A0A087XAN3_POEFO Loading...

Semaphorin-6A

Cell surface receptor for PLXNA2 that plays an important role in cell-cell signaling. Required for normal granule cell migration in the developing cerebellum. Promotes reorganization of the actin cytoskeleton and plays an important role in axon guidance in the developing central nervous system. Can act as repulsive axon guidance cue. Has repulsive action towards migrating granular neurons. May play a role in channeling sympathetic axons into the sympathetic chains and controlling the temporal sequence of sympathetic target innervation.

AlphaFold DB , UniProt , Accession A0A087XAN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 575 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.3	Very low	51.8	Low	213 Å²	213	128.8 Å²	128.8	100%	1.049	64%	0.643	S	S	*	*				0	-30.1	0	-78.4	173.2	54.3	0	0	115.7
2	R	52.5	Low	51.1	Low	230 Å²	230	126.3 Å²	126.3	87%	0.868	63%	0.632	S	S	*	*	H	α-helix	trans	-84.2	-23.3	178.5	-81.9	-176.4	173.4	178.4	-2.2	115.9
3	S	53.1	Low	50.5	Low	94 Å²	94	124.5 Å²	124.5	66%	0.657	63%	0.626	S	S	*	*	H	α-helix	trans	-80.7	-35.3	-177.5	-152.3	0	0	0	0	113.2	L6 V7	S3-L6 PolarHBondContact O-N 3.42Å; S3-V7 WeakPolarHBondContact O-CG2 3.22Å; S3-V7 PolarHBondContact O-N 3.4Å; S3-V7 VanDerWaalsContact O-N 3.16Å
4	E	53.3	Low	49.9	Very low	151 Å²	151	127.1 Å²	127.1	71%	0.706	63%	0.634	S	S	*	*	H	α-helix	trans	-72.4	-33.3	-179.9	-67	-177.9	163.6	0	0	112.2	V7 L8	E4-V7 PolarHBondContact O-N 2.88Å; E4-L8 WeakPolarHBondContact O-CB 3.4Å; E4-L8 PolarHBondContact O-N 3.16Å
5	A	53.7	Low	49.4	Very low	62 Å²	62	126.9 Å²	126.9	51%	0.512	64%	0.635	S	S	.	*	H	α-helix	trans	-67.2	-34.8	174.2	0	0	0	0	0	112.5	Y9	A5-Y9 WeakPolarHBondContact O-CB 3.32Å; A5-Y9 PolarHBondContact O-N 3.41Å
6	L	52.8	Low	48.8	Very low	107 Å²	107	124.3 Å²	124.3	56%	0.56	64%	0.639	S	S	*	*	H	α-helix	trans	-69	-43.3	174.9	-118.4	98.3	0	0	0	111.3	S3 L8 Y9 F10	S3-L6 PolarHBondContact O-N 3.42Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-Y9 PolarHBondContact O-N 2.9Å; L6-F10 HydrophobicContact CD2-CE2 4.15Å; L6-F10 VanDerWaalsContact O-CD2 3.32Å; L6-F10 WeakPolarHBondContact O-CD2 3.43Å; L6-F10 PolarHBondContact O-N 3.26Å
7	V	57.2	Low	48.6	Very low	89 Å²	89	120.6 Å²	120.6	54%	0.539	64%	0.639	S	S	.	*	H	α-helix	trans	-64	-42.1	176.3	175.3	0	0	0	0	110.2	S3 E4 Y9 F10 T11	S3-V7 WeakPolarHBondContact O-CG2 3.22Å; S3-V7 PolarHBondContact O-N 3.4Å; S3-V7 VanDerWaalsContact O-N 3.16Å; E4-V7 PolarHBondContact O-N 2.88Å; V7-Y9 VanDerWaalsContact C-N 3.31Å; V7-Y9 PolarHBondContact O-N 2.87Å; V7-F10 PolarHBondContact O-N 2.83Å; V7-T11 HydrophobicContact CG1-CG2 4.45Å; V7-T11 WeakPolarHBondContact O-CG2 3.34Å; V7-T11 PolarHBondContact O-N 3.29Å; V7-T11 PolarHBondContact O-OG1 2.93Å
8	L	52.4	Low	48.8	Very low	108 Å²	108	119.1 Å²	119.1	57%	0.565	65%	0.646	S	S	*	*	H	α-helix	trans	-61	-40.4	175.1	-129.6	95.5	0	0	0	111.9	E4 L6 T11 L12	E4-L8 WeakPolarHBondContact O-CB 3.4Å; E4-L8 PolarHBondContact O-N 3.16Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L8-T11 VanDerWaalsContact CA-OG1 3.22Å; L8-T11 WeakPolarHBondContact CA-OG1 3.36Å; L8-T11 PolarHBondContact O-N 2.89Å; L8-T11 PolarHBondContact O-OG1 3.33Å; L8-L12 HydrophobicContact CD2-CD1 4.15Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 WeakPolarHBondContact O-CD1 3.36Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 2.99Å
9	Y	49.4	Very low	49.8	Very low	166 Å²	166	115.9 Å²	115.9	65%	0.651	64%	0.644	S	S	*	*	H	α-helix	trans	-67	-42.3	177.7	-150.3	-97.1	0	0	0	111.7	A5 L6 V7 L12 L13	A5-Y9 WeakPolarHBondContact O-CB 3.32Å; A5-Y9 PolarHBondContact O-N 3.41Å; L6-Y9 PolarHBondContact O-N 2.9Å; V7-Y9 VanDerWaalsContact C-N 3.31Å; V7-Y9 PolarHBondContact O-N 2.87Å; Y9-L12 PolarHBondContact O-N 2.95Å; Y9-L13 HydrophobicContact CD1-CD1 3.5Å; Y9-L13 VanDerWaalsContact CD1-CD1 3.5Å; Y9-L13 HydrophobicContact CE1-CD1 3.6Å; Y9-L13 WeakPolarHBondContact O-CB 3.5Å; Y9-L13 WeakPolarHBondContact O-CD1 3.42Å; Y9-L13 PolarHBondContact O-N 3.42Å
10	F	49.2	Very low	51.5	Low	138 Å²	138	114.9 Å²	114.9	61%	0.605	63%	0.632	S	S	*	*	H	α-helix	trans	-66.5	-37.2	173.7	-89.1	-76.3	0	0	0	112.5	L6 V7 Q14	L6-F10 HydrophobicContact CD2-CE2 4.15Å; L6-F10 VanDerWaalsContact O-CD2 3.32Å; L6-F10 WeakPolarHBondContact O-CD2 3.43Å; L6-F10 PolarHBondContact O-N 3.26Å; V7-F10 PolarHBondContact O-N 2.83Å; F10-Q14 WeakPolarHBondContact O-CG 3.26Å; F10-Q14 PolarHBondContact O-N 3.02Å
11	T	49.3	Very low	53.2	Low	59 Å²	59	112 Å²	112	36%	0.362	62%	0.619	S	S	.	*	H	α-helix	trans	-71.1	-37.7	173.7	49.9	0	0	0	0	112.3	V7 L8 Q14 I15	V7-T11 HydrophobicContact CG1-CG2 4.45Å; V7-T11 WeakPolarHBondContact O-CG2 3.34Å; V7-T11 PolarHBondContact O-N 3.29Å; V7-T11 PolarHBondContact O-OG1 2.93Å; L8-T11 VanDerWaalsContact CA-OG1 3.22Å; L8-T11 WeakPolarHBondContact CA-OG1 3.36Å; L8-T11 PolarHBondContact O-N 2.89Å; L8-T11 PolarHBondContact O-OG1 3.33Å; T11-Q14 PolarHBondContact O-N 3.41Å; T11-I15 WeakPolarHBondContact O-CD1 3.17Å; T11-I15 WeakPolarHBondContact O-CG1 3.47Å; T11-I15 PolarHBondContact O-N 2.79Å
12	L	42.4	Very low	55.2	Low	98 Å²	98	110.3 Å²	110.3	51%	0.513	61%	0.609	S	S	.	*	H	α-helix	trans	-67.5	-36.5	174.7	-86	156.6	0	0	0	111.9	L8 Y9 Q14 I15 A16	L8-L12 HydrophobicContact CD2-CD1 4.15Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 WeakPolarHBondContact O-CD1 3.36Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 2.99Å; Y9-L12 PolarHBondContact O-N 2.95Å; L12-Q14 VanDerWaalsContact C-N 3.35Å; L12-I15 PolarHBondContact O-N 2.94Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.22Å
13	L	44.2	Very low	57	Low	104 Å²	104	100 Å²	100	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-66.4	-33.8	170.8	-95.6	143.9	0	0	0	112.7	Y9 G17	Y9-L13 HydrophobicContact CD1-CD1 3.5Å; Y9-L13 VanDerWaalsContact CD1-CD1 3.5Å; Y9-L13 HydrophobicContact CE1-CD1 3.6Å; Y9-L13 WeakPolarHBondContact O-CB 3.5Å; Y9-L13 WeakPolarHBondContact O-CD1 3.42Å; Y9-L13 PolarHBondContact O-N 3.42Å; L13-G17 PolarHBondContact O-N 3.39Å
14	Q	41.7	Very low	58.9	Low	160 Å²	160	98.3 Å²	98.3	75%	0.748	56%	0.559	S	S	*	*	H	α-helix	trans	-71.1	-34.4	172.2	-78.7	-162.2	-22	0	0	112.8	F10 T11 L12 G17	F10-Q14 WeakPolarHBondContact O-CG 3.26Å; F10-Q14 PolarHBondContact O-N 3.02Å; T11-Q14 PolarHBondContact O-N 3.41Å; L12-Q14 VanDerWaalsContact C-N 3.35Å; Q14-G17 PolarHBondContact O-N 3.23Å
15	I	41.9	Very low	60.9	Low	125 Å²	125	98.2 Å²	98.2	64%	0.641	56%	0.559	S	S	*	*	H	α-helix	trans	-74.4	-31	176.7	-60.2	157.5	0	0	0	111.1	T11 L12 G17	T11-I15 WeakPolarHBondContact O-CD1 3.17Å; T11-I15 WeakPolarHBondContact O-CG1 3.47Å; T11-I15 PolarHBondContact O-N 2.79Å; L12-I15 PolarHBondContact O-N 2.94Å; I15-G17 PolarHBondContact O-N 2.9Å
16	A	41	Very low	62.9	Low	84 Å²	84	96.2 Å²	96.2	69%	0.694	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.3	172.8	0	0	0	0	0	113.7	L12	L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.22Å
17	G	45.3	Very low	65	Low	62 Å²	62	94.5 Å²	94.5	64%	0.639	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1	-179.9	0	0	0	0	0	115.6	L13 Q14 I15	L13-G17 PolarHBondContact O-N 3.39Å; Q14-G17 PolarHBondContact O-N 3.23Å; I15-G17 PolarHBondContact O-N 2.9Å
18	A	50.9	Low	66.8	Low	94 Å²	94	92 Å²	92	78%	0.777	52%	0.517	S	S	*	.			trans	-95.6	19.4	-174.6	0	0	0	0	0	114.2
19	G	69.3	Low	68.9	Low	58 Å²	58	89.9 Å²	89.9	60%	0.598	51%	0.506	S	S	*	.	S	Bend	trans	-91.8	148.8	176.5	0	0	0	0	0	112.4
20	F	82.9	Confident	71	Confident	95 Å²	95	82 Å²	82	42%	0.417	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-58.9	134.2	163.7	-169.3	-79.9	0	0	0	108.8	E22 I286 F292 F294 T415	F20-E22 PolarHBondContact O-N 3.19Å; F20-I286 HydrophobicContact CD2-CD1 4.2Å; F20-I286 HydrophobicContact CE1-CD1 3.84Å; F20-I286 HydrophobicContact CE2-CD1 3.39Å; F20-I286 HydrophobicContact CZ-CD1 3.18Å; F20-F292 HydrophobicContact CE2-CB 4.26Å; F20-F292 AromaticContact CE2-CD1 3.78Å; F20-F292 HydrophobicContact CE2-CD1 3.78Å; F20-F292 HydrophobicContact CE2-CD2 4.3Å; F20-F292 HydrophobicContact CE2-CE1 4.18Å; F20-F292 AromaticContact CE2-CG 3.85Å; F20-F292 HydrophobicContact CE2-CG 3.85Å; F20-F292 HydrophobicContact CZ-CD1 4.28Å; F20-F292 HydrophobicContact CZ-CE1 4.39Å; F20-F294 HydrophobicContact CZ-CZ 4.2Å; F20-T415 HydrophobicContact CE1-CG2 3.48Å; F20-T415 VanDerWaalsContact CE1-CG2 3.48Å; F20-T415 HydrophobicContact CZ-CG2 3.85Å
21	P	87.3	Confident	73.2	Confident	55 Å²	55	81 Å²	81	36%	0.357	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-56	130.9	-174.5	-24.8	32.9	0	0	0	112.7	I286 L413	P21-I286 HydrophobicContact CG-CG2 4.27Å; P21-L413 HydrophobicContact CB-CD1 3.94Å; P21-L413 HydrophobicContact CG-CD1 4.05Å
22	E	90.3	Very high	75.1	Confident	178 Å²	178	79.3 Å²	79.3	83%	0.832	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-71.7	150.4	174.8	-167.4	169.3	-166.2	0	0	110.9	F20 S24	F20-E22 PolarHBondContact O-N 3.19Å; E22-S24 PolarHBondContact O-N 3.46Å
23	D	90.5	Very high	77.4	Confident	14 Å²	14	78.5 Å²	78.5	8%	0.075	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-65.5	126.6	176.4	-81.2	20.7	0	0	0	109.8	K414 T415 M416	D23-K414 VanDerWaalsContact OD2-CE 3.26Å; D23-K414 WeakPolarHBondContact OD2-CE 3.46Å; D23-K414 IonicContact OD2-NZ 3.65Å; D23-K414 PolarHBondContact OD2-NZ 3.09Å; D23-T415 PolarHBondContact OD1-N 2.76Å; D23-T415 PolarHBondContact OD1-OG1 2.82Å; D23-T415 PolarHBondContact OD2-N 3.2Å; D23-T415 VanDerWaalsContact OD2-N 3.15Å; D23-M416 HydrophobicContact CB-CG 4.46Å; D23-M416 PolarHBondContact OD2-N 3.32Å; D23-M416 VanDerWaalsContact OD2-N 3.11Å
24	S	91.6	Very high	79.6	Confident	57 Å²	57	76.9 Å²	76.9	40%	0.399	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-67.5	144.3	171.3	59.4	0	0	0	0	111.2	E22 F465	E22-S24 PolarHBondContact O-N 3.46Å; S24-F465 VanDerWaalsContact O-CD1 3.32Å; S24-F465 WeakPolarHBondContact O-CD1 3.25Å
25	E	94.9	Very high	82.1	Confident	150 Å²	150	69.4 Å²	69.4	70%	0.701	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-81.9	144.1	171.6	-69.6	-60.5	136.3	0	0	111.6
26	P	96.6	Very high	84.5	Confident	20 Å²	20	68.4 Å²	68.4	13%	0.13	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-73.7	147.9	174.6	30.3	-32.1	0	0	0	111.1	S28 I29 F465 E468	P26-S28 PolarHBondContact O-N 3.37Å; P26-I29 HydrophobicContact CG-CD1 3.94Å; P26-I29 HydrophobicContact CG-CG1 3.6Å; P26-F465 HydrophobicContact CB-CD1 3.69Å; P26-F465 HydrophobicContact CB-CD2 4.08Å; P26-F465 HydrophobicContact CB-CE1 3.59Å; P26-F465 HydrophobicContact CB-CE2 3.98Å; P26-F465 HydrophobicContact CB-CG 3.95Å; P26-F465 HydrophobicContact CB-CZ 3.74Å; P26-F465 HydrophobicContact CG-CD1 4.28Å; P26-F465 HydrophobicContact CG-CE1 3.85Å; P26-F465 HydrophobicContact CG-CZ 4.17Å; P26-F465 VanDerWaalsContact N-CD1 3.32Å; P26-E468 HydrophobicContact CB-CB 4.32Å; P26-E468 HydrophobicContact CG-CB 4.12Å
27	I	96.2	Very high	87	Confident	70 Å²	70	69.4 Å²	69.4	36%	0.359	40%	0.396	S	S	.	.	S	Bend	trans	-62.5	-33.7	171.8	-62.7	172.3	0	0	0	111	L464 F465 L466 A527 R529	I27-L464 HydrophobicContact CD1-CD1 4.18Å; I27-L464 HydrophobicContact CD1-CD2 4.04Å; I27-L464 HydrophobicContact CD1-CG 4.13Å; I27-F465 PolarHBondContact N-O 3.2Å; I27-L466 WeakPolarHBondContact CB-O 3.43Å; I27-L466 HydrophobicContact CD1-CD2 4.11Å; I27-L466 PolarHBondContact N-O 3.38Å; I27-A527 WeakPolarHBondContact CG2-O 3.43Å; I27-R529 HydrophobicContact CD1-CB 4.24Å; I27-R529 HydrophobicContact CD1-CG 4.47Å
28	S	95.2	Very high	89.3	Confident	37 Å²	37	67 Å²	67	26%	0.259	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.1	-177.8	59.9	0	0	0	0	113.2	P26 L466 E467 E468	P26-S28 PolarHBondContact O-N 3.37Å; S28-L466 PolarHBondContact N-O 2.67Å; S28-L466 PolarHBondContact OG-O 3.38Å; S28-E467 VanDerWaalsContact O-CA 3.27Å; S28-E467 WeakPolarHBondContact O-CA 3.41Å; S28-E467 WeakPolarHBondContact OG-CB 3.48Å; S28-E467 VanDerWaalsContact OG-CG 3.28Å; S28-E467 WeakPolarHBondContact OG-CG 3.48Å; S28-E468 PolarHBondContact O-N 3.13Å
29	I	96.4	Very high	91.4	Very high	64 Å²	64	63.8 Å²	63.8	33%	0.328	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.2	177.5	-56.6	177.2	0	0	0	110.2	P26 E468 R517	P26-I29 HydrophobicContact CG-CD1 3.94Å; P26-I29 HydrophobicContact CG-CG1 3.6Å; I29-E468 WeakPolarHBondContact CA-O 3.05Å; I29-R517 PolarHBondContact O-NH2 3.49Å; I29-R517 VanDerWaalsContact O-NH2 3.13Å
30	S	94.6	Very high	92.6	Very high	1 Å²	1	61 Å²	61	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	97.3	177.4	-76.4	0	0	0	0	110.5	E467 E468 L469 N470 R517	S30-E467 WeakPolarHBondContact CB-OE1 3.05Å; S30-E467 PolarHBondContact OG-OE1 2.85Å; S30-E468 PolarHBondContact N-O 2.83Å; S30-L469 WeakPolarHBondContact O-CA 3.35Å; S30-N470 PolarHBondContact O-N 3.36Å; S30-R517 PolarHBondContact OG-NH1 3.26Å
31	H	94.1	Very high	93.1	Very high	117 Å²	117	56.5 Å²	56.5	54%	0.542	29%	0.291	S	S	.	.			trans	-72	162	177.9	-58.7	-75.9	0	0	0	112.8	N33 Y34 T35	H31-N33 PolarHBondContact O-N 2.78Å; H31-N33 VanDerWaalsContact O-N 3.11Å; H31-Y34 PolarHBondContact O-N 2.79Å; H31-T35 PolarHBondContact O-N 3.49Å
32	G	89.1	Confident	93.3	Very high	22 Å²	22	54.5 Å²	54.5	23%	0.227	28%	0.278	C	S	.	.	H	α-helix	trans	-52.7	-33.3	178.3	0	0	0	0	0	114.3	Y34 T35 K36	G32-Y34 PolarHBondContact O-N 3.3Å; G32-T35 WeakPolarHBondContact CA-OG1 3.4Å; G32-T35 PolarHBondContact O-N 3.5Å; G32-T35 PolarHBondContact O-OG1 2.93Å; G32-K36 WeakPolarHBondContact O-CB 3.24Å; G32-K36 PolarHBondContact O-N 3.41Å
33	N	90.4	Very high	93.2	Very high	82 Å²	82	46.7 Å²	46.7	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-32.6	177.3	-72.5	-12.7	0	0	0	113	H31 K36	H31-N33 PolarHBondContact O-N 2.78Å; H31-N33 VanDerWaalsContact O-N 3.11Å; N33-K36 VanDerWaalsContact O-CE 3.3Å; N33-K36 WeakPolarHBondContact O-CE 3.26Å; N33-K36 WeakPolarHBondContact O-CG 3.46Å
34	Y	91.8	Very high	93	Very high	69 Å²	69	47.5 Å²	47.5	27%	0.271	25%	0.248	S	C	.	.	H	α-helix	trans	-88.6	-40.6	177.6	178.7	-102.1	0	0	0	112	H31 G32 Q37 Y38 R514	H31-Y34 PolarHBondContact O-N 2.79Å; G32-Y34 PolarHBondContact O-N 3.3Å; Y34-Q37 VanDerWaalsContact CE2-NE2 3.29Å; Y34-Q37 VanDerWaalsContact O-CD 3.32Å; Y34-Q37 VanDerWaalsContact O-CG 3.23Å; Y34-Q37 WeakPolarHBondContact O-CG 3.32Å; Y34-Q37 PolarHBondContact O-NE2 3.01Å; Y34-Y38 VanDerWaalsContact CE1-OH 3.32Å; Y34-Y38 WeakPolarHBondContact CE1-OH 3.21Å; Y34-R514 HydrophobicContact CE1-CG 3.88Å
35	T	94	Very high	92.5	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-79.4	-17.4	-174.7	60.7	0	0	0	0	113.6	H31 G32 Q37 Y38 N470	H31-T35 PolarHBondContact O-N 3.49Å; G32-T35 WeakPolarHBondContact CA-OG1 3.4Å; G32-T35 PolarHBondContact O-N 3.5Å; G32-T35 PolarHBondContact O-OG1 2.93Å; T35-Q37 PolarHBondContact O-N 2.97Å; T35-Q37 VanDerWaalsContact O-N 3.08Å; T35-Y38 HydrophobicContact CG2-CD2 4.3Å; T35-Y38 HydrophobicContact CG2-CE2 3.65Å; T35-Y38 VanDerWaalsContact O-CB 3.31Å; T35-Y38 WeakPolarHBondContact O-CB 3.09Å; T35-Y38 VanDerWaalsContact O-CD2 3.28Å; T35-Y38 WeakPolarHBondContact O-CD2 3.07Å; T35-Y38 VanDerWaalsContact O-CG 3.26Å; T35-Y38 PolarHBondContact O-N 3.16Å; T35-N470 VanDerWaalsContact CB-O 3.29Å; T35-N470 WeakPolarHBondContact CB-O 3.21Å; T35-N470 VanDerWaalsContact CG2-O 3.31Å; T35-N470 WeakPolarHBondContact CG2-O 3.17Å; T35-N470 PolarHBondContact OG1-O 3.28Å
36	K	92.6	Very high	91.5	Very high	104 Å²	104	46.9 Å²	46.9	45%	0.452	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.7	176.7	69.3	-177	-177.5	179.3	0	113.9	G32 N33 Y38 N473	G32-K36 WeakPolarHBondContact O-CB 3.24Å; G32-K36 PolarHBondContact O-N 3.41Å; N33-K36 VanDerWaalsContact O-CE 3.3Å; N33-K36 WeakPolarHBondContact O-CE 3.26Å; N33-K36 WeakPolarHBondContact O-CG 3.46Å; K36-Y38 PolarHBondContact O-N 3.4Å; K36-N473 PolarHBondContact O-ND2 3.23Å
37	Q	92.2	Very high	90.1	Very high	106 Å²	106	49.8 Å²	49.8	50%	0.495	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.7	176.8	76	-167	-34.2	0	0	112.9	Y34 T35	Y34-Q37 VanDerWaalsContact CE2-NE2 3.29Å; Y34-Q37 VanDerWaalsContact O-CD 3.32Å; Y34-Q37 VanDerWaalsContact O-CG 3.23Å; Y34-Q37 WeakPolarHBondContact O-CG 3.32Å; Y34-Q37 PolarHBondContact O-NE2 3.01Å; T35-Q37 PolarHBondContact O-N 2.97Å; T35-Q37 VanDerWaalsContact O-N 3.08Å
38	Y	94.8	Very high	88.6	Confident	12 Å²	12	55.5 Å²	55.5	5%	0.047	29%	0.294	C	S	.	.	S	Bend	trans	-64	141.5	-175.8	-63.8	-27.3	0	0	0	112.1	Y34 T35 K36 K476 V510 P511 R514	Y34-Y38 VanDerWaalsContact CE1-OH 3.32Å; Y34-Y38 WeakPolarHBondContact CE1-OH 3.21Å; T35-Y38 HydrophobicContact CG2-CD2 4.3Å; T35-Y38 HydrophobicContact CG2-CE2 3.65Å; T35-Y38 VanDerWaalsContact O-CB 3.31Å; T35-Y38 WeakPolarHBondContact O-CB 3.09Å; T35-Y38 VanDerWaalsContact O-CD2 3.28Å; T35-Y38 WeakPolarHBondContact O-CD2 3.07Å; T35-Y38 VanDerWaalsContact O-CG 3.26Å; T35-Y38 PolarHBondContact O-N 3.16Å; K36-Y38 PolarHBondContact O-N 3.4Å; Y38-K476 PolarHBondContact O-NZ 2.01Å; Y38-V510 HydrophobicContact CD2-CG1 4.31Å; Y38-V510 HydrophobicContact CD2-CG2 4.19Å; Y38-V510 HydrophobicContact CE2-CG1 3.93Å; Y38-P511 HydrophobicContact CD1-CG 4.39Å; Y38-P511 HydrophobicContact CE1-CG 3.98Å; Y38-R514 WeakPolarHBondContact OH-CD 3.41Å
39	P	94.6	Very high	86.6	Confident	25 Å²	25	61.7 Å²	61.7	16%	0.162	32%	0.324	C	S	.	.			trans	-56	138.3	174.1	-29.5	38.4	0	0	0	111.7	G87 D88 I90 K509	P39-G87 VanDerWaalsContact CB-O 3.23Å; P39-G87 WeakPolarHBondContact CB-O 3.29Å; P39-G87 WeakPolarHBondContact CG-O 3.17Å; P39-D88 WeakPolarHBondContact CA-O 3.26Å; P39-I90 HydrophobicContact CB-CD1 3.75Å; P39-I90 HydrophobicContact CB-CG1 3.69Å; P39-K509 HydrophobicContact CB-CB 4.3Å; P39-K509 PolarHBondContact O-N 2.95Å
40	A	94	Very high	84.8	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.008	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.1	174.7	0	0	0	0	0	111.9	I90 K476 V507 V508	A40-I90 PolarHBondContact O-N 3.35Å; A40-K476 HydrophobicContact CB-CB 4.27Å; A40-K476 HydrophobicContact CB-CD 3.66Å; A40-V507 CarbonylContact C-O 3.39Å; A40-V507 VanDerWaalsContact CA-O 3.26Å; A40-V507 WeakPolarHBondContact CA-O 3.46Å; A40-V508 HydrophobicContact CB-CG2 4.26Å
41	F	93.6	Very high	83.1	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.8	170.2	173.6	-97.5	0	0	0	109.8	G43 L56 I70 Y78 V80 I90 F92 C506 V507	F41-G43 VanDerWaalsContact CZ-CA 3.42Å; F41-L56 HydrophobicContact CD1-CD1 4.27Å; F41-L56 HydrophobicContact CE1-CD1 3.93Å; F41-I70 HydrophobicContact CB-CD1 4.38Å; F41-I70 HydrophobicContact CD1-CD1 3.37Å; F41-I70 HydrophobicContact CD2-CD1 4.25Å; F41-I70 HydrophobicContact CE1-CD1 3.55Å; F41-I70 HydrophobicContact CE1-CG2 4.28Å; F41-I70 HydrophobicContact CE2-CD1 4.43Å; F41-I70 HydrophobicContact CG-CD1 3.73Å; F41-I70 HydrophobicContact CZ-CD1 4.09Å; F41-Y78 HydrophobicContact CE1-CD2 4.36Å; F41-Y78 HydrophobicContact CE1-CG 4.33Å; F41-Y78 AromaticContact CZ-CD1 3.93Å; F41-Y78 HydrophobicContact CZ-CD1 3.93Å; F41-Y78 HydrophobicContact CZ-CD2 4.12Å; F41-Y78 AromaticContact CZ-CG 3.67Å; F41-Y78 HydrophobicContact CZ-CG 3.67Å; F41-V80 HydrophobicContact CD2-CG2 3.95Å; F41-V80 HydrophobicContact CE2-CG2 4.19Å; F41-I90 HydrophobicContact CB-CB 3.92Å; F41-I90 HydrophobicContact CB-CG2 4.09Å; F41-I90 HydrophobicContact CD2-CG2 4.32Å; F41-I90 VanDerWaalsContact CD2-O 3.29Å; F41-I90 WeakPolarHBondContact CD2-O 3.05Å; F41-F92 HydrophobicContact CE2-CB 3.89Å; F41-F92 HydrophobicContact CE2-CD1 4.47Å; F41-F92 HydrophobicContact CZ-CB 4.42Å; F41-C506 VanDerWaalsContact O-CA 3.23Å; F41-C506 WeakPolarHBondContact O-CA 3.39Å; F41-C506 WeakPolarHBondContact O-CB 3.03Å; F41-V507 HydrophobicContact CB-CB 4.17Å; F41-V507 HydrophobicContact CD1-CG2 4.28Å; F41-V507 PolarHBondContact N-O 3.29Å; F41-V507 PolarHBondContact O-N 3.11Å
42	V	91.3	Very high	81.7	Confident	13 Å²	13	70.2 Å²	70.2	8%	0.079	38%	0.376	C	S	.	.			trans	-128.5	13.9	178.5	-61.4	0	0	0	0	113.2	E89 K476 C506	V42-E89 VanDerWaalsContact CG2-OE1 3.23Å; V42-E89 WeakPolarHBondContact CG2-OE1 3.36Å; V42-K476 HydrophobicContact CG1-CB 4.42Å; V42-K476 WeakPolarHBondContact CG1-O 3.41Å; V42-C506 HydrophobicContact CG1-CB 4.28Å
43	G	88.4	Confident	80.9	Confident	14 Å²	14	73.7 Å²	73.7	14%	0.144	38%	0.382	C	S	.	.	S	Bend	trans	91.1	8	174	0	0	0	0	0	116.2	F41 F92	F41-G43 VanDerWaalsContact CZ-CA 3.42Å; G43-F92 WeakPolarHBondContact O-CE1 3.12Å
44	H	86.7	Confident	80.1	Confident	30 Å²	30	75.3 Å²	75.3	14%	0.139	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-82.7	153.4	179.9	-63.6	160.9	0	0	0	113.4	E89 F91 F92	H44-E89 WeakPolarHBondContact CB-OE1 3.48Å; H44-E89 IonicContact CE1-OE1 3.55Å; H44-E89 IonicContact CG-OE1 2.87Å; H44-E89 IonicContact ND1-OE1 2.76Å; H44-E89 PolarHBondContact ND1-OE1 2.98Å; H44-F91 HydrophobicContact CB-CD1 4.04Å; H44-F91 HydrophobicContact CB-CE1 4.1Å; H44-F92 VanDerWaalsContact C-CE1 3.48Å; H44-F92 WeakPolarHBondContact O-CD1 3.47Å; H44-F92 WeakPolarHBondContact O-CE1 3.44Å; H44-F92 PolarHBondContact O-N 3.45Å
45	K	80.6	Confident	79.6	Confident	121 Å²	121	76.7 Å²	76.7	53%	0.526	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-94.2	146.5	171.6	-168.9	173.5	179.1	-177.7	0	108.9	G47 R48 F92	K45-G47 PolarHBondContact O-N 2.89Å; K45-R48 PolarHBondContact O-N 3.03Å; K45-F92 HydrophobicContact CB-CE1 3.72Å; K45-F92 HydrophobicContact CB-CE2 4.34Å; K45-F92 HydrophobicContact CB-CZ 3.54Å; K45-F92 HydrophobicContact CD-CE2 4.39Å; K45-F92 HydrophobicContact CD-CZ 4.14Å; K45-F92 HydrophobicContact CG-CE1 4.42Å; K45-F92 HydrophobicContact CG-CE2 4.18Å; K45-F92 HydrophobicContact CG-CZ 3.84Å
46	P	73.8	Confident	79.4	Confident	74 Å²	74	77.1 Å²	77.1	48%	0.481	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	136.5	172.5	-22.5	33.6	0	0	0	111.3	R48 F91	P46-R48 PolarHBondContact O-N 2.95Å; P46-F91 HydrophobicContact CB-CG 4.45Å; P46-F91 HydrophobicContact CG-CB 3.62Å; P46-F91 HydrophobicContact CG-CD2 4.45Å; P46-F91 HydrophobicContact CG-CG 3.95Å
47	G	67.6	Low	79.3	Confident	81 Å²	81	73.6 Å²	73.6	84%	0.835	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	3.7	173.2	0	0	0	0	0	116.7	K45	K45-G47 PolarHBondContact O-N 2.89Å
48	R	64.1	Low	79.4	Confident	189 Å²	189	68.7 Å²	68.7	71%	0.713	36%	0.359	S	S	*	.			trans	-111	105	168.1	-79.2	-171.4	176.7	-176.3	-1.6	110.2	K45 P46 N50	K45-R48 PolarHBondContact O-N 3.03Å; P46-R48 PolarHBondContact O-N 2.95Å; R48-N50 PolarHBondContact O-N 2.97Å
49	N	54.6	Low	79.4	Confident	168 Å²	168	69.8 Å²	69.8	90%	0.898	37%	0.365	S	S	*	.			trans	-74.5	69.2	166.8	-74.4	-4	0	0	0	109.5	T51	N49-T51 PolarHBondContact O-N 2.65Å
50	N	57	Low	79.4	Confident	88 Å²	88	70.5 Å²	70.5	47%	0.471	37%	0.367	S	S	.	.			trans	-82.6	112.4	172.9	-150.4	23.6	0	0	0	107.9	R48 Q52	R48-N50 PolarHBondContact O-N 2.97Å; N50-Q52 PolarHBondContact O-N 2.64Å
51	T	60.3	Low	79.5	Confident	142 Å²	142	71 Å²	71	87%	0.871	37%	0.369	S	S	*	.			trans	-73.4	-17.2	177.3	46.3	0	0	0	0	112.3	N49 R53	N49-T51 PolarHBondContact O-N 2.65Å; T51-R53 PolarHBondContact O-N 3.07Å
52	Q	65.3	Low	79.5	Confident	131 Å²	131	73.2 Å²	73.2	61%	0.612	38%	0.381	S	S	*	.			trans	-89.3	104.9	-179	-147.4	174	32.8	0	0	110.8	N50	N50-Q52 PolarHBondContact O-N 2.64Å
53	R	71.4	Confident	79.7	Confident	94 Å²	94	74.1 Å²	74.1	36%	0.355	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-86.4	130.3	174.3	-66.1	-177.6	-176.4	165.2	3.8	109.6	T51 D475 K476	T51-R53 PolarHBondContact O-N 3.07Å; R53-D475 PolarHBondContact NH1-O 3.13Å; R53-K476 PolarHBondContact NH1-O 3.4Å
54	H	74.4	Confident	79.9	Confident	117 Å²	117	74 Å²	74	54%	0.542	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-102.3	147.1	169.6	-64.2	-60.4	0	0	0	109.8	L56	H54-L56 PolarHBondContact O-N 2.93Å
55	K	80.7	Confident	79.8	Confident	98 Å²	98	78.6 Å²	78.6	43%	0.426	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-57.9	120.2	173.3	-158.6	177	-174.3	-140.1	0	110.3	D57 I479	K55-D57 WeakPolarHBondContact CD-OD1 3Å; K55-D57 WeakPolarHBondContact CD-OD2 3.36Å; K55-D57 WeakPolarHBondContact CE-OD1 3.02Å; K55-D57 HydrophobicContact CG-CB 4.45Å; K55-D57 IonicContact NZ-OD1 3.83Å; K55-D57 PolarHBondContact NZ-OD1 3.46Å; K55-D57 IonicContact NZ-OD2 3.47Å; K55-D57 PolarHBondContact NZ-OD2 3.05Å; K55-I479 HydrophobicContact CB-CD1 4.48Å
56	L	88.5	Confident	80.2	Confident	11 Å²	11	77.9 Å²	77.9	6%	0.058	40%	0.401	C	S	.	.			trans	-77.9	-31.4	177.9	-60.8	-176.1	0	0	0	112.3	F41 H54 I58 A72 S73 Y78 S505	F41-L56 HydrophobicContact CD1-CD1 4.27Å; F41-L56 HydrophobicContact CE1-CD1 3.93Å; H54-L56 PolarHBondContact O-N 2.93Å; L56-I58 VanDerWaalsContact C-N 3.26Å; L56-I58 HydrophobicContact CB-CD1 4.38Å; L56-I58 HydrophobicContact CB-CG1 3.81Å; L56-I58 HydrophobicContact CD1-CD1 4.07Å; L56-I58 HydrophobicContact CD1-CG1 4.36Å; L56-I58 PolarHBondContact O-N 2.87Å; L56-A72 WeakPolarHBondContact O-CB 3.32Å; L56-S73 PolarHBondContact O-N 3.39Å; L56-S73 PolarHBondContact O-OG 3.38Å; L56-Y78 HydrophobicContact CD2-CE2 4.42Å; L56-S505 WeakPolarHBondContact CD1-O 2.99Å
57	D	91	Very high	81.1	Confident	31 Å²	31	76.4 Å²	76.4	17%	0.166	39%	0.39	C	S	.	.			trans	47.3	51.2	-179.9	-89.6	-34.9	0	0	0	110.8	K55 Q59 S73 T504	K55-D57 WeakPolarHBondContact CD-OD1 3Å; K55-D57 WeakPolarHBondContact CD-OD2 3.36Å; K55-D57 WeakPolarHBondContact CE-OD1 3.02Å; K55-D57 HydrophobicContact CG-CB 4.45Å; K55-D57 IonicContact NZ-OD1 3.83Å; K55-D57 PolarHBondContact NZ-OD1 3.46Å; K55-D57 IonicContact NZ-OD2 3.47Å; K55-D57 PolarHBondContact NZ-OD2 3.05Å; D57-Q59 PolarHBondContact O-N 2.83Å; D57-Q59 PolarHBondContact O-NE2 3.15Å; D57-S73 WeakPolarHBondContact CA-OG 3.26Å; D57-S73 WeakPolarHBondContact CB-OG 3.37Å; D57-S73 WeakPolarHBondContact O-CB 3.39Å; D57-S73 PolarHBondContact O-N 2.89Å; D57-S73 VanDerWaalsContact O-N 3.12Å; D57-S73 PolarHBondContact O-OG 3.35Å; D57-T504 CarbonylContact C-O 3.54Å; D57-T504 WeakPolarHBondContact CA-O 3.31Å; D57-T504 PolarHBondContact N-O 2.73Å
58	I	94.3	Very high	82.4	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	139.7	-177.5	-57.2	175.7	0	0	0	110.2	L56 I61 I70 I488 A502 F503 T504 V507	L56-I58 VanDerWaalsContact C-N 3.26Å; L56-I58 HydrophobicContact CB-CD1 4.38Å; L56-I58 HydrophobicContact CB-CG1 3.81Å; L56-I58 HydrophobicContact CD1-CD1 4.07Å; L56-I58 HydrophobicContact CD1-CG1 4.36Å; L56-I58 PolarHBondContact O-N 2.87Å; I58-I61 HydrophobicContact CG2-CG2 4.31Å; I58-I70 HydrophobicContact CD1-CG2 3.82Å; I58-I70 HydrophobicContact CG1-CG2 4.05Å; I58-I70 HydrophobicContact CG2-CG2 3.87Å; I58-I488 VanDerWaalsContact C-CD1 3.4Å; I58-I488 HydrophobicContact CB-CD1 3.72Å; I58-I488 HydrophobicContact CG2-CD1 3.68Å; I58-I488 WeakPolarHBondContact O-CD1 3.4Å; I58-A502 HydrophobicContact CG2-CB 4.4Å; I58-F503 WeakPolarHBondContact CB-O 3.28Å; I58-T504 PolarHBondContact N-O 3.21Å; I58-V507 HydrophobicContact CD1-CG2 3.57Å
59	Q	94.6	Very high	84	Confident	36 Å²	36	64 Å²	64	17%	0.168	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-42.7	-177.7	-64.3	-56.5	-59.5	0	0	112.1	D57 A71 F121 I122 K123 A170	D57-Q59 PolarHBondContact O-N 2.83Å; D57-Q59 PolarHBondContact O-NE2 3.15Å; Q59-A71 PolarHBondContact N-O 3.26Å; Q59-F121 HydrophobicContact CG-CB 4.39Å; Q59-F121 HydrophobicContact CG-CD1 4.42Å; Q59-I122 WeakPolarHBondContact CB-O 3.49Å; Q59-I122 WeakPolarHBondContact CG-O 3.13Å; Q59-K123 HydrophobicContact CB-CD 4.28Å; Q59-K123 HydrophobicContact CG-CD 4.13Å; Q59-K123 VanDerWaalsContact OE1-CD 3.31Å; Q59-A170 PolarHBondContact OE1-O 2.97Å
60	L	94.4	Very high	85.9	Confident	40 Å²	40	56 Å²	56	21%	0.209	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	163.2	174.9	67.8	125.5	0	0	0	111.4	A71 L125	L60-A71 HydrophobicContact CD2-CB 3.93Å; L60-A71 HydrophobicContact CG-CB 3.79Å; L60-A71 PolarHBondContact O-N 3.07Å; L60-L125 HydrophobicContact CD1-CB 4.26Å
61	I	96.5	Very high	87.6	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.2	170.1	55.7	162.2	0	0	0	109.5	I58 L68 Y69 I70 Q491 W500 A502 V507	I58-I61 HydrophobicContact CG2-CG2 4.31Å; I61-L68 HydrophobicContact CB-CD1 4.16Å; I61-Y69 VanDerWaalsContact CA-O 3.29Å; I61-Y69 WeakPolarHBondContact CA-O 3.36Å; I61-I70 HydrophobicContact CG2-CB 4.33Å; I61-I70 HydrophobicContact CG2-CG1 4.06Å; I61-I70 HydrophobicContact CG2-CG2 4.12Å; I61-Q491 HydrophobicContact CD1-CB 4.26Å; I61-Q491 HydrophobicContact CD1-CG 3.93Å; I61-Q491 HydrophobicContact CG1-CG 3.96Å; I61-W500 HydrophobicContact CD1-CB 4.06Å; I61-A502 HydrophobicContact CB-CB 4.42Å; I61-A502 HydrophobicContact CD1-CB 3.82Å; I61-A502 HydrophobicContact CG1-CB 3.84Å; I61-A502 HydrophobicContact CG2-CB 3.71Å; I61-V507 HydrophobicContact CD1-CG1 4.4Å; I61-V507 HydrophobicContact CG2-CG2 4.05Å
62	L	95.1	Very high	88.4	Confident	47 Å²	47	45.1 Å²	45.1	25%	0.246	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	139.9	177.9	-176.4	68	0	0	0	109.5	M64 Y69	L62-M64 HydrophobicContact CD2-CE 3.72Å; L62-M64 HydrophobicContact CD2-CG 3.79Å; L62-M64 HydrophobicContact CD2-SD 3.63Å; L62-M64 HydrophobicContact CG-CE 4.38Å; L62-M64 HydrophobicContact CG-CG 4.04Å; L62-M64 HydrophobicContact CG-SD 4.47Å; L62-Y69 PolarHBondContact N-O 3.01Å; L62-Y69 PolarHBondContact O-N 3.46Å
63	I	94.4	Very high	88.4	Confident	33 Å²	33	39 Å²	39	17%	0.169	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.6	170.9	-61.4	179	0	0	0	108.5	L68 Q491 D493 W500	I63-L68 HydrophobicContact CD1-CD1 4.33Å; I63-L68 HydrophobicContact CG1-CB 4.45Å; I63-L68 HydrophobicContact CG1-CD1 3.64Å; I63-Q491 HydrophobicContact CD1-CB 3.77Å; I63-Q491 HydrophobicContact CG1-CB 3.92Å; I63-Q491 HydrophobicContact CG1-CG 4.32Å; I63-D493 HydrophobicContact CD1-CB 3.83Å; I63-W500 HydrophobicContact CD1-CG 4.4Å
64	M	91.8	Very high	88.2	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.059	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.3	171.9	-66.8	174.4	-78.4	0	0	107.6	L62 R66 T67 Y69 L125 Q127 L133 M150	L62-M64 HydrophobicContact CD2-CE 3.72Å; L62-M64 HydrophobicContact CD2-CG 3.79Å; L62-M64 HydrophobicContact CD2-SD 3.63Å; L62-M64 HydrophobicContact CG-CE 4.38Å; L62-M64 HydrophobicContact CG-CG 4.04Å; L62-M64 HydrophobicContact CG-SD 4.47Å; M64-R66 PolarHBondContact O-N 3.26Å; M64-T67 PolarHBondContact N-O 3.24Å; M64-T67 PolarHBondContact O-N 2.87Å; M64-Y69 HydrophobicContact CB-CD2 4.29Å; M64-Y69 HydrophobicContact CB-CE2 3.93Å; M64-Y69 HydrophobicContact CE-CD1 4.07Å; M64-Y69 HydrophobicContact CE-CD2 3.29Å; M64-Y69 HydrophobicContact CE-CE1 4.27Å; M64-Y69 HydrophobicContact CE-CE2 3.53Å; M64-Y69 HydrophobicContact CE-CG 3.59Å; M64-L125 HydrophobicContact CE-CD1 4.43Å; M64-L125 HydrophobicContact CE-CD2 4.37Å; M64-L125 HydrophobicContact CE-CG 4.27Å; M64-Q127 HydrophobicContact SD-CB 3.78Å; M64-L133 HydrophobicContact CE-CD2 3.61Å; M64-L133 HydrophobicContact SD-CD2 3.79Å; M64-M150 HydrophobicContact CB-CE 4.2Å; M64-M150 HydrophobicContact SD-CE 4.43Å
65	N	86.3	Confident	88.5	Confident	126 Å²	126	34.1 Å²	34.1	67%	0.674	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	-99.1	-171.8	-59.7	-30	0	0	0	113.3
66	R	87.7	Confident	88.9	Confident	106 Å²	106	30.7 Å²	30.7	40%	0.4	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	13.6	177.9	-51.8	-169.2	89.9	171.9	-0.7	112	M64 T82 E83	M64-R66 PolarHBondContact O-N 3.26Å; R66-T82 WeakPolarHBondContact O-CG2 3.43Å; R66-T82 PolarHBondContact O-N 3.21Å; R66-T82 VanDerWaalsContact O-N 3.1Å; R66-T82 PolarHBondContact O-OG1 2.99Å; R66-E83 VanDerWaalsContact CD-OE1 3.27Å; R66-E83 WeakPolarHBondContact CD-OE1 3.43Å; R66-E83 IonicContact CZ-OE1 3.84Å; R66-E83 IonicContact CZ-OE2 3.05Å; R66-E83 IonicContact NE-OE1 2.74Å; R66-E83 PolarHBondContact NE-OE1 2.03Å; R66-E83 IonicContact NH1-OE1 2.96Å; R66-E83 PolarHBondContact NH1-OE1 2.65Å; R66-E83 IonicContact NH1-OE2 3.22Å; R66-E83 PolarHBondContact NH1-OE2 3.45Å; R66-E83 VanDerWaalsContact NH1-OE2 3.16Å; R66-E83 IonicContact NH2-OE1 3.38Å; R66-E83 PolarHBondContact NH2-OE1 3.36Å; R66-E83 IonicContact NH2-OE2 2.59Å; R66-E83 PolarHBondContact NH2-OE2 3.1Å
67	T	93.3	Very high	89.2	Confident	42 Å²	42	30.2 Å²	30.2	26%	0.258	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.9	-175.9	-57.1	0	0	0	0	109.2	M64 Y69 T79 V80	M64-T67 PolarHBondContact N-O 3.24Å; M64-T67 PolarHBondContact O-N 2.87Å; T67-Y69 HydrophobicContact CG2-CD2 4.07Å; T67-Y69 HydrophobicContact CG2-CE2 3.65Å; T67-Y69 WeakPolarHBondContact O-CD2 3.45Å; T67-T79 HydrophobicContact CG2-CG2 4.12Å; T67-V80 WeakPolarHBondContact CA-O 3.03Å
68	L	95.8	Very high	89.4	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.2	168.1	176.4	73.7	0	0	0	108.4	I61 I63 I70 T79 V80 T82 W500 V507	I61-L68 HydrophobicContact CB-CD1 4.16Å; I63-L68 HydrophobicContact CD1-CD1 4.33Å; I63-L68 HydrophobicContact CG1-CB 4.45Å; I63-L68 HydrophobicContact CG1-CD1 3.64Å; L68-I70 HydrophobicContact CD2-CD1 3.97Å; L68-I70 HydrophobicContact CD2-CG1 3.99Å; L68-I70 HydrophobicContact CG-CD1 4.48Å; L68-I70 HydrophobicContact CG-CG1 4Å; L68-T79 CarbonylContact O-C 3.52Å; L68-T79 VanDerWaalsContact O-CA 3.31Å; L68-T79 WeakPolarHBondContact O-CA 3.48Å; L68-V80 HydrophobicContact CB-CB 4.27Å; L68-V80 HydrophobicContact CD2-CB 4.46Å; L68-V80 PolarHBondContact N-O 3.09Å; L68-V80 PolarHBondContact O-N 2.86Å; L68-T82 HydrophobicContact CB-CG2 4.07Å; L68-W500 HydrophobicContact CD1-CB 4.43Å; L68-W500 HydrophobicContact CD1-CG 4.37Å; L68-W500 HydrophobicContact CD2-CD2 3.69Å; L68-W500 HydrophobicContact CD2-CE3 3.37Å; L68-W500 HydrophobicContact CD2-CG 4.28Å; L68-W500 HydrophobicContact CD2-CH2 4.13Å; L68-W500 HydrophobicContact CD2-CZ2 4.45Å; L68-W500 HydrophobicContact CD2-CZ3 3.58Å; L68-V507 HydrophobicContact CD2-CG1 4.4Å
69	Y	96.1	Very high	89.4	Confident	10 Å²	10	29.9 Å²	29.9	4%	0.039	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.7	171.3	-66.8	-102.8	0	0	0	109.2	I61 L62 M64 T67 I77 T79 L125 L133 L153	I61-Y69 VanDerWaalsContact CA-O 3.29Å; I61-Y69 WeakPolarHBondContact CA-O 3.36Å; L62-Y69 PolarHBondContact N-O 3.01Å; L62-Y69 PolarHBondContact O-N 3.46Å; M64-Y69 HydrophobicContact CB-CD2 4.29Å; M64-Y69 HydrophobicContact CB-CE2 3.93Å; M64-Y69 HydrophobicContact CE-CD1 4.07Å; M64-Y69 HydrophobicContact CE-CD2 3.29Å; M64-Y69 HydrophobicContact CE-CE1 4.27Å; M64-Y69 HydrophobicContact CE-CE2 3.53Å; M64-Y69 HydrophobicContact CE-CG 3.59Å; T67-Y69 HydrophobicContact CG2-CD2 4.07Å; T67-Y69 HydrophobicContact CG2-CE2 3.65Å; T67-Y69 WeakPolarHBondContact O-CD2 3.45Å; Y69-I77 HydrophobicContact CD1-CG2 4.06Å; Y69-T79 HydrophobicContact CD1-CG2 3.68Å; Y69-T79 HydrophobicContact CE1-CG2 3.62Å; Y69-T79 HydrophobicContact CG-CG2 4.4Å; Y69-L125 HydrophobicContact CD1-CD2 4.41Å; Y69-L125 HydrophobicContact CG-CD2 4.24Å; Y69-L133 HydrophobicContact CD1-CD1 4.18Å; Y69-L133 HydrophobicContact CE1-CD1 3.55Å; Y69-L153 HydrophobicContact CE1-CD2 4.15Å
70	I	95.7	Very high	89.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	102.7	179.8	-53.4	172.2	0	0	0	106.9	F41 I58 I61 L68 A72 I77 Y78 V80 V507	F41-I70 HydrophobicContact CB-CD1 4.38Å; F41-I70 HydrophobicContact CD1-CD1 3.37Å; F41-I70 HydrophobicContact CD2-CD1 4.25Å; F41-I70 HydrophobicContact CE1-CD1 3.55Å; F41-I70 HydrophobicContact CE1-CG2 4.28Å; F41-I70 HydrophobicContact CE2-CD1 4.43Å; F41-I70 HydrophobicContact CG-CD1 3.73Å; F41-I70 HydrophobicContact CZ-CD1 4.09Å; I58-I70 HydrophobicContact CD1-CG2 3.82Å; I58-I70 HydrophobicContact CG1-CG2 4.05Å; I58-I70 HydrophobicContact CG2-CG2 3.87Å; I61-I70 HydrophobicContact CG2-CB 4.33Å; I61-I70 HydrophobicContact CG2-CG1 4.06Å; I61-I70 HydrophobicContact CG2-CG2 4.12Å; L68-I70 HydrophobicContact CD2-CD1 3.97Å; L68-I70 HydrophobicContact CD2-CG1 3.99Å; L68-I70 HydrophobicContact CG-CD1 4.48Å; L68-I70 HydrophobicContact CG-CG1 4Å; I70-A72 PolarHBondContact O-N 3Å; I70-I77 WeakPolarHBondContact O-CA 3.21Å; I70-Y78 PolarHBondContact N-O 3.36Å; I70-Y78 PolarHBondContact O-N 3.13Å; I70-V80 HydrophobicContact CD1-CG2 4.06Å; I70-V507 HydrophobicContact CD1-CB 4.38Å; I70-V507 HydrophobicContact CD1-CG2 3.84Å; I70-V507 HydrophobicContact CG1-CG2 4.24Å; I70-V507 HydrophobicContact CG2-CG2 4.05Å
71	A	92.1	Very high	89.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	104.6	174.8	0	0	0	0	0	108.2	Q59 L60 I122	Q59-A71 PolarHBondContact N-O 3.26Å; L60-A71 HydrophobicContact CD2-CB 3.93Å; L60-A71 HydrophobicContact CG-CB 3.79Å; L60-A71 PolarHBondContact O-N 3.07Å; A71-I122 HydrophobicContact CB-CB 4.08Å; A71-I122 HydrophobicContact CB-CG2 3.93Å
72	A	77.7	Confident	89	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.1	-179	0	0	0	0	0	110.4	L56 I70 R74 H76 Y78	L56-A72 WeakPolarHBondContact O-CB 3.32Å; I70-A72 PolarHBondContact O-N 3Å; A72-R74 VanDerWaalsContact C-N 3.32Å; A72-R74 PolarHBondContact O-N 3.35Å; A72-H76 CarbonylContact C-O 3.51Å; A72-H76 PolarHBondContact N-O 3.41Å; A72-Y78 HydrophobicContact CB-CD2 3.76Å; A72-Y78 HydrophobicContact CB-CE2 3.49Å; A72-Y78 VanDerWaalsContact CB-CE2 3.49Å
73	S	65.7	Low	88.6	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.014	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-24	-168.6	57.9	0	0	0	0	116.4	L56 D57 D75 N120	L56-S73 PolarHBondContact O-N 3.39Å; L56-S73 PolarHBondContact O-OG 3.38Å; D57-S73 WeakPolarHBondContact CA-OG 3.26Å; D57-S73 WeakPolarHBondContact CB-OG 3.37Å; D57-S73 WeakPolarHBondContact O-CB 3.39Å; D57-S73 PolarHBondContact O-N 2.89Å; D57-S73 VanDerWaalsContact O-N 3.12Å; D57-S73 PolarHBondContact O-OG 3.35Å; S73-D75 PolarHBondContact O-N 3.06Å; S73-D75 VanDerWaalsContact O-N 3.11Å; S73-N120 CarbonylContact O-C 3.58Å
74	R	66.3	Low	88.1	Confident	99 Å²	99	33.3 Å²	33.3	37%	0.374	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	62.6	-168.4	-145.2	175.6	-153.7	151.1	10.4	108.8	A72 H76 H119	A72-R74 VanDerWaalsContact C-N 3.32Å; A72-R74 PolarHBondContact O-N 3.35Å; R74-H76 VanDerWaalsContact C-N 3.32Å; R74-H76 PolarHBondContact O-CD2 3.09Å; R74-H76 PolarHBondContact O-N 3.13Å; R74-H76 PolarHBondContact O-NE2 3.48Å; R74-H119 PolarHBondContact NH2-NE2 3.15Å
75	D	80.2	Confident	87.7	Confident	10 Å²	10	33.1 Å²	33.1	5%	0.053	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	18.1	173.3	-42	-47.9	0	0	0	114.4	S73 T97 W98 K99 N120	S73-D75 PolarHBondContact O-N 3.06Å; S73-D75 VanDerWaalsContact O-N 3.11Å; D75-T97 CarbonylContact O-C 3.49Å; D75-T97 VanDerWaalsContact O-CA 3.26Å; D75-T97 WeakPolarHBondContact O-CA 3.38Å; D75-W98 WeakPolarHBondContact CA-O 3.49Å; D75-W98 WeakPolarHBondContact CB-O 3.15Å; D75-W98 PolarHBondContact O-N 3.06Å; D75-K99 HydrophobicContact CB-CB 4.09Å; D75-K99 HydrophobicContact CB-CD 4.48Å; D75-K99 HydrophobicContact CB-CG 3.61Å; D75-K99 WeakPolarHBondContact OD2-CD 3.46Å; D75-K99 VanDerWaalsContact OD2-CG 3.28Å; D75-K99 WeakPolarHBondContact OD2-CG 3.28Å; D75-N120 PolarHBondContact N-O 3.38Å; D75-N120 PolarHBondContact OD1-N 2.9Å
76	H	90.8	Very high	87.4	Confident	27 Å²	27	32.5 Å²	32.5	13%	0.125	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144	-166.4	-64	-45.8	0	0	0	115.3	A72 R74 Y78 M96 T97	A72-H76 CarbonylContact C-O 3.51Å; A72-H76 PolarHBondContact N-O 3.41Å; R74-H76 VanDerWaalsContact C-N 3.32Å; R74-H76 PolarHBondContact O-CD2 3.09Å; R74-H76 PolarHBondContact O-N 3.13Å; R74-H76 PolarHBondContact O-NE2 3.48Å; H76-Y78 HydrophobicContact CB-CD2 4.29Å; H76-Y78 HydrophobicContact CB-CE2 3.67Å; H76-Y78 PolarHBondContact CD2-OH 3.34Å; H76-M96 VanDerWaalsContact CA-O 3.29Å; H76-M96 WeakPolarHBondContact CA-O 3.24Å; H76-M96 PolarHBondContact ND1-O 2.62Å; H76-T97 VanDerWaalsContact CE1-CG2 3.43Å; H76-T97 WeakPolarHBondContact CE1-CG2 3.27Å; H76-T97 PolarHBondContact CE1-OG1 2.87Å; H76-T97 PolarHBondContact ND1-OG1 3.26Å; H76-T97 VanDerWaalsContact ND1-OG1 3.1Å
77	I	94.4	Very high	87.1	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.4	157.6	-61.7	177.4	0	0	0	107.1	Y69 I70 K95 M96 I122 L125 V135	Y69-I77 HydrophobicContact CD1-CG2 4.06Å; I70-I77 WeakPolarHBondContact O-CA 3.21Å; I77-K95 CarbonylContact O-C 3.44Å; I77-K95 WeakPolarHBondContact O-CA 3.29Å; I77-M96 HydrophobicContact CB-CB 4.06Å; I77-M96 HydrophobicContact CB-CE 4.07Å; I77-M96 HydrophobicContact CB-SD 4.49Å; I77-M96 HydrophobicContact CD1-CE 3.4Å; I77-M96 HydrophobicContact CD1-SD 3.97Å; I77-M96 HydrophobicContact CG1-CE 3.56Å; I77-M96 HydrophobicContact CG1-SD 4.42Å; I77-M96 PolarHBondContact N-O 3.24Å; I77-M96 PolarHBondContact O-N 3.32Å; I77-I122 HydrophobicContact CD1-CG2 4.13Å; I77-I122 HydrophobicContact CG1-CG1 4.18Å; I77-I122 HydrophobicContact CG1-CG2 4.31Å; I77-L125 HydrophobicContact CD1-CD1 4.04Å; I77-L125 HydrophobicContact CD1-CD2 4.45Å; I77-V135 HydrophobicContact CD1-CG1 3.8Å; I77-V135 HydrophobicContact CD1-CG2 4.05Å
