A0A087XMQ0_POEFO Loading...

Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B

AlphaFold DB , UniProt , Accession A0A087XMQ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 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	39.1	Very low	50.1	Low	184 Å²	184	45.5 Å²	45.5	91%	0.906	25%	0.254	S	S	*	.				0	118.6	0	-101	-160.5	-79.8	0	0	106.4	S3 D370	M1-S3 PolarHBondContact O-N 2.81Å; M1-D370 WeakPolarHBondContact CA-OD2 3.23Å; M1-D370 PolarHBondContact N-OD2 3.49Å
2	L	55.8	Low	50.4	Low	56 Å²	56	43.4 Å²	43.4	29%	0.293	24%	0.241	S	C	.	.			trans	-62.8	103.1	169.2	-67.4	164.3	0	0	0	108.1	V356 M368 D370 V377	L2-V356 HydrophobicContact CD2-CG1 3.82Å; L2-M368 HydrophobicContact CD2-CB 3.85Å; L2-M368 HydrophobicContact CD2-CE 4.19Å; L2-D370 HydrophobicContact CD1-CB 4.28Å; L2-D370 HydrophobicContact CG-CB 4.06Å; L2-V377 HydrophobicContact CD1-CB 4.21Å; L2-V377 HydrophobicContact CD1-CG1 3.88Å; L2-V377 HydrophobicContact CD2-CG1 4.42Å
3	S	45.4	Very low	50	Low	43 Å²	43	45.7 Å²	45.7	30%	0.301	26%	0.257	S	S	.	.			trans	-86.2	159.8	179.1	34.8	0	0	0	0	110.3	M1 I5 D445	M1-S3 PolarHBondContact O-N 2.81Å; S3-I5 PolarHBondContact O-N 2.8Å; S3-I5 VanDerWaalsContact O-N 3.13Å; S3-D445 VanDerWaalsContact CB-CG 3.42Å; S3-D445 WeakPolarHBondContact CB-OD1 3.2Å; S3-D445 WeakPolarHBondContact CB-OD2 3.4Å; S3-D445 PolarHBondContact OG-OD1 3.19Å; S3-D445 PolarHBondContact OG-OD2 3.23Å
4	P	53.4	Low	49.7	Very low	64 Å²	64	43 Å²	43	42%	0.416	24%	0.242	S	C	.	.			trans	-66.7	114.7	-173.5	-16.8	30.5	0	0	0	111.3	V391 K446	P4-V391 HydrophobicContact CB-CG1 3.64Å; P4-K446 WeakPolarHBondContact O-CB 3.45Å; P4-K446 PolarHBondContact O-N 3.22Å
5	I	53.9	Low	48.8	Very low	19 Å²	19	45.1 Å²	45.1	10%	0.097	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.4	179.5	-63.1	-177.4	0	0	0	110.2	S3 M368 L379 V391 L392 I432 F443 Q444	S3-I5 PolarHBondContact O-N 2.8Å; S3-I5 VanDerWaalsContact O-N 3.13Å; I5-M368 HydrophobicContact CD1-CE 3.71Å; I5-M368 HydrophobicContact CD1-SD 3.27Å; I5-M368 WeakPolarHBondContact CD1-SD 3.41Å; I5-L379 HydrophobicContact CB-CD1 4.37Å; I5-L379 HydrophobicContact CD1-CD1 3.79Å; I5-L379 HydrophobicContact CG1-CD1 4.45Å; I5-V391 WeakPolarHBondContact O-CA 3.42Å; I5-L392 HydrophobicContact CG2-CD1 4.2Å; I5-L392 PolarHBondContact O-N 3.2Å; I5-I432 HydrophobicContact CD1-CD1 4.14Å; I5-F443 HydrophobicContact CG2-CB 3.34Å; I5-F443 HydrophobicContact CG2-CG 4.11Å; I5-Q444 CarbonylContact C-O 3.57Å; I5-Q444 WeakPolarHBondContact CA-O 3.45Å
6	Q	48.9	Very low	47.8	Very low	36 Å²	36	46.4 Å²	46.4	17%	0.168	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	149.6	173.1	-73.3	-176.3	-36	0	0	112	L8 R389 A390 V391 F443 Q444 K446	Q6-L8 PolarHBondContact O-N 2.95Å; Q6-R389 PolarHBondContact NE2-O 3.07Å; Q6-A390 WeakPolarHBondContact CA-O 3.18Å; Q6-V391 HydrophobicContact CG-CG2 3.8Å; Q6-F443 CarbonylContact O-C 3.57Å; Q6-F443 WeakPolarHBondContact O-CA 3.17Å; Q6-Q444 WeakPolarHBondContact CA-O 3.44Å; Q6-Q444 PolarHBondContact N-O 3.27Å; Q6-Q444 PolarHBondContact O-N 3.21Å; Q6-Q444 VanDerWaalsContact O-O 3.06Å; Q6-K446 HydrophobicContact CG-CB 3.97Å; Q6-K446 HydrophobicContact CG-CG 4.42Å
7	V	55.6	Low	47	Very low	1 Å²	1	54.6 Å²	54.6	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	114.3	170.9	-171.1	0	0	0	0	109.2	R389 A390 L392 F443	V7-R389 VanDerWaalsContact O-CA 3.28Å; V7-R389 WeakPolarHBondContact O-CA 3.1Å; V7-R389 PolarHBondContact O-N 3.24Å; V7-A390 PolarHBondContact N-O 2.75Å; V7-A390 VanDerWaalsContact N-O 3.14Å; V7-L392 HydrophobicContact CG2-CD2 4.12Å; V7-F443 HydrophobicContact CB-CD1 4.31Å; V7-F443 HydrophobicContact CG1-CD1 4.42Å; V7-F443 HydrophobicContact CG1-CE1 4.37Å; V7-F443 HydrophobicContact CG2-CD1 3.98Å; V7-F443 HydrophobicContact CG2-CE1 3.9Å
8	L	50.5	Low	46.1	Very low	14 Å²	14	58.9 Å²	58.9	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-50.5	171.4	-179.5	123.9	0	0	0	109.3	Q6 Q68 Y71 I442 Q444	Q6-L8 PolarHBondContact O-N 2.95Å; L8-Q68 HydrophobicContact CD1-CB 4.21Å; L8-Q68 WeakPolarHBondContact CD1-O 3.37Å; L8-Y71 HydrophobicContact CD2-CD2 4.36Å; L8-I442 HydrophobicContact CB-CG2 4.35Å; L8-I442 HydrophobicContact CD2-CB 4.4Å; L8-I442 HydrophobicContact CD2-CG2 3.84Å; L8-I442 PolarHBondContact N-O 2.98Å; L8-Q444 HydrophobicContact CB-CB 4.39Å; L8-Q444 HydrophobicContact CB-CG 3.98Å; L8-Q444 HydrophobicContact CD1-CG 4.13Å
9	C	49.3	Very low	45.4	Very low	26 Å²	26	62.8 Å²	62.8	18%	0.176	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	131.5	173.1	-168.4	0	0	0	0	110.3	I442	C9-I442 PolarHBondContact N-O 2.67Å; C9-I442 VanDerWaalsContact N-O 3.16Å; C9-I442 PolarHBondContact O-N 3.28Å; C9-I442 VanDerWaalsContact O-N 3.14Å
10	S	46.1	Very low	44.9	Very low	29 Å²	29	66.5 Å²	66.5	20%	0.203	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.2	169.6	55.9	0	0	0	0	108.5	S386	S10-S386 WeakPolarHBondContact CB-O 3.34Å
11	D	53.5	Low	44.5	Very low	29 Å²	29	68.1 Å²	68.1	16%	0.155	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68	72	174	-47.7	-33.4	0	0	0	114.3	T13 R383 Y441	D11-T13 VanDerWaalsContact C-N 3.28Å; D11-T13 PolarHBondContact O-N 3.12Å; D11-T13 VanDerWaalsContact O-N 3.13Å; D11-R383 WeakPolarHBondContact OD2-CD 3.31Å; D11-R383 VanDerWaalsContact OD2-CG 3.23Å; D11-R383 WeakPolarHBondContact OD2-CG 3.29Å; D11-R383 IonicContact OD2-CZ 3.76Å; D11-R383 IonicContact OD2-NE 3.22Å; D11-R383 PolarHBondContact OD2-NE 3.1Å; D11-Y441 WeakPolarHBondContact OD1-CE1 3.38Å; D11-Y441 PolarHBondContact OD1-OH 3.19Å
12	I	53.3	Low	44.5	Very low	20 Å²	20	68.9 Å²	68.9	10%	0.103	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	90.6	154	-50	168.8	0	0	0	106.4	T14 F55 Y71 L440 I442	I12-T14 PolarHBondContact O-N 3.39Å; I12-F55 HydrophobicContact CB-CE1 4.22Å; I12-F55 HydrophobicContact CB-CZ 4.48Å; I12-F55 HydrophobicContact CD1-CD1 4.24Å; I12-F55 HydrophobicContact CD1-CE1 4.37Å; I12-F55 HydrophobicContact CG2-CD1 3.98Å; I12-F55 HydrophobicContact CG2-CE1 3.2Å; I12-F55 HydrophobicContact CG2-CZ 3.77Å; I12-Y71 WeakPolarHBondContact CD1-O 3.13Å; I12-L440 HydrophobicContact CD1-CD2 4.49Å; I12-L440 PolarHBondContact N-O 3.05Å; I12-I442 HydrophobicContact CD1-CD1 3.61Å; I12-I442 HydrophobicContact CD1-CG1 4.41Å
13	T	45.4	Very low	44	Very low	73 Å²	73	69.8 Å²	69.8	45%	0.448	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	110.3	172	42.2	0	0	0	0	108.3	D11 L15	D11-T13 VanDerWaalsContact C-N 3.28Å; D11-T13 PolarHBondContact O-N 3.12Å; D11-T13 VanDerWaalsContact O-N 3.13Å; T13-L15 VanDerWaalsContact C-N 3.35Å; T13-L15 PolarHBondContact O-N 2.92Å
14	T	45.8	Very low	44.5	Very low	8 Å²	8	72.7 Å²	72.7	5%	0.049	42%	0.415	C	S	.	.	S	Bend	trans	-66.2	100.8	165.6	40.2	0	0	0	0	107.2	I12 I31 V53 F55 N438	I12-T14 PolarHBondContact O-N 3.39Å; T14-I31 HydrophobicContact CG2-CD1 4.42Å; T14-V53 HydrophobicContact CG2-CB 4.24Å; T14-V53 HydrophobicContact CG2-CG2 3.97Å; T14-F55 HydrophobicContact CG2-CZ 3.98Å; T14-N438 PolarHBondContact OG1-O 2.89Å
15	L	35.6	Very low	45.2	Very low	74 Å²	74	76 Å²	76	39%	0.387	42%	0.42	S	S	.	.	S	Bend	trans	77.6	89.3	175.6	-58.1	104.4	0	0	0	118.3	T13 V53 T76	T13-L15 VanDerWaalsContact C-N 3.35Å; T13-L15 PolarHBondContact O-N 2.92Å; L15-V53 HydrophobicContact CD1-CG2 4.17Å; L15-T76 HydrophobicContact CD2-CG2 4.22Å
16	S	33.4	Very low	46.8	Very low	67 Å²	67	78.6 Å²	78.6	47%	0.469	44%	0.437	S	S	.	.				-161.4	131.1	118.9	53.5	0	0	0	0	109.1	E18	S16-E18 PolarHBondContact O-N 2.9Å; S16-E18 PolarHBondContact OG-O 3.41Å
17	L	34.8	Very low	48.6	Very low	186 Å²	186	83.1 Å²	83.1	97%	0.974	46%	0.459	S	S	*	.	S	Bend	trans	-68.7	10.7	179.9	-96.1	158.8	0	0	0	114.3
18	E	29.7	Very low	50.3	Low	132 Å²	132	84.8 Å²	84.8	62%	0.617	47%	0.472	S	S	*	.	S	Bend	trans	-145.9	141.9	175.7	-66.9	-170.4	160.8	0	0	111.1	S16 E20	S16-E18 PolarHBondContact O-N 2.9Å; S16-E18 PolarHBondContact OG-O 3.41Å; E18-E20 VanDerWaalsContact C-N 3.29Å; E18-E20 PolarHBondContact O-N 3.27Å
19	P	33.5	Very low	52.3	Low	133 Å²	133	85.1 Å²	85.1	86%	0.864	47%	0.474	S	S	*	.			trans	-79.3	77.3	174.4	33.1	-32	0	0	0	109.8
20	E	34.2	Very low	54.4	Low	135 Å²	135	85.9 Å²	85.9	63%	0.631	48%	0.476	S	S	*	.			trans	-84	127.5	168.2	-81.5	-66.9	160.5	0	0	109.8	E18 F22	E18-E20 VanDerWaalsContact C-N 3.29Å; E18-E20 PolarHBondContact O-N 3.27Å; E20-F22 PolarHBondContact O-N 2.63Å
21	P	37.7	Very low	56.8	Low	102 Å²	102	84.8 Å²	84.8	66%	0.662	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	3.1	-166.3	-15.8	29.8	0	0	0	116.2
22	F	39.2	Very low	58.9	Low	199 Å²	199	83.6 Å²	83.6	87%	0.873	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151	35.1	-172.4	-72.3	-79.2	0	0	0	114.5	E20 S24	E20-F22 PolarHBondContact O-N 2.63Å; F22-S24 PolarHBondContact O-N 3.32Å
23	A	44.4	Very low	61.1	Low	75 Å²	75	82.8 Å²	82.8	62%	0.62	46%	0.458	S	S	*	.			trans	-67.5	105.5	167.9	0	0	0	0	0	109.3	Y25	A23-Y25 PolarHBondContact O-N 2.9Å; A23-Y25 VanDerWaalsContact O-N 3.14Å
24	S	56.4	Low	63.6	Low	105 Å²	105	79.4 Å²	79.4	73%	0.734	44%	0.437	S	S	*	.			trans	-60.3	112.8	164.2	55.8	0	0	0	0	107.3	F22	F22-S24 PolarHBondContact O-N 3.32Å
25	Y	67.7	Low	66.1	Low	132 Å²	132	81.1 Å²	81.1	52%	0.518	44%	0.444	S	S	.	.			trans	-62.1	142.1	175.4	63.8	-89.7	0	0	0	109.6	A23 T437 N438	A23-Y25 PolarHBondContact O-N 2.9Å; A23-Y25 VanDerWaalsContact O-N 3.14Å; Y25-T437 HydrophobicContact CD2-CG2 4.09Å; Y25-T437 HydrophobicContact CE2-CG2 3.47Å; Y25-T437 VanDerWaalsContact CE2-CG2 3.47Å; Y25-N438 VanDerWaalsContact CB-ND2 3.28Å; Y25-N438 WeakPolarHBondContact CB-ND2 3.35Å; Y25-N438 HydrophobicContact CD2-CB 4.38Å; Y25-N438 HydrophobicContact CG-CB 4.35Å
26	T	86.9	Confident	69	Low	74 Å²	74	78.3 Å²	78.3	45%	0.454	43%	0.429	S	S	.	.			trans	-91.6	164.4	177.3	66.6	0	0	0	0	110.1	A28 D29	T26-A28 PolarHBondContact O-N 2.93Å; T26-D29 WeakPolarHBondContact CB-OD2 3.46Å; T26-D29 PolarHBondContact N-OD2 3.39Å; T26-D29 PolarHBondContact O-N 2.92Å; T26-D29 PolarHBondContact OG1-OD2 3.16Å
27	E	88.2	Confident	72.1	Confident	132 Å²	132	75.5 Å²	75.5	62%	0.617	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-58.9	-30.8	174	-178.1	165.5	-167	0	0	112.1	D29 I30 K48	E27-D29 PolarHBondContact O-N 2.68Å; E27-I30 HydrophobicContact CG-CD1 4.18Å; E27-I30 WeakPolarHBondContact O-CB 3.28Å; E27-I30 WeakPolarHBondContact O-CG1 3.28Å; E27-I30 PolarHBondContact O-N 2.75Å; E27-K48 HydrophobicContact CG-CD 3.74Å; E27-K48 WeakPolarHBondContact O-CB 3.27Å; E27-K48 WeakPolarHBondContact O-CD 3.4Å; E27-K48 IonicContact OE1-NZ 2.77Å; E27-K48 PolarHBondContact OE1-NZ 2.75Å
28	A	91.8	Very high	74.9	Confident	35 Å²	35	71.6 Å²	71.6	29%	0.289	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-63.5	-25.2	176.3	0	0	0	0	0	113.4	T26 I30 D47 G49 R51	T26-A28 PolarHBondContact O-N 2.93Å; A28-I30 VanDerWaalsContact C-N 3.3Å; A28-I30 PolarHBondContact O-N 2.97Å; A28-D47 WeakPolarHBondContact O-CB 3.46Å; A28-D47 VanDerWaalsContact O-CG 3.25Å; A28-G49 PolarHBondContact O-N 3.06Å; A28-R51 PolarHBondContact O-NH2 2.78Å
29	D	91.1	Very high	77.9	Confident	22 Å²	22	67.9 Å²	67.9	12%	0.118	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-84.2	-2.7	179.9	-52.1	-56.3	0	0	0	113.4	T26 E27 I31 R51 N438	T26-D29 WeakPolarHBondContact CB-OD2 3.46Å; T26-D29 PolarHBondContact N-OD2 3.39Å; T26-D29 PolarHBondContact O-N 2.92Å; T26-D29 PolarHBondContact OG1-OD2 3.16Å; E27-D29 PolarHBondContact O-N 2.68Å; D29-I31 PolarHBondContact O-N 3.31Å; D29-R51 IonicContact OD1-CZ 3.86Å; D29-R51 VanDerWaalsContact OD1-CZ 3.29Å; D29-R51 IonicContact OD1-NH1 3.89Å; D29-R51 PolarHBondContact OD1-NH1 3.24Å; D29-R51 IonicContact OD1-NH2 3.63Å; D29-R51 PolarHBondContact OD1-NH2 2.84Å; D29-N438 HydrophobicContact CB-CB 4.17Å; D29-N438 WeakPolarHBondContact O-CA 3.23Å; D29-N438 VanDerWaalsContact O-CB 3.25Å; D29-N438 WeakPolarHBondContact O-CB 3.21Å
30	I	94.4	Very high	80.8	Confident	41 Å²	41	61.5 Å²	61.5	21%	0.21	33%	0.331	C	S	.	.	S	Bend	trans	-72.1	121.4	178.6	-60.7	179	0	0	0	109.5	E27 A28 S32 D47 K48 T437	E27-I30 HydrophobicContact CG-CD1 4.18Å; E27-I30 WeakPolarHBondContact O-CB 3.28Å; E27-I30 WeakPolarHBondContact O-CG1 3.28Å; E27-I30 PolarHBondContact O-N 2.75Å; A28-I30 VanDerWaalsContact C-N 3.3Å; A28-I30 PolarHBondContact O-N 2.97Å; I30-S32 PolarHBondContact O-N 3.3Å; I30-D47 CarbonylContact O-C 3.57Å; I30-D47 VanDerWaalsContact O-CA 3.29Å; I30-D47 WeakPolarHBondContact O-CA 3.43Å; I30-D47 WeakPolarHBondContact O-CB 3.1Å; I30-K48 HydrophobicContact CB-CD 4.08Å; I30-K48 HydrophobicContact CB-CG 4.21Å; I30-K48 HydrophobicContact CD1-CD 4.43Å; I30-K48 HydrophobicContact CG2-CD 4.44Å; I30-K48 PolarHBondContact O-N 2.8Å; I30-T437 HydrophobicContact CD1-CG2 4.34Å; I30-T437 HydrophobicContact CG1-CG2 3.97Å
31	I	96.8	Very high	83.6	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.9	177.4	-60.8	170.6	0	0	0	109.2	T14 D29 V34 T45 G46 H422 A435 T437 L440	T14-I31 HydrophobicContact CG2-CD1 4.42Å; D29-I31 PolarHBondContact O-N 3.31Å; I31-V34 HydrophobicContact CG2-CG2 3.78Å; I31-T45 HydrophobicContact CG2-CG2 4.4Å; I31-G46 WeakPolarHBondContact CA-O 3.05Å; I31-H422 PolarHBondContact O-CD2 2.83Å; I31-A435 HydrophobicContact CB-CB 3.93Å; I31-A435 HydrophobicContact CD1-CB 4.39Å; I31-A435 HydrophobicContact CG2-CB 3.65Å; I31-T437 PolarHBondContact N-O 2.63Å; I31-L440 HydrophobicContact CD1-CB 3.95Å
32	S	97.5	Very high	86.4	Confident	5 Å²	5	55.4 Å²	55.4	4%	0.035	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-5.7	-175.6	55.9	0	0	0	0	114.1	I30 G46 D47 I96 H422	I30-S32 PolarHBondContact O-N 3.3Å; S32-G46 PolarHBondContact N-O 3.04Å; S32-G46 PolarHBondContact OG-O 3.3Å; S32-D47 VanDerWaalsContact OG-C 3.31Å; S32-D47 PolarHBondContact OG-O 2.72Å; S32-I96 VanDerWaalsContact CB-O 3.31Å; S32-I96 WeakPolarHBondContact CB-O 3.42Å; S32-I96 PolarHBondContact OG-O 2.81Å; S32-H422 PolarHBondContact O-CE1 3.34Å; S32-H422 PolarHBondContact O-ND1 3.02Å; S32-H422 PolarHBondContact O-NE2 3.42Å
33	T	98.2	Very high	89.2	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	148.3	172.1	-177.3	0	0	0	0	110.2	T45 G46 I96 I99	T33-T45 VanDerWaalsContact O-CA 3.32Å; T33-T45 WeakPolarHBondContact O-CA 3.49Å; T33-G46 PolarHBondContact N-O 3.16Å; T33-G46 PolarHBondContact O-N 3Å; T33-I96 HydrophobicContact CG2-CB 4.4Å; T33-I96 HydrophobicContact CG2-CG2 3.8Å; T33-I99 HydrophobicContact CG2-CB 4.36Å; T33-I99 HydrophobicContact CG2-CD1 3.8Å; T33-I99 HydrophobicContact CG2-CG1 3.77Å
34	V	98.1	Very high	91.7	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.8	177.9	-174.6	0	0	0	0	108.8	I31 L43 A44 T45 H422 A424 A433 A435 L440	I31-V34 HydrophobicContact CG2-CG2 3.78Å; V34-L43 HydrophobicContact CG1-CD1 3.69Å; V34-A44 WeakPolarHBondContact CA-O 3.5Å; V34-T45 HydrophobicContact CG1-CG2 4.29Å; V34-T45 HydrophobicContact CG2-CG2 4.16Å; V34-H422 HydrophobicContact CG2-CB 4.2Å; V34-A424 HydrophobicContact CB-CB 4.33Å; V34-A424 HydrophobicContact CG1-CB 3.88Å; V34-A433 HydrophobicContact CG1-CB 3.83Å; V34-A435 HydrophobicContact CG2-CB 3.82Å; V34-L440 HydrophobicContact CG1-CD1 4.16Å; V34-L440 HydrophobicContact CG2-CD1 4.21Å
35	E	98.2	Very high	93.7	Very high	44 Å²	44	37.4 Å²	37.4	21%	0.206	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	124.8	-176.5	-171.2	81.9	164.1	0	0	112.3	A44 I99 R100 W101	E35-A44 PolarHBondContact N-O 3.18Å; E35-A44 PolarHBondContact O-N 2.97Å; E35-I99 HydrophobicContact CB-CB 4.41Å; E35-I99 HydrophobicContact CB-CG2 4.39Å; E35-R100 WeakPolarHBondContact OE1-CD 3.39Å; E35-R100 IonicContact OE1-CZ 3.29Å; E35-R100 IonicContact OE1-NE 3.86Å; E35-R100 IonicContact OE1-NH1 3.12Å; E35-R100 PolarHBondContact OE1-NH1 2.86Å; E35-R100 IonicContact OE2-CZ 2.64Å; E35-R100 IonicContact OE2-NH1 3.16Å; E35-R100 PolarHBondContact OE2-NH1 2.92Å; E35-W101 PolarHBondContact O-NE1 2.82Å
36	F	97.8	Very high	95.2	Very high	16 Å²	16	31.2 Å²	31.2	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	147.7	168	-75.9	-79	0	0	0	111.3	L42 L43 Y71 W101 A424 W425 H426 I431 A433	F36-L42 WeakPolarHBondContact CA-O 3.32Å; F36-L43 HydrophobicContact CD1-CB 3.98Å; F36-L43 HydrophobicContact CD1-CD1 3.87Å; F36-L43 HydrophobicContact CD1-CG 4.44Å; F36-L43 HydrophobicContact CD2-CD1 4Å; F36-L43 HydrophobicContact CE1-CB 3.88Å; F36-L43 HydrophobicContact CE1-CD1 3.84Å; F36-L43 HydrophobicContact CE1-CD2 4.1Å; F36-L43 HydrophobicContact CE1-CG 4.16Å; F36-L43 HydrophobicContact CE2-CD1 3.97Å; F36-L43 HydrophobicContact CG-CD1 3.95Å; F36-L43 HydrophobicContact CZ-CD1 3.89Å; F36-L43 HydrophobicContact CZ-CD2 4.09Å; F36-L43 HydrophobicContact CZ-CG 4.43Å; F36-Y71 AromaticContact CE1-CE1 3.98Å; F36-Y71 HydrophobicContact CE1-CE1 3.98Å; F36-Y71 AromaticContact CE1-CZ 3.79Å; F36-W101 VanDerWaalsContact C-CD1 3.46Å; F36-A424 HydrophobicContact CD2-CB 3.78Å; F36-A424 HydrophobicContact CE2-CB 4.03Å; F36-W425 VanDerWaalsContact CD2-C 3.49Å; F36-W425 WeakPolarHBondContact CD2-O 3.35Å; F36-H426 HydrophobicContact CE1-CB 4.49Å; F36-H426 HydrophobicContact CE2-CB 4.3Å; F36-H426 HydrophobicContact CZ-CB 4.3Å; F36-I431 HydrophobicContact CZ-CG2 4.22Å; F36-A433 HydrophobicContact CE2-CB 3.82Å; F36-A433 HydrophobicContact CZ-CB 3.94Å
37	N	96.7	Very high	95.7	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.043	14%	0.143	C	C	.	.			trans	-71.9	171.1	165.3	78.8	-20.3	0	0	0	110.8	T39 G40 E41 L42 W101	N37-T39 VanDerWaalsContact C-N 3.25Å; N37-T39 PolarHBondContact ND2-OG1 2.64Å; N37-T39 PolarHBondContact O-N 3.19Å; N37-T39 PolarHBondContact OD1-OG1 3.4Å; N37-G40 PolarHBondContact O-N 2.71Å; N37-G40 VanDerWaalsContact OD1-CA 3.26Å; N37-G40 WeakPolarHBondContact OD1-CA 3.4Å; N37-G40 PolarHBondContact OD1-N 2.84Å; N37-E41 PolarHBondContact OD1-N 2.86Å; N37-E41 VanDerWaalsContact OD1-N 3.15Å; N37-L42 HydrophobicContact CB-CB 4.09Å; N37-L42 PolarHBondContact N-O 3.13Å; N37-L42 PolarHBondContact OD1-N 3.18Å; N37-L42 VanDerWaalsContact OD1-N 3.07Å; N37-L42 PolarHBondContact OD1-O 2.92Å; N37-W101 VanDerWaalsContact CA-CD1 3.44Å; N37-W101 HydrophobicContact CB-CB 4.27Å; N37-W101 HydrophobicContact CB-CD2 3.59Å; N37-W101 HydrophobicContact CB-CE3 4.08Å; N37-W101 HydrophobicContact CB-CG 3.68Å; N37-W101 HydrophobicContact CB-CZ2 4.32Å
38	H	94.6	Very high	96.1	Very high	104 Å²	104	24.6 Å²	24.6	48%	0.481	13%	0.127	S	C	.	.	S	Bend	trans	-60.2	-29.2	-176.7	-61.6	87.8	0	0	0	114.5	W101 L102 P427	H38-W101 PolarHBondContact CE1-O 2.78Å; H38-W101 VanDerWaalsContact CE1-O 3.3Å; H38-L102 VanDerWaalsContact CE1-C 3.41Å; H38-L102 PolarHBondContact ND1-O 2.8Å; H38-P427 WeakPolarHBondContact O-CG 3.44Å
39	T	93.3	Very high	96.4	Very high	53 Å²	53	23.3 Å²	23.3	33%	0.325	12%	0.117	S	C	.	.	S	Bend	trans	-82.8	-27.4	176.9	62.1	0	0	0	0	111.9	N37 E41	N37-T39 VanDerWaalsContact C-N 3.25Å; N37-T39 PolarHBondContact ND2-OG1 2.64Å; N37-T39 PolarHBondContact O-N 3.19Å; N37-T39 PolarHBondContact OD1-OG1 3.4Å; T39-E41 VanDerWaalsContact C-N 3.28Å; T39-E41 WeakPolarHBondContact OG1-CB 3.4Å; T39-E41 WeakPolarHBondContact OG1-CG 3.46Å; T39-E41 PolarHBondContact OG1-N 3.29Å; T39-E41 PolarHBondContact OG1-OE2 2.9Å
40	G	93.7	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	84.4	-3.5	-170.6	0	0	0	0	0	113.9	N37 L42 Y71 H426	N37-G40 PolarHBondContact O-N 2.71Å; N37-G40 VanDerWaalsContact OD1-CA 3.26Å; N37-G40 WeakPolarHBondContact OD1-CA 3.4Å; N37-G40 PolarHBondContact OD1-N 2.84Å; G40-L42 VanDerWaalsContact C-N 3.26Å; G40-L42 PolarHBondContact O-N 3.47Å; G40-Y71 PolarHBondContact O-OH 3.16Å; G40-H426 VanDerWaalsContact CA-NE2 3.29Å; G40-H426 WeakPolarHBondContact CA-NE2 3.48Å; G40-H426 PolarHBondContact O-CD2 3.45Å; G40-H426 PolarHBondContact O-NE2 2.82Å
41	E	93.6	Very high	96.8	Very high	107 Å²	107	22.1 Å²	22.1	50%	0.5	11%	0.108	S	C	.	.	S	Bend	trans	-68	-27.8	177.5	-64.8	166.2	148.9	0	0	112.6	N37 T39 Q56 R57	N37-E41 PolarHBondContact OD1-N 2.86Å; N37-E41 VanDerWaalsContact OD1-N 3.15Å; T39-E41 VanDerWaalsContact C-N 3.28Å; T39-E41 WeakPolarHBondContact OG1-CB 3.4Å; T39-E41 WeakPolarHBondContact OG1-CG 3.46Å; T39-E41 PolarHBondContact OG1-N 3.29Å; T39-E41 PolarHBondContact OG1-OE2 2.9Å; E41-Q56 WeakPolarHBondContact O-CA 3.48Å; E41-R57 PolarHBondContact O-N 3.32Å
42	L	96.1	Very high	96.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.8	176.9	-56.2	178.1	0	0	0	110.9	F36 N37 G40 I54 F55 Q56 Y74 W101 H109	F36-L42 WeakPolarHBondContact CA-O 3.32Å; N37-L42 HydrophobicContact CB-CB 4.09Å; N37-L42 PolarHBondContact N-O 3.13Å; N37-L42 PolarHBondContact OD1-N 3.18Å; N37-L42 VanDerWaalsContact OD1-N 3.07Å; N37-L42 PolarHBondContact OD1-O 2.92Å; G40-L42 VanDerWaalsContact C-N 3.26Å; G40-L42 PolarHBondContact O-N 3.47Å; L42-I54 HydrophobicContact CB-CG2 4.26Å; L42-I54 HydrophobicContact CD1-CG2 4.47Å; L42-I54 HydrophobicContact CD2-CG2 4.21Å; L42-F55 CarbonylContact C-O 3.51Å; L42-F55 VanDerWaalsContact CA-O 3.26Å; L42-F55 WeakPolarHBondContact CA-O 3.49Å; L42-Q56 HydrophobicContact CD2-CB 3.64Å; L42-Q56 HydrophobicContact CD2-CG 3.79Å; L42-Y74 HydrophobicContact CD2-CD1 4.32Å; L42-W101 HydrophobicContact CB-CH2 4.02Å; L42-W101 HydrophobicContact CB-CZ2 3.95Å; L42-W101 HydrophobicContact CD1-CH2 3.73Å; L42-W101 HydrophobicContact CD1-CZ2 4.49Å; L42-W101 HydrophobicContact CD1-CZ3 4.03Å; L42-H109 HydrophobicContact CD1-CB 4.29Å
43	L	97.5	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.5	173.5	175.2	60.3	0	0	0	108.4	V34 F36 I54 F55 Y71 A433 L440 I442	V34-L43 HydrophobicContact CG1-CD1 3.69Å; F36-L43 HydrophobicContact CD1-CB 3.98Å; F36-L43 HydrophobicContact CD1-CD1 3.87Å; F36-L43 HydrophobicContact CD1-CG 4.44Å; F36-L43 HydrophobicContact CD2-CD1 4Å; F36-L43 HydrophobicContact CE1-CB 3.88Å; F36-L43 HydrophobicContact CE1-CD1 3.84Å; F36-L43 HydrophobicContact CE1-CD2 4.1Å; F36-L43 HydrophobicContact CE1-CG 4.16Å; F36-L43 HydrophobicContact CE2-CD1 3.97Å; F36-L43 HydrophobicContact CG-CD1 3.95Å; F36-L43 HydrophobicContact CZ-CD1 3.89Å; F36-L43 HydrophobicContact CZ-CD2 4.09Å; F36-L43 HydrophobicContact CZ-CG 4.43Å; L43-I54 CarbonylContact O-C 3.55Å; L43-I54 WeakPolarHBondContact O-CA 3.24Å; L43-F55 HydrophobicContact CB-CB 4.35Å; L43-F55 HydrophobicContact CG-CD2 4.38Å; L43-F55 PolarHBondContact N-O 3.06Å; L43-F55 WeakPolarHBondContact O-CD2 3.28Å; L43-F55 PolarHBondContact O-N 3.28Å; L43-Y71 HydrophobicContact CB-CD1 3.93Å; L43-Y71 HydrophobicContact CB-CE1 4.03Å; L43-A433 HydrophobicContact CD1-CB 4.04Å; L43-A433 HydrophobicContact CD2-CB 3.77Å; L43-L440 HydrophobicContact CD2-CD2 3.93Å; L43-I442 HydrophobicContact CD2-CD1 3.89Å; L43-I442 HydrophobicContact CD2-CG1 4.38Å
44	A	98.1	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.7	175.8	0	0	0	0	0	111.3	V34 E35 V53 I99 W101	V34-A44 WeakPolarHBondContact CA-O 3.5Å; E35-A44 PolarHBondContact N-O 3.18Å; E35-A44 PolarHBondContact O-N 2.97Å; A44-V53 CarbonylContact C-O 3.55Å; A44-V53 WeakPolarHBondContact CA-O 3.4Å; A44-I99 HydrophobicContact CB-CD1 4.17Å; A44-I99 HydrophobicContact CB-CG2 4.11Å; A44-W101 HydrophobicContact CB-CZ2 3.7Å
45	T	98.4	Very high	96.8	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.7	167.3	59	0	0	0	0	110.3	I31 T33 V34 V52 V53 F55 L440	I31-T45 HydrophobicContact CG2-CG2 4.4Å; T33-T45 VanDerWaalsContact O-CA 3.32Å; T33-T45 WeakPolarHBondContact O-CA 3.49Å; V34-T45 HydrophobicContact CG1-CG2 4.29Å; V34-T45 HydrophobicContact CG2-CG2 4.16Å; T45-V52 WeakPolarHBondContact O-CA 3.17Å; T45-V53 PolarHBondContact N-O 3.5Å; T45-V53 PolarHBondContact O-N 2.81Å; T45-F55 HydrophobicContact CG2-CE2 3.99Å; T45-L440 HydrophobicContact CG2-CD1 4.05Å; T45-L440 HydrophobicContact CG2-CD2 3.77Å; T45-L440 HydrophobicContact CG2-CG 4.46Å
46	G	98.1	Very high	96.6	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	150.1	167.1	0	0	0	0	0	110.2	I31 S32 T33 R51	I31-G46 WeakPolarHBondContact CA-O 3.05Å; S32-G46 PolarHBondContact N-O 3.04Å; S32-G46 PolarHBondContact OG-O 3.3Å; T33-G46 PolarHBondContact N-O 3.16Å; T33-G46 PolarHBondContact O-N 3Å; G46-R51 WeakPolarHBondContact CA-O 3.34Å
47	D	97.3	Very high	96.2	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	173.1	178.7	66.5	24.6	0	0	0	113.6	A28 I30 S32 G49 G50 R51 I96	A28-D47 WeakPolarHBondContact O-CB 3.46Å; A28-D47 VanDerWaalsContact O-CG 3.25Å; I30-D47 CarbonylContact O-C 3.57Å; I30-D47 VanDerWaalsContact O-CA 3.29Å; I30-D47 WeakPolarHBondContact O-CA 3.43Å; I30-D47 WeakPolarHBondContact O-CB 3.1Å; S32-D47 VanDerWaalsContact OG-C 3.31Å; S32-D47 PolarHBondContact OG-O 2.72Å; D47-G49 PolarHBondContact O-N 3.44Å; D47-G49 VanDerWaalsContact OD1-C 3.24Å; D47-G49 WeakPolarHBondContact OD1-CA 3.37Å; D47-G49 PolarHBondContact OD1-N 3.09Å; D47-G50 PolarHBondContact O-N 3.16Å; D47-G50 PolarHBondContact OD1-N 2.85Å; D47-R51 PolarHBondContact N-O 3.03Å; D47-R51 PolarHBondContact OD1-N 2.97Å; D47-R51 IonicContact OD1-NE 3.65Å; D47-R51 WeakPolarHBondContact OD2-CB 3.43Å; D47-R51 IonicContact OD2-CZ 3.79Å; D47-R51 IonicContact OD2-NE 2.76Å; D47-R51 PolarHBondContact OD2-NE 3.3Å; D47-R51 IonicContact OD2-NH2 2.66Å; D47-R51 PolarHBondContact OD2-NH2 2.92Å; D47-I96 PolarHBondContact O-N 3.48Å
48	K	97.1	Very high	95.7	Very high	65 Å²	65	27.7 Å²	27.7	28%	0.283	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26	175.7	-79.2	-166.1	170.7	-173.3	0	113.5	E27 I30 G50 K95	E27-K48 HydrophobicContact CG-CD 3.74Å; E27-K48 WeakPolarHBondContact O-CB 3.27Å; E27-K48 WeakPolarHBondContact O-CD 3.4Å; E27-K48 IonicContact OE1-NZ 2.77Å; E27-K48 PolarHBondContact OE1-NZ 2.75Å; I30-K48 HydrophobicContact CB-CD 4.08Å; I30-K48 HydrophobicContact CB-CG 4.21Å; I30-K48 HydrophobicContact CD1-CD 4.43Å; I30-K48 HydrophobicContact CG2-CD 4.44Å; I30-K48 PolarHBondContact O-N 2.8Å; K48-G50 PolarHBondContact O-N 2.76Å; K48-K95 HydrophobicContact CG-CD 4.19Å; K48-K95 HydrophobicContact CG-CG 4.19Å; K48-K95 VanDerWaalsContact O-CA 3.32Å; K48-K95 WeakPolarHBondContact O-CA 3.4Å; K48-K95 PolarHBondContact O-N 3.21Å
49	G	97	Very high	94.7	Very high	8 Å²	8	28.4 Å²	28.4	8%	0.082	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	10.3	176.3	0	0	0	0	0	114.6	A28 D47 R51 Q78	A28-G49 PolarHBondContact O-N 3.06Å; D47-G49 PolarHBondContact O-N 3.44Å; D47-G49 VanDerWaalsContact OD1-C 3.24Å; D47-G49 WeakPolarHBondContact OD1-CA 3.37Å; D47-G49 PolarHBondContact OD1-N 3.09Å; G49-R51 VanDerWaalsContact C-N 3.29Å; G49-R51 PolarHBondContact O-N 2.85Å; G49-Q78 PolarHBondContact O-NE2 2.9Å
50	G	97.5	Very high	93.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	75.5	11.8	175.4	0	0	0	0	0	115.3	D47 K48 Q78 S79 H80 E94	D47-G50 PolarHBondContact O-N 3.16Å; D47-G50 PolarHBondContact OD1-N 2.85Å; K48-G50 PolarHBondContact O-N 2.76Å; G50-Q78 VanDerWaalsContact C-NE2 3.25Å; G50-Q78 PolarHBondContact O-NE2 3.03Å; G50-S79 WeakPolarHBondContact O-CA 3.12Å; G50-S79 WeakPolarHBondContact O-CB 3.22Å; G50-S79 PolarHBondContact O-N 3.16Å; G50-H80 PolarHBondContact O-N 3.28Å; G50-E94 WeakPolarHBondContact CA-O 3.39Å
51	R	97.9	Very high	91.4	Very high	38 Å²	38	34.6 Å²	34.6	14%	0.143	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	149.4	177.7	-56.9	168.7	-59.5	-169.1	3	110.2	A28 D29 G46 D47 G49 F77 Q78	A28-R51 PolarHBondContact O-NH2 2.78Å; D29-R51 IonicContact OD1-CZ 3.86Å; D29-R51 VanDerWaalsContact OD1-CZ 3.29Å; D29-R51 IonicContact OD1-NH1 3.89Å; D29-R51 PolarHBondContact OD1-NH1 3.24Å; D29-R51 IonicContact OD1-NH2 3.63Å; D29-R51 PolarHBondContact OD1-NH2 2.84Å; G46-R51 WeakPolarHBondContact CA-O 3.34Å; D47-R51 PolarHBondContact N-O 3.03Å; D47-R51 PolarHBondContact OD1-N 2.97Å; D47-R51 IonicContact OD1-NE 3.65Å; D47-R51 WeakPolarHBondContact OD2-CB 3.43Å; D47-R51 IonicContact OD2-CZ 3.79Å; D47-R51 IonicContact OD2-NE 2.76Å; D47-R51 PolarHBondContact OD2-NE 3.3Å; D47-R51 IonicContact OD2-NH2 2.66Å; D47-R51 PolarHBondContact OD2-NH2 2.92Å; G49-R51 VanDerWaalsContact C-N 3.29Å; G49-R51 PolarHBondContact O-N 2.85Å; R51-F77 WeakPolarHBondContact CA-O 3.3Å; R51-Q78 VanDerWaalsContact CG-OE1 3.23Å
52	V	98.4	Very high	89.5	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.7	169.7	174.9	0	0	0	0	108.5	T45 I54 T76 F77 I96 I99	T45-V52 WeakPolarHBondContact O-CA 3.17Å; V52-I54 HydrophobicContact CG1-CG1 4.33Å; V52-T76 WeakPolarHBondContact O-CA 3.27Å; V52-F77 HydrophobicContact CB-CD1 4.34Å; V52-F77 HydrophobicContact CB-CD2 4.45Å; V52-F77 HydrophobicContact CB-CE1 3.73Å; V52-F77 HydrophobicContact CB-CE2 3.86Å; V52-F77 HydrophobicContact CB-CZ 3.48Å; V52-F77 VanDerWaalsContact CB-CZ 3.48Å; V52-F77 HydrophobicContact CG1-CE1 3.61Å; V52-F77 HydrophobicContact CG1-CE2 4.38Å; V52-F77 HydrophobicContact CG1-CZ 3.52Å; V52-F77 HydrophobicContact CG2-CE2 4.25Å; V52-F77 HydrophobicContact CG2-CZ 4.15Å; V52-F77 PolarHBondContact N-O 2.91Å; V52-F77 PolarHBondContact O-N 2.99Å; V52-I96 HydrophobicContact CG2-CG1 4.32Å; V52-I99 HydrophobicContact CG1-CD1 4Å; V52-I99 HydrophobicContact CG2-CD1 4.02Å
53	V	97.8	Very high	87.4	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127	174.9	-171.9	0	0	0	0	108	T14 L15 A44 T45 F55 V73 T76	T14-V53 HydrophobicContact CG2-CB 4.24Å; T14-V53 HydrophobicContact CG2-CG2 3.97Å; L15-V53 HydrophobicContact CD1-CG2 4.17Å; A44-V53 CarbonylContact C-O 3.55Å; A44-V53 WeakPolarHBondContact CA-O 3.4Å; T45-V53 PolarHBondContact N-O 3.5Å; T45-V53 PolarHBondContact O-N 2.81Å; V53-F55 HydrophobicContact CB-CE2 4.18Å; V53-F55 HydrophobicContact CB-CZ 4.09Å; V53-F55 HydrophobicContact CG1-CD1 4.46Å; V53-F55 HydrophobicContact CG1-CE1 3.73Å; V53-F55 HydrophobicContact CG1-CE2 3.84Å; V53-F55 HydrophobicContact CG1-CZ 3.41Å; V53-F55 VanDerWaalsContact CG1-CZ 3.41Å; V53-V73 HydrophobicContact CG1-CG1 4.37Å; V53-T76 HydrophobicContact CG2-CG2 4.08Å
54	I	97.4	Very high	85.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.3	175.7	-56.4	172.5	0	0	0	107.3	L42 L43 V52 Y74 S75 F77 W101 L111 V124	L42-I54 HydrophobicContact CB-CG2 4.26Å; L42-I54 HydrophobicContact CD1-CG2 4.47Å; L42-I54 HydrophobicContact CD2-CG2 4.21Å; L43-I54 CarbonylContact O-C 3.55Å; L43-I54 WeakPolarHBondContact O-CA 3.24Å; V52-I54 HydrophobicContact CG1-CG1 4.33Å; I54-Y74 HydrophobicContact CB-CD1 4.37Å; I54-Y74 HydrophobicContact CG2-CD1 3.86Å; I54-Y74 WeakPolarHBondContact O-CA 3.44Å; I54-Y74 WeakPolarHBondContact O-CB 3.39Å; I54-Y74 PolarHBondContact O-N 3.29Å; I54-S75 PolarHBondContact N-O 2.83Å; I54-S75 PolarHBondContact O-N 2.86Å; I54-S75 VanDerWaalsContact O-N 3.1Å; I54-F77 HydrophobicContact CD1-CE1 3.92Å; I54-F77 HydrophobicContact CG1-CE1 4.3Å; I54-W101 HydrophobicContact CD1-CH2 4.04Å; I54-W101 HydrophobicContact CG1-CH2 4.35Å; I54-W101 HydrophobicContact CG2-CH2 4.03Å; I54-W101 HydrophobicContact CG2-CZ2 4.29Å; I54-L111 HydrophobicContact CD1-CD2 3.91Å; I54-L111 HydrophobicContact CG1-CD2 4.44Å; I54-V124 HydrophobicContact CD1-CG1 4.24Å; I54-V124 HydrophobicContact CD1-CG2 3.58Å
55	F	95.9	Very high	82.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.4	171.9	-51.5	-84.2	0	0	0	109.7	I12 T14 L42 L43 T45 V53 Y71 N72 V73 L440	I12-F55 HydrophobicContact CB-CE1 4.22Å; I12-F55 HydrophobicContact CB-CZ 4.48Å; I12-F55 HydrophobicContact CD1-CD1 4.24Å; I12-F55 HydrophobicContact CD1-CE1 4.37Å; I12-F55 HydrophobicContact CG2-CD1 3.98Å; I12-F55 HydrophobicContact CG2-CE1 3.2Å; I12-F55 HydrophobicContact CG2-CZ 3.77Å; T14-F55 HydrophobicContact CG2-CZ 3.98Å; L42-F55 CarbonylContact C-O 3.51Å; L42-F55 VanDerWaalsContact CA-O 3.26Å; L42-F55 WeakPolarHBondContact CA-O 3.49Å; L43-F55 HydrophobicContact CB-CB 4.35Å; L43-F55 HydrophobicContact CG-CD2 4.38Å; L43-F55 PolarHBondContact N-O 3.06Å; L43-F55 WeakPolarHBondContact O-CD2 3.28Å; L43-F55 PolarHBondContact O-N 3.28Å; T45-F55 HydrophobicContact CG2-CE2 3.99Å; V53-F55 HydrophobicContact CB-CE2 4.18Å; V53-F55 HydrophobicContact CB-CZ 4.09Å; V53-F55 HydrophobicContact CG1-CD1 4.46Å; V53-F55 HydrophobicContact CG1-CE1 3.73Å; V53-F55 HydrophobicContact CG1-CE2 3.84Å; V53-F55 HydrophobicContact CG1-CZ 3.41Å; V53-F55 VanDerWaalsContact CG1-CZ 3.41Å; F55-Y71 HydrophobicContact CB-CD1 4.19Å; F55-N72 CarbonylContact C-O 3.58Å; F55-N72 WeakPolarHBondContact CA-O 3.42Å; F55-V73 HydrophobicContact CD1-CG2 4.02Å; F55-V73 HydrophobicContact CE1-CG2 3.66Å; F55-L440 HydrophobicContact CD2-CD2 4.06Å; F55-L440 HydrophobicContact CE2-CD2 3.65Å; F55-L440 HydrophobicContact CZ-CD2 4.19Å
56	Q	93.6	Very high	80	Confident	72 Å²	72	62.7 Å²	62.7	34%	0.336	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.7	173.6	-177.6	177.3	47.6	0	0	109.2	E41 L42 Y71 N72 Y74	E41-Q56 WeakPolarHBondContact O-CA 3.48Å; L42-Q56 HydrophobicContact CD2-CB 3.64Å; L42-Q56 HydrophobicContact CD2-CG 3.79Å; Q56-Y71 WeakPolarHBondContact O-CA 3.1Å; Q56-N72 PolarHBondContact N-O 3.05Å; Q56-N72 PolarHBondContact O-N 3.26Å; Q56-Y74 HydrophobicContact CB-CD2 3.71Å; Q56-Y74 HydrophobicContact CB-CG 3.84Å; Q56-Y74 HydrophobicContact CG-CD2 4.28Å; Q56-Y74 VanDerWaalsContact OE1-CE2 3.24Å
57	R	90.6	Very high	77.8	Confident	30 Å²	30	64.6 Å²	64.6	11%	0.113	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.3	173.7	-170.2	176	174.3	-178.2	-2.4	110.1	E41 E60 E70 Y71 E429	E41-R57 PolarHBondContact O-N 3.32Å; R57-E60 IonicContact NH2-OE1 3.21Å; R57-E70 WeakPolarHBondContact CA-O 3.21Å; R57-Y71 HydrophobicContact CB-CD1 4.13Å; R57-Y71 HydrophobicContact CB-CD2 4.48Å; R57-Y71 HydrophobicContact CB-CE1 3.78Å; R57-Y71 HydrophobicContact CB-CE2 4.15Å; R57-Y71 HydrophobicContact CB-CG 4.47Å; R57-Y71 HydrophobicContact CG-CD2 4.46Å; R57-Y71 HydrophobicContact CG-CE2 4.06Å; R57-E429 IonicContact CZ-OE1 3.88Å; R57-E429 IonicContact CZ-OE2 3.56Å; R57-E429 IonicContact NH1-OE1 3.81Å; R57-E429 PolarHBondContact NH1-OE1 3.44Å; R57-E429 IonicContact NH1-OE2 2.91Å; R57-E429 PolarHBondContact NH1-OE2 2.91Å; R57-E429 IonicContact NH2-OE1 2.67Å; R57-E429 IonicContact NH2-OE2 3.64Å; R57-E429 PolarHBondContact NH2-OE2 3.21Å
58	E	85.1	Confident	76.1	Confident	96 Å²	96	66.1 Å²	66.1	45%	0.449	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-62.1	138.7	172.1	-74.5	-166.8	160.7	0	0	111.3	E60 G69 E70 N72	E58-E60 PolarHBondContact O-N 2.96Å; E58-G69 WeakPolarHBondContact O-CA 3.27Å; E58-E70 PolarHBondContact N-O 2.89Å; E58-N72 WeakPolarHBondContact CG-ND2 3.44Å; E58-N72 PolarHBondContact OE1-ND2 3.2Å
59	P	73.4	Confident	74.8	Confident	119 Å²	119	63.1 Å²	63.1	77%	0.773	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-61.2	139.2	172.7	-8.6	18.5	0	0	0	110.3	S61	P59-S61 PolarHBondContact O-N 3.19Å; P59-S61 VanDerWaalsContact O-N 3.1Å
60	E	64.3	Low	74.2	Confident	129 Å²	129	66.9 Å²	66.9	60%	0.603	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-58.7	118.6	177	-69.6	-174.6	163.8	0	0	110.8	R57 E58 K62	R57-E60 IonicContact NH2-OE1 3.21Å; E58-E60 PolarHBondContact O-N 2.96Å; E60-K62 PolarHBondContact O-N 2.77Å
61	S	54.7	Low	73.8	Confident	53 Å²	53	67 Å²	67	37%	0.371	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-72.5	128.8	174.1	81.9	0	0	0	0	109.7	P59 S63 E64	P59-S61 PolarHBondContact O-N 3.19Å; P59-S61 VanDerWaalsContact O-N 3.1Å; S61-S63 PolarHBondContact O-N 3.11Å; S61-S63 PolarHBondContact OG-OG 3.31Å; S61-E64 PolarHBondContact O-N 3.36Å
