133.2	164.1	-73.5	-27.9	0	0	0	114.1
700	R	35.5	Very low	44.1	Very low	250 Å²	250	162.1 Å²	162.1	94%	0.943	84%	0.842	S	S	*	*			trans	-132.8	121	153.8	-86.5	-174.6	172.7	169.5	-2.5	110.4
701	T	37.8	Very low	43.4	Very low	132 Å²	132	168 Å²	168	81%	0.81	86%	0.858	S	S	*	*			trans	-66.4	159.3	165.7	39.5	0	0	0	0	111.2
702	P	52.8	Low	42.6	Very low	121 Å²	121	163.7 Å²	163.7	79%	0.786	86%	0.858	S	S	*	*			trans	-90	143.1	-176.3	34.7	-29.7	0	0	0	111.3
703	R	33.7	Very low	41.8	Very low	244 Å²	244	169.5 Å²	169.5	92%	0.921	88%	0.876	S	S	*	*			trans	-160.1	137.7	150.2	-123.1	177.1	-174.7	173.7	1.2	113.5
704	D	38.8	Very low	41	Very low	149 Å²	149	167.4 Å²	167.4	80%	0.797	88%	0.879	S	S	*	*			trans	-50.3	146.6	169.8	-57.7	-61.6	0	0	0	114.3
705	L	36	Very low	40.5	Very low	248 Å²	248	176.3 Å²	176.3	100%	1.298	89%	0.893	S	S	*	*				-166	0	113.3	-100.6	163.8	0	0	0	109.9

Retrieved 705 of 705 residues in 777.4 ms (Link to these results)

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