78	Y	93.9	Very high	86.5	Confident	19 Å²	19	33.6 Å²	33.6	8%	0.075	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.3	172.6	-57.5	-91.5	0	0	0	109.4	F41 L56 I70 A72 H76 F92 K95	F41-Y78 HydrophobicContact CE1-CD2 4.36Å; F41-Y78 HydrophobicContact CE1-CG 4.33Å; F41-Y78 AromaticContact CZ-CD1 3.93Å; F41-Y78 HydrophobicContact CZ-CD1 3.93Å; F41-Y78 HydrophobicContact CZ-CD2 4.12Å; F41-Y78 AromaticContact CZ-CG 3.67Å; F41-Y78 HydrophobicContact CZ-CG 3.67Å; L56-Y78 HydrophobicContact CD2-CE2 4.42Å; I70-Y78 PolarHBondContact N-O 3.36Å; I70-Y78 PolarHBondContact O-N 3.13Å; A72-Y78 HydrophobicContact CB-CD2 3.76Å; A72-Y78 HydrophobicContact CB-CE2 3.49Å; A72-Y78 VanDerWaalsContact CB-CE2 3.49Å; H76-Y78 HydrophobicContact CB-CD2 4.29Å; H76-Y78 HydrophobicContact CB-CE2 3.67Å; H76-Y78 PolarHBondContact CD2-OH 3.34Å; Y78-F92 HydrophobicContact CD1-CB 4.04Å; Y78-F92 AromaticContact CD1-CD1 3.76Å; Y78-F92 HydrophobicContact CD1-CD1 3.76Å; Y78-F92 HydrophobicContact CD1-CE1 4.35Å; Y78-F92 AromaticContact CD1-CG 3.88Å; Y78-F92 HydrophobicContact CD1-CG 3.88Å; Y78-F92 HydrophobicContact CE1-CD1 4.07Å; Y78-F92 HydrophobicContact CE1-CE1 4.27Å; Y78-K95 HydrophobicContact CD1-CB 4.28Å; Y78-K95 HydrophobicContact CD1-CD 4.05Å; Y78-K95 HydrophobicContact CD1-CG 3.89Å; Y78-K95 HydrophobicContact CE1-CD 3.47Å; Y78-K95 VanDerWaalsContact CE1-CD 3.47Å; Y78-K95 HydrophobicContact CE1-CG 3.81Å
79	T	94.6	Very high	86.2	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.043	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.4	170.5	69.9	0	0	0	0	110.4	T67 L68 Y69 F92 S93 K94 L153	T67-T79 HydrophobicContact CG2-CG2 4.12Å; L68-T79 CarbonylContact O-C 3.52Å; L68-T79 VanDerWaalsContact O-CA 3.31Å; L68-T79 WeakPolarHBondContact O-CA 3.48Å; Y69-T79 HydrophobicContact CD1-CG2 3.68Å; Y69-T79 HydrophobicContact CE1-CG2 3.62Å; Y69-T79 HydrophobicContact CG-CG2 4.4Å; T79-F92 CarbonylContact O-C 3.54Å; T79-F92 VanDerWaalsContact O-CA 3.3Å; T79-F92 WeakPolarHBondContact O-CA 3.34Å; T79-F92 WeakPolarHBondContact O-CB 3.33Å; T79-S93 PolarHBondContact O-N 3.46Å; T79-K94 PolarHBondContact N-O 2.94Å; T79-K94 VanDerWaalsContact OG1-CB 3.3Å; T79-K94 WeakPolarHBondContact OG1-CB 3.4Å; T79-K94 PolarHBondContact OG1-N 2.86Å; T79-K94 VanDerWaalsContact OG1-N 3.09Å; T79-K94 PolarHBondContact OG1-O 3.1Å; T79-L153 HydrophobicContact CG2-CD1 3.82Å
80	V	94.2	Very high	86	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.6	175.2	175.6	0	0	0	0	107.7	F41 T67 L68 I70 T82 A85 I90 W500	F41-V80 HydrophobicContact CD2-CG2 3.95Å; F41-V80 HydrophobicContact CE2-CG2 4.19Å; T67-V80 WeakPolarHBondContact CA-O 3.03Å; L68-V80 HydrophobicContact CB-CB 4.27Å; L68-V80 HydrophobicContact CD2-CB 4.46Å; L68-V80 PolarHBondContact N-O 3.09Å; L68-V80 PolarHBondContact O-N 2.86Å; I70-V80 HydrophobicContact CD1-CG2 4.06Å; V80-T82 PolarHBondContact O-N 3.5Å; V80-A85 HydrophobicContact CG1-CB 3.83Å; V80-I90 HydrophobicContact CB-CG2 4.43Å; V80-I90 HydrophobicContact CG1-CG2 3.48Å; V80-I90 VanDerWaalsContact CG1-CG2 3.48Å; V80-I90 HydrophobicContact CG2-CG2 4.06Å; V80-W500 HydrophobicContact CG1-CH2 4.18Å
81	D	91.9	Very high	85.8	Confident	46 Å²	46	40 Å²	40	25%	0.246	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	119.1	167.5	174.1	8.9	0	0	0	109.8	E83 T84 A85 S93	D81-E83 VanDerWaalsContact C-N 3.27Å; D81-E83 PolarHBondContact O-N 2.74Å; D81-E83 PolarHBondContact OD1-N 2.85Å; D81-E83 VanDerWaalsContact OD1-N 3.11Å; D81-T84 WeakPolarHBondContact CB-OG1 3.31Å; D81-T84 VanDerWaalsContact CG-OG1 3.28Å; D81-T84 WeakPolarHBondContact OD2-CG2 3.26Å; D81-T84 PolarHBondContact OD2-OG1 3Å; D81-A85 WeakPolarHBondContact O-CB 3.27Å; D81-A85 PolarHBondContact O-N 2.91Å; D81-S93 PolarHBondContact N-OG 2.99Å
82	T	91.4	Very high	85.7	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.018	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-27	-173.3	53.6	0	0	0	0	113.4	R66 L68 V80 D493 W500 K509	R66-T82 WeakPolarHBondContact O-CG2 3.43Å; R66-T82 PolarHBondContact O-N 3.21Å; R66-T82 VanDerWaalsContact O-N 3.1Å; R66-T82 PolarHBondContact O-OG1 2.99Å; L68-T82 HydrophobicContact CB-CG2 4.07Å; V80-T82 PolarHBondContact O-N 3.5Å; T82-D493 WeakPolarHBondContact CB-OD2 3.26Å; T82-W500 HydrophobicContact CG2-CZ2 4.12Å; T82-K509 PolarHBondContact O-NZ 3.34Å
83	E	86.1	Confident	86.3	Confident	86 Å²	86	44.5 Å²	44.5	40%	0.402	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-38.1	-177.8	-66.9	-176.2	-112.3	0	0	112.9	R66 D81 N86	R66-E83 VanDerWaalsContact CD-OE1 3.27Å; R66-E83 WeakPolarHBondContact CD-OE1 3.43Å; R66-E83 IonicContact CZ-OE1 3.84Å; R66-E83 IonicContact CZ-OE2 3.05Å; R66-E83 IonicContact NE-OE1 2.74Å; R66-E83 PolarHBondContact NE-OE1 2.03Å; R66-E83 IonicContact NH1-OE1 2.96Å; R66-E83 PolarHBondContact NH1-OE1 2.65Å; R66-E83 IonicContact NH1-OE2 3.22Å; R66-E83 PolarHBondContact NH1-OE2 3.45Å; R66-E83 VanDerWaalsContact NH1-OE2 3.16Å; R66-E83 IonicContact NH2-OE1 3.38Å; R66-E83 PolarHBondContact NH2-OE1 3.36Å; R66-E83 IonicContact NH2-OE2 2.59Å; R66-E83 PolarHBondContact NH2-OE2 3.1Å; D81-E83 VanDerWaalsContact C-N 3.27Å; D81-E83 PolarHBondContact O-N 2.74Å; D81-E83 PolarHBondContact OD1-N 2.85Å; D81-E83 VanDerWaalsContact OD1-N 3.11Å; E83-N86 PolarHBondContact O-ND2 2.91Å
84	T	84.7	Confident	87.5	Confident	101 Å²	101	49.2 Å²	49.2	62%	0.62	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.2	-174.3	52.7	0	0	0	0	112.6	D81 N86	D81-T84 WeakPolarHBondContact CB-OG1 3.31Å; D81-T84 VanDerWaalsContact CG-OG1 3.28Å; D81-T84 WeakPolarHBondContact OD2-CG2 3.26Å; D81-T84 PolarHBondContact OD2-OG1 3Å; T84-N86 VanDerWaalsContact C-N 3.28Å; T84-N86 PolarHBondContact O-N 3.31Å
85	A	83.1	Confident	88.8	Confident	8 Å²	8	49.1 Å²	49.1	7%	0.066	26%	0.262	C	S	.	.			trans	-77.1	64.6	177.6	0	0	0	0	0	113.6	V80 D81 I90 W500 K509	V80-A85 HydrophobicContact CG1-CB 3.83Å; D81-A85 WeakPolarHBondContact O-CB 3.27Å; D81-A85 PolarHBondContact O-N 2.91Å; A85-I90 HydrophobicContact CB-CG1 4.42Å; A85-I90 HydrophobicContact CB-CG2 3.89Å; A85-W500 HydrophobicContact CB-CH2 3.83Å; A85-W500 HydrophobicContact CB-CZ2 4.39Å; A85-K509 WeakPolarHBondContact O-CD 3.36Å; A85-K509 PolarHBondContact O-NZ 2.91Å
86	N	79.8	Confident	89.4	Confident	113 Å²	113	49 Å²	49	60%	0.604	26%	0.261	S	S	*	.			trans	-117.3	-3.3	-178.6	-58.3	-39.6	0	0	0	114.7	E83 T84 K509	E83-N86 PolarHBondContact O-ND2 2.91Å; T84-N86 VanDerWaalsContact C-N 3.28Å; T84-N86 PolarHBondContact O-N 3.31Å; N86-K509 PolarHBondContact OD1-NZ 3.09Å
87	G	81.8	Confident	89.5	Confident	41 Å²	41	51.1 Å²	51.1	42%	0.423	28%	0.276	S	S	.	.	S	Bend	trans	-77.4	169.1	174.5	0	0	0	0	0	113.1	P39 E89	P39-G87 VanDerWaalsContact CB-O 3.23Å; P39-G87 WeakPolarHBondContact CB-O 3.29Å; P39-G87 WeakPolarHBondContact CG-O 3.17Å; G87-E89 PolarHBondContact O-N 2.97Å
88	D	81.6	Confident	89.5	Confident	130 Å²	130	51.3 Å²	51.3	70%	0.695	28%	0.277	S	S	*	.	S	Bend	trans	-59.9	-31	178.9	-67.2	-23	0	0	0	113.3	P39 K476	P39-D88 WeakPolarHBondContact CA-O 3.26Å; D88-K476 PolarHBondContact O-NZ 2.99Å
89	E	87.9	Confident	89.5	Confident	65 Å²	65	56.6 Å²	56.6	30%	0.304	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.2	171.5	-174.4	172.5	-176.3	0	0	109.8	V42 H44 G87 F91	V42-E89 VanDerWaalsContact CG2-OE1 3.23Å; V42-E89 WeakPolarHBondContact CG2-OE1 3.36Å; H44-E89 WeakPolarHBondContact CB-OE1 3.48Å; H44-E89 IonicContact CE1-OE1 3.55Å; H44-E89 IonicContact CG-OE1 2.87Å; H44-E89 IonicContact ND1-OE1 2.76Å; H44-E89 PolarHBondContact ND1-OE1 2.98Å; G87-E89 PolarHBondContact O-N 2.97Å; E89-F91 HydrophobicContact CB-CE2 4.25Å; E89-F91 HydrophobicContact CB-CZ 4Å; E89-F91 HydrophobicContact CG-CE1 3.98Å; E89-F91 HydrophobicContact CG-CE2 4.43Å; E89-F91 HydrophobicContact CG-CZ 3.93Å
90	I	91.9	Very high	89.6	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.6	177.7	-55.9	176.5	0	0	0	108.1	P39 A40 F41 V80 A85 W500 K509	P39-I90 HydrophobicContact CB-CD1 3.75Å; P39-I90 HydrophobicContact CB-CG1 3.69Å; A40-I90 PolarHBondContact O-N 3.35Å; F41-I90 HydrophobicContact CB-CB 3.92Å; F41-I90 HydrophobicContact CB-CG2 4.09Å; F41-I90 HydrophobicContact CD2-CG2 4.32Å; F41-I90 VanDerWaalsContact CD2-O 3.29Å; F41-I90 WeakPolarHBondContact CD2-O 3.05Å; V80-I90 HydrophobicContact CB-CG2 4.43Å; V80-I90 HydrophobicContact CG1-CG2 3.48Å; V80-I90 VanDerWaalsContact CG1-CG2 3.48Å; V80-I90 HydrophobicContact CG2-CG2 4.06Å; A85-I90 HydrophobicContact CB-CG1 4.42Å; A85-I90 HydrophobicContact CB-CG2 3.89Å; I90-W500 HydrophobicContact CD1-CH2 3.78Å; I90-W500 HydrophobicContact CD1-CZ3 3.43Å; I90-W500 VanDerWaalsContact CD1-CZ3 3.43Å; I90-W500 HydrophobicContact CG2-CH2 4.45Å; I90-W500 HydrophobicContact CG2-CZ3 4.47Å; I90-K509 HydrophobicContact CD1-CB 3.82Å
91	F	91.4	Very high	89.7	Confident	78 Å²	78	64.5 Å²	64.5	34%	0.342	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-103.9	151.2	179.3	-59.1	-76.8	0	0	0	111.6	H44 P46 E89	H44-F91 HydrophobicContact CB-CD1 4.04Å; H44-F91 HydrophobicContact CB-CE1 4.1Å; P46-F91 HydrophobicContact CB-CG 4.45Å; P46-F91 HydrophobicContact CG-CB 3.62Å; P46-F91 HydrophobicContact CG-CD2 4.45Å; P46-F91 HydrophobicContact CG-CG 3.95Å; E89-F91 HydrophobicContact CB-CE2 4.25Å; E89-F91 HydrophobicContact CB-CZ 4Å; E89-F91 HydrophobicContact CG-CE1 3.98Å; E89-F91 HydrophobicContact CG-CE2 4.43Å; E89-F91 HydrophobicContact CG-CZ 3.93Å
92	F	91.2	Very high	89.9	Confident	24 Å²	24	68.3 Å²	68.3	11%	0.105	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-77	144.2	173.3	67.3	-95.7	0	0	0	111.8	F41 G43 H44 K45 Y78 T79 K95	F41-F92 HydrophobicContact CE2-CB 3.89Å; F41-F92 HydrophobicContact CE2-CD1 4.47Å; F41-F92 HydrophobicContact CZ-CB 4.42Å; G43-F92 WeakPolarHBondContact O-CE1 3.12Å; H44-F92 VanDerWaalsContact C-CE1 3.48Å; H44-F92 WeakPolarHBondContact O-CD1 3.47Å; H44-F92 WeakPolarHBondContact O-CE1 3.44Å; H44-F92 PolarHBondContact O-N 3.45Å; K45-F92 HydrophobicContact CB-CE1 3.72Å; K45-F92 HydrophobicContact CB-CE2 4.34Å; K45-F92 HydrophobicContact CB-CZ 3.54Å; K45-F92 HydrophobicContact CD-CE2 4.39Å; K45-F92 HydrophobicContact CD-CZ 4.14Å; K45-F92 HydrophobicContact CG-CE1 4.42Å; K45-F92 HydrophobicContact CG-CE2 4.18Å; K45-F92 HydrophobicContact CG-CZ 3.84Å; Y78-F92 HydrophobicContact CD1-CB 4.04Å; Y78-F92 AromaticContact CD1-CD1 3.76Å; Y78-F92 HydrophobicContact CD1-CD1 3.76Å; Y78-F92 HydrophobicContact CD1-CE1 4.35Å; Y78-F92 AromaticContact CD1-CG 3.88Å; Y78-F92 HydrophobicContact CD1-CG 3.88Å; Y78-F92 HydrophobicContact CE1-CD1 4.07Å; Y78-F92 HydrophobicContact CE1-CE1 4.27Å; T79-F92 CarbonylContact O-C 3.54Å; T79-F92 VanDerWaalsContact O-CA 3.3Å; T79-F92 WeakPolarHBondContact O-CA 3.34Å; T79-F92 WeakPolarHBondContact O-CB 3.33Å; F92-K95 HydrophobicContact CD2-CB 4.04Å; F92-K95 HydrophobicContact CE2-CB 3.83Å; F92-K95 HydrophobicContact CZ-CB 4.38Å
93	S	90.6	Very high	90.2	Very high	70 Å²	70	71.4 Å²	71.4	49%	0.49	37%	0.374	S	S	.	.	S	Bend	trans	-84.5	-47.9	172.4	-47	0	0	0	0	111.2	T79 D81	T79-S93 PolarHBondContact O-N 3.46Å; D81-S93 PolarHBondContact N-OG 2.99Å
94	K	90.9	Very high	90.7	Very high	101 Å²	101	68.7 Å²	68.7	44%	0.439	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	157	176.7	-55.9	176	-179	170.1	0	110.5	T79 D151 L153	T79-K94 PolarHBondContact N-O 2.94Å; T79-K94 VanDerWaalsContact OG1-CB 3.3Å; T79-K94 WeakPolarHBondContact OG1-CB 3.4Å; T79-K94 PolarHBondContact OG1-N 2.86Å; T79-K94 VanDerWaalsContact OG1-N 3.09Å; T79-K94 PolarHBondContact OG1-O 3.1Å; K94-D151 PolarHBondContact NZ-O 2.73Å; K94-L153 HydrophobicContact CB-CD1 3.78Å
95	K	91.8	Very high	91.3	Very high	97 Å²	97	65 Å²	65	42%	0.422	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	118.4	177.9	-175.6	-178.8	72.6	166.4	0	110.3	I77 Y78 F92	I77-K95 CarbonylContact O-C 3.44Å; I77-K95 WeakPolarHBondContact O-CA 3.29Å; Y78-K95 HydrophobicContact CD1-CB 4.28Å; Y78-K95 HydrophobicContact CD1-CD 4.05Å; Y78-K95 HydrophobicContact CD1-CG 3.89Å; Y78-K95 HydrophobicContact CE1-CD 3.47Å; Y78-K95 VanDerWaalsContact CE1-CD 3.47Å; Y78-K95 HydrophobicContact CE1-CG 3.81Å; F92-K95 HydrophobicContact CD2-CB 4.04Å; F92-K95 HydrophobicContact CE2-CB 3.83Å; F92-K95 HydrophobicContact CZ-CB 4.38Å
96	M	92.8	Very high	92	Very high	7 Å²	7	68.2 Å²	68.2	3%	0.034	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.4	168.3	-167.5	-170.7	83.1	0	0	109.8	H76 I77 W98 V135 Y148 L153	H76-M96 VanDerWaalsContact CA-O 3.29Å; H76-M96 WeakPolarHBondContact CA-O 3.24Å; H76-M96 PolarHBondContact ND1-O 2.62Å; I77-M96 HydrophobicContact CB-CB 4.06Å; I77-M96 HydrophobicContact CB-CE 4.07Å; I77-M96 HydrophobicContact CB-SD 4.49Å; I77-M96 HydrophobicContact CD1-CE 3.4Å; I77-M96 HydrophobicContact CD1-SD 3.97Å; I77-M96 HydrophobicContact CG1-CE 3.56Å; I77-M96 HydrophobicContact CG1-SD 4.42Å; I77-M96 PolarHBondContact N-O 3.24Å; I77-M96 PolarHBondContact O-N 3.32Å; M96-W98 HydrophobicContact CE-CB 4.33Å; M96-V135 HydrophobicContact CE-CG1 4.38Å; M96-Y148 HydrophobicContact CE-CE1 4.43Å; M96-Y148 HydrophobicContact CE-CE2 4.2Å; M96-Y148 HydrophobicContact CG-CD1 4.21Å; M96-Y148 HydrophobicContact CG-CE1 3.85Å; M96-Y148 HydrophobicContact SD-CD1 3.54Å; M96-Y148 VanDerWaalsContact SD-CD1 3.54Å; M96-Y148 HydrophobicContact SD-CD2 3.97Å; M96-Y148 HydrophobicContact SD-CE1 3.4Å; M96-Y148 WeakPolarHBondContact SD-CE1 3.32Å; M96-Y148 HydrophobicContact SD-CE2 3.82Å; M96-Y148 HydrophobicContact SD-CG 3.83Å; M96-Y148 VanDerWaalsContact SD-CZ 3.56Å; M96-L153 HydrophobicContact CB-CB 4.1Å; M96-L153 HydrophobicContact CB-CD1 4.16Å; M96-L153 HydrophobicContact CG-CB 4.25Å
97	T	93.4	Very high	92.9	Very high	72 Å²	72	65.9 Å²	65.9	44%	0.442	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.7	173.3	-56	0	0	0	0	110.8	D75 H76 K99	D75-T97 CarbonylContact O-C 3.49Å; D75-T97 VanDerWaalsContact O-CA 3.26Å; D75-T97 WeakPolarHBondContact O-CA 3.38Å; H76-T97 VanDerWaalsContact CE1-CG2 3.43Å; H76-T97 WeakPolarHBondContact CE1-CG2 3.27Å; H76-T97 PolarHBondContact CE1-OG1 2.87Å; H76-T97 PolarHBondContact ND1-OG1 3.26Å; H76-T97 VanDerWaalsContact ND1-OG1 3.1Å; T97-K99 HydrophobicContact CG2-CG 3.88Å
98	W	94.8	Very high	93.6	Very high	6 Å²	6	64 Å²	64	2%	0.023	33%	0.326	C	S	.	.			trans	-139.2	87.7	176.4	178.5	16.4	0	0	0	110.2	D75 M96 N120 I122 V135 S144 R146 Y148	D75-W98 WeakPolarHBondContact CA-O 3.49Å; D75-W98 WeakPolarHBondContact CB-O 3.15Å; D75-W98 PolarHBondContact O-N 3.06Å; M96-W98 HydrophobicContact CE-CB 4.33Å; W98-N120 WeakPolarHBondContact O-CB 3.1Å; W98-N120 PolarHBondContact O-ND2 3.06Å; W98-I122 HydrophobicContact CE3-CD1 3.73Å; W98-I122 HydrophobicContact CZ3-CD1 4.15Å; W98-V135 HydrophobicContact CE3-CG1 4.39Å; W98-V135 HydrophobicContact CZ3-CG1 4.15Å; W98-S144 WeakPolarHBondContact CH2-O 3.45Å; W98-R146 VanDerWaalsContact CD1-CZ 3.49Å; W98-R146 VanDerWaalsContact CD1-NH1 3.34Å; W98-R146 HydrophobicContact CH2-CB 4.39Å; W98-R146 HydrophobicContact CH2-CG 3.97Å; W98-R146 HydrophobicContact CZ2-CG 3.89Å; W98-Y148 HydrophobicContact CE3-CE2 4.4Å
99	K	94.7	Very high	94.4	Very high	130 Å²	130	61.5 Å²	61.5	57%	0.565	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-82.8	149.1	178.4	-48.3	-156.7	164.6	178.6	0	111.7	D75 T97	D75-K99 HydrophobicContact CB-CB 4.09Å; D75-K99 HydrophobicContact CB-CD 4.48Å; D75-K99 HydrophobicContact CB-CG 3.61Å; D75-K99 WeakPolarHBondContact OD2-CD 3.46Å; D75-K99 VanDerWaalsContact OD2-CG 3.28Å; D75-K99 WeakPolarHBondContact OD2-CG 3.28Å; T97-K99 HydrophobicContact CG2-CG 3.88Å
100	S	95.5	Very high	94.8	Very high	18 Å²	18	66.1 Å²	66.1	13%	0.126	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-61.9	146.2	164.9	-69.6	0	0	0	0	111	N139 A140	S100-N139 VanDerWaalsContact CA-OD1 3.28Å; S100-N139 WeakPolarHBondContact CA-OD1 3.19Å; S100-N139 VanDerWaalsContact CB-OD1 3.31Å; S100-N139 WeakPolarHBondContact CB-OD1 3.2Å; S100-N139 VanDerWaalsContact OG-C 3.22Å; S100-N139 VanDerWaalsContact OG-CA 3.31Å; S100-N139 WeakPolarHBondContact OG-CA 3.33Å; S100-N139 PolarHBondContact OG-OD1 2.86Å; S100-A140 PolarHBondContact OG-N 2.81Å
101	R	96.1	Very high	95	Very high	157 Å²	157	71.6 Å²	71.6	59%	0.592	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-70.3	149.3	173.3	-57	175.7	-169.5	171.5	6.1	108.7	A103 D104 V105 E159	R101-A103 PolarHBondContact O-N 3.14Å; R101-D104 WeakPolarHBondContact O-CB 3.42Å; R101-D104 PolarHBondContact O-N 2.92Å; R101-V105 PolarHBondContact O-N 3.25Å; R101-V105 VanDerWaalsContact O-N 3.16Å; R101-E159 IonicContact NH2-OE2 3.88Å
102	Q	96.9	Very high	95.2	Very high	126 Å²	126	70.9 Å²	70.9	59%	0.589	37%	0.369	S	S	*	.	H	α-helix	trans	-57.8	-38.5	-178	-170.8	58	48.1	0	0	112.1	D104 V105 D106	Q102-D104 VanDerWaalsContact C-N 3.35Å; Q102-D104 PolarHBondContact O-N 2.04Å; Q102-V105 WeakPolarHBondContact O-CB 3.45Å; Q102-V105 PolarHBondContact O-N 3.1Å; Q102-V105 VanDerWaalsContact O-N 3.15Å; Q102-D106 PolarHBondContact NE2-OD1 3.03Å; Q102-D106 PolarHBondContact O-N 3.45Å
103	A	97.8	Very high	95.5	Very high	67 Å²	67	72.6 Å²	72.6	55%	0.554	38%	0.376	S	S	*	.	H	α-helix	trans	-59.6	-38.1	175	0	0	0	0	0	114	R101 T107	R101-A103 PolarHBondContact O-N 3.14Å; A103-T107 WeakPolarHBondContact O-CB 3.47Å; A103-T107 PolarHBondContact O-N 2.82Å; A103-T107 PolarHBondContact O-OG1 2.66Å
104	D	97	Very high	95.7	Very high	30 Å²	30	75.7 Å²	75.7	16%	0.16	38%	0.382	C	S	.	.	H	α-helix	trans	-67.9	-41.6	175.4	-68.2	-57.7	0	0	0	110.5	R101 Q102 T107 C108 A140 N142	R101-D104 WeakPolarHBondContact O-CB 3.42Å; R101-D104 PolarHBondContact O-N 2.92Å; Q102-D104 VanDerWaalsContact C-N 3.35Å; Q102-D104 PolarHBondContact O-N 2.04Å; D104-T107 PolarHBondContact O-N 3.36Å; D104-C108 WeakPolarHBondContact O-CB 3.26Å; D104-C108 PolarHBondContact O-N 2.96Å; D104-A140 HydrophobicContact CB-CB 4.49Å; D104-N142 PolarHBondContact OD1-ND2 3.03Å
105	V	97.1	Very high	95.7	Very high	22 Å²	22	78.2 Å²	78.2	13%	0.133	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-46.2	176.4	177.4	0	0	0	0	111	R101 Q102 T107 C108 R109 C118 A140	R101-V105 PolarHBondContact O-N 3.25Å; R101-V105 VanDerWaalsContact O-N 3.16Å; Q102-V105 WeakPolarHBondContact O-CB 3.45Å; Q102-V105 PolarHBondContact O-N 3.1Å; Q102-V105 VanDerWaalsContact O-N 3.15Å; V105-T107 VanDerWaalsContact C-N 3.34Å; V105-T107 PolarHBondContact O-N 3Å; V105-C108 WeakPolarHBondContact O-CB 3.43Å; V105-C108 PolarHBondContact O-N 2.85Å; V105-R109 VanDerWaalsContact O-CG 3.28Å; V105-R109 WeakPolarHBondContact O-CG 3.48Å; V105-R109 PolarHBondContact O-N 3.15Å; V105-C118 HydrophobicContact CG1-CB 4.3Å; V105-A140 HydrophobicContact CG2-CB 4.27Å
106	D	97.8	Very high	95.6	Very high	76 Å²	76	78.5 Å²	78.5	41%	0.406	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-39.3	179.4	-62.8	-23.1	0	0	0	111.2	Q102 R109 M110	Q102-D106 PolarHBondContact NE2-OD1 3.03Å; Q102-D106 PolarHBondContact O-N 3.45Å; D106-R109 WeakPolarHBondContact O-CB 3.44Å; D106-R109 PolarHBondContact O-N 2.8Å; D106-M110 WeakPolarHBondContact O-CB 3.3Å; D106-M110 PolarHBondContact O-N 3.12Å
107	T	97.9	Very high	95.6	Very high	64 Å²	64	79.9 Å²	79.9	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-63.6	-42.2	174.1	-59.1	0	0	0	0	111.4	A103 D104 V105 R109 M110 K111	A103-T107 WeakPolarHBondContact O-CB 3.47Å; A103-T107 PolarHBondContact O-N 2.82Å; A103-T107 PolarHBondContact O-OG1 2.66Å; D104-T107 PolarHBondContact O-N 3.36Å; V105-T107 VanDerWaalsContact C-N 3.34Å; V105-T107 PolarHBondContact O-N 3Å; T107-R109 VanDerWaalsContact C-N 3.35Å; T107-R109 PolarHBondContact O-N 2.97Å; T107-M110 PolarHBondContact O-N 2.78Å; T107-K111 HydrophobicContact CG2-CD 4.47Å; T107-K111 WeakPolarHBondContact O-CG 3.1Å; T107-K111 PolarHBondContact O-N 3.11Å; T107-K111 VanDerWaalsContact O-N 3.1Å
108	C	97.4	Very high	95.6	Very high	3 Å²	3	76.4 Å²	76.4	2%	0.02	39%	0.385	C	S	.	.	H	α-helix	trans	-61.2	-42.2	175.4	178.1	0	0	0	0	112.2	D104 V105 K111 K113 C118 A140 F141	D104-C108 WeakPolarHBondContact O-CB 3.26Å; D104-C108 PolarHBondContact O-N 2.96Å; V105-C108 WeakPolarHBondContact O-CB 3.43Å; V105-C108 PolarHBondContact O-N 2.85Å; C108-K111 PolarHBondContact O-N 3.4Å; C108-K113 PolarHBondContact O-N 3.24Å; C108-C118 VanDerWaalsContact C-SG 3.57Å; C108-C118 HydrophobicContact CB-CB 3.63Å; C108-C118 WeakPolarHBondContact CB-SG 3.34Å; C108-C118 VanDerWaalsContact SG-CA 3.52Å; C108-C118 WeakPolarHBondContact SG-CB 3.1Å; C108-C118 CovalentContact SG-SG 2.04Å; C108-C118 PolarHBondContact SG-SG 2.78Å; C108-A140 HydrophobicContact CB-CB 4.05Å; C108-A140 VanDerWaalsContact CB-O 3.31Å; C108-A140 WeakPolarHBondContact CB-O 3.31Å; C108-F141 WeakPolarHBondContact SG-CD2 3.32Å
109	R	97.4	Very high	95.6	Very high	77 Å²	77	78 Å²	78	29%	0.291	39%	0.392	S	S	.	.	H	α-helix	trans	-60.1	-47.8	173.5	-68.7	-82	163.5	-101.3	-22.8	112	V105 D106 T107 K111 G112 K113 H114 K115 C118	V105-R109 VanDerWaalsContact O-CG 3.28Å; V105-R109 WeakPolarHBondContact O-CG 3.48Å; V105-R109 PolarHBondContact O-N 3.15Å; D106-R109 WeakPolarHBondContact O-CB 3.44Å; D106-R109 PolarHBondContact O-N 2.8Å; T107-R109 VanDerWaalsContact C-N 3.35Å; T107-R109 PolarHBondContact O-N 2.97Å; R109-K111 PolarHBondContact O-N 2.82Å; R109-G112 WeakPolarHBondContact O-CA 3.41Å; R109-G112 PolarHBondContact O-N 3.02Å; R109-K113 PolarHBondContact NH1-O 2.96Å; R109-H114 PolarHBondContact NH1-O 3.11Å; R109-K115 VanDerWaalsContact NH1-N 3.12Å; R109-K115 VanDerWaalsContact NH2-C 3.25Å; R109-K115 PolarHBondContact NH2-O 3.22Å; R109-C118 PolarHBondContact NH1-SG 2.81Å; R109-C118 VanDerWaalsContact NH1-SG 3.38Å
110	M	97	Very high	95.7	Very high	162 Å²	162	71.8 Å²	71.8	80%	0.798	37%	0.365	S	S	*	.	H	α-helix	trans	-61.2	-31.3	-177.9	-167.6	-174.6	-58.5	0	0	111.5	D106 T107 G112	D106-M110 WeakPolarHBondContact O-CB 3.3Å; D106-M110 PolarHBondContact O-N 3.12Å; T107-M110 PolarHBondContact O-N 2.78Å; M110-G112 PolarHBondContact O-N 2.98Å
111	K	95.6	Very high	95.7	Very high	117 Å²	117	71.8 Å²	71.8	51%	0.509	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	6.4	172.4	-66.6	176.5	-179.9	177.5	0	114.4	T107 C108 R109 F191	T107-K111 HydrophobicContact CG2-CD 4.47Å; T107-K111 WeakPolarHBondContact O-CG 3.1Å; T107-K111 PolarHBondContact O-N 3.11Å; T107-K111 VanDerWaalsContact O-N 3.1Å; C108-K111 PolarHBondContact O-N 3.4Å; R109-K111 PolarHBondContact O-N 2.82Å; K111-F191 HydrophobicContact CB-CE1 4.27Å; K111-F191 HydrophobicContact CB-CE2 4.23Å; K111-F191 HydrophobicContact CB-CZ 3.68Å; K111-F191 HydrophobicContact CD-CD2 4.14Å; K111-F191 HydrophobicContact CD-CE1 4.46Å; K111-F191 HydrophobicContact CD-CE2 3.78Å; K111-F191 HydrophobicContact CD-CZ 3.96Å; K111-F191 HydrophobicContact CG-CZ 4.43Å
112	G	95.9	Very high	95.7	Very high	63 Å²	63	64.3 Å²	64.3	65%	0.649	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	14	171.3	0	0	0	0	0	116.4	R109 M110	R109-G112 WeakPolarHBondContact O-CA 3.41Å; R109-G112 PolarHBondContact O-N 3.02Å; M110-G112 PolarHBondContact O-N 2.98Å
113	K	96.6	Very high	95.7	Very high	59 Å²	59	59.6 Å²	59.6	26%	0.257	31%	0.312	S	S	.	.			trans	-82.9	153	179.8	-65.9	-67.1	-176.8	171.1	0	112.9	C108 R109 F141 F191	C108-K113 PolarHBondContact O-N 3.24Å; R109-K113 PolarHBondContact NH1-O 2.96Å; K113-F141 HydrophobicContact CB-CE2 4.29Å; K113-F141 HydrophobicContact CD-CD1 4.36Å; K113-F141 HydrophobicContact CD-CE1 3.79Å; K113-F141 HydrophobicContact CD-CE2 4.05Å; K113-F141 HydrophobicContact CD-CZ 3.61Å; K113-F141 HydrophobicContact CG-CD1 4.35Å; K113-F141 HydrophobicContact CG-CD2 4.15Å; K113-F141 HydrophobicContact CG-CE1 4.23Å; K113-F141 HydrophobicContact CG-CE2 3.99Å; K113-F141 HydrophobicContact CG-CG 4.34Å; K113-F141 HydrophobicContact CG-CZ 4.04Å; K113-F191 HydrophobicContact CD-CZ 4.3Å; K113-F191 VanDerWaalsContact CE-CZ 3.48Å; K113-F191 HydrophobicContact CG-CE2 4.33Å; K113-F191 HydrophobicContact CG-CZ 3.86Å
114	H	94.8	Very high	95.7	Very high	136 Å²	136	56.6 Å²	56.6	63%	0.63	29%	0.287	S	S	*	.			trans	-76.3	160	-173.7	-78.4	-69.9	0	0	0	114.8	R109 D116 E117 C118	R109-H114 PolarHBondContact NH1-O 3.11Å; H114-D116 PolarHBondContact O-N 3.33Å; H114-E117 HydrophobicContact CB-CG 4.01Å; H114-E117 IonicContact CD2-OE2 3.59Å; H114-E117 PolarHBondContact N-OE2 3.32Å; H114-E117 PolarHBondContact O-N 3.12Å; H114-C118 PolarHBondContact O-N 3.4Å
115	K	91.6	Very high	95.7	Very high	154 Å²	154	55.4 Å²	55.4	67%	0.67	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-50.4	-49.8	-171.4	-161.7	169.3	174.2	-177.4	0	112.3	R109 E117	R109-K115 VanDerWaalsContact NH1-N 3.12Å; R109-K115 VanDerWaalsContact NH2-C 3.25Å; R109-K115 PolarHBondContact NH2-O 3.22Å; K115-E117 VanDerWaalsContact C-N 3.25Å; K115-E117 PolarHBondContact O-N 3.25Å
116	D	89.5	Confident	95.6	Very high	103 Å²	103	55.8 Å²	55.8	55%	0.551	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-79.1	-9.9	-173.5	-50.1	-50.6	0	0	0	113	H114 F121	H114-D116 PolarHBondContact O-N 3.33Å; D116-F121 VanDerWaalsContact O-CZ 3.26Å; D116-F121 WeakPolarHBondContact O-CZ 3.35Å
117	E	92.2	Very high	95.4	Very high	35 Å²	35	55.7 Å²	55.7	16%	0.164	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-91	-25.7	-179.4	-59	-177.3	143.6	0	0	112.7	H114 K115 H119 F141 K171	H114-E117 HydrophobicContact CB-CG 4.01Å; H114-E117 IonicContact CD2-OE2 3.59Å; H114-E117 PolarHBondContact N-OE2 3.32Å; H114-E117 PolarHBondContact O-N 3.12Å; K115-E117 VanDerWaalsContact C-N 3.25Å; K115-E117 PolarHBondContact O-N 3.25Å; E117-H119 VanDerWaalsContact C-N 3.27Å; E117-H119 PolarHBondContact O-N 3.09Å; E117-F141 HydrophobicContact CB-CE2 3.88Å; E117-F141 HydrophobicContact CB-CZ 4.4Å; E117-K171 IonicContact OE1-NZ 3.79Å; E117-K171 PolarHBondContact OE1-NZ 2.91Å
118	C	95.1	Very high	95.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-87.3	60.6	-179.8	-57.2	0	0	0	0	112.3	V105 C108 R109 H114 A140	V105-C118 HydrophobicContact CG1-CB 4.3Å; C108-C118 VanDerWaalsContact C-SG 3.57Å; C108-C118 HydrophobicContact CB-CB 3.63Å; C108-C118 WeakPolarHBondContact CB-SG 3.34Å; C108-C118 VanDerWaalsContact SG-CA 3.52Å; C108-C118 WeakPolarHBondContact SG-CB 3.1Å; C108-C118 CovalentContact SG-SG 2.04Å; C108-C118 PolarHBondContact SG-SG 2.78Å; R109-C118 PolarHBondContact NH1-SG 2.81Å; R109-C118 VanDerWaalsContact NH1-SG 3.38Å; H114-C118 PolarHBondContact O-N 3.4Å; C118-A140 HydrophobicContact CB-CB 4.14Å
119	H	94.4	Very high	94.6	Very high	39 Å²	39	60.2 Å²	60.2	18%	0.181	30%	0.298	C	S	.	.	S	Bend	trans	-128.7	172.8	173.2	-71.7	-71.9	0	0	0	110.4	R74 E117 F121 T138 A140	R74-H119 PolarHBondContact NH2-NE2 3.15Å; E117-H119 VanDerWaalsContact C-N 3.27Å; E117-H119 PolarHBondContact O-N 3.09Å; H119-F121 HydrophobicContact CB-CD2 4.16Å; H119-F121 HydrophobicContact CB-CE2 3.69Å; H119-F121 HydrophobicContact CB-CZ 4.39Å; H119-F121 WeakPolarHBondContact O-CD2 3.28Å; H119-F121 PolarHBondContact O-N 3.26Å; H119-T138 PolarHBondContact O-OG1 2.93Å; H119-T138 VanDerWaalsContact O-OG1 3.09Å; H119-A140 PolarHBondContact O-N 2.92Å
120	N	96	Very high	94.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.			trans	-91.1	93.5	174.7	-169.9	22.1	0	0	0	111.7	S73 D75 W98 G137 T138 N139	S73-N120 CarbonylContact O-C 3.58Å; D75-N120 PolarHBondContact N-O 3.38Å; D75-N120 PolarHBondContact OD1-N 2.9Å; W98-N120 WeakPolarHBondContact O-CB 3.1Å; W98-N120 PolarHBondContact O-ND2 3.06Å; N120-G137 VanDerWaalsContact OD1-C 3.29Å; N120-G137 VanDerWaalsContact OD1-CA 3.22Å; N120-G137 WeakPolarHBondContact OD1-CA 3.21Å; N120-T138 PolarHBondContact OD1-N 2.69Å; N120-N139 VanDerWaalsContact OD1-CA 3.31Å; N120-N139 WeakPolarHBondContact OD1-CA 3.13Å; N120-N139 PolarHBondContact OD1-N 3.04Å
121	F	95.9	Very high	93.8	Very high	17 Å²	17	57.3 Å²	57.3	8%	0.075	30%	0.304	C	S	.	.			trans	-85.8	118	176.3	-64.4	-109.4	0	0	0	109.4	Q59 D116 H119 K123 G137 T138 A170	Q59-F121 HydrophobicContact CG-CB 4.39Å; Q59-F121 HydrophobicContact CG-CD1 4.42Å; D116-F121 VanDerWaalsContact O-CZ 3.26Å; D116-F121 WeakPolarHBondContact O-CZ 3.35Å; H119-F121 HydrophobicContact CB-CD2 4.16Å; H119-F121 HydrophobicContact CB-CE2 3.69Å; H119-F121 HydrophobicContact CB-CZ 4.39Å; H119-F121 WeakPolarHBondContact O-CD2 3.28Å; H119-F121 PolarHBondContact O-N 3.26Å; F121-K123 PolarHBondContact O-N 3.33Å; F121-G137 CarbonylContact O-C 3.59Å; F121-G137 WeakPolarHBondContact O-CA 3.23Å; F121-T138 HydrophobicContact CB-CG2 3.87Å; F121-T138 WeakPolarHBondContact CB-OG1 3.44Å; F121-T138 PolarHBondContact N-OG1 3.33Å; F121-T138 PolarHBondContact O-N 2.96Å; F121-A170 HydrophobicContact CB-CB 3.68Å; F121-A170 HydrophobicContact CD1-CB 3.3Å; F121-A170 HydrophobicContact CD2-CB 3.81Å; F121-A170 HydrophobicContact CE1-CB 3.84Å; F121-A170 HydrophobicContact CE2-CB 4.27Å; F121-A170 HydrophobicContact CG-CB 3.34Å; F121-A170 HydrophobicContact CZ-CB 4.31Å
122	I	96.6	Very high	93.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	119	176.8	-54	-53.9	0	0	0	109.7	Q59 A71 I77 W98 V135	Q59-I122 WeakPolarHBondContact CB-O 3.49Å; Q59-I122 WeakPolarHBondContact CG-O 3.13Å; A71-I122 HydrophobicContact CB-CB 4.08Å; A71-I122 HydrophobicContact CB-CG2 3.93Å; I77-I122 HydrophobicContact CD1-CG2 4.13Å; I77-I122 HydrophobicContact CG1-CG1 4.18Å; I77-I122 HydrophobicContact CG1-CG2 4.31Å; W98-I122 HydrophobicContact CE3-CD1 3.73Å; W98-I122 HydrophobicContact CZ3-CD1 4.15Å; I122-V135 HydrophobicContact CD1-CG1 4.1Å; I122-V135 HydrophobicContact CG2-CG1 3.65Å
123	K	96.4	Very high	93.7	Very high	27 Å²	27	49.5 Å²	49.5	12%	0.117	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	-12.9	-174.5	-65.9	-67.2	-63.3	-171.5	0	113.6	Q59 F121 C136 T138 P167 A170 H172 N174	Q59-K123 HydrophobicContact CB-CD 4.28Å; Q59-K123 HydrophobicContact CG-CD 4.13Å; Q59-K123 VanDerWaalsContact OE1-CD 3.31Å; F121-K123 PolarHBondContact O-N 3.33Å; K123-C136 PolarHBondContact N-O 3.35Å; K123-T138 HydrophobicContact CG-CG2 3.87Å; K123-P167 HydrophobicContact CB-CG 4.06Å; K123-P167 HydrophobicContact CG-CG 3.94Å; K123-A170 WeakPolarHBondContact CE-O 3.32Å; K123-A170 PolarHBondContact NZ-O 2.89Å; K123-H172 WeakPolarHBondContact CE-O 3.47Å; K123-H172 PolarHBondContact NZ-O 2.05Å; K123-H172 VanDerWaalsContact NZ-O 3.13Å; K123-N174 WeakPolarHBondContact CE-OD1 3.48Å; K123-N174 PolarHBondContact O-ND2 2.84Å
124	V	97.3	Very high	93.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.6	173.5	179.9	0	0	0	0	107.8	L126 F134 V135 C136 C166 A176	V124-L126 HydrophobicContact CG1-CD1 3.91Å; V124-L126 HydrophobicContact CG1-CG 3.95Å; V124-F134 HydrophobicContact CG1-CD1 4.36Å; V124-V135 WeakPolarHBondContact O-CA 3.21Å; V124-C136 HydrophobicContact CB-CB 3.77Å; V124-C136 HydrophobicContact CG2-CB 4.04Å; V124-C136 PolarHBondContact N-O 3.32Å; V124-C136 VanDerWaalsContact N-O 3.14Å; V124-C136 PolarHBondContact O-N 2.93Å; V124-C166 HydrophobicContact CG2-CB 4.4Å; V124-A176 HydrophobicContact CB-CB 4.35Å; V124-A176 HydrophobicContact CG1-CB 3.63Å; V124-A176 HydrophobicContact CG2-CB 3.82Å
125	L	96.6	Very high	93.9	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	109	172.5	170.2	62.8	0	0	0	107	L60 M64 Y69 I77 L133 V135	L60-L125 HydrophobicContact CD1-CB 4.26Å; M64-L125 HydrophobicContact CE-CD1 4.43Å; M64-L125 HydrophobicContact CE-CD2 4.37Å; M64-L125 HydrophobicContact CE-CG 4.27Å; Y69-L125 HydrophobicContact CD1-CD2 4.41Å; Y69-L125 HydrophobicContact CG-CD2 4.24Å; I77-L125 HydrophobicContact CD1-CD1 4.04Å; I77-L125 HydrophobicContact CD1-CD2 4.45Å; L125-L133 HydrophobicContact CD1-CB 4.28Å; L125-L133 HydrophobicContact CD1-CD1 4.19Å; L125-L133 HydrophobicContact CD1-CD2 4.35Å; L125-L133 HydrophobicContact CD1-CG 4.49Å; L125-V135 HydrophobicContact CD1-CG2 3.78Å
126	L	95.9	Very high	94.2	Very high	30 Å²	30	33 Å²	33	16%	0.157	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.5	-176.3	-61.1	173.2	0	0	0	109.9	V124 Q128 L133 F134 A176 F178 L183	V124-L126 HydrophobicContact CG1-CD1 3.91Å; V124-L126 HydrophobicContact CG1-CG 3.95Å; L126-Q128 PolarHBondContact O-N 2.86Å; L126-L133 CarbonylContact O-C 3.37Å; L126-L133 WeakPolarHBondContact O-CA 3.48Å; L126-F134 PolarHBondContact N-O 2.78Å; L126-F134 PolarHBondContact O-N 2.9Å; L126-A176 HydrophobicContact CD1-CB 3.89Å; L126-F178 HydrophobicContact CB-CD2 3.92Å; L126-F178 HydrophobicContact CB-CE2 4.24Å; L126-F178 HydrophobicContact CD1-CD2 3.73Å; L126-F178 HydrophobicContact CD1-CE2 4.05Å; L126-F178 HydrophobicContact CG-CD2 4.49Å; L126-L183 HydrophobicContact CD1-CD1 3.82Å
127	Q	94.1	Very high	94.5	Very high	75 Å²	75	28.1 Å²	28.1	35%	0.35	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	116.2	164.8	-172.5	170.1	8.6	0	0	108.8	M64 N129 M150	M64-Q127 HydrophobicContact SD-CB 3.78Å; Q127-N129 WeakPolarHBondContact CG-O 3.42Å; Q127-N129 PolarHBondContact NE2-O 3.37Å; Q127-N129 VanDerWaalsContact NE2-O 3.13Å; Q127-M150 HydrophobicContact CG-CE 4.45Å; Q127-M150 HydrophobicContact CG-SD 4.02Å
128	Q	89.9	Confident	94.8	Very high	78 Å²	78	26.5 Å²	26.5	36%	0.364	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-38.9	-179.8	-175.9	176.7	-5.1	0	0	111.3	L126 T132 F134 T147 F178	L126-Q128 PolarHBondContact O-N 2.86Å; Q128-T132 PolarHBondContact N-O 2.97Å; Q128-F134 HydrophobicContact CB-CB 4.13Å; Q128-T147 PolarHBondContact OE1-OG1 2.55Å; Q128-F178 HydrophobicContact CB-CE2 4.32Å; Q128-F178 HydrophobicContact CG-CE1 4.4Å; Q128-F178 HydrophobicContact CG-CE2 4.3Å; Q128-F178 HydrophobicContact CG-CZ 4.07Å
129	N	87.4	Confident	94.9	Very high	84 Å²	84	26.7 Å²	26.7	45%	0.449	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	-170.6	172.9	62.3	29.7	0	0	0	109.3	Q127 D131 T132	Q127-N129 WeakPolarHBondContact CG-O 3.42Å; Q127-N129 PolarHBondContact NE2-O 3.37Å; Q127-N129 VanDerWaalsContact NE2-O 3.13Å; N129-D131 PolarHBondContact O-N 2.73Å; N129-D131 VanDerWaalsContact O-N 3.08Å; N129-D131 PolarHBondContact OD1-N 3.33Å; N129-D131 VanDerWaalsContact OD1-N 3.07Å; N129-T132 PolarHBondContact ND2-OG1 3.11Å; N129-T132 WeakPolarHBondContact OD1-CB 3.34Å; N129-T132 PolarHBondContact OD1-N 2.87Å; N129-T132 PolarHBondContact OD1-OG1 2.64Å
130	G	86.8	Confident	95	Very high	52 Å²	52	25 Å²	25	54%	0.536	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.9	-177.4	0	0	0	0	0	115.2
131	D	91.1	Very high	95.1	Very high	125 Å²	125	25.4 Å²	25.4	67%	0.668	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-3.9	-168.1	-58.1	-36.3	0	0	0	114	N129 M150	N129-D131 PolarHBondContact O-N 2.73Å; N129-D131 VanDerWaalsContact O-N 3.08Å; N129-D131 PolarHBondContact OD1-N 3.33Å; N129-D131 VanDerWaalsContact OD1-N 3.07Å; D131-M150 PolarHBondContact O-N 2.78Å
132	T	94.6	Very high	95.1	Very high	16 Å²	16	28.4 Å²	28.4	10%	0.098	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.3	-172.9	65.4	0	0	0	0	114	Q128 N129 T147 Y148 L156	Q128-T132 PolarHBondContact N-O 2.97Å; N129-T132 PolarHBondContact ND2-OG1 3.11Å; N129-T132 WeakPolarHBondContact OD1-CB 3.34Å; N129-T132 PolarHBondContact OD1-N 2.87Å; N129-T132 PolarHBondContact OD1-OG1 2.64Å; T132-T147 HydrophobicContact CG2-CG2 4.18Å; T132-Y148 CarbonylContact C-O 3.46Å; T132-Y148 VanDerWaalsContact CA-O 3.25Å; T132-Y148 WeakPolarHBondContact CA-O 3.48Å; T132-L156 HydrophobicContact CG2-CD1 3.82Å
133	L	95.7	Very high	95.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.6	172.8	-59.3	172.5	0	0	0	109.3	M64 Y69 L125 L126 V135 T147 Y148 M150 L153	M64-L133 HydrophobicContact CE-CD2 3.61Å; M64-L133 HydrophobicContact SD-CD2 3.79Å; Y69-L133 HydrophobicContact CD1-CD1 4.18Å; Y69-L133 HydrophobicContact CE1-CD1 3.55Å; L125-L133 HydrophobicContact CD1-CB 4.28Å; L125-L133 HydrophobicContact CD1-CD1 4.19Å; L125-L133 HydrophobicContact CD1-CD2 4.35Å; L125-L133 HydrophobicContact CD1-CG 4.49Å; L126-L133 CarbonylContact O-C 3.37Å; L126-L133 WeakPolarHBondContact O-CA 3.48Å; L133-V135 HydrophobicContact CB-CG2 4.11Å; L133-T147 CarbonylContact O-C 3.56Å; L133-T147 VanDerWaalsContact O-CA 3.29Å; L133-T147 WeakPolarHBondContact O-CA 3.42Å; L133-Y148 PolarHBondContact N-O 3.27Å; L133-Y148 PolarHBondContact O-N 3.39Å; L133-M150 HydrophobicContact CD1-CG 4.18Å; L133-M150 HydrophobicContact CD2-CE 4.06Å; L133-M150 HydrophobicContact CD2-CG 3.66Å; L133-M150 HydrophobicContact CD2-SD 4.09Å; L133-M150 HydrophobicContact CG-CG 3.51Å; L133-L153 HydrophobicContact CD1-CD2 4.04Å
134	F	97	Very high	95.3	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.2	166.7	-174.9	-100.8	0	0	0	109	V124 L126 Q128 C136 C145 I160 F178 L183 L202	V124-F134 HydrophobicContact CG1-CD1 4.36Å; L126-F134 PolarHBondContact N-O 2.78Å; L126-F134 PolarHBondContact O-N 2.9Å; Q128-F134 HydrophobicContact CB-CB 4.13Å; F134-C136 WeakPolarHBondContact CE1-SG 3.39Å; F134-C145 HydrophobicContact CE1-CB 4.22Å; F134-C145 HydrophobicContact CE2-CB 4.01Å; F134-C145 HydrophobicContact CZ-CB 3.56Å; F134-I160 HydrophobicContact CE2-CD1 3.97Å; F134-I160 HydrophobicContact CZ-CD1 4.14Å; F134-F178 HydrophobicContact CB-CE2 3.61Å; F134-F178 HydrophobicContact CB-CZ 4.13Å; F134-F178 AromaticContact CD1-CE2 3.77Å; F134-F178 HydrophobicContact CD1-CE2 3.77Å; F134-F178 HydrophobicContact CD1-CZ 4.06Å; F134-F178 HydrophobicContact CD2-CZ 4.33Å; F134-F178 AromaticContact CG-CE2 3.74Å; F134-F178 HydrophobicContact CG-CE2 3.74Å; F134-F178 AromaticContact CG-CZ 3.92Å; F134-F178 HydrophobicContact CG-CZ 3.92Å; F134-L183 HydrophobicContact CD1-CD2 4.42Å; F134-L183 HydrophobicContact CE1-CD1 4.4Å; F134-L183 HydrophobicContact CE1-CD2 3.54Å; F134-L183 HydrophobicContact CZ-CD2 3.92Å; F134-L202 HydrophobicContact CE2-CD1 3.89Å; F134-L202 HydrophobicContact CZ-CD1 3.92Å
135	V	97.3	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.9	-172	-174.7	0	0	0	0	109.6	I77 M96 W98 I122 V124 L125 L133 C145 R146 Y148	I77-V135 HydrophobicContact CD1-CG1 3.8Å; I77-V135 HydrophobicContact CD1-CG2 4.05Å; M96-V135 HydrophobicContact CE-CG1 4.38Å; W98-V135 HydrophobicContact CE3-CG1 4.39Å; W98-V135 HydrophobicContact CZ3-CG1 4.15Å; I122-V135 HydrophobicContact CD1-CG1 4.1Å; I122-V135 HydrophobicContact CG2-CG1 3.65Å; V124-V135 WeakPolarHBondContact O-CA 3.21Å; L125-V135 HydrophobicContact CD1-CG2 3.78Å; L133-V135 HydrophobicContact CB-CG2 4.11Å; V135-C145 CarbonylContact O-C 3.55Å; V135-C145 VanDerWaalsContact O-CA 3.25Å; V135-C145 WeakPolarHBondContact O-CA 3.09Å; V135-R146 PolarHBondContact N-O 3.29Å; V135-R146 PolarHBondContact O-N 2.93Å; V135-Y148 HydrophobicContact CB-CD2 3.91Å; V135-Y148 HydrophobicContact CB-CE2 4.05Å; V135-Y148 HydrophobicContact CG2-CD2 3.69Å; V135-Y148 HydrophobicContact CG2-CE2 4.27Å
136	C	97.6	Very high	95.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.1	169.5	-46.5	0	0	0	0	111.5	K123 V124 F134 S144 C145 C166	K123-C136 PolarHBondContact N-O 3.35Å; V124-C136 HydrophobicContact CB-CB 3.77Å; V124-C136 HydrophobicContact CG2-CB 4.04Å; V124-C136 PolarHBondContact N-O 3.32Å; V124-C136 VanDerWaalsContact N-O 3.14Å; V124-C136 PolarHBondContact O-N 2.93Å; F134-C136 WeakPolarHBondContact CE1-SG 3.39Å; C136-S144 CarbonylContact C-O 3.31Å; C136-S144 WeakPolarHBondContact CA-O 3.31Å; C136-S144 VanDerWaalsContact CB-O 3.3Å; C136-S144 WeakPolarHBondContact CB-O 3.41Å; C136-C145 HydrophobicContact CB-CB 3.98Å; C136-C145 WeakPolarHBondContact CB-SG 3.39Å; C136-C145 WeakPolarHBondContact SG-CB 3.43Å; C136-C145 CovalentContact SG-SG 2.04Å; C136-C145 PolarHBondContact SG-SG 2.9Å; C136-C166 HydrophobicContact CB-CB 3.52Å
137	G	97.4	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	159.9	174.4	0	0	0	0	0	112.8	N120 F121 N139 P143 S144 C166	N120-G137 VanDerWaalsContact OD1-C 3.29Å; N120-G137 VanDerWaalsContact OD1-CA 3.22Å; N120-G137 WeakPolarHBondContact OD1-CA 3.21Å; F121-G137 CarbonylContact O-C 3.59Å; F121-G137 WeakPolarHBondContact O-CA 3.23Å; G137-N139 PolarHBondContact O-N 2.8Å; G137-P143 WeakPolarHBondContact O-CA 3.48Å; G137-S144 PolarHBondContact N-O 2.87Å; G137-S144 PolarHBondContact O-N 2.87Å; G137-C166 PolarHBondContact O-SG 2.82Å