62	K	53.2	Low	73.4	Confident	222 Å²	222	68.3 Å²	68.3	97%	0.965	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-9.6	176.3	-69.9	-176.7	178.1	178.6	0	114	E60	E60-K62 PolarHBondContact O-N 2.77Å
63	S	51.3	Low	73.1	Confident	95 Å²	95	72.5 Å²	72.5	66%	0.664	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-21.3	-174.1	42.5	0	0	0	0	114.5	S61	S61-S63 PolarHBondContact O-N 3.11Å; S61-S63 PolarHBondContact OG-OG 3.31Å
64	E	49.6	Very low	72.9	Confident	124 Å²	124	73.6 Å²	73.6	58%	0.579	39%	0.385	S	S	*	.			trans	-129.8	104.6	-176.3	-75.7	-72.4	156.8	0	0	109.4	S61 F66 S67	S61-E64 PolarHBondContact O-N 3.36Å; E64-F66 PolarHBondContact O-N 3.06Å; E64-S67 PolarHBondContact O-N 3.1Å
65	P	41.6	Very low	72.8	Confident	110 Å²	110	74.3 Å²	74.3	71%	0.714	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	13.1	-174.5	-2.2	7.5	0	0	0	115.9
66	F	48	Very low	72.8	Confident	150 Å²	150	77.3 Å²	77.3	66%	0.658	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.2	10.4	-170.5	-57.5	-75	0	0	0	114	E64 Q68	E64-F66 PolarHBondContact O-N 3.06Å; F66-Q68 PolarHBondContact O-N 3.09Å
67	S	51.3	Low	72.9	Confident	41 Å²	41	75.1 Å²	75.1	29%	0.287	40%	0.398	S	S	.	.			trans	-98.4	78.5	177.8	-163.2	0	0	0	0	110.2	E64 G69	E64-S67 PolarHBondContact O-N 3.1Å; S67-G69 PolarHBondContact O-N 2.96Å
68	Q	63.4	Low	73.3	Confident	35 Å²	35	77.5 Å²	77.5	16%	0.164	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-60.9	120.5	162.6	-70.1	-178.9	-63.1	0	0	106.8	L8 F66 Q444 L447	L8-Q68 HydrophobicContact CD1-CB 4.21Å; L8-Q68 WeakPolarHBondContact CD1-O 3.37Å; F66-Q68 PolarHBondContact O-N 3.09Å; Q68-Q444 VanDerWaalsContact OE1-NE2 3.14Å; Q68-L447 HydrophobicContact CG-CD1 4.35Å
69	G	68.9	Low	73.9	Confident	2 Å²	2	73 Å²	73	2%	0.021	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-52.9	138.1	-166.2	0	0	0	0	0	114.3	E58 S67	E58-G69 WeakPolarHBondContact O-CA 3.27Å; S67-G69 PolarHBondContact O-N 2.96Å
70	E	84.6	Confident	75.1	Confident	86 Å²	86	67.4 Å²	67.4	40%	0.402	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-72.5	149	172.6	-66.4	-176.8	-176.2	0	0	110.3	R57 E58	R57-E70 WeakPolarHBondContact CA-O 3.21Å; E58-E70 PolarHBondContact N-O 2.89Å
71	Y	89.6	Confident	76.6	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.008	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.1	174.5	-79.7	-96.7	0	0	0	109.1	L8 I12 F36 G40 L43 F55 Q56 R57 H426 I431 I442	L8-Y71 HydrophobicContact CD2-CD2 4.36Å; I12-Y71 WeakPolarHBondContact CD1-O 3.13Å; F36-Y71 AromaticContact CE1-CE1 3.98Å; F36-Y71 HydrophobicContact CE1-CE1 3.98Å; F36-Y71 AromaticContact CE1-CZ 3.79Å; G40-Y71 PolarHBondContact O-OH 3.16Å; L43-Y71 HydrophobicContact CB-CD1 3.93Å; L43-Y71 HydrophobicContact CB-CE1 4.03Å; F55-Y71 HydrophobicContact CB-CD1 4.19Å; Q56-Y71 WeakPolarHBondContact O-CA 3.1Å; R57-Y71 HydrophobicContact CB-CD1 4.13Å; R57-Y71 HydrophobicContact CB-CD2 4.48Å; R57-Y71 HydrophobicContact CB-CE1 3.78Å; R57-Y71 HydrophobicContact CB-CE2 4.15Å; R57-Y71 HydrophobicContact CB-CG 4.47Å; R57-Y71 HydrophobicContact CG-CD2 4.46Å; R57-Y71 HydrophobicContact CG-CE2 4.06Å; Y71-H426 PolarHBondContact OH-CD2 2.98Å; Y71-H426 VanDerWaalsContact OH-CD2 3.29Å; Y71-I431 HydrophobicContact CE2-CG2 4.32Å; Y71-I442 HydrophobicContact CD2-CD1 3.91Å; Y71-I442 HydrophobicContact CD2-CG2 4.39Å; Y71-I442 HydrophobicContact CG-CD1 3.9Å
72	N	89.9	Confident	78.5	Confident	66 Å²	66	68.5 Å²	68.5	35%	0.353	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	153	-178.8	-73.1	-35.7	0	0	0	111.2	F55 Q56 E58 Y74	F55-N72 CarbonylContact C-O 3.58Å; F55-N72 WeakPolarHBondContact CA-O 3.42Å; Q56-N72 PolarHBondContact N-O 3.05Å; Q56-N72 PolarHBondContact O-N 3.26Å; E58-N72 WeakPolarHBondContact CG-ND2 3.44Å; E58-N72 PolarHBondContact OE1-ND2 3.2Å; N72-Y74 PolarHBondContact O-N 3.48Å; N72-Y74 VanDerWaalsContact O-N 3.08Å
73	V	91.8	Very high	80.4	Confident	89 Å²	89	61.7 Å²	61.7	54%	0.539	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	117.7	178.2	178.5	0	0	0	0	109.1	V53 F55	V53-V73 HydrophobicContact CG1-CG1 4.37Å; F55-V73 HydrophobicContact CD1-CG2 4.02Å; F55-V73 HydrophobicContact CE1-CG2 3.66Å
74	Y	93.3	Very high	82.3	Confident	24 Å²	24	61.7 Å²	61.7	9%	0.094	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-40.7	178.8	179.1	-108.7	0	0	0	111.4	L42 I54 Q56 N72 V124 E126 V164	L42-Y74 HydrophobicContact CD2-CD1 4.32Å; I54-Y74 HydrophobicContact CB-CD1 4.37Å; I54-Y74 HydrophobicContact CG2-CD1 3.86Å; I54-Y74 WeakPolarHBondContact O-CA 3.44Å; I54-Y74 WeakPolarHBondContact O-CB 3.39Å; I54-Y74 PolarHBondContact O-N 3.29Å; Q56-Y74 HydrophobicContact CB-CD2 3.71Å; Q56-Y74 HydrophobicContact CB-CG 3.84Å; Q56-Y74 HydrophobicContact CG-CD2 4.28Å; Q56-Y74 VanDerWaalsContact OE1-CE2 3.24Å; N72-Y74 PolarHBondContact O-N 3.48Å; N72-Y74 VanDerWaalsContact O-N 3.08Å; Y74-V124 HydrophobicContact CD1-CG1 4.41Å; Y74-V124 HydrophobicContact CE1-CG1 3.69Å; Y74-E126 WeakPolarHBondContact CE2-OE1 3.3Å; Y74-E126 VanDerWaalsContact OH-CD 3.23Å; Y74-E126 WeakPolarHBondContact OH-CG 3.49Å; Y74-E126 PolarHBondContact OH-OE1 2.88Å; Y74-V164 HydrophobicContact CD1-CG1 4.07Å; Y74-V164 HydrophobicContact CD1-CG2 4.45Å; Y74-V164 HydrophobicContact CD2-CG2 3.96Å; Y74-V164 HydrophobicContact CE1-CB 4.45Å; Y74-V164 HydrophobicContact CE1-CG1 3.54Å; Y74-V164 HydrophobicContact CE1-CG2 4.03Å; Y74-V164 HydrophobicContact CE2-CG2 3.5Å; Y74-V164 VanDerWaalsContact CE2-CG2 3.5Å; Y74-V164 HydrophobicContact CG-CG2 4.43Å
75	S	94.4	Very high	83.9	Confident	15 Å²	15	57.8 Å²	57.8	11%	0.105	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	150.3	175	-163.8	0	0	0	0	111.9	I54 V166	I54-S75 PolarHBondContact N-O 2.83Å; I54-S75 PolarHBondContact O-N 2.86Å; I54-S75 VanDerWaalsContact O-N 3.1Å; S75-V166 WeakPolarHBondContact OG-CG2 3.29Å
76	T	95.8	Very high	86	Confident	64 Å²	64	61.6 Å²	61.6	39%	0.393	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.8	172.5	-59.2	0	0	0	0	108.7	L15 V52 V53	L15-T76 HydrophobicContact CD2-CG2 4.22Å; V52-T76 WeakPolarHBondContact O-CA 3.27Å; V53-T76 HydrophobicContact CG2-CG2 4.08Å
77	F	97.1	Very high	87.8	Confident	25 Å²	25	62.4 Å²	62.4	11%	0.11	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.3	177.8	61.8	-81.8	0	0	0	111.9	R51 V52 I54 S79 L111 W122 V166	R51-F77 WeakPolarHBondContact CA-O 3.3Å; V52-F77 HydrophobicContact CB-CD1 4.34Å; V52-F77 HydrophobicContact CB-CD2 4.45Å; V52-F77 HydrophobicContact CB-CE1 3.73Å; V52-F77 HydrophobicContact CB-CE2 3.86Å; V52-F77 HydrophobicContact CB-CZ 3.48Å; V52-F77 VanDerWaalsContact CB-CZ 3.48Å; V52-F77 HydrophobicContact CG1-CE1 3.61Å; V52-F77 HydrophobicContact CG1-CE2 4.38Å; V52-F77 HydrophobicContact CG1-CZ 3.52Å; V52-F77 HydrophobicContact CG2-CE2 4.25Å; V52-F77 HydrophobicContact CG2-CZ 4.15Å; V52-F77 PolarHBondContact N-O 2.91Å; V52-F77 PolarHBondContact O-N 2.99Å; I54-F77 HydrophobicContact CD1-CE1 3.92Å; I54-F77 HydrophobicContact CG1-CE1 4.3Å; F77-S79 PolarHBondContact O-N 2.63Å; F77-L111 HydrophobicContact CZ-CD1 4.45Å; F77-W122 HydrophobicContact CD2-CD2 4.04Å; F77-W122 AromaticContact CD2-CE3 3.81Å; F77-W122 HydrophobicContact CD2-CE3 3.81Å; F77-W122 HydrophobicContact CD2-CH2 4.01Å; F77-W122 HydrophobicContact CD2-CZ2 4.3Å; F77-W122 AromaticContact CD2-CZ3 3.75Å; F77-W122 HydrophobicContact CD2-CZ3 3.75Å; F77-W122 HydrophobicContact CE2-CB 4.48Å; F77-W122 AromaticContact CE2-CD2 3.41Å; F77-W122 HydrophobicContact CE2-CD2 3.41Å; F77-W122 VanDerWaalsContact CE2-CD2 3.41Å; F77-W122 AromaticContact CE2-CE2 3.67Å; F77-W122 AromaticContact CE2-CE3 3.63Å; F77-W122 HydrophobicContact CE2-CE3 3.63Å; F77-W122 AromaticContact CE2-CG 3.78Å; F77-W122 HydrophobicContact CE2-CG 3.78Å; F77-W122 HydrophobicContact CE2-CH2 4.26Å; F77-W122 HydrophobicContact CE2-CZ2 4.14Å; F77-W122 HydrophobicContact CE2-CZ3 4.02Å; F77-W122 HydrophobicContact CZ-CB 4.42Å; F77-W122 HydrophobicContact CZ-CD2 4.19Å; F77-W122 HydrophobicContact CZ-CE3 4.49Å; F77-W122 HydrophobicContact CZ-CG 4.13Å; F77-V166 HydrophobicContact CB-CB 4.41Å; F77-V166 HydrophobicContact CB-CG1 4.38Å; F77-V166 HydrophobicContact CD1-CB 4.02Å; F77-V166 HydrophobicContact CD1-CG1 3.61Å; F77-V166 HydrophobicContact CD1-CG2 3.9Å; F77-V166 HydrophobicContact CD2-CG1 3.89Å; F77-V166 HydrophobicContact CE1-CB 4.49Å; F77-V166 HydrophobicContact CE1-CG1 3.73Å; F77-V166 HydrophobicContact CE1-CG2 4.27Å; F77-V166 HydrophobicContact CE2-CG1 4Å; F77-V166 HydrophobicContact CG-CB 4.16Å; F77-V166 HydrophobicContact CG-CG1 3.69Å; F77-V166 HydrophobicContact CZ-CG1 3.9Å
78	Q	98	Very high	89.3	Confident	81 Å²	81	66.7 Å²	66.7	38%	0.379	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	113.9	171.3	-167	67.6	42.6	0	0	108.7	G49 G50 R51 H80 E81 W122	G49-Q78 PolarHBondContact O-NE2 2.9Å; G50-Q78 VanDerWaalsContact C-NE2 3.25Å; G50-Q78 PolarHBondContact O-NE2 3.03Å; R51-Q78 VanDerWaalsContact CG-OE1 3.23Å; Q78-H80 PolarHBondContact NE2-O 3.38Å; Q78-E81 HydrophobicContact CG-CG 3.95Å; Q78-W122 WeakPolarHBondContact O-CH2 3Å
79	S	98.1	Very high	90.5	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.014	35%	0.351	C	S	.	.			trans	-86.5	-49.7	179.6	174	0	0	0	0	111.2	G50 F77 S113 K120 W122	G50-S79 WeakPolarHBondContact O-CA 3.12Å; G50-S79 WeakPolarHBondContact O-CB 3.22Å; G50-S79 PolarHBondContact O-N 3.16Å; F77-S79 PolarHBondContact O-N 2.63Å; S79-S113 PolarHBondContact OG-OG 2.95Å; S79-K120 VanDerWaalsContact O-CD 3.28Å; S79-K120 WeakPolarHBondContact O-CD 3.2Å; S79-K120 WeakPolarHBondContact O-CE 3.18Å; S79-K120 PolarHBondContact O-NZ 3.16Å; S79-W122 VanDerWaalsContact CA-CZ2 3.46Å; S79-W122 WeakPolarHBondContact O-CZ2 3.33Å; S79-W122 PolarHBondContact OG-NE1 3.19Å
80	H	98.2	Very high	91.4	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.365	C	S	.	.			trans	-128	149.1	-177.5	-70.6	71.5	0	0	0	109.9	G50 Q78 E94 I96 T118	G50-H80 PolarHBondContact O-N 3.28Å; Q78-H80 PolarHBondContact NE2-O 3.38Å; H80-E94 HydrophobicContact CB-CB 4.23Å; H80-E94 WeakPolarHBondContact CB-O 2.82Å; H80-I96 HydrophobicContact CB-CD1 4.11Å; H80-I96 WeakPolarHBondContact ND1-CD1 3.46Å; H80-T118 PolarHBondContact NE2-O 3.15Å
81	E	96.6	Very high	91.7	Very high	130 Å²	130	74.6 Å²	74.6	61%	0.607	38%	0.376	S	S	*	.			trans	-121.2	156.5	173.5	-68.9	-175.7	158.3	0	0	107.4	Q78 E83	Q78-E81 HydrophobicContact CG-CG 3.95Å; E81-E83 PolarHBondContact O-N 3.2Å
82	P	94.9	Very high	91.8	Very high	76 Å²	76	75.3 Å²	75.3	49%	0.494	38%	0.38	S	S	.	.			trans	-58.1	129.8	177.5	-9	11.5	0	0	0	110.1	E94	P82-E94 WeakPolarHBondContact CG-OE2 2.99Å
83	E	92.7	Very high	92.1	Very high	79 Å²	79	77.2 Å²	77.2	37%	0.369	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	154.8	176.5	-72.1	175.1	-164.6	0	0	109.5	E81 I92	E81-E83 PolarHBondContact O-N 3.2Å; E83-I92 HydrophobicContact CB-CB 4.03Å; E83-I92 HydrophobicContact CB-CD1 4.25Å; E83-I92 PolarHBondContact N-O 3.03Å; E83-I92 WeakPolarHBondContact O-CB 3.32Å; E83-I92 PolarHBondContact O-N 3.5Å
84	F	89.8	Confident	92.3	Very high	94 Å²	94	75.3 Å²	75.3	41%	0.412	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.3	176.9	-166.5	-93.5	0	0	0	110.7	Y86 E91	F84-Y86 AromaticContact CD1-CD1 3.52Å; F84-Y86 HydrophobicContact CD1-CD1 3.52Å; F84-Y86 HydrophobicContact CD1-CD2 4.28Å; F84-Y86 AromaticContact CD1-CE1 3.67Å; F84-Y86 HydrophobicContact CD1-CE1 3.67Å; F84-Y86 HydrophobicContact CD1-CE2 4.41Å; F84-Y86 AromaticContact CD1-CG 3.84Å; F84-Y86 HydrophobicContact CD1-CG 3.84Å; F84-Y86 AromaticContact CE1-CD1 3.79Å; F84-Y86 HydrophobicContact CE1-CD1 3.79Å; F84-Y86 HydrophobicContact CE1-CE1 4.19Å; F84-Y86 HydrophobicContact CE1-CG 4.3Å; F84-Y86 PolarHBondContact O-N 2.83Å; F84-E91 HydrophobicContact CD2-CB 4.04Å; F84-E91 HydrophobicContact CE2-CB 4.29Å
85	D	83.8	Confident	92.5	Very high	42 Å²	42	77 Å²	77	23%	0.225	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	96.5	170.5	-175.5	-22.8	0	0	0	108.8	L87 K88 S89 L90	D85-L87 PolarHBondContact O-N 2.87Å; D85-L87 WeakPolarHBondContact OD1-CB 3.41Å; D85-L87 PolarHBondContact OD1-N 3.3Å; D85-K88 HydrophobicContact CB-CB 4.34Å; D85-K88 PolarHBondContact O-N 3.19Å; D85-K88 PolarHBondContact OD1-N 3.5Å; D85-K88 VanDerWaalsContact OD2-CD 3.26Å; D85-K88 WeakPolarHBondContact OD2-CD 3.27Å; D85-K88 WeakPolarHBondContact OD2-CG 3.49Å; D85-K88 IonicContact OD2-NZ 3.74Å; D85-S89 VanDerWaalsContact O-CA 3.3Å; D85-S89 WeakPolarHBondContact O-CA 3.3Å; D85-S89 PolarHBondContact O-N 3.48Å; D85-L90 HydrophobicContact CB-CB 4.4Å; D85-L90 PolarHBondContact N-O 3.18Å; D85-L90 PolarHBondContact O-N 2.59Å; D85-L90 VanDerWaalsContact O-N 3.1Å
86	Y	86.1	Confident	92.7	Very high	190 Å²	190	76.3 Å²	76.3	75%	0.745	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.8	179.3	-65.7	-80	0	0	0	113.8	F84	F84-Y86 AromaticContact CD1-CD1 3.52Å; F84-Y86 HydrophobicContact CD1-CD1 3.52Å; F84-Y86 HydrophobicContact CD1-CD2 4.28Å; F84-Y86 AromaticContact CD1-CE1 3.67Å; F84-Y86 HydrophobicContact CD1-CE1 3.67Å; F84-Y86 HydrophobicContact CD1-CE2 4.41Å; F84-Y86 AromaticContact CD1-CG 3.84Å; F84-Y86 HydrophobicContact CD1-CG 3.84Å; F84-Y86 AromaticContact CE1-CD1 3.79Å; F84-Y86 HydrophobicContact CE1-CD1 3.79Å; F84-Y86 HydrophobicContact CE1-CE1 4.19Å; F84-Y86 HydrophobicContact CE1-CG 4.3Å; F84-Y86 PolarHBondContact O-N 2.83Å
87	L	85.3	Confident	92.8	Very high	167 Å²	167	74.2 Å²	74.2	87%	0.874	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-35.6	-178.3	-63.8	175.6	0	0	0	111	D85	D85-L87 PolarHBondContact O-N 2.87Å; D85-L87 WeakPolarHBondContact OD1-CB 3.41Å; D85-L87 PolarHBondContact OD1-N 3.3Å
88	K	82.3	Confident	92.9	Very high	131 Å²	131	74.3 Å²	74.3	57%	0.57	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-7	177	-62.6	-177.4	-168.7	160	0	113.6	D85 L90	D85-K88 HydrophobicContact CB-CB 4.34Å; D85-K88 PolarHBondContact O-N 3.19Å; D85-K88 PolarHBondContact OD1-N 3.5Å; D85-K88 VanDerWaalsContact OD2-CD 3.26Å; D85-K88 WeakPolarHBondContact OD2-CD 3.27Å; D85-K88 WeakPolarHBondContact OD2-CG 3.49Å; D85-K88 IonicContact OD2-NZ 3.74Å; K88-L90 HydrophobicContact CB-CB 4.08Å; K88-L90 PolarHBondContact O-N 3.1Å
89	S	88.6	Confident	92.9	Very high	94 Å²	94	70.5 Å²	70.5	66%	0.657	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.9	-170.4	-58.9	0	0	0	0	111.6	D85	D85-S89 VanDerWaalsContact O-CA 3.3Å; D85-S89 WeakPolarHBondContact O-CA 3.3Å; D85-S89 PolarHBondContact O-N 3.48Å
90	L	87.9	Confident	93	Very high	61 Å²	61	71.7 Å²	71.7	32%	0.319	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.8	-175.5	-177.6	69.9	0	0	0	109.5	D85 K88	D85-L90 HydrophobicContact CB-CB 4.4Å; D85-L90 PolarHBondContact N-O 3.18Å; D85-L90 PolarHBondContact O-N 2.59Å; D85-L90 VanDerWaalsContact O-N 3.1Å; K88-L90 HydrophobicContact CB-CB 4.08Å; K88-L90 PolarHBondContact O-N 3.1Å
91	E	91.4	Very high	93	Very high	134 Å²	134	72.2 Å²	72.2	63%	0.626	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.1	167.4	-172.5	168.7	-167.7	0	0	109.6	F84	F84-E91 HydrophobicContact CD2-CB 4.04Å; F84-E91 HydrophobicContact CE2-CB 4.29Å
92	I	92.3	Very high	93	Very high	18 Å²	18	67.1 Å²	67.1	9%	0.092	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	106.4	176.9	-58.6	172.3	0	0	0	106.3	E83 N115 K117	E83-I92 HydrophobicContact CB-CB 4.03Å; E83-I92 HydrophobicContact CB-CD1 4.25Å; E83-I92 PolarHBondContact N-O 3.03Å; E83-I92 WeakPolarHBondContact O-CB 3.32Å; E83-I92 PolarHBondContact O-N 3.5Å; I92-N115 WeakPolarHBondContact CG2-ND2 3.06Å; I92-K117 HydrophobicContact CD1-CB 4.23Å; I92-K117 HydrophobicContact CD1-CG 3.89Å; I92-K117 HydrophobicContact CG1-CG 3.99Å; I92-K117 HydrophobicContact CG2-CB 4.1Å; I92-K117 HydrophobicContact CG2-CG 3.92Å
93	E	95.1	Very high	93	Very high	106 Å²	106	64.8 Å²	64.8	50%	0.495	31%	0.311	S	S	.	.			trans	-60.9	144	177.4	-64	-179.1	-163.2	0	0	111.3	K95 N115	E93-K95 HydrophobicContact CB-CB 4.36Å; E93-K95 PolarHBondContact O-N 3.02Å; E93-N115 PolarHBondContact O-ND2 2.78Å
94	E	97	Very high	92.8	Very high	48 Å²	48	65.4 Å²	65.4	22%	0.224	31%	0.314	C	S	.	.			trans	-76.2	-12.2	174.5	65.3	-89.8	-144.5	0	0	113.4	G50 H80 P82 I96	G50-E94 WeakPolarHBondContact CA-O 3.39Å; H80-E94 HydrophobicContact CB-CB 4.23Å; H80-E94 WeakPolarHBondContact CB-O 2.82Å; P82-E94 WeakPolarHBondContact CG-OE2 2.99Å; E94-I96 PolarHBondContact O-N 2.85Å
95	K	97.9	Very high	92.7	Very high	61 Å²	61	67.6 Å²	67.6	27%	0.265	33%	0.326	S	S	.	.			trans	-46.1	127.6	-179	171.4	-175.8	164.6	-124.3	0	112.2	K48 E93 N97 N115	K48-K95 HydrophobicContact CG-CD 4.19Å; K48-K95 HydrophobicContact CG-CG 4.19Å; K48-K95 VanDerWaalsContact O-CA 3.32Å; K48-K95 WeakPolarHBondContact O-CA 3.4Å; K48-K95 PolarHBondContact O-N 3.21Å; E93-K95 HydrophobicContact CB-CB 4.36Å; E93-K95 PolarHBondContact O-N 3.02Å; K95-N97 PolarHBondContact NZ-OD1 2.89Å; K95-N97 PolarHBondContact O-N 3.32Å; K95-N115 WeakPolarHBondContact O-CA 3.18Å; K95-N115 VanDerWaalsContact O-CB 3.23Å; K95-N115 WeakPolarHBondContact O-CB 3.43Å
96	I	98.6	Very high	93.1	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.336	C	S	.	.			trans	-79.5	112	176.3	-50.9	-55.7	0	0	0	109.4	S32 T33 D47 V52 H80 E94 I99 T114	S32-I96 VanDerWaalsContact CB-O 3.31Å; S32-I96 WeakPolarHBondContact CB-O 3.42Å; S32-I96 PolarHBondContact OG-O 2.81Å; T33-I96 HydrophobicContact CG2-CB 4.4Å; T33-I96 HydrophobicContact CG2-CG2 3.8Å; D47-I96 PolarHBondContact O-N 3.48Å; V52-I96 HydrophobicContact CG2-CG1 4.32Å; H80-I96 HydrophobicContact CB-CD1 4.11Å; H80-I96 WeakPolarHBondContact ND1-CD1 3.46Å; E94-I96 PolarHBondContact O-N 2.85Å; I96-I99 HydrophobicContact CG2-CD1 4.27Å; I96-I99 HydrophobicContact CG2-CG1 3.88Å; I96-T114 CarbonylContact C-O 3.45Å
97	N	98.2	Very high	93.4	Very high	19 Å²	19	64.8 Å²	64.8	10%	0.102	34%	0.336	C	S	.	.			trans	-78.4	-43.1	179.8	-73.8	-18.9	0	0	0	112.7	K95 T114 D116 I180	K95-N97 PolarHBondContact NZ-OD1 2.89Å; K95-N97 PolarHBondContact O-N 3.32Å; N97-T114 HydrophobicContact CB-CG2 4.32Å; N97-T114 PolarHBondContact N-O 3.3Å; N97-D116 PolarHBondContact ND2-N 2.84Å; N97-D116 PolarHBondContact ND2-OD1 2.81Å; N97-I180 PolarHBondContact ND2-O 2.82Å
98	K	98.5	Very high	93.8	Very high	28 Å²	28	57 Å²	57	12%	0.122	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	148.6	-178.5	-66	-64.5	172.4	-178.7	0	111.4	T114 I183 E347	K98-T114 HydrophobicContact CB-CG2 4Å; K98-T114 PolarHBondContact O-N 3.11Å; K98-T114 VanDerWaalsContact O-N 3.13Å; K98-I183 HydrophobicContact CB-CD1 4.19Å; K98-I183 HydrophobicContact CB-CG1 3.75Å; K98-E347 IonicContact NZ-OE1 3.37Å; K98-E347 PolarHBondContact NZ-OE1 2.75Å
99	I	98.7	Very high	94.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.7	168.1	-66.2	169	0	0	0	108.8	T33 E35 A44 V52 I96 L111 L112	T33-I99 HydrophobicContact CG2-CB 4.36Å; T33-I99 HydrophobicContact CG2-CD1 3.8Å; T33-I99 HydrophobicContact CG2-CG1 3.77Å; E35-I99 HydrophobicContact CB-CB 4.41Å; E35-I99 HydrophobicContact CB-CG2 4.39Å; A44-I99 HydrophobicContact CB-CD1 4.17Å; A44-I99 HydrophobicContact CB-CG2 4.11Å; V52-I99 HydrophobicContact CG1-CD1 4Å; V52-I99 HydrophobicContact CG2-CD1 4.02Å; I96-I99 HydrophobicContact CG2-CD1 4.27Å; I96-I99 HydrophobicContact CG2-CG1 3.88Å; I99-L111 HydrophobicContact CG2-CB 4.44Å; I99-L111 HydrophobicContact CG2-CD1 4.32Å; I99-L112 CarbonylContact C-O 3.58Å; I99-L112 VanDerWaalsContact CA-O 3.31Å; I99-L112 WeakPolarHBondContact CA-O 3.37Å
100	R	98.4	Very high	95	Very high	28 Å²	28	48.5 Å²	48.5	11%	0.106	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	125.2	171.5	-69.9	-69	175.1	-110	9.1	110.3	E35 L111 L112 I183 V185	E35-R100 WeakPolarHBondContact OE1-CD 3.39Å; E35-R100 IonicContact OE1-CZ 3.29Å; E35-R100 IonicContact OE1-NE 3.86Å; E35-R100 IonicContact OE1-NH1 3.12Å; E35-R100 PolarHBondContact OE1-NH1 2.86Å; E35-R100 IonicContact OE2-CZ 2.64Å; E35-R100 IonicContact OE2-NH1 3.16Å; E35-R100 PolarHBondContact OE2-NH1 2.92Å; R100-L111 CarbonylContact O-C 3.56Å; R100-L111 WeakPolarHBondContact O-CA 3.47Å; R100-L112 PolarHBondContact N-O 2.88Å; R100-L112 PolarHBondContact O-N 3.23Å; R100-I183 HydrophobicContact CB-CD1 4.19Å; R100-I183 HydrophobicContact CG-CD1 4.04Å; R100-I183 HydrophobicContact CG-CG1 3.85Å; R100-I183 WeakPolarHBondContact CG-O 3.48Å; R100-I183 PolarHBondContact NE-O 2.86Å; R100-V185 HydrophobicContact CB-CG2 4.29Å
101	W	98.3	Very high	95.4	Very high	10 Å²	10	45.6 Å²	45.6	4%	0.038	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	145.9	173.3	-68.1	93.6	0	0	0	110.5	E35 F36 N37 H38 L42 A44 I54 H109 L111	E35-W101 PolarHBondContact O-NE1 2.82Å; F36-W101 VanDerWaalsContact C-CD1 3.46Å; N37-W101 VanDerWaalsContact CA-CD1 3.44Å; N37-W101 HydrophobicContact CB-CB 4.27Å; N37-W101 HydrophobicContact CB-CD2 3.59Å; N37-W101 HydrophobicContact CB-CE3 4.08Å; N37-W101 HydrophobicContact CB-CG 3.68Å; N37-W101 HydrophobicContact CB-CZ2 4.32Å; H38-W101 PolarHBondContact CE1-O 2.78Å; H38-W101 VanDerWaalsContact CE1-O 3.3Å; L42-W101 HydrophobicContact CB-CH2 4.02Å; L42-W101 HydrophobicContact CB-CZ2 3.95Å; L42-W101 HydrophobicContact CD1-CH2 3.73Å; L42-W101 HydrophobicContact CD1-CZ2 4.49Å; L42-W101 HydrophobicContact CD1-CZ3 4.03Å; A44-W101 HydrophobicContact CB-CZ2 3.7Å; I54-W101 HydrophobicContact CD1-CH2 4.04Å; I54-W101 HydrophobicContact CG1-CH2 4.35Å; I54-W101 HydrophobicContact CG2-CH2 4.03Å; I54-W101 HydrophobicContact CG2-CZ2 4.29Å; W101-H109 HydrophobicContact CE3-CB 4.42Å; W101-H109 HydrophobicContact CZ3-CB 3.8Å; W101-L111 HydrophobicContact CD2-CB 4.09Å; W101-L111 HydrophobicContact CE3-CB 3.86Å; W101-L111 HydrophobicContact CE3-CD2 4.25Å; W101-L111 HydrophobicContact CH2-CD2 3.76Å; W101-L111 HydrophobicContact CZ2-CD2 4.1Å; W101-L111 HydrophobicContact CZ3-CB 4.23Å; W101-L111 HydrophobicContact CZ3-CD2 3.82Å
102	L	97.7	Very high	95.8	Very high	23 Å²	23	39.2 Å²	39.2	12%	0.12	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-88.5	151	164.2	-73.8	72.5	0	0	0	108.9	H38 Q104 F110 L112 L121 L205	H38-L102 VanDerWaalsContact CE1-C 3.41Å; H38-L102 PolarHBondContact ND1-O 2.8Å; L102-Q104 PolarHBondContact O-N 2.94Å; L102-F110 HydrophobicContact CB-CB 4.02Å; L102-F110 HydrophobicContact CD1-CB 4.2Å; L102-F110 HydrophobicContact CD2-CB 4.13Å; L102-F110 HydrophobicContact CG-CB 4.36Å; L102-F110 PolarHBondContact N-O 2.79Å; L102-L112 HydrophobicContact CD1-CD1 4.45Å; L102-L112 HydrophobicContact CD1-CG 3.89Å; L102-L121 HydrophobicContact CD1-CD1 3.68Å; L102-L121 HydrophobicContact CD2-CD1 3.93Å; L102-L205 HydrophobicContact CD2-CD1 3.74Å; L102-L205 HydrophobicContact CD2-CD2 3.95Å; L102-L205 HydrophobicContact CD2-CG 4.49Å
103	P	93.6	Very high	96.1	Very high	27 Å²	27	38.3 Å²	38.3	18%	0.175	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-57.1	137.9	169.2	-25.3	35.5	0	0	0	111.3	Q105 Y189	P103-Q105 PolarHBondContact O-N 2.86Å; P103-Y189 HydrophobicContact CB-CD1 3.78Å; P103-Y189 HydrophobicContact CB-CE1 3.33Å; P103-Y189 HydrophobicContact CG-CD1 3.78Å; P103-Y189 HydrophobicContact CG-CE1 3.49Å; P103-Y189 VanDerWaalsContact CG-CE1 3.49Å
104	Q	90.1	Very high	96.3	Very high	93 Å²	93	33.3 Å²	33.3	44%	0.435	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-70.9	121.4	-177	-174.2	173.8	1.2	0	0	111	L102 N106 H109	L102-Q104 PolarHBondContact O-N 2.94Å; Q104-N106 WeakPolarHBondContact CG-O 3.44Å; Q104-N106 PolarHBondContact NE2-O 3Å; Q104-H109 VanDerWaalsContact CD-CE1 3.49Å; Q104-H109 PolarHBondContact NE2-CE1 2.9Å; Q104-H109 PolarHBondContact OE1-CE1 2.86Å; Q104-H109 VanDerWaalsContact OE1-CE1 3.28Å
105	Q	87.1	Confident	96.3	Very high	140 Å²	140	31 Å²	31	65%	0.654	16%	0.164	S	C	*	.			trans	-104	-20.4	178.3	-67.1	-177.1	-18.4	0	0	113.4	P103	P103-Q105 PolarHBondContact O-N 2.86Å
106	N	91.6	Very high	96.3	Very high	81 Å²	81	29.3 Å²	29.3	43%	0.433	16%	0.158	S	C	.	.	S	Bend	trans	-153.5	-169.5	-179.1	56.4	63.9	0	0	0	109.7	Q104 A108	Q104-N106 WeakPolarHBondContact CG-O 3.44Å; Q104-N106 PolarHBondContact NE2-O 3Å; N106-A108 PolarHBondContact O-N 2.98Å; N106-A108 VanDerWaalsContact O-N 3.13Å; N106-A108 WeakPolarHBondContact OD1-CA 3.36Å; N106-A108 VanDerWaalsContact OD1-CB 3.28Å; N106-A108 WeakPolarHBondContact OD1-CB 3.41Å; N106-A108 PolarHBondContact OD1-N 2.87Å
107	A	92.4	Very high	96.1	Very high	91 Å²	91	30.5 Å²	30.5	75%	0.752	16%	0.163	S	C	*	.	S	Bend	trans	-61.9	-19	-179.9	0	0	0	0	0	114
108	A	94.8	Very high	96.1	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.033	16%	0.16	C	C	.	.	S	Bend	trans	-89.3	147.1	175.6	0	0	0	0	0	111.8	N106 F110 K123 V124	N106-A108 PolarHBondContact O-N 2.98Å; N106-A108 VanDerWaalsContact O-N 3.13Å; N106-A108 WeakPolarHBondContact OD1-CA 3.36Å; N106-A108 VanDerWaalsContact OD1-CB 3.28Å; N106-A108 WeakPolarHBondContact OD1-CB 3.41Å; N106-A108 PolarHBondContact OD1-N 2.87Å; A108-F110 HydrophobicContact CB-CE2 3.98Å; A108-F110 HydrophobicContact CB-CZ 4.25Å; A108-K123 HydrophobicContact CB-CD 4.17Å; A108-K123 HydrophobicContact CB-CG 3.97Å; A108-V124 CarbonylContact C-O 3.59Å; A108-V124 WeakPolarHBondContact CA-O 3.42Å; A108-V124 WeakPolarHBondContact CB-O 3.45Å
109	H	96.7	Very high	96.1	Very high	23 Å²	23	28.5 Å²	28.5	11%	0.106	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	150.7	171.4	-55.5	-78.5	0	0	0	110.5	L42 W101 Q104 V124	L42-H109 HydrophobicContact CD1-CB 4.29Å; W101-H109 HydrophobicContact CE3-CB 4.42Å; W101-H109 HydrophobicContact CZ3-CB 3.8Å; Q104-H109 VanDerWaalsContact CD-CE1 3.49Å; Q104-H109 PolarHBondContact NE2-CE1 2.9Å; Q104-H109 PolarHBondContact OE1-CE1 2.86Å; Q104-H109 VanDerWaalsContact OE1-CE1 3.28Å; H109-V124 HydrophobicContact CB-CB 4.32Å; H109-V124 PolarHBondContact N-O 3.28Å; H109-V124 PolarHBondContact O-N 3.26Å
110	F	97.9	Very high	96.1	Very high	23 Å²	23	30 Å²	30	10%	0.101	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.3	179.6	-63.6	-95.2	0	0	0	109.8	L102 A108 L121 W122 K123 R169	L102-F110 HydrophobicContact CB-CB 4.02Å; L102-F110 HydrophobicContact CD1-CB 4.2Å; L102-F110 HydrophobicContact CD2-CB 4.13Å; L102-F110 HydrophobicContact CG-CB 4.36Å; L102-F110 PolarHBondContact N-O 2.79Å; A108-F110 HydrophobicContact CB-CE2 3.98Å; A108-F110 HydrophobicContact CB-CZ 4.25Å; F110-L121 HydrophobicContact CB-CD1 4.26Å; F110-W122 VanDerWaalsContact CA-O 3.27Å; F110-W122 WeakPolarHBondContact CA-O 3.4Å; F110-K123 HydrophobicContact CD1-CB 3.91Å; F110-K123 HydrophobicContact CD1-CG 4.26Å; F110-K123 HydrophobicContact CE1-CB 3.62Å; F110-K123 HydrophobicContact CE1-CD 3.92Å; F110-K123 HydrophobicContact CE1-CG 3.69Å; F110-K123 HydrophobicContact CZ-CB 4.37Å; F110-K123 HydrophobicContact CZ-CD 3.93Å; F110-K123 HydrophobicContact CZ-CG 3.92Å; F110-R169 HydrophobicContact CE1-CG 4.37Å
111	L	98.3	Very high	96.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.1	175.3	65.5	86.9	0	0	0	110.6	I54 F77 I99 R100 W101 W122 V124	I54-L111 HydrophobicContact CD1-CD2 3.91Å; I54-L111 HydrophobicContact CG1-CD2 4.44Å; F77-L111 HydrophobicContact CZ-CD1 4.45Å; I99-L111 HydrophobicContact CG2-CB 4.44Å; I99-L111 HydrophobicContact CG2-CD1 4.32Å; R100-L111 CarbonylContact O-C 3.56Å; R100-L111 WeakPolarHBondContact O-CA 3.47Å; W101-L111 HydrophobicContact CD2-CB 4.09Å; W101-L111 HydrophobicContact CE3-CB 3.86Å; W101-L111 HydrophobicContact CE3-CD2 4.25Å; W101-L111 HydrophobicContact CH2-CD2 3.76Å; W101-L111 HydrophobicContact CZ2-CD2 4.1Å; W101-L111 HydrophobicContact CZ3-CB 4.23Å; W101-L111 HydrophobicContact CZ3-CD2 3.82Å; L111-W122 HydrophobicContact CD1-CB 4.01Å; L111-W122 HydrophobicContact CD1-CG 4.19Å; L111-W122 HydrophobicContact CG-CB 4.13Å; L111-W122 PolarHBondContact N-O 2.83Å; L111-W122 VanDerWaalsContact N-O 3.16Å; L111-W122 PolarHBondContact O-N 2.99Å; L111-V124 HydrophobicContact CD2-CG2 4.49Å
112	L	98.8	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.5	165.3	-65.7	170.4	0	0	0	108.8	I99 R100 L102 I119 K120 L121 F172 I183 V185 Y192	I99-L112 CarbonylContact C-O 3.58Å; I99-L112 VanDerWaalsContact CA-O 3.31Å; I99-L112 WeakPolarHBondContact CA-O 3.37Å; R100-L112 PolarHBondContact N-O 2.88Å; R100-L112 PolarHBondContact O-N 3.23Å; L102-L112 HydrophobicContact CD1-CD1 4.45Å; L102-L112 HydrophobicContact CD1-CG 3.89Å; L112-I119 HydrophobicContact CB-CG2 4.21Å; L112-I119 HydrophobicContact CD2-CG2 3.96Å; L112-K120 WeakPolarHBondContact CA-O 3.49Å; L112-L121 HydrophobicContact CD2-CB 3.94Å; L112-L121 HydrophobicContact CD2-CD1 3.87Å; L112-L121 HydrophobicContact CG-CD1 4.42Å; L112-F172 HydrophobicContact CD2-CE2 4.24Å; L112-I183 HydrophobicContact CB-CD1 3.84Å; L112-V185 HydrophobicContact CD1-CG2 4.01Å; L112-Y192 HydrophobicContact CD1-CD1 4.1Å; L112-Y192 HydrophobicContact CD1-CD2 3.76Å; L112-Y192 HydrophobicContact CD1-CE1 4.43Å; L112-Y192 HydrophobicContact CD1-CE2 4.16Å; L112-Y192 HydrophobicContact CD1-CG 3.74Å
113	S	98.8	Very high	96.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.9	165.7	62.3	0	0	0	0	109.4	S79 I119 K120 W122	S79-S113 PolarHBondContact OG-OG 2.95Å; S113-I119 CarbonylContact O-C 3.58Å; S113-I119 WeakPolarHBondContact O-CA 3.42Å; S113-K120 PolarHBondContact N-O 2.84Å; S113-K120 PolarHBondContact O-N 2.9Å; S113-W122 PolarHBondContact OG-NE1 2.77Å
114	T	98.7	Very high	96.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.8	177.8	-169.4	0	0	0	0	111.3	I96 N97 K98 T118 I180 I183	I96-T114 CarbonylContact C-O 3.45Å; N97-T114 HydrophobicContact CB-CG2 4.32Å; N97-T114 PolarHBondContact N-O 3.3Å; K98-T114 HydrophobicContact CB-CG2 4Å; K98-T114 PolarHBondContact O-N 3.11Å; K98-T114 VanDerWaalsContact O-N 3.13Å; T114-T118 WeakPolarHBondContact CA-O 3.5Å; T114-T118 PolarHBondContact OG1-O 3.46Å; T114-I180 HydrophobicContact CG2-CG2 4.03Å; T114-I183 HydrophobicContact CG2-CD1 3.96Å; T114-I183 HydrophobicContact CG2-CG1 4.03Å; T114-I183 HydrophobicContact CG2-CG2 3.94Å
115	N	98.1	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.			trans	-101.4	-156.6	157.5	71.8	-10.8	0	0	0	108.8	I92 E93 K95 K117 T118	I92-N115 WeakPolarHBondContact CG2-ND2 3.06Å; E93-N115 PolarHBondContact O-ND2 2.78Å; K95-N115 WeakPolarHBondContact O-CA 3.18Å; K95-N115 VanDerWaalsContact O-CB 3.23Å; K95-N115 WeakPolarHBondContact O-CB 3.43Å; N115-K117 VanDerWaalsContact C-N 3.27Å; N115-K117 PolarHBondContact O-N 3.11Å; N115-K117 PolarHBondContact OD1-N 2.96Å; N115-K117 VanDerWaalsContact OD1-N 3.14Å; N115-T118 PolarHBondContact N-O 2.82Å; N115-T118 PolarHBondContact OD1-N 2.81Å; N115-T118 PolarHBondContact OD1-O 3.19Å
116	D	96.8	Very high	96.8	Very high	26 Å²	26	23.5 Å²	23.5	14%	0.139	13%	0.13	C	C	.	.	S	Bend	trans	-66.1	-21.2	-178.1	-79.1	-6.1	0	0	0	115.4	N97 H179 I180	N97-D116 PolarHBondContact ND2-N 2.84Å; N97-D116 PolarHBondContact ND2-OD1 2.81Å; D116-H179 HydrophobicContact CB-CB 4.45Å; D116-H179 IonicContact OD1-ND1 4Å; D116-H179 IonicContact OD2-CE1 2.82Å; D116-H179 PolarHBondContact OD2-CE1 3.21Å; D116-H179 IonicContact OD2-CG 3.74Å; D116-H179 IonicContact OD2-ND1 3.97Å; D116-H179 PolarHBondContact OD2-ND1 3.27Å; D116-I180 WeakPolarHBondContact O-CG1 3.44Å; D116-I180 PolarHBondContact O-N 2.88Å
117	K	95.9	Very high	96.8	Very high	24 Å²	24	24.1 Å²	24.1	10%	0.104	13%	0.126	C	C	.	.	S	Bend	trans	-132.4	-24.7	-170.3	-61.8	-62.4	174.8	-160.5	0	115.2	I92 N115 T177 Y178	I92-K117 HydrophobicContact CD1-CB 4.23Å; I92-K117 HydrophobicContact CD1-CG 3.89Å; I92-K117 HydrophobicContact CG1-CG 3.99Å; I92-K117 HydrophobicContact CG2-CB 4.1Å; I92-K117 HydrophobicContact CG2-CG 3.92Å; N115-K117 VanDerWaalsContact C-N 3.27Å; N115-K117 PolarHBondContact O-N 3.11Å; N115-K117 PolarHBondContact OD1-N 2.96Å; N115-K117 VanDerWaalsContact OD1-N 3.14Å; K117-T177 PolarHBondContact NZ-O 2.95Å; K117-Y178 PolarHBondContact NZ-O 3.31Å
118	T	96.8	Very high	96.7	Very high	6 Å²	6	23.6 Å²	23.6	4%	0.037	11%	0.111	C	C	.	.			trans	-132.7	128.3	-167.5	-60.5	0	0	0	0	111.1	H80 T114 N115 K120 V171 A173	H80-T118 PolarHBondContact NE2-O 3.15Å; T114-T118 WeakPolarHBondContact CA-O 3.5Å; T114-T118 PolarHBondContact OG1-O 3.46Å; N115-T118 PolarHBondContact N-O 2.82Å; N115-T118 PolarHBondContact OD1-N 2.81Å; N115-T118 PolarHBondContact OD1-O 3.19Å; T118-K120 HydrophobicContact CG2-CG 4.26Å; T118-V171 HydrophobicContact CG2-CG1 3.47Å; T118-V171 VanDerWaalsContact CG2-CG1 3.47Å; T118-A173 HydrophobicContact CG2-CB 4.13Å
119	I	98.7	Very high	96.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.1	171	-48.9	87.5	0	0	0	108.7	L112 S113 F172 I180 I183 Y192 W203	L112-I119 HydrophobicContact CB-CG2 4.21Å; L112-I119 HydrophobicContact CD2-CG2 3.96Å; S113-I119 CarbonylContact O-C 3.58Å; S113-I119 WeakPolarHBondContact O-CA 3.42Å; I119-F172 HydrophobicContact CB-CB 4.21Å; I119-F172 HydrophobicContact CB-CD2 4.3Å; I119-F172 HydrophobicContact CD1-CB 4.43Å; I119-F172 HydrophobicContact CG2-CD2 4.42Å; I119-F172 PolarHBondContact N-O 2.65Å; I119-F172 PolarHBondContact O-N 3.39Å; I119-I180 HydrophobicContact CD1-CD1 3.68Å; I119-I180 HydrophobicContact CG1-CD1 4.29Å; I119-I183 HydrophobicContact CG1-CG2 3.99Å; I119-I183 HydrophobicContact CG2-CG2 4.47Å; I119-Y192 HydrophobicContact CG2-CE2 4.26Å; I119-W203 HydrophobicContact CD1-CZ2 4.37Å
120	K	98.7	Very high	96.2	Very high	32 Å²	32	33 Å²	33	14%	0.139	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.1	175.1	-63.8	-176.9	-174.6	177.4	0	110.3	S79 L112 S113 T118 W122 R170 V171	S79-K120 VanDerWaalsContact O-CD 3.28Å; S79-K120 WeakPolarHBondContact O-CD 3.2Å; S79-K120 WeakPolarHBondContact O-CE 3.18Å; S79-K120 PolarHBondContact O-NZ 3.16Å; L112-K120 WeakPolarHBondContact CA-O 3.49Å; S113-K120 PolarHBondContact N-O 2.84Å; S113-K120 PolarHBondContact O-N 2.9Å; T118-K120 HydrophobicContact CG2-CG 4.26Å; K120-W122 HydrophobicContact CB-CZ2 4.33Å; K120-W122 HydrophobicContact CD-CZ2 3.81Å; K120-R170 WeakPolarHBondContact CA-O 3.26Å; K120-V171 HydrophobicContact CG-CG1 4.27Å; K120-V171 HydrophobicContact CG-CG2 4.21Å
121	L	98.6	Very high	95.8	Very high	11 Å²	11	34.7 Å²	34.7	6%	0.058	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.1	169.5	178.3	66.2	0	0	0	108.9	L102 F110 L112 R169 R170 F172	L102-L121 HydrophobicContact CD1-CD1 3.68Å; L102-L121 HydrophobicContact CD2-CD1 3.93Å; F110-L121 HydrophobicContact CB-CD1 4.26Å; L112-L121 HydrophobicContact CD2-CB 3.94Å; L112-L121 HydrophobicContact CD2-CD1 3.87Å; L112-L121 HydrophobicContact CG-CD1 4.42Å; L121-R169 HydrophobicContact CB-CB 4.46Å; L121-R169 HydrophobicContact CD2-CB 4.15Å; L121-R169 HydrophobicContact CG-CB 4.17Å; L121-R169 WeakPolarHBondContact O-CB 3.41Å; L121-R169 PolarHBondContact O-N 3.12Å; L121-R170 HydrophobicContact CB-CB 4.04Å; L121-R170 HydrophobicContact CD2-CB 4.48Å; L121-R170 HydrophobicContact CD2-CG 4.32Å; L121-R170 PolarHBondContact N-O 3.01Å; L121-R170 PolarHBondContact O-N 3.12Å; L121-F172 HydrophobicContact CB-CE2 4.08Å
122	W	98.4	Very high	95.3	Very high	16 Å²	16	36.1 Å²	36.1	6%	0.061	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.6	178.8	-64.4	91.7	0	0	0	110.6	F77 Q78 S79 F110 L111 S113 K120 V166 P168	F77-W122 HydrophobicContact CD2-CD2 4.04Å; F77-W122 AromaticContact CD2-CE3 3.81Å; F77-W122 HydrophobicContact CD2-CE3 3.81Å; F77-W122 HydrophobicContact CD2-CH2 4.01Å; F77-W122 HydrophobicContact CD2-CZ2 4.3Å; F77-W122 AromaticContact CD2-CZ3 3.75Å; F77-W122 HydrophobicContact CD2-CZ3 3.75Å; F77-W122 HydrophobicContact CE2-CB 4.48Å; F77-W122 AromaticContact CE2-CD2 3.41Å; F77-W122 HydrophobicContact CE2-CD2 3.41Å; F77-W122 VanDerWaalsContact CE2-CD2 3.41Å; F77-W122 AromaticContact CE2-CE2 3.67Å; F77-W122 AromaticContact CE2-CE3 3.63Å; F77-W122 HydrophobicContact CE2-CE3 3.63Å; F77-W122 AromaticContact CE2-CG 3.78Å; F77-W122 HydrophobicContact CE2-CG 3.78Å; F77-W122 HydrophobicContact CE2-CH2 4.26Å; F77-W122 HydrophobicContact CE2-CZ2 4.14Å; F77-W122 HydrophobicContact CE2-CZ3 4.02Å; F77-W122 HydrophobicContact CZ-CB 4.42Å; F77-W122 HydrophobicContact CZ-CD2 4.19Å; F77-W122 HydrophobicContact CZ-CE3 4.49Å; F77-W122 HydrophobicContact CZ-CG 4.13Å; Q78-W122 WeakPolarHBondContact O-CH2 3Å; S79-W122 VanDerWaalsContact CA-CZ2 3.46Å; S79-W122 WeakPolarHBondContact O-CZ2 3.33Å; S79-W122 PolarHBondContact OG-NE1 3.19Å; F110-W122 VanDerWaalsContact CA-O 3.27Å; F110-W122 WeakPolarHBondContact CA-O 3.4Å; L111-W122 HydrophobicContact CD1-CB 4.01Å; L111-W122 HydrophobicContact CD1-CG 4.19Å; L111-W122 HydrophobicContact CG-CB 4.13Å; L111-W122 PolarHBondContact N-O 2.83Å; L111-W122 VanDerWaalsContact N-O 3.16Å; L111-W122 PolarHBondContact O-N 2.99Å; S113-W122 PolarHBondContact OG-NE1 2.77Å; K120-W122 HydrophobicContact CB-CZ2 4.33Å; K120-W122 HydrophobicContact CD-CZ2 3.81Å; W122-V166 HydrophobicContact CB-CG1 4.5Å; W122-V166 HydrophobicContact CD2-CG1 4.5Å; W122-V166 HydrophobicContact CE3-CG1 3.71Å; W122-V166 HydrophobicContact CZ3-CG1 4.35Å; W122-P168 HydrophobicContact CD2-CB 4.42Å; W122-P168 HydrophobicContact CE3-CB 3.95Å; W122-P168 HydrophobicContact CH2-CB 3.82Å; W122-P168 HydrophobicContact CH2-CG 4.18Å; W122-P168 HydrophobicContact CZ2-CB 4.22Å; W122-P168 HydrophobicContact CZ3-CB 3.68Å; W122-P168 HydrophobicContact CZ3-CG 3.93Å
123	K	97.6	Very high	94.7	Very high	44 Å²	44	37.6 Å²	37.6	19%	0.191	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.4	166.8	176.5	179.9	172.4	-166	0	109.2	A108 F110 V166 S167 R169	A108-K123 HydrophobicContact CB-CD 4.17Å; A108-K123 HydrophobicContact CB-CG 3.97Å; F110-K123 HydrophobicContact CD1-CB 3.91Å; F110-K123 HydrophobicContact CD1-CG 4.26Å; F110-K123 HydrophobicContact CE1-CB 3.62Å; F110-K123 HydrophobicContact CE1-CD 3.92Å; F110-K123 HydrophobicContact CE1-CG 3.69Å; F110-K123 HydrophobicContact CZ-CB 4.37Å; F110-K123 HydrophobicContact CZ-CD 3.93Å; F110-K123 HydrophobicContact CZ-CG 3.92Å; K123-V166 CarbonylContact O-C 3.55Å; K123-V166 WeakPolarHBondContact O-CA 3.45Å; K123-S167 PolarHBondContact N-O 2.96Å; K123-S167 PolarHBondContact O-N 3.14Å; K123-R169 HydrophobicContact CB-CG 3.62Å
124	V	97	Very high	94.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.2	173.5	-173.4	0	0	0	0	107.4	I54 Y74 A108 H109 L111 V164 V166	I54-V124 HydrophobicContact CD1-CG1 4.24Å; I54-V124 HydrophobicContact CD1-CG2 3.58Å; Y74-V124 HydrophobicContact CD1-CG1 4.41Å; Y74-V124 HydrophobicContact CE1-CG1 3.69Å; A108-V124 CarbonylContact C-O 3.59Å; A108-V124 WeakPolarHBondContact CA-O 3.42Å; A108-V124 WeakPolarHBondContact CB-O 3.45Å; H109-V124 HydrophobicContact CB-CB 4.32Å; H109-V124 PolarHBondContact N-O 3.28Å; H109-V124 PolarHBondContact O-N 3.26Å; L111-V124 HydrophobicContact CD2-CG2 4.49Å; V124-V164 HydrophobicContact CG1-CG1 3.75Å; V124-V166 HydrophobicContact CB-CG2 4.44Å; V124-V166 HydrophobicContact CG1-CG2 4.1Å; V124-V166 HydrophobicContact CG2-CG1 4.33Å; V124-V166 HydrophobicContact CG2-CG2 4.1Å
125	S	95	Very high	93.7	Very high	22 Å²	22	45.2 Å²	45.2	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.4	-180	48	0	0	0	0	112.5	E165	S125-E165 PolarHBondContact N-O 2.86Å; S125-E165 PolarHBondContact O-N 3.04Å
126	E	93.3	Very high	93.2	Very high	91 Å²	91	50 Å²	50	43%	0.425	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.4	173.6	-65.1	-177.1	179.5	0	0	111.4	Y74 L162	Y74-E126 WeakPolarHBondContact CE2-OE1 3.3Å; Y74-E126 VanDerWaalsContact OH-CD 3.23Å; Y74-E126 WeakPolarHBondContact OH-CG 3.49Å; Y74-E126 PolarHBondContact OH-OE1 2.88Å; E126-L162 HydrophobicContact CB-CD1 3.85Å; E126-L162 HydrophobicContact CG-CD1 4.29Å
127	R	90.8	Very high	92.6	Very high	93 Å²	93	53.9 Å²	53.9	35%	0.351	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.4	173.6	-168.5	174.3	80.1	-158.3	0.5	110	K129 M163 E165	R127-K129 WeakPolarHBondContact CD-O 3.32Å; R127-K129 VanDerWaalsContact CG-O 3.27Å; R127-K129 WeakPolarHBondContact CG-O 3.32Å; R127-M163 PolarHBondContact N-O 3.23Å; R127-M163 PolarHBondContact O-N 2.88Å; R127-E165 IonicContact CZ-OE1 3.8Å; R127-E165 IonicContact CZ-OE2 3.95Å; R127-E165 IonicContact NE-OE1 2.96Å; R127-E165 IonicContact NH1-OE1 3.2Å; R127-E165 PolarHBondContact NH1-OE1 3.15Å; R127-E165 IonicContact NH1-OE2 3.13Å; R127-E165 PolarHBondContact NH1-OE2 3.14Å; R127-E165 VanDerWaalsContact NH1-OE2 3.16Å; R127-E165 IonicContact NH2-OE1 2.85Å; R127-E165 PolarHBondContact NH2-OE1 3.2Å
128	D	91.9	Very high	91.8	Very high	80 Å²	80	55 Å²	55	43%	0.428	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	3.2	179.3	71	-28.7	0	0	0	112.5	P159 M160 L162	D128-P159 CarbonylContact O-C 3.5Å; D128-P159 WeakPolarHBondContact O-CA 3.36Å; D128-M160 PolarHBondContact O-N 3.15Å; D128-L162 HydrophobicContact CB-CD1 4.3Å
129	K	91.2	Very high	90.7	Very high	99 Å²	99	61.9 Å²	61.9	43%	0.43	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.8	-177.2	-68.8	167.8	-163.7	172.7	0	111.8	R127 L157 K158	R127-K129 WeakPolarHBondContact CD-O 3.32Å; R127-K129 VanDerWaalsContact CG-O 3.27Å; R127-K129 WeakPolarHBondContact CG-O 3.32Å; K129-L157 HydrophobicContact CB-CB 4.43Å; K129-K158 CarbonylContact C-O 3.57Å; K129-K158 VanDerWaalsContact CA-O 3.28Å; K129-K158 WeakPolarHBondContact CA-O 3.39Å
130	R	89.8	Confident	89.8	Confident	125 Å²	125	68.5 Å²	68.5	47%	0.472	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.2	172.8	65.3	-175.2	-169.5	-169.4	2.5	112.1	E132 L157 K158 M160	R130-E132 HydrophobicContact CG-CG 4.33Å; R130-E132 IonicContact CZ-OE1 3.92Å; R130-E132 IonicContact NE-OE1 3.06Å; R130-E132 PolarHBondContact NE-OE1 3.25Å; R130-E132 IonicContact NH2-OE1 2.76Å; R130-E132 PolarHBondContact NH2-OE1 3.07Å; R130-L157 WeakPolarHBondContact O-CA 3.46Å; R130-K158 PolarHBondContact N-O 3.32Å; R130-K158 PolarHBondContact O-N 2.79Å; R130-M160 HydrophobicContact CB-CG 4.47Å; R130-M160 HydrophobicContact CB-SD 3.73Å; R130-M160 HydrophobicContact CG-CB 4.23Å; R130-M160 HydrophobicContact CG-SD 4.29Å
131	P	89.7	Confident	88.9	Confident	59 Å²	59	69 Å²	69	38%	0.383	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.8	172.7	29.3	-33.6	0	0	0	111	Y134 P155 L157	P131-Y134 VanDerWaalsContact CG-OH 3.29Å; P131-Y134 WeakPolarHBondContact CG-OH 3.31Å; P131-P155 HydrophobicContact CB-CB 4.37Å; P131-L157 HydrophobicContact CB-CD2 4.3Å
132	E	87.5	Confident	88.2	Confident	30 Å²	30	76.8 Å²	76.8	14%	0.14	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	162.6	172.6	-70.6	-173.3	-177.4	0	0	111	R130 P155 V156 K158	R130-E132 HydrophobicContact CG-CG 4.33Å; R130-E132 IonicContact CZ-OE1 3.92Å; R130-E132 IonicContact NE-OE1 3.06Å; R130-E132 PolarHBondContact NE-OE1 3.25Å; R130-E132 IonicContact NH2-OE1 2.76Å; R130-E132 PolarHBondContact NH2-OE1 3.07Å; E132-P155 CarbonylContact O-C 3.53Å; E132-P155 WeakPolarHBondContact O-CA 3.37Å; E132-P155 WeakPolarHBondContact O-CB 3.16Å; E132-V156 PolarHBondContact N-O 3.45Å; E132-V156 PolarHBondContact O-N 2.77Å; E132-K158 HydrophobicContact CB-CG 4.39Å; E132-K158 WeakPolarHBondContact OE2-CD 3.47Å; E132-K158 WeakPolarHBondContact OE2-CE 3.26Å; E132-K158 IonicContact OE2-NZ 2.68Å; E132-K158 PolarHBondContact OE2-NZ 2.94Å
133	G	85.7	Confident	87.6	Confident	32 Å²	32	82.9 Å²	82.9	33%	0.33	40%	0.401	S	S	.	.			trans	90.7	40.7	-179.4	0	0	0	0	0	114.2
134	Y	87.8	Confident	86.9	Confident	116 Å²	116	84.4 Å²	84.4	46%	0.455	41%	0.408	S	S	.	.			trans	-69.3	139	173.8	-68.4	-82.1	0	0	0	111.6	P131 L136 K144 P155	P131-Y134 VanDerWaalsContact CG-OH 3.29Å; P131-Y134 WeakPolarHBondContact CG-OH 3.31Å; Y134-L136 VanDerWaalsContact C-N 3.32Å; Y134-L136 PolarHBondContact O-N 3.1Å; Y134-K144 PolarHBondContact O-NZ 3.04Å; Y134-K144 VanDerWaalsContact O-NZ 3.16Å; Y134-P155 HydrophobicContact CD1-CG 4.34Å; Y134-P155 HydrophobicContact CE1-CG 4.41Å
135	N	87.9	Confident	86.2	Confident	43 Å²	43	89.3 Å²	89.3	23%	0.23	43%	0.434	C	S	.	.	S	Bend	trans	-66	-33.8	179.6	-67.6	-60.9	0	0	0	113.2	K144 L152 Q153	N135-K144 WeakPolarHBondContact O-CD 3.35Å; N135-L152 HydrophobicContact CB-CD2 4.48Å; N135-Q153 PolarHBondContact ND2-O 3.46Å; N135-Q153 PolarHBondContact OD1-N 2.9Å; N135-Q153 PolarHBondContact OD1-O 3.39Å
136	L	87.7	Confident	85.5	Confident	100 Å²	100	93.2 Å²	93.2	52%	0.524	46%	0.457	S	S	.	.	S	Bend	trans	-106.5	-1.8	-172.4	-59.5	177.4	0	0	0	113.5	Y134 I143 K144	Y134-L136 VanDerWaalsContact C-N 3.32Å; Y134-L136 PolarHBondContact O-N 3.1Å; L136-I143 WeakPolarHBondContact O-CA 3.38Å; L136-K144 PolarHBondContact O-N 3.03Å
137	K	84.3	Confident	85.1	Confident	109 Å²	109	93.3 Å²	93.3	47%	0.474	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-128.7	139.4	177.8	-66.1	-177.3	177.7	-177	0	110.7	R142 K144	K137-R142 CarbonylContact C-O 3.39Å; K137-R142 WeakPolarHBondContact CA-O 3.35Å; K137-K144 VanDerWaalsContact O-CE 3.23Å; K137-K144 WeakPolarHBondContact O-CE 3.28Å; K137-K144 PolarHBondContact O-NZ 2.61Å
138	D	78.7	Confident	84.6	Confident	48 Å²	48	93 Å²	93	26%	0.257	48%	0.476	S	S	.	.			trans	-76.9	176.8	167.1	61.7	16.7	0	0	0	111.4	E140 G141 R142 K144	D138-E140 PolarHBondContact O-N 2.81Å; D138-E140 PolarHBondContact OD1-N 3.04Å; D138-G141 PolarHBondContact O-N 3.13Å; D138-G141 PolarHBondContact OD1-N 3.2Å; D138-R142 PolarHBondContact N-O 2.98Å; D138-R142 WeakPolarHBondContact OD1-CA 3.07Å; D138-R142 WeakPolarHBondContact OD1-CB 3.39Å; D138-R142 PolarHBondContact OD1-N 3.32Å; D138-R142 WeakPolarHBondContact OD2-CB 3.42Å; D138-K144 HydrophobicContact CB-CG 4.43Å
139	E	75.4	Confident	84.2	Confident	150 Å²	150	91.5 Å²	91.5	70%	0.701	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.6	-178.5	-66.4	-160.8	158.7	0	0	111.7	G141 K158	E139-G141 VanDerWaalsContact C-N 3.31Å; E139-K158 IonicContact OE1-NZ 3.39Å; E139-K158 PolarHBondContact OE1-NZ 2.96Å
140	E	79.4	Confident	83.9	Confident	138 Å²	138	93.3 Å²	93.3	65%	0.645	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	2.7	171.8	-57.5	82.5	-177.5	0	0	113.9	D138 R142	D138-E140 PolarHBondContact O-N 2.81Å; D138-E140 PolarHBondContact OD1-N 3.04Å; E140-R142 VanDerWaalsContact C-N 3.32Å; E140-R142 HydrophobicContact CB-CG 4.36Å; E140-R142 PolarHBondContact O-N 3.29Å
141	G	79.6	Confident	83.8	Confident	43 Å²	43	90.8 Å²	90.8	44%	0.443	49%	0.491	S	S	.	.			trans	79.1	6.1	176.5	0	0	0	0	0	115.4	D138 E139	D138-G141 PolarHBondContact O-N 3.13Å; D138-G141 PolarHBondContact OD1-N 3.2Å; E139-G141 VanDerWaalsContact C-N 3.31Å
142	R	83.8	Confident	83.8	Confident	175 Å²	175	95 Å²	95	66%	0.66	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-76.9	147	177.1	-48.6	175.1	180	173.9	2.5	110.1	K137 D138 E140 K144	K137-R142 CarbonylContact C-O 3.39Å; K137-R142 WeakPolarHBondContact CA-O 3.35Å; D138-R142 PolarHBondContact N-O 2.98Å; D138-R142 WeakPolarHBondContact OD1-CA 3.07Å; D138-R142 WeakPolarHBondContact OD1-CB 3.39Å; D138-R142 PolarHBondContact OD1-N 3.32Å; D138-R142 WeakPolarHBondContact OD2-CB 3.42Å; E140-R142 VanDerWaalsContact C-N 3.32Å; E140-R142 HydrophobicContact CB-CG 4.36Å; E140-R142 PolarHBondContact O-N 3.29Å; R142-K144 PolarHBondContact O-N 3.43Å
143	I	85.3	Confident	83.8	Confident	144 Å²	144	99.4 Å²	99.4	74%	0.738	53%	0.53	S	S	*	.	B	Isolated β-bridge	trans	-70.2	123	-179.7	-59.4	175.1	0	0	0	108.8	L136	L136-I143 WeakPolarHBondContact O-CA 3.38Å
144	K	82.9	Confident	84.1	Confident	76 Å²	76	104.1 Å²	104.1	33%	0.33	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-72.3	142.7	172.3	-70.9	173.9	173.9	154	0	109.6	Y134 N135 L136 K137 D138 R142 V146	Y134-K144 PolarHBondContact O-NZ 3.04Å; Y134-K144 VanDerWaalsContact O-NZ 3.16Å; N135-K144 WeakPolarHBondContact O-CD 3.35Å; L136-K144 PolarHBondContact O-N 3.03Å; K137-K144 VanDerWaalsContact O-CE 3.23Å; K137-K144 WeakPolarHBondContact O-CE 3.28Å; K137-K144 PolarHBondContact O-NZ 2.61Å; D138-K144 HydrophobicContact CB-CG 4.43Å; R142-K144 PolarHBondContact O-N 3.43Å; K144-V146 PolarHBondContact O-N 2.84Å
145	D	82.2	Confident	84.2	Confident	102 Å²	102	101.1 Å²	101.1	55%	0.545	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-64.1	124.3	170.1	-177.3	-0.1	0	0	0	109.3	S147 T148	D145-S147 PolarHBondContact O-N 2.91Å; D145-S147 VanDerWaalsContact O-N 3.12Å; D145-S147 PolarHBondContact OD1-N 2.95Å; D145-S147 VanDerWaalsContact OD1-N 3.1Å; D145-S147 PolarHBondContact OD1-OG 2.89Å; D145-S147 PolarHBondContact OD2-OG 2.82Å; D145-T148 HydrophobicContact CB-CG2 4.17Å; D145-T148 WeakPolarHBondContact O-CB 3.38Å; D145-T148 PolarHBondContact O-N 2.88Å; D145-T148 PolarHBondContact O-OG1 3.4Å
146	V	81.6	Confident	84.4	Confident	105 Å²	105	103.8 Å²	103.8	64%	0.636	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-57.2	-29.7	-178	-176.9	0	0	0	0	111.2	K144 T148 V149	K144-V146 PolarHBondContact O-N 2.84Å; V146-T148 PolarHBondContact O-N 2.91Å; V146-V149 PolarHBondContact O-N 2.93Å
147	S	83.1	Confident	84.7	Confident	93 Å²	93	104.5 Å²	104.5	65%	0.65	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-62.7	-21.8	177	75.8	0	0	0	0	113.7	D145	D145-S147 PolarHBondContact O-N 2.91Å; D145-S147 VanDerWaalsContact O-N 3.12Å; D145-S147 PolarHBondContact OD1-N 2.95Å; D145-S147 VanDerWaalsContact OD1-N 3.1Å; D145-S147 PolarHBondContact OD1-OG 2.89Å; D145-S147 PolarHBondContact OD2-OG 2.82Å
148	T	81.6	Confident	85	Confident	86 Å²	86	103.3 Å²	103.3	53%	0.528	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-89.6	-9.2	-178.4	66.8	0	0	0	0	113.6	D145 V146 T150	D145-T148 HydrophobicContact CB-CG2 4.17Å; D145-T148 WeakPolarHBondContact O-CB 3.38Å; D145-T148 PolarHBondContact O-N 2.88Å; D145-T148 PolarHBondContact O-OG1 3.4Å; V146-T148 PolarHBondContact O-N 2.91Å; T148-T150 PolarHBondContact O-N 3.22Å
149	V	82.5	Confident	85.7	Confident	48 Å²	48	106.4 Å²	106.4	29%	0.291	59%	0.585	S	S	.	*			trans	-82.5	98.4	-177.7	-175.8	0	0	0	0	109.6	V146 L152	V146-V149 PolarHBondContact O-N 2.93Å; V149-L152 HydrophobicContact CG1-CD2 4.44Å
150	T	86.1	Confident	86.5	Confident	138 Å²	138	101.4 Å²	101.4	85%	0.847	56%	0.563	S	S	*	*			trans	-90.3	-20.2	-178.6	53.3	0	0	0	0	113.8	T148	T148-T150 PolarHBondContact O-N 3.22Å
151	S	86.7	Confident	86.9	Confident	71 Å²	71	101.9 Å²	101.9	50%	0.497	57%	0.57	S	S	.	*	S	Bend	trans	-152.7	154.7	178.3	59.4	0	0	0	0	110.5
152	L	89.5	Confident	87.4	Confident	149 Å²	149	104.8 Å²	104.8	78%	0.78	58%	0.575	S	S	*	*			trans	-92.2	132.8	175.6	-64.2	177.5	0	0	0	110.2	N135 V149	N135-L152 HydrophobicContact CB-CD2 4.48Å; V149-L152 HydrophobicContact CG1-CD2 4.44Å
153	Q	87.6	Confident	87.7	Confident	122 Å²	122	99.7 Å²	99.7	57%	0.57	56%	0.559	S	S	*	*			trans	-114.7	149.6	176.2	-62.2	-176.5	-9.8	0	0	110.4	N135	N135-Q153 PolarHBondContact ND2-O 3.46Å; N135-Q153 PolarHBondContact OD1-N 2.9Å; N135-Q153 PolarHBondContact OD1-O 3.39Å
154	V	91.6	Very high	88.1	Confident	130 Å²	130	94.5 Å²	94.5	79%	0.788	53%	0.534	S	S	*	.			trans	-94.5	130.6	173	-179.2	0	0	0	0	108
155	P	91.4	Very high	88.6	Confident	54 Å²	54	94.3 Å²	94.3	35%	0.351	53%	0.534	S	S	.	.			trans	-57.3	143.3	177.5	-25.8	34.7	0	0	0	112.5	P131 E132 Y134	P131-P155 HydrophobicContact CB-CB 4.37Å; E132-P155 CarbonylContact O-C 3.53Å; E132-P155 WeakPolarHBondContact O-CA 3.37Å; E132-P155 WeakPolarHBondContact O-CB 3.16Å; Y134-P155 HydrophobicContact CD1-CG 4.34Å; Y134-P155 HydrophobicContact CE1-CG 4.41Å
156	V	92.1	Very high	89.2	Confident	98 Å²	98	91.1 Å²	91.1	59%	0.594	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.5	178	-177.9	0	0	0	0	109	E132 K158	E132-V156 PolarHBondContact N-O 3.45Å; E132-V156 PolarHBondContact O-N 2.77Å; V156-K158 PolarHBondContact O-N 3.38Å
157	L	92.7	Very high	89.9	Confident	115 Å²	115	88.3 Å²	88.3	60%	0.602	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	117.2	174.3	-67.7	173.3	0	0	0	109.6	K129 R130 P131	K129-L157 HydrophobicContact CB-CB 4.43Å; R130-L157 WeakPolarHBondContact O-CA 3.46Å; P131-L157 HydrophobicContact CB-CD2 4.3Å
158	K	91.6	Very high	90.5	Very high	85 Å²	85	87.7 Å²	87.7	37%	0.37	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	148	170.8	-66	-154.8	-158.5	145.9	0	110.9	K129 R130 E132 E139 V156	K129-K158 CarbonylContact C-O 3.57Å; K129-K158 VanDerWaalsContact CA-O 3.28Å; K129-K158 WeakPolarHBondContact CA-O 3.39Å; R130-K158 PolarHBondContact N-O 3.32Å; R130-K158 PolarHBondContact O-N 2.79Å; E132-K158 HydrophobicContact CB-CG 4.39Å; E132-K158 WeakPolarHBondContact OE2-CD 3.47Å; E132-K158 WeakPolarHBondContact OE2-CE 3.26Å; E132-K158 IonicContact OE2-NZ 2.68Å; E132-K158 PolarHBondContact OE2-NZ 2.94Å; E139-K158 IonicContact OE1-NZ 3.39Å; E139-K158 PolarHBondContact OE1-NZ 2.96Å; V156-K158 PolarHBondContact O-N 3.38Å
159	P	93.3	Very high	91.2	Very high	112 Å²	112	89.8 Å²	89.8	73%	0.727	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	144.4	171.9	-22.2	33.3	0	0	0	111.9	D128	D128-P159 CarbonylContact O-C 3.5Å; D128-P159 WeakPolarHBondContact O-CA 3.36Å
160	M	91.7	Very high	92	Very high	46 Å²	46	91 Å²	91	23%	0.227	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	168.3	171.9	63.6	174.2	-78.5	0	0	109.6	D128 R130 M163	D128-M160 PolarHBondContact O-N 3.15Å; R130-M160 HydrophobicContact CB-CG 4.47Å; R130-M160 HydrophobicContact CB-SD 3.73Å; R130-M160 HydrophobicContact CG-CB 4.23Å; R130-M160 HydrophobicContact CG-SD 4.29Å; M160-M163 HydrophobicContact CE-CB 3.83Å; M160-M163 HydrophobicContact CE-SD 4.16Å
161	D	89.3	Confident	92.5	Very high	147 Å²	147	87.7 Å²	87.7	79%	0.786	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	141.5	171.6	-60.3	-35.5	0	0	0	110.6	M163	D161-M163 PolarHBondContact O-N 3.24Å
162	L	88.4	Confident	93.1	Very high	105 Å²	105	84.3 Å²	84.3	55%	0.55	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	121.8	-178.4	-173.2	71	0	0	0	109.8	E126 D128	E126-L162 HydrophobicContact CB-CD1 3.85Å; E126-L162 HydrophobicContact CG-CD1 4.29Å; D128-L162 HydrophobicContact CB-CD1 4.3Å
163	M	90.4	Very high	93.3	Very high	67 Å²	67	78.6 Å²	78.6	33%	0.33	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131	178.9	-167.1	-178.3	75.3	0	0	109.8	R127 M160 D161 E165	R127-M163 PolarHBondContact N-O 3.23Å; R127-M163 PolarHBondContact O-N 2.88Å; M160-M163 HydrophobicContact CE-CB 3.83Å; M160-M163 HydrophobicContact CE-SD 4.16Å; D161-M163 PolarHBondContact O-N 3.24Å; M163-E165 HydrophobicContact CE-CG 3.47Å; M163-E165 VanDerWaalsContact CE-CG 3.47Å; M163-E165 WeakPolarHBondContact CE-OE1 3.07Å
164	V	93.3	Very high	93.5	Very high	36 Å²	36	80.8 Å²	80.8	22%	0.218	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119	176.5	-175	0	0	0	0	108.9	Y74 V124	Y74-V164 HydrophobicContact CD1-CG1 4.07Å; Y74-V164 HydrophobicContact CD1-CG2 4.45Å; Y74-V164 HydrophobicContact CD2-CG2 3.96Å; Y74-V164 HydrophobicContact CE1-CB 4.45Å; Y74-V164 HydrophobicContact CE1-CG1 3.54Å; Y74-V164 HydrophobicContact CE1-CG2 4.03Å; Y74-V164 HydrophobicContact CE2-CG2 3.5Å; Y74-V164 VanDerWaalsContact CE2-CG2 3.5Å; Y74-V164 HydrophobicContact CG-CG2 4.43Å; V124-V164 HydrophobicContact CG1-CG1 3.75Å
165	E	93.1	Very high	93.6	Very high	71 Å²	71	75.6 Å²	75.6	33%	0.332	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.9	175.6	-66.4	-171.2	142.3	0	0	110.3	S125 R127 M163	S125-E165 PolarHBondContact N-O 2.86Å; S125-E165 PolarHBondContact O-N 3.04Å; R127-E165 IonicContact CZ-OE1 3.8Å; R127-E165 IonicContact CZ-OE2 3.95Å; R127-E165 IonicContact NE-OE1 2.96Å; R127-E165 IonicContact NH1-OE1 3.2Å; R127-E165 PolarHBondContact NH1-OE1 3.15Å; R127-E165 IonicContact NH1-OE2 3.13Å; R127-E165 PolarHBondContact NH1-OE2 3.14Å; R127-E165 VanDerWaalsContact NH1-OE2 3.16Å; R127-E165 IonicContact NH2-OE1 2.85Å; R127-E165 PolarHBondContact NH2-OE1 3.2Å; M163-E165 HydrophobicContact CE-CG 3.47Å; M163-E165 VanDerWaalsContact CE-CG 3.47Å; M163-E165 WeakPolarHBondContact CE-OE1 3.07Å
166	V	96.3	Very high	93.9	Very high	36 Å²	36	73.6 Å²	73.6	22%	0.218	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.8	172.4	-174.8	0	0	0	0	109.5	S75 F77 W122 K123 V124	S75-V166 WeakPolarHBondContact OG-CG2 3.29Å; F77-V166 HydrophobicContact CB-CB 4.41Å; F77-V166 HydrophobicContact CB-CG1 4.38Å; F77-V166 HydrophobicContact CD1-CB 4.02Å; F77-V166 HydrophobicContact CD1-CG1 3.61Å; F77-V166 HydrophobicContact CD1-CG2 3.9Å; F77-V166 HydrophobicContact CD2-CG1 3.89Å; F77-V166 HydrophobicContact CE1-CB 4.49Å; F77-V166 HydrophobicContact CE1-CG1 3.73Å; F77-V166 HydrophobicContact CE1-CG2 4.27Å; F77-V166 HydrophobicContact CE2-CG1 4Å; F77-V166 HydrophobicContact CG-CB 4.16Å; F77-V166 HydrophobicContact CG-CG1 3.69Å; F77-V166 HydrophobicContact CZ-CG1 3.9Å; W122-V166 HydrophobicContact CB-CG1 4.5Å; W122-V166 HydrophobicContact CD2-CG1 4.5Å; W122-V166 HydrophobicContact CE3-CG1 3.71Å; W122-V166 HydrophobicContact CZ3-CG1 4.35Å; K123-V166 CarbonylContact O-C 3.55Å; K123-V166 WeakPolarHBondContact O-CA 3.45Å; V124-V166 HydrophobicContact CB-CG2 4.44Å; V124-V166 HydrophobicContact CG1-CG2 4.1Å; V124-V166 HydrophobicContact CG2-CG1 4.33Å; V124-V166 HydrophobicContact CG2-CG2 4.1Å
167	S	95.9	Very high	93.9	Very high	45 Å²	45	72 Å²	72	32%	0.315	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.1	-179.1	55.2	0	0	0	0	111.8	K123 R169	K123-S167 PolarHBondContact N-O 2.96Å; K123-S167 PolarHBondContact O-N 3.14Å; S167-R169 PolarHBondContact O-N 2.93Å
168	P	96.3	Very high	94	Very high	80 Å²	80	68.7 Å²	68.7	52%	0.519	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	119.5	171.5	29.1	-29.6	0	0	0	108.2	W122	W122-P168 HydrophobicContact CD2-CB 4.42Å; W122-P168 HydrophobicContact CE3-CB 3.95Å; W122-P168 HydrophobicContact CH2-CB 3.82Å; W122-P168 HydrophobicContact CH2-CG 4.18Å; W122-P168 HydrophobicContact CZ2-CB 4.22Å; W122-P168 HydrophobicContact CZ3-CB 3.68Å; W122-P168 HydrophobicContact CZ3-CG 3.93Å
169	R	96.6	Very high	94.2	Very high	130 Å²	130	68.7 Å²	68.7	49%	0.491	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-44.8	178.2	-78.3	-80.6	173.9	126.3	-24.1	111.3	F110 L121 K123 S167	F110-R169 HydrophobicContact CE1-CG 4.37Å; L121-R169 HydrophobicContact CB-CB 4.46Å; L121-R169 HydrophobicContact CD2-CB 4.15Å; L121-R169 HydrophobicContact CG-CB 4.17Å; L121-R169 WeakPolarHBondContact O-CB 3.41Å; L121-R169 PolarHBondContact O-N 3.12Å; K123-R169 HydrophobicContact CB-CG 3.62Å; S167-R169 PolarHBondContact O-N 2.93Å
170	R	97.5	Very high	94.5	Very high	75 Å²	75	63.4 Å²	63.4	28%	0.283	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	151	-171.5	-61.1	177.3	-179.5	-87.9	3.5	110.7	K120 L121 F172 L205 D206 T208	K120-R170 WeakPolarHBondContact CA-O 3.26Å; L121-R170 HydrophobicContact CB-CB 4.04Å; L121-R170 HydrophobicContact CD2-CB 4.48Å; L121-R170 HydrophobicContact CD2-CG 4.32Å; L121-R170 PolarHBondContact N-O 3.01Å; L121-R170 PolarHBondContact O-N 3.12Å; R170-F172 HydrophobicContact CB-CE2 3.94Å; R170-F172 HydrophobicContact CB-CZ 4.04Å; R170-L205 WeakPolarHBondContact CD-O 3.37Å; R170-L205 PolarHBondContact NE-O 3.17Å; R170-L205 VanDerWaalsContact NE-O 3.11Å; R170-D206 IonicContact CZ-OD1 3.2Å; R170-D206 IonicContact NE-OD1 3.29Å; R170-D206 PolarHBondContact NE-OD1 2.85Å; R170-D206 PolarHBondContact NH1-O 2.83Å; R170-D206 VanDerWaalsContact NH2-CG 3.29Å; R170-D206 IonicContact NH2-OD1 2.75Å; R170-D206 PolarHBondContact NH2-OD1 2.93Å; R170-T208 HydrophobicContact CB-CG2 3.8Å; R170-T208 HydrophobicContact CG-CG2 4.2Å
171	V	97.9	Very high	94.8	Very high	68 Å²	68	62.2 Å²	62.2	41%	0.412	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.5	177.5	-175.6	0	0	0	0	107.6	T118 K120 A173 T208	T118-V171 HydrophobicContact CG2-CG1 3.47Å; T118-V171 VanDerWaalsContact CG2-CG1 3.47Å; K120-V171 HydrophobicContact CG-CG1 4.27Å; K120-V171 HydrophobicContact CG-CG2 4.21Å; V171-A173 HydrophobicContact CG1-CB 4.42Å; V171-T208 WeakPolarHBondContact O-CB 3.45Å
172	F	98.1	Very high	95.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	104.3	178.3	-50.1	-95.7	0	0	0	107.6	L112 I119 L121 R170 Y192 W203 L205 I207 T208	L112-F172 HydrophobicContact CD2-CE2 4.24Å; I119-F172 HydrophobicContact CB-CB 4.21Å; I119-F172 HydrophobicContact CB-CD2 4.3Å; I119-F172 HydrophobicContact CD1-CB 4.43Å; I119-F172 HydrophobicContact CG2-CD2 4.42Å; I119-F172 PolarHBondContact N-O 2.65Å; I119-F172 PolarHBondContact O-N 3.39Å; L121-F172 HydrophobicContact CB-CE2 4.08Å; R170-F172 HydrophobicContact CB-CE2 3.94Å; R170-F172 HydrophobicContact CB-CZ 4.04Å; F172-Y192 WeakPolarHBondContact CB-OH 3.47Å; F172-Y192 HydrophobicContact CD1-CE1 4.3Å; F172-Y192 WeakPolarHBondContact CD1-OH 3.25Å; F172-Y192 HydrophobicContact CD2-CE1 4.37Å; F172-Y192 WeakPolarHBondContact CD2-OH 3.49Å; F172-Y192 AromaticContact CE1-CE1 4Å; F172-Y192 HydrophobicContact CE1-CE1 4Å; F172-Y192 HydrophobicContact CE2-CE1 4.06Å; F172-Y192 HydrophobicContact CG-CE1 4.48Å; F172-Y192 WeakPolarHBondContact CG-OH 3.27Å; F172-Y192 AromaticContact CZ-CE1 3.87Å; F172-Y192 HydrophobicContact CZ-CE1 3.87Å; F172-W203 HydrophobicContact CB-CD2 4.39Å; F172-W203 HydrophobicContact CB-CE3 3.99Å; F172-W203 HydrophobicContact CB-CH2 3.87Å; F172-W203 HydrophobicContact CB-CZ2 4.28Å; F172-W203 HydrophobicContact CB-CZ3 3.74Å; F172-W203 HydrophobicContact CD1-CD2 4.23Å; F172-W203 AromaticContact CD1-CE3 3.58Å; F172-W203 HydrophobicContact CD1-CE3 3.58Å; F172-W203 AromaticContact CD1-CZ3 3.98Å; F172-W203 HydrophobicContact CD1-CZ3 3.98Å; F172-W203 HydrophobicContact CE1-CE3 4.5Å; F172-W203 HydrophobicContact CG-CE3 4.2Å; F172-W203 HydrophobicContact CG-CZ3 4.36Å; F172-L205 WeakPolarHBondContact CZ-O 3.45Å; F172-I207 WeakPolarHBondContact CE1-O 3.45Å; F172-T208 HydrophobicContact CD1-CG2 3.94Å; F172-T208 HydrophobicContact CE1-CG2 3.83Å; F172-T208 HydrophobicContact CZ-CG2 4.31Å
173	A	94.7	Very high	95.7	Very high	29 Å²	29	50.8 Å²	50.8	24%	0.24	27%	0.269	C	S	.	.			trans	-128.7	170.5	-171.7	0	0	0	0	0	111.3	T118 V171 A175	T118-A173 HydrophobicContact CG2-CB 4.13Å; V171-A173 HydrophobicContact CG1-CB 4.42Å; A173-A175 PolarHBondContact O-N 2.93Å; A173-A175 VanDerWaalsContact O-N 3.12Å
174	N	91.2	Very high	96.1	Very high	167 Å²	167	47.9 Å²	47.9	89%	0.893	26%	0.256	S	S	*	.	S	Bend	trans	61.8	17.2	170	-57.2	-45.7	0	0	0	116.6
175	A	95.1	Very high	96.3	Very high	22 Å²	22	47.5 Å²	47.5	18%	0.182	25%	0.253	C	S	.	.			trans	-99.5	-17.7	175.1	0	0	0	0	0	114.1	A173 N201 W203 S211	A173-A175 PolarHBondContact O-N 2.93Å; A173-A175 VanDerWaalsContact O-N 3.12Å; A175-N201 PolarHBondContact O-ND2 2.86Å; A175-N201 VanDerWaalsContact O-ND2 3.15Å; A175-W203 HydrophobicContact CB-CH2 3.29Å; A175-W203 HydrophobicContact CB-CZ2 3.26Å; A175-W203 HydrophobicContact CB-CZ3 4.45Å; A175-S211 WeakPolarHBondContact CB-OG 3.48Å
176	H	95.9	Very high	96.6	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.051	24%	0.239	C	C	.	.			trans	-105.9	130.9	-177.1	-75.4	-76.3	0	0	0	111.4	I180 S194 D196 N201	H176-I180 HydrophobicContact CB-CD1 4.23Å; H176-I180 HydrophobicContact CB-CG1 3.9Å; H176-S194 PolarHBondContact CE1-O 3.29Å; H176-S194 WeakPolarHBondContact NE2-CB 3.28Å; H176-S194 PolarHBondContact NE2-OG 2.66Å; H176-D196 HydrophobicContact CB-CB 4.47Å; H176-D196 IonicContact CE1-OD2 2.76Å; H176-D196 IonicContact CG-OD2 2.68Å; H176-D196 WeakPolarHBondContact ND1-CB 3.26Å; H176-D196 VanDerWaalsContact ND1-CG 3.31Å; H176-D196 IonicContact ND1-OD2 3.15Å; H176-D196 PolarHBondContact ND1-OD2 3.03Å; H176-N201 PolarHBondContact CE1-ND2 2.76Å; H176-N201 PolarHBondContact NE2-ND2 2.8Å
177	T	93.3	Very high	96.6	Very high	66 Å²	66	44.4 Å²	44.4	41%	0.405	24%	0.24	S	C	.	.	S	Bend	trans	-87.7	-37	173.6	-57.1	0	0	0	0	110.2	K117	K117-T177 PolarHBondContact NZ-O 2.95Å
178	Y	94.8	Very high	96.6	Very high	45 Å²	45	44.9 Å²	44.9	18%	0.176	24%	0.239	C	C	.	.	S	Bend	trans	-104.1	-171.5	-176.7	-52.9	-79.8	0	0	0	111.4	K117 D197 L198 M222	K117-Y178 PolarHBondContact NZ-O 3.31Å; Y178-D197 WeakPolarHBondContact CB-OD2 3.35Å; Y178-D197 HydrophobicContact CG-CB 4.44Å; Y178-L198 HydrophobicContact CD2-CB 4.07Å; Y178-L198 HydrophobicContact CD2-CD1 4.15Å; Y178-L198 HydrophobicContact CD2-CG 4.2Å; Y178-L198 HydrophobicContact CE1-CD1 4.11Å; Y178-L198 HydrophobicContact CE2-CB 4.05Å; Y178-L198 HydrophobicContact CE2-CD1 3.56Å; Y178-L198 HydrophobicContact CE2-CG 4.09Å; Y178-M222 HydrophobicContact CE1-CE 4.4Å
179	H	96.3	Very high	96.6	Very high	84 Å²	84	47.4 Å²	47.4	39%	0.389	24%	0.239	S	C	.	.			trans	-82.4	124.6	-174.9	-60.8	-76.4	0	0	0	110.6	D116 N181 D196 D197	D116-H179 HydrophobicContact CB-CB 4.45Å; D116-H179 IonicContact OD1-ND1 4Å; D116-H179 IonicContact OD2-CE1 2.82Å; D116-H179 PolarHBondContact OD2-CE1 3.21Å; D116-H179 IonicContact OD2-CG 3.74Å; D116-H179 IonicContact OD2-ND1 3.97Å; D116-H179 PolarHBondContact OD2-ND1 3.27Å; H179-N181 PolarHBondContact O-N 3.39Å; H179-D196 VanDerWaalsContact O-CA 3.23Å; H179-D196 WeakPolarHBondContact O-CA 3.47Å; H179-D196 WeakPolarHBondContact O-CB 3.4Å; H179-D197 IonicContact CD2-OD2 3.02Å; H179-D197 PolarHBondContact N-OD2 2.73Å
180	I	98.4	Very high	96.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.242	C	C	.	.			trans	-65.8	117.3	176	-62.8	165.4	0	0	0	109.1	N97 T114 D116 I119 H176 I183 A195	N97-I180 PolarHBondContact ND2-O 2.82Å; T114-I180 HydrophobicContact CG2-CG2 4.03Å; D116-I180 WeakPolarHBondContact O-CG1 3.44Å; D116-I180 PolarHBondContact O-N 2.88Å; I119-I180 HydrophobicContact CD1-CD1 3.68Å; I119-I180 HydrophobicContact CG1-CD1 4.29Å; H176-I180 HydrophobicContact CB-CD1 4.23Å; H176-I180 HydrophobicContact CB-CG1 3.9Å; I180-I183 HydrophobicContact CG2-CG2 4.41Å; I180-A195 CarbonylContact C-O 3.58Å; I180-A195 WeakPolarHBondContact CA-O 3.43Å
181	N	97.6	Very high	96.6	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.112	24%	0.235	C	C	.	.			trans	-101.4	-23.3	177.6	60.3	56.1	0	0	0	112.8	H179 A195 D196 I229	H179-N181 PolarHBondContact O-N 3.39Å; N181-A195 PolarHBondContact N-O 2.8Å; N181-A195 PolarHBondContact OD1-O 3.41Å; N181-D196 VanDerWaalsContact ND2-C 3.26Å; N181-D196 PolarHBondContact ND2-O 2.96Å; N181-D196 VanDerWaalsContact ND2-O 3.15Å; N181-I229 PolarHBondContact ND2-O 2.76Å; N181-I229 VanDerWaalsContact ND2-O 3.13Å
182	S	98.5	Very high	96.7	Very high	10 Å²	10	41 Å²	41	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.7	-174.8	-53	0	0	0	0	112.9	S194 A195 A231 A232	S182-S194 CarbonylContact O-C 3.59Å; S182-S194 VanDerWaalsContact O-CA 3.27Å; S182-S194 WeakPolarHBondContact O-CA 3.42Å; S182-A195 PolarHBondContact N-O 2.77Å; S182-A195 PolarHBondContact O-N 3.41Å; S182-A231 VanDerWaalsContact OG-CA 3.3Å; S182-A231 WeakPolarHBondContact OG-CA 3.34Å; S182-A232 WeakPolarHBondContact CB-O 3.12Å; S182-A232 PolarHBondContact OG-N 2.85Å
183	I	98.7	Very high	96.7	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.7	161.4	49	167	0	0	0	108.5	K98 R100 L112 T114 I119 I180 M193	K98-I183 HydrophobicContact CB-CD1 4.19Å; K98-I183 HydrophobicContact CB-CG1 3.75Å; R100-I183 HydrophobicContact CB-CD1 4.19Å; R100-I183 HydrophobicContact CG-CD1 4.04Å; R100-I183 HydrophobicContact CG-CG1 3.85Å; R100-I183 WeakPolarHBondContact CG-O 3.48Å; R100-I183 PolarHBondContact NE-O 2.86Å; L112-I183 HydrophobicContact CB-CD1 3.84Å; T114-I183 HydrophobicContact CG2-CD1 3.96Å; T114-I183 HydrophobicContact CG2-CG1 4.03Å; T114-I183 HydrophobicContact CG2-CG2 3.94Å; I119-I183 HydrophobicContact CG1-CG2 3.99Å; I119-I183 HydrophobicContact CG2-CG2 4.47Å; I180-I183 HydrophobicContact CG2-CG2 4.41Å; I183-M193 VanDerWaalsContact CA-O 3.31Å; I183-M193 WeakPolarHBondContact CA-O 3.36Å
184	S	98.6	Very high	96.9	Very high	7 Å²	7	39.6 Å²	39.6	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	129.9	179.7	-171.3	0	0	0	0	110.3	Y192 M193 F234	S184-Y192 CarbonylContact O-C 3.53Å; S184-Y192 VanDerWaalsContact O-CA 3.32Å; S184-Y192 WeakPolarHBondContact O-CA 3.47Å; S184-Y192 WeakPolarHBondContact O-CB 3.49Å; S184-M193 PolarHBondContact N-O 2.91Å; S184-M193 PolarHBondContact O-N 2.96Å; S184-F234 WeakPolarHBondContact O-CD2 3.34Å; S184-F234 PolarHBondContact OG-N 3.05Å
185	V	98.1	Very high	97.2	Very high	28 Å²	28	31.7 Å²	31.7	17%	0.17	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.9	179.9	-178.9	0	0	0	0	109	R100 L112	R100-V185 HydrophobicContact CB-CG2 4.29Å; L112-V185 HydrophobicContact CD1-CG2 4.01Å
186	N	98.2	Very high	97.3	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	15%	0.153	C	C	.	.			trans	-80.4	152.3	178.5	-162.9	-15.3	0	0	0	110.8	D188 Y189 T191 F234 C239	N186-D188 WeakPolarHBondContact CB-OD1 3.43Å; N186-D188 PolarHBondContact ND2-OD2 2.78Å; N186-D188 PolarHBondContact O-N 2.88Å; N186-Y189 PolarHBondContact O-N 2.81Å; N186-T191 WeakPolarHBondContact CB-O 3.34Å; N186-T191 VanDerWaalsContact CB-OG1 3.27Å; N186-T191 WeakPolarHBondContact CB-OG1 3.24Å; N186-T191 PolarHBondContact N-O 3.34Å; N186-T191 PolarHBondContact ND2-OG1 2.93Å; N186-F234 HydrophobicContact CB-CD2 3.92Å; N186-F234 HydrophobicContact CB-CE2 3.86Å; N186-F234 HydrophobicContact CB-CG 4.31Å; N186-F234 HydrophobicContact CB-CZ 4.24Å; N186-C239 PolarHBondContact ND2-O 3.47Å; N186-C239 WeakPolarHBondContact OD1-CA 3.44Å; N186-C239 WeakPolarHBondContact OD1-CB 3.46Å; N186-C239 PolarHBondContact OD1-O 2.96Å
187	S	97.1	Very high	97.4	Very high	34 Å²	34	31.9 Å²	31.9	24%	0.238	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-1.9	174	55.3	0	0	0	0	113.8	Y189 P236 C239	S187-Y189 VanDerWaalsContact O-CD2 3.24Å; S187-Y189 WeakPolarHBondContact O-CD2 3.46Å; S187-Y189 VanDerWaalsContact O-CE2 3.32Å; S187-Y189 WeakPolarHBondContact O-CE2 3.26Å; S187-P236 WeakPolarHBondContact CB-O 3.47Å; S187-C239 VanDerWaalsContact OG-CA 3.3Å; S187-C239 WeakPolarHBondContact OG-CA 3.43Å; S187-C239 PolarHBondContact OG-N 3.3Å
188	D	96.9	Very high	97.6	Very high	55 Å²	55	28.9 Å²	28.9	29%	0.294	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.1	174.2	69.9	9	0	0	0	114.2	N186 E190 T191 C239	N186-D188 WeakPolarHBondContact CB-OD1 3.43Å; N186-D188 PolarHBondContact ND2-OD2 2.78Å; N186-D188 PolarHBondContact O-N 2.88Å; D188-E190 PolarHBondContact O-N 3.19Å; D188-E190 PolarHBondContact OD1-N 2.84Å; D188-T191 VanDerWaalsContact CG-OG1 3.3Å; D188-T191 PolarHBondContact OD1-N 3.12Å; D188-T191 PolarHBondContact OD1-OG1 3.13Å; D188-T191 WeakPolarHBondContact OD2-CG2 3.5Å; D188-T191 PolarHBondContact OD2-OG1 2.81Å; D188-C239 HydrophobicContact CB-CB 4.09Å
189	Y	94.7	Very high	97.7	Very high	133 Å²	133	29.8 Å²	29.8	52%	0.522	14%	0.144	S	C	.	.	S	Bend	trans	63	9	-177.9	-58.8	-103.9	0	0	0	115.6	P103 N186 S187	P103-Y189 HydrophobicContact CB-CD1 3.78Å; P103-Y189 HydrophobicContact CB-CE1 3.33Å; P103-Y189 HydrophobicContact CG-CD1 3.78Å; P103-Y189 HydrophobicContact CG-CE1 3.49Å; P103-Y189 VanDerWaalsContact CG-CE1 3.49Å; N186-Y189 PolarHBondContact O-N 2.81Å; S187-Y189 VanDerWaalsContact O-CD2 3.24Å; S187-Y189 WeakPolarHBondContact O-CD2 3.46Å; S187-Y189 VanDerWaalsContact O-CE2 3.32Å; S187-Y189 WeakPolarHBondContact O-CE2 3.26Å