138	T	97.2	Very high	95.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	15%	0.15	C	C	.	.			trans	-61.8	-25.7	178.9	59.7	0	0	0	0	112.4	H119 N120 F121 K123 A140 F141 N142 P167 Y168 A170	H119-T138 PolarHBondContact O-OG1 2.93Å; H119-T138 VanDerWaalsContact O-OG1 3.09Å; N120-T138 PolarHBondContact OD1-N 2.69Å; F121-T138 HydrophobicContact CB-CG2 3.87Å; F121-T138 WeakPolarHBondContact CB-OG1 3.44Å; F121-T138 PolarHBondContact N-OG1 3.33Å; F121-T138 PolarHBondContact O-N 2.96Å; K123-T138 HydrophobicContact CG-CG2 3.87Å; T138-A140 VanDerWaalsContact C-N 3.35Å; T138-A140 PolarHBondContact O-N 2.78Å; T138-F141 PolarHBondContact O-N 2.75Å; T138-F141 VanDerWaalsContact O-N 3.11Å; T138-N142 CarbonylContact O-C 3.54Å; T138-N142 PolarHBondContact O-N 2.69Å; T138-P167 WeakPolarHBondContact CG2-O 3.29Å; T138-Y168 WeakPolarHBondContact CB-O 3.41Å; T138-A170 HydrophobicContact CG2-CB 4.35Å
139	N	97.2	Very high	95.7	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.4	57.6	179	-179.1	47.6	0	0	0	112.7	S100 N120 G137 F141 N142	S100-N139 VanDerWaalsContact CA-OD1 3.28Å; S100-N139 WeakPolarHBondContact CA-OD1 3.19Å; S100-N139 VanDerWaalsContact CB-OD1 3.31Å; S100-N139 WeakPolarHBondContact CB-OD1 3.2Å; S100-N139 VanDerWaalsContact OG-C 3.22Å; S100-N139 VanDerWaalsContact OG-CA 3.31Å; S100-N139 WeakPolarHBondContact OG-CA 3.33Å; S100-N139 PolarHBondContact OG-OD1 2.86Å; N120-N139 VanDerWaalsContact OD1-CA 3.31Å; N120-N139 WeakPolarHBondContact OD1-CA 3.13Å; N120-N139 PolarHBondContact OD1-N 3.04Å; G137-N139 PolarHBondContact O-N 2.8Å; N139-F141 PolarHBondContact O-N 2.74Å; N139-N142 VanDerWaalsContact CB-O 3.32Å; N139-N142 WeakPolarHBondContact CB-O 3.23Å; N139-N142 PolarHBondContact ND2-O 2.65Å; N139-N142 VanDerWaalsContact ND2-O 3.12Å; N139-N142 WeakPolarHBondContact O-CB 3.29Å; N139-N142 PolarHBondContact O-N 3.32Å; N139-N142 VanDerWaalsContact O-N 3.11Å
140	A	96.9	Very high	95.9	Very high	3 Å²	3	23.9 Å²	23.9	3%	0.025	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	55.7	-177.8	0	0	0	0	0	113.3	S100 D104 V105 C108 C118 H119 T138 N142	S100-A140 PolarHBondContact OG-N 2.81Å; D104-A140 HydrophobicContact CB-CB 4.49Å; V105-A140 HydrophobicContact CG2-CB 4.27Å; C108-A140 HydrophobicContact CB-CB 4.05Å; C108-A140 VanDerWaalsContact CB-O 3.31Å; C108-A140 WeakPolarHBondContact CB-O 3.31Å; C118-A140 HydrophobicContact CB-CB 4.14Å; H119-A140 PolarHBondContact O-N 2.92Å; T138-A140 VanDerWaalsContact C-N 3.35Å; T138-A140 PolarHBondContact O-N 2.78Å; A140-N142 PolarHBondContact O-N 3.36Å
141	F	97.4	Very high	95.9	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.035	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	33	-176.7	-67.6	-108	0	0	0	113.2	C108 K113 E117 T138 N139 Y168 D169 F191	C108-F141 WeakPolarHBondContact SG-CD2 3.32Å; K113-F141 HydrophobicContact CB-CE2 4.29Å; K113-F141 HydrophobicContact CD-CD1 4.36Å; K113-F141 HydrophobicContact CD-CE1 3.79Å; K113-F141 HydrophobicContact CD-CE2 4.05Å; K113-F141 HydrophobicContact CD-CZ 3.61Å; K113-F141 HydrophobicContact CG-CD1 4.35Å; K113-F141 HydrophobicContact CG-CD2 4.15Å; K113-F141 HydrophobicContact CG-CE1 4.23Å; K113-F141 HydrophobicContact CG-CE2 3.99Å; K113-F141 HydrophobicContact CG-CG 4.34Å; K113-F141 HydrophobicContact CG-CZ 4.04Å; E117-F141 HydrophobicContact CB-CE2 3.88Å; E117-F141 HydrophobicContact CB-CZ 4.4Å; T138-F141 PolarHBondContact O-N 2.75Å; T138-F141 VanDerWaalsContact O-N 3.11Å; N139-F141 PolarHBondContact O-N 2.74Å; F141-Y168 HydrophobicContact CB-CD1 4.29Å; F141-Y168 WeakPolarHBondContact O-CD1 3.38Å; F141-Y168 WeakPolarHBondContact O-CE1 3.3Å; F141-D169 HydrophobicContact CE1-CB 3.86Å; F141-D169 HydrophobicContact CZ-CB 4.03Å; F141-F191 HydrophobicContact CB-CD2 3.81Å; F141-F191 HydrophobicContact CB-CE2 3.53Å; F141-F191 AromaticContact CD1-CD2 3.91Å; F141-F191 HydrophobicContact CD1-CD2 3.91Å; F141-F191 AromaticContact CD1-CE2 3.55Å; F141-F191 HydrophobicContact CD1-CE2 3.55Å; F141-F191 HydrophobicContact CD1-CZ 4.24Å; F141-F191 HydrophobicContact CG-CD2 4.28Å; F141-F191 AromaticContact CG-CE2 3.77Å; F141-F191 HydrophobicContact CG-CE2 3.77Å
142	N	97.8	Very high	95.9	Very high	80 Å²	80	22.5 Å²	22.5	43%	0.428	12%	0.117	S	C	.	.	S	Bend	trans	-137.6	70.1	169.8	-172.8	22	0	0	0	109.8	D104 T138 N139 A140 S144	D104-N142 PolarHBondContact OD1-ND2 3.03Å; T138-N142 CarbonylContact O-C 3.54Å; T138-N142 PolarHBondContact O-N 2.69Å; N139-N142 VanDerWaalsContact CB-O 3.32Å; N139-N142 WeakPolarHBondContact CB-O 3.23Å; N139-N142 PolarHBondContact ND2-O 2.65Å; N139-N142 VanDerWaalsContact ND2-O 3.12Å; N139-N142 WeakPolarHBondContact O-CB 3.29Å; N139-N142 PolarHBondContact O-N 3.32Å; N139-N142 VanDerWaalsContact O-N 3.11Å; A140-N142 PolarHBondContact O-N 3.36Å; N142-S144 PolarHBondContact O-N 3.38Å
143	P	98	Very high	95.8	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.032	12%	0.116	C	C	.	.			trans	-52.9	137.3	-165.9	-27.7	35.3	0	0	0	113	G137 G162 C166 P167 Y168	G137-P143 WeakPolarHBondContact O-CA 3.48Å; P143-G162 VanDerWaalsContact O-CA 3.22Å; P143-G162 WeakPolarHBondContact O-CA 3.47Å; P143-G162 PolarHBondContact O-N 3.14Å; P143-C166 HydrophobicContact CB-CB 4.09Å; P143-C166 WeakPolarHBondContact CB-O 3.31Å; P143-P167 WeakPolarHBondContact CG-O 3.3Å; P143-Y168 HydrophobicContact CG-CD1 3.88Å; P143-Y168 HydrophobicContact CG-CD2 3.69Å; P143-Y168 HydrophobicContact CG-CE1 4Å; P143-Y168 HydrophobicContact CG-CE2 3.82Å; P143-Y168 HydrophobicContact CG-CG 3.69Å
144	S	98.1	Very high	95.8	Very high	4 Å²	4	28 Å²	28	3%	0.028	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	153.2	-173.9	-177.7	0	0	0	0	111.1	W98 C136 G137 N142 E159	W98-S144 WeakPolarHBondContact CH2-O 3.45Å; C136-S144 CarbonylContact C-O 3.31Å; C136-S144 WeakPolarHBondContact CA-O 3.31Å; C136-S144 VanDerWaalsContact CB-O 3.3Å; C136-S144 WeakPolarHBondContact CB-O 3.41Å; G137-S144 PolarHBondContact N-O 2.87Å; G137-S144 PolarHBondContact O-N 2.87Å; N142-S144 PolarHBondContact O-N 3.38Å; S144-E159 WeakPolarHBondContact CB-OE1 3.28Å; S144-E159 WeakPolarHBondContact OG-CG 3.45Å; S144-E159 PolarHBondContact OG-OE1 3.48Å
145	C	98.1	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.3	178.6	-58.3	0	0	0	0	112.1	F134 V135 C136 I160	F134-C145 HydrophobicContact CE1-CB 4.22Å; F134-C145 HydrophobicContact CE2-CB 4.01Å; F134-C145 HydrophobicContact CZ-CB 3.56Å; V135-C145 CarbonylContact O-C 3.55Å; V135-C145 VanDerWaalsContact O-CA 3.25Å; V135-C145 WeakPolarHBondContact O-CA 3.09Å; C136-C145 HydrophobicContact CB-CB 3.98Å; C136-C145 WeakPolarHBondContact CB-SG 3.39Å; C136-C145 WeakPolarHBondContact SG-CB 3.43Å; C136-C145 CovalentContact SG-SG 2.04Å; C136-C145 PolarHBondContact SG-SG 2.9Å; C145-I160 HydrophobicContact CB-CD1 4.35Å; C145-I160 HydrophobicContact CB-CG1 3.77Å; C145-I160 PolarHBondContact N-O 3.13Å; C145-I160 PolarHBondContact O-N 3.39Å
146	R	96.6	Very high	95.4	Very high	56 Å²	56	33.3 Å²	33.3	21%	0.211	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.4	177.1	-67.7	-179.5	-178.2	-176.2	1.7	110.3	W98 V135 Y148 E159	W98-R146 VanDerWaalsContact CD1-CZ 3.49Å; W98-R146 VanDerWaalsContact CD1-NH1 3.34Å; W98-R146 HydrophobicContact CH2-CB 4.39Å; W98-R146 HydrophobicContact CH2-CG 3.97Å; W98-R146 HydrophobicContact CZ2-CG 3.89Å; V135-R146 PolarHBondContact N-O 3.29Å; V135-R146 PolarHBondContact O-N 2.93Å; R146-Y148 HydrophobicContact CB-CD2 4.16Å; R146-Y148 HydrophobicContact CB-CE2 3.57Å; R146-E159 HydrophobicContact CG-CB 4.12Å; R146-E159 HydrophobicContact CG-CG 3.94Å; R146-E159 IonicContact CZ-OE2 3.18Å; R146-E159 IonicContact NE-OE2 2.81Å; R146-E159 PolarHBondContact NE-OE2 2.98Å; R146-E159 IonicContact NH2-OE2 2.66Å; R146-E159 PolarHBondContact NH2-OE2 3.14Å
147	T	96.4	Very high	95.1	Very high	33 Å²	33	37.1 Å²	37.1	20%	0.202	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	142.6	167.8	-60.5	0	0	0	0	109	Q128 T132 L133 A155 L156	Q128-T147 PolarHBondContact OE1-OG1 2.55Å; T132-T147 HydrophobicContact CG2-CG2 4.18Å; L133-T147 CarbonylContact O-C 3.56Å; L133-T147 VanDerWaalsContact O-CA 3.29Å; L133-T147 WeakPolarHBondContact O-CA 3.42Å; T147-A155 CarbonylContact O-C 3.54Å; T147-A155 WeakPolarHBondContact O-CA 3.35Å; T147-L156 HydrophobicContact CG2-CB 4.34Å; T147-L156 HydrophobicContact CG2-CD1 4.33Å; T147-L156 PolarHBondContact O-N 2.91Å
148	Y	95.7	Very high	94.7	Very high	6 Å²	6	45.5 Å²	45.5	2%	0.024	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.5	179.4	-75.4	-92	0	0	0	110.2	M96 W98 T132 L133 V135 R146 L153 E154 A155	M96-Y148 HydrophobicContact CE-CE1 4.43Å; M96-Y148 HydrophobicContact CE-CE2 4.2Å; M96-Y148 HydrophobicContact CG-CD1 4.21Å; M96-Y148 HydrophobicContact CG-CE1 3.85Å; M96-Y148 HydrophobicContact SD-CD1 3.54Å; M96-Y148 VanDerWaalsContact SD-CD1 3.54Å; M96-Y148 HydrophobicContact SD-CD2 3.97Å; M96-Y148 HydrophobicContact SD-CE1 3.4Å; M96-Y148 WeakPolarHBondContact SD-CE1 3.32Å; M96-Y148 HydrophobicContact SD-CE2 3.82Å; M96-Y148 HydrophobicContact SD-CG 3.83Å; M96-Y148 VanDerWaalsContact SD-CZ 3.56Å; W98-Y148 HydrophobicContact CE3-CE2 4.4Å; T132-Y148 CarbonylContact C-O 3.46Å; T132-Y148 VanDerWaalsContact CA-O 3.25Å; T132-Y148 WeakPolarHBondContact CA-O 3.48Å; L133-Y148 PolarHBondContact N-O 3.27Å; L133-Y148 PolarHBondContact O-N 3.39Å; V135-Y148 HydrophobicContact CB-CD2 3.91Å; V135-Y148 HydrophobicContact CB-CE2 4.05Å; V135-Y148 HydrophobicContact CG2-CD2 3.69Å; V135-Y148 HydrophobicContact CG2-CE2 4.27Å; R146-Y148 HydrophobicContact CB-CD2 4.16Å; R146-Y148 HydrophobicContact CB-CE2 3.57Å; Y148-L153 VanDerWaalsContact CD1-O 3.28Å; Y148-L153 WeakPolarHBondContact CD1-O 3.4Å; Y148-E154 CarbonylContact C-O 3.58Å; Y148-E154 VanDerWaalsContact CA-O 3.26Å; Y148-E154 WeakPolarHBondContact CA-O 3.32Å; Y148-E154 VanDerWaalsContact CD1-C 3.44Å; Y148-A155 HydrophobicContact CD1-CB 4.1Å; Y148-A155 HydrophobicContact CE1-CB 3.69Å
149	K	94.9	Very high	94.6	Very high	82 Å²	82	48.5 Å²	48.5	36%	0.357	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.5	166.9	-64.9	-175.9	179.4	-179.4	0	110.7	D151 L153 E154 L156	K149-D151 VanDerWaalsContact C-N 3.34Å; K149-D151 VanDerWaalsContact CB-OD1 3.24Å; K149-D151 WeakPolarHBondContact CB-OD1 3.38Å; K149-D151 PolarHBondContact O-N 3.08Å; K149-L153 VanDerWaalsContact O-CA 3.23Å; K149-L153 WeakPolarHBondContact O-CA 3.41Å; K149-L153 PolarHBondContact O-N 3.32Å; K149-E154 PolarHBondContact N-O 2.93Å; K149-L156 HydrophobicContact CD-CD2 4.3Å; K149-L156 HydrophobicContact CG-CD1 3.66Å; K149-L156 HydrophobicContact CG-CD2 3.85Å; K149-L156 HydrophobicContact CG-CG 3.78Å
150	M	91.9	Very high	94.6	Very high	22 Å²	22	51.2 Å²	51.2	11%	0.108	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-33.1	178.6	-78.3	-177.5	81.9	0	0	113	M64 Q127 D131 L133	M64-M150 HydrophobicContact CB-CE 4.2Å; M64-M150 HydrophobicContact SD-CE 4.43Å; Q127-M150 HydrophobicContact CG-CE 4.45Å; Q127-M150 HydrophobicContact CG-SD 4.02Å; D131-M150 PolarHBondContact O-N 2.78Å; L133-M150 HydrophobicContact CD1-CG 4.18Å; L133-M150 HydrophobicContact CD2-CE 4.06Å; L133-M150 HydrophobicContact CD2-CG 3.66Å; L133-M150 HydrophobicContact CD2-SD 4.09Å; L133-M150 HydrophobicContact CG-CG 3.51Å
151	D	88.1	Confident	94.6	Very high	104 Å²	104	54.3 Å²	54.3	56%	0.556	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-53.8	-176.5	65.8	-23.3	0	0	0	112.4	K94 K149	K94-D151 PolarHBondContact NZ-O 2.73Å; K149-D151 VanDerWaalsContact C-N 3.34Å; K149-D151 VanDerWaalsContact CB-OD1 3.24Å; K149-D151 WeakPolarHBondContact CB-OD1 3.38Å; K149-D151 PolarHBondContact O-N 3.08Å
152	S	91.1	Very high	94.6	Very high	45 Å²	45	53.9 Å²	53.9	32%	0.315	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-17.9	-175.5	68.8	0	0	0	0	113.6	E154	S152-E154 PolarHBondContact O-N 3.18Å; S152-E154 VanDerWaalsContact OG-CB 3.3Å; S152-E154 WeakPolarHBondContact OG-CB 3.19Å; S152-E154 VanDerWaalsContact OG-CD 3.3Å; S152-E154 VanDerWaalsContact OG-CG 3.25Å; S152-E154 WeakPolarHBondContact OG-CG 3.43Å; S152-E154 PolarHBondContact OG-N 2.76Å; S152-E154 PolarHBondContact OG-OE2 3.39Å
153	L	92.5	Very high	94.7	Very high	13 Å²	13	54.6 Å²	54.6	7%	0.068	31%	0.306	C	S	.	.			trans	56.9	28.4	-167.8	-52.7	175.5	0	0	0	112.8	Y69 T79 K94 M96 L133 Y148 K149	Y69-L153 HydrophobicContact CE1-CD2 4.15Å; T79-L153 HydrophobicContact CG2-CD1 3.82Å; K94-L153 HydrophobicContact CB-CD1 3.78Å; M96-L153 HydrophobicContact CB-CB 4.1Å; M96-L153 HydrophobicContact CB-CD1 4.16Å; M96-L153 HydrophobicContact CG-CB 4.25Å; L133-L153 HydrophobicContact CD1-CD2 4.04Å; Y148-L153 VanDerWaalsContact CD1-O 3.28Å; Y148-L153 WeakPolarHBondContact CD1-O 3.4Å; K149-L153 VanDerWaalsContact O-CA 3.23Å; K149-L153 WeakPolarHBondContact O-CA 3.41Å; K149-L153 PolarHBondContact O-N 3.32Å
154	E	93.9	Very high	94.6	Very high	118 Å²	118	54.6 Å²	54.6	55%	0.551	31%	0.306	S	S	*	.			trans	-87.1	142.1	172.9	-67.5	168.2	157.9	0	0	110.7	Y148 K149 S152	Y148-E154 CarbonylContact C-O 3.58Å; Y148-E154 VanDerWaalsContact CA-O 3.26Å; Y148-E154 WeakPolarHBondContact CA-O 3.32Å; Y148-E154 VanDerWaalsContact CD1-C 3.44Å; K149-E154 PolarHBondContact N-O 2.93Å; S152-E154 PolarHBondContact O-N 3.18Å; S152-E154 VanDerWaalsContact OG-CB 3.3Å; S152-E154 WeakPolarHBondContact OG-CB 3.19Å; S152-E154 VanDerWaalsContact OG-CD 3.3Å; S152-E154 VanDerWaalsContact OG-CG 3.25Å; S152-E154 WeakPolarHBondContact OG-CG 3.43Å; S152-E154 PolarHBondContact OG-N 2.76Å; S152-E154 PolarHBondContact OG-OE2 3.39Å
155	A	94.1	Very high	94.7	Very high	55 Å²	55	56 Å²	56	46%	0.455	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	141.6	178.7	0	0	0	0	0	110.8	T147 Y148	T147-A155 CarbonylContact O-C 3.54Å; T147-A155 WeakPolarHBondContact O-CA 3.35Å; Y148-A155 HydrophobicContact CD1-CB 4.1Å; Y148-A155 HydrophobicContact CE1-CB 3.69Å
156	L	93.3	Very high	94.7	Very high	60 Å²	60	56 Å²	56	31%	0.314	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.3	177.3	-70	-178.7	0	0	0	110.6	T132 T147 K149	T132-L156 HydrophobicContact CG2-CD1 3.82Å; T147-L156 HydrophobicContact CG2-CB 4.34Å; T147-L156 HydrophobicContact CG2-CD1 4.33Å; T147-L156 PolarHBondContact O-N 2.91Å; K149-L156 HydrophobicContact CD-CD2 4.3Å; K149-L156 HydrophobicContact CG-CD1 3.66Å; K149-L156 HydrophobicContact CG-CD2 3.85Å; K149-L156 HydrophobicContact CG-CG 3.78Å
157	G	90	Very high	94.7	Very high	80 Å²	80	53.3 Å²	53.3	83%	0.825	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	63.7	-158.1	174.5	0	0	0	0	0	113.3
158	E	90.6	Very high	94.8	Very high	176 Å²	176	52.9 Å²	52.9	82%	0.822	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	152.7	-179.8	-65.3	-168	161.5	0	0	112.4
159	E	94.5	Very high	94.8	Very high	65 Å²	65	53.4 Å²	53.4	30%	0.304	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.9	171.7	-175.7	176.8	138.2	0	0	110.3	R101 S144 R146	R101-E159 IonicContact NH2-OE2 3.88Å; S144-E159 WeakPolarHBondContact CB-OE1 3.28Å; S144-E159 WeakPolarHBondContact OG-CG 3.45Å; S144-E159 PolarHBondContact OG-OE1 3.48Å; R146-E159 HydrophobicContact CG-CB 4.12Å; R146-E159 HydrophobicContact CG-CG 3.94Å; R146-E159 IonicContact CZ-OE2 3.18Å; R146-E159 IonicContact NE-OE2 2.81Å; R146-E159 PolarHBondContact NE-OE2 2.98Å; R146-E159 IonicContact NH2-OE2 2.66Å; R146-E159 PolarHBondContact NH2-OE2 3.14Å
160	I	96.5	Very high	94.8	Very high	61 Å²	61	50.1 Å²	50.1	31%	0.313	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	156.4	178.3	69.5	171.6	0	0	0	110.8	F134 C145 G162 L202	F134-I160 HydrophobicContact CE2-CD1 3.97Å; F134-I160 HydrophobicContact CZ-CD1 4.14Å; C145-I160 HydrophobicContact CB-CD1 4.35Å; C145-I160 HydrophobicContact CB-CG1 3.77Å; C145-I160 PolarHBondContact N-O 3.13Å; C145-I160 PolarHBondContact O-N 3.39Å; I160-G162 PolarHBondContact O-N 2.9Å; I160-L202 HydrophobicContact CD1-CD1 4.45Å; I160-L202 HydrophobicContact CD1-CD2 3.94Å
161	S	97.7	Very high	95	Very high	67 Å²	67	56.2 Å²	56.2	47%	0.469	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	135	177.5	-178.7	0	0	0	0	112	M163 R165	S161-M163 WeakPolarHBondContact OG-CB 3.4Å; S161-M163 PolarHBondContact OG-N 3.43Å; S161-R165 PolarHBondContact O-NH1 2.85Å
162	G	97.8	Very high	95.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.301	C	S	.	.			trans	-90.2	0.3	172.4	0	0	0	0	0	113.9	P143 I160 A164 R165 C166	P143-G162 VanDerWaalsContact O-CA 3.22Å; P143-G162 WeakPolarHBondContact O-CA 3.47Å; P143-G162 PolarHBondContact O-N 3.14Å; I160-G162 PolarHBondContact O-N 2.9Å; G162-A164 PolarHBondContact O-N 3.04Å; G162-R165 WeakPolarHBondContact O-CA 3.31Å; G162-R165 WeakPolarHBondContact O-CB 3.42Å; G162-R165 PolarHBondContact O-N 2.82Å; G162-C166 PolarHBondContact O-N 2.56Å
163	M	98.3	Very high	95.5	Very high	94 Å²	94	53.6 Å²	53.6	46%	0.463	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	132.8	177.9	-173.7	-175.4	-67.9	0	0	110.7	S161 R165 T189	S161-M163 WeakPolarHBondContact OG-CB 3.4Å; S161-M163 PolarHBondContact OG-N 3.43Å; M163-R165 PolarHBondContact O-N 3.48Å; M163-T189 WeakPolarHBondContact CG-O 3.47Å
164	A	97.8	Very high	95.7	Very high	6 Å²	6	54.4 Å²	54.4	5%	0.05	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	0	-173.9	0	0	0	0	0	116	G162 S185 T187 T189 V197 Y199	G162-A164 PolarHBondContact O-N 3.04Å; A164-S185 WeakPolarHBondContact O-CB 3.39Å; A164-S185 PolarHBondContact O-OG 2.95Å; A164-T187 WeakPolarHBondContact O-CG2 3.37Å; A164-T189 HydrophobicContact CB-CG2 3.96Å; A164-V197 HydrophobicContact CB-CG1 3.94Å; A164-Y199 HydrophobicContact CB-CD1 3.64Å; A164-Y199 HydrophobicContact CB-CD2 4.29Å; A164-Y199 HydrophobicContact CB-CE1 4.03Å; A164-Y199 HydrophobicContact CB-CG 3.77Å
165	R	98.4	Very high	95.9	Very high	33 Å²	33	49.2 Å²	49.2	13%	0.125	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-34.7	178.4	-61	175.1	179.9	110.9	-0.1	112.3	S161 G162 M163 L183 S201	S161-R165 PolarHBondContact O-NH1 2.85Å; G162-R165 WeakPolarHBondContact O-CA 3.31Å; G162-R165 WeakPolarHBondContact O-CB 3.42Å; G162-R165 PolarHBondContact O-N 2.82Å; M163-R165 PolarHBondContact O-N 3.48Å; R165-L183 HydrophobicContact CB-CD2 4.23Å; R165-L183 HydrophobicContact CG-CD2 3.87Å; R165-S201 PolarHBondContact NE-OG 3.16Å; R165-S201 VanDerWaalsContact NH2-CB 3.32Å; R165-S201 PolarHBondContact NH2-OG 2.81Å; R165-S201 VanDerWaalsContact NH2-OG 3.1Å
166	C	98.1	Very high	96.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-137.4	142	-176.3	-177.9	0	0	0	0	109.5	V124 C136 G137 P143 G162	V124-C166 HydrophobicContact CG2-CB 4.4Å; C136-C166 HydrophobicContact CB-CB 3.52Å; G137-C166 PolarHBondContact O-SG 2.82Å; P143-C166 HydrophobicContact CB-CB 4.09Å; P143-C166 WeakPolarHBondContact CB-O 3.31Å; G162-C166 PolarHBondContact O-N 2.56Å
167	P	97.8	Very high	96.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.			trans	-70.7	159.1	178.6	29.8	-35.7	0	0	0	112.2	K123 T138 P143 H172 N174 T187	K123-P167 HydrophobicContact CB-CG 4.06Å; K123-P167 HydrophobicContact CG-CG 3.94Å; T138-P167 WeakPolarHBondContact CG2-O 3.29Å; P143-P167 WeakPolarHBondContact CG-O 3.3Å; P167-H172 HydrophobicContact CB-CB 3.95Å; P167-N174 HydrophobicContact CG-CB 4.08Å; P167-T187 VanDerWaalsContact CA-OG1 3.31Å; P167-T187 WeakPolarHBondContact CA-OG1 3.41Å; P167-T187 WeakPolarHBondContact CB-OG1 3.42Å
168	Y	97.6	Very high	96.6	Very high	24 Å²	24	44.2 Å²	44.2	9%	0.094	23%	0.226	C	C	.	.	S	Bend	trans	-77	-42.6	171.3	-72.9	-103.4	0	0	0	112.1	T138 F141 P143 V188 T189 F191	T138-Y168 WeakPolarHBondContact CB-O 3.41Å; F141-Y168 HydrophobicContact CB-CD1 4.29Å; F141-Y168 WeakPolarHBondContact O-CD1 3.38Å; F141-Y168 WeakPolarHBondContact O-CE1 3.3Å; P143-Y168 HydrophobicContact CG-CD1 3.88Å; P143-Y168 HydrophobicContact CG-CD2 3.69Å; P143-Y168 HydrophobicContact CG-CE1 4Å; P143-Y168 HydrophobicContact CG-CE2 3.82Å; P143-Y168 HydrophobicContact CG-CG 3.69Å; Y168-V188 HydrophobicContact CD2-CG2 4.31Å; Y168-T189 WeakPolarHBondContact CE2-O 3.23Å; Y168-T189 PolarHBondContact OH-O 3.44Å; Y168-F191 HydrophobicContact CD1-CB 4.29Å; Y168-F191 HydrophobicContact CD1-CD2 4.23Å; Y168-F191 HydrophobicContact CE1-CB 4.4Å
169	D	96.8	Very high	96.9	Very high	17 Å²	17	36 Å²	36	9%	0.091	19%	0.188	C	C	.	.	S	Bend	trans	-97.6	133.7	179.4	-163.6	-46.9	0	0	0	110.3	F141 K171 H172	F141-D169 HydrophobicContact CE1-CB 3.86Å; F141-D169 HydrophobicContact CZ-CB 4.03Å; D169-K171 PolarHBondContact O-N 2.87Å; D169-K171 WeakPolarHBondContact OD1-CB 3.4Å; D169-K171 PolarHBondContact OD1-N 3.04Å; D169-H172 PolarHBondContact O-N 3.35Å
170	A	95.1	Very high	96.9	Very high	13 Å²	13	38 Å²	38	11%	0.107	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.6	178.5	0	0	0	0	0	113.2	Q59 F121 K123 T138 H172	Q59-A170 PolarHBondContact OE1-O 2.97Å; F121-A170 HydrophobicContact CB-CB 3.68Å; F121-A170 HydrophobicContact CD1-CB 3.3Å; F121-A170 HydrophobicContact CD2-CB 3.81Å; F121-A170 HydrophobicContact CE1-CB 3.84Å; F121-A170 HydrophobicContact CE2-CB 4.27Å; F121-A170 HydrophobicContact CG-CB 3.34Å; F121-A170 HydrophobicContact CZ-CB 4.31Å; K123-A170 WeakPolarHBondContact CE-O 3.32Å; K123-A170 PolarHBondContact NZ-O 2.89Å; T138-A170 HydrophobicContact CG2-CB 4.35Å; A170-H172 VanDerWaalsContact C-N 3.3Å
171	K	94.3	Very high	96.8	Very high	150 Å²	150	37.5 Å²	37.5	65%	0.652	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.6	179	-63.9	164.7	-178.7	161.5	0	112.4	E117 D169	E117-K171 IonicContact OE1-NZ 3.79Å; E117-K171 PolarHBondContact OE1-NZ 2.91Å; D169-K171 PolarHBondContact O-N 2.87Å; D169-K171 WeakPolarHBondContact OD1-CB 3.4Å; D169-K171 PolarHBondContact OD1-N 3.04Å
172	H	96	Very high	96.8	Very high	67 Å²	67	35.5 Å²	35.5	31%	0.31	19%	0.194	S	C	.	.	S	Bend	trans	-71.2	139.8	177	-68.3	172.5	0	0	0	110.8	K123 P167 D169 A170 A193	K123-H172 WeakPolarHBondContact CE-O 3.47Å; K123-H172 PolarHBondContact NZ-O 2.05Å; K123-H172 VanDerWaalsContact NZ-O 3.13Å; P167-H172 HydrophobicContact CB-CB 3.95Å; D169-H172 PolarHBondContact O-N 3.35Å; A170-H172 VanDerWaalsContact C-N 3.3Å; H172-A193 VanDerWaalsContact CE1-CB 3.44Å; H172-A193 WeakPolarHBondContact CE1-CB 3.5Å
173	A	94.3	Very high	96.8	Very high	26 Å²	26	35.6 Å²	35.6	22%	0.215	19%	0.194	C	C	.	.			trans	-77.9	146	167.8	0	0	0	0	0	109.7	Y222 F223	A173-Y222 HydrophobicContact CB-CD1 4.21Å; A173-Y222 HydrophobicContact CB-CD2 4.43Å; A173-Y222 HydrophobicContact CB-CE1 3.59Å; A173-Y222 HydrophobicContact CB-CE2 3.85Å; A173-F223 VanDerWaalsContact CB-O 3.3Å; A173-F223 WeakPolarHBondContact CB-O 3.41Å
174	N	97.4	Very high	96.9	Very high	31 Å²	31	31.1 Å²	31.1	17%	0.166	17%	0.172	C	C	.	.			trans	-144	156.7	177.5	65.1	-74.6	0	0	0	109.1	K123 P167 A186	K123-N174 WeakPolarHBondContact CE-OD1 3.48Å; K123-N174 PolarHBondContact O-ND2 2.84Å; P167-N174 HydrophobicContact CG-CB 4.08Å; N174-A186 WeakPolarHBondContact CA-O 3.26Å
175	V	97.9	Very high	96.9	Very high	8 Å²	8	30.8 Å²	30.8	5%	0.048	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.9	172.5	174.3	0	0	0	0	107.7	S185 A186 F223 A226	V175-S185 CarbonylContact O-C 3.53Å; V175-S185 WeakPolarHBondContact O-CA 3.28Å; V175-A186 HydrophobicContact CB-CB 4.16Å; V175-A186 PolarHBondContact N-O 3.41Å; V175-A186 PolarHBondContact O-N 2.98Å; V175-F223 HydrophobicContact CG2-CB 3.82Å; V175-A226 HydrophobicContact CG1-CB 3.39Å
176	A	97.9	Very high	96.9	Very high	22 Å²	22	29.2 Å²	29.2	18%	0.182	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	133.9	173.8	0	0	0	0	0	108.9	V124 L126 L183 Y184	V124-A176 HydrophobicContact CB-CB 4.35Å; V124-A176 HydrophobicContact CG1-CB 3.63Å; V124-A176 HydrophobicContact CG2-CB 3.82Å; L126-A176 HydrophobicContact CD1-CB 3.89Å; A176-L183 HydrophobicContact CB-CD1 4.45Å; A176-Y184 CarbonylContact C-O 3.57Å; A176-Y184 WeakPolarHBondContact CA-O 3.49Å
177	L	97.3	Very high	97	Very high	36 Å²	36	29.4 Å²	29.4	19%	0.188	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	137.1	-175.5	178	71.1	0	0	0	109.9	Y184 A226 N228 I233	L177-Y184 PolarHBondContact N-O 2.82Å; L177-Y184 PolarHBondContact O-N 3.04Å; L177-A226 HydrophobicContact CD2-CB 4.25Å; L177-N228 HydrophobicContact CD2-CB 4.11Å; L177-I233 HydrophobicContact CD2-CD1 4.39Å; L177-I233 HydrophobicContact CD2-CG2 4.14Å
178	F	97.1	Very high	97	Very high	32 Å²	32	30 Å²	30	14%	0.14	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.3	167.9	-87.6	-74.3	0	0	0	111.3	L126 Q128 F134 K182 L183 L202	L126-F178 HydrophobicContact CB-CD2 3.92Å; L126-F178 HydrophobicContact CB-CE2 4.24Å; L126-F178 HydrophobicContact CD1-CD2 3.73Å; L126-F178 HydrophobicContact CD1-CE2 4.05Å; L126-F178 HydrophobicContact CG-CD2 4.49Å; Q128-F178 HydrophobicContact CB-CE2 4.32Å; Q128-F178 HydrophobicContact CG-CE1 4.4Å; Q128-F178 HydrophobicContact CG-CE2 4.3Å; Q128-F178 HydrophobicContact CG-CZ 4.07Å; F134-F178 HydrophobicContact CB-CE2 3.61Å; F134-F178 HydrophobicContact CB-CZ 4.13Å; F134-F178 AromaticContact CD1-CE2 3.77Å; F134-F178 HydrophobicContact CD1-CE2 3.77Å; F134-F178 HydrophobicContact CD1-CZ 4.06Å; F134-F178 HydrophobicContact CD2-CZ 4.33Å; F134-F178 AromaticContact CG-CE2 3.74Å; F134-F178 HydrophobicContact CG-CE2 3.74Å; F134-F178 AromaticContact CG-CZ 3.92Å; F134-F178 HydrophobicContact CG-CZ 3.92Å; F178-K182 WeakPolarHBondContact CA-O 3.06Å; F178-K182 WeakPolarHBondContact CD1-O 3.1Å; F178-L183 HydrophobicContact CD1-CB 4.3Å; F178-L183 HydrophobicContact CD2-CD1 4.25Å; F178-L183 HydrophobicContact CE1-CB 3.8Å; F178-L183 HydrophobicContact CE1-CD1 4.45Å; F178-L183 HydrophobicContact CE2-CD1 3.97Å; F178-L183 HydrophobicContact CZ-CB 4.04Å; F178-L183 HydrophobicContact CZ-CD1 4.09Å; F178-L202 HydrophobicContact CE1-CD1 4.32Å; F178-L202 HydrophobicContact CZ-CD1 4.13Å
179	A	96.5	Very high	97	Very high	5 Å²	5	29.7 Å²	29.7	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	130.7	166.9	0	0	0	0	0	109.7	G181 K182 Y184 N228 I233	A179-G181 PolarHBondContact O-N 3.02Å; A179-K182 PolarHBondContact N-O 2.9Å; A179-K182 WeakPolarHBondContact O-CB 3.41Å; A179-K182 PolarHBondContact O-N 2.83Å; A179-Y184 HydrophobicContact CB-CD2 4.25Å; A179-Y184 HydrophobicContact CB-CE2 3.9Å; A179-N228 WeakPolarHBondContact CB-ND2 3.33Å; A179-I233 HydrophobicContact CB-CD1 3.73Å
180	D	94.6	Very high	96.9	Very high	106 Å²	106	30.7 Å²	30.7	57%	0.567	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.4	-178.8	-46.4	-34.5	0	0	0	113.2	K182	D180-K182 PolarHBondContact O-N 3.36Å; D180-K182 VanDerWaalsContact O-N 3.16Å
181	G	94.5	Very high	96.9	Very high	50 Å²	50	32.5 Å²	32.5	52%	0.515	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	-0.4	-177.8	0	0	0	0	0	115.5	A179 G203	A179-G181 PolarHBondContact O-N 3.02Å; G181-G203 PolarHBondContact O-N 3.35Å
182	K	97.6	Very high	96.9	Very high	26 Å²	26	31.4 Å²	31.4	11%	0.113	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.5	179.2	-55.6	157.5	-165.2	164.7	0	109.8	F178 A179 D180 Y184 R200 S205 K260	F178-K182 WeakPolarHBondContact CA-O 3.06Å; F178-K182 WeakPolarHBondContact CD1-O 3.1Å; A179-K182 PolarHBondContact N-O 2.9Å; A179-K182 WeakPolarHBondContact O-CB 3.41Å; A179-K182 PolarHBondContact O-N 2.83Å; D180-K182 PolarHBondContact O-N 3.36Å; D180-K182 VanDerWaalsContact O-N 3.16Å; K182-Y184 HydrophobicContact CB-CE2 3.87Å; K182-R200 HydrophobicContact CB-CG 4.08Å; K182-S205 VanDerWaalsContact CE-OG 3.26Å; K182-S205 WeakPolarHBondContact CE-OG 3.31Å; K182-K260 PolarHBondContact NZ-O 3.42Å
183	L	98.3	Very high	96.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.1	173.4	178.1	68	0	0	0	109.5	L126 F134 R165 A176 F178 R200 S201 L202	L126-L183 HydrophobicContact CD1-CD1 3.82Å; F134-L183 HydrophobicContact CD1-CD2 4.42Å; F134-L183 HydrophobicContact CE1-CD1 4.4Å; F134-L183 HydrophobicContact CE1-CD2 3.54Å; F134-L183 HydrophobicContact CZ-CD2 3.92Å; R165-L183 HydrophobicContact CB-CD2 4.23Å; R165-L183 HydrophobicContact CG-CD2 3.87Å; A176-L183 HydrophobicContact CB-CD1 4.45Å; F178-L183 HydrophobicContact CD1-CB 4.3Å; F178-L183 HydrophobicContact CD2-CD1 4.25Å; F178-L183 HydrophobicContact CE1-CB 3.8Å; F178-L183 HydrophobicContact CE1-CD1 4.45Å; F178-L183 HydrophobicContact CE2-CD1 3.97Å; F178-L183 HydrophobicContact CZ-CB 4.04Å; F178-L183 HydrophobicContact CZ-CD1 4.09Å; L183-R200 VanDerWaalsContact O-CA 3.26Å; L183-R200 WeakPolarHBondContact O-CA 3.28Å; L183-S201 PolarHBondContact N-O 2.82Å; L183-S201 PolarHBondContact O-N 2.98Å; L183-L202 HydrophobicContact CB-CB 4.37Å; L183-L202 HydrophobicContact CB-CD1 3.96Å; L183-L202 HydrophobicContact CB-CG 4.22Å; L183-L202 HydrophobicContact CD2-CD1 4.06Å
184	Y	98.8	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.3	168.9	-65.5	-94.9	0	0	0	108.5	A176 L177 A179 K182 Y199 R200 I233 F235 V258 K260 W274	A176-Y184 CarbonylContact C-O 3.57Å; A176-Y184 WeakPolarHBondContact CA-O 3.49Å; L177-Y184 PolarHBondContact N-O 2.82Å; L177-Y184 PolarHBondContact O-N 3.04Å; A179-Y184 HydrophobicContact CB-CD2 4.25Å; A179-Y184 HydrophobicContact CB-CE2 3.9Å; K182-Y184 HydrophobicContact CB-CE2 3.87Å; Y184-Y199 WeakPolarHBondContact CA-O 3.36Å; Y184-R200 HydrophobicContact CD1-CB 4.14Å; Y184-R200 HydrophobicContact CD1-CG 4.01Å; Y184-R200 HydrophobicContact CE1-CB 4.24Å; Y184-R200 VanDerWaalsContact CE1-CD 3.46Å; Y184-R200 HydrophobicContact CE1-CG 3.85Å; Y184-R200 HydrophobicContact CE2-CG 4.37Å; Y184-R200 HydrophobicContact CG-CG 4.35Å; Y184-R200 VanDerWaalsContact CZ-CD 3.45Å; Y184-R200 WeakPolarHBondContact OH-CD 3.45Å; Y184-I233 HydrophobicContact CD1-CB 4.23Å; Y184-I233 HydrophobicContact CD1-CG1 3.83Å; Y184-I233 HydrophobicContact CD1-CG2 4.34Å; Y184-I233 HydrophobicContact CD2-CD1 4.43Å; Y184-I233 HydrophobicContact CD2-CG1 4.02Å; Y184-I233 HydrophobicContact CE1-CB 4.32Å; Y184-I233 HydrophobicContact CE1-CG1 3.63Å; Y184-I233 HydrophobicContact CE2-CD1 4.28Å; Y184-I233 HydrophobicContact CE2-CG1 3.86Å; Y184-I233 HydrophobicContact CG-CG1 4.01Å; Y184-I233 HydrophobicContact CG-CG2 4.36Å; Y184-F235 HydrophobicContact CD1-CZ 4.21Å; Y184-V258 HydrophobicContact CD1-CG2 4.37Å; Y184-V258 HydrophobicContact CE1-CG2 4.13Å; Y184-K260 WeakPolarHBondContact OH-CA 3.3Å; Y184-K260 PolarHBondContact OH-O 3.21Å; Y184-W274 HydrophobicContact CD1-CH2 4.18Å; Y184-W274 AromaticContact CE1-CH2 3.87Å; Y184-W274 HydrophobicContact CE1-CH2 3.87Å
185	S	98.8	Very high	96.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.9	-177.9	54.8	0	0	0	0	111.9	A164 V175 Y199	A164-S185 WeakPolarHBondContact O-CB 3.39Å; A164-S185 PolarHBondContact O-OG 2.95Å; V175-S185 CarbonylContact O-C 3.53Å; V175-S185 WeakPolarHBondContact O-CA 3.28Å; S185-Y199 PolarHBondContact N-O 3.26Å; S185-Y199 PolarHBondContact O-N 2.72Å
186	A	98.8	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	117.7	172.6	0	0	0	0	0	110.1	N174 V175 V197 I198 F223 F235	N174-A186 WeakPolarHBondContact CA-O 3.26Å; V175-A186 HydrophobicContact CB-CB 4.16Å; V175-A186 PolarHBondContact N-O 3.41Å; V175-A186 PolarHBondContact O-N 2.98Å; A186-V197 VanDerWaalsContact CA-O 3.26Å; A186-V197 WeakPolarHBondContact CA-O 3.47Å; A186-I198 HydrophobicContact CB-CG1 3.88Å; A186-F223 HydrophobicContact CB-CB 4.14Å; A186-F223 HydrophobicContact CB-CD1 3.51Å; A186-F223 HydrophobicContact CB-CD2 3.8Å; A186-F223 HydrophobicContact CB-CE1 3.75Å; A186-F223 HydrophobicContact CB-CE2 4.01Å; A186-F223 HydrophobicContact CB-CG 3.53Å; A186-F223 HydrophobicContact CB-CZ 3.99Å; A186-F235 HydrophobicContact CB-CD1 4.26Å; A186-F235 HydrophobicContact CB-CE1 4.33Å
187	T	98.6	Very high	97	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-161.9	-174.9	-172	0	0	0	0	108.9	A164 P167 A196 V197	A164-T187 WeakPolarHBondContact O-CG2 3.37Å; P167-T187 VanDerWaalsContact CA-OG1 3.31Å; P167-T187 WeakPolarHBondContact CA-OG1 3.41Å; P167-T187 WeakPolarHBondContact CB-OG1 3.42Å; T187-A196 WeakPolarHBondContact O-CA 3.45Å; T187-V197 PolarHBondContact N-O 3.37Å; T187-V197 VanDerWaalsContact N-O 3.17Å; T187-V197 WeakPolarHBondContact O-CG1 3.42Å; T187-V197 PolarHBondContact O-N 3.24Å
188	V	98.1	Very high	97.1	Very high	14 Å²	14	30.6 Å²	30.6	9%	0.085	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	150.1	173.7	-62.4	0	0	0	0	111.9	Y168 A193 D195 A196	Y168-V188 HydrophobicContact CD2-CG2 4.31Å; V188-A193 HydrophobicContact CB-CB 4.27Å; V188-A193 HydrophobicContact CG1-CB 4Å; V188-A193 HydrophobicContact CG2-CB 3.98Å; V188-D195 WeakPolarHBondContact CA-O 3.44Å; V188-A196 HydrophobicContact CG1-CB 4.22Å
189	T	97.4	Very high	97.1	Very high	16 Å²	16	30.8 Å²	30.8	10%	0.098	18%	0.178	C	C	.	.	S	Bend	trans	-94.1	-17.5	179.8	75.4	0	0	0	0	113.9	M163 A164 Y168 D195 V197	M163-T189 WeakPolarHBondContact CG-O 3.47Å; A164-T189 HydrophobicContact CB-CG2 3.96Å; Y168-T189 WeakPolarHBondContact CE2-O 3.23Å; Y168-T189 PolarHBondContact OH-O 3.44Å; T189-D195 WeakPolarHBondContact CG2-OD2 3.48Å; T189-D195 PolarHBondContact N-O 3.05Å; T189-D195 WeakPolarHBondContact OG1-CB 3.35Å; T189-D195 VanDerWaalsContact OG1-CG 3.28Å; T189-D195 PolarHBondContact OG1-OD2 3.42Å; T189-V197 HydrophobicContact CG2-CB 4.01Å; T189-V197 HydrophobicContact CG2-CG1 3.44Å; T189-V197 VanDerWaalsContact CG2-CG1 3.44Å
190	D	95.6	Very high	97.2	Very high	38 Å²	38	30.6 Å²	30.6	20%	0.203	18%	0.176	C	C	.	.	S	Bend	trans	-124.3	157.5	-169.8	68.7	-52	0	0	0	112.7	L192 A193 I194 D195	D190-L192 VanDerWaalsContact C-N 3.25Å; D190-L192 PolarHBondContact O-N 2.86Å; D190-L192 WeakPolarHBondContact OD2-CB 3.34Å; D190-A193 PolarHBondContact O-N 2.8Å; D190-A193 PolarHBondContact OD2-N 3.09Å; D190-I194 PolarHBondContact OD1-N 3.35Å; D190-I194 PolarHBondContact OD2-N 3.36Å; D190-D195 PolarHBondContact OD1-N 3.18Å
191	F	94.3	Very high	97.4	Very high	52 Å²	52	25.6 Å²	25.6	23%	0.228	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.1	-179.2	179	-89	0	0	0	113.1	K111 K113 F141 Y168 A193	K111-F191 HydrophobicContact CB-CE1 4.27Å; K111-F191 HydrophobicContact CB-CE2 4.23Å; K111-F191 HydrophobicContact CB-CZ 3.68Å; K111-F191 HydrophobicContact CD-CD2 4.14Å; K111-F191 HydrophobicContact CD-CE1 4.46Å; K111-F191 HydrophobicContact CD-CE2 3.78Å; K111-F191 HydrophobicContact CD-CZ 3.96Å; K111-F191 HydrophobicContact CG-CZ 4.43Å; K113-F191 HydrophobicContact CD-CZ 4.3Å; K113-F191 VanDerWaalsContact CE-CZ 3.48Å; K113-F191 HydrophobicContact CG-CE2 4.33Å; K113-F191 HydrophobicContact CG-CZ 3.86Å; F141-F191 HydrophobicContact CB-CD2 3.81Å; F141-F191 HydrophobicContact CB-CE2 3.53Å; F141-F191 AromaticContact CD1-CD2 3.91Å; F141-F191 HydrophobicContact CD1-CD2 3.91Å; F141-F191 AromaticContact CD1-CE2 3.55Å; F141-F191 HydrophobicContact CD1-CE2 3.55Å; F141-F191 HydrophobicContact CD1-CZ 4.24Å; F141-F191 HydrophobicContact CG-CD2 4.28Å; F141-F191 AromaticContact CG-CE2 3.77Å; F141-F191 HydrophobicContact CG-CE2 3.77Å; Y168-F191 HydrophobicContact CD1-CB 4.29Å; Y168-F191 HydrophobicContact CD1-CD2 4.23Å; Y168-F191 HydrophobicContact CE1-CB 4.4Å; F191-A193 PolarHBondContact O-N 2.74Å
192	L	95.2	Very high	97.4	Very high	126 Å²	126	25.5 Å²	25.5	66%	0.66	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.7	178.8	-60.8	175.2	0	0	0	112.8	D190 I194	D190-L192 VanDerWaalsContact C-N 3.25Å; D190-L192 PolarHBondContact O-N 2.86Å; D190-L192 WeakPolarHBondContact OD2-CB 3.34Å; L192-I194 VanDerWaalsContact C-N 3.27Å; L192-I194 HydrophobicContact CB-CD1 3.79Å; L192-I194 HydrophobicContact CB-CG1 3.89Å; L192-I194 HydrophobicContact CD1-CD1 3.99Å; L192-I194 PolarHBondContact O-N 2.95Å
193	A	94.9	Very high	97.1	Very high	35 Å²	35	26 Å²	26	29%	0.289	15%	0.15	S	C	.	.	S	Bend	trans	58.5	34.6	-179.7	0	0	0	0	0	114.2	H172 V188 D190 F191	H172-A193 VanDerWaalsContact CE1-CB 3.44Å; H172-A193 WeakPolarHBondContact CE1-CB 3.5Å; V188-A193 HydrophobicContact CB-CB 4.27Å; V188-A193 HydrophobicContact CG1-CB 4Å; V188-A193 HydrophobicContact CG2-CB 3.98Å; D190-A193 PolarHBondContact O-N 2.8Å; D190-A193 PolarHBondContact OD2-N 3.09Å; F191-A193 PolarHBondContact O-N 2.74Å
194	I	95.8	Very high	96.7	Very high	111 Å²	111	33.9 Å²	33.9	57%	0.569	19%	0.192	S	C	*	.			trans	-88.6	-40.2	179.4	-61.6	172.3	0	0	0	110.6	D190 L192 A196	D190-I194 PolarHBondContact OD1-N 3.35Å; D190-I194 PolarHBondContact OD2-N 3.36Å; L192-I194 VanDerWaalsContact C-N 3.27Å; L192-I194 HydrophobicContact CB-CD1 3.79Å; L192-I194 HydrophobicContact CB-CG1 3.89Å; L192-I194 HydrophobicContact CD1-CD1 3.99Å; L192-I194 PolarHBondContact O-N 2.95Å; I194-A196 PolarHBondContact O-N 2.97Å
195	D	97.3	Very high	96.4	Very high	7 Å²	7	35 Å²	35	4%	0.037	20%	0.199	C	C	.	.			trans	-91.3	76.8	-176.4	-177	30.1	0	0	0	111.1	V188 T189 D190 R209 K212	V188-D195 WeakPolarHBondContact CA-O 3.44Å; T189-D195 WeakPolarHBondContact CG2-OD2 3.48Å; T189-D195 PolarHBondContact N-O 3.05Å; T189-D195 WeakPolarHBondContact OG1-CB 3.35Å; T189-D195 VanDerWaalsContact OG1-CG 3.28Å; T189-D195 PolarHBondContact OG1-OD2 3.42Å; D190-D195 PolarHBondContact OD1-N 3.18Å; D195-R209 IonicContact OD1-NH2 3.99Å; D195-R209 PolarHBondContact OD1-NH2 3.32Å; D195-R209 IonicContact OD2-CZ 2.74Å; D195-R209 IonicContact OD2-NH1 2.83Å; D195-R209 PolarHBondContact OD2-NH1 3.31Å; D195-R209 IonicContact OD2-NH2 3.5Å; D195-R209 PolarHBondContact OD2-NH2 2.99Å; D195-K212 WeakPolarHBondContact OD1-CG 3.45Å; D195-K212 WeakPolarHBondContact OD2-CE 2.85Å
196	A	98.4	Very high	96.3	Very high	20 Å²	20	37.1 Å²	37.1	17%	0.165	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.4	169.9	0	0	0	0	0	111.3	T187 V188 I194 P221 F223	T187-A196 WeakPolarHBondContact O-CA 3.45Å; V188-A196 HydrophobicContact CG1-CB 4.22Å; I194-A196 PolarHBondContact O-N 2.97Å; A196-P221 HydrophobicContact CB-CG 3.51Å; A196-F223 HydrophobicContact CB-CE2 4.33Å; A196-F223 HydrophobicContact CB-CZ 4.39Å
197	V	98.8	Very high	96.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.6	-169.2	68.8	0	0	0	0	111.8	A164 A186 T187 T189 R209	A164-V197 HydrophobicContact CB-CG1 3.94Å; A186-V197 VanDerWaalsContact CA-O 3.26Å; A186-V197 WeakPolarHBondContact CA-O 3.47Å; T187-V197 PolarHBondContact N-O 3.37Å; T187-V197 VanDerWaalsContact N-O 3.17Å; T187-V197 WeakPolarHBondContact O-CG1 3.42Å; T187-V197 PolarHBondContact O-N 3.24Å; T189-V197 HydrophobicContact CG2-CB 4.01Å; T189-V197 HydrophobicContact CG2-CG1 3.44Å; T189-V197 VanDerWaalsContact CG2-CG1 3.44Å; V197-R209 HydrophobicContact CG2-CB 3.77Å
198	I	98.9	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.1	156.3	-68	163.7	0	0	0	107.3	A186 R209 T210 L218 F223 F235 F237 W274 F277	A186-I198 HydrophobicContact CB-CG1 3.88Å; I198-R209 WeakPolarHBondContact O-CA 3.36Å; I198-T210 HydrophobicContact CB-CG2 3.77Å; I198-T210 PolarHBondContact N-OG1 2.98Å; I198-T210 PolarHBondContact O-N 3.29Å; I198-T210 VanDerWaalsContact O-N 3.08Å; I198-L218 HydrophobicContact CD1-CD2 4.28Å; I198-L218 HydrophobicContact CG1-CD1 4.41Å; I198-F223 HydrophobicContact CD1-CE1 4.17Å; I198-F223 HydrophobicContact CG1-CE1 3.78Å; I198-F223 HydrophobicContact CG1-CZ 4.3Å; I198-F235 HydrophobicContact CD1-CB 4.16Å; I198-F235 HydrophobicContact CD1-CD1 4.46Å; I198-F235 HydrophobicContact CD1-CD2 4.46Å; I198-F235 HydrophobicContact CD1-CG 4.13Å; I198-F235 HydrophobicContact CG1-CD1 4.36Å; I198-F235 HydrophobicContact CG1-CG 4.49Å; I198-F235 HydrophobicContact CG2-CD1 4.18Å; I198-F235 HydrophobicContact CG2-CD2 4Å; I198-F235 HydrophobicContact CG2-CE1 3.79Å; I198-F235 HydrophobicContact CG2-CE2 3.58Å; I198-F235 HydrophobicContact CG2-CG 4.27Å; I198-F235 HydrophobicContact CG2-CZ 3.45Å; I198-F235 VanDerWaalsContact CG2-CZ 3.45Å; I198-F237 HydrophobicContact CD1-CE1 4.38Å; I198-W274 PolarHBondContact O-NE1 3.35Å; I198-F277 HydrophobicContact CD1-CE2 3.72Å; I198-F277 HydrophobicContact CD1-CZ 4.48Å
199	Y	98.8	Very high	96.3	Very high	37 Å²	37	42.2 Å²	42.2	15%	0.145	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.4	-164.7	-171	-118.2	0	0	0	111.3	A164 Y184 S185 S201 T207 L208 R209	A164-Y199 HydrophobicContact CB-CD1 3.64Å; A164-Y199 HydrophobicContact CB-CD2 4.29Å; A164-Y199 HydrophobicContact CB-CE1 4.03Å; A164-Y199 HydrophobicContact CB-CG 3.77Å; Y184-Y199 WeakPolarHBondContact CA-O 3.36Å; S185-Y199 PolarHBondContact N-O 3.26Å; S185-Y199 PolarHBondContact O-N 2.72Å; Y199-S201 VanDerWaalsContact CE1-CB 3.43Å; Y199-T207 WeakPolarHBondContact OH-CB 3.5Å; Y199-T207 WeakPolarHBondContact OH-CG2 3.44Å; Y199-L208 CarbonylContact C-O 3.56Å; Y199-L208 WeakPolarHBondContact CA-O 3.48Å; Y199-L208 WeakPolarHBondContact CD2-O 3.32Å; Y199-R209 HydrophobicContact CD2-CB 3.84Å; Y199-R209 HydrophobicContact CE2-CB 4.34Å