190	E	96.8	Very high	97.8	Very high	118 Å²	118	25.8 Å²	25.8	55%	0.551	13%	0.126	S	C	*	.	S	Bend	trans	-121.2	-32.6	-177	-69.4	-174.7	171.6	0	0	112.2	D188 H204 L205	D188-E190 PolarHBondContact O-N 3.19Å; D188-E190 PolarHBondContact OD1-N 2.84Å; E190-H204 PolarHBondContact O-ND1 2.84Å; E190-H204 VanDerWaalsContact O-ND1 3.16Å; E190-L205 WeakPolarHBondContact O-CB 3.45Å; E190-L205 WeakPolarHBondContact O-CG 3.25Å; E190-L205 PolarHBondContact O-N 2.94Å
191	T	98.3	Very high	97.8	Very high	20 Å²	20	26 Å²	26	12%	0.123	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	160.4	-174.6	70.3	0	0	0	0	113.1	N186 D188 W203	N186-T191 WeakPolarHBondContact CB-O 3.34Å; N186-T191 VanDerWaalsContact CB-OG1 3.27Å; N186-T191 WeakPolarHBondContact CB-OG1 3.24Å; N186-T191 PolarHBondContact N-O 3.34Å; N186-T191 PolarHBondContact ND2-OG1 2.93Å; D188-T191 VanDerWaalsContact CG-OG1 3.3Å; D188-T191 PolarHBondContact OD1-N 3.12Å; D188-T191 PolarHBondContact OD1-OG1 3.13Å; D188-T191 WeakPolarHBondContact OD2-CG2 3.5Å; D188-T191 PolarHBondContact OD2-OG1 2.81Å; T191-W203 CarbonylContact C-O 3.59Å; T191-W203 WeakPolarHBondContact CA-O 3.37Å; T191-W203 WeakPolarHBondContact CB-O 3.09Å
192	Y	98.7	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163.5	168.9	78.7	-85.7	0	0	0	108.7	L112 I119 F172 S184 W203 L205	L112-Y192 HydrophobicContact CD1-CD1 4.1Å; L112-Y192 HydrophobicContact CD1-CD2 3.76Å; L112-Y192 HydrophobicContact CD1-CE1 4.43Å; L112-Y192 HydrophobicContact CD1-CE2 4.16Å; L112-Y192 HydrophobicContact CD1-CG 3.74Å; I119-Y192 HydrophobicContact CG2-CE2 4.26Å; F172-Y192 WeakPolarHBondContact CB-OH 3.47Å; F172-Y192 HydrophobicContact CD1-CE1 4.3Å; F172-Y192 WeakPolarHBondContact CD1-OH 3.25Å; F172-Y192 HydrophobicContact CD2-CE1 4.37Å; F172-Y192 WeakPolarHBondContact CD2-OH 3.49Å; F172-Y192 AromaticContact CE1-CE1 4Å; F172-Y192 HydrophobicContact CE1-CE1 4Å; F172-Y192 HydrophobicContact CE2-CE1 4.06Å; F172-Y192 HydrophobicContact CG-CE1 4.48Å; F172-Y192 WeakPolarHBondContact CG-OH 3.27Å; F172-Y192 AromaticContact CZ-CE1 3.87Å; F172-Y192 HydrophobicContact CZ-CE1 3.87Å; S184-Y192 CarbonylContact O-C 3.53Å; S184-Y192 VanDerWaalsContact O-CA 3.32Å; S184-Y192 WeakPolarHBondContact O-CA 3.47Å; S184-Y192 WeakPolarHBondContact O-CB 3.49Å; Y192-W203 HydrophobicContact CD1-CB 3.72Å; Y192-W203 HydrophobicContact CE1-CB 3.29Å; Y192-W203 AromaticContact CE1-CG 3.87Å; Y192-W203 HydrophobicContact CE1-CG 3.87Å; Y192-W203 HydrophobicContact CE2-CB 4.17Å; Y192-W203 AromaticContact CE2-CD1 3.64Å; Y192-W203 AromaticContact CE2-CG 3.98Å; Y192-W203 HydrophobicContact CE2-CG 3.98Å; Y192-W203 HydrophobicContact CG-CB 4.33Å; Y192-W203 AromaticContact CZ-CD1 3.68Å; Y192-W203 AromaticContact CZ-CG 3.53Å; Y192-W203 PolarHBondContact N-O 3.42Å; Y192-W203 PolarHBondContact O-N 3.08Å; Y192-L205 HydrophobicContact CD1-CD2 3.6Å; Y192-L205 HydrophobicContact CD1-CG 4.23Å; Y192-L205 HydrophobicContact CE1-CD2 4.13Å; Y192-L205 HydrophobicContact CG-CD2 4.48Å
193	M	98.3	Very high	97.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	154	175.2	70.4	177.9	-178	0	0	111.3	I183 S184 I200 N201 A232 F234 F242	I183-M193 VanDerWaalsContact CA-O 3.31Å; I183-M193 WeakPolarHBondContact CA-O 3.36Å; S184-M193 PolarHBondContact N-O 2.91Å; S184-M193 PolarHBondContact O-N 2.96Å; M193-I200 HydrophobicContact CB-CG2 4.11Å; M193-I200 HydrophobicContact CG-CG2 4.38Å; M193-I200 HydrophobicContact SD-CG2 3.87Å; M193-N201 CarbonylContact C-O 3.57Å; M193-N201 WeakPolarHBondContact CA-O 3.5Å; M193-N201 WeakPolarHBondContact CB-O 3.31Å; M193-A232 VanDerWaalsContact CE-C 3.45Å; M193-A232 HydrophobicContact CE-CB 3.75Å; M193-F234 HydrophobicContact CB-CD2 4.33Å; M193-F234 HydrophobicContact CB-CE2 3.51Å; M193-F234 HydrophobicContact CB-CZ 3.93Å; M193-F234 HydrophobicContact CE-CD2 4.24Å; M193-F234 HydrophobicContact CE-CG 4.35Å; M193-F234 HydrophobicContact CG-CD2 3.72Å; M193-F234 HydrophobicContact CG-CE2 3.4Å; M193-F234 HydrophobicContact CG-CZ 4.03Å; M193-F234 HydrophobicContact SD-CD2 4.04Å; M193-F234 HydrophobicContact SD-CE1 4.35Å; M193-F234 HydrophobicContact SD-CE2 3.85Å; M193-F234 HydrophobicContact SD-CG 4.39Å; M193-F234 HydrophobicContact SD-CZ 3.98Å; M193-F242 HydrophobicContact CE-CB 4.12Å; M193-F242 HydrophobicContact SD-CB 4.11Å; M193-F242 HydrophobicContact SD-CD2 4.09Å; M193-F242 HydrophobicContact SD-CG 4.16Å
194	S	98.7	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.9	167.4	56.8	0	0	0	0	109.9	H176 S182 I200 N201 W203	H176-S194 PolarHBondContact CE1-O 3.29Å; H176-S194 WeakPolarHBondContact NE2-CB 3.28Å; H176-S194 PolarHBondContact NE2-OG 2.66Å; S182-S194 CarbonylContact O-C 3.59Å; S182-S194 VanDerWaalsContact O-CA 3.27Å; S182-S194 WeakPolarHBondContact O-CA 3.42Å; S194-I200 WeakPolarHBondContact O-CA 3.34Å; S194-N201 PolarHBondContact N-O 2.89Å; S194-N201 PolarHBondContact O-N 2.86Å; S194-W203 PolarHBondContact OG-NE1 3.35Å
195	A	98.6	Very high	97.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.6	178.8	0	0	0	0	0	110.4	I180 N181 S182 R199 I200 I229 A232	I180-A195 CarbonylContact C-O 3.58Å; I180-A195 WeakPolarHBondContact CA-O 3.43Å; N181-A195 PolarHBondContact N-O 2.8Å; N181-A195 PolarHBondContact OD1-O 3.41Å; S182-A195 PolarHBondContact N-O 2.77Å; S182-A195 PolarHBondContact O-N 3.41Å; A195-R199 CarbonylContact C-O 3.56Å; A195-R199 WeakPolarHBondContact CA-O 3.3Å; A195-I200 HydrophobicContact CB-CD1 4.42Å; A195-I200 HydrophobicContact CB-CG1 3.84Å; A195-I200 HydrophobicContact CB-CG2 4.45Å; A195-I229 HydrophobicContact CB-CG2 4.29Å; A195-A232 HydrophobicContact CB-CB 3.76Å
196	D	97.8	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.			trans	-106.4	-169.1	163.8	69.6	33.4	0	0	0	110.8	H176 H179 N181 L198 R199 I229	H176-D196 HydrophobicContact CB-CB 4.47Å; H176-D196 IonicContact CE1-OD2 2.76Å; H176-D196 IonicContact CG-OD2 2.68Å; H176-D196 WeakPolarHBondContact ND1-CB 3.26Å; H176-D196 VanDerWaalsContact ND1-CG 3.31Å; H176-D196 IonicContact ND1-OD2 3.15Å; H176-D196 PolarHBondContact ND1-OD2 3.03Å; H179-D196 VanDerWaalsContact O-CA 3.23Å; H179-D196 WeakPolarHBondContact O-CA 3.47Å; H179-D196 WeakPolarHBondContact O-CB 3.4Å; N181-D196 VanDerWaalsContact ND2-C 3.26Å; N181-D196 PolarHBondContact ND2-O 2.96Å; N181-D196 VanDerWaalsContact ND2-O 3.15Å; D196-L198 PolarHBondContact O-N 2.79Å; D196-L198 PolarHBondContact OD1-N 2.91Å; D196-R199 PolarHBondContact N-O 2.98Å; D196-R199 WeakPolarHBondContact OD1-CB 3.23Å; D196-R199 PolarHBondContact OD1-N 3.31Å; D196-I229 WeakPolarHBondContact O-CB 3.07Å
197	D	97.1	Very high	97.7	Very high	37 Å²	37	35.1 Å²	35.1	20%	0.198	17%	0.17	C	C	.	.	S	Bend	trans	-61.6	-21.9	-176.5	-56.6	-47.7	0	0	0	114.1	Y178 H179 V228 I229	Y178-D197 WeakPolarHBondContact CB-OD2 3.35Å; Y178-D197 HydrophobicContact CG-CB 4.44Å; H179-D197 IonicContact CD2-OD2 3.02Å; H179-D197 PolarHBondContact N-OD2 2.73Å; D197-V228 HydrophobicContact CB-CB 4.39Å; D197-V228 HydrophobicContact CB-CG1 4.49Å; D197-V228 CarbonylContact O-C 3.59Å; D197-V228 VanDerWaalsContact O-CA 3.31Å; D197-V228 WeakPolarHBondContact O-CA 2.99Å; D197-V228 WeakPolarHBondContact O-CB 3.16Å; D197-I229 PolarHBondContact O-N 2.91Å
198	L	97.4	Very high	97.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	-134.6	-11.6	-176.5	-60.3	180	0	0	0	114.7	Y178 D196 I217 K218 M222 L225 V228	Y178-L198 HydrophobicContact CD2-CB 4.07Å; Y178-L198 HydrophobicContact CD2-CD1 4.15Å; Y178-L198 HydrophobicContact CD2-CG 4.2Å; Y178-L198 HydrophobicContact CE1-CD1 4.11Å; Y178-L198 HydrophobicContact CE2-CB 4.05Å; Y178-L198 HydrophobicContact CE2-CD1 3.56Å; Y178-L198 HydrophobicContact CE2-CG 4.09Å; D196-L198 PolarHBondContact O-N 2.79Å; D196-L198 PolarHBondContact OD1-N 2.91Å; L198-I217 HydrophobicContact CB-CG1 4.3Å; L198-I217 HydrophobicContact CD2-CD1 4.22Å; L198-I217 HydrophobicContact CD2-CG1 4.07Å; L198-I217 VanDerWaalsContact O-CG1 3.3Å; L198-I217 WeakPolarHBondContact O-CG1 3.43Å; L198-I217 PolarHBondContact O-N 2.76Å; L198-K218 HydrophobicContact CB-CB 4.4Å; L198-K218 HydrophobicContact CD1-CB 4.14Å; L198-K218 HydrophobicContact CD1-CG 4.19Å; L198-M222 HydrophobicContact CD1-CE 4.4Å; L198-M222 HydrophobicContact CD1-SD 4.33Å; L198-L225 HydrophobicContact CD1-CD1 4.44Å; L198-L225 HydrophobicContact CD2-CD1 3.53Å; L198-V228 HydrophobicContact CD2-CG1 4.09Å
199	R	97.4	Very high	97.6	Very high	64 Å²	64	39 Å²	39	24%	0.242	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.3	-171.5	-72.4	178.8	173.7	-171.8	-10	112.9	A195 D196 V215 D216	A195-R199 CarbonylContact C-O 3.56Å; A195-R199 WeakPolarHBondContact CA-O 3.3Å; D196-R199 PolarHBondContact N-O 2.98Å; D196-R199 WeakPolarHBondContact OD1-CB 3.23Å; D196-R199 PolarHBondContact OD1-N 3.31Å; R199-V215 VanDerWaalsContact CA-O 3.26Å; R199-V215 WeakPolarHBondContact CA-O 3.43Å; R199-D216 HydrophobicContact CG-CB 4.28Å; R199-D216 WeakPolarHBondContact CG-OD1 3.45Å; R199-D216 IonicContact CZ-OD2 3.89Å; R199-D216 VanDerWaalsContact CZ-OD2 3.29Å; R199-D216 VanDerWaalsContact NE-CG 3.29Å; R199-D216 IonicContact NE-OD1 3.83Å; R199-D216 PolarHBondContact NE-OD1 3.32Å; R199-D216 VanDerWaalsContact NE-OD1 3.13Å; R199-D216 IonicContact NE-OD2 2.75Å; R199-D216 PolarHBondContact NE-OD2 3.18Å; R199-D216 IonicContact NH2-OD1 2.73Å; R199-D216 IonicContact NH2-OD2 3.44Å; R199-D216 PolarHBondContact NH2-OD2 2.91Å
200	I	98.4	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.8	168.8	-50.1	-178.4	0	0	0	108.6	M193 S194 A195 N213 I214 V215 I229 A232 F242 Y244	M193-I200 HydrophobicContact CB-CG2 4.11Å; M193-I200 HydrophobicContact CG-CG2 4.38Å; M193-I200 HydrophobicContact SD-CG2 3.87Å; S194-I200 WeakPolarHBondContact O-CA 3.34Å; A195-I200 HydrophobicContact CB-CD1 4.42Å; A195-I200 HydrophobicContact CB-CG1 3.84Å; A195-I200 HydrophobicContact CB-CG2 4.45Å; I200-N213 PolarHBondContact O-ND2 3Å; I200-I214 HydrophobicContact CB-CG1 4.07Å; I200-I214 HydrophobicContact CG2-CD1 3.93Å; I200-I214 HydrophobicContact CG2-CG1 3.94Å; I200-I214 WeakPolarHBondContact O-CG1 3.46Å; I200-I214 PolarHBondContact O-N 2.49Å; I200-V215 HydrophobicContact CB-CB 3.92Å; I200-V215 HydrophobicContact CB-CG2 4.25Å; I200-V215 HydrophobicContact CD1-CB 4.13Å; I200-V215 HydrophobicContact CD1-CG1 4.5Å; I200-V215 HydrophobicContact CD1-CG2 4.06Å; I200-V215 HydrophobicContact CG1-CB 3.94Å; I200-V215 HydrophobicContact CG1-CG1 4.46Å; I200-V215 HydrophobicContact CG1-CG2 4.34Å; I200-V215 PolarHBondContact N-O 3.29Å; I200-V215 PolarHBondContact O-N 3.03Å; I200-I229 HydrophobicContact CD1-CD1 4.17Å; I200-I229 HydrophobicContact CG1-CD1 3.81Å; I200-A232 HydrophobicContact CD1-CB 4.08Å; I200-F242 HydrophobicContact CD1-CD2 4.47Å; I200-F242 HydrophobicContact CD1-CE2 3.92Å; I200-Y244 HydrophobicContact CD1-CD1 3.89Å; I200-Y244 HydrophobicContact CD1-CG 3.87Å
201	N	98.4	Very high	97.7	Very high	5 Å²	5	37 Å²	37	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.9	179.6	-65.2	-34.1	0	0	0	109.9	A175 H176 M193 S194 F212 N213	A175-N201 PolarHBondContact O-ND2 2.86Å; A175-N201 VanDerWaalsContact O-ND2 3.15Å; H176-N201 PolarHBondContact CE1-ND2 2.76Å; H176-N201 PolarHBondContact NE2-ND2 2.8Å; M193-N201 CarbonylContact C-O 3.57Å; M193-N201 WeakPolarHBondContact CA-O 3.5Å; M193-N201 WeakPolarHBondContact CB-O 3.31Å; S194-N201 PolarHBondContact N-O 2.89Å; S194-N201 PolarHBondContact O-N 2.86Å; N201-F212 CarbonylContact C-O 3.55Å; N201-F212 WeakPolarHBondContact CA-O 3.3Å; N201-N213 WeakPolarHBondContact OD1-CA 3.42Å; N201-N213 WeakPolarHBondContact OD1-CB 3.3Å; N201-N213 PolarHBondContact OD1-ND2 3.04Å
202	L	98.4	Very high	97.7	Very high	30 Å²	30	40.8 Å²	40.8	16%	0.157	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.2	170.5	-173.4	73.6	0	0	0	109.9	S211 F212 I214 F234 M256	L202-S211 WeakPolarHBondContact O-CA 3.34Å; L202-F212 PolarHBondContact N-O 2.88Å; L202-F212 PolarHBondContact O-N 2.78Å; L202-I214 HydrophobicContact CB-CD1 4.47Å; L202-I214 HydrophobicContact CB-CG2 3.94Å; L202-F234 HydrophobicContact CD1-CE2 4.34Å; L202-F234 HydrophobicContact CD1-CZ 3.78Å; L202-M256 HydrophobicContact CD1-CE 4.14Å; L202-M256 HydrophobicContact CD2-CE 3.62Å; L202-M256 HydrophobicContact CG-CE 4.47Å
203	W	98.6	Very high	97.6	Very high	6 Å²	6	42.9 Å²	42.9	2%	0.023	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.2	-179.7	-59.6	86.2	0	0	0	110.1	I119 F172 A175 T191 Y192 S194	I119-W203 HydrophobicContact CD1-CZ2 4.37Å; F172-W203 HydrophobicContact CB-CD2 4.39Å; F172-W203 HydrophobicContact CB-CE3 3.99Å; F172-W203 HydrophobicContact CB-CH2 3.87Å; F172-W203 HydrophobicContact CB-CZ2 4.28Å; F172-W203 HydrophobicContact CB-CZ3 3.74Å; F172-W203 HydrophobicContact CD1-CD2 4.23Å; F172-W203 AromaticContact CD1-CE3 3.58Å; F172-W203 HydrophobicContact CD1-CE3 3.58Å; F172-W203 AromaticContact CD1-CZ3 3.98Å; F172-W203 HydrophobicContact CD1-CZ3 3.98Å; F172-W203 HydrophobicContact CE1-CE3 4.5Å; F172-W203 HydrophobicContact CG-CE3 4.2Å; F172-W203 HydrophobicContact CG-CZ3 4.36Å; A175-W203 HydrophobicContact CB-CH2 3.29Å; A175-W203 HydrophobicContact CB-CZ2 3.26Å; A175-W203 HydrophobicContact CB-CZ3 4.45Å; T191-W203 CarbonylContact C-O 3.59Å; T191-W203 WeakPolarHBondContact CA-O 3.37Å; T191-W203 WeakPolarHBondContact CB-O 3.09Å; Y192-W203 HydrophobicContact CD1-CB 3.72Å; Y192-W203 HydrophobicContact CE1-CB 3.29Å; Y192-W203 AromaticContact CE1-CG 3.87Å; Y192-W203 HydrophobicContact CE1-CG 3.87Å; Y192-W203 HydrophobicContact CE2-CB 4.17Å; Y192-W203 AromaticContact CE2-CD1 3.64Å; Y192-W203 AromaticContact CE2-CG 3.98Å; Y192-W203 HydrophobicContact CE2-CG 3.98Å; Y192-W203 HydrophobicContact CG-CB 4.33Å; Y192-W203 AromaticContact CZ-CD1 3.68Å; Y192-W203 AromaticContact CZ-CG 3.53Å; Y192-W203 PolarHBondContact N-O 3.42Å; Y192-W203 PolarHBondContact O-N 3.08Å; S194-W203 PolarHBondContact OG-NE1 3.35Å
204	H	98.4	Very high	97.5	Very high	61 Å²	61	43 Å²	43	28%	0.282	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.5	161.2	-169.1	-35.9	0	0	0	108.1	E190 D206 I207	E190-H204 PolarHBondContact O-ND1 2.84Å; E190-H204 VanDerWaalsContact O-ND1 3.16Å; H204-D206 PolarHBondContact ND1-N 2.77Å; H204-D206 VanDerWaalsContact ND1-N 3.18Å; H204-D206 PolarHBondContact O-N 2.94Å; H204-I207 HydrophobicContact CB-CB 4.15Å; H204-I207 HydrophobicContact CB-CD1 4.15Å; H204-I207 HydrophobicContact CB-CG1 4.12Å; H204-I207 PolarHBondContact O-N 3.08Å
205	L	97.2	Very high	97.5	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.079	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.5	178.6	-71.9	170.1	0	0	0	113.7	L102 R170 F172 E190 Y192	L102-L205 HydrophobicContact CD2-CD1 3.74Å; L102-L205 HydrophobicContact CD2-CD2 3.95Å; L102-L205 HydrophobicContact CD2-CG 4.49Å; R170-L205 WeakPolarHBondContact CD-O 3.37Å; R170-L205 PolarHBondContact NE-O 3.17Å; R170-L205 VanDerWaalsContact NE-O 3.11Å; F172-L205 WeakPolarHBondContact CZ-O 3.45Å; E190-L205 WeakPolarHBondContact O-CB 3.45Å; E190-L205 WeakPolarHBondContact O-CG 3.25Å; E190-L205 PolarHBondContact O-N 2.94Å; Y192-L205 HydrophobicContact CD1-CD2 3.6Å; Y192-L205 HydrophobicContact CD1-CG 4.23Å; Y192-L205 HydrophobicContact CE1-CD2 4.13Å; Y192-L205 HydrophobicContact CG-CD2 4.48Å
206	D	97.1	Very high	97.4	Very high	98 Å²	98	46.2 Å²	46.2	52%	0.524	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-1	-177.7	-72.6	-32.8	0	0	0	115.5	R170 H204	R170-D206 IonicContact CZ-OD1 3.2Å; R170-D206 IonicContact NE-OD1 3.29Å; R170-D206 PolarHBondContact NE-OD1 2.85Å; R170-D206 PolarHBondContact NH1-O 2.83Å; R170-D206 VanDerWaalsContact NH2-CG 3.29Å; R170-D206 IonicContact NH2-OD1 2.75Å; R170-D206 PolarHBondContact NH2-OD1 2.93Å; H204-D206 PolarHBondContact ND1-N 2.77Å; H204-D206 VanDerWaalsContact ND1-N 3.18Å; H204-D206 PolarHBondContact O-N 2.94Å
207	I	97.6	Very high	97.2	Very high	58 Å²	58	48.5 Å²	48.5	30%	0.297	24%	0.239	S	C	.	.			trans	-125.6	113.8	-174.7	-56.5	179.7	0	0	0	108.8	F172 H204 D209 R210	F172-I207 WeakPolarHBondContact CE1-O 3.45Å; H204-I207 HydrophobicContact CB-CB 4.15Å; H204-I207 HydrophobicContact CB-CD1 4.15Å; H204-I207 HydrophobicContact CB-CG1 4.12Å; H204-I207 PolarHBondContact O-N 3.08Å; I207-D209 WeakPolarHBondContact CG2-OD1 3.42Å; I207-R210 HydrophobicContact CG2-CB 4.34Å
208	T	97.1	Very high	97.2	Very high	55 Å²	55	51.1 Å²	51.1	34%	0.337	25%	0.249	S	C	.	.			trans	-104.5	-16	-174	61.1	0	0	0	0	113.9	R170 V171 F172	R170-T208 HydrophobicContact CB-CG2 3.8Å; R170-T208 HydrophobicContact CG-CG2 4.2Å; V171-T208 WeakPolarHBondContact O-CB 3.45Å; F172-T208 HydrophobicContact CD1-CG2 3.94Å; F172-T208 HydrophobicContact CE1-CG2 3.83Å; F172-T208 HydrophobicContact CZ-CG2 4.31Å
209	D	95.1	Very high	97	Very high	114 Å²	114	52.3 Å²	52.3	61%	0.61	26%	0.257	S	S	*	.	S	Bend	trans	-88.7	-11.8	-174.2	64.3	-45.7	0	0	0	113.2	I207	I207-D209 WeakPolarHBondContact CG2-OD1 3.42Å
210	R	95.9	Very high	96.8	Very high	165 Å²	165	55 Å²	55	62%	0.623	29%	0.293	S	S	*	.			trans	-143.4	139.9	-176.1	-69.5	171.9	-73.6	163.1	6.3	110.6	I207	I207-R210 HydrophobicContact CG2-CB 4.34Å
211	S	97.3	Very high	96.6	Very high	45 Å²	45	58.1 Å²	58.1	32%	0.315	31%	0.309	S	S	.	.			trans	-130.3	158.2	165.8	63.8	0	0	0	0	109.2	A175 L202	A175-S211 WeakPolarHBondContact CB-OG 3.48Å; L202-S211 WeakPolarHBondContact O-CA 3.34Å
212	F	97.7	Very high	96.3	Very high	100 Å²	100	61.9 Å²	61.9	44%	0.439	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.2	177	-179.8	-120.5	0	0	0	109.6	N201 L202 I214 A260 L261	N201-F212 CarbonylContact C-O 3.55Å; N201-F212 WeakPolarHBondContact CA-O 3.3Å; L202-F212 PolarHBondContact N-O 2.88Å; L202-F212 PolarHBondContact O-N 2.78Å; F212-I214 HydrophobicContact CD1-CG2 3.44Å; F212-I214 VanDerWaalsContact CD1-CG2 3.44Å; F212-I214 HydrophobicContact CE1-CG2 3.65Å; F212-I214 HydrophobicContact CG-CG2 4.47Å; F212-I214 PolarHBondContact O-N 2.93Å; F212-A260 VanDerWaalsContact CE1-O 3.27Å; F212-A260 WeakPolarHBondContact CE1-O 3.33Å; F212-A260 HydrophobicContact CZ-CB 4.49Å; F212-L261 HydrophobicContact CE2-CD2 4.37Å; F212-L261 HydrophobicContact CZ-CD2 3.88Å
213	N	97.3	Very high	96.1	Very high	44 Å²	44	68.3 Å²	68.3	24%	0.235	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	116.3	176.1	179.9	-101.5	0	0	0	109.7	I200 N201 V215 D216	I200-N213 PolarHBondContact O-ND2 3Å; N201-N213 WeakPolarHBondContact OD1-CA 3.42Å; N201-N213 WeakPolarHBondContact OD1-CB 3.3Å; N201-N213 PolarHBondContact OD1-ND2 3.04Å; N213-V215 PolarHBondContact ND2-O 3.09Å; N213-V215 PolarHBondContact OD1-O 2.81Å; N213-D216 WeakPolarHBondContact OD1-CB 3.35Å
214	I	97.3	Very high	95.8	Very high	3 Å²	3	73 Å²	73	2%	0.015	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-23.8	-177.6	56.6	171.6	0	0	0	112.6	I200 L202 F212 F242 C262	I200-I214 HydrophobicContact CB-CG1 4.07Å; I200-I214 HydrophobicContact CG2-CD1 3.93Å; I200-I214 HydrophobicContact CG2-CG1 3.94Å; I200-I214 WeakPolarHBondContact O-CG1 3.46Å; I200-I214 PolarHBondContact O-N 2.49Å; L202-I214 HydrophobicContact CB-CD1 4.47Å; L202-I214 HydrophobicContact CB-CG2 3.94Å; F212-I214 HydrophobicContact CD1-CG2 3.44Å; F212-I214 VanDerWaalsContact CD1-CG2 3.44Å; F212-I214 HydrophobicContact CE1-CG2 3.65Å; F212-I214 HydrophobicContact CG-CG2 4.47Å; F212-I214 PolarHBondContact O-N 2.93Å; I214-F242 HydrophobicContact CD1-CD1 4.39Å; I214-F242 HydrophobicContact CD1-CE1 3.76Å; I214-F242 HydrophobicContact CD1-CE2 4.39Å; I214-F242 HydrophobicContact CD1-CZ 3.75Å; I214-F242 HydrophobicContact CG1-CZ 4.4Å; I214-C262 WeakPolarHBondContact O-CA 3.4Å; I214-C262 WeakPolarHBondContact O-CB 3.32Å; I214-C262 PolarHBondContact O-N 2.82Å
215	V	97.4	Very high	95.6	Very high	2 Å²	2	73.1 Å²	73.1	1%	0.012	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.3	174.8	179	0	0	0	0	108.6	R199 I200 N213 I217 I229 F242 Y244 C262	R199-V215 VanDerWaalsContact CA-O 3.26Å; R199-V215 WeakPolarHBondContact CA-O 3.43Å; I200-V215 HydrophobicContact CB-CB 3.92Å; I200-V215 HydrophobicContact CB-CG2 4.25Å; I200-V215 HydrophobicContact CD1-CB 4.13Å; I200-V215 HydrophobicContact CD1-CG1 4.5Å; I200-V215 HydrophobicContact CD1-CG2 4.06Å; I200-V215 HydrophobicContact CG1-CB 3.94Å; I200-V215 HydrophobicContact CG1-CG1 4.46Å; I200-V215 HydrophobicContact CG1-CG2 4.34Å; I200-V215 PolarHBondContact N-O 3.29Å; I200-V215 PolarHBondContact O-N 3.03Å; N213-V215 PolarHBondContact ND2-O 3.09Å; N213-V215 PolarHBondContact OD1-O 2.81Å; V215-I217 HydrophobicContact CG1-CG2 3.98Å; V215-I229 HydrophobicContact CG1-CD1 4.33Å; V215-F242 HydrophobicContact CG2-CE2 3.96Å; V215-F242 HydrophobicContact CG2-CZ 3.75Å; V215-Y244 HydrophobicContact CG1-CE1 4.22Å; V215-Y244 HydrophobicContact CG2-CE1 4.29Å; V215-C262 HydrophobicContact CG2-CB 3.9Å
216	D	95.9	Very high	95.4	Very high	67 Å²	67	76.9 Å²	76.9	36%	0.358	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	104	169.9	-164.9	0.4	0	0	0	108.8	R199 N213 K218	R199-D216 HydrophobicContact CG-CB 4.28Å; R199-D216 WeakPolarHBondContact CG-OD1 3.45Å; R199-D216 IonicContact CZ-OD2 3.89Å; R199-D216 VanDerWaalsContact CZ-OD2 3.29Å; R199-D216 VanDerWaalsContact NE-CG 3.29Å; R199-D216 IonicContact NE-OD1 3.83Å; R199-D216 PolarHBondContact NE-OD1 3.32Å; R199-D216 VanDerWaalsContact NE-OD1 3.13Å; R199-D216 IonicContact NE-OD2 2.75Å; R199-D216 PolarHBondContact NE-OD2 3.18Å; R199-D216 IonicContact NH2-OD1 2.73Å; R199-D216 IonicContact NH2-OD2 3.44Å; R199-D216 PolarHBondContact NH2-OD2 2.91Å; N213-D216 WeakPolarHBondContact OD1-CB 3.35Å; D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 WeakPolarHBondContact OD1-CB 3.34Å; D216-K218 PolarHBondContact OD1-N 3.06Å
217	I	95.2	Very high	95.3	Very high	48 Å²	48	73.8 Å²	73.8	25%	0.246	39%	0.391	C	S	.	.			trans	-96.3	11	175.7	64.7	159.3	0	0	0	112.1	L198 V215 P219 I229	L198-I217 HydrophobicContact CB-CG1 4.3Å; L198-I217 HydrophobicContact CD2-CD1 4.22Å; L198-I217 HydrophobicContact CD2-CG1 4.07Å; L198-I217 VanDerWaalsContact O-CG1 3.3Å; L198-I217 WeakPolarHBondContact O-CG1 3.43Å; L198-I217 PolarHBondContact O-N 2.76Å; V215-I217 HydrophobicContact CG1-CG2 3.98Å; I217-P219 WeakPolarHBondContact O-CD 3.13Å; I217-I229 HydrophobicContact CD1-CD1 4.31Å; I217-I229 HydrophobicContact CD1-CG1 3.71Å; I217-I229 HydrophobicContact CG1-CD1 4.19Å; I217-I229 HydrophobicContact CG1-CG1 4.15Å
218	K	95.3	Very high	95.2	Very high	91 Å²	91	73 Å²	73	40%	0.396	39%	0.389	S	S	.	.			trans	-61.1	123.2	179.4	178.9	178.9	172.3	173	0	110.6	L198 D216 M222	L198-K218 HydrophobicContact CB-CB 4.4Å; L198-K218 HydrophobicContact CD1-CB 4.14Å; L198-K218 HydrophobicContact CD1-CG 4.19Å; D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 WeakPolarHBondContact OD1-CB 3.34Å; D216-K218 PolarHBondContact OD1-N 3.06Å; K218-M222 HydrophobicContact CG-SD 4.37Å
219	P	93.9	Very high	95.3	Very high	28 Å²	28	70.4 Å²	70.4	18%	0.182	37%	0.373	C	S	.	.			trans	-68.9	156.1	175.6	31.4	-37	0	0	0	111	I217 N221 D224 L225	I217-P219 WeakPolarHBondContact O-CD 3.13Å; P219-N221 VanDerWaalsContact C-N 3.27Å; P219-N221 WeakPolarHBondContact CB-O 3.26Å; P219-N221 VanDerWaalsContact CG-O 3.23Å; P219-N221 WeakPolarHBondContact CG-O 3.4Å; P219-N221 PolarHBondContact O-N 3.13Å; P219-D224 HydrophobicContact CB-CB 4.32Å; P219-L225 HydrophobicContact CG-CB 4.17Å; P219-L225 HydrophobicContact CG-CD1 4.27Å
220	A	93.2	Very high	95.5	Very high	120 Å²	120	65.4 Å²	65.4	99%	0.992	35%	0.346	S	S	*	.	S	Bend	trans	-61	-39	176.5	0	0	0	0	0	111.8
221	N	93.9	Very high	95.6	Very high	65 Å²	65	57.7 Å²	57.7	35%	0.348	32%	0.318	S	S	.	.	S	Bend	trans	-111	127.8	169.3	-174	2.2	0	0	0	109.5	P219 E223 D224	P219-N221 VanDerWaalsContact C-N 3.27Å; P219-N221 WeakPolarHBondContact CB-O 3.26Å; P219-N221 VanDerWaalsContact CG-O 3.23Å; P219-N221 WeakPolarHBondContact CG-O 3.4Å; P219-N221 PolarHBondContact O-N 3.13Å; N221-E223 PolarHBondContact ND2-OE2 3.47Å; N221-E223 PolarHBondContact O-N 2.96Å; N221-E223 PolarHBondContact OD1-N 2.85Å; N221-D224 WeakPolarHBondContact O-CB 3.32Å; N221-D224 PolarHBondContact O-N 3.32Å
222	M	92.5	Very high	95.6	Very high	84 Å²	84	55.9 Å²	55.9	41%	0.414	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-64.2	-20.8	178.4	-76.5	-63.9	-57.7	0	0	113	Y178 L198 K218 D224 L225	Y178-M222 HydrophobicContact CE1-CE 4.4Å; L198-M222 HydrophobicContact CD1-CE 4.4Å; L198-M222 HydrophobicContact CD1-SD 4.33Å; K218-M222 HydrophobicContact CG-SD 4.37Å; M222-D224 PolarHBondContact O-N 2.67Å; M222-L225 HydrophobicContact CE-CD2 4.02Å; M222-L225 WeakPolarHBondContact O-CB 3.4Å; M222-L225 PolarHBondContact O-N 2.85Å
223	E	93.4	Very high	95.7	Very high	166 Å²	166	52.4 Å²	52.4	78%	0.776	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-67.5	-24	173.6	-62.6	175.7	157.3	0	0	112.6	N221 L225	N221-E223 PolarHBondContact ND2-OE2 3.47Å; N221-E223 PolarHBondContact O-N 2.96Å; N221-E223 PolarHBondContact OD1-N 2.85Å; E223-L225 PolarHBondContact O-N 2.74Å
224	D	93	Very high	95.7	Very high	104 Å²	104	50.6 Å²	50.6	56%	0.556	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-86.4	10.7	177.3	-59.9	-34.8	0	0	0	112.2	P219 N221 M222 T226	P219-D224 HydrophobicContact CB-CB 4.32Å; N221-D224 WeakPolarHBondContact O-CB 3.32Å; N221-D224 PolarHBondContact O-N 3.32Å; M222-D224 PolarHBondContact O-N 2.67Å; D224-T226 PolarHBondContact O-N 2.89Å; D224-T226 VanDerWaalsContact O-N 3.11Å
225	L	93.9	Very high	95.8	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.335	28%	0.282	S	S	.	.			trans	-67.6	112	179.8	-179	64.7	0	0	0	110.2	L198 P219 M222 E223 E227 V228	L198-L225 HydrophobicContact CD1-CD1 4.44Å; L198-L225 HydrophobicContact CD2-CD1 3.53Å; P219-L225 HydrophobicContact CG-CB 4.17Å; P219-L225 HydrophobicContact CG-CD1 4.27Å; M222-L225 HydrophobicContact CE-CD2 4.02Å; M222-L225 WeakPolarHBondContact O-CB 3.4Å; M222-L225 PolarHBondContact O-N 2.85Å; E223-L225 PolarHBondContact O-N 2.74Å; L225-E227 VanDerWaalsContact CD1-O 3.27Å; L225-E227 WeakPolarHBondContact CD1-O 3.17Å; L225-V228 HydrophobicContact CD1-CG1 4.27Å; L225-V228 HydrophobicContact CD2-CG1 4.2Å
226	T	93	Very high	95.7	Very high	94 Å²	94	53.3 Å²	53.3	58%	0.577	30%	0.299	S	S	*	.			trans	-117.1	-12.7	178.1	66.7	0	0	0	0	113.6	D224 K248	D224-T226 PolarHBondContact O-N 2.89Å; D224-T226 VanDerWaalsContact O-N 3.11Å; T226-K248 WeakPolarHBondContact O-CE 3.41Å; T226-K248 PolarHBondContact OG1-NZ 3.18Å
227	E	94.6	Very high	95.8	Very high	33 Å²	33	55.6 Å²	55.6	15%	0.154	31%	0.31	C	S	.	.			trans	-147.5	138	-171.1	-172	173.7	-171.4	0	0	110.3	L225 S246 K248 T250 R252	L225-E227 VanDerWaalsContact CD1-O 3.27Å; L225-E227 WeakPolarHBondContact CD1-O 3.17Å; E227-S246 WeakPolarHBondContact OE1-CB 3.23Å; E227-S246 PolarHBondContact OE1-OG 2.97Å; E227-K248 HydrophobicContact CB-CD 4.14Å; E227-K248 HydrophobicContact CB-CG 4.47Å; E227-K248 HydrophobicContact CG-CB 4.5Å; E227-K248 HydrophobicContact CG-CD 4.24Å; E227-K248 HydrophobicContact CG-CG 4.28Å; E227-T250 PolarHBondContact OE1-OG1 2.62Å; E227-R252 VanDerWaalsContact CD-NH2 3.3Å; E227-R252 IonicContact OE1-CZ 3.11Å; E227-R252 IonicContact OE1-NH1 3.81Å; E227-R252 PolarHBondContact OE1-NH1 3.31Å; E227-R252 IonicContact OE1-NH2 2.77Å; E227-R252 PolarHBondContact OE1-NH2 3.25Å; E227-R252 IonicContact OE2-CZ 2.81Å; E227-R252 IonicContact OE2-NH1 3.47Å; E227-R252 IonicContact OE2-NH2 3.92Å; E227-R252 PolarHBondContact OE2-NH2 2.71Å
228	V	97.2	Very high	95.9	Very high	40 Å²	40	57.8 Å²	57.8	24%	0.242	32%	0.319	C	S	.	.			trans	-127.2	150.9	174.3	-62.4	0	0	0	0	110.4	D197 L198 L225 T230 S246 S247	D197-V228 HydrophobicContact CB-CB 4.39Å; D197-V228 HydrophobicContact CB-CG1 4.49Å; D197-V228 CarbonylContact O-C 3.59Å; D197-V228 VanDerWaalsContact O-CA 3.31Å; D197-V228 WeakPolarHBondContact O-CA 2.99Å; D197-V228 WeakPolarHBondContact O-CB 3.16Å; L198-V228 HydrophobicContact CD2-CG1 4.09Å; L225-V228 HydrophobicContact CD1-CG1 4.27Å; L225-V228 HydrophobicContact CD2-CG1 4.2Å; V228-T230 HydrophobicContact CG2-CG2 4.45Å; V228-S246 CarbonylContact O-C 3.6Å; V228-S246 WeakPolarHBondContact O-CA 3.38Å; V228-S247 WeakPolarHBondContact CG2-OG 3.5Å; V228-S247 PolarHBondContact N-OG 2.81Å; V228-S247 VanDerWaalsContact N-OG 3.13Å; V228-S247 PolarHBondContact O-N 3.46Å
229	I	98.3	Very high	96	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.5	171.2	-61.4	170.5	0	0	0	108.2	N181 A195 D196 D197 I200 V215 I217 Y244 S245	N181-I229 PolarHBondContact ND2-O 2.76Å; N181-I229 VanDerWaalsContact ND2-O 3.13Å; A195-I229 HydrophobicContact CB-CG2 4.29Å; D196-I229 WeakPolarHBondContact O-CB 3.07Å; D197-I229 PolarHBondContact O-N 2.91Å; I200-I229 HydrophobicContact CD1-CD1 4.17Å; I200-I229 HydrophobicContact CG1-CD1 3.81Å; V215-I229 HydrophobicContact CG1-CD1 4.33Å; I217-I229 HydrophobicContact CD1-CD1 4.31Å; I217-I229 HydrophobicContact CD1-CG1 3.71Å; I217-I229 HydrophobicContact CG1-CD1 4.19Å; I217-I229 HydrophobicContact CG1-CG1 4.15Å; I229-Y244 HydrophobicContact CD1-CD2 4.31Å; I229-Y244 HydrophobicContact CG1-CD2 3.88Å; I229-Y244 HydrophobicContact CG1-CE2 4.15Å; I229-Y244 HydrophobicContact CG2-CD2 4.35Å; I229-S245 WeakPolarHBondContact CA-O 3.45Å
230	T	98.2	Very high	96.2	Very high	9 Å²	9	54.9 Å²	54.9	6%	0.055	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-33	-176.3	53.9	0	0	0	0	113.7	V228 S245 V288	V228-T230 HydrophobicContact CG2-CG2 4.45Å; T230-S245 PolarHBondContact N-O 3.1Å; T230-S245 PolarHBondContact OG1-O 3.42Å; T230-S245 PolarHBondContact OG1-OG 3.21Å; T230-V288 WeakPolarHBondContact CB-O 3.24Å; T230-V288 PolarHBondContact OG1-O 3.27Å
231	A	98.4	Very high	96.4	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.033	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	152.5	175.7	0	0	0	0	0	110.4	S182 Y244 S245 V291	S182-A231 VanDerWaalsContact OG-CA 3.3Å; S182-A231 WeakPolarHBondContact OG-CA 3.34Å; A231-Y244 CarbonylContact O-C 3.58Å; A231-Y244 VanDerWaalsContact O-CA 3.24Å; A231-Y244 WeakPolarHBondContact O-CA 3.43Å; A231-S245 WeakPolarHBondContact CB-OG 3.3Å; A231-S245 PolarHBondContact N-OG 2.81Å; A231-S245 PolarHBondContact O-N 3.32Å; A231-S245 PolarHBondContact O-OG 2.85Å; A231-V291 HydrophobicContact CB-CG1 3.74Å
232	A	98.5	Very high	96.6	Very high	7 Å²	7	47.4 Å²	47.4	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	140.7	174.8	0	0	0	0	0	111.8	S182 M193 A195 I200 V243	S182-A232 WeakPolarHBondContact CB-O 3.12Å; S182-A232 PolarHBondContact OG-N 2.85Å; M193-A232 VanDerWaalsContact CE-C 3.45Å; M193-A232 HydrophobicContact CE-CB 3.75Å; A195-A232 HydrophobicContact CB-CB 3.76Å; I200-A232 HydrophobicContact CD1-CB 4.08Å; A232-V243 CarbonylContact C-O 3.59Å; A232-V243 VanDerWaalsContact CA-O 3.25Å; A232-V243 WeakPolarHBondContact CA-O 3.43Å
233	E	98.5	Very high	96.9	Very high	26 Å²	26	43.4 Å²	43.4	12%	0.121	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	142.9	178.6	-160	172.8	-128.3	0	0	112.4	F242 V243 K292 F293	E233-F242 WeakPolarHBondContact O-CA 3.23Å; E233-F242 WeakPolarHBondContact O-CB 3.37Å; E233-V243 PolarHBondContact N-O 3.35Å; E233-V243 PolarHBondContact O-N 2.88Å; E233-K292 VanDerWaalsContact OE1-CD 3.3Å; E233-K292 WeakPolarHBondContact OE1-CD 3.3Å; E233-K292 IonicContact OE1-NZ 3.75Å; E233-K292 PolarHBondContact OE1-NZ 3.05Å; E233-K292 VanDerWaalsContact OE2-CA 3.23Å; E233-K292 WeakPolarHBondContact OE2-CA 3.27Å; E233-F293 HydrophobicContact CB-CD2 4.29Å; E233-F293 HydrophobicContact CG-CD2 4.37Å; E233-F293 WeakPolarHBondContact O-CE2 3.44Å; E233-F293 PolarHBondContact OE2-N 3.01Å
234	F	98.6	Very high	97.1	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	149.8	171	-89.3	-62.7	0	0	0	110.6	S184 N186 M193 L202 F242 M256 F293	S184-F234 WeakPolarHBondContact O-CD2 3.34Å; S184-F234 PolarHBondContact OG-N 3.05Å; N186-F234 HydrophobicContact CB-CD2 3.92Å; N186-F234 HydrophobicContact CB-CE2 3.86Å; N186-F234 HydrophobicContact CB-CG 4.31Å; N186-F234 HydrophobicContact CB-CZ 4.24Å; M193-F234 HydrophobicContact CB-CD2 4.33Å; M193-F234 HydrophobicContact CB-CE2 3.51Å; M193-F234 HydrophobicContact CB-CZ 3.93Å; M193-F234 HydrophobicContact CE-CD2 4.24Å; M193-F234 HydrophobicContact CE-CG 4.35Å; M193-F234 HydrophobicContact CG-CD2 3.72Å; M193-F234 HydrophobicContact CG-CE2 3.4Å; M193-F234 HydrophobicContact CG-CZ 4.03Å; M193-F234 HydrophobicContact SD-CD2 4.04Å; M193-F234 HydrophobicContact SD-CE1 4.35Å; M193-F234 HydrophobicContact SD-CE2 3.85Å; M193-F234 HydrophobicContact SD-CG 4.39Å; M193-F234 HydrophobicContact SD-CZ 3.98Å; L202-F234 HydrophobicContact CD1-CE2 4.34Å; L202-F234 HydrophobicContact CD1-CZ 3.78Å; F234-F242 HydrophobicContact CD1-CB 3.64Å; F234-F242 HydrophobicContact CE1-CB 3.93Å; F234-F242 HydrophobicContact CE1-CD1 4.25Å; F234-F242 HydrophobicContact CE1-CG 4.4Å; F234-F242 HydrophobicContact CG-CB 4.34Å; F234-M256 HydrophobicContact CE1-SD 3.85Å; F234-M256 HydrophobicContact CZ-SD 4.36Å; F234-F293 VanDerWaalsContact O-CD2 3.28Å; F234-F293 WeakPolarHBondContact O-CD2 3.37Å
235	H	98.4	Very high	97.4	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.032	17%	0.171	C	C	.	.			trans	-66.1	134.3	170.8	-172.6	-79.6	0	0	0	110.1	L237 H238 L241 F293 G297	H235-L237 PolarHBondContact ND1-N 3.15Å; H235-L237 VanDerWaalsContact ND1-N 3.1Å; H235-L237 PolarHBondContact O-N 3.46Å; H235-L237 VanDerWaalsContact O-N 3.09Å; H235-H238 HydrophobicContact CB-CB 4.15Å; H235-H238 AromaticContact CE1-CD2 3.26Å; H235-H238 PolarHBondContact CE1-CD2 2.89Å; H235-H238 AromaticContact CE1-CG 3.87Å; H235-H238 WeakPolarHBondContact ND1-CB 3.48Å; H235-H238 AromaticContact ND1-CD2 3.54Å; H235-H238 AromaticContact ND1-CG 3.71Å; H235-H238 PolarHBondContact ND1-N 3.13Å; H235-H238 AromaticContact NE2-CD2 3.69Å; H235-L241 HydrophobicContact CB-CB 3.74Å; H235-L241 VanDerWaalsContact CB-O 3.3Å; H235-L241 WeakPolarHBondContact CB-O 3.46Å; H235-L241 PolarHBondContact N-O 3.14Å; H235-F293 HydrophobicContact CB-CE1 4.36Å; H235-F293 HydrophobicContact CB-CE2 4.28Å; H235-F293 HydrophobicContact CB-CZ 4.1Å; H235-F293 AromaticContact CD2-CD1 3.8Å; H235-F293 AromaticContact CD2-CE1 3.52Å; H235-G297 WeakPolarHBondContact NE2-CA 3.39Å; H235-G297 PolarHBondContact NE2-O 3.02Å
236	P	96.5	Very high	97.5	Very high	56 Å²	56	27.8 Å²	27.8	36%	0.364	16%	0.155	S	C	.	.	S	Bend	trans	-63.7	-23.5	-172.4	23.3	-34.6	0	0	0	114	S187 F293	S187-P236 WeakPolarHBondContact CB-O 3.47Å; P236-F293 HydrophobicContact CG-CB 4.22Å
237	L	96.6	Very high	97.7	Very high	114 Å²	114	24.6 Å²	24.6	60%	0.597	14%	0.137	S	C	*	.	S	Bend	trans	-120.1	-17.4	-175.8	-55.6	174.5	0	0	0	115.3	H235	H235-L237 PolarHBondContact ND1-N 3.15Å; H235-L237 VanDerWaalsContact ND1-N 3.1Å; H235-L237 PolarHBondContact O-N 3.46Å; H235-L237 VanDerWaalsContact O-N 3.09Å