200	R	98.7	Very high	96.3	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.9	166.1	-172.6	-168.4	73.9	-165.7	-2.4	110.1	K182 L183 Y184 P206 T207 L208 K260 D262 W274	K182-R200 HydrophobicContact CB-CG 4.08Å; L183-R200 VanDerWaalsContact O-CA 3.26Å; L183-R200 WeakPolarHBondContact O-CA 3.28Å; Y184-R200 HydrophobicContact CD1-CB 4.14Å; Y184-R200 HydrophobicContact CD1-CG 4.01Å; Y184-R200 HydrophobicContact CE1-CB 4.24Å; Y184-R200 VanDerWaalsContact CE1-CD 3.46Å; Y184-R200 HydrophobicContact CE1-CG 3.85Å; Y184-R200 HydrophobicContact CE2-CG 4.37Å; Y184-R200 HydrophobicContact CG-CG 4.35Å; Y184-R200 VanDerWaalsContact CZ-CD 3.45Å; Y184-R200 WeakPolarHBondContact OH-CD 3.45Å; R200-P206 PolarHBondContact NH2-O 2.86Å; R200-T207 VanDerWaalsContact O-CA 3.25Å; R200-T207 WeakPolarHBondContact O-CA 3.31Å; R200-L208 PolarHBondContact N-O 3.48Å; R200-L208 VanDerWaalsContact NH2-CD1 3.32Å; R200-L208 PolarHBondContact O-N 3Å; R200-K260 PolarHBondContact NH1-O 3.43Å; R200-D262 PolarHBondContact NH1-O 2.86Å; R200-D262 PolarHBondContact NH2-O 2.86Å; R200-W274 HydrophobicContact CB-CH2 3.32Å; R200-W274 HydrophobicContact CB-CZ2 3.5Å; R200-W274 HydrophobicContact CB-CZ3 4.47Å; R200-W274 HydrophobicContact CG-CH2 4.15Å
201	S	97.8	Very high	96.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	-179.6	174.2	64.1	0	0	0	0	111.2	R165 L183 Y199	R165-S201 PolarHBondContact NE-OG 3.16Å; R165-S201 VanDerWaalsContact NH2-CB 3.32Å; R165-S201 PolarHBondContact NH2-OG 2.81Å; R165-S201 VanDerWaalsContact NH2-OG 3.1Å; L183-S201 PolarHBondContact N-O 2.82Å; L183-S201 PolarHBondContact O-N 2.98Å; Y199-S201 VanDerWaalsContact CE1-CB 3.43Å
202	L	95.1	Very high	96.6	Very high	48 Å²	48	43.2 Å²	43.2	25%	0.251	24%	0.241	S	C	.	.	S	Bend	trans	61.6	172.2	-174.9	-46.1	-177.7	0	0	0	112	F134 I160 F178 L183	F134-L202 HydrophobicContact CE2-CD1 3.89Å; F134-L202 HydrophobicContact CZ-CD1 3.92Å; I160-L202 HydrophobicContact CD1-CD1 4.45Å; I160-L202 HydrophobicContact CD1-CD2 3.94Å; F178-L202 HydrophobicContact CE1-CD1 4.32Å; F178-L202 HydrophobicContact CZ-CD1 4.13Å; L183-L202 HydrophobicContact CB-CB 4.37Å; L183-L202 HydrophobicContact CB-CD1 3.96Å; L183-L202 HydrophobicContact CB-CG 4.22Å; L183-L202 HydrophobicContact CD2-CD1 4.06Å
203	G	90.4	Very high	96.5	Very high	38 Å²	38	43.8 Å²	43.8	39%	0.392	24%	0.24	S	C	.	.	S	Bend	trans	67.8	170.2	-165.9	0	0	0	0	0	112	G181 S205	G181-G203 PolarHBondContact O-N 3.35Å; G203-S205 PolarHBondContact O-N 3.38Å
204	D	90.6	Very high	96.6	Very high	166 Å²	166	43.9 Å²	43.9	89%	0.888	24%	0.235	S	C	*	.	S	Bend	trans	-77.1	56	178.1	-61.1	-34.9	0	0	0	110.9	R263	D204-R263 PolarHBondContact O-NH1 3.18Å
205	S	92.6	Very high	96.6	Very high	22 Å²	22	41.2 Å²	41.2	15%	0.154	23%	0.227	C	C	.	.	S	Bend	trans	-144.3	147.2	-174.6	-73.1	0	0	0	0	111.8	K182 G203	K182-S205 VanDerWaalsContact CE-OG 3.26Å; K182-S205 WeakPolarHBondContact CE-OG 3.31Å; G203-S205 PolarHBondContact O-N 3.38Å
206	P	95.5	Very high	96.5	Very high	46 Å²	46	43.7 Å²	43.7	30%	0.299	24%	0.237	S	C	.	.			trans	-62.6	146.4	178.5	27.1	-34.1	0	0	0	110.4	R200 R263	R200-P206 PolarHBondContact NH2-O 2.86Å; P206-R263 HydrophobicContact CG-CB 4.38Å; P206-R263 WeakPolarHBondContact CG-O 3.23Å
207	T	97.9	Very high	96.5	Very high	63 Å²	63	42.8 Å²	42.8	39%	0.387	23%	0.229	S	C	.	.			trans	-69.2	133.1	171.2	55.2	0	0	0	0	109.5	Y199 R200	Y199-T207 WeakPolarHBondContact OH-CB 3.5Å; Y199-T207 WeakPolarHBondContact OH-CG2 3.44Å; R200-T207 VanDerWaalsContact O-CA 3.25Å; R200-T207 WeakPolarHBondContact O-CA 3.31Å
208	L	98.7	Very high	96.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.5	-179.2	-63.3	-179.2	0	0	0	110.1	Y199 R200 D262 W274	Y199-L208 CarbonylContact C-O 3.56Å; Y199-L208 WeakPolarHBondContact CA-O 3.48Å; Y199-L208 WeakPolarHBondContact CD2-O 3.32Å; R200-L208 PolarHBondContact N-O 3.48Å; R200-L208 VanDerWaalsContact NH2-CD1 3.32Å; R200-L208 PolarHBondContact O-N 3Å; L208-D262 HydrophobicContact CD1-CB 3.85Å; L208-D262 WeakPolarHBondContact CD1-O 3.24Å; L208-W274 HydrophobicContact CB-CD2 3.85Å; L208-W274 HydrophobicContact CB-CE3 3.9Å; L208-W274 HydrophobicContact CB-CH2 4.05Å; L208-W274 HydrophobicContact CB-CZ2 3.95Å; L208-W274 HydrophobicContact CB-CZ3 4.01Å; L208-W274 HydrophobicContact CD1-CD2 4.29Å; L208-W274 HydrophobicContact CD1-CE3 3.53Å; L208-W274 HydrophobicContact CD1-CH2 4.3Å; L208-W274 HydrophobicContact CD1-CZ3 3.55Å; L208-W274 HydrophobicContact CG-CE3 4.38Å; L208-W274 HydrophobicContact CG-CZ3 4.41Å
209	R	98.7	Very high	96.4	Very high	60 Å²	60	45.3 Å²	45.3	23%	0.226	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	159.7	177.8	64.7	174.2	-67	155.2	2.3	112.3	D195 V197 I198 Y199 K272 Q273 W274	D195-R209 IonicContact OD1-NH2 3.99Å; D195-R209 PolarHBondContact OD1-NH2 3.32Å; D195-R209 IonicContact OD2-CZ 2.74Å; D195-R209 IonicContact OD2-NH1 2.83Å; D195-R209 PolarHBondContact OD2-NH1 3.31Å; D195-R209 IonicContact OD2-NH2 3.5Å; D195-R209 PolarHBondContact OD2-NH2 2.99Å; V197-R209 HydrophobicContact CG2-CB 3.77Å; I198-R209 WeakPolarHBondContact O-CA 3.36Å; Y199-R209 HydrophobicContact CD2-CB 3.84Å; Y199-R209 HydrophobicContact CE2-CB 4.34Å; R209-K272 PolarHBondContact N-O 2.82Å; R209-Q273 VanDerWaalsContact O-CA 3.28Å; R209-Q273 WeakPolarHBondContact O-CA 3.32Å; R209-W274 PolarHBondContact O-N 3.17Å
210	T	98.8	Very high	96.3	Very high	1 Å²	1	50 Å²	50	1%	0.006	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-65.8	153.4	162.7	50	0	0	0	0	110.8	I198 K212 W217 L218 F277	I198-T210 HydrophobicContact CB-CG2 3.77Å; I198-T210 PolarHBondContact N-OG1 2.98Å; I198-T210 PolarHBondContact O-N 3.29Å; I198-T210 VanDerWaalsContact O-N 3.08Å; T210-K212 PolarHBondContact O-N 3.09Å; T210-W217 HydrophobicContact CG2-CE3 3.77Å; T210-W217 HydrophobicContact CG2-CZ3 4.12Å; T210-L218 HydrophobicContact CG2-CD1 4.12Å; T210-F277 HydrophobicContact CG2-CD2 4.17Å; T210-F277 HydrophobicContact CG2-CE2 4.19Å; T210-F277 HydrophobicContact CG2-CG 4.49Å
211	V	98.4	Very high	96.3	Very high	20 Å²	20	51 Å²	51	12%	0.121	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-61	125.6	179.2	-177.1	0	0	0	0	109.5	D214 W217 L270	V211-D214 HydrophobicContact CB-CB 4.01Å; V211-D214 HydrophobicContact CG1-CB 3.79Å; V211-W217 HydrophobicContact CB-CD2 4.01Å; V211-W217 HydrophobicContact CB-CE3 4.48Å; V211-W217 HydrophobicContact CB-CG 4.19Å; V211-W217 HydrophobicContact CG2-CD2 3.79Å; V211-W217 HydrophobicContact CG2-CE3 4.19Å; V211-W217 HydrophobicContact CG2-CG 4.4Å; V211-W217 HydrophobicContact CG2-CH2 3.84Å; V211-W217 HydrophobicContact CG2-CZ2 3.43Å; V211-W217 VanDerWaalsContact CG2-CZ2 3.43Å; V211-W217 HydrophobicContact CG2-CZ3 4.2Å; V211-L270 HydrophobicContact CG2-CD2 3.85Å
212	K	96.9	Very high	96.4	Very high	106 Å²	106	55.7 Å²	55.7	46%	0.461	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	136.6	-177.5	-171.9	174.2	-172.8	-169.9	0	110.3	D195 T210 D214	D195-K212 WeakPolarHBondContact OD1-CG 3.45Å; D195-K212 WeakPolarHBondContact OD2-CE 2.85Å; T210-K212 PolarHBondContact O-N 3.09Å; K212-D214 PolarHBondContact O-N 3.39Å
213	H	94.3	Very high	96.5	Very high	138 Å²	138	53.9 Å²	53.9	64%	0.639	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	21.8	178.7	-54.2	-50.7	0	0	0	115.5
214	D	96.3	Very high	96.9	Very high	37 Å²	37	53.2 Å²	53.2	20%	0.198	27%	0.268	C	S	.	.			trans	-101.5	105.6	172.8	-166.7	-29.9	0	0	0	110.7	V211 K212 K216 W217 L218	V211-D214 HydrophobicContact CB-CB 4.01Å; V211-D214 HydrophobicContact CG1-CB 3.79Å; K212-D214 PolarHBondContact O-N 3.39Å; D214-K216 PolarHBondContact O-N 2.9Å; D214-K216 VanDerWaalsContact OD1-CB 3.26Å; D214-K216 WeakPolarHBondContact OD1-CB 3.41Å; D214-K216 PolarHBondContact OD1-N 3.31Å; D214-W217 HydrophobicContact CB-CB 4.42Å; D214-W217 HydrophobicContact CB-CG 4.37Å; D214-W217 WeakPolarHBondContact O-CB 3.17Å; D214-W217 PolarHBondContact O-N 2.68Å; D214-W217 VanDerWaalsContact O-N 3.1Å; D214-L218 PolarHBondContact O-N 2.86Å
215	S	95.4	Very high	97.3	Very high	55 Å²	55	47.6 Å²	47.6	39%	0.385	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.4	-179.9	-68.7	0	0	0	0	113.4	W217	S215-W217 PolarHBondContact O-N 3.33Å
216	K	95.4	Very high	97.6	Very high	60 Å²	60	46.6 Å²	46.6	26%	0.261	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-34.4	174.3	-63.6	-178.5	175.5	-175.7	0	110.3	D214 M242 K279 P397	D214-K216 PolarHBondContact O-N 2.9Å; D214-K216 VanDerWaalsContact OD1-CB 3.26Å; D214-K216 WeakPolarHBondContact OD1-CB 3.41Å; D214-K216 PolarHBondContact OD1-N 3.31Å; K216-M242 VanDerWaalsContact CA-SD 3.6Å; K216-M242 HydrophobicContact CB-SD 4.41Å; K216-M242 HydrophobicContact CG-CE 4.04Å; K216-M242 HydrophobicContact CG-SD 4.03Å; K216-M242 PolarHBondContact N-SD 2.88Å; K216-K279 WeakPolarHBondContact O-CE 3.19Å; K216-K279 PolarHBondContact O-NZ 3.11Å; K216-P397 HydrophobicContact CB-CG 3.97Å; K216-P397 VanDerWaalsContact O-CG 3.23Å; K216-P397 WeakPolarHBondContact O-CG 3.5Å
217	W	98.1	Very high	97.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-56.7	177.2	-75.4	61.6	0	0	0	111.6	T210 V211 D214 S215 L270 W274 F277 K279 K394 P397	T210-W217 HydrophobicContact CG2-CE3 3.77Å; T210-W217 HydrophobicContact CG2-CZ3 4.12Å; V211-W217 HydrophobicContact CB-CD2 4.01Å; V211-W217 HydrophobicContact CB-CE3 4.48Å; V211-W217 HydrophobicContact CB-CG 4.19Å; V211-W217 HydrophobicContact CG2-CD2 3.79Å; V211-W217 HydrophobicContact CG2-CE3 4.19Å; V211-W217 HydrophobicContact CG2-CG 4.4Å; V211-W217 HydrophobicContact CG2-CH2 3.84Å; V211-W217 HydrophobicContact CG2-CZ2 3.43Å; V211-W217 VanDerWaalsContact CG2-CZ2 3.43Å; V211-W217 HydrophobicContact CG2-CZ3 4.2Å; D214-W217 HydrophobicContact CB-CB 4.42Å; D214-W217 HydrophobicContact CB-CG 4.37Å; D214-W217 WeakPolarHBondContact O-CB 3.17Å; D214-W217 PolarHBondContact O-N 2.68Å; D214-W217 VanDerWaalsContact O-N 3.1Å; S215-W217 PolarHBondContact O-N 3.33Å; W217-L270 HydrophobicContact CH2-CD2 4.13Å; W217-L270 HydrophobicContact CZ2-CD2 3.89Å; W217-W274 HydrophobicContact CH2-CB 4.27Å; W217-W274 WeakPolarHBondContact CH2-O 3.46Å; W217-W274 HydrophobicContact CZ3-CB 4.06Å; W217-F277 HydrophobicContact CB-CE1 4.34Å; W217-F277 AromaticContact CD2-CD1 3.93Å; W217-F277 HydrophobicContact CD2-CD1 3.93Å; W217-F277 HydrophobicContact CD2-CE1 4.29Å; W217-F277 HydrophobicContact CE3-CB 4.2Å; W217-F277 AromaticContact CE3-CD1 3.38Å; W217-F277 HydrophobicContact CE3-CD1 3.38Å; W217-F277 AromaticContact CE3-CE1 3.9Å; W217-F277 HydrophobicContact CE3-CE1 3.9Å; W217-F277 AromaticContact CE3-CG 3.86Å; W217-F277 HydrophobicContact CE3-CG 3.86Å; W217-F277 HydrophobicContact CH2-CB 4.07Å; W217-F277 HydrophobicContact CH2-CD1 4.44Å; W217-F277 HydrophobicContact CZ3-CB 3.58Å; W217-F277 AromaticContact CZ3-CD1 3.69Å; W217-F277 HydrophobicContact CZ3-CD1 3.69Å; W217-F277 AromaticContact CZ3-CG 3.76Å; W217-F277 HydrophobicContact CZ3-CG 3.76Å; W217-K279 PolarHBondContact O-NZ 2.7Å; W217-K394 PolarHBondContact NE1-O 2.94Å; W217-P397 HydrophobicContact CG-CG 4.48Å
218	L	98.4	Very high	97.7	Very high	18 Å²	18	44.7 Å²	44.7	9%	0.094	21%	0.214	C	C	.	.			trans	-145.6	125	179.8	-67.4	174.1	0	0	0	110.2	I198 T210 D214 P221 F223 F237 F277	I198-L218 HydrophobicContact CD1-CD2 4.28Å; I198-L218 HydrophobicContact CG1-CD1 4.41Å; T210-L218 HydrophobicContact CG2-CD1 4.12Å; D214-L218 PolarHBondContact O-N 2.86Å; L218-P221 HydrophobicContact CB-CG 4.13Å; L218-P221 HydrophobicContact CD1-CG 4.42Å; L218-P221 HydrophobicContact CD2-CB 4.24Å; L218-P221 HydrophobicContact CD2-CG 4.29Å; L218-F223 HydrophobicContact CD1-CZ 4.23Å; L218-F223 HydrophobicContact CD2-CE1 4.47Å; L218-F237 HydrophobicContact CD2-CD2 4.43Å; L218-F237 HydrophobicContact CD2-CE1 4.48Å; L218-F237 HydrophobicContact CD2-CE2 3.66Å; L218-F237 HydrophobicContact CD2-CZ 3.69Å; L218-F277 HydrophobicContact CD2-CZ 4.33Å
219	K	97.6	Very high	97.7	Very high	36 Å²	36	48 Å²	48	16%	0.157	23%	0.227	C	C	.	.	S	Bend	trans	-121.3	97.5	177.4	-167.9	178.4	177.8	178.5	0	111.7	E239 I240 M242 N245	K219-E239 PolarHBondContact N-OE2 3.45Å; K219-E239 VanDerWaalsContact N-OE2 3.12Å; K219-E239 WeakPolarHBondContact O-CB 3.29Å; K219-I240 HydrophobicContact CB-CB 4.38Å; K219-I240 HydrophobicContact CD-CB 3.91Å; K219-I240 HydrophobicContact CD-CG2 3.93Å; K219-I240 HydrophobicContact CG-CB 3.97Å; K219-I240 HydrophobicContact CG-CD1 4.42Å; K219-I240 PolarHBondContact O-N 3.18Å; K219-M242 HydrophobicContact CD-CG 3.73Å; K219-N245 PolarHBondContact NZ-OD1 2.99Å
220	E	97.3	Very high	97.6	Very high	134 Å²	134	47.5 Å²	47.5	63%	0.626	24%	0.241	S	C	*	.	S	Bend	trans	48.1	59.3	-175.1	-65.4	175.6	-137.3	0	0	112.5	I240 K249	E220-I240 HydrophobicContact CB-CD1 3.84Å; E220-I240 HydrophobicContact CB-CG1 4.28Å; E220-I240 HydrophobicContact CG-CD1 3.98Å; E220-I240 WeakPolarHBondContact OE1-CD1 3.44Å; E220-I240 WeakPolarHBondContact OE2-CD1 3.27Å; E220-K249 IonicContact OE1-NZ 2.71Å; E220-K249 IonicContact OE2-NZ 2.91Å; E220-K249 PolarHBondContact OE2-NZ 2.54Å
221	P	98.5	Very high	97.5	Very high	22 Å²	22	52.1 Å²	52.1	14%	0.143	27%	0.266	C	S	.	.			trans	-74.6	149.6	-176.3	34.4	-38	0	0	0	112.2	A196 L218 F223 F237 R238 E239	A196-P221 HydrophobicContact CB-CG 3.51Å; L218-P221 HydrophobicContact CB-CG 4.13Å; L218-P221 HydrophobicContact CD1-CG 4.42Å; L218-P221 HydrophobicContact CD2-CB 4.24Å; L218-P221 HydrophobicContact CD2-CG 4.29Å; P221-F223 HydrophobicContact CB-CD1 4.48Å; P221-F223 HydrophobicContact CB-CE1 3.93Å; P221-F223 HydrophobicContact CB-CZ 4Å; P221-F223 HydrophobicContact CG-CE1 3.99Å; P221-F223 HydrophobicContact CG-CE2 4.06Å; P221-F223 HydrophobicContact CG-CZ 3.54Å; P221-F237 HydrophobicContact CB-CD2 3.85Å; P221-F237 HydrophobicContact CB-CE2 4.3Å; P221-R238 CarbonylContact C-O 3.54Å; P221-R238 VanDerWaalsContact CA-O 3.29Å; P221-R238 WeakPolarHBondContact CA-O 3.41Å; P221-E239 HydrophobicContact CB-CB 4.31Å
222	Y	98.7	Very high	97.5	Very high	100 Å²	100	52.6 Å²	52.6	39%	0.392	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	109.8	163.1	-175.1	-77.8	0	0	0	108.3	A173 V224 F237 R238	A173-Y222 HydrophobicContact CB-CD1 4.21Å; A173-Y222 HydrophobicContact CB-CD2 4.43Å; A173-Y222 HydrophobicContact CB-CE1 3.59Å; A173-Y222 HydrophobicContact CB-CE2 3.85Å; Y222-V224 HydrophobicContact CD1-CG2 3.98Å; Y222-V224 HydrophobicContact CE1-CG2 4.3Å; Y222-F237 WeakPolarHBondContact O-CA 3.45Å; Y222-F237 VanDerWaalsContact O-CB 3.28Å; Y222-F237 WeakPolarHBondContact O-CB 3.47Å; Y222-R238 VanDerWaalsContact CD1-NH2 3.28Å; Y222-R238 VanDerWaalsContact CE1-NH1 3.29Å; Y222-R238 VanDerWaalsContact CG-CZ 3.46Å; Y222-R238 PolarHBondContact N-O 2.73Å; Y222-R238 PolarHBondContact O-N 3.38Å
223	F	98.7	Very high	97.5	Very high	9 Å²	9	47.6 Å²	47.6	4%	0.039	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	137.4	-176.7	-55.5	-66.7	0	0	0	111.4	A173 V175 A186 A196 I198 L218 P221 F237	A173-F223 VanDerWaalsContact CB-O 3.3Å; A173-F223 WeakPolarHBondContact CB-O 3.41Å; V175-F223 HydrophobicContact CG2-CB 3.82Å; A186-F223 HydrophobicContact CB-CB 4.14Å; A186-F223 HydrophobicContact CB-CD1 3.51Å; A186-F223 HydrophobicContact CB-CD2 3.8Å; A186-F223 HydrophobicContact CB-CE1 3.75Å; A186-F223 HydrophobicContact CB-CE2 4.01Å; A186-F223 HydrophobicContact CB-CG 3.53Å; A186-F223 HydrophobicContact CB-CZ 3.99Å; A196-F223 HydrophobicContact CB-CE2 4.33Å; A196-F223 HydrophobicContact CB-CZ 4.39Å; I198-F223 HydrophobicContact CD1-CE1 4.17Å; I198-F223 HydrophobicContact CG1-CE1 3.78Å; I198-F223 HydrophobicContact CG1-CZ 4.3Å; L218-F223 HydrophobicContact CD1-CZ 4.23Å; L218-F223 HydrophobicContact CD2-CE1 4.47Å; P221-F223 HydrophobicContact CB-CD1 4.48Å; P221-F223 HydrophobicContact CB-CE1 3.93Å; P221-F223 HydrophobicContact CB-CZ 4Å; P221-F223 HydrophobicContact CG-CE1 3.99Å; P221-F223 HydrophobicContact CG-CE2 4.06Å; P221-F223 HydrophobicContact CG-CZ 3.54Å; F223-F237 HydrophobicContact CD1-CB 3.86Å; F223-F237 HydrophobicContact CD1-CG 4.28Å
224	V	98.6	Very high	97.8	Very high	24 Å²	24	41.2 Å²	41.2	15%	0.145	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-50.9	-172.6	177.5	0	0	0	0	112.1	Y222 F236 L297 Q298 A299 V300	Y222-V224 HydrophobicContact CD1-CG2 3.98Å; Y222-V224 HydrophobicContact CE1-CG2 4.3Å; V224-F236 WeakPolarHBondContact CB-O 3.44Å; V224-F236 PolarHBondContact N-O 2.87Å; V224-L297 HydrophobicContact CB-CD2 3.98Å; V224-L297 HydrophobicContact CB-CG 4.37Å; V224-L297 HydrophobicContact CG1-CD2 4.2Å; V224-L297 HydrophobicContact CG1-CG 4.19Å; V224-L297 HydrophobicContact CG2-CD2 3.9Å; V224-L297 HydrophobicContact CG2-CG 4.05Å; V224-Q298 WeakPolarHBondContact CG1-O 3Å; V224-A299 VanDerWaalsContact CG1-CA 3.47Å; V224-V300 HydrophobicContact CG1-CG2 4.22Å
225	Q	98.6	Very high	97.9	Very high	48 Å²	48	39.5 Å²	39.5	22%	0.224	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	160.3	-177.2	178.4	57.9	-32.4	0	0	111.5	V227 F236 V300 D302	Q225-V227 HydrophobicContact CG-CG1 4.18Å; Q225-F236 HydrophobicContact CB-CB 4.36Å; Q225-F236 PolarHBondContact N-O 2.59Å; Q225-F236 VanDerWaalsContact N-O 3.14Å; Q225-F236 PolarHBondContact O-N 2.85Å; Q225-V300 HydrophobicContact CB-CB 3.87Å; Q225-V300 HydrophobicContact CB-CG2 4.43Å; Q225-V300 HydrophobicContact CG-CB 4.08Å; Q225-D302 PolarHBondContact NE2-OD1 3.07Å
226	A	98.6	Very high	98.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148	159.8	0	0	0	0	0	111.2	V175 L177 I233 Y234 F235	V175-A226 HydrophobicContact CG1-CB 3.39Å; L177-A226 HydrophobicContact CD2-CB 4.25Å; A226-I233 HydrophobicContact CB-CG2 4.29Å; A226-Y234 CarbonylContact C-O 3.55Å; A226-Y234 WeakPolarHBondContact CA-O 3.42Å; A226-Y234 WeakPolarHBondContact CB-O 3.49Å; A226-F235 HydrophobicContact CB-CD1 3.73Å; A226-F235 HydrophobicContact CB-CE1 3.96Å; A226-F235 HydrophobicContact CB-CG 4.28Å
227	V	98.5	Very high	98.2	Very high	3 Å²	3	34 Å²	34	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.6	178	-53.6	0	0	0	0	111	Q225 Y234 F236 V303	Q225-V227 HydrophobicContact CG-CG1 4.18Å; V227-Y234 HydrophobicContact CG2-CD2 4.46Å; V227-Y234 PolarHBondContact N-O 2.86Å; V227-Y234 PolarHBondContact O-N 3.32Å; V227-F236 HydrophobicContact CG1-CE2 4.28Å; V227-F236 HydrophobicContact CG2-CE2 3.88Å; V227-V303 HydrophobicContact CB-CG2 4.07Å; V227-V303 HydrophobicContact CG2-CG2 3.92Å
228	N	98.1	Very high	98.3	Very high	67 Å²	67	35.1 Å²	35.1	36%	0.358	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	112.9	176	176.2	3	0	0	0	109.2	L177 A179 I233 K260	L177-N228 HydrophobicContact CD2-CB 4.11Å; A179-N228 WeakPolarHBondContact CB-ND2 3.33Å; N228-I233 HydrophobicContact CB-CD1 3.93Å; N228-K260 WeakPolarHBondContact OD1-CE 3.5Å; N228-K260 PolarHBondContact OD1-NZ 3.03Å
229	Y	97.9	Very high	98.3	Very high	68 Å²	68	34.4 Å²	34.4	27%	0.267	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	125.8	-177.1	-171.7	-101.1	0	0	0	113	D231 F232 Y234 V303 D310 M333	Y229-D231 PolarHBondContact O-N 2.93Å; Y229-F232 PolarHBondContact N-O 3.03Å; Y229-F232 VanDerWaalsContact N-O 3.13Å; Y229-F232 PolarHBondContact O-N 3.23Å; Y229-F232 VanDerWaalsContact O-N 3.17Å; Y229-Y234 HydrophobicContact CD1-CE2 4.16Å; Y229-V303 HydrophobicContact CD2-CG1 4.02Å; Y229-V303 HydrophobicContact CD2-CG2 4.07Å; Y229-V303 HydrophobicContact CE2-CG1 4.11Å; Y229-V303 HydrophobicContact CG-CG2 4.43Å; Y229-D310 HydrophobicContact CE2-CB 3.8Å; Y229-D310 VanDerWaalsContact CE2-OD2 3.26Å; Y229-D310 WeakPolarHBondContact CE2-OD2 3.47Å; Y229-D310 PolarHBondContact OH-OD2 2.84Å; Y229-M333 HydrophobicContact CD1-CB 4.05Å; Y229-M333 HydrophobicContact CD1-CE 3.85Å; Y229-M333 HydrophobicContact CD1-CG 4.43Å; Y229-M333 HydrophobicContact CE1-CB 3.63Å; Y229-M333 HydrophobicContact CE1-CG 4.37Å; Y229-M333 HydrophobicContact CE2-CB 4.44Å; Y229-M333 HydrophobicContact CG-CE 4.08Å
230	G	96	Very high	98.3	Very high	50 Å²	50	33 Å²	33	52%	0.515	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-134	-176.6	0	0	0	0	0	112	F232 K260	G230-F232 PolarHBondContact O-N 2.89Å; G230-K260 WeakPolarHBondContact O-CE 3.41Å; G230-K260 PolarHBondContact O-NZ 2.87Å
231	D	96.3	Very high	98.2	Very high	99 Å²	99	26.7 Å²	26.7	53%	0.529	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	3.1	178	-62.8	-40.7	0	0	0	114.1	Y229 K260	Y229-D231 PolarHBondContact O-N 2.93Å; D231-K260 WeakPolarHBondContact O-CG 3.46Å; D231-K260 PolarHBondContact O-N 2.97Å
232	F	98.5	Very high	97.9	Very high	30 Å²	30	27.5 Å²	27.5	13%	0.132	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	157.3	-168.4	-59	-87.3	0	0	0	112.9	Y229 G230 Y234 R257 V258 C259 K260 C370	Y229-F232 PolarHBondContact N-O 3.03Å; Y229-F232 VanDerWaalsContact N-O 3.13Å; Y229-F232 PolarHBondContact O-N 3.23Å; Y229-F232 VanDerWaalsContact O-N 3.17Å; G230-F232 PolarHBondContact O-N 2.89Å; F232-Y234 HydrophobicContact CB-CD2 4.25Å; F232-Y234 HydrophobicContact CB-CE2 3.71Å; F232-R257 HydrophobicContact CB-CB 4.43Å; F232-R257 HydrophobicContact CD1-CB 4.19Å; F232-R257 HydrophobicContact CD1-CG 4.11Å; F232-R257 HydrophobicContact CE1-CG 4.43Å; F232-V258 CarbonylContact C-O 3.43Å; F232-V258 VanDerWaalsContact CA-O 3.23Å; F232-V258 WeakPolarHBondContact CA-O 3.42Å; F232-C259 VanDerWaalsContact CE1-SG 3.51Å; F232-K260 WeakPolarHBondContact O-CE 3.03Å; F232-C370 WeakPolarHBondContact CE1-SG 3.48Å; F232-C370 WeakPolarHBondContact CZ-SG 3.43Å
233	I	98.8	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.4	158.4	-55.1	-56.9	0	0	0	107.5	L177 A179 Y184 A226 N228 F235 R257 V258 K260	L177-I233 HydrophobicContact CD2-CD1 4.39Å; L177-I233 HydrophobicContact CD2-CG2 4.14Å; A179-I233 HydrophobicContact CB-CD1 3.73Å; Y184-I233 HydrophobicContact CD1-CB 4.23Å; Y184-I233 HydrophobicContact CD1-CG1 3.83Å; Y184-I233 HydrophobicContact CD1-CG2 4.34Å; Y184-I233 HydrophobicContact CD2-CD1 4.43Å; Y184-I233 HydrophobicContact CD2-CG1 4.02Å; Y184-I233 HydrophobicContact CE1-CB 4.32Å; Y184-I233 HydrophobicContact CE1-CG1 3.63Å; Y184-I233 HydrophobicContact CE2-CD1 4.28Å; Y184-I233 HydrophobicContact CE2-CG1 3.86Å; Y184-I233 HydrophobicContact CG-CG1 4.01Å; Y184-I233 HydrophobicContact CG-CG2 4.36Å; A226-I233 HydrophobicContact CB-CG2 4.29Å; N228-I233 HydrophobicContact CB-CD1 3.93Å; I233-F235 HydrophobicContact CB-CE2 4.18Å; I233-F235 HydrophobicContact CG2-CD2 4.21Å; I233-F235 HydrophobicContact CG2-CE2 3.66Å; I233-F235 HydrophobicContact CG2-CZ 3.88Å; I233-R257 WeakPolarHBondContact O-CA 3.34Å; I233-V258 HydrophobicContact CB-CG2 3.96Å; I233-V258 PolarHBondContact N-O 2.88Å; I233-V258 PolarHBondContact O-N 2.81Å; I233-K260 HydrophobicContact CD1-CG 4.08Å; I233-K260 HydrophobicContact CG1-CG 4.11Å
234	Y	98.9	Very high	96.9	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.6	176.9	-65.2	-90.2	0	0	0	110.2	A226 V227 Y229 F232 V255 A256 R257 M333 V336 F340	A226-Y234 CarbonylContact C-O 3.55Å; A226-Y234 WeakPolarHBondContact CA-O 3.42Å; A226-Y234 WeakPolarHBondContact CB-O 3.49Å; V227-Y234 HydrophobicContact CG2-CD2 4.46Å; V227-Y234 PolarHBondContact N-O 2.86Å; V227-Y234 PolarHBondContact O-N 3.32Å; Y229-Y234 HydrophobicContact CD1-CE2 4.16Å; F232-Y234 HydrophobicContact CB-CD2 4.25Å; F232-Y234 HydrophobicContact CB-CE2 3.71Å; Y234-V255 HydrophobicContact CD1-CG2 3.97Å; Y234-A256 CarbonylContact C-O 3.59Å; Y234-A256 WeakPolarHBondContact CA-O 3.3Å; Y234-R257 HydrophobicContact CD1-CB 3.73Å; Y234-R257 HydrophobicContact CE1-CB 3.67Å; Y234-M333 HydrophobicContact CD1-CE 4.49Å; Y234-M333 HydrophobicContact CD2-CE 3.65Å; Y234-M333 HydrophobicContact CE2-CE 3.73Å; Y234-M333 HydrophobicContact CG-CE 4.05Å; Y234-V336 HydrophobicContact CD1-CG1 3.87Å; Y234-V336 HydrophobicContact CE1-CG1 3.74Å; Y234-F340 HydrophobicContact CD1-CE2 4.18Å; Y234-F340 HydrophobicContact CE1-CD2 4.26Å; Y234-F340 AromaticContact CE1-CE2 3.79Å; Y234-F340 HydrophobicContact CE1-CE2 3.79Å
235	F	98.9	Very high	95.9	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.9	177	-66.8	-93.9	0	0	0	110.3	Y184 A186 I198 A226 I233 F237 V255 A256 V258	Y184-F235 HydrophobicContact CD1-CZ 4.21Å; A186-F235 HydrophobicContact CB-CD1 4.26Å; A186-F235 HydrophobicContact CB-CE1 4.33Å; I198-F235 HydrophobicContact CD1-CB 4.16Å; I198-F235 HydrophobicContact CD1-CD1 4.46Å; I198-F235 HydrophobicContact CD1-CD2 4.46Å; I198-F235 HydrophobicContact CD1-CG 4.13Å; I198-F235 HydrophobicContact CG1-CD1 4.36Å; I198-F235 HydrophobicContact CG1-CG 4.49Å; I198-F235 HydrophobicContact CG2-CD1 4.18Å; I198-F235 HydrophobicContact CG2-CD2 4Å; I198-F235 HydrophobicContact CG2-CE1 3.79Å; I198-F235 HydrophobicContact CG2-CE2 3.58Å; I198-F235 HydrophobicContact CG2-CG 4.27Å; I198-F235 HydrophobicContact CG2-CZ 3.45Å; I198-F235 VanDerWaalsContact CG2-CZ 3.45Å; A226-F235 HydrophobicContact CB-CD1 3.73Å; A226-F235 HydrophobicContact CB-CE1 3.96Å; A226-F235 HydrophobicContact CB-CG 4.28Å; I233-F235 HydrophobicContact CB-CE2 4.18Å; I233-F235 HydrophobicContact CG2-CD2 4.21Å; I233-F235 HydrophobicContact CG2-CE2 3.66Å; I233-F235 HydrophobicContact CG2-CZ 3.88Å; F235-F237 HydrophobicContact CB-CD1 4.47Å; F235-V255 CarbonylContact O-C 3.2Å; F235-V255 WeakPolarHBondContact O-CA 3.48Å; F235-A256 PolarHBondContact N-O 2.95Å; F235-A256 PolarHBondContact O-N 2.77Å; F235-V258 HydrophobicContact CE2-CG2 3.81Å
236	F	98.9	Very high	95	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.3	176.1	-62	-93.7	0	0	0	109.7	V224 Q225 V227 R254 V255 L282 L297 V300 V312	V224-F236 WeakPolarHBondContact CB-O 3.44Å; V224-F236 PolarHBondContact N-O 2.87Å; Q225-F236 HydrophobicContact CB-CB 4.36Å; Q225-F236 PolarHBondContact N-O 2.59Å; Q225-F236 VanDerWaalsContact N-O 3.14Å; Q225-F236 PolarHBondContact O-N 2.85Å; V227-F236 HydrophobicContact CG1-CE2 4.28Å; V227-F236 HydrophobicContact CG2-CE2 3.88Å; F236-R254 WeakPolarHBondContact CA-O 3.44Å; F236-V255 HydrophobicContact CD1-CB 4.04Å; F236-V255 HydrophobicContact CD1-CG2 4.1Å; F236-V255 HydrophobicContact CE1-CB 3.86Å; F236-V255 HydrophobicContact CE1-CG2 3.66Å; F236-V255 HydrophobicContact CE2-CG2 4.44Å; F236-V255 HydrophobicContact CZ-CG2 3.84Å; F236-L282 HydrophobicContact CD1-CD1 3.91Å; F236-L282 HydrophobicContact CE1-CD1 4.36Å; F236-L297 HydrophobicContact CB-CD2 4.08Å; F236-V300 HydrophobicContact CB-CB 4.43Å; F236-V300 HydrophobicContact CB-CG2 3.71Å; F236-V300 HydrophobicContact CD1-CG1 4.16Å; F236-V300 HydrophobicContact CD1-CG2 4Å; F236-V300 HydrophobicContact CD2-CG1 4.16Å; F236-V300 HydrophobicContact CE1-CG1 4.28Å; F236-V300 HydrophobicContact CE2-CG1 4.27Å; F236-V300 HydrophobicContact CG-CB 4.3Å; F236-V300 HydrophobicContact CG-CG1 4.12Å; F236-V300 HydrophobicContact CG-CG2 3.85Å; F236-V300 HydrophobicContact CZ-CG1 4.34Å; F236-V312 HydrophobicContact CE1-CG2 4.15Å; F236-V312 HydrophobicContact CZ-CG1 4.5Å; F236-V312 HydrophobicContact CZ-CG2 3.92Å
237	F	98.9	Very high	94.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	174.2	-178.4	63.6	-83	0	0	0	110.5	I198 L218 P221 Y222 F223 F235 E239 R254 A256 K279	I198-F237 HydrophobicContact CD1-CE1 4.38Å; L218-F237 HydrophobicContact CD2-CD2 4.43Å; L218-F237 HydrophobicContact CD2-CE1 4.48Å; L218-F237 HydrophobicContact CD2-CE2 3.66Å; L218-F237 HydrophobicContact CD2-CZ 3.69Å; P221-F237 HydrophobicContact CB-CD2 3.85Å; P221-F237 HydrophobicContact CB-CE2 4.3Å; Y222-F237 WeakPolarHBondContact O-CA 3.45Å; Y222-F237 VanDerWaalsContact O-CB 3.28Å; Y222-F237 WeakPolarHBondContact O-CB 3.47Å; F223-F237 HydrophobicContact CD1-CB 3.86Å; F223-F237 HydrophobicContact CD1-CG 4.28Å; F235-F237 HydrophobicContact CB-CD1 4.47Å; F237-E239 HydrophobicContact CD2-CB 4.18Å; F237-E239 HydrophobicContact CD2-CG 4.48Å; F237-E239 HydrophobicContact CE2-CB 4.05Å; F237-E239 HydrophobicContact CE2-CG 4Å; F237-R254 HydrophobicContact CD1-CB 4.09Å; F237-R254 HydrophobicContact CD2-CB 4.09Å; F237-R254 HydrophobicContact CD2-CG 4.27Å; F237-R254 HydrophobicContact CE1-CB 3.8Å; F237-R254 HydrophobicContact CE2-CB 3.82Å; F237-R254 HydrophobicContact CE2-CG 3.8Å; F237-R254 HydrophobicContact CG-CB 4.22Å; F237-R254 HydrophobicContact CZ-CB 3.66Å; F237-R254 HydrophobicContact CZ-CG 3.99Å; F237-R254 PolarHBondContact N-O 2.78Å; F237-R254 VanDerWaalsContact N-O 3.08Å; F237-R254 PolarHBondContact O-N 2.71Å; F237-A256 HydrophobicContact CE1-CB 3.75Å; F237-A256 HydrophobicContact CZ-CB 4.46Å; F237-K279 HydrophobicContact CZ-CD 4.12Å
238	R	98.8	Very high	93.4	Very high	23 Å²	23	43 Å²	43	9%	0.087	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146	168.3	62.3	-175.5	-173	-98.2	-2.8	109.5	P221 Y222 V251 F252 L297	P221-R238 CarbonylContact C-O 3.54Å; P221-R238 VanDerWaalsContact CA-O 3.29Å; P221-R238 WeakPolarHBondContact CA-O 3.41Å; Y222-R238 VanDerWaalsContact CD1-NH2 3.28Å; Y222-R238 VanDerWaalsContact CE1-NH1 3.29Å; Y222-R238 VanDerWaalsContact CG-CZ 3.46Å; Y222-R238 PolarHBondContact N-O 2.73Å; Y222-R238 PolarHBondContact O-N 3.38Å; R238-V251 HydrophobicContact CB-CG1 3.87Å; R238-V251 HydrophobicContact CG-CG1 4.16Å; R238-F252 VanDerWaalsContact CA-O 3.23Å; R238-F252 WeakPolarHBondContact CA-O 3.22Å; R238-L297 HydrophobicContact CB-CB 4.49Å; R238-L297 PolarHBondContact NH1-O 2.78Å
239	E	98.4	Very high	93	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	171.8	-177.5	68.7	174.2	168.7	0	0	110.3	K219 P221 F237 A241 V251 F252 R254 K279	K219-E239 PolarHBondContact N-OE2 3.45Å; K219-E239 VanDerWaalsContact N-OE2 3.12Å; K219-E239 WeakPolarHBondContact O-CB 3.29Å; P221-E239 HydrophobicContact CB-CB 4.31Å; F237-E239 HydrophobicContact CD2-CB 4.18Å; F237-E239 HydrophobicContact CD2-CG 4.48Å; F237-E239 HydrophobicContact CE2-CB 4.05Å; F237-E239 HydrophobicContact CE2-CG 4Å; E239-A241 PolarHBondContact O-N 2.97Å; E239-V251 CarbonylContact O-C 3.6Å; E239-V251 VanDerWaalsContact O-CA 3.28Å; E239-V251 WeakPolarHBondContact O-CA 3.41Å; E239-F252 PolarHBondContact N-O 2.91Å; E239-F252 PolarHBondContact O-N 3.23Å; E239-R254 HydrophobicContact CG-CG 3.9Å; E239-R254 IonicContact OE1-CZ 3.64Å; E239-R254 IonicContact OE1-NE 3.25Å; E239-R254 PolarHBondContact OE1-NE 3.41Å; E239-R254 IonicContact OE1-NH2 3.18Å; E239-K279 WeakPolarHBondContact OE1-CD 3.47Å; E239-K279 WeakPolarHBondContact OE1-CE 3.41Å; E239-K279 IonicContact OE1-NZ 2.77Å; E239-K279 PolarHBondContact OE1-NZ 3.41Å; E239-K279 IonicContact OE2-NZ 3.17Å; E239-K279 PolarHBondContact OE2-NZ 2.96Å
240	I	97.8	Very high	92.9	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.2	170.7	-58.4	169.4	0	0	0	109.4	K219 E220 M242 K249 V250	K219-I240 HydrophobicContact CB-CB 4.38Å; K219-I240 HydrophobicContact CD-CB 3.91Å; K219-I240 HydrophobicContact CD-CG2 3.93Å; K219-I240 HydrophobicContact CG-CB 3.97Å; K219-I240 HydrophobicContact CG-CD1 4.42Å; K219-I240 PolarHBondContact O-N 3.18Å; E220-I240 HydrophobicContact CB-CD1 3.84Å; E220-I240 HydrophobicContact CB-CG1 4.28Å; E220-I240 HydrophobicContact CG-CD1 3.98Å; E220-I240 WeakPolarHBondContact OE1-CD1 3.44Å; E220-I240 WeakPolarHBondContact OE2-CD1 3.27Å; I240-M242 PolarHBondContact O-N 3.11Å; I240-K249 HydrophobicContact CD1-CD 3.91Å; I240-K249 HydrophobicContact CD1-CG 4.19Å; I240-K249 VanDerWaalsContact CD1-NZ 3.33Å; I240-K249 HydrophobicContact CG1-CD 4.39Å; I240-K249 HydrophobicContact CG1-CG 4.21Å; I240-K249 HydrophobicContact CG2-CG 4.14Å; I240-V250 WeakPolarHBondContact CA-O 3.2Å
241	A	95.9	Very high	92.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.			trans	-71.5	112.2	179.5	0	0	0	0	0	111.1	E239 E243 Y244 V250 F252	E239-A241 PolarHBondContact O-N 2.97Å; A241-E243 WeakPolarHBondContact CA-OE2 3.46Å; A241-E243 HydrophobicContact CB-CG 4.44Å; A241-E243 PolarHBondContact O-N 3.48Å; A241-Y244 PolarHBondContact O-N 2.97Å; A241-V250 PolarHBondContact N-O 2.84Å; A241-F252 HydrophobicContact CB-CB 4.11Å; A241-F252 HydrophobicContact CB-CD1 4.37Å; A241-F252 HydrophobicContact CB-CD2 3.36Å; A241-F252 HydrophobicContact CB-CE2 3.77Å; A241-F252 HydrophobicContact CB-CG 3.69Å; A241-F252 HydrophobicContact CB-CZ 4.42Å
242	M	91.3	Very high	93	Very high	39 Å²	39	40.4 Å²	40.4	19%	0.192	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-66.9	-30.6	173.2	-76	-165.3	58.4	0	0	112.1	K216 K219 I240 Y244 N245 W354	K216-M242 VanDerWaalsContact CA-SD 3.6Å; K216-M242 HydrophobicContact CB-SD 4.41Å; K216-M242 HydrophobicContact CG-CE 4.04Å; K216-M242 HydrophobicContact CG-SD 4.03Å; K216-M242 PolarHBondContact N-SD 2.88Å; K219-M242 HydrophobicContact CD-CG 3.73Å; I240-M242 PolarHBondContact O-N 3.11Å; M242-Y244 PolarHBondContact O-N 2.94Å; M242-N245 WeakPolarHBondContact O-CB 3.41Å; M242-N245 PolarHBondContact O-N 3.21Å; M242-W354 HydrophobicContact CB-CH2 4.33Å; M242-W354 HydrophobicContact CB-CZ2 3.8Å; M242-W354 HydrophobicContact CE-CH2 4.48Å; M242-W354 HydrophobicContact CE-CZ2 4.1Å; M242-W354 PolarHBondContact O-NE1 2.89Å
243	E	89.9	Confident	93	Very high	22 Å²	22	39 Å²	39	10%	0.103	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-70.5	-9.1	-179.7	67.1	-94.3	-133.2	0	0	114.5	A241 F252 R254 W354 L398	A241-E243 WeakPolarHBondContact CA-OE2 3.46Å; A241-E243 HydrophobicContact CB-CG 4.44Å; A241-E243 PolarHBondContact O-N 3.48Å; E243-F252 HydrophobicContact CG-CD2 4.38Å; E243-F252 HydrophobicContact CG-CE2 3.95Å; E243-F252 WeakPolarHBondContact OE1-CD2 3.32Å; E243-R254 IonicContact OE1-CZ 2.68Å; E243-R254 VanDerWaalsContact OE1-CZ 3.25Å; E243-R254 IonicContact OE1-NH1 2.69Å; E243-R254 PolarHBondContact OE1-NH1 2.68Å; E243-R254 IonicContact OE1-NH2 2.73Å; E243-R254 PolarHBondContact OE1-NH2 2.79Å; E243-R254 IonicContact OE2-CZ 2.73Å; E243-R254 IonicContact OE2-NH1 3.97Å; E243-R254 IonicContact OE2-NH2 3.96Å; E243-R254 PolarHBondContact OE2-NH2 2.97Å; E243-W354 HydrophobicContact CB-CB 4.31Å; E243-W354 HydrophobicContact CB-CD2 4.06Å; E243-W354 HydrophobicContact CB-CG 3.86Å; E243-L398 HydrophobicContact CB-CD2 4.47Å
244	Y	86.4	Confident	93	Very high	96 Å²	96	39 Å²	39	38%	0.376	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-119.5	9	177.2	-93.2	-97	0	0	0	113.2	A241 M242 T246 M247 F252	A241-Y244 PolarHBondContact O-N 2.97Å; M242-Y244 PolarHBondContact O-N 2.94Å; Y244-T246 PolarHBondContact O-N 2.8Å; Y244-T246 VanDerWaalsContact O-N 3.09Å; Y244-M247 HydrophobicContact CD1-SD 4.29Å; Y244-M247 HydrophobicContact CE1-SD 4.29Å; Y244-M247 PolarHBondContact O-N 3.07Å; Y244-F252 AromaticContact CD2-CE2 3.48Å; Y244-F252 HydrophobicContact CD2-CE2 3.48Å; Y244-F252 VanDerWaalsContact CD2-CE2 3.48Å; Y244-F252 AromaticContact CD2-CZ 3.36Å; Y244-F252 HydrophobicContact CD2-CZ 3.36Å; Y244-F252 AromaticContact CE2-CE2 3.78Å; Y244-F252 HydrophobicContact CE2-CE2 3.78Å; Y244-F252 AromaticContact CE2-CZ 3.47Å; Y244-F252 HydrophobicContact CE2-CZ 3.47Å; Y244-F252 VanDerWaalsContact CE2-CZ 3.47Å; Y244-F252 HydrophobicContact CG-CE2 4.43Å; Y244-F252 HydrophobicContact CG-CZ 4.07Å
245	N	79.1	Confident	93	Very high	92 Å²	92	38.9 Å²	38.9	49%	0.492	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-61.4	-25	-172.3	-163	53.1	0	0	0	113.7	K219 M242 M247 G248	K219-N245 PolarHBondContact NZ-OD1 2.99Å; M242-N245 WeakPolarHBondContact O-CB 3.41Å; M242-N245 PolarHBondContact O-N 3.21Å; N245-M247 VanDerWaalsContact C-N 3.25Å; N245-M247 PolarHBondContact O-N 2.98Å; N245-G248 PolarHBondContact O-N 3.31Å
246	T	79.4	Confident	93	Very high	112 Å²	112	38.8 Å²	38.8	69%	0.687	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-69.1	-20.9	176.5	52.5	0	0	0	0	113.4	Y244	Y244-T246 PolarHBondContact O-N 2.8Å; Y244-T246 VanDerWaalsContact O-N 3.09Å
247	M	78.6	Confident	93	Very high	155 Å²	155	39.5 Å²	39.5	76%	0.764	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-107.4	5.3	-178.9	-57.3	-173.7	110.5	0	0	112.9	Y244 N245	Y244-M247 HydrophobicContact CD1-SD 4.29Å; Y244-M247 HydrophobicContact CE1-SD 4.29Å; Y244-M247 PolarHBondContact O-N 3.07Å; N245-M247 VanDerWaalsContact C-N 3.25Å; N245-M247 PolarHBondContact O-N 2.98Å
248	G	84.8	Confident	93	Very high	34 Å²	34	39.5 Å²	39.5	35%	0.351	21%	0.205	S	C	.	.			trans	117	-175.3	179.4	0	0	0	0	0	114.4	N245 V250	N245-G248 PolarHBondContact O-N 3.31Å; G248-V250 PolarHBondContact O-N 3.3Å
249	K	89.9	Confident	93	Very high	140 Å²	140	38.6 Å²	38.6	61%	0.609	20%	0.202	S	C	*	.			trans	-80.4	95.8	179.4	-179	168.3	172.5	156.2	0	110.1	E220 I240	E220-K249 IonicContact OE1-NZ 2.71Å; E220-K249 IonicContact OE2-NZ 2.91Å; E220-K249 PolarHBondContact OE2-NZ 2.54Å; I240-K249 HydrophobicContact CD1-CD 3.91Å; I240-K249 HydrophobicContact CD1-CG 4.19Å; I240-K249 VanDerWaalsContact CD1-NZ 3.33Å; I240-K249 HydrophobicContact CG1-CD 4.39Å; I240-K249 HydrophobicContact CG1-CG 4.21Å; I240-K249 HydrophobicContact CG2-CG 4.14Å
250	V	94.5	Very high	93	Very high	42 Å²	42	39.9 Å²	39.9	26%	0.255	21%	0.208	S	C	.	.			trans	-104.1	135.8	173.5	-175.5	0	0	0	0	109.7	I240 A241 G248 F252	I240-V250 WeakPolarHBondContact CA-O 3.2Å; A241-V250 PolarHBondContact N-O 2.84Å; G248-V250 PolarHBondContact O-N 3.3Å; V250-F252 HydrophobicContact CG1-CD1 3.99Å; V250-F252 HydrophobicContact CG1-CE1 3.64Å; V250-F252 HydrophobicContact CG1-CZ 4.37Å
251	V	97.7	Very high	92.9	Very high	43 Å²	43	42.6 Å²	42.6	26%	0.261	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.7	173.9	175.1	0	0	0	0	108.7	R238 E239 N295 I296	R238-V251 HydrophobicContact CB-CG1 3.87Å; R238-V251 HydrophobicContact CG-CG1 4.16Å; E239-V251 CarbonylContact O-C 3.6Å; E239-V251 VanDerWaalsContact O-CA 3.28Å; E239-V251 WeakPolarHBondContact O-CA 3.41Å; V251-N295 VanDerWaalsContact O-CB 3.23Å; V251-N295 WeakPolarHBondContact O-CB 3.47Å; V251-I296 HydrophobicContact CB-CD1 3.92Å; V251-I296 HydrophobicContact CG1-CD1 3.93Å
252	F	98.3	Very high	93	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.022	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.1	172.6	-80	-12.5	0	0	0	112.8	R238 E239 A241 E243 Y244 V250 R281	R238-F252 VanDerWaalsContact CA-O 3.23Å; R238-F252 WeakPolarHBondContact CA-O 3.22Å; E239-F252 PolarHBondContact N-O 2.91Å; E239-F252 PolarHBondContact O-N 3.23Å; A241-F252 HydrophobicContact CB-CB 4.11Å; A241-F252 HydrophobicContact CB-CD1 4.37Å; A241-F252 HydrophobicContact CB-CD2 3.36Å; A241-F252 HydrophobicContact CB-CE2 3.77Å; A241-F252 HydrophobicContact CB-CG 3.69Å; A241-F252 HydrophobicContact CB-CZ 4.42Å; E243-F252 HydrophobicContact CG-CD2 4.38Å; E243-F252 HydrophobicContact CG-CE2 3.95Å; E243-F252 WeakPolarHBondContact OE1-CD2 3.32Å; Y244-F252 AromaticContact CD2-CE2 3.48Å; Y244-F252 HydrophobicContact CD2-CE2 3.48Å; Y244-F252 VanDerWaalsContact CD2-CE2 3.48Å; Y244-F252 AromaticContact CD2-CZ 3.36Å; Y244-F252 HydrophobicContact CD2-CZ 3.36Å; Y244-F252 AromaticContact CE2-CE2 3.78Å; Y244-F252 HydrophobicContact CE2-CE2 3.78Å; Y244-F252 AromaticContact CE2-CZ 3.47Å; Y244-F252 HydrophobicContact CE2-CZ 3.47Å; Y244-F252 VanDerWaalsContact CE2-CZ 3.47Å; Y244-F252 HydrophobicContact CG-CE2 4.43Å; Y244-F252 HydrophobicContact CG-CZ 4.07Å; V250-F252 HydrophobicContact CG1-CD1 3.99Å; V250-F252 HydrophobicContact CG1-CE1 3.64Å; V250-F252 HydrophobicContact CG1-CZ 4.37Å; F252-R281 HydrophobicContact CD2-CG 4.32Å; F252-R281 HydrophobicContact CG-CG 4.47Å
253	P	98.8	Very high	93.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.6	170	35.5	-33.4	0	0	0	110.1	R281 L282 N295 L297 F316	P253-R281 WeakPolarHBondContact O-CA 3.43Å; P253-L282 HydrophobicContact CB-CB 4.2Å; P253-L282 HydrophobicContact CB-CD1 4.38Å; P253-L282 HydrophobicContact CG-CB 4.06Å; P253-L282 WeakPolarHBondContact CG-O 3.44Å; P253-L282 PolarHBondContact O-N 2.98Å; P253-N295 VanDerWaalsContact CD-O 3.3Å; P253-N295 WeakPolarHBondContact CD-O 3.49Å; P253-L297 HydrophobicContact CB-CB 3.9Å; P253-F316 HydrophobicContact CB-CD1 4.19Å; P253-F316 HydrophobicContact CB-CE1 3.6Å; P253-F316 HydrophobicContact CG-CD1 4.27Å; P253-F316 HydrophobicContact CG-CE1 3.82Å
254	R	98.8	Very high	93.7	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.3	-174.4	-60.1	-60.9	-166.2	-162.7	-6.3	111	F236 F237 E239 E243 S280	F236-R254 WeakPolarHBondContact CA-O 3.44Å; F237-R254 HydrophobicContact CD1-CB 4.09Å; F237-R254 HydrophobicContact CD2-CB 4.09Å; F237-R254 HydrophobicContact CD2-CG 4.27Å; F237-R254 HydrophobicContact CE1-CB 3.8Å; F237-R254 HydrophobicContact CE2-CB 3.82Å; F237-R254 HydrophobicContact CE2-CG 3.8Å; F237-R254 HydrophobicContact CG-CB 4.22Å; F237-R254 HydrophobicContact CZ-CB 3.66Å; F237-R254 HydrophobicContact CZ-CG 3.99Å; F237-R254 PolarHBondContact N-O 2.78Å; F237-R254 VanDerWaalsContact N-O 3.08Å; F237-R254 PolarHBondContact O-N 2.71Å; E239-R254 HydrophobicContact CG-CG 3.9Å; E239-R254 IonicContact OE1-CZ 3.64Å; E239-R254 IonicContact OE1-NE 3.25Å; E239-R254 PolarHBondContact OE1-NE 3.41Å; E239-R254 IonicContact OE1-NH2 3.18Å; E243-R254 IonicContact OE1-CZ 2.68Å; E243-R254 VanDerWaalsContact OE1-CZ 3.25Å; E243-R254 IonicContact OE1-NH1 2.69Å; E243-R254 PolarHBondContact OE1-NH1 2.68Å; E243-R254 IonicContact OE1-NH2 2.73Å; E243-R254 PolarHBondContact OE1-NH2 2.79Å; E243-R254 IonicContact OE2-CZ 2.73Å; E243-R254 IonicContact OE2-NH1 3.97Å; E243-R254 IonicContact OE2-NH2 3.96Å; E243-R254 PolarHBondContact OE2-NH2 2.97Å; R254-S280 VanDerWaalsContact CA-O 3.3Å; R254-S280 WeakPolarHBondContact CA-O 3.26Å
255	V	98.9	Very high	94.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.5	154.6	59.3	0	0	0	0	107.6	Y234 F235 F236 K279 S280 L282 V336 F340 V403	Y234-V255 HydrophobicContact CD1-CG2 3.97Å; F235-V255 CarbonylContact O-C 3.2Å; F235-V255 WeakPolarHBondContact O-CA 3.48Å; F236-V255 HydrophobicContact CD1-CB 4.04Å; F236-V255 HydrophobicContact CD1-CG2 4.1Å; F236-V255 HydrophobicContact CE1-CB 3.86Å; F236-V255 HydrophobicContact CE1-CG2 3.66Å; F236-V255 HydrophobicContact CE2-CG2 4.44Å; F236-V255 HydrophobicContact CZ-CG2 3.84Å; V255-K279 CarbonylContact O-C 3.39Å; V255-K279 VanDerWaalsContact O-CA 3.3Å; V255-K279 WeakPolarHBondContact O-CA 3.23Å; V255-S280 PolarHBondContact N-O 2.85Å; V255-S280 PolarHBondContact O-N 3.37Å; V255-L282 HydrophobicContact CB-CD1 4.44Å; V255-L282 HydrophobicContact CB-CD2 4.07Å; V255-L282 HydrophobicContact CB-CG 4.29Å; V255-L282 HydrophobicContact CG1-CD2 3.78Å; V255-L282 HydrophobicContact CG1-CG 4.21Å; V255-V336 HydrophobicContact CG1-CG1 4.25Å; V255-V336 HydrophobicContact CG2-CG1 4Å; V255-F340 HydrophobicContact CG1-CZ 4.23Å; V255-V403 HydrophobicContact CG1-CG2 3.74Å
256	A	98.9	Very high	95	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	155	171.3	0	0	0	0	0	110.5	Y234 F235 F237 F277 L278 K279	Y234-A256 CarbonylContact C-O 3.59Å; Y234-A256 WeakPolarHBondContact CA-O 3.3Å; F235-A256 PolarHBondContact N-O 2.95Å; F235-A256 PolarHBondContact O-N 2.77Å; F237-A256 HydrophobicContact CE1-CB 3.75Å; F237-A256 HydrophobicContact CZ-CB 4.46Å; A256-F277 HydrophobicContact CB-CD2 4.39Å; A256-F277 HydrophobicContact CB-CE2 3.69Å; A256-F277 HydrophobicContact CB-CZ 4.18Å; A256-L278 CarbonylContact C-O 3.59Å; A256-L278 WeakPolarHBondContact CA-O 3.26Å; A256-L278 VanDerWaalsContact CB-O 3.27Å; A256-L278 WeakPolarHBondContact CB-O 3.27Å; A256-K279 HydrophobicContact CB-CB 3.82Å
257	R	98.4	Very high	95.8	Very high	16 Å²	16	36.2 Å²	36.2	6%	0.06	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.9	174	74.5	174.9	-171.8	-174	-1.8	111.5	F232 I233 Y234 S276 F277 L278 F340 G368	F232-R257 HydrophobicContact CB-CB 4.43Å; F232-R257 HydrophobicContact CD1-CB 4.19Å; F232-R257 HydrophobicContact CD1-CG 4.11Å; F232-R257 HydrophobicContact CE1-CG 4.43Å; I233-R257 WeakPolarHBondContact O-CA 3.34Å; Y234-R257 HydrophobicContact CD1-CB 3.73Å; Y234-R257 HydrophobicContact CE1-CB 3.67Å; R257-S276 VanDerWaalsContact O-O 3.1Å; R257-F277 WeakPolarHBondContact O-CA 3.44Å; R257-L278 PolarHBondContact N-O 2.95Å; R257-L278 PolarHBondContact O-N 3.36Å; R257-F340 HydrophobicContact CB-CE2 4.22Å; R257-F340 HydrophobicContact CB-CZ 4.2Å; R257-F340 HydrophobicContact CG-CD1 4.07Å; R257-F340 HydrophobicContact CG-CD2 4.19Å; R257-F340 HydrophobicContact CG-CE1 4.07Å; R257-F340 HydrophobicContact CG-CE2 4.2Å; R257-F340 HydrophobicContact CG-CG 4.13Å; R257-F340 HydrophobicContact CG-CZ 4.13Å; R257-F340 VanDerWaalsContact NH1-CB 3.29Å; R257-G368 PolarHBondContact NH2-O 2.81Å
258	V	98.8	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.6	166.6	-60.9	0	0	0	0	109.5	Y184 F232 I233 F235 W274 F277	Y184-V258 HydrophobicContact CD1-CG2 4.37Å; Y184-V258 HydrophobicContact CE1-CG2 4.13Å; F232-V258 CarbonylContact C-O 3.43Å; F232-V258 VanDerWaalsContact CA-O 3.23Å; F232-V258 WeakPolarHBondContact CA-O 3.42Å; I233-V258 HydrophobicContact CB-CG2 3.96Å; I233-V258 PolarHBondContact N-O 2.88Å; I233-V258 PolarHBondContact O-N 2.81Å; F235-V258 HydrophobicContact CE2-CG2 3.81Å; V258-W274 HydrophobicContact CB-CD2 4.42Å; V258-W274 HydrophobicContact CB-CE3 4.03Å; V258-W274 HydrophobicContact CB-CH2 4.45Å; V258-W274 HydrophobicContact CB-CZ3 4.05Å; V258-W274 HydrophobicContact CG1-CD2 3.98Å; V258-W274 HydrophobicContact CG1-CE3 4.1Å; V258-W274 HydrophobicContact CG1-CG 4.27Å; V258-W274 HydrophobicContact CG1-CZ3 4.46Å; V258-W274 HydrophobicContact CG2-CH2 4.13Å; V258-W274 HydrophobicContact CG2-CZ3 4.14Å; V258-F277 HydrophobicContact CG1-CB 4.32Å; V258-F277 HydrophobicContact CG1-CD2 4.12Å
259	C	98.3	Very high	97.4	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.02	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.7	174.5	-69.6	0	0	0	0	110.6	F232 N261 D262 S276 C370	F232-C259 VanDerWaalsContact CE1-SG 3.51Å; C259-N261 PolarHBondContact O-N 3.15Å; C259-D262 HydrophobicContact CB-CB 4.27Å; C259-D262 WeakPolarHBondContact O-CB 3.38Å; C259-D262 PolarHBondContact O-N 2.64Å; C259-S276 PolarHBondContact N-OG 2.84Å; C259-S276 WeakPolarHBondContact SG-CB 3.02Å; C259-C370 HydrophobicContact CB-CB 3.87Å; C259-C370 WeakPolarHBondContact CB-SG 3.08Å; C259-C370 WeakPolarHBondContact SG-CA 3.4Å; C259-C370 WeakPolarHBondContact SG-CB 3.15Å; C259-C370 CovalentContact SG-SG 2.04Å; C259-C370 PolarHBondContact SG-SG 3.27Å
260	K	97.8	Very high	97.8	Very high	30 Å²	30	30.3 Å²	30.3	13%	0.13	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.6	177.3	-70	170.6	177.3	-177.7	0	113.3	K182 Y184 R200 N228 G230 D231 F232 I233	K182-K260 PolarHBondContact NZ-O 3.42Å; Y184-K260 WeakPolarHBondContact OH-CA 3.3Å; Y184-K260 PolarHBondContact OH-O 3.21Å; R200-K260 PolarHBondContact NH1-O 3.43Å; N228-K260 WeakPolarHBondContact OD1-CE 3.5Å; N228-K260 PolarHBondContact OD1-NZ 3.03Å; G230-K260 WeakPolarHBondContact O-CE 3.41Å; G230-K260 PolarHBondContact O-NZ 2.87Å; D231-K260 WeakPolarHBondContact O-CG 3.46Å; D231-K260 PolarHBondContact O-N 2.97Å; F232-K260 WeakPolarHBondContact O-CE 3.03Å; I233-K260 HydrophobicContact CD1-CG 4.08Å; I233-K260 HydrophobicContact CG1-CG 4.11Å
261	N	96.4	Very high	97.9	Very high	65 Å²	65	33.5 Å²	33.5	35%	0.348	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.6	-178.4	72.7	-14.5	0	0	0	114.1	C259 R263 A371	C259-N261 PolarHBondContact O-N 3.15Å; N261-R263 PolarHBondContact O-N 3.09Å; N261-A371 PolarHBondContact ND2-O 3.12Å
262	D	98	Very high	97.9	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.011	17%	0.174	C	C	.	.			trans	-57.1	132.4	177.9	-161.8	-31.4	0	0	0	110.4	R200 L208 C259 G264 W274 T275 S276 S382	R200-D262 PolarHBondContact NH1-O 2.86Å; R200-D262 PolarHBondContact NH2-O 2.86Å; L208-D262 HydrophobicContact CD1-CB 3.85Å; L208-D262 WeakPolarHBondContact CD1-O 3.24Å; C259-D262 HydrophobicContact CB-CB 4.27Å; C259-D262 WeakPolarHBondContact O-CB 3.38Å; C259-D262 PolarHBondContact O-N 2.64Å; D262-G264 PolarHBondContact OD1-N 2.84Å; D262-W274 HydrophobicContact CB-CE3 4.01Å; D262-W274 HydrophobicContact CB-CZ3 4.01Å; D262-T275 PolarHBondContact OD1-OG1 2.6Å; D262-T275 PolarHBondContact OD2-N 3.24Å; D262-T275 PolarHBondContact OD2-OG1 3.49Å; D262-T275 VanDerWaalsContact OD2-OG1 3.07Å; D262-S276 WeakPolarHBondContact OD2-CB 3.1Å; D262-S276 PolarHBondContact OD2-N 3.24Å; D262-S276 VanDerWaalsContact OD2-N 3.13Å; D262-S276 PolarHBondContact OD2-OG 2.9Å; D262-S382 PolarHBondContact OD1-OG 2.93Å
263	R	97.2	Very high	97.9	Very high	103 Å²	103	39.4 Å²	39.4	39%	0.389	18%	0.183	S	C	.	.			trans	-115.2	6.4	179.9	-67.6	-76.5	-173.4	170.8	-3.6	112.1	D204 P206 N261 V381 S382 N383	D204-R263 PolarHBondContact O-NH1 3.18Å; P206-R263 HydrophobicContact CG-CB 4.38Å; P206-R263 WeakPolarHBondContact CG-O 3.23Å; N261-R263 PolarHBondContact O-N 3.09Å; R263-V381 HydrophobicContact CG-CB 4.41Å; R263-V381 HydrophobicContact CG-CG1 4.38Å; R263-S382 WeakPolarHBondContact CA-OG 3.47Å; R263-S382 PolarHBondContact N-OG 3.3Å; R263-N383 WeakPolarHBondContact CB-OD1 3.36Å; R263-N383 PolarHBondContact O-ND2 2.93Å
264	G	97.9	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.183	C	C	.	.			trans	86.8	174.5	-173.5	0	0	0	0	0	112.9	D262 Q273 T275 S382 N383	D262-G264 PolarHBondContact OD1-N 2.84Å; G264-Q273 VanDerWaalsContact CA-O 3.31Å; G264-Q273 WeakPolarHBondContact CA-O 3.23Å; G264-T275 WeakPolarHBondContact O-CG2 3.48Å; G264-S382 PolarHBondContact N-OG 2.88Å; G264-S382 CarbonylContact O-C 3.48Å; G264-S382 VanDerWaalsContact O-C 3.31Å; G264-S382 WeakPolarHBondContact O-CB 3.28Å; G264-S382 PolarHBondContact O-OG 3.47Å; G264-N383 PolarHBondContact O-N 3.25Å; G264-N383 PolarHBondContact O-ND2 3.4Å
265	G	97.6	Very high	97.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	18%	0.184	C	C	.	.			trans	-80.8	-172.1	-177.6	0	0	0	0	0	114.1	V269 L270 T275 N383	G265-V269 CarbonylContact C-O 3.52Å; G265-V269 WeakPolarHBondContact CA-O 3.34Å; G265-L270 WeakPolarHBondContact CA-O 3.34Å; G265-L270 PolarHBondContact N-O 2.77Å; G265-T275 VanDerWaalsContact CA-CG2 3.42Å; G265-N383 PolarHBondContact O-ND2 3.27Å
266	S	97.1	Very high	97.9	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.042	18%	0.184	C	C	.	.			trans	-71.5	166	174.2	76.6	0	0	0	0	110.5	R268 V269 D387	S266-R268 PolarHBondContact O-N 2.99Å; S266-R268 PolarHBondContact OG-N 3.47Å; S266-V269 PolarHBondContact N-O 2.88Å; S266-V269 VanDerWaalsContact N-O 3.09Å; S266-V269 PolarHBondContact O-N 3.3Å; S266-V269 VanDerWaalsContact O-O 3.06Å; S266-V269 PolarHBondContact OG-N 2.87Å; S266-D387 PolarHBondContact OG-OD1 3.44Å
267	P	96.3	Very high	97.9	Very high	114 Å²	114	39.7 Å²	39.7	74%	0.74	18%	0.184	S	C	*	.	S	Bend	trans	-57.6	-17.3	172.5	-25.8	35.5	0	0	0	114.2
268	R	97.4	Very high	97.9	Very high	190 Å²	190	38.9 Å²	38.9	72%	0.717	18%	0.181	S	C	*	.	S	Bend	trans	-93.3	-34	-178.5	-62.5	177	-64.6	-158.6	3.8	112.5	S266 D387	S266-R268 PolarHBondContact O-N 2.99Å; S266-R268 PolarHBondContact OG-N 3.47Å; R268-D387 WeakPolarHBondContact CD-OD2 3.45Å; R268-D387 IonicContact CZ-OD1 3.14Å; R268-D387 IonicContact CZ-OD2 3.85Å; R268-D387 IonicContact NE-OD1 2.87Å; R268-D387 PolarHBondContact NE-OD1 2.75Å; R268-D387 VanDerWaalsContact NE-OD1 3.14Å; R268-D387 IonicContact NE-OD2 2.85Å; R268-D387 PolarHBondContact NE-OD2 3.28Å; R268-D387 IonicContact NH1-OD2 3.37Å; R268-D387 VanDerWaalsContact NH2-CG 3.28Å; R268-D387 IonicContact NH2-OD1 3.4Å; R268-D387 PolarHBondContact NH2-OD1 3.15Å; R268-D387 IonicContact NH2-OD2 2.77Å; R268-D387 PolarHBondContact NH2-OD2 3.32Å
269	V	97.9	Very high	97.9	Very high	10 Å²	10	39.2 Å²	39.2	6%	0.061	18%	0.183	C	C	.	.	S	Bend	trans	-141.7	128.4	-171.3	-169.4	0	0	0	0	110.4	G265 S266 E271 D387 L390 N391	G265-V269 CarbonylContact C-O 3.52Å; G265-V269 WeakPolarHBondContact CA-O 3.34Å; S266-V269 PolarHBondContact N-O 2.88Å; S266-V269 VanDerWaalsContact N-O 3.09Å; S266-V269 PolarHBondContact O-N 3.3Å; S266-V269 VanDerWaalsContact O-O 3.06Å; S266-V269 PolarHBondContact OG-N 2.87Å; V269-E271 VanDerWaalsContact C-N 3.26Å; V269-E271 PolarHBondContact O-N 2.03Å; V269-D387 HydrophobicContact CG2-CB 4.15Å; V269-L390 HydrophobicContact CB-CB 3.81Å; V269-L390 HydrophobicContact CB-CD1 4.17Å; V269-L390 HydrophobicContact CG1-CB 3.55Å; V269-N391 WeakPolarHBondContact CG1-OD1 3.48Å
270	L	98	Very high	97.9	Very high	5 Å²	5	39 Å²	39	3%	0.026	18%	0.182	C	C	.	.	S	Bend	trans	57.8	31.2	177.9	-63.6	170.7	0	0	0	114.3	V211 W217 G265 K272 Q273 L390 I393 K394	V211-L270 HydrophobicContact CG2-CD2 3.85Å; W217-L270 HydrophobicContact CH2-CD2 4.13Å; W217-L270 HydrophobicContact CZ2-CD2 3.89Å; G265-L270 WeakPolarHBondContact CA-O 3.34Å; G265-L270 PolarHBondContact N-O 2.77Å; L270-K272 PolarHBondContact O-N 2.94Å; L270-Q273 HydrophobicContact CB-CB 4.08Å; L270-Q273 HydrophobicContact CD2-CB 3.86Å; L270-Q273 VanDerWaalsContact CD2-OE1 3.3Å; L270-Q273 PolarHBondContact O-N 2.78Å; L270-L390 HydrophobicContact CD1-CB 4.36Å; L270-L390 HydrophobicContact CD1-CD2 4.34Å; L270-L390 WeakPolarHBondContact CD1-O 3.23Å; L270-I393 HydrophobicContact CD1-CG2 3.73Å; L270-K394 HydrophobicContact CD1-CB 4.16Å; L270-K394 HydrophobicContact CD2-CB 4.08Å; L270-K394 HydrophobicContact CD2-CD 4.1Å; L270-K394 HydrophobicContact CD2-CG 3.99Å; L270-K394 HydrophobicContact CG-CB 4.27Å; L270-K394 HydrophobicContact CG-CD 4.47Å
271	E	97.3	Very high	97.9	Very high	109 Å²	109	39.1 Å²	39.1	51%	0.509	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	126	171.9	-159.4	-156.5	157.1	0	0	109.9	V269 Q273	V269-E271 VanDerWaalsContact C-N 3.26Å; V269-E271 PolarHBondContact O-N 2.03Å; E271-Q273 PolarHBondContact O-N 3.34Å; E271-Q273 VanDerWaalsContact O-N 3.12Å
272	K	97.4	Very high	98.1	Very high	132 Å²	132	36 Å²	36	57%	0.574	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	17.6	-175.9	-54.6	172	-174.5	168.3	0	114.8	R209 L270	R209-K272 PolarHBondContact N-O 2.82Å; L270-K272 PolarHBondContact O-N 2.94Å
273	Q	98.7	Very high	98.1	Very high	41 Å²	41	37.6 Å²	37.6	19%	0.192	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-117.5	157	176.4	-65.8	171.7	-26.3	0	0	110.1	R209 G264 L270 E271 T275	R209-Q273 VanDerWaalsContact O-CA 3.28Å; R209-Q273 WeakPolarHBondContact O-CA 3.32Å; G264-Q273 VanDerWaalsContact CA-O 3.31Å; G264-Q273 WeakPolarHBondContact CA-O 3.23Å; L270-Q273 HydrophobicContact CB-CB 4.08Å; L270-Q273 HydrophobicContact CD2-CB 3.86Å; L270-Q273 VanDerWaalsContact CD2-OE1 3.3Å; L270-Q273 PolarHBondContact O-N 2.78Å; E271-Q273 PolarHBondContact O-N 3.34Å; E271-Q273 VanDerWaalsContact O-N 3.12Å; Q273-T275 PolarHBondContact O-N 2.74Å
274	W	98.8	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.			trans	-59.3	136.8	178.4	-62.2	113	0	0	0	111.8	Y184 I198 R200 L208 R209 W217 V258 D262 F277	Y184-W274 HydrophobicContact CD1-CH2 4.18Å; Y184-W274 AromaticContact CE1-CH2 3.87Å; Y184-W274 HydrophobicContact CE1-CH2 3.87Å; I198-W274 PolarHBondContact O-NE1 3.35Å; R200-W274 HydrophobicContact CB-CH2 3.32Å; R200-W274 HydrophobicContact CB-CZ2 3.5Å; R200-W274 HydrophobicContact CB-CZ3 4.47Å; R200-W274 HydrophobicContact CG-CH2 4.15Å; L208-W274 HydrophobicContact CB-CD2 3.85Å; L208-W274 HydrophobicContact CB-CE3 3.9Å; L208-W274 HydrophobicContact CB-CH2 4.05Å; L208-W274 HydrophobicContact CB-CZ2 3.95Å; L208-W274 HydrophobicContact CB-CZ3 4.01Å; L208-W274 HydrophobicContact CD1-CD2 4.29Å; L208-W274 HydrophobicContact CD1-CE3 3.53Å; L208-W274 HydrophobicContact CD1-CH2 4.3Å; L208-W274 HydrophobicContact CD1-CZ3 3.55Å; L208-W274 HydrophobicContact CG-CE3 4.38Å; L208-W274 HydrophobicContact CG-CZ3 4.41Å; R209-W274 PolarHBondContact O-N 3.17Å; W217-W274 HydrophobicContact CH2-CB 4.27Å; W217-W274 WeakPolarHBondContact CH2-O 3.46Å; W217-W274 HydrophobicContact CZ3-CB 4.06Å; V258-W274 HydrophobicContact CB-CD2 4.42Å; V258-W274 HydrophobicContact CB-CE3 4.03Å; V258-W274 HydrophobicContact CB-CH2 4.45Å; V258-W274 HydrophobicContact CB-CZ3 4.05Å; V258-W274 HydrophobicContact CG1-CD2 3.98Å; V258-W274 HydrophobicContact CG1-CE3 4.1Å; V258-W274 HydrophobicContact CG1-CG 4.27Å; V258-W274 HydrophobicContact CG1-CZ3 4.46Å; V258-W274 HydrophobicContact CG2-CH2 4.13Å; V258-W274 HydrophobicContact CG2-CZ3 4.14Å; D262-W274 HydrophobicContact CB-CE3 4.01Å; D262-W274 HydrophobicContact CB-CZ3 4.01Å; W274-F277 HydrophobicContact CB-CB 3.74Å; W274-F277 HydrophobicContact CG-CB 4.35Å
275	T	98.5	Very high	98.1	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.031	16%	0.156	C	C	.	.	S	Bend	trans	-103.9	-1.1	172.5	61.7	0	0	0	0	112.5	D262 G264 G265 Q273 S382 L390 I393	D262-T275 PolarHBondContact OD1-OG1 2.6Å; D262-T275 PolarHBondContact OD2-N 3.24Å; D262-T275 PolarHBondContact OD2-OG1 3.49Å; D262-T275 VanDerWaalsContact OD2-OG1 3.07Å; G264-T275 WeakPolarHBondContact O-CG2 3.48Å; G265-T275 VanDerWaalsContact CA-CG2 3.42Å; Q273-T275 PolarHBondContact O-N 2.74Å; T275-S382 VanDerWaalsContact OG1-CB 3.23Å; T275-S382 WeakPolarHBondContact OG1-CB 3.21Å; T275-L390 HydrophobicContact CG2-CD2 3.58Å; T275-I393 WeakPolarHBondContact O-CD1 3.22Å
276	S	98.4	Very high	98	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	16%	0.16	C	C	.	.	S	Bend	trans	-125.8	3.3	-173.7	57.4	0	0	0	0	114.1	R257 C259 D262 L278	R257-S276 VanDerWaalsContact O-O 3.1Å; C259-S276 PolarHBondContact N-OG 2.84Å; C259-S276 WeakPolarHBondContact SG-CB 3.02Å; D262-S276 WeakPolarHBondContact OD2-CB 3.1Å; D262-S276 PolarHBondContact OD2-N 3.24Å; D262-S276 VanDerWaalsContact OD2-N 3.13Å; D262-S276 PolarHBondContact OD2-OG 2.9Å; S276-L278 PolarHBondContact O-N 3.33Å
277	F	98.9	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.			trans	-70.2	114.3	-178.8	179.3	-96.4	0	0	0	111.3	I198 T210 W217 L218 A256 R257 V258 W274 K279 P397	I198-F277 HydrophobicContact CD1-CE2 3.72Å; I198-F277 HydrophobicContact CD1-CZ 4.48Å; T210-F277 HydrophobicContact CG2-CD2 4.17Å; T210-F277 HydrophobicContact CG2-CE2 4.19Å; T210-F277 HydrophobicContact CG2-CG 4.49Å; W217-F277 HydrophobicContact CB-CE1 4.34Å; W217-F277 AromaticContact CD2-CD1 3.93Å; W217-F277 HydrophobicContact CD2-CD1 3.93Å; W217-F277 HydrophobicContact CD2-CE1 4.29Å; W217-F277 HydrophobicContact CE3-CB 4.2Å; W217-F277 AromaticContact CE3-CD1 3.38Å; W217-F277 HydrophobicContact CE3-CD1 3.38Å; W217-F277 AromaticContact CE3-CE1 3.9Å; W217-F277 HydrophobicContact CE3-CE1 3.9Å; W217-F277 AromaticContact CE3-CG 3.86Å; W217-F277 HydrophobicContact CE3-CG 3.86Å; W217-F277 HydrophobicContact CH2-CB 4.07Å; W217-F277 HydrophobicContact CH2-CD1 4.44Å; W217-F277 HydrophobicContact CZ3-CB 3.58Å; W217-F277 AromaticContact CZ3-CD1 3.69Å; W217-F277 HydrophobicContact CZ3-CD1 3.69Å; W217-F277 AromaticContact CZ3-CG 3.76Å; W217-F277 HydrophobicContact CZ3-CG 3.76Å; L218-F277 HydrophobicContact CD2-CZ 4.33Å; A256-F277 HydrophobicContact CB-CD2 4.39Å; A256-F277 HydrophobicContact CB-CE2 3.69Å; A256-F277 HydrophobicContact CB-CZ 4.18Å; R257-F277 WeakPolarHBondContact O-CA 3.44Å; V258-F277 HydrophobicContact CG1-CB 4.32Å; V258-F277 HydrophobicContact CG1-CD2 4.12Å; W274-F277 HydrophobicContact CB-CB 3.74Å; W274-F277 HydrophobicContact CG-CB 4.35Å; F277-K279 HydrophobicContact CZ-CD 4.42Å; F277-P397 HydrophobicContact CD1-CB 3.99Å; F277-P397 HydrophobicContact CE1-CB 4.04Å
278	L	98.9	Very high	97.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.1	170.4	-65.5	175.2	0	0	0	109.3	A256 R257 S276 F340 F344 I393 P397 M399	A256-L278 CarbonylContact C-O 3.59Å; A256-L278 WeakPolarHBondContact CA-O 3.26Å; A256-L278 VanDerWaalsContact CB-O 3.27Å; A256-L278 WeakPolarHBondContact CB-O 3.27Å; R257-L278 PolarHBondContact N-O 2.95Å; R257-L278 PolarHBondContact O-N 3.36Å; S276-L278 PolarHBondContact O-N 3.33Å; L278-F340 HydrophobicContact CB-CD1 3.71Å; L278-F340 HydrophobicContact CB-CE1 3.94Å; L278-F340 HydrophobicContact CD1-CD1 4.48Å; L278-F340 WeakPolarHBondContact O-CE1 3.42Å; L278-F344 HydrophobicContact CD1-CE1 3.96Å; L278-F344 HydrophobicContact CD2-CD1 4.22Å; L278-F344 HydrophobicContact CD2-CE1 3.68Å; L278-F344 HydrophobicContact CG-CE1 4.5Å; L278-I393 HydrophobicContact CD2-CD1 3.76Å; L278-I393 HydrophobicContact CD2-CG1 3.9Å; L278-I393 HydrophobicContact CG-CD1 3.93Å; L278-P397 CarbonylContact C-O 3.51Å; L278-P397 WeakPolarHBondContact CA-O 3.26Å; L278-M399 HydrophobicContact CB-SD 4.18Å; L278-M399 HydrophobicContact CD1-SD 3.93Å; L278-M399 HydrophobicContact CD2-SD 4.17Å; L278-M399 HydrophobicContact CG-SD 4.33Å
279	K	98.8	Very high	96.9	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	147	176.2	69.4	-176.2	176.8	-174.6	0	112.3	K216 W217 F237 E239 V255 A256 F277 P397 L398 M399	K216-K279 WeakPolarHBondContact O-CE 3.19Å; K216-K279 PolarHBondContact O-NZ 3.11Å; W217-K279 PolarHBondContact O-NZ 2.7Å; F237-K279 HydrophobicContact CZ-CD 4.12Å; E239-K279 WeakPolarHBondContact OE1-CD 3.47Å; E239-K279 WeakPolarHBondContact OE1-CE 3.41Å; E239-K279 IonicContact OE1-NZ 2.77Å; E239-K279 PolarHBondContact OE1-NZ 3.41Å; E239-K279 IonicContact OE2-NZ 3.17Å; E239-K279 PolarHBondContact OE2-NZ 2.96Å; V255-K279 CarbonylContact O-C 3.39Å; V255-K279 VanDerWaalsContact O-CA 3.3Å; V255-K279 WeakPolarHBondContact O-CA 3.23Å; A256-K279 HydrophobicContact CB-CB 3.82Å; F277-K279 HydrophobicContact CZ-CD 4.42Å; K279-P397 PolarHBondContact N-O 3.34Å; K279-L398 HydrophobicContact CG-CD1 4.08Å; K279-L398 WeakPolarHBondContact O-CA 3.33Å; K279-M399 PolarHBondContact O-N 3.48Å
280	S	98.8	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.3	174.4	173.5	0	0	0	0	110	R254 V255 E401	R254-S280 VanDerWaalsContact CA-O 3.3Å; R254-S280 WeakPolarHBondContact CA-O 3.26Å; V255-S280 PolarHBondContact N-O 2.85Å; V255-S280 PolarHBondContact O-N 3.37Å; S280-E401 PolarHBondContact OG-O 3.34Å
281	R	98.7	Very high	96.3	Very high	31 Å²	31	42.1 Å²	42.1	12%	0.117	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	138.9	173.9	179.6	-180	178.7	-165.3	0.4	109.8	F252 P253 Y293 N295 A402 V403	F252-R281 HydrophobicContact CD2-CG 4.32Å; F252-R281 HydrophobicContact CG-CG 4.47Å; P253-R281 WeakPolarHBondContact O-CA 3.43Å; R281-Y293 VanDerWaalsContact NH2-CG 3.34Å; R281-N295 PolarHBondContact NH2-OD1 3.14Å; R281-A402 HydrophobicContact CB-CB 3.92Å; R281-A402 HydrophobicContact CG-CB 4.19Å; R281-A402 CarbonylContact O-C 3.54Å; R281-A402 WeakPolarHBondContact O-CA 3.21Å; R281-A402 WeakPolarHBondContact O-CB 3.3Å; R281-V403 PolarHBondContact O-N 2.91Å
282	L	98.8	Very high	96.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.1	166.5	-66.9	164.4	0	0	0	109.8	F236 P253 V255 F316 Y331 V403	F236-L282 HydrophobicContact CD1-CD1 3.91Å; F236-L282 HydrophobicContact CE1-CD1 4.36Å; P253-L282 HydrophobicContact CB-CB 4.2Å; P253-L282 HydrophobicContact CB-CD1 4.38Å; P253-L282 HydrophobicContact CG-CB 4.06Å; P253-L282 WeakPolarHBondContact CG-O 3.44Å; P253-L282 PolarHBondContact O-N 2.98Å; V255-L282 HydrophobicContact CB-CD1 4.44Å; V255-L282 HydrophobicContact CB-CD2 4.07Å; V255-L282 HydrophobicContact CB-CG 4.29Å; V255-L282 HydrophobicContact CG1-CD2 3.78Å; V255-L282 HydrophobicContact CG1-CG 4.21Å; L282-F316 HydrophobicContact CB-CZ 4.41Å; L282-F316 HydrophobicContact CD1-CZ 4.41Å; L282-Y331 HydrophobicContact CB-CE1 4.23Å; L282-Y331 HydrophobicContact CD2-CD1 3.99Å; L282-Y331 HydrophobicContact CD2-CD2 4.34Å; L282-Y331 HydrophobicContact CD2-CE1 3.87Å; L282-Y331 HydrophobicContact CD2-CE2 4.24Å; L282-Y331 HydrophobicContact CD2-CG 4.22Å; L282-V403 HydrophobicContact CD2-CB 4.07Å; L282-V403 HydrophobicContact CD2-CG1 4.48Å; L282-V403 HydrophobicContact CD2-CG2 4.27Å
283	N	98.4	Very high	96.2	Very high	34 Å²	34	38.5 Å²	38.5	18%	0.182	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	103.7	176.1	-171.8	-2.8	0	0	0	111	S285 Y293 Y331 A402 V403 S405	N283-S285 WeakPolarHBondContact OD1-CB 3.35Å; N283-S285 PolarHBondContact OD1-OG 3.12Å; N283-Y293 WeakPolarHBondContact OD1-CE1 3.16Å; N283-Y331 PolarHBondContact O-OH 2.77Å; N283-A402 HydrophobicContact CB-CB 4.15Å; N283-V403 VanDerWaalsContact CB-O 3.3Å; N283-V403 WeakPolarHBondContact CB-O 3.46Å; N283-V403 PolarHBondContact N-O 2.77Å; N283-S405 PolarHBondContact O-N 2.86Å
284	C	98.3	Very high	96.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	21%	0.205	C	C	.	.			trans	-116.6	100.7	165.4	-168.1	0	0	0	0	108.8	F294 F316 C329 Y331	C284-F294 PolarHBondContact O-N 3.18Å; C284-F316 HydrophobicContact CB-CD1 4.29Å; C284-F316 HydrophobicContact CB-CD2 3.75Å; C284-F316 HydrophobicContact CB-CE1 4.35Å; C284-F316 HydrophobicContact CB-CE2 3.83Å; C284-F316 HydrophobicContact CB-CG 4Å; C284-F316 HydrophobicContact CB-CZ 4.15Å; C284-F316 VanDerWaalsContact SG-CD2 3.53Å; C284-C329 WeakPolarHBondContact CA-SG 3.38Å; C284-C329 HydrophobicContact CB-CB 3.78Å; C284-C329 WeakPolarHBondContact CB-SG 3.39Å; C284-C329 WeakPolarHBondContact SG-CB 3.35Å; C284-C329 CovalentContact SG-SG 2.05Å; C284-C329 PolarHBondContact SG-SG 3.39Å; C284-Y331 WeakPolarHBondContact CB-OH 3.27Å
285	S	97	Very high	96.2	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.9	-176.3	55.4	0	0	0	0	113.1	N283 F292 P410	N283-S285 WeakPolarHBondContact OD1-CB 3.35Å; N283-S285 PolarHBondContact OD1-OG 3.12Å; S285-F292 CarbonylContact C-O 3.47Å; S285-F292 WeakPolarHBondContact CA-O 3.41Å; S285-F292 WeakPolarHBondContact CB-O 3.09Å; S285-P410 WeakPolarHBondContact O-CD 3.43Å
286	I	95.3	Very high	96.2	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.097	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.3	168	-64.3	160.7	0	0	0	107.1	F20 P21 F292 F294 P410 L413	F20-I286 HydrophobicContact CD2-CD1 4.2Å; F20-I286 HydrophobicContact CE1-CD1 3.84Å; F20-I286 HydrophobicContact CE2-CD1 3.39Å; F20-I286 HydrophobicContact CZ-CD1 3.18Å; P21-I286 HydrophobicContact CG-CG2 4.27Å; I286-F292 PolarHBondContact N-O 2.91Å; I286-F292 PolarHBondContact O-N 3.49Å; I286-F292 VanDerWaalsContact O-N 3.12Å; I286-F294 HydrophobicContact CD1-CE2 3.76Å; I286-F294 HydrophobicContact CD1-CZ 4.09Å; I286-F294 HydrophobicContact CG1-CE2 4.1Å; I286-P410 HydrophobicContact CG1-CG 4.06Å; I286-L413 HydrophobicContact CD1-CD1 3.74Å; I286-L413 HydrophobicContact CD1-CD2 3.98Å; I286-L413 HydrophobicContact CG1-CD1 4.18Å; I286-L413 HydrophobicContact CG1-CD2 4.44Å
287	P	91.9	Very high	96.2	Very high	75 Å²	75	37.7 Å²	37.7	49%	0.487	21%	0.211	S	C	.	.			trans	-69	146.1	176.7	29.3	-34.1	0	0	0	110.7
288	G	89.2	Confident	96.2	Very high	48 Å²	48	38.7 Å²	38.7	50%	0.495	22%	0.215	S	C	.	.	S	Bend	trans	-179.9	-174.1	178.4	0	0	0	0	0	109.6	S290	G288-S290 PolarHBondContact O-N 3.43Å; G288-S290 VanDerWaalsContact O-N 3.1Å
289	D	87.3	Confident	96.2	Very high	179 Å²	179	39 Å²	39	96%	0.957	22%	0.218	S	C	*	.	S	Bend	trans	-51.6	-36.9	176.8	-66.5	-17.6	0	0	0	111.8
290	S	89.7	Confident	96.2	Very high	107 Å²	107	39.3 Å²	39.3	75%	0.748	22%	0.22	S	C	*	.	S	Bend	trans	-128.8	130.5	163.2	-70.8	0	0	0	0	109.1	G288 F292	G288-S290 PolarHBondContact O-N 3.43Å; G288-S290 VanDerWaalsContact O-N 3.1Å; S290-F292 PolarHBondContact O-N 3.38Å
291	H	93.3	Very high	96.2	Very high	92 Å²	92	39.8 Å²	39.8	43%	0.426	22%	0.223	S	C	.	.			trans	-67.7	132.2	-178.7	-71.3	62.3	0	0	0	110.7	Y293	H291-Y293 HydrophobicContact CB-CD2 4.27Å; H291-Y293 HydrophobicContact CB-CE1 4.39Å; H291-Y293 HydrophobicContact CB-CE2 3.55Å; H291-Y293 WeakPolarHBondContact O-CD2 3.49Å; H291-Y293 WeakPolarHBondContact O-CE2 3.12Å
292	F	95.9	Very high	96.1	Very high	91 Å²	91	43.1 Å²	43.1	40%	0.399	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.6	172.2	-174.6	-85.9	0	0	0	110.1	F20 S285 I286 S290 F294 T318	F20-F292 HydrophobicContact CE2-CB 4.26Å; F20-F292 AromaticContact CE2-CD1 3.78Å; F20-F292 HydrophobicContact CE2-CD1 3.78Å; F20-F292 HydrophobicContact CE2-CD2 4.3Å; F20-F292 HydrophobicContact CE2-CE1 4.18Å; F20-F292 AromaticContact CE2-CG 3.85Å; F20-F292 HydrophobicContact CE2-CG 3.85Å; F20-F292 HydrophobicContact CZ-CD1 4.28Å; F20-F292 HydrophobicContact CZ-CE1 4.39Å; S285-F292 CarbonylContact C-O 3.47Å; S285-F292 WeakPolarHBondContact CA-O 3.41Å; S285-F292 WeakPolarHBondContact CB-O 3.09Å; I286-F292 PolarHBondContact N-O 2.91Å; I286-F292 PolarHBondContact O-N 3.49Å; I286-F292 VanDerWaalsContact O-N 3.12Å; S290-F292 PolarHBondContact O-N 3.38Å; F292-F294 HydrophobicContact CD1-CD2 4.27Å; F292-F294 AromaticContact CD1-CE2 3.79Å; F292-F294 HydrophobicContact CD1-CE2 3.79Å; F292-F294 AromaticContact CD1-CZ 3.97Å; F292-F294 HydrophobicContact CD1-CZ 3.97Å; F292-F294 HydrophobicContact CE1-CD1 4.4Å; F292-F294 HydrophobicContact CE1-CD2 4.43Å; F292-F294 AromaticContact CE1-CE1 3.97Å; F292-F294 HydrophobicContact CE1-CE1 3.97Å; F292-F294 AromaticContact CE1-CE2 3.99Å; F292-F294 HydrophobicContact CE1-CE2 3.99Å; F292-F294 AromaticContact CE1-CZ 3.75Å; F292-F294 HydrophobicContact CE1-CZ 3.75Å; F292-T318 HydrophobicContact CE1-CG2 3.92Å; F292-T318 HydrophobicContact CZ-CG2 3.81Å
293	Y	97.2	Very high	96.1	Very high	74 Å²	74	45.2 Å²	45.2	29%	0.29	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.8	-173.4	-64.5	-88	0	0	0	113.4	R281 N283 H291	R281-Y293 VanDerWaalsContact NH2-CG 3.34Å; N283-Y293 WeakPolarHBondContact OD1-CE1 3.16Å; H291-Y293 HydrophobicContact CB-CD2 4.27Å; H291-Y293 HydrophobicContact CB-CE1 4.39Å; H291-Y293 HydrophobicContact CB-CE2 3.55Å; H291-Y293 WeakPolarHBondContact O-CD2 3.49Å; H291-Y293 WeakPolarHBondContact O-CE2 3.12Å
294	F	98.4	Very high	95.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.252	C	S	.	.			trans	-97.9	100.9	166.9	-61.9	-95.9	0	0	0	109.1	F20 C284 I286 F292 F316 T318 A327 P410 L413	F20-F294 HydrophobicContact CZ-CZ 4.2Å; C284-F294 PolarHBondContact O-N 3.18Å; I286-F294 HydrophobicContact CD1-CE2 3.76Å; I286-F294 HydrophobicContact CD1-CZ 4.09Å; I286-F294 HydrophobicContact CG1-CE2 4.1Å; F292-F294 HydrophobicContact CD1-CD2 4.27Å; F292-F294 AromaticContact CD1-CE2 3.79Å; F292-F294 HydrophobicContact CD1-CE2 3.79Å; F292-F294 AromaticContact CD1-CZ 3.97Å; F292-F294 HydrophobicContact CD1-CZ 3.97Å; F292-F294 HydrophobicContact CE1-CD1 4.4Å; F292-F294 HydrophobicContact CE1-CD2 4.43Å; F292-F294 AromaticContact CE1-CE1 3.97Å; F292-F294 HydrophobicContact CE1-CE1 3.97Å; F292-F294 AromaticContact CE1-CE2 3.99Å; F292-F294 HydrophobicContact CE1-CE2 3.99Å; F292-F294 AromaticContact CE1-CZ 3.75Å; F292-F294 HydrophobicContact CE1-CZ 3.75Å; F294-F316 HydrophobicContact CB-CB 3.52Å; F294-F316 HydrophobicContact CB-CG 4.43Å; F294-F316 VanDerWaalsContact O-CD1 3.28Å; F294-F316 WeakPolarHBondContact O-CD1 3.43Å; F294-T318 HydrophobicContact CD1-CG2 4.04Å; F294-T318 HydrophobicContact CE1-CG2 4.09Å; F294-A327 HydrophobicContact CB-CB 4.06Å; F294-A327 HydrophobicContact CD1-CB 3.73Å; F294-A327 HydrophobicContact CD2-CB 3.51Å; F294-A327 HydrophobicContact CE1-CB 3.97Å; F294-A327 HydrophobicContact CE2-CB 3.77Å; F294-A327 HydrophobicContact CG-CB 3.49Å; F294-A327 VanDerWaalsContact CG-CB 3.49Å; F294-A327 HydrophobicContact CZ-CB 3.98Å; F294-P410 HydrophobicContact CE2-CG 4.39Å; F294-L413 HydrophobicContact CE2-CD2 3.86Å; F294-L413 HydrophobicContact CZ-CD2 3.7Å
295	N	98.1	Very high	95.6	Very high	22 Å²	22	49.3 Å²	49.3	12%	0.118	27%	0.274	C	S	.	.			trans	-98.1	-19	-169	-68.7	-45.6	0	0	0	114.6	V251 P253 R281 L297 S317	V251-N295 VanDerWaalsContact O-CB 3.23Å; V251-N295 WeakPolarHBondContact O-CB 3.47Å; P253-N295 VanDerWaalsContact CD-O 3.3Å; P253-N295 WeakPolarHBondContact CD-O 3.49Å; R281-N295 PolarHBondContact NH2-OD1 3.14Å; N295-L297 PolarHBondContact O-N 3.48Å; N295-L297 VanDerWaalsContact O-N 3.15Å; N295-S317 PolarHBondContact N-O 2.74Å
296	I	98.6	Very high	95.2	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.046	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	87.8	-176.1	-46.5	-55.3	0	0	0	109.3	V251 Q298 F316 S317 P319 Y320	V251-I296 HydrophobicContact CB-CD1 3.92Å; V251-I296 HydrophobicContact CG1-CD1 3.93Å; I296-Q298 PolarHBondContact O-N 3.32Å; I296-F316 CarbonylContact O-C 3.54Å; I296-F316 WeakPolarHBondContact O-CA 3.46Å; I296-S317 WeakPolarHBondContact CB-O 3.28Å; I296-S317 WeakPolarHBondContact CG1-O 3.42Å; I296-S317 PolarHBondContact N-O 2.83Å; I296-S317 PolarHBondContact O-N 2.96Å; I296-P319 HydrophobicContact CD1-CG 4.45Å; I296-P319 HydrophobicContact CG1-CG 4.48Å; I296-Y320 HydrophobicContact CG2-CE2 4.27Å
297	L	98.9	Very high	94.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	128.1	174.6	177.5	69.3	0	0	0	111.3	V224 F236 R238 P253 N295 V300 A314 F316	V224-L297 HydrophobicContact CB-CD2 3.98Å; V224-L297 HydrophobicContact CB-CG 4.37Å; V224-L297 HydrophobicContact CG1-CD2 4.2Å; V224-L297 HydrophobicContact CG1-CG 4.19Å; V224-L297 HydrophobicContact CG2-CD2 3.9Å; V224-L297 HydrophobicContact CG2-CG 4.05Å; F236-L297 HydrophobicContact CB-CD2 4.08Å; R238-L297 HydrophobicContact CB-CB 4.49Å; R238-L297 PolarHBondContact NH1-O 2.78Å; P253-L297 HydrophobicContact CB-CB 3.9Å; N295-L297 PolarHBondContact O-N 3.48Å; N295-L297 VanDerWaalsContact O-N 3.15Å; L297-V300 HydrophobicContact CD1-CG2 3.74Å; L297-V300 HydrophobicContact CD2-CG2 4.03Å; L297-V300 HydrophobicContact CG-CG2 4.29Å; L297-A314 HydrophobicContact CD1-CB 3.78Å; L297-F316 HydrophobicContact CB-CD1 4.05Å; L297-F316 HydrophobicContact CB-CE1 3.96Å; L297-F316 HydrophobicContact CD1-CD1 4.05Å; L297-F316 HydrophobicContact CD1-CE1 3.54Å; L297-F316 HydrophobicContact CD1-CE2 4.2Å; L297-F316 HydrophobicContact CD1-CZ 3.61Å; L297-F316 HydrophobicContact CG-CE1 4.34Å
298	Q	98.5	Very high	94.1	Very high	20 Å²	20	52.3 Å²	52.3	9%	0.093	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-46.3	-176.2	-62.3	-65	-28.5	0	0	113.3	V224 I296 T315 S317 Y320 L421	V224-Q298 WeakPolarHBondContact CG1-O 3Å; I296-Q298 PolarHBondContact O-N 3.32Å; Q298-T315 PolarHBondContact N-O 2.76Å; Q298-S317 PolarHBondContact NE2-OG 2.74Å; Q298-Y320 PolarHBondContact NE2-OH 2.93Å; Q298-L421 WeakPolarHBondContact CG-O 3.26Å
299	A	98.6	Very high	94.1	Very high	8 Å²	8	53.8 Å²	53.8	7%	0.066	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.3	175.9	0	0	0	0	0	111	V224 A314 T315 T422 I424	V224-A299 VanDerWaalsContact CG1-CA 3.47Å; A299-A314 CarbonylContact O-C 3.49Å; A299-A314 VanDerWaalsContact O-CA 3.22Å; A299-A314 WeakPolarHBondContact O-CA 3.3Å; A299-T315 WeakPolarHBondContact CB-OG1 3.31Å; A299-T315 PolarHBondContact N-OG1 2.89Å; A299-T315 PolarHBondContact O-N 3.45Å; A299-T315 PolarHBondContact O-OG1 3.35Å; A299-T422 WeakPolarHBondContact CB-O 3.44Å; A299-I424 HydrophobicContact CB-CG2 3.94Å
300	V	98.8	Very high	94.6	Very high	11 Å²	11	47.6 Å²	47.6	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.8	172.3	-171.4	0	0	0	0	107.6	V224 Q225 F236 L297 V312 M313 A314	V224-V300 HydrophobicContact CG1-CG2 4.22Å; Q225-V300 HydrophobicContact CB-CB 3.87Å; Q225-V300 HydrophobicContact CB-CG2 4.43Å; Q225-V300 HydrophobicContact CG-CB 4.08Å; F236-V300 HydrophobicContact CB-CB 4.43Å; F236-V300 HydrophobicContact CB-CG2 3.71Å; F236-V300 HydrophobicContact CD1-CG1 4.16Å; F236-V300 HydrophobicContact CD1-CG2 4Å; F236-V300 HydrophobicContact CD2-CG1 4.16Å; F236-V300 HydrophobicContact CE1-CG1 4.28Å; F236-V300 HydrophobicContact CE2-CG1 4.27Å; F236-V300 HydrophobicContact CG-CB 4.3Å; F236-V300 HydrophobicContact CG-CG1 4.12Å; F236-V300 HydrophobicContact CG-CG2 3.85Å; F236-V300 HydrophobicContact CZ-CG1 4.34Å; L297-V300 HydrophobicContact CD1-CG2 3.74Å; L297-V300 HydrophobicContact CD2-CG2 4.03Å; L297-V300 HydrophobicContact CG-CG2 4.29Å; V300-V312 HydrophobicContact CG1-CB 3.9Å; V300-V312 HydrophobicContact CG1-CG1 4.49Å; V300-V312 HydrophobicContact CG1-CG2 4.24Å; V300-M313 CarbonylContact C-O 3.5Å; V300-M313 WeakPolarHBondContact CA-O 3.37Å; V300-A314 HydrophobicContact CB-CB 4.48Å; V300-A314 HydrophobicContact CG1-CB 4.41Å; V300-A314 HydrophobicContact CG2-CB 3.9Å
301	T	98.5	Very high	94.9	Very high	10 Å²	10	42.5 Å²	42.5	6%	0.061	22%	0.223	C	C	.	.			trans	-72.4	169.8	173.6	62	0	0	0	0	111.6	I304 M313 I424 V426	T301-I304 HydrophobicContact CG2-CD1 3.86Å; T301-I304 WeakPolarHBondContact OG1-CD1 3.3Å; T301-M313 HydrophobicContact CG2-CB 4.04Å; T301-M313 PolarHBondContact N-O 3.15Å; T301-M313 PolarHBondContact OG1-N 2.91Å; T301-I424 HydrophobicContact CG2-CB 4.42Å; T301-I424 HydrophobicContact CG2-CD1 4.16Å; T301-I424 HydrophobicContact CG2-CG1 3.9Å; T301-I424 HydrophobicContact CG2-CG2 3.77Å; T301-V426 HydrophobicContact CG2-CG2 3.89Å
302	D	97.5	Very high	95.1	Very high	102 Å²	102	38.1 Å²	38.1	55%	0.545	20%	0.202	S	C	.	.			trans	-65.1	174.2	155	-65.9	-41.2	0	0	0	110.6	Q225 I304	Q225-D302 PolarHBondContact NE2-OD1 3.07Å; D302-I304 PolarHBondContact O-N 2.77Å
303	V	97.9	Very high	95.2	Very high	45 Å²	45	33.8 Å²	33.8	27%	0.273	18%	0.183	S	C	.	.			trans	-68.9	123.7	174.6	-179.6	0	0	0	0	108.8	V227 Y229 D310 V312 M333	V227-V303 HydrophobicContact CB-CG2 4.07Å; V227-V303 HydrophobicContact CG2-CG2 3.92Å; Y229-V303 HydrophobicContact CD2-CG1 4.02Å; Y229-V303 HydrophobicContact CD2-CG2 4.07Å; Y229-V303 HydrophobicContact CE2-CG1 4.11Å; Y229-V303 HydrophobicContact CG-CG2 4.43Å; V303-D310 HydrophobicContact CG1-CB 3.73Å; V303-V312 HydrophobicContact CG2-CG1 4.06Å; V303-M333 HydrophobicContact CG1-CG 4.25Å; V303-M333 HydrophobicContact CG2-CG 4.26Å; V303-M333 HydrophobicContact CG2-SD 4.41Å
304	I	95.3	Very high	95.3	Very high	20 Å²	20	30.2 Å²	30.2	10%	0.103	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.7	-178.8	-57.3	153.4	0	0	0	108.3	T301 D302 I306 V311 V426 N428	T301-I304 HydrophobicContact CG2-CD1 3.86Å; T301-I304 WeakPolarHBondContact OG1-CD1 3.3Å; D302-I304 PolarHBondContact O-N 2.77Å; I304-I306 HydrophobicContact CB-CG1 4.39Å; I304-I306 HydrophobicContact CG2-CD1 4.1Å; I304-I306 HydrophobicContact CG2-CG1 3.7Å; I304-V311 HydrophobicContact CB-CG2 4.5Å; I304-V311 PolarHBondContact N-O 3.35Å; I304-V311 PolarHBondContact O-N 3.11Å; I304-V426 HydrophobicContact CD1-CB 3.57Å; I304-V426 HydrophobicContact CD1-CG1 3.98Å; I304-V426 HydrophobicContact CD1-CG2 3.61Å; I304-V426 HydrophobicContact CG2-CG1 4.47Å; I304-N428 HydrophobicContact CG2-CB 3.54Å
305	H	92.7	Very high	95.3	Very high	101 Å²	101	30.2 Å²	30.2	47%	0.468	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.2	174.8	-167.5	76.1	0	0	0	110.4	G308 R309 D310 N428	H305-G308 VanDerWaalsContact CE1-C 3.5Å; H305-G308 VanDerWaalsContact CE1-CA 3.46Å; H305-G308 WeakPolarHBondContact CE1-CA 3.31Å; H305-G308 WeakPolarHBondContact NE2-CA 3.46Å; H305-G308 PolarHBondContact NE2-N 2.87Å; H305-R309 CarbonylContact C-O 3.53Å; H305-R309 WeakPolarHBondContact CA-O 3.4Å; H305-D310 IonicContact CE1-OD1 2.64Å; H305-D310 IonicContact CG-OD1 2.69Å; H305-D310 IonicContact ND1-OD1 3.1Å; H305-D310 PolarHBondContact ND1-OD1 3.17Å; H305-N428 PolarHBondContact O-ND2 2.97Å
306	I	87.1	Confident	95.3	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	118	179.3	-33.7	174.8	0	0	0	110	I304 G308 R309 V311 M313 N428 T437 M455	I304-I306 HydrophobicContact CB-CG1 4.39Å; I304-I306 HydrophobicContact CG2-CD1 4.1Å; I304-I306 HydrophobicContact CG2-CG1 3.7Å; I306-G308 PolarHBondContact O-N 3.02Å; I306-R309 PolarHBondContact N-O 2.97Å; I306-R309 PolarHBondContact O-N 2.85Å; I306-R309 VanDerWaalsContact O-N 3.09Å; I306-V311 HydrophobicContact CD1-CG2 3.47Å; I306-V311 VanDerWaalsContact CD1-CG2 3.47Å; I306-V311 HydrophobicContact CG1-CG2 3.86Å; I306-M313 HydrophobicContact CD1-CE 3.44Å; I306-M313 VanDerWaalsContact CD1-CE 3.44Å; I306-N428 HydrophobicContact CG1-CB 4.47Å; I306-T437 HydrophobicContact CD1-CG2 4.09Å; I306-T437 WeakPolarHBondContact CG2-OG1 3.3Å; I306-M455 HydrophobicContact CB-CE 3.45Å; I306-M455 VanDerWaalsContact CB-CE 3.45Å; I306-M455 HydrophobicContact CG2-CE 3.13Å; I306-M455 WeakPolarHBondContact O-CE 3.4Å
307	N	79.1	Confident	95.3	Very high	92 Å²	92	28.8 Å²	28.8	49%	0.492	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	51.7	-178	-64.9	-11.6	0	0	0	114.6	R309 M455	N307-R309 VanDerWaalsContact C-N 3.27Å; N307-R309 PolarHBondContact O-N 2.88Å; N307-M455 HydrophobicContact CB-CE 3.49Å; N307-M455 VanDerWaalsContact CB-CE 3.49Å; N307-M455 HydrophobicContact CB-SD 3.92Å; N307-M455 WeakPolarHBondContact ND2-CB 3.35Å; N307-M455 WeakPolarHBondContact ND2-CG 3.34Å; N307-M455 PolarHBondContact ND2-SD 2.85Å
308	G	85	Confident	95.3	Very high	63 Å²	63	28.9 Å²	28.9	65%	0.649	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	4.5	176.5	0	0	0	0	0	114.6	H305 I306	H305-G308 VanDerWaalsContact CE1-C 3.5Å; H305-G308 VanDerWaalsContact CE1-CA 3.46Å; H305-G308 WeakPolarHBondContact CE1-CA 3.31Å; H305-G308 WeakPolarHBondContact NE2-CA 3.46Å; H305-G308 PolarHBondContact NE2-N 2.87Å; I306-G308 PolarHBondContact O-N 3.02Å
309	R	90.4	Very high	95.2	Very high	80 Å²	80	30.2 Å²	30.2	30%	0.302	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.5	177.6	-61.5	177.8	-179.8	-100.4	0.7	111	H305 I306 N307 V311 D332	H305-R309 CarbonylContact C-O 3.53Å; H305-R309 WeakPolarHBondContact CA-O 3.4Å; I306-R309 PolarHBondContact N-O 2.97Å; I306-R309 PolarHBondContact O-N 2.85Å; I306-R309 VanDerWaalsContact O-N 3.09Å; N307-R309 VanDerWaalsContact C-N 3.27Å; N307-R309 PolarHBondContact O-N 2.88Å; R309-V311 HydrophobicContact CB-CG1 3.97Å; R309-D332 IonicContact CZ-OD2 2.78Å; R309-D332 IonicContact NH1-OD2 2.81Å; R309-D332 PolarHBondContact NH1-OD2 2.75Å