238	H	97.7	Very high	97.6	Very high	94 Å²	94	26.6 Å²	26.6	44%	0.435	15%	0.145	S	C	.	.			trans	-119	102.9	-168.4	-71.3	-47.3	0	0	0	108.4	H235 N240 L241	H235-H238 HydrophobicContact CB-CB 4.15Å; H235-H238 AromaticContact CE1-CD2 3.26Å; H235-H238 PolarHBondContact CE1-CD2 2.89Å; H235-H238 AromaticContact CE1-CG 3.87Å; H235-H238 WeakPolarHBondContact ND1-CB 3.48Å; H235-H238 AromaticContact ND1-CD2 3.54Å; H235-H238 AromaticContact ND1-CG 3.71Å; H235-H238 PolarHBondContact ND1-N 3.13Å; H235-H238 AromaticContact NE2-CD2 3.69Å; H238-N240 PolarHBondContact O-N 2.87Å; H238-L241 HydrophobicContact CB-CB 4.13Å; H238-L241 HydrophobicContact CB-CD1 3.88Å; H238-L241 HydrophobicContact CB-CG 3.99Å; H238-L241 PolarHBondContact O-N 3.29Å
239	C	97.4	Very high	97.5	Very high	48 Å²	48	25.7 Å²	25.7	32%	0.324	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.6	-169.9	61.8	0	0	0	0	115.4	N186 S187 D188	N186-C239 PolarHBondContact ND2-O 3.47Å; N186-C239 WeakPolarHBondContact OD1-CA 3.44Å; N186-C239 WeakPolarHBondContact OD1-CB 3.46Å; N186-C239 PolarHBondContact OD1-O 2.96Å; S187-C239 VanDerWaalsContact OG-CA 3.3Å; S187-C239 WeakPolarHBondContact OG-CA 3.43Å; S187-C239 PolarHBondContact OG-N 3.3Å; D188-C239 HydrophobicContact CB-CB 4.09Å
240	N	97.4	Very high	97.4	Very high	11 Å²	11	26.5 Å²	26.5	6%	0.059	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-11.7	179.4	59.7	-67.4	0	0	0	113.8	H238 D255 M256 R257	H238-N240 PolarHBondContact O-N 2.87Å; N240-D255 PolarHBondContact ND2-OD1 2.74Å; N240-D255 PolarHBondContact ND2-OD2 3.46Å; N240-D255 VanDerWaalsContact ND2-OD2 3.16Å; N240-M256 HydrophobicContact CB-CB 4.39Å; N240-M256 WeakPolarHBondContact O-CB 3.41Å; N240-M256 WeakPolarHBondContact O-CG 3.37Å; N240-M256 PolarHBondContact O-N 2.9Å; N240-R257 HydrophobicContact CB-CG 3.72Å; N240-R257 VanDerWaalsContact OD1-CZ 3.28Å; N240-R257 PolarHBondContact OD1-NH2 3.27Å
241	L	98.1	Very high	97.4	Very high	27 Å²	27	26.1 Å²	26.1	14%	0.141	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.8	-174.6	-63.3	-177.7	0	0	0	110.8	H235 H238 C254 D255	H235-L241 HydrophobicContact CB-CB 3.74Å; H235-L241 VanDerWaalsContact CB-O 3.3Å; H235-L241 WeakPolarHBondContact CB-O 3.46Å; H235-L241 PolarHBondContact N-O 3.14Å; H238-L241 HydrophobicContact CB-CB 4.13Å; H238-L241 HydrophobicContact CB-CD1 3.88Å; H238-L241 HydrophobicContact CB-CG 3.99Å; H238-L241 PolarHBondContact O-N 3.29Å; L241-C254 WeakPolarHBondContact CA-O 3.49Å; L241-D255 HydrophobicContact CD2-CB 3.7Å
242	F	98.4	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.8	168.4	69.6	-86.3	0	0	0	110.2	M193 I200 I214 V215 E233 F234 Y244 L253 C254 M256 C262	M193-F242 HydrophobicContact CE-CB 4.12Å; M193-F242 HydrophobicContact SD-CB 4.11Å; M193-F242 HydrophobicContact SD-CD2 4.09Å; M193-F242 HydrophobicContact SD-CG 4.16Å; I200-F242 HydrophobicContact CD1-CD2 4.47Å; I200-F242 HydrophobicContact CD1-CE2 3.92Å; I214-F242 HydrophobicContact CD1-CD1 4.39Å; I214-F242 HydrophobicContact CD1-CE1 3.76Å; I214-F242 HydrophobicContact CD1-CE2 4.39Å; I214-F242 HydrophobicContact CD1-CZ 3.75Å; I214-F242 HydrophobicContact CG1-CZ 4.4Å; V215-F242 HydrophobicContact CG2-CE2 3.96Å; V215-F242 HydrophobicContact CG2-CZ 3.75Å; E233-F242 WeakPolarHBondContact O-CA 3.23Å; E233-F242 WeakPolarHBondContact O-CB 3.37Å; F234-F242 HydrophobicContact CD1-CB 3.64Å; F234-F242 HydrophobicContact CE1-CB 3.93Å; F234-F242 HydrophobicContact CE1-CD1 4.25Å; F234-F242 HydrophobicContact CE1-CG 4.4Å; F234-F242 HydrophobicContact CG-CB 4.34Å; F242-Y244 HydrophobicContact CE2-CD1 4.05Å; F242-L253 WeakPolarHBondContact O-CA 3.43Å; F242-C254 HydrophobicContact CD1-CB 4.04Å; F242-C254 HydrophobicContact CD2-CB 4.36Å; F242-C254 HydrophobicContact CE1-CB 3.48Å; F242-C254 VanDerWaalsContact CE1-CB 3.48Å; F242-C254 HydrophobicContact CE2-CB 3.84Å; F242-C254 HydrophobicContact CG-CB 4.44Å; F242-C254 HydrophobicContact CZ-CB 3.37Å; F242-C254 PolarHBondContact N-O 3.18Å; F242-C254 PolarHBondContact O-N 2.82Å; F242-M256 HydrophobicContact CD1-CG 3.93Å; F242-M256 HydrophobicContact CD1-SD 4.07Å; F242-M256 HydrophobicContact CE1-CG 3.72Å; F242-M256 HydrophobicContact CE1-SD 4.25Å; F242-C262 HydrophobicContact CE1-CB 4.2Å; F242-C262 HydrophobicContact CZ-CB 3.83Å
243	V	98.5	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.5	175.2	71.8	0	0	0	0	109.6	A232 E233 L251 R252 L253 V291 F293 L300	A232-V243 CarbonylContact C-O 3.59Å; A232-V243 VanDerWaalsContact CA-O 3.25Å; A232-V243 WeakPolarHBondContact CA-O 3.43Å; E233-V243 PolarHBondContact N-O 3.35Å; E233-V243 PolarHBondContact O-N 2.88Å; V243-L251 HydrophobicContact CG2-CB 4.2Å; V243-R252 WeakPolarHBondContact CA-O 3.31Å; V243-L253 HydrophobicContact CB-CD1 4.18Å; V243-V291 HydrophobicContact CG1-CG1 4.08Å; V243-V291 HydrophobicContact CG1-CG2 3.73Å; V243-V291 HydrophobicContact CG2-CG2 4.43Å; V243-F293 HydrophobicContact CB-CE2 4.05Å; V243-F293 HydrophobicContact CB-CZ 3.95Å; V243-F293 HydrophobicContact CG1-CD2 4.25Å; V243-F293 HydrophobicContact CG1-CE2 3.51Å; V243-F293 HydrophobicContact CG1-CZ 3.87Å; V243-L300 HydrophobicContact CB-CD2 4.43Å; V243-L300 HydrophobicContact CG1-CD2 3.98Å; V243-L300 HydrophobicContact CG2-CD1 4.13Å
244	Y	98.5	Very high	97.3	Very high	6 Å²	6	26.3 Å²	26.3	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145	161.2	70.1	-87	0	0	0	111.2	I200 V215 I229 A231 F242 R252	I200-Y244 HydrophobicContact CD1-CD1 3.89Å; I200-Y244 HydrophobicContact CD1-CG 3.87Å; V215-Y244 HydrophobicContact CG1-CE1 4.22Å; V215-Y244 HydrophobicContact CG2-CE1 4.29Å; I229-Y244 HydrophobicContact CD1-CD2 4.31Å; I229-Y244 HydrophobicContact CG1-CD2 3.88Å; I229-Y244 HydrophobicContact CG1-CE2 4.15Å; I229-Y244 HydrophobicContact CG2-CD2 4.35Å; A231-Y244 CarbonylContact O-C 3.58Å; A231-Y244 VanDerWaalsContact O-CA 3.24Å; A231-Y244 WeakPolarHBondContact O-CA 3.43Å; F242-Y244 HydrophobicContact CE2-CD1 4.05Å; Y244-R252 HydrophobicContact CD1-CB 4.09Å; Y244-R252 HydrophobicContact CE1-CB 3.65Å; Y244-R252 HydrophobicContact CE2-CB 4.19Å; Y244-R252 VanDerWaalsContact CZ-CD 3.49Å; Y244-R252 PolarHBondContact N-O 3.02Å; Y244-R252 PolarHBondContact O-N 2.6Å; Y244-R252 WeakPolarHBondContact OH-CD 3.46Å
245	S	98.1	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	165.3	176.6	65.3	0	0	0	0	111.3	I229 T230 A231 T250 V288	I229-S245 WeakPolarHBondContact CA-O 3.45Å; T230-S245 PolarHBondContact N-O 3.1Å; T230-S245 PolarHBondContact OG1-O 3.42Å; T230-S245 PolarHBondContact OG1-OG 3.21Å; A231-S245 WeakPolarHBondContact CB-OG 3.3Å; A231-S245 PolarHBondContact N-OG 2.81Å; A231-S245 PolarHBondContact O-N 3.32Å; A231-S245 PolarHBondContact O-OG 2.85Å; S245-T250 WeakPolarHBondContact CA-O 3.05Å; S245-V288 VanDerWaalsContact CB-CG1 3.49Å
246	S	96.7	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	164.5	-177.9	63.2	0	0	0	0	114	E227 V228 K248 G249 T250 V288	E227-S246 WeakPolarHBondContact OE1-CB 3.23Å; E227-S246 PolarHBondContact OE1-OG 2.97Å; V228-S246 CarbonylContact O-C 3.6Å; V228-S246 WeakPolarHBondContact O-CA 3.38Å; S246-K248 PolarHBondContact O-N 2.79Å; S246-K248 PolarHBondContact OG-N 2.95Å; S246-G249 PolarHBondContact O-N 2.9Å; S246-T250 PolarHBondContact N-O 2.85Å; S246-T250 PolarHBondContact OG-N 2.79Å; S246-T250 VanDerWaalsContact OG-N 3.09Å; S246-T250 PolarHBondContact OG-O 3.01Å; S246-T250 VanDerWaalsContact OG-O 3.05Å; S246-T250 PolarHBondContact OG-OG1 3.3Å; S246-V288 PolarHBondContact O-N 2.82Å
247	S	96	Very high	97.2	Very high	28 Å²	28	35.5 Å²	35.5	20%	0.196	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12	171.1	59.7	0	0	0	0	114.3	V228 S287	V228-S247 WeakPolarHBondContact CG2-OG 3.5Å; V228-S247 PolarHBondContact N-OG 2.81Å; V228-S247 VanDerWaalsContact N-OG 3.13Å; V228-S247 PolarHBondContact O-N 3.46Å; S247-S287 WeakPolarHBondContact CA-OG 3.43Å; S247-S287 VanDerWaalsContact O-CA 3.3Å; S247-S287 WeakPolarHBondContact O-CA 3.3Å; S247-S287 WeakPolarHBondContact O-CB 3.41Å
248	K	94.3	Very high	97.1	Very high	75 Å²	75	35.9 Å²	35.9	33%	0.326	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	6	176.3	-75.8	-173.4	164.3	164.8	0	113.9	T226 E227 S246 T250	T226-K248 WeakPolarHBondContact O-CE 3.41Å; T226-K248 PolarHBondContact OG1-NZ 3.18Å; E227-K248 HydrophobicContact CB-CD 4.14Å; E227-K248 HydrophobicContact CB-CG 4.47Å; E227-K248 HydrophobicContact CG-CB 4.5Å; E227-K248 HydrophobicContact CG-CD 4.24Å; E227-K248 HydrophobicContact CG-CG 4.28Å; S246-K248 PolarHBondContact O-N 2.79Å; S246-K248 PolarHBondContact OG-N 2.95Å; K248-T250 VanDerWaalsContact C-N 3.33Å; K248-T250 PolarHBondContact O-N 3.42Å
249	G	94.6	Very high	96.8	Very high	21 Å²	21	33.5 Å²	33.5	22%	0.216	17%	0.171	C	C	.	.	S	Bend	trans	77.8	14.7	179.3	0	0	0	0	0	115.3	S246 S286	S246-G249 PolarHBondContact O-N 2.9Å; G249-S286 WeakPolarHBondContact CA-O 3.31Å; G249-S286 PolarHBondContact N-O 3.15Å
250	T	95.5	Very high	96.4	Very high	18 Å²	18	34.7 Å²	34.7	11%	0.11	19%	0.185	C	C	.	.			trans	-98.1	147.4	176.7	73	0	0	0	0	111.5	E227 S245 S246 K248 R252	E227-T250 PolarHBondContact OE1-OG1 2.62Å; S245-T250 WeakPolarHBondContact CA-O 3.05Å; S246-T250 PolarHBondContact N-O 2.85Å; S246-T250 PolarHBondContact OG-N 2.79Å; S246-T250 VanDerWaalsContact OG-N 3.09Å; S246-T250 PolarHBondContact OG-O 3.01Å; S246-T250 VanDerWaalsContact OG-O 3.05Å; S246-T250 PolarHBondContact OG-OG1 3.3Å; K248-T250 VanDerWaalsContact C-N 3.33Å; K248-T250 PolarHBondContact O-N 3.42Å; T250-R252 PolarHBondContact OG1-NH1 3.07Å; T250-R252 PolarHBondContact OG1-NH2 2.77Å
251	L	98	Very high	96.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.6	173.1	-35.9	166.8	0	0	0	109.4	V243 F269 V288 L300 T302 W311	V243-L251 HydrophobicContact CG2-CB 4.2Å; L251-F269 HydrophobicContact CB-CB 4Å; L251-F269 HydrophobicContact CB-CD2 4.34Å; L251-F269 HydrophobicContact CD1-CB 4.02Å; L251-F269 HydrophobicContact CG-CB 4.25Å; L251-F269 PolarHBondContact N-O 2.98Å; L251-F269 VanDerWaalsContact N-O 3.1Å; L251-F269 PolarHBondContact O-N 2.85Å; L251-V288 HydrophobicContact CD2-CG1 4.29Å; L251-V288 HydrophobicContact CD2-CG2 4.02Å; L251-L300 HydrophobicContact CD1-CD1 4.38Å; L251-T302 HydrophobicContact CD1-CG2 3.29Å; L251-T302 HydrophobicContact CD2-CG2 3.67Å; L251-T302 HydrophobicContact CG-CG2 4.1Å; L251-W311 HydrophobicContact CD1-CD2 4.34Å; L251-W311 HydrophobicContact CD1-CG 4.26Å
252	R	97.9	Very high	95.8	Very high	33 Å²	33	37.4 Å²	37.4	13%	0.125	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.1	-179.4	-72.3	178.1	-169.3	100.7	-2.8	109.2	E227 V243 Y244 T250 H265 L268	E227-R252 VanDerWaalsContact CD-NH2 3.3Å; E227-R252 IonicContact OE1-CZ 3.11Å; E227-R252 IonicContact OE1-NH1 3.81Å; E227-R252 PolarHBondContact OE1-NH1 3.31Å; E227-R252 IonicContact OE1-NH2 2.77Å; E227-R252 PolarHBondContact OE1-NH2 3.25Å; E227-R252 IonicContact OE2-CZ 2.81Å; E227-R252 IonicContact OE2-NH1 3.47Å; E227-R252 IonicContact OE2-NH2 3.92Å; E227-R252 PolarHBondContact OE2-NH2 2.71Å; V243-R252 WeakPolarHBondContact CA-O 3.31Å; Y244-R252 HydrophobicContact CD1-CB 4.09Å; Y244-R252 HydrophobicContact CE1-CB 3.65Å; Y244-R252 HydrophobicContact CE2-CB 4.19Å; Y244-R252 VanDerWaalsContact CZ-CD 3.49Å; Y244-R252 PolarHBondContact N-O 3.02Å; Y244-R252 PolarHBondContact O-N 2.6Å; Y244-R252 WeakPolarHBondContact OH-CD 3.46Å; T250-R252 PolarHBondContact OG1-NH1 3.07Å; T250-R252 PolarHBondContact OG1-NH2 2.77Å; R252-H265 HydrophobicContact CB-CB 3.82Å; R252-H265 HydrophobicContact CG-CB 3.94Å; R252-L268 HydrophobicContact CG-CD1 3.7Å
253	L	98.1	Very high	94.9	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.2	171.3	-172.3	79.4	0	0	0	108.4	F242 V243 S266 K267 F269 F293 L313	F242-L253 WeakPolarHBondContact O-CA 3.43Å; V243-L253 HydrophobicContact CB-CD1 4.18Å; L253-S266 PolarHBondContact O-N 2.85Å; L253-K267 HydrophobicContact CB-CB 4.15Å; L253-K267 HydrophobicContact CD2-CD 3.99Å; L253-K267 HydrophobicContact CD2-CG 4.47Å; L253-K267 PolarHBondContact N-O 3.02Å; L253-K267 PolarHBondContact O-N 3.4Å; L253-K267 VanDerWaalsContact O-N 3.12Å; L253-F269 HydrophobicContact CB-CE2 3.9Å; L253-F293 HydrophobicContact CD1-CE1 4.32Å; L253-F293 HydrophobicContact CD1-CZ 3.84Å; L253-L313 HydrophobicContact CD1-CD2 4.4Å; L253-L313 HydrophobicContact CD2-CD2 4.33Å
254	C	98	Very high	94.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.4	-178.4	-61.4	0	0	0	0	110.2	L241 F242 C262	L241-C254 WeakPolarHBondContact CA-O 3.49Å; F242-C254 HydrophobicContact CD1-CB 4.04Å; F242-C254 HydrophobicContact CD2-CB 4.36Å; F242-C254 HydrophobicContact CE1-CB 3.48Å; F242-C254 VanDerWaalsContact CE1-CB 3.48Å; F242-C254 HydrophobicContact CE2-CB 3.84Å; F242-C254 HydrophobicContact CG-CB 4.44Å; F242-C254 HydrophobicContact CZ-CB 3.37Å; F242-C254 PolarHBondContact N-O 3.18Å; F242-C254 PolarHBondContact O-N 2.82Å; C254-C262 HydrophobicContact CB-CB 3.97Å
255	D	97.3	Very high	93.9	Very high	34 Å²	34	53.9 Å²	53.9	18%	0.182	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	110.4	171.9	-171.1	-19.8	0	0	0	110	N240 L241 R257 E258	N240-D255 PolarHBondContact ND2-OD1 2.74Å; N240-D255 PolarHBondContact ND2-OD2 3.46Å; N240-D255 VanDerWaalsContact ND2-OD2 3.16Å; L241-D255 HydrophobicContact CD2-CB 3.7Å; D255-R257 PolarHBondContact O-N 2.91Å; D255-R257 VanDerWaalsContact O-N 3.09Å; D255-R257 VanDerWaalsContact OD1-CB 3.28Å; D255-R257 WeakPolarHBondContact OD1-CB 3.37Å; D255-R257 PolarHBondContact OD1-N 3.34Å; D255-E258 HydrophobicContact CB-CG 3.96Å; D255-E258 WeakPolarHBondContact O-CB 3.42Å; D255-E258 PolarHBondContact O-N 2.81Å
256	M	97	Very high	93.6	Very high	48 Å²	48	56.1 Å²	56.1	24%	0.236	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.8	-179.7	-61.7	172.7	68.8	0	0	113.6	L202 F234 N240 F242	L202-M256 HydrophobicContact CD1-CE 4.14Å; L202-M256 HydrophobicContact CD2-CE 3.62Å; L202-M256 HydrophobicContact CG-CE 4.47Å; F234-M256 HydrophobicContact CE1-SD 3.85Å; F234-M256 HydrophobicContact CZ-SD 4.36Å; N240-M256 HydrophobicContact CB-CB 4.39Å; N240-M256 WeakPolarHBondContact O-CB 3.41Å; N240-M256 WeakPolarHBondContact O-CG 3.37Å; N240-M256 PolarHBondContact O-N 2.9Å; F242-M256 HydrophobicContact CD1-CG 3.93Å; F242-M256 HydrophobicContact CD1-SD 4.07Å; F242-M256 HydrophobicContact CE1-CG 3.72Å; F242-M256 HydrophobicContact CE1-SD 4.25Å
257	R	96.3	Very high	93.6	Very high	181 Å²	181	58.5 Å²	58.5	68%	0.683	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-24.9	173.3	-64.9	172.2	-179	168.2	3.9	112.6	N240 D255	N240-R257 HydrophobicContact CB-CG 3.72Å; N240-R257 VanDerWaalsContact OD1-CZ 3.28Å; N240-R257 PolarHBondContact OD1-NH2 3.27Å; D255-R257 PolarHBondContact O-N 2.91Å; D255-R257 VanDerWaalsContact O-N 3.09Å; D255-R257 VanDerWaalsContact OD1-CB 3.28Å; D255-R257 WeakPolarHBondContact OD1-CB 3.37Å; D255-R257 PolarHBondContact OD1-N 3.34Å
258	E	95.3	Very high	93.7	Very high	121 Å²	121	59.1 Å²	59.1	57%	0.565	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-41.5	180	-71.3	-178.7	-169	0	0	111	D255 S266	D255-E258 HydrophobicContact CB-CG 3.96Å; D255-E258 WeakPolarHBondContact O-CB 3.42Å; D255-E258 PolarHBondContact O-N 2.81Å; E258-S266 WeakPolarHBondContact OE1-CB 3.48Å; E258-S266 PolarHBondContact OE1-OG 3Å
259	A	91.7	Very high	93.9	Very high	44 Å²	44	55.5 Å²	55.5	36%	0.364	29%	0.289	S	S	.	.			trans	-153.7	150.8	178.5	0	0	0	0	0	111.5	L261	A259-L261 VanDerWaalsContact C-N 3.29Å; A259-L261 WeakPolarHBondContact CB-O 3.48Å; A259-L261 PolarHBondContact O-N 2.93Å
260	A	88.7	Confident	93.8	Very high	74 Å²	74	59.5 Å²	59.5	61%	0.612	30%	0.301	S	S	*	.	S	Bend	trans	-64.4	-36.9	174.1	0	0	0	0	0	111.8	F212	F212-A260 VanDerWaalsContact CE1-O 3.27Å; F212-A260 WeakPolarHBondContact CE1-O 3.33Å; F212-A260 HydrophobicContact CZ-CB 4.49Å
261	L	91.6	Very high	93.5	Very high	91 Å²	91	63 Å²	63	48%	0.476	32%	0.316	S	S	.	.	S	Bend	trans	-98.1	124.4	170.4	-58.5	177.1	0	0	0	107.4	F212 A259 D263	F212-L261 HydrophobicContact CE2-CD2 4.37Å; F212-L261 HydrophobicContact CZ-CD2 3.88Å; A259-L261 VanDerWaalsContact C-N 3.29Å; A259-L261 WeakPolarHBondContact CB-O 3.48Å; A259-L261 PolarHBondContact O-N 2.93Å; L261-D263 PolarHBondContact O-N 3.17Å
262	C	91	Very high	92.8	Very high	4 Å²	4	68.2 Å²	68.2	3%	0.027	35%	0.35	C	S	.	.			trans	-89.2	42.8	176.8	-61	0	0	0	0	110.2	I214 V215 F242 C254 K264	I214-C262 WeakPolarHBondContact O-CA 3.4Å; I214-C262 WeakPolarHBondContact O-CB 3.32Å; I214-C262 PolarHBondContact O-N 2.82Å; V215-C262 HydrophobicContact CG2-CB 3.9Å; F242-C262 HydrophobicContact CE1-CB 4.2Å; F242-C262 HydrophobicContact CZ-CB 3.83Å; C254-C262 HydrophobicContact CB-CB 3.97Å; C262-K264 PolarHBondContact O-N 2.67Å
263	D	79.8	Confident	91.8	Very high	113 Å²	113	71.3 Å²	71.3	60%	0.604	37%	0.367	S	S	*	.			trans	-68.8	-24.5	178.2	63	-24.6	0	0	0	112	L261	L261-D263 PolarHBondContact O-N 3.17Å
264	K	84.9	Confident	90.8	Very high	163 Å²	163	75.5 Å²	75.5	71%	0.709	39%	0.389	S	S	*	.	S	Bend	trans	-102.8	139.2	166.2	-63.6	-179.1	-176.7	176.4	0	110.3	C262	C262-K264 PolarHBondContact O-N 2.67Å
265	H	90.6	Very high	89.9	Confident	75 Å²	75	81 Å²	81	35%	0.347	43%	0.425	S	S	.	.			trans	-81.8	142.7	169.4	54.8	-93.7	0	0	0	109.7	R252	R252-H265 HydrophobicContact CB-CB 3.82Å; R252-H265 HydrophobicContact CG-CB 3.94Å
266	S	93.4	Very high	89	Confident	47 Å²	47	84.2 Å²	84.2	33%	0.329	45%	0.45	S	S	.	.	S	Bend	trans	-73.9	-39.3	171.7	-175.6	0	0	0	0	109.9	L253 E258	L253-S266 PolarHBondContact O-N 2.85Å; E258-S266 WeakPolarHBondContact OE1-CB 3.48Å; E258-S266 PolarHBondContact OE1-OG 3Å
267	K	96.6	Very high	87.9	Confident	51 Å²	51	85.1 Å²	85.1	22%	0.222	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.5	176	-58.1	-179.1	165.3	179.8	0	111.9	L253 F269 L313 E316	L253-K267 HydrophobicContact CB-CB 4.15Å; L253-K267 HydrophobicContact CD2-CD 3.99Å; L253-K267 HydrophobicContact CD2-CG 4.47Å; L253-K267 PolarHBondContact N-O 3.02Å; L253-K267 PolarHBondContact O-N 3.4Å; L253-K267 VanDerWaalsContact O-N 3.12Å; K267-F269 HydrophobicContact CB-CE2 3.8Å; K267-F269 HydrophobicContact CB-CZ 4.27Å; K267-F269 HydrophobicContact CD-CZ 4.25Å; K267-L313 PolarHBondContact NZ-O 3.04Å; K267-E316 HydrophobicContact CB-CG 4.03Å; K267-E316 HydrophobicContact CD-CG 4.29Å; K267-E316 WeakPolarHBondContact CD-OE1 3.43Å; K267-E316 VanDerWaalsContact CE-OE1 3.25Å; K267-E316 WeakPolarHBondContact CE-OE1 3.35Å; K267-E316 HydrophobicContact CG-CG 4.45Å; K267-E316 WeakPolarHBondContact CG-OE1 3.45Å; K267-E316 IonicContact NZ-OE1 3.86Å
268	L	97.1	Very high	87.2	Confident	40 Å²	40	83.7 Å²	83.7	21%	0.209	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.5	175.3	179.9	65.6	0	0	0	109.4	R252 E270 E316	R252-L268 HydrophobicContact CG-CD1 3.7Å; L268-E270 HydrophobicContact CD2-CG 4.4Å; L268-E270 WeakPolarHBondContact CD2-OE2 3.42Å; L268-E270 HydrophobicContact CG-CG 4.34Å; L268-E316 WeakPolarHBondContact O-CB 3.17Å
269	F	97.6	Very high	86.7	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.7	174.5	-57.2	-102.9	0	0	0	108.3	L251 L253 K267 L300 W311 L313 E316	L251-F269 HydrophobicContact CB-CB 4Å; L251-F269 HydrophobicContact CB-CD2 4.34Å; L251-F269 HydrophobicContact CD1-CB 4.02Å; L251-F269 HydrophobicContact CG-CB 4.25Å; L251-F269 PolarHBondContact N-O 2.98Å; L251-F269 VanDerWaalsContact N-O 3.1Å; L251-F269 PolarHBondContact O-N 2.85Å; L253-F269 HydrophobicContact CB-CE2 3.9Å; K267-F269 HydrophobicContact CB-CE2 3.8Å; K267-F269 HydrophobicContact CB-CZ 4.27Å; K267-F269 HydrophobicContact CD-CZ 4.25Å; F269-L300 HydrophobicContact CE2-CD1 4.4Å; F269-W311 HydrophobicContact CB-CD2 4.35Å; F269-W311 HydrophobicContact CB-CE3 3.9Å; F269-W311 HydrophobicContact CB-CH2 4.47Å; F269-W311 HydrophobicContact CB-CZ3 3.96Å; F269-W311 HydrophobicContact CD1-CB 4.3Å; F269-W311 HydrophobicContact CD1-CD2 4.44Å; F269-W311 AromaticContact CD1-CE3 3.9Å; F269-W311 HydrophobicContact CD1-CE3 3.9Å; F269-W311 HydrophobicContact CG-CE3 4.39Å; F269-L313 HydrophobicContact CZ-CD2 3.94Å; F269-E316 WeakPolarHBondContact CA-O 3.33Å; F269-E316 HydrophobicContact CD1-CB 4.41Å; F269-E316 HydrophobicContact CD1-CG 4.23Å; F269-E316 HydrophobicContact CE1-CG 3.94Å; F269-E316 HydrophobicContact CE2-CG 4.44Å; F269-E316 HydrophobicContact CZ-CG 4.05Å
270	E	93.6	Very high	86.5	Confident	104 Å²	104	85.1 Å²	85.1	49%	0.486	46%	0.463	S	S	.	.			trans	-143.5	142.3	179.2	61.5	179.2	-164.9	0	0	109.9	L268 E316 S317	L268-E270 HydrophobicContact CD2-CG 4.4Å; L268-E270 WeakPolarHBondContact CD2-OE2 3.42Å; L268-E270 HydrophobicContact CG-CG 4.34Å; E270-E316 PolarHBondContact N-O 3.36Å; E270-S317 CarbonylContact O-C 3.52Å
271	E	88.7	Confident	86.6	Confident	91 Å²	91	83.6 Å²	83.6	43%	0.425	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-100.4	124.2	174.2	-174	172.4	-164.9	0	0	108.1	E273 K309 W311	E271-E273 PolarHBondContact O-N 2.89Å; E271-E273 VanDerWaalsContact O-N 3.08Å; E271-K309 IonicContact OE2-NZ 2.7Å; E271-K309 PolarHBondContact OE2-NZ 2.85Å; E271-W311 HydrophobicContact CB-CH2 4.15Å
272	P	83.3	Confident	86.6	Confident	111 Å²	111	79.7 Å²	79.7	72%	0.721	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-59.9	116.1	176.6	-21.1	30.8	0	0	0	110.3	S317	P272-S317 WeakPolarHBondContact CD-O 3.23Å
273	E	78.2	Confident	86.5	Confident	99 Å²	99	83.6 Å²	83.6	46%	0.463	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-85	130.2	175.3	-145.2	-174.8	-174.8	0	0	109.7	E271 P275 S282	E271-E273 PolarHBondContact O-N 2.89Å; E271-E273 VanDerWaalsContact O-N 3.08Å; E273-P275 VanDerWaalsContact O-CD 3.28Å; E273-P275 WeakPolarHBondContact O-CD 3.48Å; E273-S282 VanDerWaalsContact OE1-CB 3.24Å; E273-S282 WeakPolarHBondContact OE1-CB 3.4Å; E273-S282 PolarHBondContact OE1-OG 2.92Å; E273-S282 VanDerWaalsContact OE1-OG 3.11Å
274	D	76.2	Confident	87.2	Confident	94 Å²	94	79.9 Å²	79.9	50%	0.503	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-66.7	118.6	173.9	-176.1	-19.9	0	0	0	109.1	S276 A277 R278	D274-S276 PolarHBondContact O-N 2.86Å; D274-S276 WeakPolarHBondContact OD1-CB 3.4Å; D274-S276 PolarHBondContact OD1-N 2.94Å; D274-S276 PolarHBondContact OD1-OG 2.89Å; D274-S276 PolarHBondContact OD2-OG 2.9Å; D274-S276 VanDerWaalsContact OD2-OG 3.08Å; D274-A277 HydrophobicContact CB-CB 4.14Å; D274-A277 PolarHBondContact O-N 2.83Å; D274-R278 PolarHBondContact O-N 3Å
275	P	80.3	Confident	87.6	Confident	116 Å²	116	72.9 Å²	72.9	75%	0.753	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.3	179.5	-25.3	34.9	0	0	0	113.6	E273	E273-P275 VanDerWaalsContact O-CD 3.28Å; E273-P275 WeakPolarHBondContact O-CD 3.48Å
276	S	76.9	Confident	87.8	Confident	102 Å²	102	70.9 Å²	70.9	71%	0.713	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.4	178.3	72.1	0	0	0	0	113.9	D274	D274-S276 PolarHBondContact O-N 2.86Å; D274-S276 WeakPolarHBondContact OD1-CB 3.4Å; D274-S276 PolarHBondContact OD1-N 2.94Å; D274-S276 PolarHBondContact OD1-OG 2.89Å; D274-S276 PolarHBondContact OD2-OG 2.9Å; D274-S276 VanDerWaalsContact OD2-OG 3.08Å
277	A	74.6	Confident	87.9	Confident	67 Å²	67	70.3 Å²	70.3	55%	0.554	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.9	176.2	0	0	0	0	0	112.9	D274 S279	D274-A277 HydrophobicContact CB-CB 4.14Å; D274-A277 PolarHBondContact O-N 2.83Å; A277-S279 PolarHBondContact O-N 2.85Å
278	R	81.2	Confident	88	Confident	151 Å²	151	68.2 Å²	68.2	57%	0.57	37%	0.372	S	S	*	.			trans	-69	121.4	-177.4	-165.3	171.6	177.4	173.4	0.5	110.6	D274 E283	D274-R278 PolarHBondContact O-N 3Å; R278-E283 IonicContact NH2-OE2 2.96Å; R278-E283 PolarHBondContact NH2-OE2 3.41Å
279	S	85.3	Confident	88	Confident	56 Å²	56	67.2 Å²	67.2	39%	0.392	37%	0.369	S	S	.	.			trans	-113.1	168.6	173.9	71.1	0	0	0	0	110.3	A277 F281 S282	A277-S279 PolarHBondContact O-N 2.85Å; S279-F281 PolarHBondContact O-N 2.83Å; S279-F281 PolarHBondContact OG-N 3.16Å; S279-S282 PolarHBondContact N-OG 3.14Å; S279-S282 VanDerWaalsContact O-CB 3.27Å; S279-S282 WeakPolarHBondContact O-CB 3.38Å; S279-S282 PolarHBondContact O-N 3.14Å; S279-S282 PolarHBondContact OG-N 3.13Å; S279-S282 PolarHBondContact OG-OG 3.37Å
280	F	86.9	Confident	88.1	Confident	138 Å²	138	67.6 Å²	67.6	61%	0.605	37%	0.371	S	S	*	.	H	α-helix	trans	-52.2	-40	170.4	170.9	-101.6	0	0	0	111.9	S282 I284 Y337	F280-S282 VanDerWaalsContact C-N 3.31Å; F280-S282 PolarHBondContact O-N 3.02Å; F280-I284 HydrophobicContact CD1-CD1 4.42Å; F280-I284 HydrophobicContact CE1-CD1 3.77Å; F280-I284 HydrophobicContact CZ-CD1 4.08Å; F280-Y337 HydrophobicContact CE1-CE2 4.35Å
281	F	91.9	Very high	88.3	Confident	43 Å²	43	62.7 Å²	62.7	19%	0.189	35%	0.348	C	S	.	.	H	α-helix	trans	-75.9	-15.3	-179.1	-63	-68.7	0	0	0	113.9	S279 E283 I284 I285 L333 C334 Y337 I342	S279-F281 PolarHBondContact O-N 2.83Å; S279-F281 PolarHBondContact OG-N 3.16Å; F281-E283 VanDerWaalsContact C-N 3.3Å; F281-E283 PolarHBondContact O-N 2.8Å; F281-I284 HydrophobicContact CD1-CD1 4.21Å; F281-I284 PolarHBondContact O-N 3.36Å; F281-I285 VanDerWaalsContact O-CG1 3.31Å; F281-I285 WeakPolarHBondContact O-CG1 3.32Å; F281-I285 PolarHBondContact O-N 3.31Å; F281-L333 HydrophobicContact CB-CD1 4.11Å; F281-L333 HydrophobicContact CD1-CB 4.36Å; F281-L333 HydrophobicContact CD2-CB 4.23Å; F281-L333 HydrophobicContact CE2-CB 4.49Å; F281-L333 HydrophobicContact CG-CB 4.17Å; F281-L333 HydrophobicContact CG-CD1 4.41Å; F281-C334 HydrophobicContact CZ-CB 4.24Å; F281-Y337 HydrophobicContact CE1-CD2 4.31Å; F281-Y337 HydrophobicContact CE1-CG 4.01Å; F281-I342 HydrophobicContact CD1-CD1 4Å
282	S	90.4	Very high	88.7	Confident	8 Å²	8	59.9 Å²	59.9	6%	0.056	34%	0.335	C	S	.	.	H	α-helix	trans	-54.8	-47.1	-177.4	-77.8	0	0	0	0	111.6	E273 S279 F280 I284 S286	E273-S282 VanDerWaalsContact OE1-CB 3.24Å; E273-S282 WeakPolarHBondContact OE1-CB 3.4Å; E273-S282 PolarHBondContact OE1-OG 2.92Å; E273-S282 VanDerWaalsContact OE1-OG 3.11Å; S279-S282 PolarHBondContact N-OG 3.14Å; S279-S282 VanDerWaalsContact O-CB 3.27Å; S279-S282 WeakPolarHBondContact O-CB 3.38Å; S279-S282 PolarHBondContact O-N 3.14Å; S279-S282 PolarHBondContact OG-N 3.13Å; S279-S282 PolarHBondContact OG-OG 3.37Å; F280-S282 VanDerWaalsContact C-N 3.31Å; F280-S282 PolarHBondContact O-N 3.02Å; S282-I284 PolarHBondContact O-N 2.7Å; S282-S286 WeakPolarHBondContact O-CB 3.27Å; S282-S286 PolarHBondContact O-N 3.4Å; S282-S286 PolarHBondContact O-OG 2.97Å
283	E	89.3	Confident	89.5	Confident	87 Å²	87	55.3 Å²	55.3	41%	0.407	30%	0.303	S	S	.	.	H	α-helix	trans	-66.2	-42.1	-178.6	-168.6	160.7	171.2	0	0	111.5	R278 F281 S286 S287	R278-E283 IonicContact NH2-OE2 2.96Å; R278-E283 PolarHBondContact NH2-OE2 3.41Å; F281-E283 VanDerWaalsContact C-N 3.3Å; F281-E283 PolarHBondContact O-N 2.8Å; E283-S286 WeakPolarHBondContact CA-OG 3.34Å; E283-S286 PolarHBondContact O-N 3.31Å; E283-S286 PolarHBondContact O-OG 3.29Å; E283-S287 PolarHBondContact O-N 3.13Å
284	I	93.7	Very high	90.4	Very high	34 Å²	34	50.6 Å²	50.6	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-49.4	179.6	-55.1	176.9	0	0	0	110.9	F280 F281 S282 S286 S287 Y337 I342 F343	F280-I284 HydrophobicContact CD1-CD1 4.42Å; F280-I284 HydrophobicContact CE1-CD1 3.77Å; F280-I284 HydrophobicContact CZ-CD1 4.08Å; F281-I284 HydrophobicContact CD1-CD1 4.21Å; F281-I284 PolarHBondContact O-N 3.36Å; S282-I284 PolarHBondContact O-N 2.7Å; I284-S286 VanDerWaalsContact C-N 3.31Å; I284-S286 PolarHBondContact O-N 3.01Å; I284-S287 WeakPolarHBondContact O-CB 3.33Å; I284-S287 PolarHBondContact O-N 2.79Å; I284-Y337 HydrophobicContact CD1-CD2 3.79Å; I284-Y337 HydrophobicContact CD1-CE2 3.69Å; I284-I342 HydrophobicContact CB-CD1 4.44Å; I284-I342 HydrophobicContact CG2-CD1 3.82Å; I284-I342 HydrophobicContact CG2-CG1 3.89Å; I284-I342 HydrophobicContact CG2-CG2 4.05Å; I284-F343 HydrophobicContact CG2-CD1 4.3Å; I284-F343 HydrophobicContact CG2-CE1 3.82Å
285	I	94.6	Very high	91.4	Very high	17 Å²	17	50.3 Å²	50.3	9%	0.087	28%	0.277	C	S	.	.	H	α-helix	trans	-77.9	-16.9	-177.4	70.2	-174.7	0	0	0	113.2	F281 S287 D304 Y305 L306 L333 I342	F281-I285 VanDerWaalsContact O-CG1 3.31Å; F281-I285 WeakPolarHBondContact O-CG1 3.32Å; F281-I285 PolarHBondContact O-N 3.31Å; I285-S287 VanDerWaalsContact C-N 3.29Å; I285-D304 WeakPolarHBondContact O-CB 3.42Å; I285-Y305 HydrophobicContact CG2-CD1 4.03Å; I285-Y305 HydrophobicContact CG2-CG 4.42Å; I285-Y305 PolarHBondContact O-N 3.42Å; I285-L306 HydrophobicContact CD1-CD1 3.87Å; I285-L333 HydrophobicContact CD1-CD1 4.42Å; I285-L333 HydrophobicContact CG2-CD2 3.94Å; I285-I342 HydrophobicContact CG2-CD1 3.88Å; I285-I342 HydrophobicContact CG2-CG1 4.16Å
286	S	93.8	Very high	92.1	Very high	32 Å²	32	47.8 Å²	47.8	22%	0.224	26%	0.262	C	S	.	.	H	α-helix	trans	-75.3	-18.7	175	72.4	0	0	0	0	113.2	G249 S282 E283 I284 V288	G249-S286 WeakPolarHBondContact CA-O 3.31Å; G249-S286 PolarHBondContact N-O 3.15Å; S282-S286 WeakPolarHBondContact O-CB 3.27Å; S282-S286 PolarHBondContact O-N 3.4Å; S282-S286 PolarHBondContact O-OG 2.97Å; E283-S286 WeakPolarHBondContact CA-OG 3.34Å; E283-S286 PolarHBondContact O-N 3.31Å; E283-S286 PolarHBondContact O-OG 3.29Å; I284-S286 VanDerWaalsContact C-N 3.31Å; I284-S286 PolarHBondContact O-N 3.01Å; S286-V288 PolarHBondContact O-N 2.85Å
287	S	96.6	Very high	93	Very high	36 Å²	36	43 Å²	43	25%	0.252	23%	0.229	S	C	.	.	S	Bend	trans	-54	122.7	176.5	-177.5	0	0	0	0	110.9	S247 E283 I284 I285 S289	S247-S287 WeakPolarHBondContact CA-OG 3.43Å; S247-S287 VanDerWaalsContact O-CA 3.3Å; S247-S287 WeakPolarHBondContact O-CA 3.3Å; S247-S287 WeakPolarHBondContact O-CB 3.41Å; E283-S287 PolarHBondContact O-N 3.13Å; I284-S287 WeakPolarHBondContact O-CB 3.33Å; I284-S287 PolarHBondContact O-N 2.79Å; I285-S287 VanDerWaalsContact C-N 3.29Å; S287-S289 PolarHBondContact O-N 2.79Å
288	V	98	Very high	94.1	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.036	23%	0.225	C	C	.	.			trans	-79.9	121.5	179.1	173.7	0	0	0	0	108	T230 S245 S246 L251 S286 D290 R303	T230-V288 WeakPolarHBondContact CB-O 3.24Å; T230-V288 PolarHBondContact OG1-O 3.27Å; S245-V288 VanDerWaalsContact CB-CG1 3.49Å; S246-V288 PolarHBondContact O-N 2.82Å; L251-V288 HydrophobicContact CD2-CG1 4.29Å; L251-V288 HydrophobicContact CD2-CG2 4.02Å; S286-V288 PolarHBondContact O-N 2.85Å; V288-D290 VanDerWaalsContact CG1-O 3.29Å; V288-D290 WeakPolarHBondContact CG1-O 3.39Å; V288-R303 CarbonylContact C-O 3.47Å; V288-R303 WeakPolarHBondContact CA-O 3.46Å
289	S	97.6	Very high	94.9	Very high	20 Å²	20	40.4 Å²	40.4	14%	0.14	21%	0.205	C	C	.	.			trans	-85.9	-28.5	178.7	56.6	0	0	0	0	113.5	S287 R303 F346	S287-S289 PolarHBondContact O-N 2.79Å; S289-R303 PolarHBondContact N-O 2.96Å; S289-R303 WeakPolarHBondContact OG-CG 3.4Å; S289-R303 PolarHBondContact OG-O 3.13Å; S289-R303 VanDerWaalsContact OG-O 3.13Å; S289-F346 WeakPolarHBondContact CB-O 3.45Å; S289-F346 PolarHBondContact OG-O 3.1Å
290	D	98.4	Very high	95.5	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	148	-177.8	-166.4	27.8	0	0	0	111.4	V288 T302 R303 E347 C348	V288-D290 VanDerWaalsContact CG1-O 3.29Å; V288-D290 WeakPolarHBondContact CG1-O 3.39Å; D290-T302 WeakPolarHBondContact O-CA 3.26Å; D290-R303 HydrophobicContact CB-CB 4.42Å; D290-R303 PolarHBondContact O-N 2.82Å; D290-E347 WeakPolarHBondContact OD2-CA 3.37Å; D290-C348 PolarHBondContact OD2-N 3.27Å; D290-C348 PolarHBondContact OD2-SG 2.72Å
291	V	98.4	Very high	96.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.8	177.7	66.2	0	0	0	0	109.5	A231 V243 L300 L301 T302	A231-V291 HydrophobicContact CB-CG1 3.74Å; V243-V291 HydrophobicContact CG1-CG1 4.08Å; V243-V291 HydrophobicContact CG1-CG2 3.73Å; V243-V291 HydrophobicContact CG2-CG2 4.43Å; V291-L300 HydrophobicContact CG2-CD2 4.33Å; V291-L301 CarbonylContact C-O 3.58Å; V291-L301 WeakPolarHBondContact CA-O 3.49Å; V291-T302 HydrophobicContact CG2-CG2 4.02Å
292	K	98.3	Very high	96.4	Very high	32 Å²	32	29.3 Å²	29.3	14%	0.139	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	120.5	-176	-70.5	-63.2	-176.2	170.9	0	113.4	E233 L301 W350	E233-K292 VanDerWaalsContact OE1-CD 3.3Å; E233-K292 WeakPolarHBondContact OE1-CD 3.3Å; E233-K292 IonicContact OE1-NZ 3.75Å; E233-K292 PolarHBondContact OE1-NZ 3.05Å; E233-K292 VanDerWaalsContact OE2-CA 3.23Å; E233-K292 WeakPolarHBondContact OE2-CA 3.27Å; K292-L301 HydrophobicContact CB-CB 4.37Å; K292-L301 PolarHBondContact N-O 3.27Å; K292-L301 PolarHBondContact O-N 3.09Å; K292-W350 PolarHBondContact O-NE1 3.46Å; K292-W350 VanDerWaalsContact O-NE1 3.12Å
293	F	98.4	Very high	96.7	Very high	14 Å²	14	29 Å²	29	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	139.7	165.2	-77.2	-79.4	0	0	0	110.2	E233 F234 H235 P236 V243 L253 L300 L313 W350	E233-F293 HydrophobicContact CB-CD2 4.29Å; E233-F293 HydrophobicContact CG-CD2 4.37Å; E233-F293 WeakPolarHBondContact O-CE2 3.44Å; E233-F293 PolarHBondContact OE2-N 3.01Å; F234-F293 VanDerWaalsContact O-CD2 3.28Å; F234-F293 WeakPolarHBondContact O-CD2 3.37Å; H235-F293 HydrophobicContact CB-CE1 4.36Å; H235-F293 HydrophobicContact CB-CE2 4.28Å; H235-F293 HydrophobicContact CB-CZ 4.1Å; H235-F293 AromaticContact CD2-CD1 3.8Å; H235-F293 AromaticContact CD2-CE1 3.52Å; P236-F293 HydrophobicContact CG-CB 4.22Å; V243-F293 HydrophobicContact CB-CE2 4.05Å; V243-F293 HydrophobicContact CB-CZ 3.95Å; V243-F293 HydrophobicContact CG1-CD2 4.25Å; V243-F293 HydrophobicContact CG1-CE2 3.51Å; V243-F293 HydrophobicContact CG1-CZ 3.87Å; L253-F293 HydrophobicContact CD1-CE1 4.32Å; L253-F293 HydrophobicContact CD1-CZ 3.84Å; F293-L300 HydrophobicContact CD1-CD2 3.43Å; F293-L300 VanDerWaalsContact CD1-CD2 3.43Å; F293-L300 HydrophobicContact CD1-CG 4.4Å; F293-L300 HydrophobicContact CD2-CD2 4.18Å; F293-L300 HydrophobicContact CE1-CD2 3.37Å; F293-L300 HydrophobicContact CE1-CG 4.26Å; F293-L300 HydrophobicContact CE2-CD2 4.14Å; F293-L300 HydrophobicContact CG-CD2 3.84Å; F293-L300 HydrophobicContact CZ-CD2 3.75Å; F293-L313 HydrophobicContact CE1-CD1 4.08Å; F293-L313 HydrophobicContact CE1-CD2 4.17Å; F293-W350 VanDerWaalsContact O-CD1 3.32Å; F293-W350 PolarHBondContact O-NE1 2.97Å
294	S	97.9	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.			trans	-63.6	152.1	164.2	64.3	0	0	0	0	109.9	S296 G297 R298 Y299 D354	S294-S296 PolarHBondContact O-N 2.75Å; S294-S296 PolarHBondContact OG-OG 3.05Å; S294-G297 WeakPolarHBondContact O-CA 3.34Å; S294-G297 PolarHBondContact O-N 3.29Å; S294-G297 PolarHBondContact OG-N 3.22Å; S294-R298 PolarHBondContact OG-N 3.2Å; S294-Y299 PolarHBondContact N-O 2.69Å; S294-Y299 PolarHBondContact OG-N 2.63Å; S294-Y299 PolarHBondContact OG-O 3.06Å; S294-D354 WeakPolarHBondContact CB-OD2 3.39Å
295	H	96.3	Very high	97.3	Very high	89 Å²	89	24.3 Å²	24.3	41%	0.412	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.6	179.1	-57.9	88.3	0	0	0	112.3	G297 N351 D354	H295-G297 PolarHBondContact O-N 3.28Å; H295-N351 PolarHBondContact CE1-O 3.44Å; H295-N351 VanDerWaalsContact CE1-O 3.26Å; H295-N351 PolarHBondContact ND1-O 3.19Å; H295-D354 WeakPolarHBondContact CB-OD1 3.3Å; H295-D354 IonicContact CE1-OD1 3.59Å; H295-D354 IonicContact CG-OD1 2.62Å; H295-D354 PolarHBondContact N-OD1 3.48Å; H295-D354 PolarHBondContact N-OD2 2.94Å; H295-D354 VanDerWaalsContact N-OD2 3.16Å; H295-D354 IonicContact ND1-OD1 3.89Å; H295-D354 PolarHBondContact ND1-OD1 3.5Å