310	D	96.2	Very high	94.9	Very high	48 Å²	48	36 Å²	36	26%	0.257	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.7	170.3	-64.7	-28.9	0	0	0	108.7	Y229 V303 H305 M333	Y229-D310 HydrophobicContact CE2-CB 3.8Å; Y229-D310 VanDerWaalsContact CE2-OD2 3.26Å; Y229-D310 WeakPolarHBondContact CE2-OD2 3.47Å; Y229-D310 PolarHBondContact OH-OD2 2.84Å; V303-D310 HydrophobicContact CG1-CB 3.73Å; H305-D310 IonicContact CE1-OD1 2.64Å; H305-D310 IonicContact CG-OD1 2.69Å; H305-D310 IonicContact ND1-OD1 3.1Å; H305-D310 PolarHBondContact ND1-OD1 3.17Å; D310-M333 HydrophobicContact CB-CB 4.31Å; D310-M333 HydrophobicContact CB-CG 4.36Å; D310-M333 WeakPolarHBondContact O-CB 3.32Å; D310-M333 WeakPolarHBondContact O-CG 3.46Å; D310-M333 PolarHBondContact O-N 3.26Å
311	V	96.1	Very high	94.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154	-172.9	-50.9	0	0	0	0	111.6	I304 I306 R309 Y331 I406	I304-V311 HydrophobicContact CB-CG2 4.5Å; I304-V311 PolarHBondContact N-O 3.35Å; I304-V311 PolarHBondContact O-N 3.11Å; I306-V311 HydrophobicContact CD1-CG2 3.47Å; I306-V311 VanDerWaalsContact CD1-CG2 3.47Å; I306-V311 HydrophobicContact CG1-CG2 3.86Å; R309-V311 HydrophobicContact CB-CG1 3.97Å; V311-Y331 VanDerWaalsContact CA-O 3.27Å; V311-Y331 WeakPolarHBondContact CA-O 3.38Å; V311-I406 HydrophobicContact CB-CD1 4.35Å; V311-I406 HydrophobicContact CG1-CD1 3.71Å
312	V	98.2	Very high	94.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.7	163.2	-65.5	0	0	0	0	109.1	F236 V300 V303 A330 Y331 M333	F236-V312 HydrophobicContact CE1-CG2 4.15Å; F236-V312 HydrophobicContact CZ-CG1 4.5Å; F236-V312 HydrophobicContact CZ-CG2 3.92Å; V300-V312 HydrophobicContact CG1-CB 3.9Å; V300-V312 HydrophobicContact CG1-CG1 4.49Å; V300-V312 HydrophobicContact CG1-CG2 4.24Å; V303-V312 HydrophobicContact CG2-CG1 4.06Å; V312-A330 CarbonylContact O-C 3.48Å; V312-A330 VanDerWaalsContact O-CA 3.31Å; V312-A330 WeakPolarHBondContact O-CA 3.37Å; V312-Y331 HydrophobicContact CG2-CD2 4.46Å; V312-Y331 PolarHBondContact N-O 2.99Å; V312-Y331 PolarHBondContact O-N 2.75Å; V312-M333 HydrophobicContact CG1-SD 3.86Å; V312-M333 HydrophobicContact CG2-SD 4.17Å
313	M	97.8	Very high	94.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.5	171.9	-59.6	-167.8	-165.1	0	0	109.9	V300 T301 I306 A330 W411 I424 V426 T437 V439	V300-M313 CarbonylContact C-O 3.5Å; V300-M313 WeakPolarHBondContact CA-O 3.37Å; T301-M313 HydrophobicContact CG2-CB 4.04Å; T301-M313 PolarHBondContact N-O 3.15Å; T301-M313 PolarHBondContact OG1-N 2.91Å; I306-M313 HydrophobicContact CD1-CE 3.44Å; I306-M313 VanDerWaalsContact CD1-CE 3.44Å; M313-A330 HydrophobicContact CG-CB 4.05Å; M313-W411 HydrophobicContact CE-CE3 4.4Å; M313-W411 HydrophobicContact CE-CH2 4.07Å; M313-W411 HydrophobicContact CE-CZ3 3.47Å; M313-W411 VanDerWaalsContact CE-CZ3 3.47Å; M313-W411 HydrophobicContact SD-CE3 4.47Å; M313-W411 HydrophobicContact SD-CZ3 4.03Å; M313-I424 HydrophobicContact CB-CD1 3.56Å; M313-I424 HydrophobicContact SD-CD1 4.49Å; M313-V426 HydrophobicContact CE-CG1 4.36Å; M313-V426 HydrophobicContact CE-CG2 4.45Å; M313-V426 HydrophobicContact SD-CG2 3.95Å; M313-T437 HydrophobicContact CE-CG2 4.34Å; M313-V439 HydrophobicContact CE-CG2 4.14Å; M313-V439 HydrophobicContact SD-CG2 3.75Å
314	A	98.7	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.1	-175.3	0	0	0	0	0	111.8	L297 A299 V300 F316 V328 C329 Y331	L297-A314 HydrophobicContact CD1-CB 3.78Å; A299-A314 CarbonylContact O-C 3.49Å; A299-A314 VanDerWaalsContact O-CA 3.22Å; A299-A314 WeakPolarHBondContact O-CA 3.3Å; V300-A314 HydrophobicContact CB-CB 4.48Å; V300-A314 HydrophobicContact CG1-CB 4.41Å; V300-A314 HydrophobicContact CG2-CB 3.9Å; A314-F316 HydrophobicContact CB-CD2 4.33Å; A314-F316 HydrophobicContact CB-CE2 3.42Å; A314-F316 VanDerWaalsContact CB-CE2 3.42Å; A314-F316 HydrophobicContact CB-CZ 3.75Å; A314-F316 WeakPolarHBondContact O-CD2 3.41Å; A314-F316 WeakPolarHBondContact O-CE2 3.29Å; A314-V328 WeakPolarHBondContact O-CA 2.9Å; A314-C329 PolarHBondContact N-O 2.82Å; A314-C329 PolarHBondContact O-N 3.26Å; A314-Y331 HydrophobicContact CB-CE2 4.16Å
315	T	98.8	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.4	174.4	48	0	0	0	0	109.5	Q298 A299 A327 V328 T422 I424 L441	Q298-T315 PolarHBondContact N-O 2.76Å; A299-T315 WeakPolarHBondContact CB-OG1 3.31Å; A299-T315 PolarHBondContact N-OG1 2.89Å; A299-T315 PolarHBondContact O-N 3.45Å; A299-T315 PolarHBondContact O-OG1 3.35Å; T315-A327 CarbonylContact C-O 3.5Å; T315-A327 WeakPolarHBondContact CA-O 3.43Å; T315-V328 HydrophobicContact CG2-CG2 4.15Å; T315-T422 PolarHBondContact OG1-O 3.45Å; T315-I424 HydrophobicContact CG2-CB 4.05Å; T315-I424 HydrophobicContact CG2-CD1 4.43Å; T315-I424 HydrophobicContact CG2-CG2 4.41Å; T315-L441 HydrophobicContact CG2-CD2 4.03Å
316	F	98.8	Very high	94.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	156.1	177.8	-59.8	-98.9	0	0	0	109.7	P253 L282 C284 F294 I296 L297 A314 S326 A327 C329 Y331	P253-F316 HydrophobicContact CB-CD1 4.19Å; P253-F316 HydrophobicContact CB-CE1 3.6Å; P253-F316 HydrophobicContact CG-CD1 4.27Å; P253-F316 HydrophobicContact CG-CE1 3.82Å; L282-F316 HydrophobicContact CB-CZ 4.41Å; L282-F316 HydrophobicContact CD1-CZ 4.41Å; C284-F316 HydrophobicContact CB-CD1 4.29Å; C284-F316 HydrophobicContact CB-CD2 3.75Å; C284-F316 HydrophobicContact CB-CE1 4.35Å; C284-F316 HydrophobicContact CB-CE2 3.83Å; C284-F316 HydrophobicContact CB-CG 4Å; C284-F316 HydrophobicContact CB-CZ 4.15Å; C284-F316 VanDerWaalsContact SG-CD2 3.53Å; F294-F316 HydrophobicContact CB-CB 3.52Å; F294-F316 HydrophobicContact CB-CG 4.43Å; F294-F316 VanDerWaalsContact O-CD1 3.28Å; F294-F316 WeakPolarHBondContact O-CD1 3.43Å; I296-F316 CarbonylContact O-C 3.54Å; I296-F316 WeakPolarHBondContact O-CA 3.46Å; L297-F316 HydrophobicContact CB-CD1 4.05Å; L297-F316 HydrophobicContact CB-CE1 3.96Å; L297-F316 HydrophobicContact CD1-CD1 4.05Å; L297-F316 HydrophobicContact CD1-CE1 3.54Å; L297-F316 HydrophobicContact CD1-CE2 4.2Å; L297-F316 HydrophobicContact CD1-CZ 3.61Å; L297-F316 HydrophobicContact CG-CE1 4.34Å; A314-F316 HydrophobicContact CB-CD2 4.33Å; A314-F316 HydrophobicContact CB-CE2 3.42Å; A314-F316 VanDerWaalsContact CB-CE2 3.42Å; A314-F316 HydrophobicContact CB-CZ 3.75Å; A314-F316 WeakPolarHBondContact O-CD2 3.41Å; A314-F316 WeakPolarHBondContact O-CE2 3.29Å; F316-S326 CarbonylContact O-C 3.49Å; F316-S326 WeakPolarHBondContact O-CA 3.37Å; F316-A327 PolarHBondContact N-O 3.3Å; F316-A327 PolarHBondContact O-N 3.46Å; F316-C329 HydrophobicContact CD2-CB 4.4Å; F316-C329 HydrophobicContact CE2-CB 3.99Å; F316-Y331 AromaticContact CE2-CE2 3.93Å; F316-Y331 HydrophobicContact CE2-CE2 3.93Å; F316-Y331 AromaticContact CZ-CE2 3.85Å; F316-Y331 HydrophobicContact CZ-CE2 3.85Å; F316-Y331 AromaticContact CZ-CZ 3.99Å; F316-Y331 VanDerWaalsContact CZ-OH 3.26Å; F316-Y331 WeakPolarHBondContact CZ-OH 3.08Å
317	S	98.5	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	167.4	169.1	61.9	0	0	0	0	112.5	N295 I296 Q298 G325 R420	N295-S317 PolarHBondContact N-O 2.74Å; I296-S317 WeakPolarHBondContact CB-O 3.28Å; I296-S317 WeakPolarHBondContact CG1-O 3.42Å; I296-S317 PolarHBondContact N-O 2.83Å; I296-S317 PolarHBondContact O-N 2.96Å; Q298-S317 PolarHBondContact NE2-OG 2.74Å; S317-G325 CarbonylContact C-O 3.56Å; S317-G325 WeakPolarHBondContact CA-O 3.29Å; S317-G325 WeakPolarHBondContact CB-O 3.12Å; S317-R420 WeakPolarHBondContact OG-CD 3.41Å
318	T	98	Very high	96.1	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	20%	0.198	C	C	.	.			trans	-71	156.4	167	60.2	0	0	0	0	110.5	F292 F294 S322 I323 G325	F292-T318 HydrophobicContact CE1-CG2 3.92Å; F292-T318 HydrophobicContact CZ-CG2 3.81Å; F294-T318 HydrophobicContact CD1-CG2 4.04Å; F294-T318 HydrophobicContact CE1-CG2 4.09Å; T318-S322 VanDerWaalsContact CB-OG 3.28Å; T318-S322 WeakPolarHBondContact CB-OG 3.47Å; T318-S322 PolarHBondContact OG1-OG 3.36Å; T318-I323 WeakPolarHBondContact CB-O 2.94Å; T318-I323 PolarHBondContact OG1-O 3.03Å; T318-G325 PolarHBondContact N-O 3.08Å; T318-G325 PolarHBondContact OG1-N 3.14Å
319	P	96.7	Very high	96.7	Very high	48 Å²	48	32.6 Å²	32.6	31%	0.312	17%	0.167	S	C	.	.			trans	-48.3	147.8	174.1	-29.2	36.5	0	0	0	113.8	I296 N321 S322 R420	I296-P319 HydrophobicContact CD1-CG 4.45Å; I296-P319 HydrophobicContact CG1-CG 4.48Å; P319-N321 VanDerWaalsContact CB-OD1 3.31Å; P319-N321 WeakPolarHBondContact CB-OD1 3.38Å; P319-N321 PolarHBondContact O-N 2.92Å; P319-S322 WeakPolarHBondContact CD-OG 3.42Å; P319-S322 PolarHBondContact O-N 2.93Å; P319-S322 PolarHBondContact O-OG 3Å; P319-R420 PolarHBondContact O-NH2 3.32Å
320	Y	93.3	Very high	96.9	Very high	128 Å²	128	28.8 Å²	28.8	50%	0.502	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.4	-176.4	-68.6	-74.3	0	0	0	114	I296 Q298 S322	I296-Y320 HydrophobicContact CG2-CE2 4.27Å; Q298-Y320 PolarHBondContact NE2-OH 2.93Å; Y320-S322 VanDerWaalsContact C-N 3.32Å
321	N	93	Very high	97	Very high	152 Å²	152	26.5 Å²	26.5	81%	0.813	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	21.5	177.5	65.8	-31.8	0	0	0	113.7	P319	P319-N321 VanDerWaalsContact CB-OD1 3.31Å; P319-N321 WeakPolarHBondContact CB-OD1 3.38Å; P319-N321 PolarHBondContact O-N 2.92Å
322	S	94.6	Very high	97	Very high	46 Å²	46	27.2 Å²	27.2	32%	0.322	14%	0.144	S	C	.	.	S	Bend	trans	-127	175.2	179.5	71.3	0	0	0	0	111.3	T318 P319 Y320 P324	T318-S322 VanDerWaalsContact CB-OG 3.28Å; T318-S322 WeakPolarHBondContact CB-OG 3.47Å; T318-S322 PolarHBondContact OG1-OG 3.36Å; P319-S322 WeakPolarHBondContact CD-OG 3.42Å; P319-S322 PolarHBondContact O-N 2.93Å; P319-S322 PolarHBondContact O-OG 3Å; Y320-S322 VanDerWaalsContact C-N 3.32Å; S322-P324 WeakPolarHBondContact O-CD 3.23Å
323	I	95.1	Very high	96.9	Very high	146 Å²	146	27.2 Å²	27.2	75%	0.749	14%	0.144	S	C	*	.			trans	-58.6	124.4	173.4	-60.3	175.1	0	0	0	108.4	T318 G325	T318-I323 WeakPolarHBondContact CB-O 2.94Å; T318-I323 PolarHBondContact OG1-O 3.03Å; I323-G325 PolarHBondContact O-N 2.81Å
324	P	96.4	Very high	96.9	Very high	29 Å²	29	30 Å²	30	19%	0.188	17%	0.168	C	C	.	.			trans	-61.9	128.1	-177.2	-22.9	33.5	0	0	0	111.7	S322	S322-P324 WeakPolarHBondContact O-CD 3.23Å
325	G	97.4	Very high	96.8	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	18%	0.182	C	C	.	.			trans	-149.1	146.6	169.3	0	0	0	0	0	109.4	S317 T318 I323 K414	S317-G325 CarbonylContact C-O 3.56Å; S317-G325 WeakPolarHBondContact CA-O 3.29Å; S317-G325 WeakPolarHBondContact CB-O 3.12Å; T318-G325 PolarHBondContact N-O 3.08Å; T318-G325 PolarHBondContact OG1-N 3.14Å; I323-G325 PolarHBondContact O-N 2.81Å; G325-K414 CarbonylContact C-O 3.52Å; G325-K414 WeakPolarHBondContact CA-O 3.29Å
326	S	98.5	Very high	96.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.7	176.3	-53.8	0	0	0	0	110.9	F316 K414 R420 L421	F316-S326 CarbonylContact O-C 3.49Å; F316-S326 WeakPolarHBondContact O-CA 3.37Å; S326-K414 PolarHBondContact N-O 2.94Å; S326-K414 PolarHBondContact O-N 3.5Å; S326-R420 WeakPolarHBondContact OG-CA 3.23Å; S326-L421 PolarHBondContact OG-N 3.32Å
327	A	98.1	Very high	96.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149	-179.1	0	0	0	0	0	110.8	F294 T315 F316 P410 F412 L413	F294-A327 HydrophobicContact CB-CB 4.06Å; F294-A327 HydrophobicContact CD1-CB 3.73Å; F294-A327 HydrophobicContact CD2-CB 3.51Å; F294-A327 HydrophobicContact CE1-CB 3.97Å; F294-A327 HydrophobicContact CE2-CB 3.77Å; F294-A327 HydrophobicContact CG-CB 3.49Å; F294-A327 VanDerWaalsContact CG-CB 3.49Å; F294-A327 HydrophobicContact CZ-CB 3.98Å; T315-A327 CarbonylContact C-O 3.5Å; T315-A327 WeakPolarHBondContact CA-O 3.43Å; F316-A327 PolarHBondContact N-O 3.3Å; F316-A327 PolarHBondContact O-N 3.46Å; A327-P410 HydrophobicContact CB-CB 3.94Å; A327-P410 HydrophobicContact CB-CG 4.04Å; A327-F412 CarbonylContact C-O 3.58Å; A327-F412 VanDerWaalsContact CA-O 3.31Å; A327-F412 WeakPolarHBondContact CA-O 3.46Å; A327-L413 HydrophobicContact CB-CD2 3.84Å
328	V	98	Very high	96.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.7	167.9	-176.5	0	0	0	0	108.6	A314 T315 P410 W411 F412 I424 L441 F451	A314-V328 WeakPolarHBondContact O-CA 2.9Å; T315-V328 HydrophobicContact CG2-CG2 4.15Å; V328-P410 CarbonylContact O-C 3.58Å; V328-P410 WeakPolarHBondContact O-CA 3.11Å; V328-W411 PolarHBondContact O-N 2.98Å; V328-F412 HydrophobicContact CB-CB 4.01Å; V328-F412 HydrophobicContact CG2-CB 4.01Å; V328-F412 PolarHBondContact N-O 3.14Å; V328-I424 HydrophobicContact CG1-CD1 4.03Å; V328-L441 HydrophobicContact CG2-CD1 3.56Å; V328-L441 HydrophobicContact CG2-CD2 3.79Å; V328-L441 HydrophobicContact CG2-CG 4.34Å; V328-F451 HydrophobicContact CG1-CZ 4.44Å
329	C	97.3	Very high	96.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.5	173.3	-74.8	0	0	0	0	109.5	C284 A314 F316 Y331	C284-C329 WeakPolarHBondContact CA-SG 3.38Å; C284-C329 HydrophobicContact CB-CB 3.78Å; C284-C329 WeakPolarHBondContact CB-SG 3.39Å; C284-C329 WeakPolarHBondContact SG-CB 3.35Å; C284-C329 CovalentContact SG-SG 2.05Å; C284-C329 PolarHBondContact SG-SG 3.39Å; A314-C329 PolarHBondContact N-O 2.82Å; A314-C329 PolarHBondContact O-N 3.26Å; F316-C329 HydrophobicContact CD2-CB 4.4Å; F316-C329 HydrophobicContact CE2-CB 3.99Å; C329-Y331 HydrophobicContact CB-CE2 3.96Å
330	A	95.8	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	148.3	171.9	0	0	0	0	0	110.5	V312 M313 S405 I406 W411	V312-A330 CarbonylContact O-C 3.48Å; V312-A330 VanDerWaalsContact O-CA 3.31Å; V312-A330 WeakPolarHBondContact O-CA 3.37Å; M313-A330 HydrophobicContact CG-CB 4.05Å; A330-S405 CarbonylContact O-C 3.43Å; A330-S405 VanDerWaalsContact O-CA 3.31Å; A330-S405 WeakPolarHBondContact O-CA 3.31Å; A330-I406 HydrophobicContact CB-CD1 4.02Å; A330-I406 HydrophobicContact CB-CG1 4.49Å; A330-I406 PolarHBondContact O-N 2.86Å; A330-W411 HydrophobicContact CB-CD2 4.19Å; A330-W411 HydrophobicContact CB-CE3 4.35Å; A330-W411 HydrophobicContact CB-CH2 3.35Å; A330-W411 HydrophobicContact CB-CZ2 3.22Å; A330-W411 HydrophobicContact CB-CZ3 3.99Å
331	Y	97.1	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.5	-179.4	-58.3	-87.6	0	0	0	109.3	L282 N283 C284 V311 V312 A314 F316 C329 V403 P404	L282-Y331 HydrophobicContact CB-CE1 4.23Å; L282-Y331 HydrophobicContact CD2-CD1 3.99Å; L282-Y331 HydrophobicContact CD2-CD2 4.34Å; L282-Y331 HydrophobicContact CD2-CE1 3.87Å; L282-Y331 HydrophobicContact CD2-CE2 4.24Å; L282-Y331 HydrophobicContact CD2-CG 4.22Å; N283-Y331 PolarHBondContact O-OH 2.77Å; C284-Y331 WeakPolarHBondContact CB-OH 3.27Å; V311-Y331 VanDerWaalsContact CA-O 3.27Å; V311-Y331 WeakPolarHBondContact CA-O 3.38Å; V312-Y331 HydrophobicContact CG2-CD2 4.46Å; V312-Y331 PolarHBondContact N-O 2.99Å; V312-Y331 PolarHBondContact O-N 2.75Å; A314-Y331 HydrophobicContact CB-CE2 4.16Å; F316-Y331 AromaticContact CE2-CE2 3.93Å; F316-Y331 HydrophobicContact CE2-CE2 3.93Å; F316-Y331 AromaticContact CZ-CE2 3.85Å; F316-Y331 HydrophobicContact CZ-CE2 3.85Å; F316-Y331 AromaticContact CZ-CZ 3.99Å; F316-Y331 VanDerWaalsContact CZ-OH 3.26Å; F316-Y331 WeakPolarHBondContact CZ-OH 3.08Å; C329-Y331 HydrophobicContact CB-CE2 3.96Å; Y331-V403 HydrophobicContact CD1-CB 4.42Å; Y331-V403 HydrophobicContact CD1-CG1 3.84Å; Y331-P404 WeakPolarHBondContact CD1-O 3.36Å
332	D	96.1	Very high	96.9	Very high	14 Å²	14	28.6 Å²	28.6	8%	0.075	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128.4	172.5	-168.9	-38.5	0	0	0	108.8	R309 A334 E335 V336 I406	R309-D332 IonicContact CZ-OD2 2.78Å; R309-D332 IonicContact NH1-OD2 2.81Å; R309-D332 PolarHBondContact NH1-OD2 2.75Å; D332-A334 PolarHBondContact O-N 2.88Å; D332-A334 WeakPolarHBondContact OD1-CB 3.33Å; D332-A334 PolarHBondContact OD1-N 2.96Å; D332-E335 HydrophobicContact CB-CB 4.26Å; D332-E335 HydrophobicContact CB-CG 4.15Å; D332-E335 WeakPolarHBondContact O-CB 3.27Å; D332-E335 PolarHBondContact O-N 3.03Å; D332-V336 WeakPolarHBondContact O-CG2 3.49Å; D332-V336 PolarHBondContact O-N 3.37Å; D332-I406 HydrophobicContact CB-CD1 4.25Å; D332-I406 HydrophobicContact CB-CG1 4.25Å
333	M	97.9	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-24.8	-178.9	-70.4	-55.5	-58.4	0	0	112.5	Y229 Y234 V303 D310 V312 V336 A337	Y229-M333 HydrophobicContact CD1-CB 4.05Å; Y229-M333 HydrophobicContact CD1-CE 3.85Å; Y229-M333 HydrophobicContact CD1-CG 4.43Å; Y229-M333 HydrophobicContact CE1-CB 3.63Å; Y229-M333 HydrophobicContact CE1-CG 4.37Å; Y229-M333 HydrophobicContact CE2-CB 4.44Å; Y229-M333 HydrophobicContact CG-CE 4.08Å; Y234-M333 HydrophobicContact CD1-CE 4.49Å; Y234-M333 HydrophobicContact CD2-CE 3.65Å; Y234-M333 HydrophobicContact CE2-CE 3.73Å; Y234-M333 HydrophobicContact CG-CE 4.05Å; V303-M333 HydrophobicContact CG1-CG 4.25Å; V303-M333 HydrophobicContact CG2-CG 4.26Å; V303-M333 HydrophobicContact CG2-SD 4.41Å; D310-M333 HydrophobicContact CB-CB 4.31Å; D310-M333 HydrophobicContact CB-CG 4.36Å; D310-M333 WeakPolarHBondContact O-CB 3.32Å; D310-M333 WeakPolarHBondContact O-CG 3.46Å; D310-M333 PolarHBondContact O-N 3.26Å; V312-M333 HydrophobicContact CG1-SD 3.86Å; V312-M333 HydrophobicContact CG2-SD 4.17Å; M333-V336 HydrophobicContact CE-CB 4.45Å; M333-V336 HydrophobicContact CE-CG1 4.31Å; M333-V336 HydrophobicContact SD-CG2 4.27Å; M333-A337 WeakPolarHBondContact O-CB 3.06Å; M333-A337 PolarHBondContact O-N 2.88Å
334	A	96.5	Very high	97.2	Very high	60 Å²	60	24.6 Å²	24.6	50%	0.496	14%	0.136	S	C	.	.	H	α-helix	trans	-66.8	-41.9	171.5	0	0	0	0	0	111.9	D332 A337 R338	D332-A334 PolarHBondContact O-N 2.88Å; D332-A334 WeakPolarHBondContact OD1-CB 3.33Å; D332-A334 PolarHBondContact OD1-N 2.96Å; A334-A337 PolarHBondContact O-N 2.86Å; A334-R338 WeakPolarHBondContact O-CB 3.34Å; A334-R338 PolarHBondContact O-N 3.49Å
335	E	96.6	Very high	97.2	Very high	64 Å²	64	25 Å²	25	30%	0.299	14%	0.135	S	C	.	.	H	α-helix	trans	-69.1	-37.4	175.9	-71.9	-62.5	131.7	0	0	111.8	D332 A337 R338 A339	D332-E335 HydrophobicContact CB-CB 4.26Å; D332-E335 HydrophobicContact CB-CG 4.15Å; D332-E335 WeakPolarHBondContact O-CB 3.27Å; D332-E335 PolarHBondContact O-N 3.03Å; E335-A337 VanDerWaalsContact C-N 3.34Å; E335-R338 PolarHBondContact O-N 2.94Å; E335-R338 IonicContact OE1-NE 3.82Å; E335-R338 PolarHBondContact OE1-NE 3.42Å; E335-R338 IonicContact OE2-CZ 2.76Å; E335-R338 IonicContact OE2-NE 2.9Å; E335-R338 PolarHBondContact OE2-NE 3.44Å; E335-R338 IonicContact OE2-NH2 3.89Å; E335-R338 PolarHBondContact OE2-NH2 3.19Å; E335-A339 PolarHBondContact O-N 2.81Å; E335-A339 VanDerWaalsContact O-N 3.07Å
336	V	98.3	Very high	97	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.1	-48.3	170.9	174.5	0	0	0	0	110.1	Y234 V255 D332 M333 R338 A339 F340 V403	Y234-V336 HydrophobicContact CD1-CG1 3.87Å; Y234-V336 HydrophobicContact CE1-CG1 3.74Å; V255-V336 HydrophobicContact CG1-CG1 4.25Å; V255-V336 HydrophobicContact CG2-CG1 4Å; D332-V336 WeakPolarHBondContact O-CG2 3.49Å; D332-V336 PolarHBondContact O-N 3.37Å; M333-V336 HydrophobicContact CE-CB 4.45Å; M333-V336 HydrophobicContact CE-CG1 4.31Å; M333-V336 HydrophobicContact SD-CG2 4.27Å; V336-R338 PolarHBondContact O-N 2.67Å; V336-A339 PolarHBondContact O-N 3.14Å; V336-F340 HydrophobicContact CG1-CE2 4.03Å; V336-F340 WeakPolarHBondContact O-CD2 3.17Å; V336-F340 WeakPolarHBondContact O-CE2 3.11Å; V336-V403 HydrophobicContact CB-CG1 4.43Å; V336-V403 HydrophobicContact CG2-CG1 3.8Å
337	A	97.4	Very high	96.7	Very high	31 Å²	31	28.1 Å²	28.1	26%	0.256	15%	0.148	S	C	.	.	H	α-helix	trans	-63.5	-40.4	178.5	0	0	0	0	0	112.2	M333 A334 E335 A339 F340	M333-A337 WeakPolarHBondContact O-CB 3.06Å; M333-A337 PolarHBondContact O-N 2.88Å; A334-A337 PolarHBondContact O-N 2.86Å; E335-A337 VanDerWaalsContact C-N 3.34Å; A337-A339 VanDerWaalsContact C-N 3.33Å; A337-A339 PolarHBondContact O-N 3.28Å; A337-F340 PolarHBondContact O-N 2.69Å
338	R	97.3	Very high	96	Very high	102 Å²	102	35.5 Å²	35.5	39%	0.385	18%	0.18	S	C	.	.	H	α-helix	trans	-60.9	-37.3	177.7	-169.8	-177.6	66.6	70.7	2.3	112.6	A334 E335 V336 F340 T341 G342 E401	A334-R338 WeakPolarHBondContact O-CB 3.34Å; A334-R338 PolarHBondContact O-N 3.49Å; E335-R338 PolarHBondContact O-N 2.94Å; E335-R338 IonicContact OE1-NE 3.82Å; E335-R338 PolarHBondContact OE1-NE 3.42Å; E335-R338 IonicContact OE2-CZ 2.76Å; E335-R338 IonicContact OE2-NE 2.9Å; E335-R338 PolarHBondContact OE2-NE 3.44Å; E335-R338 IonicContact OE2-NH2 3.89Å; E335-R338 PolarHBondContact OE2-NH2 3.19Å; V336-R338 PolarHBondContact O-N 2.67Å; R338-F340 PolarHBondContact O-N 3.45Å; R338-F340 VanDerWaalsContact O-N 3.12Å; R338-T341 PolarHBondContact O-N 2.65Å; R338-T341 PolarHBondContact O-OG1 2.66Å; R338-G342 PolarHBondContact O-N 3.43Å; R338-E401 IonicContact NH1-OE2 3.81Å; R338-E401 PolarHBondContact NH1-OE2 3.14Å
339	A	97.2	Very high	95.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-28.2	177.7	0	0	0	0	0	113.1	E335 V336 A337 V403	E335-A339 PolarHBondContact O-N 2.81Å; E335-A339 VanDerWaalsContact O-N 3.07Å; V336-A339 PolarHBondContact O-N 3.14Å; A337-A339 VanDerWaalsContact C-N 3.33Å; A337-A339 PolarHBondContact O-N 3.28Å; A339-V403 HydrophobicContact CB-CG2 3.74Å
340	F	97.9	Very high	94.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.2	177.9	-61.1	-74.6	0	0	0	114.3	Y234 V255 R257 L278 V336 A337 R338 R366 M399	Y234-F340 HydrophobicContact CD1-CE2 4.18Å; Y234-F340 HydrophobicContact CE1-CD2 4.26Å; Y234-F340 AromaticContact CE1-CE2 3.79Å; Y234-F340 HydrophobicContact CE1-CE2 3.79Å; V255-F340 HydrophobicContact CG1-CZ 4.23Å; R257-F340 HydrophobicContact CB-CE2 4.22Å; R257-F340 HydrophobicContact CB-CZ 4.2Å; R257-F340 HydrophobicContact CG-CD1 4.07Å; R257-F340 HydrophobicContact CG-CD2 4.19Å; R257-F340 HydrophobicContact CG-CE1 4.07Å; R257-F340 HydrophobicContact CG-CE2 4.2Å; R257-F340 HydrophobicContact CG-CG 4.13Å; R257-F340 HydrophobicContact CG-CZ 4.13Å; R257-F340 VanDerWaalsContact NH1-CB 3.29Å; L278-F340 HydrophobicContact CB-CD1 3.71Å; L278-F340 HydrophobicContact CB-CE1 3.94Å; L278-F340 HydrophobicContact CD1-CD1 4.48Å; L278-F340 WeakPolarHBondContact O-CE1 3.42Å; V336-F340 HydrophobicContact CG1-CE2 4.03Å; V336-F340 WeakPolarHBondContact O-CD2 3.17Å; V336-F340 WeakPolarHBondContact O-CE2 3.11Å; A337-F340 PolarHBondContact O-N 2.69Å; R338-F340 PolarHBondContact O-N 3.45Å; R338-F340 VanDerWaalsContact O-N 3.12Å; F340-R366 PolarHBondContact O-NH2 3.35Å; F340-M399 HydrophobicContact CD1-CG 3.75Å; F340-M399 HydrophobicContact CD1-SD 4.27Å; F340-M399 HydrophobicContact CE1-CG 4.23Å
341	T	95.7	Very high	94	Very high	88 Å²	88	50.5 Å²	50.5	54%	0.54	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-11.5	168.4	65.8	0	0	0	0	112.3	R338 R366	R338-T341 PolarHBondContact O-N 2.65Å; R338-T341 PolarHBondContact O-OG1 2.66Å; T341-R366 PolarHBondContact O-NH2 3.47Å; T341-R366 VanDerWaalsContact O-NH2 3.14Å
342	G	95.8	Very high	93.5	Very high	14 Å²	14	51.8 Å²	51.8	14%	0.144	28%	0.28	C	S	.	.	S	Bend	trans	-74	-174.3	175.4	0	0	0	0	0	114.4	R338 R366 M399	R338-G342 PolarHBondContact O-N 3.43Å; G342-R366 PolarHBondContact O-NH2 2.97Å; G342-M399 WeakPolarHBondContact O-CE 3.47Å
343	R	97.9	Very high	93.2	Very high	109 Å²	109	56.3 Å²	56.3	41%	0.411	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-70.2	149	-176.1	-62.4	178.8	-58.7	-177.1	6	112.3	P356 D400	R343-P356 HydrophobicContact CB-CB 4.44Å; R343-P356 VanDerWaalsContact NH2-CG 3.34Å; R343-D400 HydrophobicContact CB-CB 4.35Å; R343-D400 IonicContact CZ-OD2 3.35Å; R343-D400 IonicContact NE-OD2 3.19Å; R343-D400 IonicContact NH2-OD2 3.35Å; R343-D400 PolarHBondContact NH2-OD2 3.49Å; R343-D400 WeakPolarHBondContact O-CB 3.26Å; R343-D400 PolarHBondContact O-N 3.17Å
344	F	98.4	Very high	93	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-76.3	158.2	170.4	-59.9	-88.2	0	0	0	110.6	L278 F357 V362 P367 F392 H396 M399	L278-F344 HydrophobicContact CD1-CE1 3.96Å; L278-F344 HydrophobicContact CD2-CD1 4.22Å; L278-F344 HydrophobicContact CD2-CE1 3.68Å; L278-F344 HydrophobicContact CG-CE1 4.5Å; F344-F357 HydrophobicContact CB-CB 4.09Å; F344-F357 WeakPolarHBondContact O-CB 3.23Å; F344-F357 PolarHBondContact O-N 3.02Å; F344-V362 HydrophobicContact CD2-CG1 4.5Å; F344-V362 HydrophobicContact CD2-CG2 4Å; F344-V362 HydrophobicContact CE2-CG1 3.88Å; F344-V362 HydrophobicContact CE2-CG2 4.14Å; F344-P367 HydrophobicContact CE1-CB 4.47Å; F344-P367 HydrophobicContact CZ-CB 4.03Å; F344-P367 HydrophobicContact CZ-CG 4.47Å; F344-F392 HydrophobicContact CB-CE1 4.25Å; F344-F392 HydrophobicContact CB-CZ 4.17Å; F344-F392 AromaticContact CD1-CE1 3.92Å; F344-F392 HydrophobicContact CD1-CE1 3.92Å; F344-F392 AromaticContact CD2-CE1 3.56Å; F344-F392 HydrophobicContact CD2-CE1 3.56Å; F344-F392 AromaticContact CD2-CZ 3.76Å; F344-F392 HydrophobicContact CD2-CZ 3.76Å; F344-F392 HydrophobicContact CE1-CE1 4.13Å; F344-F392 AromaticContact CE2-CE1 3.8Å; F344-F392 HydrophobicContact CE2-CE1 3.8Å; F344-F392 HydrophobicContact CE2-CZ 4.33Å; F344-F392 AromaticContact CG-CE1 3.63Å; F344-F392 HydrophobicContact CG-CE1 3.63Å; F344-F392 AromaticContact CG-CZ 3.94Å; F344-F392 HydrophobicContact CG-CZ 3.94Å; F344-F392 HydrophobicContact CZ-CE1 4.08Å; F344-H396 HydrophobicContact CB-CB 4.29Å; F344-H396 HydrophobicContact CD1-CB 4.4Å; F344-M399 HydrophobicContact CD1-CE 4.02Å; F344-M399 HydrophobicContact CD1-SD 3.84Å; F344-M399 HydrophobicContact CE1-CE 4.06Å; F344-M399 HydrophobicContact CE1-SD 3.91Å; F344-M399 HydrophobicContact CG-CE 4.41Å; F344-M399 HydrophobicContact CZ-CE 4.48Å
345	K	96.6	Very high	92.9	Very high	37 Å²	37	57.4 Å²	57.4	16%	0.161	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.2	173.8	-146	174.7	-169.7	149.6	0	110.2	W354 L398 D400	K345-W354 HydrophobicContact CB-CE3 4.24Å; K345-W354 HydrophobicContact CD-CB 4.15Å; K345-W354 HydrophobicContact CD-CE3 4.13Å; K345-W354 HydrophobicContact CG-CB 4.21Å; K345-W354 HydrophobicContact CG-CE3 3.96Å; K345-L398 HydrophobicContact CB-CB 4.44Å; K345-L398 HydrophobicContact CB-CD2 4.3Å; K345-L398 HydrophobicContact CB-CG 4.13Å; K345-L398 WeakPolarHBondContact CB-O 3.5Å; K345-L398 HydrophobicContact CD-CD2 3.87Å; K345-L398 HydrophobicContact CD-CG 4.3Å; K345-L398 PolarHBondContact N-O 3.11Å; K345-D400 HydrophobicContact CB-CB 4.46Å; K345-D400 HydrophobicContact CG-CB 4.48Å
346	E	93.9	Very high	92.9	Very high	18 Å²	18	56.6 Å²	56.6	8%	0.084	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	156.1	175.9	70.6	166.9	-175.4	0	0	112.3	K348 W354 T355 F357	E346-K348 HydrophobicContact CG-CG 4.47Å; E346-K348 WeakPolarHBondContact OE1-CE 3.39Å; E346-K348 WeakPolarHBondContact OE1-CG 3.16Å; E346-W354 CarbonylContact O-C 3.59Å; E346-W354 VanDerWaalsContact O-CA 3.3Å; E346-W354 WeakPolarHBondContact O-CA 3.37Å; E346-T355 PolarHBondContact N-O 3.1Å; E346-T355 PolarHBondContact O-N 3.04Å; E346-F357 HydrophobicContact CB-CB 4.49Å; E346-F357 HydrophobicContact CB-CD2 4.07Å; E346-F357 HydrophobicContact CG-CB 4.39Å; E346-F357 HydrophobicContact CG-CD2 4.09Å; E346-F357 WeakPolarHBondContact OE2-CD2 3.17Å; E346-F357 WeakPolarHBondContact OE2-CE2 3.33Å
347	Q	90.4	Very high	92.9	Very high	53 Å²	53	57 Å²	57	25%	0.248	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	108.9	166.4	-156.9	-165.6	12.1	0	0	107.2	S349 P350 S352 W354	Q347-S349 VanDerWaalsContact CG-O 3.31Å; Q347-S349 WeakPolarHBondContact CG-O 3.31Å; Q347-S349 PolarHBondContact O-N 3.13Å; Q347-P350 PolarHBondContact NE2-O 2.94Å; Q347-S352 VanDerWaalsContact CG-O 3.3Å; Q347-S352 WeakPolarHBondContact CG-O 3.44Å; Q347-S352 PolarHBondContact NE2-O 3.34Å; Q347-W354 HydrophobicContact CB-CD2 3.97Å; Q347-W354 HydrophobicContact CB-CE3 4.23Å; Q347-W354 HydrophobicContact CB-CG 4.45Å; Q347-W354 HydrophobicContact CB-CH2 4.38Å; Q347-W354 HydrophobicContact CB-CZ2 4.09Å; Q347-W354 HydrophobicContact CB-CZ3 4.44Å; Q347-W354 HydrophobicContact CG-CD2 4.3Å; Q347-W354 HydrophobicContact CG-CG 4.37Å
348	K	84.9	Confident	92.8	Very high	154 Å²	154	57.7 Å²	57.7	67%	0.67	31%	0.308	S	S	*	.	S	Bend	trans	-65.1	-38.8	-170.8	-69.5	-176.5	-180	179.3	0	112.8	E346 S352	E346-K348 HydrophobicContact CG-CG 4.47Å; E346-K348 WeakPolarHBondContact OE1-CE 3.39Å; E346-K348 WeakPolarHBondContact OE1-CG 3.16Å; K348-S352 PolarHBondContact N-OG 2.77Å; K348-S352 VanDerWaalsContact N-OG 3.15Å
349	S	84.3	Confident	92.7	Very high	57 Å²	57	56.7 Å²	56.7	40%	0.399	31%	0.307	S	S	.	.	S	Bend	trans	-136.4	158.6	171.6	67.5	0	0	0	0	110	Q347 D351 S352	Q347-S349 VanDerWaalsContact CG-O 3.31Å; Q347-S349 WeakPolarHBondContact CG-O 3.31Å; Q347-S349 PolarHBondContact O-N 3.13Å; S349-D351 PolarHBondContact O-N 2.91Å; S349-S352 PolarHBondContact N-OG 2.88Å; S349-S352 PolarHBondContact O-N 3.16Å; S349-S352 PolarHBondContact O-OG 2.78Å; S349-S352 VanDerWaalsContact OG-CB 3.31Å; S349-S352 WeakPolarHBondContact OG-CB 3.37Å; S349-S352 PolarHBondContact OG-N 2.73Å; S349-S352 PolarHBondContact OG-OG 2.81Å
350	P	81.4	Confident	92.6	Very high	110 Å²	110	64.8 Å²	64.8	71%	0.714	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-28.6	-178.5	-28.9	36.5	0	0	0	115.1	Q347	Q347-P350 PolarHBondContact NE2-O 2.94Å
351	D	82.3	Confident	92.5	Very high	149 Å²	149	72.4 Å²	72.4	80%	0.797	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-7.7	-178.1	-53.9	-46.6	0	0	0	113.5	S349	S349-D351 PolarHBondContact O-N 2.91Å
352	S	87.6	Confident	92.5	Very high	27 Å²	27	68.9 Å²	68.9	19%	0.189	35%	0.352	C	S	.	.	S	Bend	trans	-76	154.3	179.7	65.2	0	0	0	0	112.6	Q347 K348 S349	Q347-S352 VanDerWaalsContact CG-O 3.3Å; Q347-S352 WeakPolarHBondContact CG-O 3.44Å; Q347-S352 PolarHBondContact NE2-O 3.34Å; K348-S352 PolarHBondContact N-OG 2.77Å; K348-S352 VanDerWaalsContact N-OG 3.15Å; S349-S352 PolarHBondContact N-OG 2.88Å; S349-S352 PolarHBondContact O-N 3.16Å; S349-S352 PolarHBondContact O-OG 2.78Å; S349-S352 VanDerWaalsContact OG-CB 3.31Å; S349-S352 WeakPolarHBondContact OG-CB 3.37Å; S349-S352 PolarHBondContact OG-N 2.73Å; S349-S352 PolarHBondContact OG-OG 2.81Å
353	T	89.2	Confident	92.6	Very high	109 Å²	109	69.1 Å²	69.1	67%	0.669	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-63.9	149.3	168.5	53.5	0	0	0	0	110.9	T355	T353-T355 PolarHBondContact O-N 3.05Å
354	W	93.5	Very high	92.4	Very high	44 Å²	44	72.5 Å²	72.5	17%	0.167	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.9	174.7	-70.1	69.7	0	0	0	110.6	M242 E243 K345 E346 Q347 L398	M242-W354 HydrophobicContact CB-CH2 4.33Å; M242-W354 HydrophobicContact CB-CZ2 3.8Å; M242-W354 HydrophobicContact CE-CH2 4.48Å; M242-W354 HydrophobicContact CE-CZ2 4.1Å; M242-W354 PolarHBondContact O-NE1 2.89Å; E243-W354 HydrophobicContact CB-CB 4.31Å; E243-W354 HydrophobicContact CB-CD2 4.06Å; E243-W354 HydrophobicContact CB-CG 3.86Å; K345-W354 HydrophobicContact CB-CE3 4.24Å; K345-W354 HydrophobicContact CD-CB 4.15Å; K345-W354 HydrophobicContact CD-CE3 4.13Å; K345-W354 HydrophobicContact CG-CB 4.21Å; K345-W354 HydrophobicContact CG-CE3 3.96Å; E346-W354 CarbonylContact O-C 3.59Å; E346-W354 VanDerWaalsContact O-CA 3.3Å; E346-W354 WeakPolarHBondContact O-CA 3.37Å; Q347-W354 HydrophobicContact CB-CD2 3.97Å; Q347-W354 HydrophobicContact CB-CE3 4.23Å; Q347-W354 HydrophobicContact CB-CG 4.45Å; Q347-W354 HydrophobicContact CB-CH2 4.38Å; Q347-W354 HydrophobicContact CB-CZ2 4.09Å; Q347-W354 HydrophobicContact CB-CZ3 4.44Å; Q347-W354 HydrophobicContact CG-CD2 4.3Å; Q347-W354 HydrophobicContact CG-CG 4.37Å; W354-L398 HydrophobicContact CE3-CD2 4.34Å; W354-L398 HydrophobicContact CZ3-CD2 4.14Å
355	T	95.1	Very high	92.2	Very high	39 Å²	39	73 Å²	73	24%	0.239	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155.9	-178.3	55.7	0	0	0	0	111.4	E346 T353 F357	E346-T355 PolarHBondContact N-O 3.1Å; E346-T355 PolarHBondContact O-N 3.04Å; T353-T355 PolarHBondContact O-N 3.05Å; T355-F357 PolarHBondContact O-N 2.78Å
356	P	97	Very high	92.1	Very high	46 Å²	46	73.7 Å²	73.7	30%	0.299	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	134.3	173.1	-12.5	25.2	0	0	0	110.6	R343 D400	R343-P356 HydrophobicContact CB-CB 4.44Å; R343-P356 VanDerWaalsContact NH2-CG 3.34Å; P356-D400 HydrophobicContact CB-CB 4.35Å; P356-D400 WeakPolarHBondContact CB-OD2 3.39Å; P356-D400 VanDerWaalsContact CG-OD2 3.29Å; P356-D400 WeakPolarHBondContact CG-OD2 3.3Å
357	F	96.6	Very high	92.3	Very high	10 Å²	10	72.9 Å²	72.9	4%	0.044	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-74.4	132.1	174.1	-168.8	-86.5	0	0	0	109.9	F344 E346 T355 E359 R361 V362 F392	F344-F357 HydrophobicContact CB-CB 4.09Å; F344-F357 WeakPolarHBondContact O-CB 3.23Å; F344-F357 PolarHBondContact O-N 3.02Å; E346-F357 HydrophobicContact CB-CB 4.49Å; E346-F357 HydrophobicContact CB-CD2 4.07Å; E346-F357 HydrophobicContact CG-CB 4.39Å; E346-F357 HydrophobicContact CG-CD2 4.09Å; E346-F357 WeakPolarHBondContact OE2-CD2 3.17Å; E346-F357 WeakPolarHBondContact OE2-CE2 3.33Å; T355-F357 PolarHBondContact O-N 2.78Å; F357-E359 PolarHBondContact O-N 2.86Å; F357-R361 HydrophobicContact CE1-CB 3.46Å; F357-R361 VanDerWaalsContact CE1-CB 3.46Å; F357-R361 HydrophobicContact CZ-CB 3.7Å; F357-V362 HydrophobicContact CD1-CG2 3.87Å; F357-V362 HydrophobicContact CE1-CG2 4.11Å; F357-F392 AromaticContact CD1-CE2 3.89Å; F357-F392 HydrophobicContact CD1-CE2 3.89Å; F357-F392 AromaticContact CD1-CZ 3.87Å; F357-F392 HydrophobicContact CD1-CZ 3.87Å; F357-F392 HydrophobicContact CD2-CE2 4.18Å; F357-F392 HydrophobicContact CD2-CZ 4.44Å; F357-F392 AromaticContact CE1-CE2 3.56Å; F357-F392 HydrophobicContact CE1-CE2 3.56Å; F357-F392 HydrophobicContact CE1-CZ 4.01Å; F357-F392 AromaticContact CE2-CE2 3.91Å; F357-F392 HydrophobicContact CE2-CE2 3.91Å; F357-F392 HydrophobicContact CG-CE2 4.21Å; F357-F392 HydrophobicContact CG-CZ 4.12Å; F357-F392 AromaticContact CZ-CE2 3.6Å; F357-F392 HydrophobicContact CZ-CE2 3.6Å; F357-F392 HydrophobicContact CZ-CZ 4.4Å
358	P	96	Very high	92.6	Very high	45 Å²	45	70.5 Å²	70.5	29%	0.292	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-61.8	128.4	178.9	-22.8	33.7	0	0	0	112.7	E360 R361	P358-E360 VanDerWaalsContact C-N 3.25Å; P358-E360 PolarHBondContact O-N 2.92Å; P358-R361 HydrophobicContact CB-CG 4.49Å; P358-R361 PolarHBondContact O-N 2.78Å; P358-R361 VanDerWaalsContact O-N 3.14Å
359	E	94.2	Very high	93	Very high	81 Å²	81	64.4 Å²	64.4	38%	0.379	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-64.5	-30.9	-173.9	-173.6	62.1	-155.5	0	0	111.9	F357 R361 V362 R366	F357-E359 PolarHBondContact O-N 2.86Å; E359-R361 PolarHBondContact O-N 3.02Å; E359-V362 WeakPolarHBondContact O-CB 3.29Å; E359-V362 PolarHBondContact O-N 2.8Å; E359-V362 VanDerWaalsContact O-N 3.14Å; E359-R366 IonicContact OE1-CZ 3.34Å; E359-R366 IonicContact OE1-NH1 2.94Å; E359-R366 PolarHBondContact OE1-NH1 3.46Å; E359-R366 IonicContact OE2-NH1 3.83Å; E359-R366 PolarHBondContact OE2-NH1 2.69Å
360	E	95	Very high	93.6	Very high	170 Å²	170	62 Å²	62	79%	0.794	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-66.3	-20.6	179.9	-52.8	74.9	-161	0	0	112.7	P358	P358-E360 VanDerWaalsContact C-N 3.25Å; P358-E360 PolarHBondContact O-N 2.92Å
361	R	95.9	Very high	94.2	Very high	160 Å²	160	56.9 Å²	56.9	60%	0.604	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-97.7	-2.4	-180	-68.3	175.6	62.4	-153.5	-4.2	112.8	F357 P358 E359	F357-R361 HydrophobicContact CE1-CB 3.46Å; F357-R361 VanDerWaalsContact CE1-CB 3.46Å; F357-R361 HydrophobicContact CZ-CB 3.7Å; P358-R361 HydrophobicContact CB-CG 4.49Å; P358-R361 PolarHBondContact O-N 2.78Å; P358-R361 VanDerWaalsContact O-N 3.14Å; E359-R361 PolarHBondContact O-N 3.02Å
362	V	97.2	Very high	94.5	Very high	14 Å²	14	52.2 Å²	52.2	9%	0.085	27%	0.273	C	S	.	.	S	Bend	trans	-69.8	128.1	178.1	175.9	0	0	0	0	108.3	F344 F357 E359 R366 P367 F392	F344-V362 HydrophobicContact CD2-CG1 4.5Å; F344-V362 HydrophobicContact CD2-CG2 4Å; F344-V362 HydrophobicContact CE2-CG1 3.88Å; F344-V362 HydrophobicContact CE2-CG2 4.14Å; F357-V362 HydrophobicContact CD1-CG2 3.87Å; F357-V362 HydrophobicContact CE1-CG2 4.11Å; E359-V362 WeakPolarHBondContact O-CB 3.29Å; E359-V362 PolarHBondContact O-N 2.8Å; E359-V362 VanDerWaalsContact O-N 3.14Å; V362-R366 HydrophobicContact CG1-CG 4.41Å; V362-P367 HydrophobicContact CG1-CG 4.29Å; V362-F392 HydrophobicContact CG2-CZ 4.35Å
363	P	96.8	Very high	94.3	Very high	19 Å²	19	52.1 Å²	52.1	12%	0.123	27%	0.272	C	S	.	.			trans	-66.3	162.3	-178	27.7	-34.9	0	0	0	111.9	P365 P367 D388 F392	P363-P365 CarbonylContact O-C 3.59Å; P363-P367 HydrophobicContact CG-CG 3.75Å; P363-D388 HydrophobicContact CB-CB 4.39Å; P363-F392 HydrophobicContact CG-CB 3.66Å; P363-F392 HydrophobicContact CG-CD1 4.47Å; P363-F392 HydrophobicContact CG-CD2 4.1Å; P363-F392 HydrophobicContact CG-CG 3.82Å
364	K	93.6	Very high	93.9	Very high	180 Å²	180	52.2 Å²	52.2	78%	0.783	27%	0.274	S	S	*	.	S	Bend	trans	-116	130.5	176.2	-67.5	-176.6	-178.4	179.2	0	109.4
365	P	94.2	Very high	93	Very high	12 Å²	12	55 Å²	55	8%	0.078	30%	0.3	C	S	.	.	S	Bend	cis	-69	157.5	3.4	28.3	-34.8	0	0	0	114.2	P363 P367 M376 Y379 F385 T389	P363-P365 CarbonylContact O-C 3.59Å; P365-P367 WeakPolarHBondContact O-CD 3.42Å; P365-M376 HydrophobicContact CB-CE 3.12Å; P365-M376 HydrophobicContact CB-SD 3.23Å; P365-M376 WeakPolarHBondContact CB-SD 3.23Å; P365-M376 HydrophobicContact CG-CE 3.48Å; P365-M376 VanDerWaalsContact CG-CE 3.48Å; P365-M376 HydrophobicContact CG-SD 4.26Å; P365-Y379 HydrophobicContact CB-CD2 4.43Å; P365-Y379 HydrophobicContact CB-CE2 4.12Å; P365-Y379 HydrophobicContact CG-CD2 4.04Å; P365-Y379 HydrophobicContact CG-CE2 3.65Å; P365-F385 HydrophobicContact CG-CD1 4.15Å; P365-F385 HydrophobicContact CG-CE1 4.45Å; P365-T389 HydrophobicContact CG-CG2 4.27Å; P365-T389 VanDerWaalsContact O-CG2 3.23Å; P365-T389 WeakPolarHBondContact O-CG2 3.3Å; P365-T389 PolarHBondContact O-OG1 2.87Å
366	R	96	Very high	92.3	Very high	51 Å²	51	53.6 Å²	53.6	19%	0.192	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-60.8	122.4	-176.6	-179.5	172.2	169	90.9	7.4	110.3	F340 T341 G342 E359 V362 G368 S369	F340-R366 PolarHBondContact O-NH2 3.35Å; T341-R366 PolarHBondContact O-NH2 3.47Å; T341-R366 VanDerWaalsContact O-NH2 3.14Å; G342-R366 PolarHBondContact O-NH2 2.97Å; E359-R366 IonicContact OE1-CZ 3.34Å; E359-R366 IonicContact OE1-NH1 2.94Å; E359-R366 PolarHBondContact OE1-NH1 3.46Å; E359-R366 IonicContact OE2-NH1 3.83Å; E359-R366 PolarHBondContact OE2-NH1 2.69Å; V362-R366 HydrophobicContact CG1-CG 4.41Å; R366-G368 PolarHBondContact O-N 2.84Å; R366-S369 VanDerWaalsContact O-CB 3.31Å; R366-S369 WeakPolarHBondContact O-CB 3.49Å; R366-S369 PolarHBondContact O-N 3.46Å; R366-S369 PolarHBondContact O-OG 2.88Å
367	P	97.6	Very high	91.4	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	133.5	178.8	-27.1	34.1	0	0	0	112.8	F344 V362 P363 P365 T389 F392 I393	F344-P367 HydrophobicContact CE1-CB 4.47Å; F344-P367 HydrophobicContact CZ-CB 4.03Å; F344-P367 HydrophobicContact CZ-CG 4.47Å; V362-P367 HydrophobicContact CG1-CG 4.29Å; P363-P367 HydrophobicContact CG-CG 3.75Å; P365-P367 WeakPolarHBondContact O-CD 3.42Å; P367-T389 HydrophobicContact CB-CG2 4.39Å; P367-T389 HydrophobicContact CG-CG2 4.1Å; P367-F392 HydrophobicContact CB-CD1 3.85Å; P367-F392 HydrophobicContact CB-CE1 4.41Å; P367-F392 HydrophobicContact CG-CB 4.22Å; P367-F392 HydrophobicContact CG-CD1 3.39Å; P367-F392 HydrophobicContact CG-CE1 4.01Å; P367-F392 HydrophobicContact CG-CG 4.02Å; P367-I393 HydrophobicContact CB-CB 4.02Å; P367-I393 HydrophobicContact CB-CD1 4.34Å
368	G	95.7	Very high	91.1	Very high	3 Å²	3	67.8 Å²	67.8	3%	0.031	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	1.9	-178.6	0	0	0	0	0	115.7	R257 R366	R257-G368 PolarHBondContact NH2-O 2.81Å; R366-G368 PolarHBondContact O-N 2.84Å
369	S	94.6	Very high	90.9	Very high	26 Å²	26	67.3 Å²	67.3	18%	0.182	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-81.3	141.8	172.7	-51.4	0	0	0	0	111	R366	R366-S369 VanDerWaalsContact O-CB 3.31Å; R366-S369 WeakPolarHBondContact O-CB 3.49Å; R366-S369 PolarHBondContact O-N 3.46Å; R366-S369 PolarHBondContact O-OG 2.88Å
370	C	96	Very high	90.7	Very high	6 Å²	6	71.5 Å²	71.5	4%	0.041	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-77.5	135.9	179.3	-51.4	0	0	0	0	111.3	F232 C259 T373 M376	F232-C370 WeakPolarHBondContact CE1-SG 3.48Å; F232-C370 WeakPolarHBondContact CZ-SG 3.43Å; C259-C370 HydrophobicContact CB-CB 3.87Å; C259-C370 WeakPolarHBondContact CB-SG 3.08Å; C259-C370 WeakPolarHBondContact SG-CA 3.4Å; C259-C370 WeakPolarHBondContact SG-CB 3.15Å; C259-C370 CovalentContact SG-SG 2.04Å; C259-C370 PolarHBondContact SG-SG 3.27Å; C370-T373 HydrophobicContact CB-CG2 3.92Å; C370-T373 WeakPolarHBondContact O-CG2 3.33Å; C370-T373 PolarHBondContact O-OG1 2.98Å; C370-M376 WeakPolarHBondContact O-CB 3.49Å; C370-M376 WeakPolarHBondContact O-CG 3.4Å