296	S	95.4	Very high	97.3	Very high	62 Å²	62	23.7 Å²	23.7	43%	0.434	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.5	172.8	56.9	0	0	0	0	114.7	S294 R298 D354	S294-S296 PolarHBondContact O-N 2.75Å; S294-S296 PolarHBondContact OG-OG 3.05Å; S296-R298 PolarHBondContact O-N 3.3Å; S296-D354 VanDerWaalsContact CB-OD2 3.3Å; S296-D354 WeakPolarHBondContact CB-OD2 3.49Å; S296-D354 PolarHBondContact N-OD2 2.78Å; S296-D354 PolarHBondContact OG-OD2 3.08Å
297	G	96.5	Very high	97.5	Very high	3 Å²	3	22.8 Å²	22.8	3%	0.031	12%	0.115	C	C	.	.	S	Bend	trans	72.1	-4.9	-174.3	0	0	0	0	0	115	H235 S294 H295 L313	H235-G297 WeakPolarHBondContact NE2-CA 3.39Å; H235-G297 PolarHBondContact NE2-O 3.02Å; S294-G297 WeakPolarHBondContact O-CA 3.34Å; S294-G297 PolarHBondContact O-N 3.29Å; S294-G297 PolarHBondContact OG-N 3.22Å; H295-G297 PolarHBondContact O-N 3.28Å; G297-L313 WeakPolarHBondContact O-CD1 2.98Å
298	R	96.9	Very high	97.6	Very high	126 Å²	126	21.1 Å²	21.1	48%	0.475	10%	0.103	S	C	.	.	S	Bend	trans	-80.9	-30	-173.7	-179.5	171.3	174.4	-163.4	-2.4	114.1	S294 S296 D312 L313	S294-R298 PolarHBondContact OG-N 3.2Å; S296-R298 PolarHBondContact O-N 3.3Å; R298-D312 IonicContact CZ-OD2 3.79Å; R298-D312 IonicContact NE-OD2 2.81Å; R298-D312 PolarHBondContact NE-OD2 3.48Å; R298-D312 VanDerWaalsContact NE-OD2 3.11Å; R298-D312 IonicContact NH2-OD2 2.67Å; R298-D312 PolarHBondContact NH2-OD2 2.93Å; R298-L313 WeakPolarHBondContact O-CG 3.37Å; R298-L313 PolarHBondContact O-N 3.41Å; R298-L313 VanDerWaalsContact O-N 3.11Å
299	Y	98.3	Very high	97.6	Very high	37 Å²	37	22.5 Å²	22.5	15%	0.145	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154.4	-171.9	-52.9	-76.7	0	0	0	112	S294 V310 W311 D312 L320	S294-Y299 PolarHBondContact N-O 2.69Å; S294-Y299 PolarHBondContact OG-N 2.63Å; S294-Y299 PolarHBondContact OG-O 3.06Å; Y299-V310 HydrophobicContact CD1-CG1 4.23Å; Y299-V310 HydrophobicContact CG-CG1 4.31Å; Y299-W311 CarbonylContact C-O 3.55Å; Y299-W311 WeakPolarHBondContact CA-O 3.5Å; Y299-W311 WeakPolarHBondContact CB-O 3.29Å; Y299-D312 HydrophobicContact CD1-CB 4.14Å; Y299-D312 HydrophobicContact CE1-CB 4.15Å; Y299-L320 HydrophobicContact CD1-CD2 4.44Å; Y299-L320 HydrophobicContact CE1-CD2 3.93Å
300	L	98.3	Very high	97.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.2	166.6	-65.7	169.1	0	0	0	108.9	V243 L251 F269 V291 F293 V310 W311 L313	V243-L300 HydrophobicContact CB-CD2 4.43Å; V243-L300 HydrophobicContact CG1-CD2 3.98Å; V243-L300 HydrophobicContact CG2-CD1 4.13Å; L251-L300 HydrophobicContact CD1-CD1 4.38Å; F269-L300 HydrophobicContact CE2-CD1 4.4Å; V291-L300 HydrophobicContact CG2-CD2 4.33Å; F293-L300 HydrophobicContact CD1-CD2 3.43Å; F293-L300 VanDerWaalsContact CD1-CD2 3.43Å; F293-L300 HydrophobicContact CD1-CG 4.4Å; F293-L300 HydrophobicContact CD2-CD2 4.18Å; F293-L300 HydrophobicContact CE1-CD2 3.37Å; F293-L300 HydrophobicContact CE1-CG 4.26Å; F293-L300 HydrophobicContact CE2-CD2 4.14Å; F293-L300 HydrophobicContact CG-CD2 3.84Å; F293-L300 HydrophobicContact CZ-CD2 3.75Å; L300-V310 CarbonylContact O-C 3.58Å; L300-V310 VanDerWaalsContact O-CA 3.3Å; L300-V310 WeakPolarHBondContact O-CA 3.28Å; L300-W311 HydrophobicContact CB-CB 4.22Å; L300-W311 PolarHBondContact N-O 3.26Å; L300-W311 PolarHBondContact O-N 2.97Å; L300-L313 HydrophobicContact CD1-CD2 3.6Å; L300-L313 HydrophobicContact CD2-CD2 4.38Å; L300-L313 HydrophobicContact CG-CD2 3.69Å
301	L	98.6	Very high	97.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.1	165.7	176.4	63.1	0	0	0	108.2	V291 K292 A308 K309 V310 C348 W350 I357	V291-L301 CarbonylContact C-O 3.58Å; V291-L301 WeakPolarHBondContact CA-O 3.49Å; K292-L301 HydrophobicContact CB-CB 4.37Å; K292-L301 PolarHBondContact N-O 3.27Å; K292-L301 PolarHBondContact O-N 3.09Å; L301-A308 HydrophobicContact CD1-CB 4.32Å; L301-K309 CarbonylContact C-O 3.54Å; L301-K309 WeakPolarHBondContact CA-O 3.21Å; L301-V310 HydrophobicContact CD1-CG2 4.04Å; L301-C348 HydrophobicContact CD2-CB 3.74Å; L301-C348 HydrophobicContact CG-CB 4.11Å; L301-W350 HydrophobicContact CB-CD2 4.4Å; L301-W350 VanDerWaalsContact CB-CE2 3.42Å; L301-W350 HydrophobicContact CB-CH2 4.36Å; L301-W350 HydrophobicContact CB-CZ2 3.42Å; L301-W350 VanDerWaalsContact CB-CZ2 3.42Å; L301-W350 VanDerWaalsContact CB-NE1 3.34Å; L301-W350 HydrophobicContact CD2-CD2 4.31Å; L301-W350 HydrophobicContact CD2-CG 4.48Å; L301-W350 HydrophobicContact CG-CZ2 4.49Å; L301-I357 HydrophobicContact CD1-CB 4.44Å; L301-I357 HydrophobicContact CD1-CD1 3.94Å; L301-I357 HydrophobicContact CD1-CG2 4.12Å; L301-I357 HydrophobicContact CD2-CB 4.08Å; L301-I357 HydrophobicContact CD2-CG2 3.88Å
302	T	98.4	Very high	97.5	Very high	4 Å²	4	22 Å²	22	3%	0.025	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.6	177.4	61.6	0	0	0	0	109.9	L251 D290 V291 A308 K309 W311	L251-T302 HydrophobicContact CD1-CG2 3.29Å; L251-T302 HydrophobicContact CD2-CG2 3.67Å; L251-T302 HydrophobicContact CG-CG2 4.1Å; D290-T302 WeakPolarHBondContact O-CA 3.26Å; V291-T302 HydrophobicContact CG2-CG2 4.02Å; T302-A308 CarbonylContact O-C 3.59Å; T302-A308 WeakPolarHBondContact O-CA 3.47Å; T302-K309 PolarHBondContact N-O 3.46Å; T302-K309 PolarHBondContact O-N 3.19Å; T302-K309 PolarHBondContact OG1-O 2.73Å; T302-W311 PolarHBondContact OG1-NE1 3.49Å; T302-W311 VanDerWaalsContact OG1-NE1 3.15Å
303	R	98.1	Very high	97.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.6	172.8	-178.5	64.8	-159.3	-107.4	-2.4	109.3	V288 S289 D290 Y305 T307 F346 C348 T359 G360	V288-R303 CarbonylContact C-O 3.47Å; V288-R303 WeakPolarHBondContact CA-O 3.46Å; S289-R303 PolarHBondContact N-O 2.96Å; S289-R303 WeakPolarHBondContact OG-CG 3.4Å; S289-R303 PolarHBondContact OG-O 3.13Å; S289-R303 VanDerWaalsContact OG-O 3.13Å; D290-R303 HydrophobicContact CB-CB 4.42Å; D290-R303 PolarHBondContact O-N 2.82Å; R303-Y305 PolarHBondContact NH2-O 3.35Å; R303-T307 WeakPolarHBondContact CD-O 3.36Å; R303-F346 HydrophobicContact CG-CB 4.07Å; R303-F346 WeakPolarHBondContact CG-O 3.41Å; R303-C348 HydrophobicContact CB-CB 4.14Å; R303-T359 PolarHBondContact NH1-OG1 2.78Å; R303-G360 PolarHBondContact NH1-O 2.79Å
304	D	96.9	Very high	97.4	Very high	16 Å²	16	26.6 Å²	26.6	9%	0.086	13%	0.131	C	C	.	.			trans	-104.6	-176	162.3	70.7	42.1	0	0	0	109.1	I285 L306 T307 K309	I285-D304 WeakPolarHBondContact O-CB 3.42Å; D304-L306 PolarHBondContact O-N 3.36Å; D304-L306 PolarHBondContact OD1-N 3.42Å; D304-T307 VanDerWaalsContact CG-OG1 3.25Å; D304-T307 PolarHBondContact N-O 2.69Å; D304-T307 WeakPolarHBondContact OD1-CA 3.44Å; D304-T307 PolarHBondContact OD1-N 3.26Å; D304-T307 PolarHBondContact OD1-OG1 3.01Å; D304-T307 PolarHBondContact OD2-OG1 3.38Å; D304-K309 WeakPolarHBondContact OD2-CE 3.5Å; D304-K309 IonicContact OD2-NZ 2.81Å
305	Y	96.8	Very high	97.3	Very high	8 Å²	8	30.2 Å²	30.2	3%	0.031	15%	0.149	C	C	.	.	S	Bend	trans	-58.9	-48	-174.9	-170.6	-110.9	0	0	0	111.9	I285 R303 H326 L333 L336 C341 I342 F346 Y362	I285-Y305 HydrophobicContact CG2-CD1 4.03Å; I285-Y305 HydrophobicContact CG2-CG 4.42Å; I285-Y305 PolarHBondContact O-N 3.42Å; R303-Y305 PolarHBondContact NH2-O 3.35Å; Y305-H326 PolarHBondContact O-CD2 2.78Å; Y305-H326 PolarHBondContact O-NE2 2.84Å; Y305-L333 HydrophobicContact CD1-CD2 4.33Å; Y305-L333 HydrophobicContact CE1-CD2 4.18Å; Y305-L336 HydrophobicContact CE1-CD1 4.21Å; Y305-C341 WeakPolarHBondContact CE2-O 3.31Å; Y305-C341 PolarHBondContact OH-O 3.38Å; Y305-I342 HydrophobicContact CD1-CG1 4.25Å; Y305-I342 WeakPolarHBondContact CD2-O 3.47Å; Y305-I342 HydrophobicContact CE1-CG1 4.15Å; Y305-I342 HydrophobicContact CG-CG1 4.5Å; Y305-F346 HydrophobicContact CE2-CE2 4.21Å; Y305-Y362 HydrophobicContact CE2-CE2 4.45Å; Y305-Y362 WeakPolarHBondContact CE2-OH 3.27Å; Y305-Y362 WeakPolarHBondContact OH-CE2 3.42Å; Y305-Y362 PolarHBondContact OH-OH 2.91Å
306	L	96.3	Very high	97.3	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.016	15%	0.145	C	C	.	.	S	Bend	trans	-96.9	-24	-171.7	-64.9	-177.4	0	0	0	114.2	I285 D304 V325 H326	I285-L306 HydrophobicContact CD1-CD1 3.87Å; D304-L306 PolarHBondContact O-N 3.36Å; D304-L306 PolarHBondContact OD1-N 3.42Å; L306-V325 PolarHBondContact O-N 2.67Å; L306-H326 PolarHBondContact O-N 2.73Å
307	T	96.9	Very high	97.3	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.08	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	153.8	-166.1	84.1	0	0	0	0	113.1	R303 D304 K309 T322 Y323	R303-T307 WeakPolarHBondContact CD-O 3.36Å; D304-T307 VanDerWaalsContact CG-OG1 3.25Å; D304-T307 PolarHBondContact N-O 2.69Å; D304-T307 WeakPolarHBondContact OD1-CA 3.44Å; D304-T307 PolarHBondContact OD1-N 3.26Å; D304-T307 PolarHBondContact OD1-OG1 3.01Å; D304-T307 PolarHBondContact OD2-OG1 3.38Å; T307-K309 VanDerWaalsContact OG1-CE 3.23Å; T307-K309 WeakPolarHBondContact OG1-CE 3.42Å; T307-T322 HydrophobicContact CG2-CG2 4.44Å; T307-Y323 CarbonylContact C-O 3.29Å; T307-Y323 VanDerWaalsContact CA-O 3.23Å; T307-Y323 WeakPolarHBondContact CA-O 3.34Å; T307-Y323 WeakPolarHBondContact CB-O 3.4Å
308	A	97.9	Very high	97.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.2	164.4	0	0	0	0	0	108.4	L301 T302 Y323 V325 I357	L301-A308 HydrophobicContact CD1-CB 4.32Å; T302-A308 CarbonylContact O-C 3.59Å; T302-A308 WeakPolarHBondContact O-CA 3.47Å; A308-Y323 PolarHBondContact N-O 2.99Å; A308-Y323 WeakPolarHBondContact O-CB 2.88Å; A308-Y323 PolarHBondContact O-N 2.88Å; A308-V325 HydrophobicContact CB-CG2 4.19Å; A308-I357 HydrophobicContact CB-CD1 4.18Å
309	K	98.1	Very high	97.3	Very high	35 Å²	35	30 Å²	30	15%	0.152	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138	-174.9	-58.9	176.9	-176.6	-173.4	0	110.6	E271 L301 T302 D304 T307 W311 P319 E321 T322	E271-K309 IonicContact OE2-NZ 2.7Å; E271-K309 PolarHBondContact OE2-NZ 2.85Å; L301-K309 CarbonylContact C-O 3.54Å; L301-K309 WeakPolarHBondContact CA-O 3.21Å; T302-K309 PolarHBondContact N-O 3.46Å; T302-K309 PolarHBondContact O-N 3.19Å; T302-K309 PolarHBondContact OG1-O 2.73Å; D304-K309 WeakPolarHBondContact OD2-CE 3.5Å; D304-K309 IonicContact OD2-NZ 2.81Å; T307-K309 VanDerWaalsContact OG1-CE 3.23Å; T307-K309 WeakPolarHBondContact OG1-CE 3.42Å; K309-W311 HydrophobicContact CD-CZ2 4.34Å; K309-P319 HydrophobicContact CB-CB 3.97Å; K309-P319 HydrophobicContact CD-CB 4.49Å; K309-P319 HydrophobicContact CD-CG 4.2Å; K309-P319 HydrophobicContact CG-CB 4.5Å; K309-E321 CarbonylContact C-O 3.57Å; K309-E321 VanDerWaalsContact CA-O 3.31Å; K309-E321 WeakPolarHBondContact CA-O 3.38Å; K309-T322 HydrophobicContact CG-CG2 4.1Å
310	V	98.3	Very high	97.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.2	173.1	179	0	0	0	0	108.8	Y299 L300 L301 P319 L320 E321 Y323 W350	Y299-V310 HydrophobicContact CD1-CG1 4.23Å; Y299-V310 HydrophobicContact CG-CG1 4.31Å; L300-V310 CarbonylContact O-C 3.58Å; L300-V310 VanDerWaalsContact O-CA 3.3Å; L300-V310 WeakPolarHBondContact O-CA 3.28Å; L301-V310 HydrophobicContact CD1-CG2 4.04Å; V310-P319 CarbonylContact O-C 3.51Å; V310-L320 WeakPolarHBondContact O-CA 3.5Å; V310-L320 WeakPolarHBondContact O-CB 3.32Å; V310-L320 PolarHBondContact O-N 2.83Å; V310-E321 HydrophobicContact CB-CB 4.07Å; V310-E321 HydrophobicContact CB-CG 4.37Å; V310-E321 HydrophobicContact CG2-CB 4.44Å; V310-E321 PolarHBondContact N-O 3.14Å; V310-E321 PolarHBondContact O-N 3.01Å; V310-Y323 HydrophobicContact CG2-CE2 4.12Å; V310-W350 HydrophobicContact CB-CH2 4.49Å; V310-W350 HydrophobicContact CG1-CH2 3.78Å; V310-W350 HydrophobicContact CG1-CZ2 4.43Å; V310-W350 HydrophobicContact CG2-CH2 3.88Å
311	W	98.4	Very high	97.1	Very high	6 Å²	6	33.7 Å²	33.7	2%	0.023	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.1	177.4	-55.5	77.6	0	0	0	109.9	L251 F269 E271 Y299 L300 T302 K309 K318 P319	L251-W311 HydrophobicContact CD1-CD2 4.34Å; L251-W311 HydrophobicContact CD1-CG 4.26Å; F269-W311 HydrophobicContact CB-CD2 4.35Å; F269-W311 HydrophobicContact CB-CE3 3.9Å; F269-W311 HydrophobicContact CB-CH2 4.47Å; F269-W311 HydrophobicContact CB-CZ3 3.96Å; F269-W311 HydrophobicContact CD1-CB 4.3Å; F269-W311 HydrophobicContact CD1-CD2 4.44Å; F269-W311 AromaticContact CD1-CE3 3.9Å; F269-W311 HydrophobicContact CD1-CE3 3.9Å; F269-W311 HydrophobicContact CG-CE3 4.39Å; E271-W311 HydrophobicContact CB-CH2 4.15Å; Y299-W311 CarbonylContact C-O 3.55Å; Y299-W311 WeakPolarHBondContact CA-O 3.5Å; Y299-W311 WeakPolarHBondContact CB-O 3.29Å; L300-W311 HydrophobicContact CB-CB 4.22Å; L300-W311 PolarHBondContact N-O 3.26Å; L300-W311 PolarHBondContact O-N 2.97Å; T302-W311 PolarHBondContact OG1-NE1 3.49Å; T302-W311 VanDerWaalsContact OG1-NE1 3.15Å; K309-W311 HydrophobicContact CD-CZ2 4.34Å; W311-K318 VanDerWaalsContact CE3-C 3.43Å; W311-P319 HydrophobicContact CD2-CB 3.97Å; W311-P319 HydrophobicContact CE3-CB 4.32Å; W311-P319 HydrophobicContact CG-CB 4.38Å; W311-P319 HydrophobicContact CZ2-CB 4.25Å; W311-P319 HydrophobicContact CZ2-CG 4.41Å
312	D	97.6	Very high	97	Very high	14 Å²	14	36.7 Å²	36.7	8%	0.075	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.1	167.1	-172.6	-51	0	0	0	107.5	R298 Y299 N314 M315	R298-D312 IonicContact CZ-OD2 3.79Å; R298-D312 IonicContact NE-OD2 2.81Å; R298-D312 PolarHBondContact NE-OD2 3.48Å; R298-D312 VanDerWaalsContact NE-OD2 3.11Å; R298-D312 IonicContact NH2-OD2 2.67Å; R298-D312 PolarHBondContact NH2-OD2 2.93Å; Y299-D312 HydrophobicContact CD1-CB 4.14Å; Y299-D312 HydrophobicContact CE1-CB 4.15Å; D312-N314 PolarHBondContact O-N 2.92Å; D312-N314 WeakPolarHBondContact OD1-CB 3.03Å; D312-N314 PolarHBondContact OD1-N 2.68Å; D312-N314 PolarHBondContact OD1-ND2 2.76Å; D312-M315 HydrophobicContact CB-CB 4.37Å; D312-M315 CarbonylContact O-C 3.53Å; D312-M315 PolarHBondContact O-N 3.49Å
313	L	96.9	Very high	97	Very high	19 Å²	19	37.4 Å²	37.4	10%	0.099	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.9	-179.9	-70.2	-178.3	0	0	0	114.1	L253 K267 F269 F293 G297 R298 L300	L253-L313 HydrophobicContact CD1-CD2 4.4Å; L253-L313 HydrophobicContact CD2-CD2 4.33Å; K267-L313 PolarHBondContact NZ-O 3.04Å; F269-L313 HydrophobicContact CZ-CD2 3.94Å; F293-L313 HydrophobicContact CE1-CD1 4.08Å; F293-L313 HydrophobicContact CE1-CD2 4.17Å; G297-L313 WeakPolarHBondContact O-CD1 2.98Å; R298-L313 WeakPolarHBondContact O-CG 3.37Å; R298-L313 PolarHBondContact O-N 3.41Å; R298-L313 VanDerWaalsContact O-N 3.11Å; L300-L313 HydrophobicContact CD1-CD2 3.6Å; L300-L313 HydrophobicContact CD2-CD2 4.38Å; L300-L313 HydrophobicContact CG-CD2 3.69Å
314	N	96.9	Very high	96.9	Very high	123 Å²	123	41.5 Å²	41.5	66%	0.658	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-3.2	175.4	-54.5	-62.6	0	0	0	113.8	D312	D312-N314 PolarHBondContact O-N 2.92Å; D312-N314 WeakPolarHBondContact OD1-CB 3.03Å; D312-N314 PolarHBondContact OD1-N 2.68Å; D312-N314 PolarHBondContact OD1-ND2 2.76Å
315	M	96.4	Very high	96.8	Very high	75 Å²	75	40.8 Å²	40.8	37%	0.369	21%	0.21	S	C	.	.			trans	-128.2	95.3	179.5	-174.7	173.1	-69.6	0	0	110.6	D312 K318	D312-M315 HydrophobicContact CB-CB 4.37Å; D312-M315 CarbonylContact O-C 3.53Å; D312-M315 PolarHBondContact O-N 3.49Å; M315-K318 HydrophobicContact CG-CG 4.39Å; M315-K318 HydrophobicContact SD-CG 3.91Å
316	E	96.1	Very high	96.5	Very high	73 Å²	73	40.4 Å²	40.4	34%	0.341	21%	0.209	S	C	.	.			trans	-80.8	-29	-175.6	-71.1	158.2	-145.3	0	0	113.6	K267 L268 F269 E270 K318	K267-E316 HydrophobicContact CB-CG 4.03Å; K267-E316 HydrophobicContact CD-CG 4.29Å; K267-E316 WeakPolarHBondContact CD-OE1 3.43Å; K267-E316 VanDerWaalsContact CE-OE1 3.25Å; K267-E316 WeakPolarHBondContact CE-OE1 3.35Å; K267-E316 HydrophobicContact CG-CG 4.45Å; K267-E316 WeakPolarHBondContact CG-OE1 3.45Å; K267-E316 IonicContact NZ-OE1 3.86Å; L268-E316 WeakPolarHBondContact O-CB 3.17Å; F269-E316 WeakPolarHBondContact CA-O 3.33Å; F269-E316 HydrophobicContact CD1-CB 4.41Å; F269-E316 HydrophobicContact CD1-CG 4.23Å; F269-E316 HydrophobicContact CE1-CG 3.94Å; F269-E316 HydrophobicContact CE2-CG 4.44Å; F269-E316 HydrophobicContact CZ-CG 4.05Å; E270-E316 PolarHBondContact N-O 3.36Å; E316-K318 PolarHBondContact O-N 2.65Å
317	S	95.1	Very high	96.2	Very high	76 Å²	76	43.5 Å²	43.5	53%	0.531	23%	0.225	S	C	.	.	S	Bend	trans	-78.2	-13.5	-167.5	64.3	0	0	0	0	115.5	E270 P272	E270-S317 CarbonylContact O-C 3.52Å; P272-S317 WeakPolarHBondContact CD-O 3.23Å
318	K	95.8	Very high	95.9	Very high	115 Å²	115	44.4 Å²	44.4	50%	0.5	23%	0.228	S	C	.	.	S	Bend	trans	-168.5	154	-179.2	62.2	179.6	-177.1	178.7	0	111.6	W311 M315 E316	W311-K318 VanDerWaalsContact CE3-C 3.43Å; M315-K318 HydrophobicContact CG-CG 4.39Å; M315-K318 HydrophobicContact SD-CG 3.91Å; E316-K318 PolarHBondContact O-N 2.65Å
319	P	96.9	Very high	95.6	Very high	13 Å²	13	44.4 Å²	44.4	8%	0.084	23%	0.227	C	C	.	.			trans	-66	149.4	169.9	30.2	-36.8	0	0	0	111.1	K309 V310 W311 T322	K309-P319 HydrophobicContact CB-CB 3.97Å; K309-P319 HydrophobicContact CD-CB 4.49Å; K309-P319 HydrophobicContact CD-CG 4.2Å; K309-P319 HydrophobicContact CG-CB 4.5Å; V310-P319 CarbonylContact O-C 3.51Å; W311-P319 HydrophobicContact CD2-CB 3.97Å; W311-P319 HydrophobicContact CE3-CB 4.32Å; W311-P319 HydrophobicContact CG-CB 4.38Å; W311-P319 HydrophobicContact CZ2-CB 4.25Å; W311-P319 HydrophobicContact CZ2-CG 4.41Å; P319-T322 WeakPolarHBondContact CG-OG1 3.4Å
320	L	96.3	Very high	95.3	Very high	85 Å²	85	49.6 Å²	49.6	45%	0.445	25%	0.246	S	C	.	.	S	Bend	trans	-71.2	-38.3	171.1	-176.3	67	0	0	0	111	Y299 V310	Y299-L320 HydrophobicContact CD1-CD2 4.44Å; Y299-L320 HydrophobicContact CE1-CD2 3.93Å; V310-L320 WeakPolarHBondContact O-CA 3.5Å; V310-L320 WeakPolarHBondContact O-CB 3.32Å; V310-L320 PolarHBondContact O-N 2.83Å
321	E	96.6	Very high	95	Very high	28 Å²	28	54.5 Å²	54.5	13%	0.131	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137	-175.1	-45.5	177.3	147.5	0	0	109.9	K309 V310 Y323 R371 K374	K309-E321 CarbonylContact C-O 3.57Å; K309-E321 VanDerWaalsContact CA-O 3.31Å; K309-E321 WeakPolarHBondContact CA-O 3.38Å; V310-E321 HydrophobicContact CB-CB 4.07Å; V310-E321 HydrophobicContact CB-CG 4.37Å; V310-E321 HydrophobicContact CG2-CB 4.44Å; V310-E321 PolarHBondContact N-O 3.14Å; V310-E321 PolarHBondContact O-N 3.01Å; E321-Y323 HydrophobicContact CB-CD2 4.45Å; E321-Y323 HydrophobicContact CB-CE2 3.62Å; E321-Y323 PolarHBondContact OE2-OH 2.92Å; E321-R371 IonicContact OE1-NE 3.34Å; E321-R371 WeakPolarHBondContact OE2-CG 3.48Å; E321-R371 IonicContact OE2-CZ 2.63Å; E321-R371 IonicContact OE2-NE 3.38Å; E321-R371 PolarHBondContact OE2-NE 3.39Å; E321-R371 IonicContact OE2-NH2 3.96Å; E321-K374 IonicContact OE1-NZ 2.89Å; E321-K374 PolarHBondContact OE1-NZ 2.76Å; E321-K374 IonicContact OE2-NZ 2.95Å
322	T	96.9	Very high	94.7	Very high	63 Å²	63	57.5 Å²	57.5	39%	0.387	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.1	177	-59.8	0	0	0	0	109.4	T307 K309 P319	T307-T322 HydrophobicContact CG2-CG2 4.44Å; K309-T322 HydrophobicContact CG-CG2 4.1Å; P319-T322 WeakPolarHBondContact CG-OG1 3.4Å
323	Y	97.3	Very high	94.5	Very high	19 Å²	19	57.4 Å²	57.4	8%	0.075	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.7	-176.5	-62.4	-79.3	0	0	0	110.4	T307 A308 V310 E321 V325 I357 F369 R371 K374	T307-Y323 CarbonylContact C-O 3.29Å; T307-Y323 VanDerWaalsContact CA-O 3.23Å; T307-Y323 WeakPolarHBondContact CA-O 3.34Å; T307-Y323 WeakPolarHBondContact CB-O 3.4Å; A308-Y323 PolarHBondContact N-O 2.99Å; A308-Y323 WeakPolarHBondContact O-CB 2.88Å; A308-Y323 PolarHBondContact O-N 2.88Å; V310-Y323 HydrophobicContact CG2-CE2 4.12Å; E321-Y323 HydrophobicContact CB-CD2 4.45Å; E321-Y323 HydrophobicContact CB-CE2 3.62Å; E321-Y323 PolarHBondContact OE2-OH 2.92Å; Y323-V325 PolarHBondContact O-N 3.35Å; Y323-I357 HydrophobicContact CD2-CD1 3.38Å; Y323-I357 HydrophobicContact CE2-CD1 3.72Å; Y323-I357 HydrophobicContact CG-CD1 3.98Å; Y323-F369 HydrophobicContact CD1-CB 3.61Å; Y323-F369 AromaticContact CD1-CD1 3.46Å; Y323-F369 HydrophobicContact CD1-CD1 3.46Å; Y323-F369 VanDerWaalsContact CD1-CD1 3.46Å; Y323-F369 HydrophobicContact CD1-CE1 4.28Å; Y323-F369 AromaticContact CD1-CG 3.68Å; Y323-F369 HydrophobicContact CD1-CG 3.68Å; Y323-F369 HydrophobicContact CE1-CB 3.76Å; Y323-F369 HydrophobicContact CE1-CD1 4.33Å; Y323-F369 HydrophobicContact CE1-CG 4.34Å; Y323-F369 HydrophobicContact CG-CB 4.07Å; Y323-F369 AromaticContact CG-CD1 3.91Å; Y323-F369 HydrophobicContact CG-CD1 3.91Å; Y323-F369 HydrophobicContact CG-CD2 4.46Å; Y323-F369 HydrophobicContact CG-CE1 4.48Å; Y323-F369 AromaticContact CG-CG 3.91Å; Y323-F369 HydrophobicContact CG-CG 3.91Å; Y323-R371 WeakPolarHBondContact OH-CA 3.49Å; Y323-K374 PolarHBondContact OH-NZ 2.94Å
324	Q	96.4	Very high	94.4	Very high	86 Å²	86	59.8 Å²	59.8	40%	0.402	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.2	177.3	-59.6	-58.9	-31.6	0	0	109.5	D327	Q324-D327 HydrophobicContact CB-CB 4.18Å
325	V	95.5	Very high	94.2	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	30%	0.296	C	S	.	.	S	Bend	trans	-84.1	-57.8	-178	-175.9	0	0	0	0	110.2	L306 A308 Y323 T359 A361 R367 F369	L306-V325 PolarHBondContact O-N 2.67Å; A308-V325 HydrophobicContact CB-CG2 4.19Å; Y323-V325 PolarHBondContact O-N 3.35Å; V325-T359 HydrophobicContact CG1-CG2 4.07Å; V325-T359 HydrophobicContact CG2-CG2 3.81Å; V325-A361 HydrophobicContact CG1-CB 4.4Å; V325-R367 HydrophobicContact CG1-CG 4.22Å; V325-R367 WeakPolarHBondContact O-CD 3.4Å; V325-R367 PolarHBondContact O-NE 3.42Å; V325-R367 PolarHBondContact O-NH1 3.02Å; V325-F369 HydrophobicContact CG2-CE2 4.28Å; V325-F369 HydrophobicContact CG2-CZ 4.23Å
326	H	90.1	Very high	94.1	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-142.2	51.2	-178.6	52.3	-158.9	0	0	0	112	Y305 L306 Y328 L329 Y362	Y305-H326 PolarHBondContact O-CD2 2.78Å; Y305-H326 PolarHBondContact O-NE2 2.84Å; L306-H326 PolarHBondContact O-N 2.73Å; H326-Y328 HydrophobicContact CB-CD1 4.37Å; H326-Y328 HydrophobicContact CB-CD2 4.32Å; H326-Y328 HydrophobicContact CB-CE1 3.74Å; H326-Y328 HydrophobicContact CB-CE2 3.66Å; H326-Y328 WeakPolarHBondContact CB-OH 3.47Å; H326-Y328 PolarHBondContact O-N 3.03Å; H326-L329 HydrophobicContact CB-CD1 3.94Å; H326-L329 HydrophobicContact CB-CG 4.13Å; H326-L329 VanDerWaalsContact O-CB 3.3Å; H326-L329 WeakPolarHBondContact O-CB 3.32Å; H326-L329 PolarHBondContact O-N 3.48Å; H326-Y362 AromaticContact CE1-CD2 3.96Å; H326-Y362 AromaticContact CE1-CE2 3.74Å; H326-Y362 AromaticContact ND1-CD2 3.85Å
327	D	89.8	Confident	94.1	Very high	69 Å²	69	54 Å²	54	37%	0.369	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-57.5	-20.7	176.2	-171.3	57.5	0	0	0	113.1	Q324 L329 R330	Q324-D327 HydrophobicContact CB-CB 4.18Å; D327-L329 PolarHBondContact O-N 3.12Å; D327-R330 WeakPolarHBondContact O-CB 3.42Å; D327-R330 PolarHBondContact O-N 2.84Å; D327-R330 IonicContact OD1-NE 3.65Å; D327-R330 PolarHBondContact OD1-NE 3.05Å
328	Y	90.3	Very high	94.1	Very high	32 Å²	32	57 Å²	57	13%	0.125	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-60.1	-13.6	169.4	55.9	-107	0	0	0	114.2	H326 V397 V411 L414	H326-Y328 HydrophobicContact CB-CD1 4.37Å; H326-Y328 HydrophobicContact CB-CD2 4.32Å; H326-Y328 HydrophobicContact CB-CE1 3.74Å; H326-Y328 HydrophobicContact CB-CE2 3.66Å; H326-Y328 WeakPolarHBondContact CB-OH 3.47Å; H326-Y328 PolarHBondContact O-N 3.03Å; Y328-V397 HydrophobicContact CD1-CB 3.93Å; Y328-V397 HydrophobicContact CD1-CG1 3.99Å; Y328-V397 HydrophobicContact CD2-CB 4.5Å; Y328-V397 HydrophobicContact CD2-CG1 3.75Å; Y328-V397 HydrophobicContact CE1-CB 3.81Å; Y328-V397 HydrophobicContact CE1-CG1 4.11Å; Y328-V397 HydrophobicContact CE1-CG2 4.01Å; Y328-V397 HydrophobicContact CE2-CB 4.42Å; Y328-V397 HydrophobicContact CE2-CG1 3.91Å; Y328-V397 HydrophobicContact CE2-CG2 4.47Å; Y328-V397 HydrophobicContact CG-CB 4.28Å; Y328-V397 HydrophobicContact CG-CG1 3.81Å; Y328-V411 HydrophobicContact CD2-CG2 3.95Å; Y328-V411 HydrophobicContact CG-CG2 4.2Å; Y328-L414 HydrophobicContact CD2-CD1 4.1Å; Y328-L414 HydrophobicContact CE2-CD1 3.56Å
329	L	92.9	Very high	94	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-88.9	-6.5	174	-62.2	-177.8	0	0	0	113.9	H326 D327 S331 K332 L333 L336 Y362 V411 L414 F416	H326-L329 HydrophobicContact CB-CD1 3.94Å; H326-L329 HydrophobicContact CB-CG 4.13Å; H326-L329 VanDerWaalsContact O-CB 3.3Å; H326-L329 WeakPolarHBondContact O-CB 3.32Å; H326-L329 PolarHBondContact O-N 3.48Å; D327-L329 PolarHBondContact O-N 3.12Å; L329-S331 PolarHBondContact O-N 3.02Å; L329-S331 VanDerWaalsContact O-N 3.16Å; L329-K332 CarbonylContact O-C 3.58Å; L329-K332 WeakPolarHBondContact O-CA 3.39Å; L329-K332 WeakPolarHBondContact O-CB 3.29Å; L329-K332 PolarHBondContact O-N 2.98Å; L329-L333 PolarHBondContact O-N 3.13Å; L329-L336 HydrophobicContact CB-CD1 3.95Å; L329-L336 HydrophobicContact CD1-CD1 4.29Å; L329-L336 HydrophobicContact CG-CD1 4.5Å; L329-Y362 HydrophobicContact CD1-CD2 3.63Å; L329-Y362 HydrophobicContact CD1-CE2 3.82Å; L329-V411 HydrophobicContact CD2-CG1 4.12Å; L329-L414 HydrophobicContact CD2-CD1 4.03Å; L329-F416 HydrophobicContact CD1-CE1 4.24Å; L329-F416 HydrophobicContact CD2-CE1 3.7Å; L329-F416 HydrophobicContact CD2-CZ 3.9Å
330	R	91.5	Very high	93.9	Very high	145 Å²	145	61 Å²	61	55%	0.547	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-57.8	-33.4	-177.4	-175.7	177.2	-90.6	-95.1	-0.4	112.9	D327 K332 L333	D327-R330 WeakPolarHBondContact O-CB 3.42Å; D327-R330 PolarHBondContact O-N 2.84Å; D327-R330 IonicContact OD1-NE 3.65Å; D327-R330 PolarHBondContact OD1-NE 3.05Å; R330-K332 VanDerWaalsContact C-N 3.27Å; R330-K332 PolarHBondContact O-N 3.43Å; R330-L333 HydrophobicContact CG-CD1 4.44Å; R330-L333 WeakPolarHBondContact O-CG 3.25Å
331	S	90.6	Very high	93.9	Very high	102 Å²	102	57.9 Å²	57.9	71%	0.713	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-77.6	-8.9	175	61	0	0	0	0	114.2	L329	L329-S331 PolarHBondContact O-N 3.02Å; L329-S331 VanDerWaalsContact O-N 3.16Å
332	K	92.3	Very high	93.8	Very high	70 Å²	70	56.8 Å²	56.8	30%	0.304	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-108.1	3.1	-177.7	-61.8	-64.7	-171.8	172.3	0	113.4	L329 R330 C334 S335 L336 V411 D412	L329-K332 CarbonylContact O-C 3.58Å; L329-K332 WeakPolarHBondContact O-CA 3.39Å; L329-K332 WeakPolarHBondContact O-CB 3.29Å; L329-K332 PolarHBondContact O-N 2.98Å; R330-K332 VanDerWaalsContact C-N 3.27Å; R330-K332 PolarHBondContact O-N 3.43Å; K332-C334 PolarHBondContact O-N 2.99Å; K332-C334 VanDerWaalsContact O-N 3.14Å; K332-S335 PolarHBondContact O-N 3.01Å; K332-L336 HydrophobicContact CB-CD1 4.13Å; K332-L336 HydrophobicContact CB-CG 4.37Å; K332-L336 WeakPolarHBondContact O-CG 3.35Å; K332-L336 PolarHBondContact O-N 2.93Å; K332-V411 HydrophobicContact CG-CG1 4.07Å; K332-D412 WeakPolarHBondContact CE-OD1 3.48Å; K332-D412 IonicContact NZ-OD1 2.79Å; K332-D412 PolarHBondContact NZ-OD1 2.96Å
333	L	93.8	Very high	93.8	Very high	12 Å²	12	59 Å²	59	6%	0.063	30%	0.297	C	S	.	.	H	α-helix	trans	-52.6	-38.5	-176.3	-68.3	175.8	0	0	0	113.7	F281 I285 Y305 L329 R330 L336 Y337 I342	F281-L333 HydrophobicContact CB-CD1 4.11Å; F281-L333 HydrophobicContact CD1-CB 4.36Å; F281-L333 HydrophobicContact CD2-CB 4.23Å; F281-L333 HydrophobicContact CE2-CB 4.49Å; F281-L333 HydrophobicContact CG-CB 4.17Å; F281-L333 HydrophobicContact CG-CD1 4.41Å; I285-L333 HydrophobicContact CD1-CD1 4.42Å; I285-L333 HydrophobicContact CG2-CD2 3.94Å; Y305-L333 HydrophobicContact CD1-CD2 4.33Å; Y305-L333 HydrophobicContact CE1-CD2 4.18Å; L329-L333 PolarHBondContact O-N 3.13Å; R330-L333 HydrophobicContact CG-CD1 4.44Å; R330-L333 WeakPolarHBondContact O-CG 3.25Å; L333-L336 PolarHBondContact O-N 3.3Å; L333-Y337 WeakPolarHBondContact O-CB 3.24Å; L333-Y337 PolarHBondContact O-N 3.42Å; L333-I342 HydrophobicContact CD2-CD1 4.14Å
334	C	94.4	Very high	93.8	Very high	68 Å²	68	59 Å²	59	46%	0.459	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-47.6	176.2	-165.8	0	0	0	0	112.1	F281 K332 L336 Y337 E338	F281-C334 HydrophobicContact CZ-CB 4.24Å; K332-C334 PolarHBondContact O-N 2.99Å; K332-C334 VanDerWaalsContact O-N 3.14Å; C334-L336 VanDerWaalsContact C-N 3.34Å; C334-L336 PolarHBondContact O-N 3.04Å; C334-Y337 PolarHBondContact O-N 3.05Å; C334-E338 WeakPolarHBondContact O-CG 3.33Å; C334-E338 PolarHBondContact O-N 2.89Å
335	S	93.6	Very high	93.8	Very high	52 Å²	52	60.4 Å²	60.4	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-69.7	-31.8	178.4	175.4	0	0	0	0	112.4	K332 Y337 N339	K332-S335 PolarHBondContact O-N 3.01Å; S335-Y337 VanDerWaalsContact C-N 3.33Å; S335-N339 PolarHBondContact O-N 2.93Å; S335-N339 PolarHBondContact O-ND2 3.13Å
336	L	94.6	Very high	93.9	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-71.5	-31.2	175.7	-67.4	166.6	0	0	0	112	Y305 L329 K332 L333 C334 D340 C341 I342 F416	Y305-L336 HydrophobicContact CE1-CD1 4.21Å; L329-L336 HydrophobicContact CB-CD1 3.95Å; L329-L336 HydrophobicContact CD1-CD1 4.29Å; L329-L336 HydrophobicContact CG-CD1 4.5Å; K332-L336 HydrophobicContact CB-CD1 4.13Å; K332-L336 HydrophobicContact CB-CG 4.37Å; K332-L336 WeakPolarHBondContact O-CG 3.35Å; K332-L336 PolarHBondContact O-N 2.93Å; L333-L336 PolarHBondContact O-N 3.3Å; C334-L336 VanDerWaalsContact C-N 3.34Å; C334-L336 PolarHBondContact O-N 3.04Å; L336-D340 PolarHBondContact O-N 3.38Å; L336-C341 HydrophobicContact CB-CB 4.48Å; L336-C341 HydrophobicContact CD2-CB 3.83Å; L336-C341 PolarHBondContact O-N 3.26Å; L336-I342 HydrophobicContact CB-CB 4.31Å; L336-I342 PolarHBondContact O-N 3.48Å; L336-I342 VanDerWaalsContact O-N 3.08Å; L336-F416 HydrophobicContact CD2-CD1 3.73Å; L336-F416 HydrophobicContact CD2-CE1 3.65Å; L336-F416 HydrophobicContact CD2-CE2 4.48Å; L336-F416 HydrophobicContact CD2-CG 4.22Å; L336-F416 HydrophobicContact CD2-CZ 4.05Å
337	Y	95.5	Very high	94.3	Very high	96 Å²	96	61.3 Å²	61.3	38%	0.376	31%	0.307	S	S	.	.	H	α-helix	trans	-70.9	-43.1	172.4	178.3	-93.9	0	0	0	111.7	F280 F281 I284 L333 C334 S335 N339 D340 I342 F343	F280-Y337 HydrophobicContact CE1-CE2 4.35Å; F281-Y337 HydrophobicContact CE1-CD2 4.31Å; F281-Y337 HydrophobicContact CE1-CG 4.01Å; I284-Y337 HydrophobicContact CD1-CD2 3.79Å; I284-Y337 HydrophobicContact CD1-CE2 3.69Å; L333-Y337 WeakPolarHBondContact O-CB 3.24Å; L333-Y337 PolarHBondContact O-N 3.42Å; C334-Y337 PolarHBondContact O-N 3.05Å; S335-Y337 VanDerWaalsContact C-N 3.33Å; Y337-N339 PolarHBondContact O-N 3.22Å; Y337-D340 PolarHBondContact O-N 3.17Å; Y337-I342 HydrophobicContact CD2-CG2 3.99Å; Y337-F343 HydrophobicContact CD2-CE2 4.41Å; Y337-F343 HydrophobicContact CD2-CZ 4.07Å; Y337-F343 HydrophobicContact CE2-CE2 4.42Å; Y337-F343 AromaticContact CE2-CZ 3.86Å; Y337-F343 HydrophobicContact CE2-CZ 3.86Å
338	E	94.6	Very high	94.7	Very high	137 Å²	137	58.3 Å²	58.3	64%	0.64	29%	0.291	S	S	*	.	H	α-helix	trans	-62.8	-26.7	177.3	-73	171.3	-170.2	0	0	113.8	C334	C334-E338 WeakPolarHBondContact O-CG 3.33Å; C334-E338 PolarHBondContact O-N 2.89Å
339	N	93.4	Very high	95.1	Very high	103 Å²	103	57.3 Å²	57.3	55%	0.551	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	16	-179.9	-65.1	-39.8	0	0	0	113.3	S335 Y337 C341	S335-N339 PolarHBondContact O-N 2.93Å; S335-N339 PolarHBondContact O-ND2 3.13Å; Y337-N339 PolarHBondContact O-N 3.22Å; N339-C341 PolarHBondContact O-N 2.79Å; N339-C341 PolarHBondContact O-SG 3.11Å
340	D	95.8	Very high	95.3	Very high	110 Å²	110	58 Å²	58	59%	0.588	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	0.5	-178.9	-62.7	-46	0	0	0	116.9	L336 Y337 I342 F343	L336-D340 PolarHBondContact O-N 3.38Å; Y337-D340 PolarHBondContact O-N 3.17Å; D340-I342 PolarHBondContact O-N 3.44Å; D340-F343 HydrophobicContact CB-CD2 4.18Å; D340-F343 PolarHBondContact O-N 3.47Å
341	C	95.7	Very high	95.5	Very high	20 Å²	20	51.4 Å²	51.4	14%	0.135	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-61.6	-28.1	179.2	-65.4	0	0	0	0	111.7	Y305 L336 N339 F343 D344 Y362	Y305-C341 WeakPolarHBondContact CE2-O 3.31Å; Y305-C341 PolarHBondContact OH-O 3.38Å; L336-C341 HydrophobicContact CB-CB 4.48Å; L336-C341 HydrophobicContact CD2-CB 3.83Å; L336-C341 PolarHBondContact O-N 3.26Å; N339-C341 PolarHBondContact O-N 2.79Å; N339-C341 PolarHBondContact O-SG 3.11Å; C341-F343 PolarHBondContact O-N 2.74Å; C341-F343 VanDerWaalsContact O-N 3.1Å; C341-D344 VanDerWaalsContact O-CB 3.31Å; C341-D344 WeakPolarHBondContact O-CB 3.43Å; C341-D344 PolarHBondContact O-N 3.26Å; C341-Y362 HydrophobicContact CB-CE1 4.42Å; C341-Y362 PolarHBondContact O-OH 3.2Å
342	I	95.5	Very high	95.5	Very high	5 Å²	5	48 Å²	48	3%	0.026	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-61.2	-19.2	177	-158.3	168.9	0	0	0	113.4	F281 I284 I285 Y305 L333 L336 Y337 D340	F281-I342 HydrophobicContact CD1-CD1 4Å; I284-I342 HydrophobicContact CB-CD1 4.44Å; I284-I342 HydrophobicContact CG2-CD1 3.82Å; I284-I342 HydrophobicContact CG2-CG1 3.89Å; I284-I342 HydrophobicContact CG2-CG2 4.05Å; I285-I342 HydrophobicContact CG2-CD1 3.88Å; I285-I342 HydrophobicContact CG2-CG1 4.16Å; Y305-I342 HydrophobicContact CD1-CG1 4.25Å; Y305-I342 WeakPolarHBondContact CD2-O 3.47Å; Y305-I342 HydrophobicContact CE1-CG1 4.15Å; Y305-I342 HydrophobicContact CG-CG1 4.5Å; L333-I342 HydrophobicContact CD2-CD1 4.14Å; L336-I342 HydrophobicContact CB-CB 4.31Å; L336-I342 PolarHBondContact O-N 3.48Å; L336-I342 VanDerWaalsContact O-N 3.08Å; Y337-I342 HydrophobicContact CD2-CG2 3.99Å; D340-I342 PolarHBondContact O-N 3.44Å
343	F	96.4	Very high	95.6	Very high	109 Å²	109	48.4 Å²	48.4	48%	0.478	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-94	3.1	178.9	-55	-66.4	0	0	0	113.6	I284 Y337 D340 C341 K345	I284-F343 HydrophobicContact CG2-CD1 4.3Å; I284-F343 HydrophobicContact CG2-CE1 3.82Å; Y337-F343 HydrophobicContact CD2-CE2 4.41Å; Y337-F343 HydrophobicContact CD2-CZ 4.07Å; Y337-F343 HydrophobicContact CE2-CE2 4.42Å; Y337-F343 AromaticContact CE2-CZ 3.86Å; Y337-F343 HydrophobicContact CE2-CZ 3.86Å; D340-F343 HydrophobicContact CB-CD2 4.18Å; D340-F343 PolarHBondContact O-N 3.47Å; C341-F343 PolarHBondContact O-N 2.74Å; C341-F343 VanDerWaalsContact O-N 3.1Å; F343-K345 PolarHBondContact O-N 2.94Å
344	D	96.9	Very high	95.7	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.107	26%	0.261	C	S	.	.			trans	-60.9	125.1	175.3	-76	-38.5	0	0	0	111.3	C341 F346 Y362 K419 L421	C341-D344 VanDerWaalsContact O-CB 3.31Å; C341-D344 WeakPolarHBondContact O-CB 3.43Å; C341-D344 PolarHBondContact O-N 3.26Å; D344-F346 HydrophobicContact CB-CD2 4.28Å; D344-F346 HydrophobicContact CB-CE2 3.68Å; D344-F346 HydrophobicContact CB-CZ 4.2Å; D344-F346 PolarHBondContact O-N 3.48Å; D344-Y362 WeakPolarHBondContact OD2-CE1 3.32Å; D344-Y362 PolarHBondContact OD2-OH 2.84Å; D344-K419 IonicContact OD1-NZ 2.74Å; D344-K419 PolarHBondContact OD1-NZ 3.36Å; D344-K419 IonicContact OD2-NZ 3.19Å; D344-L421 HydrophobicContact CB-CD2 4.08Å
345	K	97.1	Very high	95.8	Very high	114 Å²	114	46.5 Å²	46.5	50%	0.496	25%	0.248	S	C	.	.			trans	-94	96	-179.1	-61.8	-175.9	-176.9	-178.4	0	110.1	F343	F343-K345 PolarHBondContact O-N 2.94Å