371	A	94.8	Very high	90.7	Very high	3 Å²	3	65.8 Å²	65.8	3%	0.025	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	150.4	173.3	0	0	0	0	0	110.7	N261 T373 F385	N261-A371 PolarHBondContact ND2-O 3.12Å; A371-T373 PolarHBondContact O-N 3.41Å; A371-F385 HydrophobicContact CB-CE1 4.12Å; A371-F385 HydrophobicContact CB-CZ 3.88Å
372	G	87.4	Confident	90.7	Very high	50 Å²	50	58.3 Å²	58.3	52%	0.515	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	5.4	178.3	0	0	0	0	0	116	Y379	G372-Y379 PolarHBondContact N-O 3.18Å
373	T	84.6	Confident	90.6	Very high	26 Å²	26	60.9 Å²	60.9	16%	0.16	32%	0.316	C	S	.	.	S	Bend	trans	-74.6	160.2	168	55.4	0	0	0	0	110.5	C370 A371 S375 M376 E377	C370-T373 HydrophobicContact CB-CG2 3.92Å; C370-T373 WeakPolarHBondContact O-CG2 3.33Å; C370-T373 PolarHBondContact O-OG1 2.98Å; A371-T373 PolarHBondContact O-N 3.41Å; T373-S375 PolarHBondContact O-N 3.13Å; T373-S375 VanDerWaalsContact O-N 3.15Å; T373-S375 PolarHBondContact OG1-OG 2.76Å; T373-M376 CarbonylContact O-C 3.57Å; T373-M376 VanDerWaalsContact O-CA 3.31Å; T373-M376 WeakPolarHBondContact O-CA 2.71Å; T373-M376 PolarHBondContact O-N 3.31Å; T373-M376 VanDerWaalsContact OG1-CB 3.31Å; T373-M376 WeakPolarHBondContact OG1-CB 3.01Å; T373-M376 VanDerWaalsContact OG1-CG 3.29Å; T373-M376 WeakPolarHBondContact OG1-CG 3.33Å; T373-E377 PolarHBondContact O-N 3.48Å
374	P	80.7	Confident	90.6	Very high	111 Å²	111	65 Å²	65	72%	0.721	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-54.3	-35.2	179.2	-28.7	36.1	0	0	0	113.9	M376	P374-M376 PolarHBondContact O-N 2.84Å
375	S	74.3	Confident	90.7	Very high	102 Å²	102	56.9 Å²	56.9	71%	0.713	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-72.5	-10.7	174.2	48	0	0	0	0	114.5	T373	T373-S375 PolarHBondContact O-N 3.13Å; T373-S375 VanDerWaalsContact O-N 3.15Å; T373-S375 PolarHBondContact OG1-OG 2.76Å
376	M	80	Confident	90.9	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.049	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-133.3	20.6	-169.5	-62.9	-67.1	-70.1	0	0	112.7	P365 C370 T373 P374 R378 Y379 F385	P365-M376 HydrophobicContact CB-CE 3.12Å; P365-M376 HydrophobicContact CB-SD 3.23Å; P365-M376 WeakPolarHBondContact CB-SD 3.23Å; P365-M376 HydrophobicContact CG-CE 3.48Å; P365-M376 VanDerWaalsContact CG-CE 3.48Å; P365-M376 HydrophobicContact CG-SD 4.26Å; C370-M376 WeakPolarHBondContact O-CB 3.49Å; C370-M376 WeakPolarHBondContact O-CG 3.4Å; T373-M376 CarbonylContact O-C 3.57Å; T373-M376 VanDerWaalsContact O-CA 3.31Å; T373-M376 WeakPolarHBondContact O-CA 2.71Å; T373-M376 PolarHBondContact O-N 3.31Å; T373-M376 VanDerWaalsContact OG1-CB 3.31Å; T373-M376 WeakPolarHBondContact OG1-CB 3.01Å; T373-M376 VanDerWaalsContact OG1-CG 3.29Å; T373-M376 WeakPolarHBondContact OG1-CG 3.33Å; P374-M376 PolarHBondContact O-N 2.84Å; M376-R378 PolarHBondContact O-N 3.39Å; M376-Y379 HydrophobicContact CE-CD2 3.89Å; M376-Y379 PolarHBondContact O-N 2.84Å; M376-Y379 VanDerWaalsContact O-O 3.07Å; M376-F385 HydrophobicContact CE-CD1 4.15Å; M376-F385 HydrophobicContact CE-CE1 3.29Å; M376-F385 HydrophobicContact CE-CZ 3.76Å
377	E	78.6	Confident	90.9	Very high	143 Å²	143	57.6 Å²	57.6	67%	0.668	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.9	-174.6	-71.9	178	-177.8	0	0	113.4	T373 Y379	T373-E377 PolarHBondContact O-N 3.48Å; E377-Y379 PolarHBondContact O-N 3.34Å
378	R	89.8	Confident	90.9	Very high	210 Å²	210	61.7 Å²	61.7	79%	0.792	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.2	175.3	-175	176.9	-177.8	-175.6	1.7	113.1	M376	M376-R378 PolarHBondContact O-N 3.39Å
379	Y	91.3	Very high	91	Very high	35 Å²	35	61.8 Å²	61.8	14%	0.137	33%	0.329	C	S	.	.			trans	-110.8	109	-176.3	-58.8	-78.8	0	0	0	109.2	P365 G372 M376 E377 E384 F385 P386	P365-Y379 HydrophobicContact CB-CD2 4.43Å; P365-Y379 HydrophobicContact CB-CE2 4.12Å; P365-Y379 HydrophobicContact CG-CD2 4.04Å; P365-Y379 HydrophobicContact CG-CE2 3.65Å; G372-Y379 PolarHBondContact N-O 3.18Å; M376-Y379 HydrophobicContact CE-CD2 3.89Å; M376-Y379 PolarHBondContact O-N 2.84Å; M376-Y379 VanDerWaalsContact O-O 3.07Å; E377-Y379 PolarHBondContact O-N 3.34Å; Y379-E384 HydrophobicContact CD1-CB 4.08Å; Y379-E384 WeakPolarHBondContact CD1-O 3.33Å; Y379-E384 WeakPolarHBondContact CE1-O 3.03Å; Y379-F385 HydrophobicContact CD1-CD1 4.08Å; Y379-F385 HydrophobicContact CD2-CD1 4.41Å; Y379-F385 HydrophobicContact CD2-CE1 4.41Å; Y379-F385 AromaticContact CG-CD1 3.9Å; Y379-F385 HydrophobicContact CG-CD1 3.9Å; Y379-F385 HydrophobicContact CG-CE1 4.03Å; Y379-P386 HydrophobicContact CE1-CG 4.23Å; Y379-P386 WeakPolarHBondContact OH-CG 3.31Å
380	K	91.3	Very high	91.2	Very high	170 Å²	170	60.6 Å²	60.6	74%	0.739	32%	0.321	S	S	*	.	S	Bend	trans	-79.3	-31.8	-177.7	-67.7	-176	179.8	-179.7	0	111.8	E384	K380-E384 PolarHBondContact N-OE2 3.45Å; K380-E384 VanDerWaalsContact N-OE2 3.1Å
381	V	94.4	Very high	91.3	Very high	50 Å²	50	63.7 Å²	63.7	30%	0.303	34%	0.337	S	S	.	.	S	Bend	trans	-136.9	153	179.1	-65.1	0	0	0	0	110.9	R263 N383 E384	R263-V381 HydrophobicContact CG-CB 4.41Å; R263-V381 HydrophobicContact CG-CG1 4.38Å; V381-N383 HydrophobicContact CG2-CB 4.4Å; V381-N383 PolarHBondContact O-N 3.22Å; V381-E384 HydrophobicContact CG2-CG 3.85Å; V381-E384 PolarHBondContact O-N 2.84Å
382	S	95.9	Very high	91.5	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.014	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-66.2	-20.1	-177.1	58.5	0	0	0	0	114.4	D262 R263 G264 T275 E384 F385	D262-S382 PolarHBondContact OD1-OG 2.93Å; R263-S382 WeakPolarHBondContact CA-OG 3.47Å; R263-S382 PolarHBondContact N-OG 3.3Å; G264-S382 PolarHBondContact N-OG 2.88Å; G264-S382 CarbonylContact O-C 3.48Å; G264-S382 VanDerWaalsContact O-C 3.31Å; G264-S382 WeakPolarHBondContact O-CB 3.28Å; G264-S382 PolarHBondContact O-OG 3.47Å; T275-S382 VanDerWaalsContact OG1-CB 3.23Å; T275-S382 WeakPolarHBondContact OG1-CB 3.21Å; S382-E384 PolarHBondContact O-N 3.12Å; S382-F385 WeakPolarHBondContact O-CB 3.4Å; S382-F385 WeakPolarHBondContact O-CD2 3.22Å; S382-F385 WeakPolarHBondContact O-CG 3.2Å; S382-F385 PolarHBondContact O-N 3.03Å; S382-F385 VanDerWaalsContact O-N 3.11Å
383	N	95.7	Very high	92	Very high	68 Å²	68	62.1 Å²	62.1	36%	0.364	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-65.8	-20	177.1	-53.2	93.7	0	0	0	112.7	R263 G264 G265 V381 F385	R263-N383 WeakPolarHBondContact CB-OD1 3.36Å; R263-N383 PolarHBondContact O-ND2 2.93Å; G264-N383 PolarHBondContact O-N 3.25Å; G264-N383 PolarHBondContact O-ND2 3.4Å; G265-N383 PolarHBondContact O-ND2 3.27Å; V381-N383 HydrophobicContact CG2-CB 4.4Å; V381-N383 PolarHBondContact O-N 3.22Å; N383-F385 VanDerWaalsContact C-N 3.33Å
384	E	95.9	Very high	92.7	Very high	105 Å²	105	64.1 Å²	64.1	49%	0.491	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-86.7	-3.1	177.4	-63.4	171.6	165.5	0	0	112.7	Y379 K380 V381 S382	Y379-E384 HydrophobicContact CD1-CB 4.08Å; Y379-E384 WeakPolarHBondContact CD1-O 3.33Å; Y379-E384 WeakPolarHBondContact CE1-O 3.03Å; K380-E384 PolarHBondContact N-OE2 3.45Å; K380-E384 VanDerWaalsContact N-OE2 3.1Å; V381-E384 HydrophobicContact CG2-CG 3.85Å; V381-E384 PolarHBondContact O-N 2.84Å; S382-E384 PolarHBondContact O-N 3.12Å
385	F	96.8	Very high	93.4	Very high	11 Å²	11	63.2 Å²	63.2	5%	0.048	31%	0.309	C	S	.	.	S	Bend	trans	-63.2	140	178.7	-69.9	-24.4	0	0	0	111.3	P365 A371 M376 Y379 S382 N383 L390	P365-F385 HydrophobicContact CG-CD1 4.15Å; P365-F385 HydrophobicContact CG-CE1 4.45Å; A371-F385 HydrophobicContact CB-CE1 4.12Å; A371-F385 HydrophobicContact CB-CZ 3.88Å; M376-F385 HydrophobicContact CE-CD1 4.15Å; M376-F385 HydrophobicContact CE-CE1 3.29Å; M376-F385 HydrophobicContact CE-CZ 3.76Å; Y379-F385 HydrophobicContact CD1-CD1 4.08Å; Y379-F385 HydrophobicContact CD2-CD1 4.41Å; Y379-F385 HydrophobicContact CD2-CE1 4.41Å; Y379-F385 AromaticContact CG-CD1 3.9Å; Y379-F385 HydrophobicContact CG-CD1 3.9Å; Y379-F385 HydrophobicContact CG-CE1 4.03Å; S382-F385 WeakPolarHBondContact O-CB 3.4Å; S382-F385 WeakPolarHBondContact O-CD2 3.22Å; S382-F385 WeakPolarHBondContact O-CG 3.2Å; S382-F385 PolarHBondContact O-N 3.03Å; S382-F385 VanDerWaalsContact O-N 3.11Å; N383-F385 VanDerWaalsContact C-N 3.33Å; F385-L390 HydrophobicContact CB-CD1 4.29Å; F385-L390 HydrophobicContact CB-CD2 3.88Å; F385-L390 HydrophobicContact CB-CG 3.96Å; F385-L390 HydrophobicContact CD2-CD2 4.11Å
386	P	97	Very high	94.5	Very high	38 Å²	38	59.9 Å²	59.9	25%	0.247	28%	0.282	C	S	.	.			trans	-69.2	153	-179.8	-8.5	24.1	0	0	0	111.4	Y379 D388 T389 L390	Y379-P386 HydrophobicContact CE1-CG 4.23Å; Y379-P386 WeakPolarHBondContact OH-CG 3.31Å; P386-D388 WeakPolarHBondContact CB-OD1 3.37Å; P386-D388 PolarHBondContact O-N 2.76Å; P386-T389 PolarHBondContact O-N 3.43Å; P386-L390 PolarHBondContact O-N 2.93Å
387	D	97.7	Very high	95.4	Very high	39 Å²	39	59.6 Å²	59.6	21%	0.209	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-28.1	-173.1	-70.2	4.7	0	0	0	113	S266 R268 V269 N391	S266-D387 PolarHBondContact OG-OD1 3.44Å; R268-D387 WeakPolarHBondContact CD-OD2 3.45Å; R268-D387 IonicContact CZ-OD1 3.14Å; R268-D387 IonicContact CZ-OD2 3.85Å; R268-D387 IonicContact NE-OD1 2.87Å; R268-D387 PolarHBondContact NE-OD1 2.75Å; R268-D387 VanDerWaalsContact NE-OD1 3.14Å; R268-D387 IonicContact NE-OD2 2.85Å; R268-D387 PolarHBondContact NE-OD2 3.28Å; R268-D387 IonicContact NH1-OD2 3.37Å; R268-D387 VanDerWaalsContact NH2-CG 3.28Å; R268-D387 IonicContact NH2-OD1 3.4Å; R268-D387 PolarHBondContact NH2-OD1 3.15Å; R268-D387 IonicContact NH2-OD2 2.77Å; R268-D387 PolarHBondContact NH2-OD2 3.32Å; V269-D387 HydrophobicContact CG2-CB 4.15Å; D387-N391 VanDerWaalsContact O-CB 3.23Å; D387-N391 WeakPolarHBondContact O-CB 3.49Å; D387-N391 VanDerWaalsContact O-CG 3.32Å; D387-N391 PolarHBondContact O-N 3.18Å; D387-N391 PolarHBondContact O-ND2 2.88Å
388	D	97.5	Very high	96.4	Very high	87 Å²	87	53.2 Å²	53.2	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-63.8	-43.8	177.3	64.8	-14.6	0	0	0	111.8	P363 P386 F392	P363-D388 HydrophobicContact CB-CB 4.39Å; P386-D388 WeakPolarHBondContact CB-OD1 3.37Å; P386-D388 PolarHBondContact O-N 2.76Å; D388-F392 WeakPolarHBondContact O-CB 3.43Å; D388-F392 PolarHBondContact O-N 3.2Å
389	T	97.5	Very high	96.8	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-45.2	177.8	-59.4	0	0	0	0	110.4	P365 P367 P386 F392 I393	P365-T389 HydrophobicContact CG-CG2 4.27Å; P365-T389 VanDerWaalsContact O-CG2 3.23Å; P365-T389 WeakPolarHBondContact O-CG2 3.3Å; P365-T389 PolarHBondContact O-OG1 2.87Å; P367-T389 HydrophobicContact CB-CG2 4.39Å; P367-T389 HydrophobicContact CG-CG2 4.1Å; P386-T389 PolarHBondContact O-N 3.43Å; T389-F392 PolarHBondContact O-N 2.04Å; T389-I393 PolarHBondContact O-N 3.41Å
390	L	98.4	Very high	97.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-43	179.4	-65.1	178.5	0	0	0	112.1	V269 L270 T275 F385 P386 F392 I393 K394	V269-L390 HydrophobicContact CB-CB 3.81Å; V269-L390 HydrophobicContact CB-CD1 4.17Å; V269-L390 HydrophobicContact CG1-CB 3.55Å; L270-L390 HydrophobicContact CD1-CB 4.36Å; L270-L390 HydrophobicContact CD1-CD2 4.34Å; L270-L390 WeakPolarHBondContact CD1-O 3.23Å; T275-L390 HydrophobicContact CG2-CD2 3.58Å; F385-L390 HydrophobicContact CB-CD1 4.29Å; F385-L390 HydrophobicContact CB-CD2 3.88Å; F385-L390 HydrophobicContact CB-CG 3.96Å; F385-L390 HydrophobicContact CD2-CD2 4.11Å; P386-L390 PolarHBondContact O-N 2.93Å; L390-F392 VanDerWaalsContact C-N 3.31Å; L390-F392 PolarHBondContact O-N 2.69Å; L390-I393 WeakPolarHBondContact O-CG2 3.42Å; L390-K394 VanDerWaalsContact O-CB 3.31Å; L390-K394 WeakPolarHBondContact O-CB 3.44Å; L390-K394 PolarHBondContact O-N 2.63Å; L390-K394 VanDerWaalsContact O-N 3.11Å
391	N	98.3	Very high	97.3	Very high	71 Å²	71	38.7 Å²	38.7	38%	0.38	20%	0.198	S	C	.	.	H	α-helix	trans	-66.1	-36.9	175.2	-79.2	-53	0	0	0	111.2	V269 D387 K394 M395	V269-N391 WeakPolarHBondContact CG1-OD1 3.48Å; D387-N391 VanDerWaalsContact O-CB 3.23Å; D387-N391 WeakPolarHBondContact O-CB 3.49Å; D387-N391 VanDerWaalsContact O-CG 3.32Å; D387-N391 PolarHBondContact O-N 3.18Å; D387-N391 PolarHBondContact O-ND2 2.88Å; N391-K394 PolarHBondContact O-N 3.24Å; N391-M395 WeakPolarHBondContact O-CG 2.83Å; N391-M395 PolarHBondContact O-N 3.02Å
392	F	98.4	Very high	97.5	Very high	19 Å²	19	37.9 Å²	37.9	8%	0.083	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-53.7	177.4	-175.1	-81	0	0	0	111.8	F344 F357 V362 P363 P367 D388 T389 L390 K394 M395 H396	F344-F392 HydrophobicContact CB-CE1 4.25Å; F344-F392 HydrophobicContact CB-CZ 4.17Å; F344-F392 AromaticContact CD1-CE1 3.92Å; F344-F392 HydrophobicContact CD1-CE1 3.92Å; F344-F392 AromaticContact CD2-CE1 3.56Å; F344-F392 HydrophobicContact CD2-CE1 3.56Å; F344-F392 AromaticContact CD2-CZ 3.76Å; F344-F392 HydrophobicContact CD2-CZ 3.76Å; F344-F392 HydrophobicContact CE1-CE1 4.13Å; F344-F392 AromaticContact CE2-CE1 3.8Å; F344-F392 HydrophobicContact CE2-CE1 3.8Å; F344-F392 HydrophobicContact CE2-CZ 4.33Å; F344-F392 AromaticContact CG-CE1 3.63Å; F344-F392 HydrophobicContact CG-CE1 3.63Å; F344-F392 AromaticContact CG-CZ 3.94Å; F344-F392 HydrophobicContact CG-CZ 3.94Å; F344-F392 HydrophobicContact CZ-CE1 4.08Å; F357-F392 AromaticContact CD1-CE2 3.89Å; F357-F392 HydrophobicContact CD1-CE2 3.89Å; F357-F392 AromaticContact CD1-CZ 3.87Å; F357-F392 HydrophobicContact CD1-CZ 3.87Å; F357-F392 HydrophobicContact CD2-CE2 4.18Å; F357-F392 HydrophobicContact CD2-CZ 4.44Å; F357-F392 AromaticContact CE1-CE2 3.56Å; F357-F392 HydrophobicContact CE1-CE2 3.56Å; F357-F392 HydrophobicContact CE1-CZ 4.01Å; F357-F392 AromaticContact CE2-CE2 3.91Å; F357-F392 HydrophobicContact CE2-CE2 3.91Å; F357-F392 HydrophobicContact CG-CE2 4.21Å; F357-F392 HydrophobicContact CG-CZ 4.12Å; F357-F392 AromaticContact CZ-CE2 3.6Å; F357-F392 HydrophobicContact CZ-CE2 3.6Å; F357-F392 HydrophobicContact CZ-CZ 4.4Å; V362-F392 HydrophobicContact CG2-CZ 4.35Å; P363-F392 HydrophobicContact CG-CB 3.66Å; P363-F392 HydrophobicContact CG-CD1 4.47Å; P363-F392 HydrophobicContact CG-CD2 4.1Å; P363-F392 HydrophobicContact CG-CG 3.82Å; P367-F392 HydrophobicContact CB-CD1 3.85Å; P367-F392 HydrophobicContact CB-CE1 4.41Å; P367-F392 HydrophobicContact CG-CB 4.22Å; P367-F392 HydrophobicContact CG-CD1 3.39Å; P367-F392 HydrophobicContact CG-CE1 4.01Å; P367-F392 HydrophobicContact CG-CG 4.02Å; D388-F392 WeakPolarHBondContact O-CB 3.43Å; D388-F392 PolarHBondContact O-N 3.2Å; T389-F392 PolarHBondContact O-N 2.04Å; L390-F392 VanDerWaalsContact C-N 3.31Å; L390-F392 PolarHBondContact O-N 2.69Å; F392-K394 VanDerWaalsContact C-N 3.26Å; F392-K394 PolarHBondContact O-N 2.87Å; F392-M395 PolarHBondContact O-N 2.96Å; F392-H396 HydrophobicContact CD1-CB 4.24Å; F392-H396 AromaticContact CD2-ND1 3.74Å; F392-H396 HydrophobicContact CE1-CB 3.86Å; F392-H396 AromaticContact CE2-CE1 3.96Å; F392-H396 AromaticContact CE2-ND1 3.75Å; F392-H396 AromaticContact CG-ND1 3.88Å; F392-H396 HydrophobicContact CZ-CB 4.19Å; F392-H396 AromaticContact CZ-CG 3.98Å; F392-H396 AromaticContact CZ-ND1 3.92Å; F392-H396 WeakPolarHBondContact O-CB 3.32Å; F392-H396 PolarHBondContact O-N 2.9Å; F392-H396 PolarHBondContact O-ND1 3.17Å
393	I	98.3	Very high	97.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-35	-179.7	-169.2	148.7	0	0	0	112.1	L270 T275 L278 P367 T389 L390 M395 H396	L270-I393 HydrophobicContact CD1-CG2 3.73Å; T275-I393 WeakPolarHBondContact O-CD1 3.22Å; L278-I393 HydrophobicContact CD2-CD1 3.76Å; L278-I393 HydrophobicContact CD2-CG1 3.9Å; L278-I393 HydrophobicContact CG-CD1 3.93Å; P367-I393 HydrophobicContact CB-CB 4.02Å; P367-I393 HydrophobicContact CB-CD1 4.34Å; T389-I393 PolarHBondContact O-N 3.41Å; L390-I393 WeakPolarHBondContact O-CG2 3.42Å; I393-M395 PolarHBondContact O-N 3.37Å; I393-H396 CarbonylContact O-C 3.52Å; I393-H396 PolarHBondContact O-N 3.3Å
394	K	98.1	Very high	97.7	Very high	69 Å²	69	35.5 Å²	35.5	30%	0.3	19%	0.185	S	C	.	.	H	α-helix	trans	-57	-39.2	174.4	-176.4	179.1	176.1	-174.3	0	111.9	W217 L270 L390 N391 F392	W217-K394 PolarHBondContact NE1-O 2.94Å; L270-K394 HydrophobicContact CD1-CB 4.16Å; L270-K394 HydrophobicContact CD2-CB 4.08Å; L270-K394 HydrophobicContact CD2-CD 4.1Å; L270-K394 HydrophobicContact CD2-CG 3.99Å; L270-K394 HydrophobicContact CG-CB 4.27Å; L270-K394 HydrophobicContact CG-CD 4.47Å; L390-K394 VanDerWaalsContact O-CB 3.31Å; L390-K394 WeakPolarHBondContact O-CB 3.44Å; L390-K394 PolarHBondContact O-N 2.63Å; L390-K394 VanDerWaalsContact O-N 3.11Å; N391-K394 PolarHBondContact O-N 3.24Å; F392-K394 VanDerWaalsContact C-N 3.26Å; F392-K394 PolarHBondContact O-N 2.87Å
395	M	96.8	Very high	97.7	Very high	92 Å²	92	30.8 Å²	30.8	45%	0.453	16%	0.163	S	C	.	.	H	α-helix	trans	-91	-20.4	-176.5	-64.8	-59.2	-74.7	0	0	114.1	N391 F392 I393 P397	N391-M395 WeakPolarHBondContact O-CG 2.83Å; N391-M395 PolarHBondContact O-N 3.02Å; F392-M395 PolarHBondContact O-N 2.96Å; I393-M395 PolarHBondContact O-N 3.37Å; M395-P397 VanDerWaalsContact C-CD 3.42Å
396	H	97.7	Very high	97.4	Very high	32 Å²	32	31.4 Å²	31.4	15%	0.148	17%	0.167	C	C	.	.			trans	-127.9	60	-174.8	-52.8	89.5	0	0	0	113	F344 F392 I393 L398	F344-H396 HydrophobicContact CB-CB 4.29Å; F344-H396 HydrophobicContact CD1-CB 4.4Å; F392-H396 HydrophobicContact CD1-CB 4.24Å; F392-H396 AromaticContact CD2-ND1 3.74Å; F392-H396 HydrophobicContact CE1-CB 3.86Å; F392-H396 AromaticContact CE2-CE1 3.96Å; F392-H396 AromaticContact CE2-ND1 3.75Å; F392-H396 AromaticContact CG-ND1 3.88Å; F392-H396 HydrophobicContact CZ-CB 4.19Å; F392-H396 AromaticContact CZ-CG 3.98Å; F392-H396 AromaticContact CZ-ND1 3.92Å; F392-H396 WeakPolarHBondContact O-CB 3.32Å; F392-H396 PolarHBondContact O-N 2.9Å; F392-H396 PolarHBondContact O-ND1 3.17Å; I393-H396 CarbonylContact O-C 3.52Å; I393-H396 PolarHBondContact O-N 3.3Å; H396-L398 PolarHBondContact O-N 3.07Å
397	P	98.1	Very high	97	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.019	17%	0.173	C	C	.	.			trans	-73.5	-12.4	178.3	30.9	-36.8	0	0	0	113.6	K216 W217 F277 L278 K279 M395	K216-P397 HydrophobicContact CB-CG 3.97Å; K216-P397 VanDerWaalsContact O-CG 3.23Å; K216-P397 WeakPolarHBondContact O-CG 3.5Å; W217-P397 HydrophobicContact CG-CG 4.48Å; F277-P397 HydrophobicContact CD1-CB 3.99Å; F277-P397 HydrophobicContact CE1-CB 4.04Å; L278-P397 CarbonylContact C-O 3.51Å; L278-P397 WeakPolarHBondContact CA-O 3.26Å; K279-P397 PolarHBondContact N-O 3.34Å; M395-P397 VanDerWaalsContact C-CD 3.42Å
398	L	98.6	Very high	96.7	Very high	9 Å²	9	36 Å²	36	5%	0.047	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-100.6	129.4	-174.1	179.6	63.3	0	0	0	111.5	E243 K279 K345 W354 H396	E243-L398 HydrophobicContact CB-CD2 4.47Å; K279-L398 HydrophobicContact CG-CD1 4.08Å; K279-L398 WeakPolarHBondContact O-CA 3.33Å; K345-L398 HydrophobicContact CB-CB 4.44Å; K345-L398 HydrophobicContact CB-CD2 4.3Å; K345-L398 HydrophobicContact CB-CG 4.13Å; K345-L398 WeakPolarHBondContact CB-O 3.5Å; K345-L398 HydrophobicContact CD-CD2 3.87Å; K345-L398 HydrophobicContact CD-CG 4.3Å; K345-L398 PolarHBondContact N-O 3.11Å; W354-L398 HydrophobicContact CE3-CD2 4.34Å; W354-L398 HydrophobicContact CZ3-CD2 4.14Å; H396-L398 PolarHBondContact O-N 3.07Å
399	M	98.5	Very high	96.5	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-79.9	150.2	171.4	-50.7	-48.9	-62.1	0	0	111.3	L278 K279 F340 G342 F344	L278-M399 HydrophobicContact CB-SD 4.18Å; L278-M399 HydrophobicContact CD1-SD 3.93Å; L278-M399 HydrophobicContact CD2-SD 4.17Å; L278-M399 HydrophobicContact CG-SD 4.33Å; K279-M399 PolarHBondContact O-N 3.48Å; F340-M399 HydrophobicContact CD1-CG 3.75Å; F340-M399 HydrophobicContact CD1-SD 4.27Å; F340-M399 HydrophobicContact CE1-CG 4.23Å; G342-M399 WeakPolarHBondContact O-CE 3.47Å; F344-M399 HydrophobicContact CD1-CE 4.02Å; F344-M399 HydrophobicContact CD1-SD 3.84Å; F344-M399 HydrophobicContact CE1-CE 4.06Å; F344-M399 HydrophobicContact CE1-SD 3.91Å; F344-M399 HydrophobicContact CG-CE 4.41Å; F344-M399 HydrophobicContact CZ-CE 4.48Å
400	D	97.8	Very high	96.3	Very high	36 Å²	36	37.9 Å²	37.9	19%	0.193	19%	0.193	C	C	.	.	S	Bend	trans	-71.9	-47.5	179.4	-177.4	50.9	0	0	0	112.1	R343 K345 P356	R343-D400 HydrophobicContact CB-CB 4.35Å; R343-D400 IonicContact CZ-OD2 3.35Å; R343-D400 IonicContact NE-OD2 3.19Å; R343-D400 IonicContact NH2-OD2 3.35Å; R343-D400 PolarHBondContact NH2-OD2 3.49Å; R343-D400 WeakPolarHBondContact O-CB 3.26Å; R343-D400 PolarHBondContact O-N 3.17Å; K345-D400 HydrophobicContact CB-CB 4.46Å; K345-D400 HydrophobicContact CG-CB 4.48Å; P356-D400 HydrophobicContact CB-CB 4.35Å; P356-D400 WeakPolarHBondContact CB-OD2 3.39Å; P356-D400 VanDerWaalsContact CG-OD2 3.29Å; P356-D400 WeakPolarHBondContact CG-OD2 3.3Å
401	E	96.7	Very high	96	Very high	71 Å²	71	38.6 Å²	38.6	33%	0.332	20%	0.196	S	C	.	.	S	Bend	trans	-73.9	143.7	-179.5	-68.4	-177.6	-162.9	0	0	111.9	S280 R338	S280-E401 PolarHBondContact OG-O 3.34Å; R338-E401 IonicContact NH1-OE2 3.81Å; R338-E401 PolarHBondContact NH1-OE2 3.14Å
402	A	98.1	Very high	95.8	Very high	34 Å²	34	35.4 Å²	35.4	28%	0.281	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-91.3	142.2	166.6	0	0	0	0	0	109.8	R281 N283 P404	R281-A402 HydrophobicContact CB-CB 3.92Å; R281-A402 HydrophobicContact CG-CB 4.19Å; R281-A402 CarbonylContact O-C 3.54Å; R281-A402 WeakPolarHBondContact O-CA 3.21Å; R281-A402 WeakPolarHBondContact O-CB 3.3Å; N283-A402 HydrophobicContact CB-CB 4.15Å; A402-P404 WeakPolarHBondContact O-CD 3.44Å
403	V	98.6	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	120.6	175.4	-172.6	0	0	0	0	109.2	V255 R281 L282 N283 Y331 V336 A339	V255-V403 HydrophobicContact CG1-CG2 3.74Å; R281-V403 PolarHBondContact O-N 2.91Å; L282-V403 HydrophobicContact CD2-CB 4.07Å; L282-V403 HydrophobicContact CD2-CG1 4.48Å; L282-V403 HydrophobicContact CD2-CG2 4.27Å; N283-V403 VanDerWaalsContact CB-O 3.3Å; N283-V403 WeakPolarHBondContact CB-O 3.46Å; N283-V403 PolarHBondContact N-O 2.77Å; Y331-V403 HydrophobicContact CD1-CB 4.42Å; Y331-V403 HydrophobicContact CD1-CG1 3.84Å; V336-V403 HydrophobicContact CB-CG1 4.43Å; V336-V403 HydrophobicContact CG2-CG1 3.8Å; A339-V403 HydrophobicContact CB-CG2 3.74Å
404	P	97.3	Very high	95.6	Very high	20 Å²	20	36.3 Å²	36.3	13%	0.13	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	142.7	176.9	30.1	-33.6	0	0	0	111.1	Y331 A402	Y331-P404 WeakPolarHBondContact CD1-O 3.36Å; A402-P404 WeakPolarHBondContact O-CD 3.44Å
405	S	95.4	Very high	95.5	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.042	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-72.2	154.2	165.4	67.5	0	0	0	0	110.8	N283 A330 A407 H408 R409	N283-S405 PolarHBondContact O-N 2.86Å; A330-S405 CarbonylContact O-C 3.43Å; A330-S405 VanDerWaalsContact O-CA 3.31Å; A330-S405 WeakPolarHBondContact O-CA 3.31Å; S405-A407 PolarHBondContact O-N 3.1Å; S405-H408 PolarHBondContact O-N 3.19Å; S405-R409 PolarHBondContact OG-N 3.17Å; S405-R409 PolarHBondContact OG-O 2.97Å
406	I	91.4	Very high	95.3	Very high	23 Å²	23	37.2 Å²	37.2	12%	0.118	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-58.6	130.9	170.3	-60.5	174.4	0	0	0	108.5	V311 A330 D332 H408 W411 L460	V311-I406 HydrophobicContact CB-CD1 4.35Å; V311-I406 HydrophobicContact CG1-CD1 3.71Å; A330-I406 HydrophobicContact CB-CD1 4.02Å; A330-I406 HydrophobicContact CB-CG1 4.49Å; A330-I406 PolarHBondContact O-N 2.86Å; D332-I406 HydrophobicContact CB-CD1 4.25Å; D332-I406 HydrophobicContact CB-CG1 4.25Å; I406-H408 PolarHBondContact O-N 3.26Å; I406-W411 HydrophobicContact CB-CZ2 3.97Å; I406-W411 HydrophobicContact CD1-CZ2 4.15Å; I406-W411 HydrophobicContact CG2-CZ2 4Å; I406-W411 PolarHBondContact O-NE1 2.96Å; I406-L460 HydrophobicContact CD1-CD1 3.9Å; I406-L460 HydrophobicContact CG2-CB 3.84Å; I406-L460 HydrophobicContact CG2-CD1 4.17Å
407	A	87.7	Confident	95.1	Very high	45 Å²	45	37 Å²	37	37%	0.372	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	65.5	10.6	-173.1	0	0	0	0	0	115.8	S405 R409	S405-A407 PolarHBondContact O-N 3.1Å; A407-R409 HydrophobicContact CB-CG 4.36Å; A407-R409 PolarHBondContact O-N 2.83Å
408	H	92.1	Very high	95	Very high	128 Å²	128	47.2 Å²	47.2	59%	0.593	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	53.4	26.8	177.4	-58.7	-78.9	0	0	0	114.8	S405 I406	S405-H408 PolarHBondContact O-N 3.19Å; I406-H408 PolarHBondContact O-N 3.26Å
409	R	92.2	Very high	94.8	Very high	120 Å²	120	47.7 Å²	47.7	45%	0.453	23%	0.232	S	C	.	.	S	Bend	trans	-153	165.6	177.8	68.4	-173.2	-175	-158.2	3.6	111	S405 A407 N461	S405-R409 PolarHBondContact OG-N 3.17Å; S405-R409 PolarHBondContact OG-O 2.97Å; A407-R409 HydrophobicContact CB-CG 4.36Å; A407-R409 PolarHBondContact O-N 2.83Å; R409-N461 PolarHBondContact NH2-O 2.78Å
410	P	94.4	Very high	94.8	Very high	12 Å²	12	48.6 Å²	48.6	8%	0.078	24%	0.235	C	C	.	.			trans	-69.5	146.7	170.4	-20.4	37.6	0	0	0	111	S285 I286 F294 A327 V328 L413	S285-P410 WeakPolarHBondContact O-CD 3.43Å; I286-P410 HydrophobicContact CG1-CG 4.06Å; F294-P410 HydrophobicContact CE2-CG 4.39Å; A327-P410 HydrophobicContact CB-CB 3.94Å; A327-P410 HydrophobicContact CB-CG 4.04Å; V328-P410 CarbonylContact O-C 3.58Å; V328-P410 WeakPolarHBondContact O-CA 3.11Å; P410-L413 HydrophobicContact CB-CD2 3.77Å; P410-L413 HydrophobicContact CB-CG 4.12Å; P410-L413 HydrophobicContact CG-CD2 3.87Å
411	W	91.4	Very high	94.8	Very high	17 Å²	17	46.9 Å²	46.9	6%	0.064	23%	0.226	C	C	.	.	S	Bend	trans	-84.1	-29.1	174.4	-68.7	9.5	0	0	0	112.3	M313 V328 A330 I406 A453 L460 S463	M313-W411 HydrophobicContact CE-CE3 4.4Å; M313-W411 HydrophobicContact CE-CH2 4.07Å; M313-W411 HydrophobicContact CE-CZ3 3.47Å; M313-W411 VanDerWaalsContact CE-CZ3 3.47Å; M313-W411 HydrophobicContact SD-CE3 4.47Å; M313-W411 HydrophobicContact SD-CZ3 4.03Å; V328-W411 PolarHBondContact O-N 2.98Å; A330-W411 HydrophobicContact CB-CD2 4.19Å; A330-W411 HydrophobicContact CB-CE3 4.35Å; A330-W411 HydrophobicContact CB-CH2 3.35Å; A330-W411 HydrophobicContact CB-CZ2 3.22Å; A330-W411 HydrophobicContact CB-CZ3 3.99Å; I406-W411 HydrophobicContact CB-CZ2 3.97Å; I406-W411 HydrophobicContact CD1-CZ2 4.15Å; I406-W411 HydrophobicContact CG2-CZ2 4Å; I406-W411 PolarHBondContact O-NE1 2.96Å; W411-A453 HydrophobicContact CE3-CB 4.33Å; W411-A453 HydrophobicContact CZ3-CB 4.08Å; W411-L460 HydrophobicContact CE3-CD2 4.45Å; W411-L460 HydrophobicContact CH2-CB 3.73Å; W411-L460 HydrophobicContact CH2-CD1 3.19Å; W411-L460 HydrophobicContact CH2-CD2 3.26Å; W411-L460 HydrophobicContact CH2-CG 3.43Å; W411-L460 VanDerWaalsContact CH2-CG 3.43Å; W411-L460 HydrophobicContact CZ2-CB 3.24Å; W411-L460 HydrophobicContact CZ2-CD1 3.35Å; W411-L460 HydrophobicContact CZ2-CD2 3.77Å; W411-L460 HydrophobicContact CZ2-CG 3.49Å; W411-L460 VanDerWaalsContact CZ2-CG 3.49Å; W411-L460 HydrophobicContact CZ3-CD1 4.34Å; W411-L460 HydrophobicContact CZ3-CD2 3.62Å; W411-L460 HydrophobicContact CZ3-CG 4.28Å; W411-S463 VanDerWaalsContact O-CB 3.27Å; W411-S463 WeakPolarHBondContact O-CB 3.26Å; W411-S463 PolarHBondContact O-OG 2.9Å
412	F	95.4	Very high	94.9	Very high	3 Å²	3	44.2 Å²	44.2	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.4	-180	-166.5	-97.9	0	0	0	109.5	A327 V328 K414 L421 L441 L449 F451 F465	A327-F412 CarbonylContact C-O 3.58Å; A327-F412 VanDerWaalsContact CA-O 3.31Å; A327-F412 WeakPolarHBondContact CA-O 3.46Å; V328-F412 HydrophobicContact CB-CB 4.01Å; V328-F412 HydrophobicContact CG2-CB 4.01Å; V328-F412 PolarHBondContact N-O 3.14Å; F412-K414 HydrophobicContact CD1-CG 4.34Å; F412-K414 HydrophobicContact CE1-CD 4.01Å; F412-K414 HydrophobicContact CE1-CG 3.51Å; F412-K414 HydrophobicContact CZ-CD 4.11Å; F412-K414 HydrophobicContact CZ-CG 4.14Å; F412-L421 HydrophobicContact CD1-CD1 4.13Å; F412-L421 HydrophobicContact CE1-CD1 4.26Å; F412-L441 HydrophobicContact CD1-CD1 3.63Å; F412-L441 HydrophobicContact CE1-CD1 4.01Å; F412-L441 HydrophobicContact CG-CD1 4.28Å; F412-L449 HydrophobicContact CE1-CD2 3.56Å; F412-L449 HydrophobicContact CZ-CD2 3.72Å; F412-F451 HydrophobicContact CB-CD1 4.37Å; F412-F451 HydrophobicContact CB-CE1 4.07Å; F412-F451 HydrophobicContact CB-CZ 4.3Å; F412-F451 HydrophobicContact CD2-CB 4.24Å; F412-F451 AromaticContact CD2-CD1 3.98Å; F412-F451 HydrophobicContact CD2-CD1 3.98Å; F412-F451 HydrophobicContact CD2-CG 4.09Å; F412-F451 HydrophobicContact CE2-CB 4.3Å; F412-F451 HydrophobicContact CE2-CD1 4.49Å; F412-F451 HydrophobicContact CG-CD1 4.09Å; F412-F451 HydrophobicContact CG-CE1 4.24Å; F412-F465 HydrophobicContact CE2-CB 4.03Å; F412-F465 HydrophobicContact CE2-CD1 4.27Å; F412-F465 HydrophobicContact CE2-CD2 4.04Å; F412-F465 AromaticContact CE2-CG 3.86Å; F412-F465 HydrophobicContact CE2-CG 3.86Å; F412-F465 HydrophobicContact CZ-CD1 4.15Å; F412-F465 HydrophobicContact CZ-CD2 4.05Å; F412-F465 HydrophobicContact CZ-CE1 4.26Å; F412-F465 HydrophobicContact CZ-CE2 4.17Å; F412-F465 HydrophobicContact CZ-CG 4.05Å; F412-F465 HydrophobicContact CZ-CZ 4.26Å
413	L	95.8	Very high	94.8	Very high	26 Å²	26	47 Å²	47	14%	0.136	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.2	-177.3	-72.3	173.5	0	0	0	109.9	P21 I286 F294 A327 P410	P21-L413 HydrophobicContact CB-CD1 3.94Å; P21-L413 HydrophobicContact CG-CD1 4.05Å; I286-L413 HydrophobicContact CD1-CD1 3.74Å; I286-L413 HydrophobicContact CD1-CD2 3.98Å; I286-L413 HydrophobicContact CG1-CD1 4.18Å; I286-L413 HydrophobicContact CG1-CD2 4.44Å; F294-L413 HydrophobicContact CE2-CD2 3.86Å; F294-L413 HydrophobicContact CZ-CD2 3.7Å; A327-L413 HydrophobicContact CB-CD2 3.84Å; P410-L413 HydrophobicContact CB-CD2 3.77Å; P410-L413 HydrophobicContact CB-CG 4.12Å; P410-L413 HydrophobicContact CG-CD2 3.87Å
414	K	96.5	Very high	94.9	Very high	13 Å²	13	47.7 Å²	47.7	6%	0.057	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	114.1	165.1	-70.3	-62.2	-69.2	160.6	0	109.6	D23 G325 S326 F412 V417 L421 L449	D23-K414 VanDerWaalsContact OD2-CE 3.26Å; D23-K414 WeakPolarHBondContact OD2-CE 3.46Å; D23-K414 IonicContact OD2-NZ 3.65Å; D23-K414 PolarHBondContact OD2-NZ 3.09Å; G325-K414 CarbonylContact C-O 3.52Å; G325-K414 WeakPolarHBondContact CA-O 3.29Å; S326-K414 PolarHBondContact N-O 2.94Å; S326-K414 PolarHBondContact O-N 3.5Å; F412-K414 HydrophobicContact CD1-CG 4.34Å; F412-K414 HydrophobicContact CE1-CD 4.01Å; F412-K414 HydrophobicContact CE1-CG 3.51Å; F412-K414 HydrophobicContact CZ-CD 4.11Å; F412-K414 HydrophobicContact CZ-CG 4.14Å; K414-V417 HydrophobicContact CB-CG2 3.95Å; K414-L421 HydrophobicContact CB-CD1 4.38Å; K414-L421 HydrophobicContact CG-CD1 4.28Å; K414-L449 HydrophobicContact CD-CD2 4.01Å; K414-L449 HydrophobicContact CG-CD2 3.77Å
415	T	94.9	Very high	94.9	Very high	28 Å²	28	47.7 Å²	47.7	17%	0.172	22%	0.221	C	C	.	.			trans	-127.4	-16.4	-174.6	60.4	0	0	0	0	113.3	F20 D23 V417	F20-T415 HydrophobicContact CE1-CG2 3.48Å; F20-T415 VanDerWaalsContact CE1-CG2 3.48Å; F20-T415 HydrophobicContact CZ-CG2 3.85Å; D23-T415 PolarHBondContact OD1-N 2.76Å; D23-T415 PolarHBondContact OD1-OG1 2.82Å; D23-T415 PolarHBondContact OD2-N 3.2Å; D23-T415 VanDerWaalsContact OD2-N 3.15Å; T415-V417 VanDerWaalsContact C-N 3.35Å
416	M	93.3	Very high	95	Very high	152 Å²	152	48.5 Å²	48.5	75%	0.749	23%	0.225	S	C	*	.	S	Bend	trans	-97.2	21.1	-179.8	-62.7	-65	-80.5	0	0	113	D23	D23-M416 HydrophobicContact CB-CG 4.46Å; D23-M416 PolarHBondContact OD2-N 3.32Å; D23-M416 VanDerWaalsContact OD2-N 3.11Å
417	V	94.3	Very high	95.2	Very high	28 Å²	28	48 Å²	48	17%	0.17	22%	0.223	C	C	.	.	S	Bend	trans	-123.8	154.5	-177.1	-61.5	0	0	0	0	112.2	K414 T415 Y419	K414-V417 HydrophobicContact CB-CG2 3.95Å; T415-V417 VanDerWaalsContact C-N 3.35Å; V417-Y419 HydrophobicContact CB-CD1 4.02Å; V417-Y419 HydrophobicContact CB-CE1 3.74Å; V417-Y419 HydrophobicContact CB-CE2 4.41Å; V417-Y419 HydrophobicContact CB-CG 4.47Å; V417-Y419 HydrophobicContact CG1-CE1 3.93Å; V417-Y419 HydrophobicContact CG2-CD1 4.33Å; V417-Y419 HydrophobicContact CG2-CD2 4.11Å; V417-Y419 HydrophobicContact CG2-CE1 4.14Å; V417-Y419 HydrophobicContact CG2-CE2 3.91Å; V417-Y419 HydrophobicContact CG2-CG 4.32Å
418	R	94.3	Very high	95.5	Very high	218 Å²	218	48.3 Å²	48.3	82%	0.823	22%	0.218	S	C	*	.	S	Bend	trans	-84.4	-10.7	-179.4	-62.8	-64.6	-173.1	175.6	-0.6	114.2
419	Y	95.9	Very high	95.6	Very high	19 Å²	19	46.3 Å²	46.3	8%	0.075	21%	0.209	C	C	.	.	S	Bend	trans	-103.6	157.4	-177.3	59.9	-101.8	0	0	0	111.7	V417 L421 K445 I447 L449 E468	V417-Y419 HydrophobicContact CB-CD1 4.02Å; V417-Y419 HydrophobicContact CB-CE1 3.74Å; V417-Y419 HydrophobicContact CB-CE2 4.41Å; V417-Y419 HydrophobicContact CB-CG 4.47Å; V417-Y419 HydrophobicContact CG1-CE1 3.93Å; V417-Y419 HydrophobicContact CG2-CD1 4.33Å; V417-Y419 HydrophobicContact CG2-CD2 4.11Å; V417-Y419 HydrophobicContact CG2-CE1 4.14Å; V417-Y419 HydrophobicContact CG2-CE2 3.91Å; V417-Y419 HydrophobicContact CG2-CG 4.32Å; Y419-L421 HydrophobicContact CE2-CD2 4.04Å; Y419-K445 HydrophobicContact CD1-CB 4.46Å; Y419-K445 HydrophobicContact CD1-CG 4.48Å; Y419-K445 HydrophobicContact CG-CB 4.48Å; Y419-K445 HydrophobicContact CG-CG 4.4Å; Y419-I447 HydrophobicContact CD1-CD1 3.97Å; Y419-I447 HydrophobicContact CE1-CD1 3.49Å; Y419-I447 VanDerWaalsContact CE1-CD1 3.49Å; Y419-L449 HydrophobicContact CE2-CD1 4.2Å; Y419-E468 PolarHBondContact OH-OE2 3.34Å
420	R	97.7	Very high	95.6	Very high	22 Å²	22	40.6 Å²	40.6	8%	0.083	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-98.8	148.2	169.9	-66.2	174.6	174.9	76.9	7.8	111.4	S317 P319 S326 S443 E444	S317-R420 WeakPolarHBondContact OG-CD 3.41Å; P319-R420 PolarHBondContact O-NH2 3.32Å; S326-R420 WeakPolarHBondContact OG-CA 3.23Å; R420-S443 VanDerWaalsContact O-CA 3.32Å; R420-S443 WeakPolarHBondContact O-CA 3.44Å; R420-S443 WeakPolarHBondContact O-CB 3.4Å; R420-E444 HydrophobicContact CB-CG 4.45Å; R420-E444 PolarHBondContact N-OE2 3.33Å; R420-E444 PolarHBondContact O-N 2.95Å
421	L	98.4	Very high	95.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	133.2	167.4	-55.9	174.3	0	0	0	108.5	Q298 S326 F412 K414 Y419 L441 G442 L449	Q298-L421 WeakPolarHBondContact CG-O 3.26Å; S326-L421 PolarHBondContact OG-N 3.32Å; F412-L421 HydrophobicContact CD1-CD1 4.13Å; F412-L421 HydrophobicContact CE1-CD1 4.26Å; K414-L421 HydrophobicContact CB-CD1 4.38Å; K414-L421 HydrophobicContact CG-CD1 4.28Å; Y419-L421 HydrophobicContact CE2-CD2 4.04Å; L421-L441 HydrophobicContact CD1-CD1 3.84Å; L421-L441 HydrophobicContact CD2-CB 4.36Å; L421-G442 CarbonylContact C-O 3.58Å; L421-G442 WeakPolarHBondContact CA-O 3.49Å; L421-L449 HydrophobicContact CD2-CD1 3.83Å; L421-L449 HydrophobicContact CD2-CD2 4.2Å
422	T	97	Very high	95.5	Very high	15 Å²	15	40.1 Å²	40.1	9%	0.092	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-77.7	-172.1	55.8	0	0	0	0	111	A299 T315 G442 E444	A299-T422 WeakPolarHBondContact CB-O 3.44Å; T315-T422 PolarHBondContact OG1-O 3.45Å; T422-G442 PolarHBondContact N-O 2.89Å; T422-G442 PolarHBondContact OG1-O 2.94Å; T422-E444 HydrophobicContact CG2-CG 3.64Å
423	R	98	Very high	95.3	Very high	93 Å²	93	46.1 Å²	46.1	35%	0.351	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	150.7	-174.7	-58.1	-51.2	-174.5	-179	6	111.2	L441 G442 I487 I488 M490	R423-L441 CarbonylContact O-C 3.45Å; R423-L441 WeakPolarHBondContact O-CA 3.38Å; R423-G442 PolarHBondContact O-N 3.27Å; R423-I487 HydrophobicContact CB-CG2 4.39Å; R423-I487 HydrophobicContact CG-CG2 4.06Å; R423-I488 PolarHBondContact NE-O 3.04Å; R423-I488 PolarHBondContact NH2-O 2.96Å; R423-M490 HydrophobicContact CB-CE 3.68Å; R423-M490 HydrophobicContact CB-CG 4.13Å; R423-M490 HydrophobicContact CB-SD 4.44Å; R423-M490 WeakPolarHBondContact O-CE 3.23Å
424	I	98.6	Very high	95.1	Very high	14 Å²	14	51.2 Å²	51.2	7%	0.072	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	134.4	177.3	-178.1	165.1	0	0	0	109.1	A299 T301 M313 T315 V328 V426 V439 F440 L441	A299-I424 HydrophobicContact CB-CG2 3.94Å; T301-I424 HydrophobicContact CG2-CB 4.42Å; T301-I424 HydrophobicContact CG2-CD1 4.16Å; T301-I424 HydrophobicContact CG2-CG1 3.9Å; T301-I424 HydrophobicContact CG2-CG2 3.77Å; M313-I424 HydrophobicContact CB-CD1 3.56Å; M313-I424 HydrophobicContact SD-CD1 4.49Å; T315-I424 HydrophobicContact CG2-CB 4.05Å; T315-I424 HydrophobicContact CG2-CD1 4.43Å; T315-I424 HydrophobicContact CG2-CG2 4.41Å; V328-I424 HydrophobicContact CG1-CD1 4.03Å; I424-V426 HydrophobicContact CG1-CG2 4.33Å; I424-V439 HydrophobicContact CD1-CG1 3.87Å; I424-V439 HydrophobicContact CG1-CG1 3.9Å; I424-F440 WeakPolarHBondContact CA-O 3.23Å; I424-L441 HydrophobicContact CB-CD2 4.07Å; I424-L441 HydrophobicContact CD1-CD2 3.8Å; I424-L441 HydrophobicContact CG1-CD2 3.79Å
425	V	98.3	Very high	94.8	Very high	20 Å²	20	54.8 Å²	54.8	12%	0.121	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.4	168.5	-66.5	0	0	0	0	108.7	F440 M490 I492 L499	V425-F440 HydrophobicContact CG2-CB 3.84Å; V425-F440 HydrophobicContact CG2-CD2 4.49Å; V425-F440 PolarHBondContact N-O 3.39Å; V425-F440 PolarHBondContact O-N 3.36Å; V425-M490 HydrophobicContact CG1-CB 3.77Å; V425-M490 WeakPolarHBondContact CG1-O 3.45Å; V425-M490 HydrophobicContact CG2-CB 4.11Å; V425-M490 HydrophobicContact CG2-CE 3.97Å; V425-I492 HydrophobicContact CB-CD1 3.87Å; V425-I492 HydrophobicContact CB-CG1 3.94Å; V425-I492 HydrophobicContact CG2-CD1 3.74Å; V425-I492 HydrophobicContact CG2-CG1 3.64Å; V425-L499 HydrophobicContact CG2-CD1 3.6Å
426	V	97.3	Very high	94.6	Very high	23 Å²	23	54.2 Å²	54.2	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.5	-170.8	-178.1	0	0	0	0	109.2	T301 I304 M313 I424 T437 V438 V439 I492	T301-V426 HydrophobicContact CG2-CG2 3.89Å; I304-V426 HydrophobicContact CD1-CB 3.57Å; I304-V426 HydrophobicContact CD1-CG1 3.98Å; I304-V426 HydrophobicContact CD1-CG2 3.61Å; I304-V426 HydrophobicContact CG2-CG1 4.47Å; M313-V426 HydrophobicContact CE-CG1 4.36Å; M313-V426 HydrophobicContact CE-CG2 4.45Å; M313-V426 HydrophobicContact SD-CG2 3.95Å; I424-V426 HydrophobicContact CG1-CG2 4.33Å; V426-T437 HydrophobicContact CG1-CG2 3.49Å; V426-T437 VanDerWaalsContact CG1-CG2 3.49Å; V426-V438 WeakPolarHBondContact CA-O 3.23Å; V426-V439 HydrophobicContact CG1-CG2 4.23Å; V426-V439 HydrophobicContact CG2-CG1 4.15Å; V426-V439 HydrophobicContact CG2-CG2 4.09Å; V426-I492 VanDerWaalsContact C-CD1 3.45Å
427	D	96	Very high	94.7	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.07	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.6	163.6	-177.2	-1.3	0	0	0	107.7	E429 A430 T437 V438 I492 Y532	D427-E429 VanDerWaalsContact C-N 3.33Å; D427-E429 PolarHBondContact OD1-N 2.82Å; D427-A430 PolarHBondContact OD1-N 3.37Å; D427-T437 CarbonylContact O-C 3.55Å; D427-T437 VanDerWaalsContact O-CA 3.29Å; D427-T437 WeakPolarHBondContact O-CA 3.29Å; D427-V438 PolarHBondContact N-O 3.23Å; D427-V438 PolarHBondContact O-N 3.11Å; D427-I492 HydrophobicContact CB-CD1 4.08Å; D427-Y532 VanDerWaalsContact CB-OH 3.3Å; D427-Y532 WeakPolarHBondContact CB-OH 3.25Å; D427-Y532 VanDerWaalsContact CG-OH 3.29Å; D427-Y532 WeakPolarHBondContact OD2-CE1 3.29Å; D427-Y532 PolarHBondContact OD2-OH 2.93Å
428	N	94.1	Very high	94.8	Very high	51 Å²	51	46 Å²	46	27%	0.273	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-0.1	-179	65.4	-38.4	0	0	0	113.6	I304 H305 I306 H436	I304-N428 HydrophobicContact CG2-CB 3.54Å; H305-N428 PolarHBondContact O-ND2 2.97Å; I306-N428 HydrophobicContact CG1-CB 4.47Å; N428-H436 CarbonylContact C-O 3.51Å
429	E	93.2	Very high	95	Very high	85 Å²	85	35.6 Å²	35.6	40%	0.397	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	34.2	-176.1	-65.1	-175.3	135.2	0	0	110.9	D427 R434	D427-E429 VanDerWaalsContact C-N 3.33Å; D427-E429 PolarHBondContact OD1-N 2.82Å; E429-R434 HydrophobicContact CB-CB 3.97Å; E429-R434 HydrophobicContact CB-CG 4.24Å; E429-R434 WeakPolarHBondContact O-CA 3.31Å; E429-R434 WeakPolarHBondContact O-CG 3.31Å; E429-R434 IonicContact OE1-CZ 2.73Å; E429-R434 IonicContact OE1-NE 3.16Å; E429-R434 IonicContact OE1-NH2 3.13Å; E429-R434 PolarHBondContact OE1-NH2 3.24Å; E429-R434 IonicContact OE2-CZ 2.75Å; E429-R434 IonicContact OE2-NE 2.91Å; E429-R434 PolarHBondContact OE2-NE 3.19Å; E429-R434 IonicContact OE2-NH2 2.66Å; E429-R434 PolarHBondContact OE2-NH2 3Å