346	F	98.1	Very high	95.9	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	24%	0.235	C	C	.	.			trans	-79.8	133.7	176.2	-67.8	-87.8	0	0	0	111	S289 R303 Y305 D344 G360 Y362 I420 L421	S289-F346 WeakPolarHBondContact CB-O 3.45Å; S289-F346 PolarHBondContact OG-O 3.1Å; R303-F346 HydrophobicContact CG-CB 4.07Å; R303-F346 WeakPolarHBondContact CG-O 3.41Å; Y305-F346 HydrophobicContact CE2-CE2 4.21Å; D344-F346 HydrophobicContact CB-CD2 4.28Å; D344-F346 HydrophobicContact CB-CE2 3.68Å; D344-F346 HydrophobicContact CB-CZ 4.2Å; D344-F346 PolarHBondContact O-N 3.48Å; F346-G360 WeakPolarHBondContact CD1-O 3.09Å; F346-Y362 HydrophobicContact CE2-CE2 4.07Å; F346-Y362 AromaticContact CE2-CZ 3.95Å; F346-Y362 HydrophobicContact CZ-CD1 4.4Å; F346-Y362 HydrophobicContact CZ-CD2 4.2Å; F346-Y362 AromaticContact CZ-CE1 4Å; F346-Y362 HydrophobicContact CZ-CE1 4Å; F346-Y362 AromaticContact CZ-CE2 3.79Å; F346-Y362 HydrophobicContact CZ-CE2 3.79Å; F346-Y362 AromaticContact CZ-CZ 3.67Å; F346-I420 WeakPolarHBondContact CD1-O 3.49Å; F346-I420 WeakPolarHBondContact CE1-O 3.23Å; F346-L421 HydrophobicContact CD1-CD2 3.89Å; F346-L421 HydrophobicContact CE1-CD2 3.79Å; F346-L421 HydrophobicContact CE2-CD2 4.43Å; F346-L421 HydrophobicContact CG-CD2 4.25Å; F346-L421 HydrophobicContact CZ-CD2 4.08Å
347	E	98.1	Very high	96.1	Very high	20 Å²	20	44.5 Å²	44.5	9%	0.093	23%	0.234	C	C	.	.			trans	-86.7	164.3	172.3	-65	173.5	-178.9	0	0	111.9	K98 D290 T359 L421 H422	K98-E347 IonicContact NZ-OE1 3.37Å; K98-E347 PolarHBondContact NZ-OE1 2.75Å; D290-E347 WeakPolarHBondContact OD2-CA 3.37Å; E347-T359 WeakPolarHBondContact O-CB 3.32Å; E347-T359 PolarHBondContact O-OG1 3.14Å; E347-L421 VanDerWaalsContact CB-O 3.32Å; E347-L421 WeakPolarHBondContact CB-O 3.35Å; E347-L421 WeakPolarHBondContact CG-O 3.49Å; E347-L421 PolarHBondContact N-O 3.31Å; E347-H422 VanDerWaalsContact CD-ND1 3.32Å; E347-H422 IonicContact OE1-CE1 3.29Å; E347-H422 IonicContact OE1-ND1 2.65Å; E347-H422 PolarHBondContact OE1-ND1 2.71Å; E347-H422 WeakPolarHBondContact OE2-CA 3.21Å; E347-H422 IonicContact OE2-ND1 3.8Å
348	C	97.8	Very high	96.1	Very high	5 Å²	5	40 Å²	40	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.6	176.6	62.6	0	0	0	0	111.4	D290 L301 R303 M358	D290-C348 PolarHBondContact OD2-N 3.27Å; D290-C348 PolarHBondContact OD2-SG 2.72Å; L301-C348 HydrophobicContact CD2-CB 3.74Å; L301-C348 HydrophobicContact CG-CB 4.11Å; R303-C348 HydrophobicContact CB-CB 4.14Å; C348-M358 WeakPolarHBondContact CA-O 3.3Å
349	A	97.6	Very high	96.3	Very high	12 Å²	12	33.5 Å²	33.5	10%	0.099	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.2	-177.3	0	0	0	0	0	111.6	I357 M358 W425	A349-I357 CarbonylContact O-C 3.5Å; A349-I357 WeakPolarHBondContact O-CA 3.46Å; A349-M358 HydrophobicContact CB-CE 4.19Å; A349-M358 PolarHBondContact N-O 2.69Å; A349-M358 PolarHBondContact O-N 3.24Å; A349-W425 HydrophobicContact CB-CB 4.33Å
350	W	97.7	Very high	96.5	Very high	13 Å²	13	28.6 Å²	28.6	5%	0.049	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	147	167.6	-66.1	101.3	0	0	0	109.9	K292 F293 L301 V310 D354 I357 W425	K292-W350 PolarHBondContact O-NE1 3.46Å; K292-W350 VanDerWaalsContact O-NE1 3.12Å; F293-W350 VanDerWaalsContact O-CD1 3.32Å; F293-W350 PolarHBondContact O-NE1 2.97Å; L301-W350 HydrophobicContact CB-CD2 4.4Å; L301-W350 VanDerWaalsContact CB-CE2 3.42Å; L301-W350 HydrophobicContact CB-CH2 4.36Å; L301-W350 HydrophobicContact CB-CZ2 3.42Å; L301-W350 VanDerWaalsContact CB-CZ2 3.42Å; L301-W350 VanDerWaalsContact CB-NE1 3.34Å; L301-W350 HydrophobicContact CD2-CD2 4.31Å; L301-W350 HydrophobicContact CD2-CG 4.48Å; L301-W350 HydrophobicContact CG-CZ2 4.49Å; V310-W350 HydrophobicContact CB-CH2 4.49Å; V310-W350 HydrophobicContact CG1-CH2 3.78Å; V310-W350 HydrophobicContact CG1-CZ2 4.43Å; V310-W350 HydrophobicContact CG2-CH2 3.88Å; W350-D354 HydrophobicContact CE3-CB 4.05Å; W350-D354 HydrophobicContact CZ3-CB 4.26Å; W350-D354 WeakPolarHBondContact CZ3-O 3.28Å; W350-I357 HydrophobicContact CD2-CG2 4.16Å; W350-I357 HydrophobicContact CE3-CG2 3.54Å; W350-I357 HydrophobicContact CH2-CG2 4.24Å; W350-I357 HydrophobicContact CZ3-CG2 3.6Å; W350-W425 VanDerWaalsContact O-CB 3.3Å; W350-W425 WeakPolarHBondContact O-CB 3.1Å
351	N	95.8	Very high	96.5	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.037	13%	0.132	C	C	.	.			trans	-73.3	163.5	158.9	87	-42.7	0	0	0	110.5	H295 S353 D354 S355 V356 W425	H295-N351 PolarHBondContact CE1-O 3.44Å; H295-N351 VanDerWaalsContact CE1-O 3.26Å; H295-N351 PolarHBondContact ND1-O 3.19Å; N351-S353 PolarHBondContact ND2-OG 3.44Å; N351-S353 PolarHBondContact O-N 3.17Å; N351-D354 PolarHBondContact O-N 2.7Å; N351-D354 PolarHBondContact OD1-N 3.41Å; N351-D354 VanDerWaalsContact OD1-N 3.14Å; N351-S355 PolarHBondContact ND2-OG 3.46Å; N351-S355 PolarHBondContact OD1-N 2.92Å; N351-V356 HydrophobicContact CB-CB 4.21Å; N351-V356 PolarHBondContact N-O 2.89Å; N351-V356 PolarHBondContact OD1-N 2.95Å; N351-V356 PolarHBondContact OD1-O 3.22Å; N351-W425 HydrophobicContact CB-CD2 3.6Å; N351-W425 HydrophobicContact CB-CE3 3.88Å; N351-W425 HydrophobicContact CB-CG 4.25Å; N351-W425 HydrophobicContact CB-CH2 3.63Å; N351-W425 HydrophobicContact CB-CZ2 3.35Å; N351-W425 HydrophobicContact CB-CZ3 3.88Å
352	G	91.7	Very high	96.5	Very high	30 Å²	30	22.4 Å²	22.4	31%	0.309	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.9	-176.4	0	0	0	0	0	116.2	P427	G352-P427 WeakPolarHBondContact CA-O 3.4Å
353	S	93.6	Very high	96.4	Very high	80 Å²	80	23.1 Å²	23.1	56%	0.559	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	9	178.4	65	0	0	0	0	114.7	N351 S355	N351-S353 PolarHBondContact ND2-OG 3.44Å; N351-S353 PolarHBondContact O-N 3.17Å; S353-S355 PolarHBondContact O-N 3.36Å; S353-S355 PolarHBondContact OG-OG 3.31Å
354	D	96.5	Very high	96.3	Very high	12 Å²	12	18.9 Å²	18.9	6%	0.064	11%	0.112	C	C	.	.	S	Bend	trans	55.9	17.1	-175.7	-57.2	-29.7	0	0	0	114.6	S294 H295 S296 W350 N351 R371	S294-D354 WeakPolarHBondContact CB-OD2 3.39Å; H295-D354 WeakPolarHBondContact CB-OD1 3.3Å; H295-D354 IonicContact CE1-OD1 3.59Å; H295-D354 IonicContact CG-OD1 2.62Å; H295-D354 PolarHBondContact N-OD1 3.48Å; H295-D354 PolarHBondContact N-OD2 2.94Å; H295-D354 VanDerWaalsContact N-OD2 3.16Å; H295-D354 IonicContact ND1-OD1 3.89Å; H295-D354 PolarHBondContact ND1-OD1 3.5Å; S296-D354 VanDerWaalsContact CB-OD2 3.3Å; S296-D354 WeakPolarHBondContact CB-OD2 3.49Å; S296-D354 PolarHBondContact N-OD2 2.78Å; S296-D354 PolarHBondContact OG-OD2 3.08Å; W350-D354 HydrophobicContact CE3-CB 4.05Å; W350-D354 HydrophobicContact CZ3-CB 4.26Å; W350-D354 WeakPolarHBondContact CZ3-O 3.28Å; N351-D354 PolarHBondContact O-N 2.7Å; N351-D354 PolarHBondContact OD1-N 3.41Å; N351-D354 VanDerWaalsContact OD1-N 3.14Å; D354-R371 VanDerWaalsContact O-CD 3.3Å; D354-R371 WeakPolarHBondContact O-CD 3.43Å; D354-R371 PolarHBondContact O-NH1 3.3Å
355	S	95.5	Very high	96.3	Very high	27 Å²	27	18 Å²	18	19%	0.189	11%	0.107	C	C	.	.	S	Bend	trans	-97.5	-19.3	-174.1	63.6	0	0	0	0	113.9	N351 S353 R371	N351-S355 PolarHBondContact ND2-OG 3.46Å; N351-S355 PolarHBondContact OD1-N 2.92Å; S353-S355 PolarHBondContact O-N 3.36Å; S353-S355 PolarHBondContact OG-OG 3.31Å; S355-R371 WeakPolarHBondContact O-CB 3.24Å; S355-R371 WeakPolarHBondContact O-CG 3.19Å; S355-R371 PolarHBondContact O-N 2.65Å
356	V	96.7	Very high	96.2	Very high	12 Å²	12	12.5 Å²	12.5	7%	0.073	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.1	177.6	-174	0	0	0	0	108.4	L2 N351 M368 F369 D370 W425	L2-V356 HydrophobicContact CD2-CG1 3.82Å; N351-V356 HydrophobicContact CB-CB 4.21Å; N351-V356 PolarHBondContact N-O 2.89Å; N351-V356 PolarHBondContact OD1-N 2.95Å; N351-V356 PolarHBondContact OD1-O 3.22Å; V356-M368 HydrophobicContact CG1-CB 4.3Å; V356-M368 HydrophobicContact CG1-CE 4.32Å; V356-F369 WeakPolarHBondContact CA-O 3.38Å; V356-F369 WeakPolarHBondContact CG1-O 3.32Å; V356-D370 HydrophobicContact CG2-CB 4.33Å; V356-W425 HydrophobicContact CB-CH2 3.85Å; V356-W425 HydrophobicContact CB-CZ3 4.27Å; V356-W425 HydrophobicContact CG1-CH2 3.62Å; V356-W425 HydrophobicContact CG1-CZ3 3.91Å
357	I	97.3	Very high	96.1	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.7	173.5	61.1	166	0	0	0	109.8	L301 A308 Y323 A349 W350 M368 F369	L301-I357 HydrophobicContact CD1-CB 4.44Å; L301-I357 HydrophobicContact CD1-CD1 3.94Å; L301-I357 HydrophobicContact CD1-CG2 4.12Å; L301-I357 HydrophobicContact CD2-CB 4.08Å; L301-I357 HydrophobicContact CD2-CG2 3.88Å; A308-I357 HydrophobicContact CB-CD1 4.18Å; Y323-I357 HydrophobicContact CD2-CD1 3.38Å; Y323-I357 HydrophobicContact CE2-CD1 3.72Å; Y323-I357 HydrophobicContact CG-CD1 3.98Å; A349-I357 CarbonylContact O-C 3.5Å; A349-I357 WeakPolarHBondContact O-CA 3.46Å; W350-I357 HydrophobicContact CD2-CG2 4.16Å; W350-I357 HydrophobicContact CE3-CG2 3.54Å; W350-I357 HydrophobicContact CH2-CG2 4.24Å; W350-I357 HydrophobicContact CZ3-CG2 3.6Å; I357-M368 CarbonylContact O-C 3.54Å; I357-M368 VanDerWaalsContact O-CA 3.24Å; I357-M368 WeakPolarHBondContact O-CA 3.15Å; I357-F369 HydrophobicContact CD1-CB 4.07Å; I357-F369 HydrophobicContact CD1-CD2 3.98Å; I357-F369 HydrophobicContact CD1-CG 4.32Å; I357-F369 HydrophobicContact CG1-CB 3.66Å; I357-F369 HydrophobicContact CG1-CD2 3.93Å; I357-F369 HydrophobicContact CG1-CG 4.23Å; I357-F369 PolarHBondContact N-O 3.29Å; I357-F369 PolarHBondContact O-N 3.05Å
358	M	97.4	Very high	96	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.3	176.5	178.7	179.1	63.3	0	0	110.4	C348 A349 F366 R367 M368 T423 W425 I432 I434	C348-M358 WeakPolarHBondContact CA-O 3.3Å; A349-M358 HydrophobicContact CB-CE 4.19Å; A349-M358 PolarHBondContact N-O 2.69Å; A349-M358 PolarHBondContact O-N 3.24Å; M358-F366 HydrophobicContact SD-CD2 4.33Å; M358-R367 VanDerWaalsContact CA-O 3.32Å; M358-R367 WeakPolarHBondContact CA-O 3.35Å; M358-M368 HydrophobicContact CB-CG 4.38Å; M358-M368 HydrophobicContact CG-CG 4.26Å; M358-T423 HydrophobicContact CE-CG2 4.49Å; M358-W425 HydrophobicContact CB-CE3 3.76Å; M358-W425 HydrophobicContact CB-CZ3 3.75Å; M358-W425 HydrophobicContact CE-CE3 4.27Å; M358-W425 HydrophobicContact SD-CE3 4.49Å; M358-I432 HydrophobicContact CE-CB 4.17Å; M358-I432 HydrophobicContact CE-CG2 4.08Å; M358-I432 HydrophobicContact SD-CB 4.03Å; M358-I432 HydrophobicContact SD-CD1 3.92Å; M358-I432 HydrophobicContact SD-CG2 3.95Å; M358-I434 HydrophobicContact SD-CD1 4.21Å; M358-I434 HydrophobicContact SD-CG1 4.5Å
359	T	98.1	Very high	95.9	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	155.6	171.7	-171.5	0	0	0	0	111.1	R303 V325 E347 F366 R367 F369	R303-T359 PolarHBondContact NH1-OG1 2.78Å; V325-T359 HydrophobicContact CG1-CG2 4.07Å; V325-T359 HydrophobicContact CG2-CG2 3.81Å; E347-T359 WeakPolarHBondContact O-CB 3.32Å; E347-T359 PolarHBondContact O-OG1 3.14Å; T359-F366 WeakPolarHBondContact O-CA 3.44Å; T359-R367 PolarHBondContact N-O 2.81Å; T359-R367 PolarHBondContact O-N 3.39Å; T359-F369 HydrophobicContact CG2-CE2 4.23Å
360	G	97.1	Very high	95.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	168.1	-180	0	0	0	0	0	114.8	R303 F346 I420	R303-G360 PolarHBondContact NH1-O 2.79Å; F346-G360 WeakPolarHBondContact CD1-O 3.09Å; G360-I420 VanDerWaalsContact CA-O 3.32Å; G360-I420 WeakPolarHBondContact CA-O 3.45Å
361	A	96.6	Very high	95.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.083	C	C	.	.			trans	-152.7	-177.2	175.2	0	0	0	0	0	110.1	V325 F365 I420	V325-A361 HydrophobicContact CG1-CB 4.4Å; A361-F365 CarbonylContact C-O 3.59Å; A361-F365 WeakPolarHBondContact CA-O 3.49Å; A361-F365 HydrophobicContact CB-CB 4.12Å; A361-F365 PolarHBondContact N-O 3.12Å; A361-I420 PolarHBondContact O-N 2.9Å; A361-I420 VanDerWaalsContact O-N 3.14Å
362	Y	95.8	Very high	95.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-76.7	171.3	176.2	-62.6	-76	0	0	0	113.4	Y305 H326 L329 C341 D344 F346 N364 F365 F416 K418 K419	Y305-Y362 HydrophobicContact CE2-CE2 4.45Å; Y305-Y362 WeakPolarHBondContact CE2-OH 3.27Å; Y305-Y362 WeakPolarHBondContact OH-CE2 3.42Å; Y305-Y362 PolarHBondContact OH-OH 2.91Å; H326-Y362 AromaticContact CE1-CD2 3.96Å; H326-Y362 AromaticContact CE1-CE2 3.74Å; H326-Y362 AromaticContact ND1-CD2 3.85Å; L329-Y362 HydrophobicContact CD1-CD2 3.63Å; L329-Y362 HydrophobicContact CD1-CE2 3.82Å; C341-Y362 HydrophobicContact CB-CE1 4.42Å; C341-Y362 PolarHBondContact O-OH 3.2Å; D344-Y362 WeakPolarHBondContact OD2-CE1 3.32Å; D344-Y362 PolarHBondContact OD2-OH 2.84Å; F346-Y362 HydrophobicContact CE2-CE2 4.07Å; F346-Y362 AromaticContact CE2-CZ 3.95Å; F346-Y362 HydrophobicContact CZ-CD1 4.4Å; F346-Y362 HydrophobicContact CZ-CD2 4.2Å; F346-Y362 AromaticContact CZ-CE1 4Å; F346-Y362 HydrophobicContact CZ-CE1 4Å; F346-Y362 AromaticContact CZ-CE2 3.79Å; F346-Y362 HydrophobicContact CZ-CE2 3.79Å; F346-Y362 AromaticContact CZ-CZ 3.67Å; Y362-N364 VanDerWaalsContact C-N 3.27Å; Y362-N364 PolarHBondContact O-N 3.31Å; Y362-F365 VanDerWaalsContact O-CB 3.24Å; Y362-F365 WeakPolarHBondContact O-CB 3.37Å; Y362-F365 WeakPolarHBondContact O-CD2 3.49Å; Y362-F365 WeakPolarHBondContact O-CG 3.37Å; Y362-F365 PolarHBondContact O-N 3.01Å; Y362-F416 HydrophobicContact CD1-CB 4.13Å; Y362-F416 AromaticContact CD1-CD1 3.75Å; Y362-F416 HydrophobicContact CD1-CD1 3.75Å; Y362-F416 HydrophobicContact CD1-CG 4.45Å; Y362-F416 WeakPolarHBondContact CD1-O 3.42Å; Y362-F416 AromaticContact CD2-CD1 3.9Å; Y362-F416 HydrophobicContact CD2-CD1 3.9Å; Y362-F416 HydrophobicContact CD2-CE1 4.17Å; Y362-F416 HydrophobicContact CE1-CB 4.39Å; Y362-F416 HydrophobicContact CE1-CD1 4.13Å; Y362-F416 HydrophobicContact CE2-CD1 4.27Å; Y362-F416 AromaticContact CG-CD1 3.61Å; Y362-F416 HydrophobicContact CG-CD1 3.61Å; Y362-F416 HydrophobicContact CG-CE1 4.21Å; Y362-K418 CarbonylContact C-O 3.56Å; Y362-K418 VanDerWaalsContact C-O 3.29Å; Y362-K418 WeakPolarHBondContact CA-O 3.35Å; Y362-K419 HydrophobicContact CD1-CB 4.02Å; Y362-K419 HydrophobicContact CE1-CB 4.22Å
363	N	93.8	Very high	95.6	Very high	20 Å²	20	20.6 Å²	20.6	11%	0.107	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	36.4	-175.4	-161.1	71.4	0	0	0	113.5	F365 L414 D415 K418	N363-F365 HydrophobicContact CB-CD2 4.19Å; N363-F365 HydrophobicContact CB-CE1 4.44Å; N363-F365 HydrophobicContact CB-CE2 3.97Å; N363-F365 HydrophobicContact CB-CZ 4.1Å; N363-F365 WeakPolarHBondContact ND2-CE1 3.23Å; N363-F365 WeakPolarHBondContact ND2-CZ 2.97Å; N363-F365 WeakPolarHBondContact O-CD1 3.42Å; N363-F365 PolarHBondContact O-N 2.94Å; N363-F365 VanDerWaalsContact O-N 3.16Å; N363-L414 HydrophobicContact CB-CB 4.5Å; N363-L414 HydrophobicContact CB-CD2 3.83Å; N363-D415 WeakPolarHBondContact CA-O 3.21Å; N363-D415 PolarHBondContact N-O 2.66Å; N363-D415 VanDerWaalsContact N-O 3.1Å; N363-D415 PolarHBondContact OD1-N 2.88Å; N363-K418 WeakPolarHBondContact CA-O 3.12Å; N363-K418 PolarHBondContact N-O 3.26Å
364	N	93.9	Very high	95.5	Very high	20 Å²	20	22.4 Å²	22.4	11%	0.107	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	30.7	-170.2	-67.9	-12.4	0	0	0	113.5	Y362 E380 A381 K418 I420	Y362-N364 VanDerWaalsContact C-N 3.27Å; Y362-N364 PolarHBondContact O-N 3.31Å; N364-E380 WeakPolarHBondContact O-CA 3.16Å; N364-A381 WeakPolarHBondContact CB-O 3.46Å; N364-A381 PolarHBondContact ND2-O 3.41Å; N364-A381 VanDerWaalsContact ND2-O 3.12Å; N364-A381 PolarHBondContact O-N 3.31Å; N364-K418 PolarHBondContact N-O 3.25Å; N364-K418 WeakPolarHBondContact OD1-CB 3.37Å; N364-I420 HydrophobicContact CB-CD1 4.35Å; N364-I420 WeakPolarHBondContact O-CD1 3.4Å
365	F	95.4	Very high	95.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	146.1	173.8	-63.1	-24.5	0	0	0	111.8	A361 Y362 N363 T378 L379 E380 R395 V397 I409 L414	A361-F365 CarbonylContact C-O 3.59Å; A361-F365 WeakPolarHBondContact CA-O 3.49Å; A361-F365 HydrophobicContact CB-CB 4.12Å; A361-F365 PolarHBondContact N-O 3.12Å; Y362-F365 VanDerWaalsContact O-CB 3.24Å; Y362-F365 WeakPolarHBondContact O-CB 3.37Å; Y362-F365 WeakPolarHBondContact O-CD2 3.49Å; Y362-F365 WeakPolarHBondContact O-CG 3.37Å; Y362-F365 PolarHBondContact O-N 3.01Å; N363-F365 HydrophobicContact CB-CD2 4.19Å; N363-F365 HydrophobicContact CB-CE1 4.44Å; N363-F365 HydrophobicContact CB-CE2 3.97Å; N363-F365 HydrophobicContact CB-CZ 4.1Å; N363-F365 WeakPolarHBondContact ND2-CE1 3.23Å; N363-F365 WeakPolarHBondContact ND2-CZ 2.97Å; N363-F365 WeakPolarHBondContact O-CD1 3.42Å; N363-F365 PolarHBondContact O-N 2.94Å; N363-F365 VanDerWaalsContact O-N 3.16Å; F365-T378 HydrophobicContact CB-CG2 3.87Å; F365-T378 HydrophobicContact CD2-CG2 4.09Å; F365-T378 HydrophobicContact CG-CG2 3.91Å; F365-L379 VanDerWaalsContact CA-O 3.23Å; F365-L379 WeakPolarHBondContact CA-O 3.35Å; F365-E380 HydrophobicContact CD1-CB 3.8Å; F365-E380 HydrophobicContact CD1-CG 4.03Å; F365-E380 HydrophobicContact CE1-CB 3.84Å; F365-E380 HydrophobicContact CE1-CG 3.88Å; F365-R395 HydrophobicContact CE1-CB 4.2Å; F365-R395 HydrophobicContact CE1-CG 4Å; F365-R395 HydrophobicContact CZ-CB 4.32Å; F365-R395 HydrophobicContact CZ-CG 4.48Å; F365-V397 HydrophobicContact CD2-CG2 4.13Å; F365-V397 HydrophobicContact CE2-CG2 3.63Å; F365-I409 HydrophobicContact CE1-CD1 4.31Å; F365-I409 HydrophobicContact CE2-CD1 4.49Å; F365-I409 HydrophobicContact CZ-CD1 3.56Å; F365-L414 HydrophobicContact CE2-CD2 3.8Å
366	F	95.9	Very high	95.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	152	164.9	63.9	-82.3	0	0	0	108.6	M358 T359 M368 L379 L392 I420 I432 I434 F443	M358-F366 HydrophobicContact SD-CD2 4.33Å; T359-F366 WeakPolarHBondContact O-CA 3.44Å; F366-M368 HydrophobicContact CD2-CG 4.29Å; F366-M368 HydrophobicContact CE2-CG 4.44Å; F366-M368 HydrophobicContact CE2-SD 4.11Å; F366-L379 HydrophobicContact CD1-CB 4.13Å; F366-L379 HydrophobicContact CD2-CB 4.28Å; F366-L379 HydrophobicContact CE1-CB 3.54Å; F366-L379 HydrophobicContact CE2-CB 3.72Å; F366-L379 HydrophobicContact CE2-CD1 3.69Å; F366-L379 HydrophobicContact CE2-CG 4.25Å; F366-L379 HydrophobicContact CG-CB 4.48Å; F366-L379 HydrophobicContact CZ-CB 3.32Å; F366-L379 HydrophobicContact CZ-CD1 3.72Å; F366-L379 HydrophobicContact CZ-CG 4.15Å; F366-L379 PolarHBondContact N-O 3.33Å; F366-L379 PolarHBondContact O-N 3.16Å; F366-L392 HydrophobicContact CE1-CD1 4.39Å; F366-L392 HydrophobicContact CZ-CD1 3.97Å; F366-I420 HydrophobicContact CB-CD1 4.19Å; F366-I420 HydrophobicContact CD1-CD1 4.12Å; F366-I432 HydrophobicContact CD2-CD1 4.49Å; F366-I432 HydrophobicContact CE2-CD1 3.7Å; F366-I432 HydrophobicContact CZ-CD1 4.18Å; F366-I434 HydrophobicContact CB-CD1 3.99Å; F366-I434 HydrophobicContact CD1-CD1 3.42Å; F366-I434 VanDerWaalsContact CD1-CD1 3.42Å; F366-I434 HydrophobicContact CD2-CD1 3.48Å; F366-I434 VanDerWaalsContact CD2-CD1 3.48Å; F366-I434 HydrophobicContact CE1-CD1 3.57Å; F366-I434 HydrophobicContact CE2-CD1 3.63Å; F366-I434 HydrophobicContact CG-CD1 3.36Å; F366-I434 HydrophobicContact CZ-CD1 3.66Å; F366-F443 HydrophobicContact CE1-CD2 4.35Å; F366-F443 AromaticContact CE1-CE2 3.84Å; F366-F443 HydrophobicContact CE1-CE2 3.84Å; F366-F443 HydrophobicContact CE1-CZ 4.47Å; F366-F443 AromaticContact CZ-CD2 3.99Å; F366-F443 HydrophobicContact CZ-CD2 3.99Å; F366-F443 AromaticContact CZ-CE2 3.95Å; F366-F443 HydrophobicContact CZ-CE2 3.95Å
367	R	95.8	Very high	94.9	Very high	29 Å²	29	33.4 Å²	33.4	11%	0.109	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.9	-177.4	-60.7	-166.2	73.6	120.1	6.6	110.3	V325 M358 T359 F369 D376 V377 T378	V325-R367 HydrophobicContact CG1-CG 4.22Å; V325-R367 WeakPolarHBondContact O-CD 3.4Å; V325-R367 PolarHBondContact O-NE 3.42Å; V325-R367 PolarHBondContact O-NH1 3.02Å; M358-R367 VanDerWaalsContact CA-O 3.32Å; M358-R367 WeakPolarHBondContact CA-O 3.35Å; T359-R367 PolarHBondContact N-O 2.81Å; T359-R367 PolarHBondContact O-N 3.39Å; R367-F369 HydrophobicContact CB-CD2 4.47Å; R367-F369 HydrophobicContact CB-CE2 3.62Å; R367-F369 HydrophobicContact CB-CZ 3.82Å; R367-D376 IonicContact CZ-OD2 3.31Å; R367-D376 IonicContact NH2-OD2 2.65Å; R367-D376 PolarHBondContact NH2-OD2 3.08Å; R367-V377 WeakPolarHBondContact CA-O 3.12Å; R367-T378 HydrophobicContact CG-CG2 4.27Å; R367-T378 PolarHBondContact NE-OG1 2.91Å; R367-T378 PolarHBondContact NH1-OG1 3.32Å; R367-T378 PolarHBondContact NH2-OG1 3.11Å
368	M	95.9	Very high	94.7	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.034	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.9	174	-53.2	170.5	74.1	0	0	109.1	L2 I5 V356 I357 M358 F366 D376 V377 L379 W425	L2-M368 HydrophobicContact CD2-CB 3.85Å; L2-M368 HydrophobicContact CD2-CE 4.19Å; I5-M368 HydrophobicContact CD1-CE 3.71Å; I5-M368 HydrophobicContact CD1-SD 3.27Å; I5-M368 WeakPolarHBondContact CD1-SD 3.41Å; V356-M368 HydrophobicContact CG1-CB 4.3Å; V356-M368 HydrophobicContact CG1-CE 4.32Å; I357-M368 CarbonylContact O-C 3.54Å; I357-M368 VanDerWaalsContact O-CA 3.24Å; I357-M368 WeakPolarHBondContact O-CA 3.15Å; M358-M368 HydrophobicContact CB-CG 4.38Å; M358-M368 HydrophobicContact CG-CG 4.26Å; F366-M368 HydrophobicContact CD2-CG 4.29Å; F366-M368 HydrophobicContact CE2-CG 4.44Å; F366-M368 HydrophobicContact CE2-SD 4.11Å; M368-D376 CarbonylContact O-C 3.56Å; M368-D376 VanDerWaalsContact O-CA 3.24Å; M368-D376 WeakPolarHBondContact O-CA 3.04Å; M368-V377 HydrophobicContact CB-CG1 3.94Å; M368-V377 HydrophobicContact CG-CG1 4.44Å; M368-V377 PolarHBondContact N-O 2.68Å; M368-V377 PolarHBondContact O-N 3.05Å; M368-V377 HydrophobicContact SD-CG1 4.41Å; M368-L379 HydrophobicContact SD-CD1 4.22Å; M368-W425 HydrophobicContact CE-CH2 3.15Å; M368-W425 HydrophobicContact CE-CZ2 3.99Å; M368-W425 HydrophobicContact CE-CZ3 3.59Å
369	F	96.3	Very high	94.5	Very high	6 Å²	6	34 Å²	34	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.7	-178.4	-51.9	-95.5	0	0	0	109.3	Y323 V325 V356 I357 T359 R367 D376	Y323-F369 HydrophobicContact CD1-CB 3.61Å; Y323-F369 AromaticContact CD1-CD1 3.46Å; Y323-F369 HydrophobicContact CD1-CD1 3.46Å; Y323-F369 VanDerWaalsContact CD1-CD1 3.46Å; Y323-F369 HydrophobicContact CD1-CE1 4.28Å; Y323-F369 AromaticContact CD1-CG 3.68Å; Y323-F369 HydrophobicContact CD1-CG 3.68Å; Y323-F369 HydrophobicContact CE1-CB 3.76Å; Y323-F369 HydrophobicContact CE1-CD1 4.33Å; Y323-F369 HydrophobicContact CE1-CG 4.34Å; Y323-F369 HydrophobicContact CG-CB 4.07Å; Y323-F369 AromaticContact CG-CD1 3.91Å; Y323-F369 HydrophobicContact CG-CD1 3.91Å; Y323-F369 HydrophobicContact CG-CD2 4.46Å; Y323-F369 HydrophobicContact CG-CE1 4.48Å; Y323-F369 AromaticContact CG-CG 3.91Å; Y323-F369 HydrophobicContact CG-CG 3.91Å; V325-F369 HydrophobicContact CG2-CE2 4.28Å; V325-F369 HydrophobicContact CG2-CZ 4.23Å; V356-F369 WeakPolarHBondContact CA-O 3.38Å; V356-F369 WeakPolarHBondContact CG1-O 3.32Å; I357-F369 HydrophobicContact CD1-CB 4.07Å; I357-F369 HydrophobicContact CD1-CD2 3.98Å; I357-F369 HydrophobicContact CD1-CG 4.32Å; I357-F369 HydrophobicContact CG1-CB 3.66Å; I357-F369 HydrophobicContact CG1-CD2 3.93Å; I357-F369 HydrophobicContact CG1-CG 4.23Å; I357-F369 PolarHBondContact N-O 3.29Å; I357-F369 PolarHBondContact O-N 3.05Å; T359-F369 HydrophobicContact CG2-CE2 4.23Å; R367-F369 HydrophobicContact CB-CD2 4.47Å; R367-F369 HydrophobicContact CB-CE2 3.62Å; R367-F369 HydrophobicContact CB-CZ 3.82Å; F369-D376 HydrophobicContact CD1-CB 3.37Å; F369-D376 HydrophobicContact CE1-CB 3.7Å; F369-D376 HydrophobicContact CG-CB 4.23Å
370	D	95.5	Very high	94.2	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.7	175.1	-179.9	-49.1	0	0	0	108.7	M1 L2 V356 N372 T373 K374 R375	M1-D370 WeakPolarHBondContact CA-OD2 3.23Å; M1-D370 PolarHBondContact N-OD2 3.49Å; L2-D370 HydrophobicContact CD1-CB 4.28Å; L2-D370 HydrophobicContact CG-CB 4.06Å; V356-D370 HydrophobicContact CG2-CB 4.33Å; D370-N372 VanDerWaalsContact C-N 3.3Å; D370-N372 PolarHBondContact O-N 2.69Å; D370-N372 PolarHBondContact OD1-N 2.9Å; D370-N372 VanDerWaalsContact OD1-N 3.08Å; D370-T373 WeakPolarHBondContact CB-OG1 3.28Å; D370-T373 PolarHBondContact OD1-N 3.2Å; D370-T373 PolarHBondContact OD1-OG1 2.83Å; D370-T373 PolarHBondContact OD2-OG1 3.14Å; D370-K374 VanDerWaalsContact O-CA 3.27Å; D370-K374 WeakPolarHBondContact O-CA 3.49Å; D370-K374 PolarHBondContact O-N 2.96Å; D370-R375 PolarHBondContact N-O 2.9Å
371	R	94.9	Very high	93.8	Very high	21 Å²	21	35.4 Å²	35.4	8%	0.079	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-32.2	-173.3	-64.6	177.4	60.3	-152.5	1.4	112.9	E321 Y323 D354 S355 K374	E321-R371 IonicContact OE1-NE 3.34Å; E321-R371 WeakPolarHBondContact OE2-CG 3.48Å; E321-R371 IonicContact OE2-CZ 2.63Å; E321-R371 IonicContact OE2-NE 3.38Å; E321-R371 PolarHBondContact OE2-NE 3.39Å; E321-R371 IonicContact OE2-NH2 3.96Å; Y323-R371 WeakPolarHBondContact OH-CA 3.49Å; D354-R371 VanDerWaalsContact O-CD 3.3Å; D354-R371 WeakPolarHBondContact O-CD 3.43Å; D354-R371 PolarHBondContact O-NH1 3.3Å; S355-R371 WeakPolarHBondContact O-CB 3.24Å; S355-R371 WeakPolarHBondContact O-CG 3.19Å; S355-R371 PolarHBondContact O-N 2.65Å; R371-K374 WeakPolarHBondContact O-CD 3.17Å; R371-K374 WeakPolarHBondContact O-CE 3.39Å; R371-K374 PolarHBondContact O-NZ 3.5Å
372	N	93.4	Very high	93.2	Very high	131 Å²	131	36.6 Å²	36.6	70%	0.701	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-46.6	-176.4	-64.2	-35.8	0	0	0	111.3	D370	D370-N372 VanDerWaalsContact C-N 3.3Å; D370-N372 PolarHBondContact O-N 2.69Å; D370-N372 PolarHBondContact OD1-N 2.9Å; D370-N372 VanDerWaalsContact OD1-N 3.08Å
373	T	92.1	Very high	92.1	Very high	61 Å²	61	45.2 Å²	45.2	37%	0.374	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-11.8	-176.4	64.6	0	0	0	0	113.5	D370 R375	D370-T373 WeakPolarHBondContact CB-OG1 3.28Å; D370-T373 PolarHBondContact OD1-N 3.2Å; D370-T373 PolarHBondContact OD1-OG1 2.83Å; D370-T373 PolarHBondContact OD2-OG1 3.14Å; T373-R375 PolarHBondContact O-N 3.46Å; T373-R375 VanDerWaalsContact O-N 3.12Å; T373-R375 PolarHBondContact OG1-N 3.31Å
374	K	90.6	Very high	90.9	Very high	117 Å²	117	53 Å²	53	51%	0.509	25%	0.245	S	C	.	.			trans	56.3	21.4	-173.7	-54.6	-59.2	-176.4	-161.8	0	113.4	E321 Y323 D370 R371	E321-K374 IonicContact OE1-NZ 2.89Å; E321-K374 PolarHBondContact OE1-NZ 2.76Å; E321-K374 IonicContact OE2-NZ 2.95Å; Y323-K374 PolarHBondContact OH-NZ 2.94Å; D370-K374 VanDerWaalsContact O-CA 3.27Å; D370-K374 WeakPolarHBondContact O-CA 3.49Å; D370-K374 PolarHBondContact O-N 2.96Å; R371-K374 WeakPolarHBondContact O-CD 3.17Å; R371-K374 WeakPolarHBondContact O-CE 3.39Å; R371-K374 PolarHBondContact O-NZ 3.5Å
375	R	91.5	Very high	89.4	Confident	176 Å²	176	54.2 Å²	54.2	66%	0.664	26%	0.255	S	S	*	.			trans	-89.2	145.8	173.4	-66.2	-175.4	-179.9	-178.4	1.7	109.8	D370 T373	D370-R375 PolarHBondContact N-O 2.9Å; T373-R375 PolarHBondContact O-N 3.46Å; T373-R375 VanDerWaalsContact O-N 3.12Å; T373-R375 PolarHBondContact OG1-N 3.31Å
376	D	92.6	Very high	88	Confident	81 Å²	81	54.2 Å²	54.2	43%	0.433	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.1	175.3	70.4	-76.1	0	0	0	111.3	R367 M368 F369	R367-D376 IonicContact CZ-OD2 3.31Å; R367-D376 IonicContact NH2-OD2 2.65Å; R367-D376 PolarHBondContact NH2-OD2 3.08Å; M368-D376 CarbonylContact O-C 3.56Å; M368-D376 VanDerWaalsContact O-CA 3.24Å; M368-D376 WeakPolarHBondContact O-CA 3.04Å; F369-D376 HydrophobicContact CD1-CB 3.37Å; F369-D376 HydrophobicContact CE1-CB 3.7Å; F369-D376 HydrophobicContact CG-CB 4.23Å
377	V	93	Very high	86.8	Confident	26 Å²	26	61.5 Å²	61.5	16%	0.158	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144	174.7	68.4	0	0	0	0	109.6	L2 R367 M368 L379 P394	L2-V377 HydrophobicContact CD1-CB 4.21Å; L2-V377 HydrophobicContact CD1-CG1 3.88Å; L2-V377 HydrophobicContact CD2-CG1 4.42Å; R367-V377 WeakPolarHBondContact CA-O 3.12Å; M368-V377 HydrophobicContact CB-CG1 3.94Å; M368-V377 HydrophobicContact CG-CG1 4.44Å; M368-V377 PolarHBondContact N-O 2.68Å; M368-V377 PolarHBondContact O-N 3.05Å; M368-V377 HydrophobicContact SD-CG1 4.41Å; V377-L379 HydrophobicContact CG1-CD1 4.36Å; V377-L379 HydrophobicContact CG1-CG 4.3Å; V377-L379 HydrophobicContact CG2-CD2 3.83Å; V377-L379 HydrophobicContact CG2-CG 4.04Å; V377-P394 HydrophobicContact CG2-CB 3.93Å; V377-P394 HydrophobicContact CG2-CG 3.92Å
378	T	93.4	Very high	85.4	Confident	8 Å²	8	64.5 Å²	64.5	5%	0.049	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.3	168.6	-53.3	0	0	0	0	108.2	F365 R367 P394 R395	F365-T378 HydrophobicContact CB-CG2 3.87Å; F365-T378 HydrophobicContact CD2-CG2 4.09Å; F365-T378 HydrophobicContact CG-CG2 3.91Å; R367-T378 HydrophobicContact CG-CG2 4.27Å; R367-T378 PolarHBondContact NE-OG1 2.91Å; R367-T378 PolarHBondContact NH1-OG1 3.32Å; R367-T378 PolarHBondContact NH2-OG1 3.11Å; T378-P394 CarbonylContact O-C 3.58Å; T378-P394 WeakPolarHBondContact O-CA 3.46Å; T378-R395 WeakPolarHBondContact CB-O 3.23Å; T378-R395 PolarHBondContact O-N 3.42Å
379	L	92.3	Very high	84.1	Confident	8 Å²	8	72.3 Å²	72.3	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	164.3	-179.8	-62.3	175.9	0	0	0	109.2	I5 F365 F366 M368 V377 L392	I5-L379 HydrophobicContact CB-CD1 4.37Å; I5-L379 HydrophobicContact CD1-CD1 3.79Å; I5-L379 HydrophobicContact CG1-CD1 4.45Å; F365-L379 VanDerWaalsContact CA-O 3.23Å; F365-L379 WeakPolarHBondContact CA-O 3.35Å; F366-L379 HydrophobicContact CD1-CB 4.13Å; F366-L379 HydrophobicContact CD2-CB 4.28Å; F366-L379 HydrophobicContact CE1-CB 3.54Å; F366-L379 HydrophobicContact CE2-CB 3.72Å; F366-L379 HydrophobicContact CE2-CD1 3.69Å; F366-L379 HydrophobicContact CE2-CG 4.25Å; F366-L379 HydrophobicContact CG-CB 4.48Å; F366-L379 HydrophobicContact CZ-CB 3.32Å; F366-L379 HydrophobicContact CZ-CD1 3.72Å; F366-L379 HydrophobicContact CZ-CG 4.15Å; F366-L379 PolarHBondContact N-O 3.33Å; F366-L379 PolarHBondContact O-N 3.16Å; M368-L379 HydrophobicContact SD-CD1 4.22Å; V377-L379 HydrophobicContact CG1-CD1 4.36Å; V377-L379 HydrophobicContact CG1-CG 4.3Å; V377-L379 HydrophobicContact CG2-CD2 3.83Å; V377-L379 HydrophobicContact CG2-CG 4.04Å; L379-L392 HydrophobicContact CB-CD1 4.3Å; L379-L392 HydrophobicContact CD1-CD1 4.23Å; L379-L392 HydrophobicContact CD2-CB 3.93Å
380	E	91.8	Very high	83	Confident	30 Å²	30	73.5 Å²	73.5	14%	0.14	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.7	-174.3	-179.9	-175.5	-162.1	0	0	110.1	N364 F365 R395	N364-E380 WeakPolarHBondContact O-CA 3.16Å; F365-E380 HydrophobicContact CD1-CB 3.8Å; F365-E380 HydrophobicContact CD1-CG 4.03Å; F365-E380 HydrophobicContact CE1-CB 3.84Å; F365-E380 HydrophobicContact CE1-CG 3.88Å; E380-R395 HydrophobicContact CB-CG 4.05Å; E380-R395 IonicContact OE2-CZ 3.73Å; E380-R395 IonicContact OE2-NE 2.67Å; E380-R395 PolarHBondContact OE2-NE 3.42Å; E380-R395 IonicContact OE2-NH2 2.84Å; E380-R395 PolarHBondContact OE2-NH2 2.99Å
381	A	89.6	Confident	82.1	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	37%	0.369	C	S	.	.			trans	-91.2	96.8	170.5	0	0	0	0	0	109.5	N364 I420 I434 Y441 F443	N364-A381 WeakPolarHBondContact CB-O 3.46Å; N364-A381 PolarHBondContact ND2-O 3.41Å; N364-A381 VanDerWaalsContact ND2-O 3.12Å; N364-A381 PolarHBondContact O-N 3.31Å; A381-I420 HydrophobicContact CB-CD1 3.98Å; A381-I434 HydrophobicContact CB-CG2 4.23Å; A381-Y441 HydrophobicContact CB-CD2 3.79Å; A381-Y441 HydrophobicContact CB-CE2 4.17Å; A381-Y441 HydrophobicContact CB-CG 4.07Å; A381-F443 HydrophobicContact CB-CE2 4.24Å; A381-F443 HydrophobicContact CB-CZ 4.1Å
382	S	83.9	Confident	81.5	Confident	24 Å²	24	76.2 Å²	76.2	17%	0.168	37%	0.369	C	S	.	.			trans	-144.1	134.5	178.2	167.9	0	0	0	0	111.3	E384 S385 S386	S382-E384 VanDerWaalsContact C-N 3.26Å; S382-E384 PolarHBondContact O-N 3.5Å; S382-E384 PolarHBondContact OG-N 3.08Å; S382-S385 WeakPolarHBondContact CB-OG 3.24Å; S382-S385 PolarHBondContact O-N 3.27Å; S382-S385 PolarHBondContact O-OG 3.04Å; S382-S385 VanDerWaalsContact O-OG 3.14Å; S382-S386 WeakPolarHBondContact O-CB 3.27Å; S382-S386 PolarHBondContact O-N 2.96Å; S382-S386 PolarHBondContact O-OG 3.2Å
383	R	72.1	Confident	81	Confident	181 Å²	181	78 Å²	78	68%	0.683	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-40.5	177.7	-172.4	175.7	-158.8	-160.2	-0.1	113.1	D11 S385	D11-R383 WeakPolarHBondContact OD2-CD 3.31Å; D11-R383 VanDerWaalsContact OD2-CG 3.23Å; D11-R383 WeakPolarHBondContact OD2-CG 3.29Å; D11-R383 IonicContact OD2-CZ 3.76Å; D11-R383 IonicContact OD2-NE 3.22Å; D11-R383 PolarHBondContact OD2-NE 3.1Å; R383-S385 VanDerWaalsContact C-N 3.33Å; R383-S385 PolarHBondContact O-N 3.18Å
384	E	69.5	Low	80.8	Confident	184 Å²	184	79.8 Å²	79.8	86%	0.86	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.2	-176.9	-64.6	179.8	-179.8	0	0	112.6	S382	S382-E384 VanDerWaalsContact C-N 3.26Å; S382-E384 PolarHBondContact O-N 3.5Å; S382-E384 PolarHBondContact OG-N 3.08Å
385	S	62.7	Low	80.7	Confident	45 Å²	45	78 Å²	78	32%	0.315	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-15.4	-179.3	60.4	0	0	0	0	113.7	S382 R383	S382-S385 WeakPolarHBondContact CB-OG 3.24Å; S382-S385 PolarHBondContact O-N 3.27Å; S382-S385 PolarHBondContact O-OG 3.04Å; S382-S385 VanDerWaalsContact O-OG 3.14Å; R383-S385 VanDerWaalsContact C-N 3.33Å; R383-S385 PolarHBondContact O-N 3.18Å
386	S	65.6	Low	80.5	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.366	C	S	.	.			trans	-109.9	59.6	-169.7	-52.7	0	0	0	0	112.6	S10 S382	S10-S386 WeakPolarHBondContact CB-O 3.34Å; S382-S386 WeakPolarHBondContact O-CB 3.27Å; S382-S386 PolarHBondContact O-N 2.96Å; S382-S386 PolarHBondContact O-OG 3.2Å
387	K	70.4	Confident	80.1	Confident	153 Å²	153	73.4 Å²	73.4	67%	0.665	35%	0.352	S	S	*	.			trans	-61.6	147.6	170.7	-66.3	-175.7	179.5	-176.4	0	110.3	R389 A390	K387-R389 PolarHBondContact O-N 2.65Å; K387-A390 HydrophobicContact CB-CB 4.16Å; K387-A390 WeakPolarHBondContact O-CB 3.5Å; K387-A390 PolarHBondContact O-N 3.1Å
388	P	67.1	Low	79.4	Confident	93 Å²	93	73.1 Å²	73.1	60%	0.604	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	132.3	176.8	-28.1	34.5	0	0	0	111.8	A390	P388-A390 PolarHBondContact O-N 3.06Å; P388-A390 VanDerWaalsContact O-N 3.13Å
389	R	68.7	Low	78.3	Confident	170 Å²	170	75.5 Å²	75.5	64%	0.642	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	5.5	-177	-53.1	177.6	179.8	175.1	-1.8	116	Q6 V7 K387	Q6-R389 PolarHBondContact NE2-O 3.07Å; V7-R389 VanDerWaalsContact O-CA 3.28Å; V7-R389 WeakPolarHBondContact O-CA 3.1Å; V7-R389 PolarHBondContact O-N 3.24Å; K387-R389 PolarHBondContact O-N 2.65Å
390	A	72.4	Confident	76.8	Confident	31 Å²	31	79.2 Å²	79.2	26%	0.256	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-68.5	141.5	173.5	0	0	0	0	0	110.4	Q6 V7 K387 P388	Q6-A390 WeakPolarHBondContact CA-O 3.18Å; V7-A390 PolarHBondContact N-O 2.75Å; V7-A390 VanDerWaalsContact N-O 3.14Å; K387-A390 HydrophobicContact CB-CB 4.16Å; K387-A390 WeakPolarHBondContact O-CB 3.5Å; K387-A390 PolarHBondContact O-N 3.1Å; P388-A390 PolarHBondContact O-N 3.06Å; P388-A390 VanDerWaalsContact O-N 3.13Å
391	V	76.5	Confident	75.3	Confident	67 Å²	67	82 Å²	82	41%	0.406	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-81	125.7	173	178.3	0	0	0	0	108.5	P4 I5 Q6 K393	P4-V391 HydrophobicContact CB-CG1 3.64Å; I5-V391 WeakPolarHBondContact O-CA 3.42Å; Q6-V391 HydrophobicContact CG-CG2 3.8Å; V391-K393 PolarHBondContact O-N 2.72Å
392	L	82.1	Confident	74	Confident	14 Å²	14	84.2 Å²	84.2	7%	0.073	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-66.2	134.8	177.4	-64.3	-179.9	0	0	0	110.5	I5 V7 F366 L379 F443	I5-L392 HydrophobicContact CG2-CD1 4.2Å; I5-L392 PolarHBondContact O-N 3.2Å; V7-L392 HydrophobicContact CG2-CD2 4.12Å; F366-L392 HydrophobicContact CE1-CD1 4.39Å; F366-L392 HydrophobicContact CZ-CD1 3.97Å; L379-L392 HydrophobicContact CB-CD1 4.3Å; L379-L392 HydrophobicContact CD1-CD1 4.23Å; L379-L392 HydrophobicContact CD2-CB 3.93Å; L392-F443 HydrophobicContact CD1-CD1 3.77Å; L392-F443 HydrophobicContact CD1-CD2 4.46Å; L392-F443 HydrophobicContact CD1-CE1 3.74Å; L392-F443 HydrophobicContact CD1-CE2 4.42Å; L392-F443 HydrophobicContact CD1-CG 4.16Å; L392-F443 HydrophobicContact CD1-CZ 4.07Å; L392-F443 HydrophobicContact CD2-CE1 4.17Å; L392-F443 HydrophobicContact CG-CD1 4.41Å; L392-F443 HydrophobicContact CG-CE1 4.35Å
393	K	84.1	Confident	72.8	Confident	170 Å²	170	92.9 Å²	92.9	74%	0.739	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-90.1	131.8	176.4	-68.4	-176.5	-179.1	178.3	0	109.8	V391 R395	V391-K393 PolarHBondContact O-N 2.72Å; K393-R395 PolarHBondContact O-N 3.22Å
394	P	87.1	Confident	72.2	Confident	97 Å²	97	92.4 Å²	92.4	63%	0.63	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-54.7	134	172.3	-27.5	35.8	0	0	0	112	V377 T378	V377-P394 HydrophobicContact CG2-CB 3.93Å; V377-P394 HydrophobicContact CG2-CG 3.92Å; T378-P394 CarbonylContact O-C 3.58Å; T378-P394 WeakPolarHBondContact O-CA 3.46Å
395	R	89	Confident	72.3	Confident	79 Å²	79	91.8 Å²	91.8	30%	0.298	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-99.3	149.1	172.1	-62.3	-56.2	-165.4	175.5	2.6	110	F365 T378 E380 K393	F365-R395 HydrophobicContact CE1-CB 4.2Å; F365-R395 HydrophobicContact CE1-CG 4Å; F365-R395 HydrophobicContact CZ-CB 4.32Å; F365-R395 HydrophobicContact CZ-CG 4.48Å; T378-R395 WeakPolarHBondContact CB-O 3.23Å; T378-R395 PolarHBondContact O-N 3.42Å; E380-R395 HydrophobicContact CB-CG 4.05Å; E380-R395 IonicContact OE2-CZ 3.73Å; E380-R395 IonicContact OE2-NE 2.67Å; E380-R395 PolarHBondContact OE2-NE 3.42Å; E380-R395 IonicContact OE2-NH2 2.84Å; E380-R395 PolarHBondContact OE2-NH2 2.99Å; K393-R395 PolarHBondContact O-N 3.22Å
396	R	85.9	Confident	72.5	Confident	139 Å²	139	99.3 Å²	99.3	53%	0.525	51%	0.513	S	S	.	.			trans	-128	126.5	174	-163.9	179.6	-149.4	-164.9	4	109.7	I409	R396-I409 PolarHBondContact O-N 3.12Å
397	V	85.3	Confident	73	Confident	22 Å²	22	105.2 Å²	105.2	13%	0.133	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.6	171.7	-174.4	0	0	0	0	108.3	Y328 F365 I409 V411 L414	Y328-V397 HydrophobicContact CD1-CB 3.93Å; Y328-V397 HydrophobicContact CD1-CG1 3.99Å; Y328-V397 HydrophobicContact CD2-CB 4.5Å; Y328-V397 HydrophobicContact CD2-CG1 3.75Å; Y328-V397 HydrophobicContact CE1-CB 3.81Å; Y328-V397 HydrophobicContact CE1-CG1 4.11Å; Y328-V397 HydrophobicContact CE1-CG2 4.01Å; Y328-V397 HydrophobicContact CE2-CB 4.42Å; Y328-V397 HydrophobicContact CE2-CG1 3.91Å; Y328-V397 HydrophobicContact CE2-CG2 4.47Å; Y328-V397 HydrophobicContact CG-CB 4.28Å; Y328-V397 HydrophobicContact CG-CG1 3.81Å; F365-V397 HydrophobicContact CD2-CG2 4.13Å; F365-V397 HydrophobicContact CE2-CG2 3.63Å; V397-I409 WeakPolarHBondContact CA-O 3.35Å; V397-V411 HydrophobicContact CG1-CG2 3.7Å; V397-L414 HydrophobicContact CG1-CD1 4.23Å; V397-L414 HydrophobicContact CG2-CD2 4.32Å
398	C	78.8	Confident	73.6	Confident	21 Å²	21	98.5 Å²	98.5	14%	0.142	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.4	178.4	-79.6	0	0	0	0	110.1	D408 I409 V411	C398-D408 HydrophobicContact CB-CB 4.32Å; C398-D408 PolarHBondContact SG-OD2 3.14Å; C398-I409 PolarHBondContact N-O 2.88Å; C398-V411 PolarHBondContact O-N 2.77Å
399	A	70.1	Confident	74.4	Confident	58 Å²	58	95.6 Å²	95.6	48%	0.479	50%	0.495	S	S	.	.			trans	-63.4	151.3	171.3	0	0	0	0	0	110.9	G401 G402	A399-G401 PolarHBondContact O-N 3.04Å; A399-G402 PolarHBondContact O-N 2.87Å
400	A	60.3	Low	75.3	Confident	85 Å²	85	88.6 Å²	88.6	70%	0.702	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	124	179.1	0	0	0	0	0	110.9
401	G	59.4	Low	76.1	Confident	90 Å²	90	87.4 Å²	87.4	93%	0.928	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	-1.3	178.5	0	0	0	0	0	116.6	A399	A399-G401 PolarHBondContact O-N 3.04Å
402	G	62.7	Low	76.6	Confident	46 Å²	46	89 Å²	89	47%	0.474	47%	0.467	S	S	.	.	S	Bend	trans	-77.4	157.4	174.9	0	0	0	0	0	114.6	A399 R404	A399-G402 PolarHBondContact O-N 2.87Å; G402-R404 PolarHBondContact O-N 2.69Å
403	K	58.3	Low	76.9	Confident	206 Å²	206	92 Å²	92	90%	0.896	49%	0.49	S	S	*	.			trans	-61.9	102.8	170	-84.4	-174	179	178.1	0	109.8
404	R	60.5	Low	77.2	Confident	170 Å²	170	84.5 Å²	84.5	64%	0.642	46%	0.458	S	S	*	.			trans	-75.8	123.9	-178.9	-165.8	174.7	-178	177	0.2	111.1	G402 D408	G402-R404 PolarHBondContact O-N 2.69Å; R404-D408 HydrophobicContact CG-CB 4.12Å; R404-D408 PolarHBondContact NE-O 3.31Å; R404-D408 PolarHBondContact NH2-O 3.43Å
405	R	71.2	Confident	77.4	Confident	171 Å²	171	82.3 Å²	82.3	65%	0.645	44%	0.441	S	S	*	.			trans	-81.8	160.9	163.2	-59.4	179.7	175.6	-177.4	-1.5	109.5	D407 D408	R405-D407 PolarHBondContact O-N 2.98Å; R405-D407 VanDerWaalsContact O-N 3.1Å; R405-D408 WeakPolarHBondContact CB-OD2 3.31Å; R405-D408 PolarHBondContact N-OD2 3.43Å; R405-D408 PolarHBondContact O-N 3.1Å; R405-D408 VanDerWaalsContact O-N 3.11Å
406	K	66.9	Low	77.6	Confident	204 Å²	204	81 Å²	81	89%	0.887	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.4	-175.3	-170	176.4	176	-177.7	0	113.5
407	D	76	Confident	77.8	Confident	124 Å²	124	79.6 Å²	79.6	66%	0.663	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	6.5	-176.1	-54.6	-37.7	0	0	0	113.8	R405	R405-D407 PolarHBondContact O-N 2.98Å; R405-D407 VanDerWaalsContact O-N 3.1Å
408	D	82.5	Confident	78.2	Confident	11 Å²	11	82.9 Å²	82.9	6%	0.059	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-79	137.5	179.7	-68.2	-14.5	0	0	0	111.4	C398 R404 R405	C398-D408 HydrophobicContact CB-CB 4.32Å; C398-D408 PolarHBondContact SG-OD2 3.14Å; R404-D408 HydrophobicContact CG-CB 4.12Å; R404-D408 PolarHBondContact NE-O 3.31Å; R404-D408 PolarHBondContact NH2-O 3.43Å; R405-D408 WeakPolarHBondContact CB-OD2 3.31Å; R405-D408 PolarHBondContact N-OD2 3.43Å; R405-D408 PolarHBondContact O-N 3.1Å; R405-D408 VanDerWaalsContact O-N 3.11Å
409	I	85.8	Confident	79	Confident	33 Å²	33	85.4 Å²	85.4	17%	0.169	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.3	-179	-59.9	170.8	0	0	0	108.7	F365 R396 V397 C398 L414	F365-I409 HydrophobicContact CE1-CD1 4.31Å; F365-I409 HydrophobicContact CE2-CD1 4.49Å; F365-I409 HydrophobicContact CZ-CD1 3.56Å; R396-I409 PolarHBondContact O-N 3.12Å; V397-I409 WeakPolarHBondContact CA-O 3.35Å; C398-I409 PolarHBondContact N-O 2.88Å; I409-L414 HydrophobicContact CG2-CD2 3.97Å
410	S	87.5	Confident	80.3	Confident	23 Å²	23	82.6 Å²	82.6	16%	0.161	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	144.4	176.5	-170.5	0	0	0	0	110.2	D412 S413	S410-D412 PolarHBondContact O-N 2.84Å; S410-S413 PolarHBondContact O-N 3.46Å
411	V	87.8	Confident	82	Confident	6 Å²	6	80 Å²	80	4%	0.036	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-55.5	-37.8	171.7	176.2	0	0	0	0	111.5	Y328 L329 K332 V397 C398 S413 L414	Y328-V411 HydrophobicContact CD2-CG2 3.95Å; Y328-V411 HydrophobicContact CG-CG2 4.2Å; L329-V411 HydrophobicContact CD2-CG1 4.12Å; K332-V411 HydrophobicContact CG-CG1 4.07Å; V397-V411 HydrophobicContact CG1-CG2 3.7Å; C398-V411 PolarHBondContact O-N 2.77Å; V411-S413 PolarHBondContact O-N 3.01Å; V411-L414 HydrophobicContact CG1-CD1 4.39Å; V411-L414 WeakPolarHBondContact O-CB 3.48Å; V411-L414 WeakPolarHBondContact O-CG 3.37Å; V411-L414 PolarHBondContact O-N 2.74Å
412	D	86.6	Confident	83.8	Confident	99 Å²	99	77.3 Å²	77.3	53%	0.529	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-70.9	-9.9	179.1	-56.7	-54.1	0	0	0	113.7	K332 S410	K332-D412 WeakPolarHBondContact CE-OD1 3.48Å; K332-D412 IonicContact NZ-OD1 2.79Å; K332-D412 PolarHBondContact NZ-OD1 2.96Å; S410-D412 PolarHBondContact O-N 2.84Å
413	S	89.1	Confident	85.5	Confident	78 Å²	78	75.4 Å²	75.4	55%	0.545	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-103.1	5	178.5	-54	0	0	0	0	112.7	S410 V411	S410-S413 PolarHBondContact O-N 3.46Å; V411-S413 PolarHBondContact O-N 3.01Å
414	L	91	Very high	87.3	Confident	13 Å²	13	66 Å²	66	7%	0.068	32%	0.32	C	S	.	.			trans	-74.1	134.6	177.8	-63.3	176.7	0	0	0	110.5	Y328 L329 N363 F365 V397 I409 V411 F416	Y328-L414 HydrophobicContact CD2-CD1 4.1Å; Y328-L414 HydrophobicContact CE2-CD1 3.56Å; L329-L414 HydrophobicContact CD2-CD1 4.03Å; N363-L414 HydrophobicContact CB-CB 4.5Å; N363-L414 HydrophobicContact CB-CD2 3.83Å; F365-L414 HydrophobicContact CE2-CD2 3.8Å; V397-L414 HydrophobicContact CG1-CD1 4.23Å; V397-L414 HydrophobicContact CG2-CD2 4.32Å; I409-L414 HydrophobicContact CG2-CD2 3.97Å; V411-L414 HydrophobicContact CG1-CD1 4.39Å; V411-L414 WeakPolarHBondContact O-CB 3.48Å; V411-L414 WeakPolarHBondContact O-CG 3.37Å; V411-L414 PolarHBondContact O-N 2.74Å; L414-F416 HydrophobicContact CB-CE1 4.44Å; L414-F416 HydrophobicContact CB-CZ 4.22Å
415	D	91.1	Very high	89	Confident	51 Å²	51	59.1 Å²	59.1	27%	0.273	29%	0.294	S	S	.	.			trans	-91.1	108.2	171.6	-172.8	-11.2	0	0	0	109.9	N363 T417 K418	N363-D415 WeakPolarHBondContact CA-O 3.21Å; N363-D415 PolarHBondContact N-O 2.66Å; N363-D415 VanDerWaalsContact N-O 3.1Å; N363-D415 PolarHBondContact OD1-N 2.88Å; D415-T417 VanDerWaalsContact C-N 3.28Å; D415-T417 PolarHBondContact O-N 3.03Å; D415-T417 WeakPolarHBondContact OD1-CB 3.41Å; D415-T417 PolarHBondContact OD1-N 3.42Å; D415-T417 PolarHBondContact OD1-OG1 3.33Å; D415-T417 PolarHBondContact OD2-OG1 3.39Å; D415-K418 HydrophobicContact CB-CB 4.33Å; D415-K418 HydrophobicContact CB-CD 4.14Å; D415-K418 HydrophobicContact CB-CG 4.35Å; D415-K418 PolarHBondContact O-N 3.24Å; D415-K418 WeakPolarHBondContact OD2-CD 3.37Å; D415-K418 WeakPolarHBondContact OD2-CE 3.36Å; D415-K418 WeakPolarHBondContact OD2-CG 3.37Å; D415-K418 IonicContact OD2-NZ 3.63Å
416	F	92.6	Very high	90.2	Very high	50 Å²	50	51.1 Å²	51.1	22%	0.219	26%	0.263	C	S	.	.	S	Bend	trans	-76.9	-14.1	-179.8	-62.2	-72	0	0	0	113.3	L329 L336 Y362 L414 K418	L329-F416 HydrophobicContact CD1-CE1 4.24Å; L329-F416 HydrophobicContact CD2-CE1 3.7Å; L329-F416 HydrophobicContact CD2-CZ 3.9Å; L336-F416 HydrophobicContact CD2-CD1 3.73Å; L336-F416 HydrophobicContact CD2-CE1 3.65Å; L336-F416 HydrophobicContact CD2-CE2 4.48Å; L336-F416 HydrophobicContact CD2-CG 4.22Å; L336-F416 HydrophobicContact CD2-CZ 4.05Å; Y362-F416 HydrophobicContact CD1-CB 4.13Å; Y362-F416 AromaticContact CD1-CD1 3.75Å; Y362-F416 HydrophobicContact CD1-CD1 3.75Å; Y362-F416 HydrophobicContact CD1-CG 4.45Å; Y362-F416 WeakPolarHBondContact CD1-O 3.42Å; Y362-F416 AromaticContact CD2-CD1 3.9Å; Y362-F416 HydrophobicContact CD2-CD1 3.9Å; Y362-F416 HydrophobicContact CD2-CE1 4.17Å; Y362-F416 HydrophobicContact CE1-CB 4.39Å; Y362-F416 HydrophobicContact CE1-CD1 4.13Å; Y362-F416 HydrophobicContact CE2-CD1 4.27Å; Y362-F416 AromaticContact CG-CD1 3.61Å; Y362-F416 HydrophobicContact CG-CD1 3.61Å; Y362-F416 HydrophobicContact CG-CE1 4.21Å; L414-F416 HydrophobicContact CB-CE1 4.44Å; L414-F416 HydrophobicContact CB-CZ 4.22Å; F416-K418 VanDerWaalsContact C-N 3.28Å
417	T	91.1	Very high	91.5	Very high	111 Å²	111	42.6 Å²	42.6	68%	0.681	23%	0.229	S	C	*	.	S	Bend	trans	-73.5	-27.4	173.8	71.9	0	0	0	0	111.5	D415 K419	D415-T417 VanDerWaalsContact C-N 3.28Å; D415-T417 PolarHBondContact O-N 3.03Å; D415-T417 WeakPolarHBondContact OD1-CB 3.41Å; D415-T417 PolarHBondContact OD1-N 3.42Å; D415-T417 PolarHBondContact OD1-OG1 3.33Å; D415-T417 PolarHBondContact OD2-OG1 3.39Å; T417-K419 PolarHBondContact O-N 3.36Å
418	K	93.1	Very high	92.1	Very high	91 Å²	91	42.5 Å²	42.5	40%	0.396	23%	0.228	S	C	.	.	S	Bend	trans	-86.7	89	176.3	-72.5	-178.7	-171.5	172.8	0	110.3	Y362 N363 N364 D415 F416	Y362-K418 CarbonylContact C-O 3.56Å; Y362-K418 VanDerWaalsContact C-O 3.29Å; Y362-K418 WeakPolarHBondContact CA-O 3.35Å; N363-K418 WeakPolarHBondContact CA-O 3.12Å; N363-K418 PolarHBondContact N-O 3.26Å; N364-K418 PolarHBondContact N-O 3.25Å; N364-K418 WeakPolarHBondContact OD1-CB 3.37Å; D415-K418 HydrophobicContact CB-CB 4.33Å; D415-K418 HydrophobicContact CB-CD 4.14Å; D415-K418 HydrophobicContact CB-CG 4.35Å; D415-K418 PolarHBondContact O-N 3.24Å; D415-K418 WeakPolarHBondContact OD2-CD 3.37Å; D415-K418 WeakPolarHBondContact OD2-CE 3.36Å; D415-K418 WeakPolarHBondContact OD2-CG 3.37Å; D415-K418 IonicContact OD2-NZ 3.63Å; F416-K418 VanDerWaalsContact C-N 3.28Å
419	K	95	Very high	92.5	Very high	73 Å²	73	45.2 Å²	45.2	32%	0.317	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-119.8	134.6	-177.7	56	-170.2	179.5	-175.7	0	111.3	D344 Y362 T417 L421	D344-K419 IonicContact OD1-NZ 2.74Å; D344-K419 PolarHBondContact OD1-NZ 3.36Å; D344-K419 IonicContact OD2-NZ 3.19Å; Y362-K419 HydrophobicContact CD1-CB 4.02Å; Y362-K419 HydrophobicContact CE1-CB 4.22Å; T417-K419 PolarHBondContact O-N 3.36Å; K419-L421 HydrophobicContact CB-CD2 4.27Å; K419-L421 HydrophobicContact CB-CG 4.42Å; K419-L421 HydrophobicContact CD-CD1 4.05Å; K419-L421 HydrophobicContact CD-CD2 4.08Å; K419-L421 HydrophobicContact CD-CG 4.13Å; K419-L421 HydrophobicContact CG-CD1 4.3Å; K419-L421 HydrophobicContact CG-CD2 4.23Å; K419-L421 HydrophobicContact CG-CG 4Å
420	I	97	Very high	92.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.			trans	-94.9	101.8	169.2	-70.2	170.2	0	0	0	106.9	F346 G360 A361 N364 F366 A381 T423 I434 A436	F346-I420 WeakPolarHBondContact CD1-O 3.49Å; F346-I420 WeakPolarHBondContact CE1-O 3.23Å; G360-I420 VanDerWaalsContact CA-O 3.32Å; G360-I420 WeakPolarHBondContact CA-O 3.45Å; A361-I420 PolarHBondContact O-N 2.9Å; A361-I420 VanDerWaalsContact O-N 3.14Å; N364-I420 HydrophobicContact CB-CD1 4.35Å; N364-I420 WeakPolarHBondContact O-CD1 3.4Å; F366-I420 HydrophobicContact CB-CD1 4.19Å; F366-I420 HydrophobicContact CD1-CD1 4.12Å; A381-I420 HydrophobicContact CB-CD1 3.98Å; I420-T423 HydrophobicContact CG2-CG2 3.36Å; I420-I434 HydrophobicContact CB-CG2 4.5Å; I420-I434 HydrophobicContact CD1-CG2 3.57Å; I420-I434 HydrophobicContact CG1-CG2 3.94Å; I420-I434 HydrophobicContact CG2-CG2 3.72Å; I420-A436 HydrophobicContact CG1-CB 4.42Å
421	L	97.6	Very high	92.9	Very high	31 Å²	31	46.2 Å²	46.2	16%	0.162	25%	0.245	C	C	.	.			trans	-94.2	-36.3	178.1	-60.7	-178.6	0	0	0	112.1	D344 F346 E347 K419	D344-L421 HydrophobicContact CB-CD2 4.08Å; F346-L421 HydrophobicContact CD1-CD2 3.89Å; F346-L421 HydrophobicContact CE1-CD2 3.79Å; F346-L421 HydrophobicContact CE2-CD2 4.43Å; F346-L421 HydrophobicContact CG-CD2 4.25Å; F346-L421 HydrophobicContact CZ-CD2 4.08Å; E347-L421 VanDerWaalsContact CB-O 3.32Å; E347-L421 WeakPolarHBondContact CB-O 3.35Å; E347-L421 WeakPolarHBondContact CG-O 3.49Å; E347-L421 PolarHBondContact N-O 3.31Å; K419-L421 HydrophobicContact CB-CD2 4.27Å; K419-L421 HydrophobicContact CB-CG 4.42Å; K419-L421 HydrophobicContact CD-CD1 4.05Å; K419-L421 HydrophobicContact CD-CD2 4.08Å; K419-L421 HydrophobicContact CD-CG 4.13Å; K419-L421 HydrophobicContact CG-CD1 4.3Å; K419-L421 HydrophobicContact CG-CD2 4.23Å; K419-L421 HydrophobicContact CG-CG 4Å
422	H	97.6	Very high	93.2	Very high	32 Å²	32	46.1 Å²	46.1	15%	0.148	24%	0.244	C	C	.	.			trans	-115	126.8	-172	-48	-66.8	0	0	0	110.8	I31 S32 V34 E347 A435	I31-H422 PolarHBondContact O-CD2 2.83Å; S32-H422 PolarHBondContact O-CE1 3.34Å; S32-H422 PolarHBondContact O-ND1 3.02Å; S32-H422 PolarHBondContact O-NE2 3.42Å; V34-H422 HydrophobicContact CG2-CB 4.2Å; E347-H422 VanDerWaalsContact CD-ND1 3.32Å; E347-H422 IonicContact OE1-CE1 3.29Å; E347-H422 IonicContact OE1-ND1 2.65Å; E347-H422 PolarHBondContact OE1-ND1 2.71Å; E347-H422 WeakPolarHBondContact OE2-CA 3.21Å; E347-H422 IonicContact OE2-ND1 3.8Å; H422-A435 HydrophobicContact CB-CB 4.2Å; H422-A435 PolarHBondContact O-N 3.34Å; H422-A435 VanDerWaalsContact O-N 3.14Å
423	T	96.9	Very high	93.6	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.043	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	142.4	179.9	67.4	0	0	0	0	110.1	M358 I420 A433 I434	M358-T423 HydrophobicContact CE-CG2 4.49Å; I420-T423 HydrophobicContact CG2-CG2 3.36Å; T423-A433 CarbonylContact C-O 3.55Å; T423-A433 WeakPolarHBondContact CA-O 3.39Å; T423-I434 HydrophobicContact CG2-CG1 4.23Å
424	A	97.1	Very high	93.9	Very high	8 Å²	8	37.7 Å²	37.7	7%	0.066	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.9	174.7	0	0	0	0	0	110.9	V34 F36 I432 A433	V34-A424 HydrophobicContact CB-CB 4.33Å; V34-A424 HydrophobicContact CG1-CB 3.88Å; F36-A424 HydrophobicContact CD2-CB 3.78Å; F36-A424 HydrophobicContact CE2-CB 4.03Å; A424-I432 WeakPolarHBondContact O-CA 3.49Å; A424-A433 HydrophobicContact CB-CB 4.44Å; A424-A433 PolarHBondContact N-O 3.16Å; A424-A433 PolarHBondContact O-N 3.46Å
425	W	96.6	Very high	94.1	Very high	25 Å²	25	37.2 Å²	37.2	10%	0.095	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.1	173.1	-155.8	-51.5	0	0	0	108.8	F36 A349 W350 N351 V356 M358 M368 E429 I432	F36-W425 VanDerWaalsContact CD2-C 3.49Å; F36-W425 WeakPolarHBondContact CD2-O 3.35Å; A349-W425 HydrophobicContact CB-CB 4.33Å; W350-W425 VanDerWaalsContact O-CB 3.3Å; W350-W425 WeakPolarHBondContact O-CB 3.1Å; N351-W425 HydrophobicContact CB-CD2 3.6Å; N351-W425 HydrophobicContact CB-CE3 3.88Å; N351-W425 HydrophobicContact CB-CG 4.25Å; N351-W425 HydrophobicContact CB-CH2 3.63Å; N351-W425 HydrophobicContact CB-CZ2 3.35Å; N351-W425 HydrophobicContact CB-CZ3 3.88Å; V356-W425 HydrophobicContact CB-CH2 3.85Å; V356-W425 HydrophobicContact CB-CZ3 4.27Å; V356-W425 HydrophobicContact CG1-CH2 3.62Å; V356-W425 HydrophobicContact CG1-CZ3 3.91Å; M358-W425 HydrophobicContact CB-CE3 3.76Å; M358-W425 HydrophobicContact CB-CZ3 3.75Å; M358-W425 HydrophobicContact CE-CE3 4.27Å; M358-W425 HydrophobicContact SD-CE3 4.49Å; M368-W425 HydrophobicContact CE-CH2 3.15Å; M368-W425 HydrophobicContact CE-CZ2 3.99Å; M368-W425 HydrophobicContact CE-CZ3 3.59Å; W425-E429 PolarHBondContact NE1-O 3.48Å; W425-E429 VanDerWaalsContact NE1-O 3.17Å; W425-I432 HydrophobicContact CB-CG2 4.49Å; W425-I432 HydrophobicContact CD2-CG2 3.55Å; W425-I432 HydrophobicContact CE3-CG2 3.94Å; W425-I432 HydrophobicContact CG-CG2 3.84Å; W425-I432 HydrophobicContact CZ2-CG2 4.23Å; W425-I432 HydrophobicContact CZ3-CG2 4.45Å
426	H	95.9	Very high	94.1	Very high	3 Å²	3	35 Å²	35	1%	0.014	18%	0.179	C	C	.	.			trans	-58.3	135.5	173.5	-172.7	-80.6	0	0	0	111.4	F36 G40 Y71 N428 E429 I431	F36-H426 HydrophobicContact CE1-CB 4.49Å; F36-H426 HydrophobicContact CE2-CB 4.3Å; F36-H426 HydrophobicContact CZ-CB 4.3Å; G40-H426 VanDerWaalsContact CA-NE2 3.29Å; G40-H426 WeakPolarHBondContact CA-NE2 3.48Å; G40-H426 PolarHBondContact O-CD2 3.45Å; G40-H426 PolarHBondContact O-NE2 2.82Å; Y71-H426 PolarHBondContact OH-CD2 2.98Å; Y71-H426 VanDerWaalsContact OH-CD2 3.29Å; H426-N428 PolarHBondContact ND1-N 3.5Å; H426-N428 PolarHBondContact O-N 3.05Å; H426-N428 VanDerWaalsContact O-N 3.13Å; H426-E429 HydrophobicContact CB-CB 4.49Å; H426-E429 IonicContact CE1-OE1 2.8Å; H426-E429 WeakPolarHBondContact ND1-CB 3.21Å; H426-E429 PolarHBondContact ND1-N 2.6Å; H426-I431 HydrophobicContact CB-CB 3.79Å; H426-I431 VanDerWaalsContact CB-O 3.26Å; H426-I431 WeakPolarHBondContact CB-O 3.36Å; H426-I431 PolarHBondContact N-O 2.8Å
427	P	92.9	Very high	93.9	Very high	25 Å²	25	34.5 Å²	34.5	16%	0.162	18%	0.18	C	C	.	.	S	Bend	trans	-61.6	-29.5	-171.6	22.6	-34.7	0	0	0	113.7	H38 G352	H38-P427 WeakPolarHBondContact O-CG 3.44Å; G352-P427 WeakPolarHBondContact CA-O 3.4Å
428	N	89.9	Confident	93.6	Very high	122 Å²	122	30.3 Å²	30.3	65%	0.652	15%	0.154	S	C	*	.	S	Bend	trans	-124.3	-8.4	-172	-58.9	-52.9	0	0	0	115.2	H426	H426-N428 PolarHBondContact ND1-N 3.5Å; H426-N428 PolarHBondContact O-N 3.05Å; H426-N428 VanDerWaalsContact O-N 3.13Å
429	E	90.3	Very high	93.5	Very high	68 Å²	68	27.6 Å²	27.6	32%	0.318	14%	0.144	S	C	.	.	S	Bend	trans	-133.9	162.2	-169.5	-66.1	-177.7	-142.8	0	0	110.5	R57 W425 H426 I431	R57-E429 IonicContact CZ-OE1 3.88Å; R57-E429 IonicContact CZ-OE2 3.56Å; R57-E429 IonicContact NH1-OE1 3.81Å; R57-E429 PolarHBondContact NH1-OE1 3.44Å; R57-E429 IonicContact NH1-OE2 2.91Å; R57-E429 PolarHBondContact NH1-OE2 2.91Å; R57-E429 IonicContact NH2-OE1 2.67Å; R57-E429 IonicContact NH2-OE2 3.64Å; R57-E429 PolarHBondContact NH2-OE2 3.21Å; W425-E429 PolarHBondContact NE1-O 3.48Å; W425-E429 VanDerWaalsContact NE1-O 3.17Å; H426-E429 HydrophobicContact CB-CB 4.49Å; H426-E429 IonicContact CE1-OE1 2.8Å; H426-E429 WeakPolarHBondContact ND1-CB 3.21Å; H426-E429 PolarHBondContact ND1-N 2.6Å; E429-I431 HydrophobicContact CB-CD1 4.22Å; E429-I431 HydrophobicContact CB-CG1 4.2Å; E429-I431 PolarHBondContact O-N 2.99Å; E429-I431 WeakPolarHBondContact OE2-CD1 3.4Å
430	N	89.7	Confident	93.3	Very high	76 Å²	76	24.1 Å²	24.1	41%	0.406	13%	0.129	S	C	.	.	S	Bend	trans	-82.2	55.3	174.9	-66.1	-28.8	0	0	0	110.6	Q444 D445	N430-Q444 CarbonylContact O-C 3.56Å; N430-Q444 VanDerWaalsContact O-CA 3.26Å; N430-Q444 WeakPolarHBondContact O-CA 3.38Å; N430-D445 HydrophobicContact CB-CB 3.67Å; N430-D445 PolarHBondContact O-N 3.11Å
431	I	92.2	Very high	93.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131	172.9	-59.5	170.4	0	0	0	107.2	F36 Y71 H426 E429 I442 F443 Q444	F36-I431 HydrophobicContact CZ-CG2 4.22Å; Y71-I431 HydrophobicContact CE2-CG2 4.32Å; H426-I431 HydrophobicContact CB-CB 3.79Å; H426-I431 VanDerWaalsContact CB-O 3.26Å; H426-I431 WeakPolarHBondContact CB-O 3.36Å; H426-I431 PolarHBondContact N-O 2.8Å; E429-I431 HydrophobicContact CB-CD1 4.22Å; E429-I431 HydrophobicContact CB-CG1 4.2Å; E429-I431 PolarHBondContact O-N 2.99Å; E429-I431 WeakPolarHBondContact OE2-CD1 3.4Å; I431-I442 HydrophobicContact CG2-CG2 3.75Å; I431-F443 CarbonylContact C-O 3.59Å; I431-F443 WeakPolarHBondContact CA-O 3.3Å; I431-Q444 HydrophobicContact CG1-CB 4.09Å
432	I	94.4	Very high	92.7	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.8	178.9	60.5	176.2	0	0	0	110	I5 M358 F366 A424 W425 I434 I442 F443	I5-I432 HydrophobicContact CD1-CD1 4.14Å; M358-I432 HydrophobicContact CE-CB 4.17Å; M358-I432 HydrophobicContact CE-CG2 4.08Å; M358-I432 HydrophobicContact SD-CB 4.03Å; M358-I432 HydrophobicContact SD-CD1 3.92Å; M358-I432 HydrophobicContact SD-CG2 3.95Å; F366-I432 HydrophobicContact CD2-CD1 4.49Å; F366-I432 HydrophobicContact CE2-CD1 3.7Å; F366-I432 HydrophobicContact CZ-CD1 4.18Å; A424-I432 WeakPolarHBondContact O-CA 3.49Å; W425-I432 HydrophobicContact CB-CG2 4.49Å; W425-I432 HydrophobicContact CD2-CG2 3.55Å; W425-I432 HydrophobicContact CE3-CG2 3.94Å; W425-I432 HydrophobicContact CG-CG2 3.84Å; W425-I432 HydrophobicContact CZ2-CG2 4.23Å; W425-I432 HydrophobicContact CZ3-CG2 4.45Å; I432-I434 HydrophobicContact CD1-CD1 4.05Å; I432-I442 WeakPolarHBondContact O-CA 3.46Å; I432-F443 HydrophobicContact CD1-CB 4.05Å; I432-F443 HydrophobicContact CD1-CD2 4.03Å; I432-F443 HydrophobicContact CG1-CB 3.7Å; I432-F443 HydrophobicContact CG1-CD2 4.09Å; I432-F443 HydrophobicContact CG1-CG 4.41Å; I432-F443 PolarHBondContact N-O 2.95Å; I432-F443 PolarHBondContact O-N 3.36Å
433	A	95.2	Very high	92.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.6	176	0	0	0	0	0	109.2	V34 F36 L43 T423 A424 L440 Y441	V34-A433 HydrophobicContact CG1-CB 3.83Å; F36-A433 HydrophobicContact CE2-CB 3.82Å; F36-A433 HydrophobicContact CZ-CB 3.94Å; L43-A433 HydrophobicContact CD1-CB 4.04Å; L43-A433 HydrophobicContact CD2-CB 3.77Å; T423-A433 CarbonylContact C-O 3.55Å; T423-A433 WeakPolarHBondContact CA-O 3.39Å; A424-A433 HydrophobicContact CB-CB 4.44Å; A424-A433 PolarHBondContact N-O 3.16Å; A424-A433 PolarHBondContact O-N 3.46Å; A433-L440 HydrophobicContact CB-CD1 4.27Å; A433-Y441 CarbonylContact C-O 3.53Å; A433-Y441 WeakPolarHBondContact CA-O 3.38Å
434	I	95.2	Very high	91.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.6	-172.9	-65.1	-171.5	0	0	0	109.2	M358 F366 A381 I420 T423 I432 Y441 F443	M358-I434 HydrophobicContact SD-CD1 4.21Å; M358-I434 HydrophobicContact SD-CG1 4.5Å; F366-I434 HydrophobicContact CB-CD1 3.99Å; F366-I434 HydrophobicContact CD1-CD1 3.42Å; F366-I434 VanDerWaalsContact CD1-CD1 3.42Å; F366-I434 HydrophobicContact CD2-CD1 3.48Å; F366-I434 VanDerWaalsContact CD2-CD1 3.48Å; F366-I434 HydrophobicContact CE1-CD1 3.57Å; F366-I434 HydrophobicContact CE2-CD1 3.63Å; F366-I434 HydrophobicContact CG-CD1 3.36Å; F366-I434 HydrophobicContact CZ-CD1 3.66Å; A381-I434 HydrophobicContact CB-CG2 4.23Å; I420-I434 HydrophobicContact CB-CG2 4.5Å; I420-I434 HydrophobicContact CD1-CG2 3.57Å; I420-I434 HydrophobicContact CG1-CG2 3.94Å; I420-I434 HydrophobicContact CG2-CG2 3.72Å; T423-I434 HydrophobicContact CG2-CG1 4.23Å; I432-I434 HydrophobicContact CD1-CD1 4.05Å; I434-Y441 PolarHBondContact N-O 2.95Å; I434-Y441 PolarHBondContact O-N 3.49Å; I434-F443 HydrophobicContact CB-CE2 4.38Å; I434-F443 HydrophobicContact CD1-CD2 4.01Å; I434-F443 HydrophobicContact CD1-CE2 3.94Å; I434-F443 HydrophobicContact CG1-CD2 4.43Å; I434-F443 HydrophobicContact CG1-CE2 4.43Å
435	A	94.5	Very high	90.9	Very high	4 Å²	4	23 Å²	23	3%	0.033	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.8	172.8	0	0	0	0	0	110.5	I31 V34 H422	I31-A435 HydrophobicContact CB-CB 3.93Å; I31-A435 HydrophobicContact CD1-CB 4.39Å; I31-A435 HydrophobicContact CG2-CB 3.65Å; V34-A435 HydrophobicContact CG2-CB 3.82Å; H422-A435 HydrophobicContact CB-CB 4.2Å; H422-A435 PolarHBondContact O-N 3.34Å; H422-A435 VanDerWaalsContact O-N 3.14Å
436	A	92.1	Very high	89.4	Confident	3 Å²	3	26.1 Å²	26.1	3%	0.025	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	102.9	167.8	0	0	0	0	0	108.7	I420 N438 N439 Y441	I420-A436 HydrophobicContact CG1-CB 4.42Å; A436-N438 PolarHBondContact O-N 3.1Å; A436-N438 VanDerWaalsContact O-N 3.12Å; A436-N439 PolarHBondContact N-O 3.11Å; A436-N439 PolarHBondContact O-N 3.14Å; A436-Y441 HydrophobicContact CB-CD2 4.21Å; A436-Y441 HydrophobicContact CB-CE2 3.91Å
437	T	88.5	Confident	87.5	Confident	40 Å²	40	31.8 Å²	31.8	25%	0.245	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-109.3	-172.5	-51.3	0	0	0	0	111.1	Y25 I30 I31	Y25-T437 HydrophobicContact CD2-CG2 4.09Å; Y25-T437 HydrophobicContact CE2-CG2 3.47Å; Y25-T437 VanDerWaalsContact CE2-CG2 3.47Å; I30-T437 HydrophobicContact CD1-CG2 4.34Å; I30-T437 HydrophobicContact CG1-CG2 3.97Å; I31-T437 PolarHBondContact N-O 2.63Å
438	N	85	Confident	85.2	Confident	24 Å²	24	36.5 Å²	36.5	13%	0.128	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-0.3	-178.9	68	-46.2	0	0	0	112.8	T14 Y25 D29 A436	T14-N438 PolarHBondContact OG1-O 2.89Å; Y25-N438 VanDerWaalsContact CB-ND2 3.28Å; Y25-N438 WeakPolarHBondContact CB-ND2 3.35Å; Y25-N438 HydrophobicContact CD2-CB 4.38Å; Y25-N438 HydrophobicContact CG-CB 4.35Å; D29-N438 HydrophobicContact CB-CB 4.17Å; D29-N438 WeakPolarHBondContact O-CA 3.23Å; D29-N438 VanDerWaalsContact O-CB 3.25Å; D29-N438 WeakPolarHBondContact O-CB 3.21Å; A436-N438 PolarHBondContact O-N 3.1Å; A436-N438 VanDerWaalsContact O-N 3.12Å
439	N	89.2	Confident	83	Confident	34 Å²	34	35.6 Å²	35.6	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.1	-179.3	-62.8	-39.7	0	0	0	110.3	A436 Y441	A436-N439 PolarHBondContact N-O 3.11Å; A436-N439 PolarHBondContact O-N 3.14Å; N439-Y441 HydrophobicContact CB-CD2 4.4Å; N439-Y441 HydrophobicContact CB-CE2 3.67Å
440	L	91.9	Very high	80.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.5	168.2	-175	66.8	0	0	0	109.5	I12 I31 V34 L43 T45 F55 A433 I442	I12-L440 HydrophobicContact CD1-CD2 4.49Å; I12-L440 PolarHBondContact N-O 3.05Å; I31-L440 HydrophobicContact CD1-CB 3.95Å; V34-L440 HydrophobicContact CG1-CD1 4.16Å; V34-L440 HydrophobicContact CG2-CD1 4.21Å; L43-L440 HydrophobicContact CD2-CD2 3.93Å; T45-L440 HydrophobicContact CG2-CD1 4.05Å; T45-L440 HydrophobicContact CG2-CD2 3.77Å; T45-L440 HydrophobicContact CG2-CG 4.46Å; F55-L440 HydrophobicContact CD2-CD2 4.06Å; F55-L440 HydrophobicContact CE2-CD2 3.65Å; F55-L440 HydrophobicContact CZ-CD2 4.19Å; A433-L440 HydrophobicContact CB-CD1 4.27Å; L440-I442 HydrophobicContact CG-CG1 4.44Å
441	Y	91.6	Very high	77.7	Confident	5 Å²	5	45.4 Å²	45.4	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.3	173.6	-66.9	-84	0	0	0	110	D11 A381 A433 I434 A436 N439 F443	D11-Y441 WeakPolarHBondContact OD1-CE1 3.38Å; D11-Y441 PolarHBondContact OD1-OH 3.19Å; A381-Y441 HydrophobicContact CB-CD2 3.79Å; A381-Y441 HydrophobicContact CB-CE2 4.17Å; A381-Y441 HydrophobicContact CB-CG 4.07Å; A433-Y441 CarbonylContact C-O 3.53Å; A433-Y441 WeakPolarHBondContact CA-O 3.38Å; I434-Y441 PolarHBondContact N-O 2.95Å; I434-Y441 PolarHBondContact O-N 3.49Å; A436-Y441 HydrophobicContact CB-CD2 4.21Å; A436-Y441 HydrophobicContact CB-CE2 3.91Å; N439-Y441 HydrophobicContact CB-CD2 4.4Å; N439-Y441 HydrophobicContact CB-CE2 3.67Å; Y441-F443 HydrophobicContact CD1-CE1 4.48Å; Y441-F443 HydrophobicContact CD1-CZ 4.04Å; Y441-F443 HydrophobicContact CG-CE2 4.37Å; Y441-F443 AromaticContact CG-CZ 3.98Å; Y441-F443 HydrophobicContact CG-CZ 3.98Å
442	I	91.1	Very high	75	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.3	173.8	-56.2	179.2	0	0	0	108.2	L8 C9 I12 L43 Y71 I431 I432 L440	L8-I442 HydrophobicContact CB-CG2 4.35Å; L8-I442 HydrophobicContact CD2-CB 4.4Å; L8-I442 HydrophobicContact CD2-CG2 3.84Å; L8-I442 PolarHBondContact N-O 2.98Å; C9-I442 PolarHBondContact N-O 2.67Å; C9-I442 VanDerWaalsContact N-O 3.16Å; C9-I442 PolarHBondContact O-N 3.28Å; C9-I442 VanDerWaalsContact O-N 3.14Å; I12-I442 HydrophobicContact CD1-CD1 3.61Å; I12-I442 HydrophobicContact CD1-CG1 4.41Å; L43-I442 HydrophobicContact CD2-CD1 3.89Å; L43-I442 HydrophobicContact CD2-CG1 4.38Å; Y71-I442 HydrophobicContact CD2-CD1 3.91Å; Y71-I442 HydrophobicContact CD2-CG2 4.39Å; Y71-I442 HydrophobicContact CG-CD1 3.9Å; I431-I442 HydrophobicContact CG2-CG2 3.75Å; I432-I442 WeakPolarHBondContact O-CA 3.46Å; L440-I442 HydrophobicContact CG-CG1 4.44Å
443	F	89	Confident	74	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	149.4	176.3	-49.3	-72.7	0	0	0	110.3	I5 Q6 V7 F366 A381 L392 I431 I432 I434 Y441	I5-F443 HydrophobicContact CG2-CB 3.34Å; I5-F443 HydrophobicContact CG2-CG 4.11Å; Q6-F443 CarbonylContact O-C 3.57Å; Q6-F443 WeakPolarHBondContact O-CA 3.17Å; V7-F443 HydrophobicContact CB-CD1 4.31Å; V7-F443 HydrophobicContact CG1-CD1 4.42Å; V7-F443 HydrophobicContact CG1-CE1 4.37Å; V7-F443 HydrophobicContact CG2-CD1 3.98Å; V7-F443 HydrophobicContact CG2-CE1 3.9Å; F366-F443 HydrophobicContact CE1-CD2 4.35Å; F366-F443 AromaticContact CE1-CE2 3.84Å; F366-F443 HydrophobicContact CE1-CE2 3.84Å; F366-F443 HydrophobicContact CE1-CZ 4.47Å; F366-F443 AromaticContact CZ-CD2 3.99Å; F366-F443 HydrophobicContact CZ-CD2 3.99Å; F366-F443 AromaticContact CZ-CE2 3.95Å; F366-F443 HydrophobicContact CZ-CE2 3.95Å; A381-F443 HydrophobicContact CB-CE2 4.24Å; A381-F443 HydrophobicContact CB-CZ 4.1Å; L392-F443 HydrophobicContact CD1-CD1 3.77Å; L392-F443 HydrophobicContact CD1-CD2 4.46Å; L392-F443 HydrophobicContact CD1-CE1 3.74Å; L392-F443 HydrophobicContact CD1-CE2 4.42Å; L392-F443 HydrophobicContact CD1-CG 4.16Å; L392-F443 HydrophobicContact CD1-CZ 4.07Å; L392-F443 HydrophobicContact CD2-CE1 4.17Å; L392-F443 HydrophobicContact CG-CD1 4.41Å; L392-F443 HydrophobicContact CG-CE1 4.35Å; I431-F443 CarbonylContact C-O 3.59Å; I431-F443 WeakPolarHBondContact CA-O 3.3Å; I432-F443 HydrophobicContact CD1-CB 4.05Å; I432-F443 HydrophobicContact CD1-CD2 4.03Å; I432-F443 HydrophobicContact CG1-CB 3.7Å; I432-F443 HydrophobicContact CG1-CD2 4.09Å; I432-F443 HydrophobicContact CG1-CG 4.41Å; I432-F443 PolarHBondContact N-O 2.95Å; I432-F443 PolarHBondContact O-N 3.36Å; I434-F443 HydrophobicContact CB-CE2 4.38Å; I434-F443 HydrophobicContact CD1-CD2 4.01Å; I434-F443 HydrophobicContact CD1-CE2 3.94Å; I434-F443 HydrophobicContact CG1-CD2 4.43Å; I434-F443 HydrophobicContact CG1-CE2 4.43Å; Y441-F443 HydrophobicContact CD1-CE1 4.48Å; Y441-F443 HydrophobicContact CD1-CZ 4.04Å; Y441-F443 HydrophobicContact CG-CE2 4.37Å; Y441-F443 AromaticContact CG-CZ 3.98Å; Y441-F443 HydrophobicContact CG-CZ 3.98Å
444	Q	84.6	Confident	72.9	Confident	20 Å²	20	63.9 Å²	63.9	9%	0.093	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.9	176.6	71.8	174.8	4.1	0	0	111	I5 Q6 L8 Q68 N430 I431	I5-Q444 CarbonylContact C-O 3.57Å; I5-Q444 WeakPolarHBondContact CA-O 3.45Å; Q6-Q444 WeakPolarHBondContact CA-O 3.44Å; Q6-Q444 PolarHBondContact N-O 3.27Å; Q6-Q444 PolarHBondContact O-N 3.21Å; Q6-Q444 VanDerWaalsContact O-O 3.06Å; L8-Q444 HydrophobicContact CB-CB 4.39Å; L8-Q444 HydrophobicContact CB-CG 3.98Å; L8-Q444 HydrophobicContact CD1-CG 4.13Å; Q68-Q444 VanDerWaalsContact OE1-NE2 3.14Å; N430-Q444 CarbonylContact O-C 3.56Å; N430-Q444 VanDerWaalsContact O-CA 3.26Å; N430-Q444 WeakPolarHBondContact O-CA 3.38Å; I431-Q444 HydrophobicContact CG1-CB 4.09Å
445	D	79.1	Confident	71.6	Confident	28 Å²	28	67.5 Å²	67.5	15%	0.15	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	149.9	172.8	-166.8	18.2	0	0	0	113.1	S3 N430 L447	S3-D445 VanDerWaalsContact CB-CG 3.42Å; S3-D445 WeakPolarHBondContact CB-OD1 3.2Å; S3-D445 WeakPolarHBondContact CB-OD2 3.4Å; S3-D445 PolarHBondContact OG-OD1 3.19Å; S3-D445 PolarHBondContact OG-OD2 3.23Å; N430-D445 HydrophobicContact CB-CB 3.67Å; N430-D445 PolarHBondContact O-N 3.11Å; D445-L447 PolarHBondContact O-N 3.2Å
446	K	64.6	Low	70.3	Confident	91 Å²	91	71.2 Å²	71.2	40%	0.396	36%	0.363	S	S	.	.			trans	-76	108.8	169.1	-172.1	178.5	-177.7	-171.6	0	109.3	P4 Q6 N448	P4-K446 WeakPolarHBondContact O-CB 3.45Å; P4-K446 PolarHBondContact O-N 3.22Å; Q6-K446 HydrophobicContact CG-CB 3.97Å; Q6-K446 HydrophobicContact CG-CG 4.42Å; K446-N448 PolarHBondContact O-N 3.28Å; K446-N448 VanDerWaalsContact O-N 3.09Å
447	L	57.5	Low	68.9	Low	123 Å²	123	75.5 Å²	75.5	64%	0.644	39%	0.385	S	S	*	.			trans	-61.3	114.4	166.4	-77.6	167.2	0	0	0	109.3	Q68 D445 S449	Q68-L447 HydrophobicContact CG-CD1 4.35Å; D445-L447 PolarHBondContact O-N 3.2Å; L447-S449 PolarHBondContact O-N 2.98Å
448	N	43.4	Very low	67.6	Low	124 Å²	124	77.9 Å²	77.9	66%	0.663	39%	0.394	S	S	*	.			trans	-70.6	119	171.1	-87.7	-13.9	0	0	0	108.8	K446 E450	K446-N448 PolarHBondContact O-N 3.28Å; K446-N448 VanDerWaalsContact O-N 3.09Å; N448-E450 PolarHBondContact O-N 2.97Å
449	S	43	Very low	66.4	Low	103 Å²	103	81.7 Å²	81.7	72%	0.72	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	21.8	178.7	47.6	0	0	0	0	115.2	L447	L447-S449 PolarHBondContact O-N 2.98Å
450	E	36.4	Very low	64.6	Low	176 Å²	176	85.4 Å²	85.4	82%	0.822	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	14.1	-173.7	-71.4	-167.5	166.2	0	0	114.9	N448	N448-E450 PolarHBondContact O-N 2.97Å
451	M	34.3	Very low	62.4	Low	173 Å²	173	92.5 Å²	92.5	85%	0.852	47%	0.466	S	S	*	.			trans	-121.9	62.3	171.3	-76.2	-164.3	-56.6	0	0	112.7
452	H	33.7	Very low	59.7	Low	267 Å²	267	100.5 Å²	100.5	100%	1.236	51%	0.507	S	S	*	.			trans	-132.9	0	154.5	-88.6	-48.6	0	0	0	110.9

Retrieved 452 of 452 residues in 159.9 ms (Link to these results)

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