430	A	93.3	Very high	95.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	148.6	-177.5	0	0	0	0	0	112	D427 H436 V438 P531 Y532	D427-A430 PolarHBondContact OD1-N 3.37Å; A430-H436 HydrophobicContact CB-CB 4.29Å; A430-H436 WeakPolarHBondContact CB-O 3.07Å; A430-H436 PolarHBondContact N-O 3.4Å; A430-H436 PolarHBondContact O-N 2.98Å; A430-V438 HydrophobicContact CB-CB 4.25Å; A430-V438 HydrophobicContact CB-CG2 3.62Å; A430-P531 HydrophobicContact CB-CB 4.31Å; A430-Y532 HydrophobicContact CB-CE1 3.7Å; A430-Y532 HydrophobicContact CB-CE2 4.44Å
431	G	91.9	Very high	95.2	Very high	8 Å²	8	33.8 Å²	33.8	8%	0.082	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	176.6	176.1	0	0	0	0	0	115.4	H433 R434 P531	G431-H433 VanDerWaalsContact C-N 3.26Å; G431-H433 PolarHBondContact O-N 3.4Å; G431-R434 PolarHBondContact O-N 3.05Å; G431-R434 VanDerWaalsContact O-N 3.14Å; G431-P531 WeakPolarHBondContact CA-O 3.5Å
432	P	91.1	Very high	95.2	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.071	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.6	-168.8	25.4	-33.3	0	0	0	113.4	V544 T546 F552	P432-V544 HydrophobicContact CG-CG2 4.25Å; P432-T546 WeakPolarHBondContact O-CG2 3.46Å; P432-F552 HydrophobicContact CB-CE1 4.2Å; P432-F552 HydrophobicContact CB-CE2 4.18Å; P432-F552 HydrophobicContact CB-CZ 3.53Å; P432-F552 HydrophobicContact CG-CE2 3.61Å; P432-F552 HydrophobicContact CG-CZ 3.47Å; P432-F552 VanDerWaalsContact CG-CZ 3.47Å
433	H	91	Very high	95.3	Very high	129 Å²	129	33 Å²	33	60%	0.597	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	4.2	177.8	-54.9	-58.8	0	0	0	113.4	G431 N435	G431-H433 VanDerWaalsContact C-N 3.26Å; G431-H433 PolarHBondContact O-N 3.4Å; H433-N435 HydrophobicContact CB-CB 4.46Å; H433-N435 PolarHBondContact O-N 3.46Å
434	R	91.4	Very high	95.2	Very high	134 Å²	134	30.9 Å²	30.9	51%	0.506	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	38.5	-179.9	-63.8	177.1	69.4	-164.9	5.8	113.8	E429 G431 T546	E429-R434 HydrophobicContact CB-CB 3.97Å; E429-R434 HydrophobicContact CB-CG 4.24Å; E429-R434 WeakPolarHBondContact O-CA 3.31Å; E429-R434 WeakPolarHBondContact O-CG 3.31Å; E429-R434 IonicContact OE1-CZ 2.73Å; E429-R434 IonicContact OE1-NE 3.16Å; E429-R434 IonicContact OE1-NH2 3.13Å; E429-R434 PolarHBondContact OE1-NH2 3.24Å; E429-R434 IonicContact OE2-CZ 2.75Å; E429-R434 IonicContact OE2-NE 2.91Å; E429-R434 PolarHBondContact OE2-NE 3.19Å; E429-R434 IonicContact OE2-NH2 2.66Å; E429-R434 PolarHBondContact OE2-NH2 3Å; G431-R434 PolarHBondContact O-N 3.05Å; G431-R434 VanDerWaalsContact O-N 3.14Å; R434-T546 HydrophobicContact CG-CG2 3.65Å
435	N	89.9	Confident	95.1	Very high	87 Å²	87	35.9 Å²	35.9	47%	0.465	17%	0.171	S	C	.	.			trans	-122.7	0.7	-171.5	67.2	-31.5	0	0	0	113.2	H433	H433-N435 HydrophobicContact CB-CB 4.46Å; H433-N435 PolarHBondContact O-N 3.46Å
436	H	92.7	Very high	95.1	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.079	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	146.7	176.2	-65.6	-66.7	0	0	0	110.7	N428 A430 L452 P531 E557	N428-H436 CarbonylContact C-O 3.51Å; A430-H436 HydrophobicContact CB-CB 4.29Å; A430-H436 WeakPolarHBondContact CB-O 3.07Å; A430-H436 PolarHBondContact N-O 3.4Å; A430-H436 PolarHBondContact O-N 2.98Å; H436-L452 HydrophobicContact CB-CD1 3.93Å; H436-P531 HydrophobicContact CB-CB 3.87Å; H436-P531 HydrophobicContact CB-CG 3.82Å; H436-E557 IonicContact CE1-OE1 2.69Å; H436-E557 PolarHBondContact CE1-OE1 3.15Å
437	T	94.4	Very high	95.1	Very high	6 Å²	6	35 Å²	35	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.4	174	-60.5	0	0	0	0	110.5	I306 M313 V426 D427 V439 A453	I306-T437 HydrophobicContact CD1-CG2 4.09Å; I306-T437 WeakPolarHBondContact CG2-OG1 3.3Å; M313-T437 HydrophobicContact CE-CG2 4.34Å; V426-T437 HydrophobicContact CG1-CG2 3.49Å; V426-T437 VanDerWaalsContact CG1-CG2 3.49Å; D427-T437 CarbonylContact O-C 3.55Å; D427-T437 VanDerWaalsContact O-CA 3.29Å; D427-T437 WeakPolarHBondContact O-CA 3.29Å; T437-V439 HydrophobicContact CG2-CG2 4.45Å; T437-A453 HydrophobicContact CG2-CB 4.21Å; T437-A453 PolarHBondContact O-N 3.3Å
438	V	96.7	Very high	95.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.3	177.9	179.8	0	0	0	0	109.3	V426 D427 A430 F440 K450 L452 P531 Y532	V426-V438 WeakPolarHBondContact CA-O 3.23Å; D427-V438 PolarHBondContact N-O 3.23Å; D427-V438 PolarHBondContact O-N 3.11Å; A430-V438 HydrophobicContact CB-CB 4.25Å; A430-V438 HydrophobicContact CB-CG2 3.62Å; V438-F440 HydrophobicContact CB-CE2 4.36Å; V438-F440 HydrophobicContact CG1-CD2 4.25Å; V438-F440 HydrophobicContact CG1-CE2 3.62Å; V438-F440 HydrophobicContact CG1-CZ 3.8Å; V438-K450 HydrophobicContact CG1-CD 4.36Å; V438-K450 HydrophobicContact CG1-CG 3.79Å; V438-L452 HydrophobicContact CG2-CD1 4.33Å; V438-P531 HydrophobicContact CG2-CG 3.84Å; V438-Y532 HydrophobicContact CB-CE2 4.28Å; V438-Y532 HydrophobicContact CG1-CE2 4.19Å; V438-Y532 HydrophobicContact CG2-CE2 4.05Å
439	V	98	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.3	-179.7	-176.8	0	0	0	0	109.2	M313 I424 V426 T437 L441 K450 F451	M313-V439 HydrophobicContact CE-CG2 4.14Å; M313-V439 HydrophobicContact SD-CG2 3.75Å; I424-V439 HydrophobicContact CD1-CG1 3.87Å; I424-V439 HydrophobicContact CG1-CG1 3.9Å; V426-V439 HydrophobicContact CG1-CG2 4.23Å; V426-V439 HydrophobicContact CG2-CG1 4.15Å; V426-V439 HydrophobicContact CG2-CG2 4.09Å; T437-V439 HydrophobicContact CG2-CG2 4.45Å; V439-L441 HydrophobicContact CG1-CD2 3.82Å; V439-L441 HydrophobicContact CG1-CG 4.38Å; V439-K450 WeakPolarHBondContact O-CA 3.36Å; V439-F451 HydrophobicContact CB-CD1 3.91Å; V439-F451 HydrophobicContact CB-CD2 4.22Å; V439-F451 HydrophobicContact CB-CE1 3.42Å; V439-F451 VanDerWaalsContact CB-CE1 3.42Å; V439-F451 HydrophobicContact CB-CE2 3.78Å; V439-F451 HydrophobicContact CB-CG 4.29Å; V439-F451 HydrophobicContact CB-CZ 3.37Å; V439-F451 HydrophobicContact CG1-CD1 4.19Å; V439-F451 HydrophobicContact CG1-CE1 3.36Å; V439-F451 HydrophobicContact CG1-CE2 4.42Å; V439-F451 HydrophobicContact CG1-CZ 3.52Å; V439-F451 HydrophobicContact CG2-CD2 4.4Å; V439-F451 HydrophobicContact CG2-CE1 4.16Å; V439-F451 HydrophobicContact CG2-CE2 3.69Å; V439-F451 HydrophobicContact CG2-CZ 3.56Å; V439-F451 PolarHBondContact N-O 2.7Å; V439-F451 PolarHBondContact O-N 2.67Å
440	F	98.7	Very high	95.7	Very high	3 Å²	3	28 Å²	28	1%	0.013	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.8	173.6	-59.5	-96.6	0	0	0	109.5	I424 V425 V438 I448 L449 K450 M490 I492 L499 L512 Y532	I424-F440 WeakPolarHBondContact CA-O 3.23Å; V425-F440 HydrophobicContact CG2-CB 3.84Å; V425-F440 HydrophobicContact CG2-CD2 4.49Å; V425-F440 PolarHBondContact N-O 3.39Å; V425-F440 PolarHBondContact O-N 3.36Å; V438-F440 HydrophobicContact CB-CE2 4.36Å; V438-F440 HydrophobicContact CG1-CD2 4.25Å; V438-F440 HydrophobicContact CG1-CE2 3.62Å; V438-F440 HydrophobicContact CG1-CZ 3.8Å; F440-I448 HydrophobicContact CB-CG2 4.4Å; F440-I448 HydrophobicContact CD1-CG2 4.23Å; F440-L449 CarbonylContact C-O 3.5Å; F440-L449 WeakPolarHBondContact CA-O 3.31Å; F440-K450 HydrophobicContact CD1-CB 4.11Å; F440-K450 HydrophobicContact CD1-CG 4.09Å; F440-K450 HydrophobicContact CE1-CB 4.16Å; F440-K450 HydrophobicContact CE1-CD 3.75Å; F440-K450 HydrophobicContact CE1-CG 3.74Å; F440-K450 HydrophobicContact CZ-CD 4.19Å; F440-K450 HydrophobicContact CZ-CG 4.22Å; F440-M490 WeakPolarHBondContact O-CE 3.37Å; F440-I492 HydrophobicContact CD2-CD1 4.02Å; F440-I492 HydrophobicContact CE2-CD1 4.3Å; F440-L499 HydrophobicContact CB-CD2 4.1Å; F440-L499 HydrophobicContact CD1-CD2 3.82Å; F440-L499 HydrophobicContact CE1-CD2 4.45Å; F440-L499 HydrophobicContact CG-CD2 4.03Å; F440-L512 HydrophobicContact CE1-CD2 4.33Å; F440-L512 HydrophobicContact CE2-CD2 3.85Å; F440-L512 HydrophobicContact CZ-CB 4.45Å; F440-L512 HydrophobicContact CZ-CD2 3.62Å; F440-Y532 HydrophobicContact CZ-CE2 4.25Å
441	L	98.8	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.2	179.5	-52.8	177.4	0	0	0	109.6	T315 V328 F412 L421 R423 I424 V439 I448 L449 F451	T315-L441 HydrophobicContact CG2-CD2 4.03Å; V328-L441 HydrophobicContact CG2-CD1 3.56Å; V328-L441 HydrophobicContact CG2-CD2 3.79Å; V328-L441 HydrophobicContact CG2-CG 4.34Å; F412-L441 HydrophobicContact CD1-CD1 3.63Å; F412-L441 HydrophobicContact CE1-CD1 4.01Å; F412-L441 HydrophobicContact CG-CD1 4.28Å; L421-L441 HydrophobicContact CD1-CD1 3.84Å; L421-L441 HydrophobicContact CD2-CB 4.36Å; R423-L441 CarbonylContact O-C 3.45Å; R423-L441 WeakPolarHBondContact O-CA 3.38Å; I424-L441 HydrophobicContact CB-CD2 4.07Å; I424-L441 HydrophobicContact CD1-CD2 3.8Å; I424-L441 HydrophobicContact CG1-CD2 3.79Å; V439-L441 HydrophobicContact CG1-CD2 3.82Å; V439-L441 HydrophobicContact CG1-CG 4.38Å; L441-I448 CarbonylContact O-C 3.43Å; L441-I448 WeakPolarHBondContact O-CA 3.34Å; L441-L449 HydrophobicContact CB-CB 4.28Å; L441-L449 PolarHBondContact N-O 2.96Å; L441-L449 PolarHBondContact O-N 3.33Å; L441-F451 HydrophobicContact CD1-CD1 4.02Å; L441-F451 HydrophobicContact CD1-CE1 3.76Å; L441-F451 HydrophobicContact CD2-CE1 4.16Å; L441-F451 HydrophobicContact CG-CD1 4.27Å; L441-F451 HydrophobicContact CG-CE1 3.94Å
442	G	98.6	Very high	96.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	159.7	171.9	0	0	0	0	0	111.7	L421 T422 R423 M490	L421-G442 CarbonylContact C-O 3.58Å; L421-G442 WeakPolarHBondContact CA-O 3.49Å; T422-G442 PolarHBondContact N-O 2.89Å; T422-G442 PolarHBondContact OG1-O 2.94Å; R423-G442 PolarHBondContact O-N 3.27Å; G442-M490 VanDerWaalsContact N-CE 3.31Å
443	S	98.4	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	171.4	178.9	67.9	0	0	0	0	113.6	R420 K445 I447 I487	R420-S443 VanDerWaalsContact O-CA 3.32Å; R420-S443 WeakPolarHBondContact O-CA 3.44Å; R420-S443 WeakPolarHBondContact O-CB 3.4Å; S443-K445 PolarHBondContact O-N 3.39Å; S443-K445 PolarHBondContact OG-N 3.41Å; S443-I447 WeakPolarHBondContact CB-O 3.33Å; S443-I447 PolarHBondContact N-O 2.79Å; S443-I447 VanDerWaalsContact N-O 3.09Å; S443-I447 WeakPolarHBondContact OG-CA 3.42Å; S443-I447 WeakPolarHBondContact OG-CB 3.45Å; S443-I447 PolarHBondContact OG-N 3.05Å; S443-I447 PolarHBondContact OG-O 3.37Å; S443-I487 PolarHBondContact O-N 3.46Å; S443-I487 VanDerWaalsContact O-N 3.16Å
444	E	97.1	Very high	95.7	Very high	47 Å²	47	23.6 Å²	23.6	22%	0.22	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-5.6	173.1	-62.9	175.7	148.1	0	0	113.9	R420 T422 K485 R486	R420-E444 HydrophobicContact CB-CG 4.45Å; R420-E444 PolarHBondContact N-OE2 3.33Å; R420-E444 PolarHBondContact O-N 2.95Å; T422-E444 HydrophobicContact CG2-CG 3.64Å; E444-K485 CarbonylContact O-C 3.57Å; E444-R486 HydrophobicContact CB-CG 4.21Å; E444-R486 WeakPolarHBondContact O-CG 3.49Å
445	K	96.9	Very high	94.6	Very high	119 Å²	119	19.1 Å²	19.1	52%	0.517	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	14	-175.1	-67.5	-63.6	-174.6	-179.2	0	114	Y419 S443 I447 K485	Y419-K445 HydrophobicContact CD1-CB 4.46Å; Y419-K445 HydrophobicContact CD1-CG 4.48Å; Y419-K445 HydrophobicContact CG-CB 4.48Å; Y419-K445 HydrophobicContact CG-CG 4.4Å; S443-K445 PolarHBondContact O-N 3.39Å; S443-K445 PolarHBondContact OG-N 3.41Å; K445-I447 HydrophobicContact CB-CD1 4.49Å; K445-I447 PolarHBondContact O-N 3.25Å; K445-K485 CarbonylContact C-O 3.51Å
446	G	97.3	Very high	93.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	75.6	13.8	177.7	0	0	0	0	0	113.5	V471 K485	G446-V471 WeakPolarHBondContact O-CG2 3.25Å; G446-V471 PolarHBondContact O-N 2.84Å; G446-K485 VanDerWaalsContact CA-O 3.32Å; G446-K485 WeakPolarHBondContact CA-O 3.44Å; G446-K485 PolarHBondContact N-O 2.65Å
447	I	98.3	Very high	91.6	Very high	26 Å²	26	28.2 Å²	28.2	13%	0.133	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.5	174.5	-56.7	170.8	0	0	0	108.7	Y419 S443 K445 L449 E468 L469	Y419-I447 HydrophobicContact CD1-CD1 3.97Å; Y419-I447 HydrophobicContact CE1-CD1 3.49Å; Y419-I447 VanDerWaalsContact CE1-CD1 3.49Å; S443-I447 WeakPolarHBondContact CB-O 3.33Å; S443-I447 PolarHBondContact N-O 2.79Å; S443-I447 VanDerWaalsContact N-O 3.09Å; S443-I447 WeakPolarHBondContact OG-CA 3.42Å; S443-I447 WeakPolarHBondContact OG-CB 3.45Å; S443-I447 PolarHBondContact OG-N 3.05Å; S443-I447 PolarHBondContact OG-O 3.37Å; K445-I447 HydrophobicContact CB-CD1 4.49Å; K445-I447 PolarHBondContact O-N 3.25Å; I447-L449 HydrophobicContact CG2-CD1 3.82Å; I447-E468 HydrophobicContact CG2-CG 3.46Å; I447-E468 VanDerWaalsContact CG2-CG 3.46Å; I447-L469 CarbonylContact C-O 3.55Å; I447-L469 WeakPolarHBondContact CA-O 3.17Å
448	I	98.6	Very high	89.6	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.2	172	-65.5	179	0	0	0	108.8	F440 L441 L469 V471 I487 M490 L499 V501	F440-I448 HydrophobicContact CB-CG2 4.4Å; F440-I448 HydrophobicContact CD1-CG2 4.23Å; L441-I448 CarbonylContact O-C 3.43Å; L441-I448 WeakPolarHBondContact O-CA 3.34Å; I448-L469 HydrophobicContact CB-CB 4.32Å; I448-L469 HydrophobicContact CB-CD1 4.43Å; I448-L469 HydrophobicContact CG2-CD1 4.27Å; I448-L469 PolarHBondContact N-O 3.25Å; I448-L469 PolarHBondContact O-N 2.88Å; I448-V471 HydrophobicContact CD1-CB 4.47Å; I448-V471 HydrophobicContact CD1-CG1 4.05Å; I448-V471 HydrophobicContact CD1-CG2 3.62Å; I448-V471 HydrophobicContact CG1-CG1 4.46Å; I448-V471 HydrophobicContact CG1-CG2 3.98Å; I448-I487 HydrophobicContact CD1-CD1 4.33Å; I448-I487 HydrophobicContact CG1-CD1 3.74Å; I448-M490 HydrophobicContact CD1-SD 4.28Å; I448-M490 HydrophobicContact CG1-SD 4.48Å; I448-L499 HydrophobicContact CD1-CD2 3.88Å; I448-L499 HydrophobicContact CG2-CD2 4.35Å; I448-V501 HydrophobicContact CD1-CB 4.37Å; I448-V501 HydrophobicContact CD1-CG1 4.06Å; I448-V501 HydrophobicContact CD1-CG2 3.41Å; I448-V501 VanDerWaalsContact CD1-CG2 3.41Å
449	L	98.7	Very high	87.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129	174.4	-68.2	76.3	0	0	0	107.9	F412 K414 Y419 L421 F440 L441 I447 F465 E468	F412-L449 HydrophobicContact CE1-CD2 3.56Å; F412-L449 HydrophobicContact CZ-CD2 3.72Å; K414-L449 HydrophobicContact CD-CD2 4.01Å; K414-L449 HydrophobicContact CG-CD2 3.77Å; Y419-L449 HydrophobicContact CE2-CD1 4.2Å; L421-L449 HydrophobicContact CD2-CD1 3.83Å; L421-L449 HydrophobicContact CD2-CD2 4.2Å; F440-L449 CarbonylContact C-O 3.5Å; F440-L449 WeakPolarHBondContact CA-O 3.31Å; L441-L449 HydrophobicContact CB-CB 4.28Å; L441-L449 PolarHBondContact N-O 2.96Å; L441-L449 PolarHBondContact O-N 3.33Å; I447-L449 HydrophobicContact CG2-CD1 3.82Å; L449-F465 HydrophobicContact CB-CE2 3.8Å; L449-F465 HydrophobicContact CB-CZ 4.21Å; L449-F465 HydrophobicContact CD2-CE1 4.45Å; L449-F465 HydrophobicContact CD2-CE2 4.07Å; L449-F465 HydrophobicContact CD2-CZ 3.68Å; L449-F465 HydrophobicContact CG-CE2 3.94Å; L449-F465 HydrophobicContact CG-CZ 3.82Å; L449-E468 HydrophobicContact CG-CG 4.5Å
450	K	98.5	Very high	85.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.9	179.1	178.8	-173.8	177.3	175.4	0	108.6	V438 V439 F440 F465 L466 E467 L512 D530	V438-K450 HydrophobicContact CG1-CD 4.36Å; V438-K450 HydrophobicContact CG1-CG 3.79Å; V439-K450 WeakPolarHBondContact O-CA 3.36Å; F440-K450 HydrophobicContact CD1-CB 4.11Å; F440-K450 HydrophobicContact CD1-CG 4.09Å; F440-K450 HydrophobicContact CE1-CB 4.16Å; F440-K450 HydrophobicContact CE1-CD 3.75Å; F440-K450 HydrophobicContact CE1-CG 3.74Å; F440-K450 HydrophobicContact CZ-CD 4.19Å; F440-K450 HydrophobicContact CZ-CG 4.22Å; K450-F465 WeakPolarHBondContact O-CD2 3.4Å; K450-L466 HydrophobicContact CD-CB 4.42Å; K450-L466 HydrophobicContact CD-CD1 4.37Å; K450-L466 HydrophobicContact CG-CB 4.31Å; K450-L466 HydrophobicContact CG-CD1 4.27Å; K450-L466 WeakPolarHBondContact O-CB 3.34Å; K450-L466 PolarHBondContact O-N 3.06Å; K450-E467 HydrophobicContact CB-CB 4.19Å; K450-E467 HydrophobicContact CD-CB 4.38Å; K450-E467 PolarHBondContact N-O 3.07Å; K450-E467 PolarHBondContact O-N 3.19Å; K450-E467 VanDerWaalsContact O-N 3.11Å; K450-L512 PolarHBondContact NZ-O 2.87Å; K450-D530 IonicContact NZ-OD1 2.67Å; K450-D530 PolarHBondContact NZ-OD1 3.01Å; K450-D530 IonicContact NZ-OD2 3.87Å; K450-D530 PolarHBondContact NZ-OD2 3.38Å
451	F	97.3	Very high	84	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.2	175.5	76.2	-97.3	0	0	0	111.9	V328 F412 V439 L441 A453 L464	V328-F451 HydrophobicContact CG1-CZ 4.44Å; F412-F451 HydrophobicContact CB-CD1 4.37Å; F412-F451 HydrophobicContact CB-CE1 4.07Å; F412-F451 HydrophobicContact CB-CZ 4.3Å; F412-F451 HydrophobicContact CD2-CB 4.24Å; F412-F451 AromaticContact CD2-CD1 3.98Å; F412-F451 HydrophobicContact CD2-CD1 3.98Å; F412-F451 HydrophobicContact CD2-CG 4.09Å; F412-F451 HydrophobicContact CE2-CB 4.3Å; F412-F451 HydrophobicContact CE2-CD1 4.49Å; F412-F451 HydrophobicContact CG-CD1 4.09Å; F412-F451 HydrophobicContact CG-CE1 4.24Å; V439-F451 HydrophobicContact CB-CD1 3.91Å; V439-F451 HydrophobicContact CB-CD2 4.22Å; V439-F451 HydrophobicContact CB-CE1 3.42Å; V439-F451 VanDerWaalsContact CB-CE1 3.42Å; V439-F451 HydrophobicContact CB-CE2 3.78Å; V439-F451 HydrophobicContact CB-CG 4.29Å; V439-F451 HydrophobicContact CB-CZ 3.37Å; V439-F451 HydrophobicContact CG1-CD1 4.19Å; V439-F451 HydrophobicContact CG1-CE1 3.36Å; V439-F451 HydrophobicContact CG1-CE2 4.42Å; V439-F451 HydrophobicContact CG1-CZ 3.52Å; V439-F451 HydrophobicContact CG2-CD2 4.4Å; V439-F451 HydrophobicContact CG2-CE1 4.16Å; V439-F451 HydrophobicContact CG2-CE2 3.69Å; V439-F451 HydrophobicContact CG2-CZ 3.56Å; V439-F451 PolarHBondContact N-O 2.7Å; V439-F451 PolarHBondContact O-N 2.67Å; L441-F451 HydrophobicContact CD1-CD1 4.02Å; L441-F451 HydrophobicContact CD1-CE1 3.76Å; L441-F451 HydrophobicContact CD2-CE1 4.16Å; L441-F451 HydrophobicContact CG-CD1 4.27Å; L441-F451 HydrophobicContact CG-CE1 3.94Å; F451-A453 HydrophobicContact CE2-CB 4.38Å; F451-L464 CarbonylContact C-O 3.59Å; F451-L464 WeakPolarHBondContact CA-O 3.47Å; F451-L464 VanDerWaalsContact CB-O 3.29Å; F451-L464 WeakPolarHBondContact CB-O 3.43Å
452	L	95.3	Very high	83	Confident	2 Å²	2	43 Å²	43	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125	172.8	175.9	71.3	0	0	0	109.1	H436 V438 K454 S463 L464 L466 P531 V556	H436-L452 HydrophobicContact CB-CD1 3.93Å; V438-L452 HydrophobicContact CG2-CD1 4.33Å; L452-K454 HydrophobicContact CD2-CG 4.48Å; L452-K454 PolarHBondContact O-N 3.38Å; L452-S463 CarbonylContact O-C 3.52Å; L452-S463 WeakPolarHBondContact O-CA 3.07Å; L452-L464 HydrophobicContact CB-CB 4.26Å; L452-L464 HydrophobicContact CD2-CD2 4.45Å; L452-L464 PolarHBondContact N-O 2.86Å; L452-L464 PolarHBondContact O-N 3.22Å; L452-L466 HydrophobicContact CB-CD1 4.02Å; L452-L466 HydrophobicContact CB-CD2 4.35Å; L452-L466 HydrophobicContact CB-CG 4.19Å; L452-P531 HydrophobicContact CD1-CG 3.76Å; L452-V556 HydrophobicContact CD2-CG1 3.52Å
453	A	91.4	Very high	82.6	Confident	6 Å²	6	44 Å²	44	5%	0.05	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	114.2	171.3	0	0	0	0	0	109.4	W411 T437 F451 L460	W411-A453 HydrophobicContact CE3-CB 4.33Å; W411-A453 HydrophobicContact CZ3-CB 4.08Å; T437-A453 HydrophobicContact CG2-CB 4.21Å; T437-A453 PolarHBondContact O-N 3.3Å; F451-A453 HydrophobicContact CE2-CB 4.38Å; A453-L460 HydrophobicContact CB-CD2 4.43Å
454	K	82.4	Confident	82.4	Confident	46 Å²	46	45.3 Å²	45.3	20%	0.2	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	117.7	179.7	-71.2	-179.8	171.6	170.7	0	110.9	L452 N461 D462	L452-K454 HydrophobicContact CD2-CG 4.48Å; L452-K454 PolarHBondContact O-N 3.38Å; K454-N461 PolarHBondContact O-N 3.23Å; K454-N461 VanDerWaalsContact O-N 3.13Å; K454-D462 WeakPolarHBondContact CA-O 3.43Å; K454-D462 HydrophobicContact CB-CB 4.19Å; K454-D462 WeakPolarHBondContact CB-O 3.39Å; K454-D462 HydrophobicContact CD-CB 4.29Å; K454-D462 PolarHBondContact N-O 3.21Å
455	M	69.5	Low	82.4	Confident	40 Å²	40	43.4 Å²	43.4	20%	0.197	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.6	173.4	-77.7	-87.8	-151.7	0	0	109.2	I306 N307 L460	I306-M455 HydrophobicContact CB-CE 3.45Å; I306-M455 VanDerWaalsContact CB-CE 3.45Å; I306-M455 HydrophobicContact CG2-CE 3.13Å; I306-M455 WeakPolarHBondContact O-CE 3.4Å; N307-M455 HydrophobicContact CB-CE 3.49Å; N307-M455 VanDerWaalsContact CB-CE 3.49Å; N307-M455 HydrophobicContact CB-SD 3.92Å; N307-M455 WeakPolarHBondContact ND2-CB 3.35Å; N307-M455 WeakPolarHBondContact ND2-CG 3.34Å; N307-M455 PolarHBondContact ND2-SD 2.85Å; M455-L460 HydrophobicContact CE-CD1 3.66Å; M455-L460 HydrophobicContact CE-CD2 3.71Å; M455-L460 HydrophobicContact CE-CG 3.72Å; M455-L460 HydrophobicContact CG-CD2 3.53Å; M455-L460 HydrophobicContact CG-CG 4.15Å; M455-L460 HydrophobicContact SD-CB 4.48Å; M455-L460 HydrophobicContact SD-CD1 3.92Å; M455-L460 HydrophobicContact SD-CD2 3.41Å; M455-L460 WeakPolarHBondContact SD-CD2 3.36Å; M455-L460 HydrophobicContact SD-CG 3.34Å; M455-L460 WeakPolarHBondContact SD-CG 3.44Å
456	N	61.8	Low	82.4	Confident	100 Å²	100	37.8 Å²	37.8	54%	0.535	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.1	172.1	-149.7	-14.6	0	0	0	110.3	G458 F459 N461	N456-G458 VanDerWaalsContact C-N 3.29Å; N456-G458 PolarHBondContact O-N 3.32Å; N456-F459 PolarHBondContact N-O 3Å; N456-F459 PolarHBondContact O-N 2.89Å; N456-F459 VanDerWaalsContact O-N 3.09Å; N456-F459 VanDerWaalsContact O-O 3.05Å; N456-N461 WeakPolarHBondContact CB-ND2 3.02Å; N456-N461 PolarHBondContact O-ND2 2.76Å
457	K	56.8	Low	82.5	Confident	195 Å²	195	38.1 Å²	38.1	85%	0.848	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	40	-179.1	-58.2	-177.8	179.6	179.3	0	114.7	F459	K457-F459 WeakPolarHBondContact O-CD2 3.28Å; K457-F459 PolarHBondContact O-N 2.83Å
458	G	51.6	Low	82.5	Confident	33 Å²	33	39 Å²	39	34%	0.34	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	5.3	178.8	0	0	0	0	0	115.3	N456	N456-G458 VanDerWaalsContact C-N 3.29Å; N456-G458 PolarHBondContact O-N 3.32Å
459	F	52.7	Low	82.4	Confident	123 Å²	123	38.9 Å²	38.9	54%	0.539	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138	171.3	-65.1	-82.5	0	0	0	110.7	N456 K457 N461	N456-F459 PolarHBondContact N-O 3Å; N456-F459 PolarHBondContact O-N 2.89Å; N456-F459 VanDerWaalsContact O-N 3.09Å; N456-F459 VanDerWaalsContact O-O 3.05Å; K457-F459 WeakPolarHBondContact O-CD2 3.28Å; K457-F459 PolarHBondContact O-N 2.83Å; F459-N461 PolarHBondContact O-N 2.86Å
460	L	59	Low	82.4	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.8	174.2	-75.1	138.8	0	0	0	108	I406 W411 A453 M455	I406-L460 HydrophobicContact CD1-CD1 3.9Å; I406-L460 HydrophobicContact CG2-CB 3.84Å; I406-L460 HydrophobicContact CG2-CD1 4.17Å; W411-L460 HydrophobicContact CE3-CD2 4.45Å; W411-L460 HydrophobicContact CH2-CB 3.73Å; W411-L460 HydrophobicContact CH2-CD1 3.19Å; W411-L460 HydrophobicContact CH2-CD2 3.26Å; W411-L460 HydrophobicContact CH2-CG 3.43Å; W411-L460 VanDerWaalsContact CH2-CG 3.43Å; W411-L460 HydrophobicContact CZ2-CB 3.24Å; W411-L460 HydrophobicContact CZ2-CD1 3.35Å; W411-L460 HydrophobicContact CZ2-CD2 3.77Å; W411-L460 HydrophobicContact CZ2-CG 3.49Å; W411-L460 VanDerWaalsContact CZ2-CG 3.49Å; W411-L460 HydrophobicContact CZ3-CD1 4.34Å; W411-L460 HydrophobicContact CZ3-CD2 3.62Å; W411-L460 HydrophobicContact CZ3-CG 4.28Å; A453-L460 HydrophobicContact CB-CD2 4.43Å; M455-L460 HydrophobicContact CE-CD1 3.66Å; M455-L460 HydrophobicContact CE-CD2 3.71Å; M455-L460 HydrophobicContact CE-CG 3.72Å; M455-L460 HydrophobicContact CG-CD2 3.53Å; M455-L460 HydrophobicContact CG-CG 4.15Å; M455-L460 HydrophobicContact SD-CB 4.48Å; M455-L460 HydrophobicContact SD-CD1 3.92Å; M455-L460 HydrophobicContact SD-CD2 3.41Å; M455-L460 WeakPolarHBondContact SD-CD2 3.36Å; M455-L460 HydrophobicContact SD-CG 3.34Å; M455-L460 WeakPolarHBondContact SD-CG 3.44Å
461	N	65.6	Low	82.3	Confident	70 Å²	70	41.9 Å²	41.9	37%	0.374	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-33	-167.2	-72.1	-23.7	0	0	0	112.7	R409 K454 N456 F459	R409-N461 PolarHBondContact NH2-O 2.78Å; K454-N461 PolarHBondContact O-N 3.23Å; K454-N461 VanDerWaalsContact O-N 3.13Å; N456-N461 WeakPolarHBondContact CB-ND2 3.02Å; N456-N461 PolarHBondContact O-ND2 2.76Å; F459-N461 PolarHBondContact O-N 2.86Å
462	D	76.7	Confident	82.2	Confident	89 Å²	89	42.1 Å²	42.1	48%	0.476	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	168.4	-169.5	-162	16	0	0	0	112	K454	K454-D462 WeakPolarHBondContact CA-O 3.43Å; K454-D462 HydrophobicContact CB-CB 4.19Å; K454-D462 WeakPolarHBondContact CB-O 3.39Å; K454-D462 HydrophobicContact CD-CB 4.29Å; K454-D462 PolarHBondContact N-O 3.21Å
463	S	91.1	Very high	82.1	Confident	20 Å²	20	42.3 Å²	42.3	14%	0.14	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.4	169.5	75.1	0	0	0	0	110.7	W411 L452	W411-S463 VanDerWaalsContact O-CB 3.27Å; W411-S463 WeakPolarHBondContact O-CB 3.26Å; W411-S463 PolarHBondContact O-OG 2.9Å; L452-S463 CarbonylContact O-C 3.52Å; L452-S463 WeakPolarHBondContact O-CA 3.07Å
464	L	94.3	Very high	82.1	Confident	29 Å²	29	44.6 Å²	44.6	15%	0.152	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.8	175.6	177.5	71.3	0	0	0	109.7	I27 F451 L452 L466 R529	I27-L464 HydrophobicContact CD1-CD1 4.18Å; I27-L464 HydrophobicContact CD1-CD2 4.04Å; I27-L464 HydrophobicContact CD1-CG 4.13Å; F451-L464 CarbonylContact C-O 3.59Å; F451-L464 WeakPolarHBondContact CA-O 3.47Å; F451-L464 VanDerWaalsContact CB-O 3.29Å; F451-L464 WeakPolarHBondContact CB-O 3.43Å; L452-L464 HydrophobicContact CB-CB 4.26Å; L452-L464 HydrophobicContact CD2-CD2 4.45Å; L452-L464 PolarHBondContact N-O 2.86Å; L452-L464 PolarHBondContact O-N 3.22Å; L464-L466 HydrophobicContact CD2-CD2 3.75Å; L464-L466 HydrophobicContact CG-CD2 4.06Å; L464-L466 PolarHBondContact O-N 2.85Å; L464-L466 VanDerWaalsContact O-N 3.14Å; L464-R529 HydrophobicContact CD2-CB 4.05Å; L464-R529 VanDerWaalsContact CD2-CZ 3.46Å; L464-R529 VanDerWaalsContact CD2-NE 3.34Å
465	F	97	Very high	82.4	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	101.6	179.5	-167.6	-167.8	0	0	0	110.5	S24 P26 I27 F412 L449 K450 E467 E468	S24-F465 VanDerWaalsContact O-CD1 3.32Å; S24-F465 WeakPolarHBondContact O-CD1 3.25Å; P26-F465 HydrophobicContact CB-CD1 3.69Å; P26-F465 HydrophobicContact CB-CD2 4.08Å; P26-F465 HydrophobicContact CB-CE1 3.59Å; P26-F465 HydrophobicContact CB-CE2 3.98Å; P26-F465 HydrophobicContact CB-CG 3.95Å; P26-F465 HydrophobicContact CB-CZ 3.74Å; P26-F465 HydrophobicContact CG-CD1 4.28Å; P26-F465 HydrophobicContact CG-CE1 3.85Å; P26-F465 HydrophobicContact CG-CZ 4.17Å; P26-F465 VanDerWaalsContact N-CD1 3.32Å; I27-F465 PolarHBondContact N-O 3.2Å; F412-F465 HydrophobicContact CE2-CB 4.03Å; F412-F465 HydrophobicContact CE2-CD1 4.27Å; F412-F465 HydrophobicContact CE2-CD2 4.04Å; F412-F465 AromaticContact CE2-CG 3.86Å; F412-F465 HydrophobicContact CE2-CG 3.86Å; F412-F465 HydrophobicContact CZ-CD1 4.15Å; F412-F465 HydrophobicContact CZ-CD2 4.05Å; F412-F465 HydrophobicContact CZ-CE1 4.26Å; F412-F465 HydrophobicContact CZ-CE2 4.17Å; F412-F465 HydrophobicContact CZ-CG 4.05Å; F412-F465 HydrophobicContact CZ-CZ 4.26Å; L449-F465 HydrophobicContact CB-CE2 3.8Å; L449-F465 HydrophobicContact CB-CZ 4.21Å; L449-F465 HydrophobicContact CD2-CE1 4.45Å; L449-F465 HydrophobicContact CD2-CE2 4.07Å; L449-F465 HydrophobicContact CD2-CZ 3.68Å; L449-F465 HydrophobicContact CG-CE2 3.94Å; L449-F465 HydrophobicContact CG-CZ 3.82Å; K450-F465 WeakPolarHBondContact O-CD2 3.4Å; F465-E467 VanDerWaalsContact CE2-O 3.32Å; F465-E467 WeakPolarHBondContact CE2-O 3.34Å; F465-E468 HydrophobicContact CE2-CB 4.4Å; F465-E468 HydrophobicContact CZ-CB 3.91Å; F465-E468 HydrophobicContact CZ-CG 4.48Å
466	L	97.6	Very high	83.4	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-49.6	-174.3	-62.3	178.1	0	0	0	111.5	I27 S28 K450 L452 L464 R529	I27-L466 WeakPolarHBondContact CB-O 3.43Å; I27-L466 HydrophobicContact CD1-CD2 4.11Å; I27-L466 PolarHBondContact N-O 3.38Å; S28-L466 PolarHBondContact N-O 2.67Å; S28-L466 PolarHBondContact OG-O 3.38Å; K450-L466 HydrophobicContact CD-CB 4.42Å; K450-L466 HydrophobicContact CD-CD1 4.37Å; K450-L466 HydrophobicContact CG-CB 4.31Å; K450-L466 HydrophobicContact CG-CD1 4.27Å; K450-L466 WeakPolarHBondContact O-CB 3.34Å; K450-L466 PolarHBondContact O-N 3.06Å; L452-L466 HydrophobicContact CB-CD1 4.02Å; L452-L466 HydrophobicContact CB-CD2 4.35Å; L452-L466 HydrophobicContact CB-CG 4.19Å; L464-L466 HydrophobicContact CD2-CD2 3.75Å; L464-L466 HydrophobicContact CG-CD2 4.06Å; L464-L466 PolarHBondContact O-N 2.85Å; L464-L466 VanDerWaalsContact O-N 3.14Å; L466-R529 HydrophobicContact CD2-CB 4.36Å
467	E	97.8	Very high	84.7	Confident	7 Å²	7	43.5 Å²	43.5	3%	0.033	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	140.2	-169.8	-169.5	176.8	-166.5	0	0	113.8	S28 S30 K450 F465 L469 R514	S28-E467 VanDerWaalsContact O-CA 3.27Å; S28-E467 WeakPolarHBondContact O-CA 3.41Å; S28-E467 WeakPolarHBondContact OG-CB 3.48Å; S28-E467 VanDerWaalsContact OG-CG 3.28Å; S28-E467 WeakPolarHBondContact OG-CG 3.48Å; S30-E467 WeakPolarHBondContact CB-OE1 3.05Å; S30-E467 PolarHBondContact OG-OE1 2.85Å; K450-E467 HydrophobicContact CB-CB 4.19Å; K450-E467 HydrophobicContact CD-CB 4.38Å; K450-E467 PolarHBondContact N-O 3.07Å; K450-E467 PolarHBondContact O-N 3.19Å; K450-E467 VanDerWaalsContact O-N 3.11Å; F465-E467 VanDerWaalsContact CE2-O 3.32Å; F465-E467 WeakPolarHBondContact CE2-O 3.34Å; E467-L469 HydrophobicContact CB-CD1 4.17Å; E467-L469 HydrophobicContact CG-CD1 3.72Å; E467-L469 HydrophobicContact CG-CD2 4.43Å; E467-L469 HydrophobicContact CG-CG 3.84Å; E467-R514 WeakPolarHBondContact OE1-CD 3.3Å; E467-R514 IonicContact OE1-CZ 3.36Å; E467-R514 IonicContact OE1-NE 3.49Å; E467-R514 PolarHBondContact OE1-NE 2.64Å; E467-R514 IonicContact OE2-CZ 2.64Å; E467-R514 IonicContact OE2-NE 3.72Å; E467-R514 PolarHBondContact OE2-NE 3.36Å; E467-R514 IonicContact OE2-NH2 3.46Å; E467-R514 PolarHBondContact OE2-NH2 3.1Å
468	E	98.3	Very high	86.3	Confident	43 Å²	43	35.5 Å²	35.5	20%	0.201	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.3	165.7	-170.2	177.1	107.4	0	0	110.7	P26 S28 I29 S30 Y419 I447 L449 F465	P26-E468 HydrophobicContact CB-CB 4.32Å; P26-E468 HydrophobicContact CG-CB 4.12Å; S28-E468 PolarHBondContact O-N 3.13Å; I29-E468 WeakPolarHBondContact CA-O 3.05Å; S30-E468 PolarHBondContact N-O 2.83Å; Y419-E468 PolarHBondContact OH-OE2 3.34Å; I447-E468 HydrophobicContact CG2-CG 3.46Å; I447-E468 VanDerWaalsContact CG2-CG 3.46Å; L449-E468 HydrophobicContact CG-CG 4.5Å; F465-E468 HydrophobicContact CE2-CB 4.4Å; F465-E468 HydrophobicContact CZ-CB 3.91Å; F465-E468 HydrophobicContact CZ-CG 4.48Å
469	L	97.3	Very high	87.8	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.9	-175.6	-58.7	106.7	0	0	0	111.9	S30 I447 I448 E467 V471	S30-L469 WeakPolarHBondContact O-CA 3.35Å; I447-L469 CarbonylContact C-O 3.55Å; I447-L469 WeakPolarHBondContact CA-O 3.17Å; I448-L469 HydrophobicContact CB-CB 4.32Å; I448-L469 HydrophobicContact CB-CD1 4.43Å; I448-L469 HydrophobicContact CG2-CD1 4.27Å; I448-L469 PolarHBondContact N-O 3.25Å; I448-L469 PolarHBondContact O-N 2.88Å; E467-L469 HydrophobicContact CB-CD1 4.17Å; E467-L469 HydrophobicContact CG-CD1 3.72Å; E467-L469 HydrophobicContact CG-CD2 4.43Å; E467-L469 HydrophobicContact CG-CG 3.84Å; L469-V471 HydrophobicContact CB-CG1 3.84Å
470	N	97.7	Very high	89	Confident	61 Å²	61	36.3 Å²	36.3	33%	0.326	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	108.8	164.6	-179	2.8	0	0	0	109.3	S30 T35 Y472	S30-N470 PolarHBondContact O-N 3.36Å; T35-N470 VanDerWaalsContact CB-O 3.29Å; T35-N470 WeakPolarHBondContact CB-O 3.21Å; T35-N470 VanDerWaalsContact CG2-O 3.31Å; T35-N470 WeakPolarHBondContact CG2-O 3.17Å; T35-N470 PolarHBondContact OG1-O 3.28Å; N470-Y472 PolarHBondContact OD1-N 3.25Å
471	V	97	Very high	89.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	23%	0.229	C	C	.	.			trans	-107.5	-4.4	-172.4	-55.9	0	0	0	0	114.2	G446 I448 L469 N473 V501 F503 V510	G446-V471 WeakPolarHBondContact O-CG2 3.25Å; G446-V471 PolarHBondContact O-N 2.84Å; I448-V471 HydrophobicContact CD1-CB 4.47Å; I448-V471 HydrophobicContact CD1-CG1 4.05Å; I448-V471 HydrophobicContact CD1-CG2 3.62Å; I448-V471 HydrophobicContact CG1-CG1 4.46Å; I448-V471 HydrophobicContact CG1-CG2 3.98Å; L469-V471 HydrophobicContact CB-CG1 3.84Å; V471-N473 PolarHBondContact O-N 3.31Å; V471-V501 HydrophobicContact CG2-CG1 4.08Å; V471-F503 HydrophobicContact CG2-CE2 4.36Å; V471-F503 HydrophobicContact CG2-CZ 4.01Å; V471-V510 HydrophobicContact CB-CG2 4.13Å; V471-V510 HydrophobicContact CG1-CG1 4.33Å; V471-V510 HydrophobicContact CG1-CG2 3.97Å
472	Y	96.1	Very high	90.6	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.02	24%	0.24	C	C	.	.			trans	-69.9	126.1	174.5	-177.2	-94.5	0	0	0	109.8	N470 P474 C477 S478 E483 K485 F503	N470-Y472 PolarHBondContact OD1-N 3.25Å; Y472-P474 HydrophobicContact CD1-CG 4.09Å; Y472-P474 HydrophobicContact CE1-CB 4.35Å; Y472-P474 HydrophobicContact CE1-CG 4.09Å; Y472-P474 WeakPolarHBondContact O-CD 3.47Å; Y472-C477 HydrophobicContact CD2-CB 4.22Å; Y472-C477 HydrophobicContact CE2-CB 3.64Å; Y472-S478 PolarHBondContact OH-N 3.25Å; Y472-E483 HydrophobicContact CE1-CB 4.42Å; Y472-E483 HydrophobicContact CE1-CG 4.36Å; Y472-K485 HydrophobicContact CD1-CD 3.99Å; Y472-K485 HydrophobicContact CD1-CG 3.8Å; Y472-K485 HydrophobicContact CD2-CB 4.22Å; Y472-K485 HydrophobicContact CD2-CG 3.99Å; Y472-K485 HydrophobicContact CE1-CD 4.36Å; Y472-K485 HydrophobicContact CE1-CG 3.94Å; Y472-K485 HydrophobicContact CE2-CG 4.12Å; Y472-K485 HydrophobicContact CG-CB 4.27Å; Y472-K485 HydrophobicContact CG-CD 4.27Å; Y472-K485 HydrophobicContact CG-CG 3.81Å; Y472-F503 AromaticContact CD2-CD1 3.72Å; Y472-F503 HydrophobicContact CD2-CD1 3.72Å; Y472-F503 HydrophobicContact CD2-CD2 4.42Å; Y472-F503 AromaticContact CD2-CE1 3.7Å; Y472-F503 HydrophobicContact CD2-CE1 3.7Å; Y472-F503 HydrophobicContact CD2-CE2 4.39Å; Y472-F503 HydrophobicContact CD2-CG 4.08Å; Y472-F503 HydrophobicContact CD2-CZ 4.04Å; Y472-F503 HydrophobicContact CE2-CD1 4.32Å; Y472-F503 HydrophobicContact CG-CE1 4.4Å
473	N	92.4	Very high	91.1	Very high	6 Å²	6	41 Å²	41	3%	0.032	24%	0.238	C	C	.	.			trans	-106.3	104.8	178.6	-177.1	-25.2	0	0	0	109.9	K36 V471 D475 K476 C477	K36-N473 PolarHBondContact O-ND2 3.23Å; V471-N473 PolarHBondContact O-N 3.31Å; N473-D475 VanDerWaalsContact C-N 3.29Å; N473-D475 PolarHBondContact O-N 2.95Å; N473-D475 WeakPolarHBondContact OD1-CB 3.33Å; N473-D475 PolarHBondContact OD1-N 2.92Å; N473-K476 HydrophobicContact CB-CB 4.38Å; N473-K476 PolarHBondContact O-N 3Å; N473-K476 PolarHBondContact OD1-N 2.84Å; N473-C477 WeakPolarHBondContact O-CB 3.32Å; N473-C477 PolarHBondContact O-N 3.49Å; N473-C477 PolarHBondContact O-SG 3.47Å
474	P	92	Very high	91.2	Very high	55 Å²	55	41.9 Å²	41.9	36%	0.357	24%	0.241	S	C	.	.	H	α-helix	trans	-57.3	-38.4	179	-25.7	35.8	0	0	0	113.6	Y472 K476 S478	Y472-P474 HydrophobicContact CD1-CG 4.09Å; Y472-P474 HydrophobicContact CE1-CB 4.35Å; Y472-P474 HydrophobicContact CE1-CG 4.09Å; Y472-P474 WeakPolarHBondContact O-CD 3.47Å; P474-K476 VanDerWaalsContact C-N 3.29Å; P474-K476 PolarHBondContact O-N 3.08Å; P474-S478 WeakPolarHBondContact O-CB 3.4Å; P474-S478 PolarHBondContact O-N 2.82Å
475	D	89.2	Confident	91.3	Very high	119 Å²	119	43.7 Å²	43.7	64%	0.636	25%	0.248	S	C	*	.	H	α-helix	trans	-66.7	-31.3	-176	-54.8	-30.2	0	0	0	112.6	R53 N473	R53-D475 PolarHBondContact NH1-O 3.13Å; N473-D475 VanDerWaalsContact C-N 3.29Å; N473-D475 PolarHBondContact O-N 2.95Å; N473-D475 WeakPolarHBondContact OD1-CB 3.33Å; N473-D475 PolarHBondContact OD1-N 2.92Å
476	K	88.5	Confident	91.3	Very high	43 Å²	43	49.2 Å²	49.2	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-98.9	-36.6	-179.5	-61.8	-172.4	-171.3	175.7	0	112.7	Y38 A40 V42 R53 D88 N473 P474	Y38-K476 PolarHBondContact O-NZ 2.01Å; A40-K476 HydrophobicContact CB-CB 4.27Å; A40-K476 HydrophobicContact CB-CD 3.66Å; V42-K476 HydrophobicContact CG1-CB 4.42Å; V42-K476 WeakPolarHBondContact CG1-O 3.41Å; R53-K476 PolarHBondContact NH1-O 3.4Å; D88-K476 PolarHBondContact O-NZ 2.99Å; N473-K476 HydrophobicContact CB-CB 4.38Å; N473-K476 PolarHBondContact O-N 3Å; N473-K476 PolarHBondContact OD1-N 2.84Å; P474-K476 VanDerWaalsContact C-N 3.29Å; P474-K476 PolarHBondContact O-N 3.08Å
477	C	90.4	Very high	91.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-104.1	-17.9	-168.2	-55.9	0	0	0	0	114.3	Y472 N473 S505 C506	Y472-C477 HydrophobicContact CD2-CB 4.22Å; Y472-C477 HydrophobicContact CE2-CB 3.64Å; N473-C477 WeakPolarHBondContact O-CB 3.32Å; N473-C477 PolarHBondContact O-N 3.49Å; N473-C477 PolarHBondContact O-SG 3.47Å; C477-S505 WeakPolarHBondContact O-CB 3.34Å; C477-S505 PolarHBondContact O-OG 3.3Å; C477-C506 HydrophobicContact CB-CB 3.87Å; C477-C506 WeakPolarHBondContact CB-SG 3.46Å; C477-C506 WeakPolarHBondContact SG-CB 3.4Å; C477-C506 CovalentContact SG-SG 2.03Å; C477-C506 PolarHBondContact SG-SG 2.95Å
478	S	90.5	Very high	91.2	Very high	28 Å²	28	50.1 Å²	50.1	20%	0.196	27%	0.273	C	S	.	.			trans	-73.9	128.2	173.1	-167.2	0	0	0	0	109.8	Y472 P474	Y472-S478 PolarHBondContact OH-N 3.25Å; P474-S478 WeakPolarHBondContact O-CB 3.4Å; P474-S478 PolarHBondContact O-N 2.82Å
479	I	81.9	Confident	91.1	Very high	19 Å²	19	48.6 Å²	48.6	10%	0.097	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-120.7	125.8	177.1	-59.4	179.4	0	0	0	107.1	K55 G481 V482	K55-I479 HydrophobicContact CB-CD1 4.48Å; I479-G481 PolarHBondContact O-N 3.08Å; I479-G481 VanDerWaalsContact O-N 3.11Å; I479-V482 PolarHBondContact O-N 3.33Å
480	D	78.9	Confident	91.1	Very high	154 Å²	154	48.9 Å²	48.9	82%	0.824	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	32.3	179.6	-54.4	-35.6	0	0	0	113.8	V482	D480-V482 VanDerWaalsContact C-N 3.25Å; D480-V482 PolarHBondContact O-N 2.85Å
481	G	76.8	Confident	91.1	Very high	68 Å²	68	48.4 Å²	48.4	70%	0.701	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	3.8	-178.6	0	0	0	0	0	115.1	I479	I479-G481 PolarHBondContact O-N 3.08Å; I479-G481 VanDerWaalsContact O-N 3.11Å
482	V	80.6	Confident	91.1	Very high	102 Å²	102	49.8 Å²	49.8	62%	0.618	27%	0.273	S	S	*	.	B	Isolated β-bridge	trans	-92.9	119.2	178.1	-177.1	0	0	0	0	110.4	I479 D480	I479-V482 PolarHBondContact O-N 3.33Å; D480-V482 VanDerWaalsContact C-N 3.25Å; D480-V482 PolarHBondContact O-N 2.85Å
483	E	88.3	Confident	91	Very high	91 Å²	91	50.2 Å²	50.2	43%	0.425	28%	0.276	S	S	.	.			trans	-104.2	99.7	177.9	-60.3	-168.3	149.5	0	0	112.1	Y472 K485	Y472-E483 HydrophobicContact CE1-CB 4.42Å; Y472-E483 HydrophobicContact CE1-CG 4.36Å; E483-K485 HydrophobicContact CB-CG 4.45Å; E483-K485 WeakPolarHBondContact OE2-CE 3.49Å; E483-K485 IonicContact OE2-NZ 2.78Å; E483-K485 PolarHBondContact OE2-NZ 2.79Å
484	D	92.4	Very high	90.7	Very high	40 Å²	40	53.6 Å²	53.6	21%	0.214	30%	0.3	C	S	.	.			trans	-97.4	95.1	164.8	-169.6	-4.2	0	0	0	109.9	R486 T504	D484-R486 PolarHBondContact O-N 2.79Å; D484-R486 WeakPolarHBondContact OD1-CB 3.41Å; D484-R486 VanDerWaalsContact OD1-CG 3.27Å; D484-R486 WeakPolarHBondContact OD1-CG 3.42Å; D484-R486 IonicContact OD1-CZ 2.68Å; D484-R486 PolarHBondContact OD1-N 2.64Å; D484-R486 IonicContact OD1-NE 3.45Å; D484-R486 PolarHBondContact OD1-NE 3.5Å; D484-R486 IonicContact OD1-NH2 2.75Å; D484-R486 IonicContact OD2-CZ 3.31Å; D484-R486 IonicContact OD2-NE 2.86Å; D484-R486 PolarHBondContact OD2-NE 3.3Å; D484-R486 IonicContact OD2-NH2 2.92Å; D484-R486 PolarHBondContact OD2-NH2 2.85Å; D484-T504 WeakPolarHBondContact OD2-CG2 3.42Å
485	K	96.2	Very high	90.4	Very high	66 Å²	66	58.6 Å²	58.6	29%	0.287	32%	0.316	S	S	.	.			trans	-82	6.4	-178	-55.6	-173.7	-179.1	171	0	113.2	E444 K445 G446 Y472 E483 I487 F503	E444-K485 CarbonylContact O-C 3.57Å; K445-K485 CarbonylContact C-O 3.51Å; G446-K485 VanDerWaalsContact CA-O 3.32Å; G446-K485 WeakPolarHBondContact CA-O 3.44Å; G446-K485 PolarHBondContact N-O 2.65Å; Y472-K485 HydrophobicContact CD1-CD 3.99Å; Y472-K485 HydrophobicContact CD1-CG 3.8Å; Y472-K485 HydrophobicContact CD2-CB 4.22Å; Y472-K485 HydrophobicContact CD2-CG 3.99Å; Y472-K485 HydrophobicContact CE1-CD 4.36Å; Y472-K485 HydrophobicContact CE1-CG 3.94Å; Y472-K485 HydrophobicContact CE2-CG 4.12Å; Y472-K485 HydrophobicContact CG-CB 4.27Å; Y472-K485 HydrophobicContact CG-CD 4.27Å; Y472-K485 HydrophobicContact CG-CG 3.81Å; E483-K485 HydrophobicContact CB-CG 4.45Å; E483-K485 WeakPolarHBondContact OE2-CE 3.49Å; E483-K485 IonicContact OE2-NZ 2.78Å; E483-K485 PolarHBondContact OE2-NZ 2.79Å; K485-I487 PolarHBondContact O-N 2.95Å; K485-F503 WeakPolarHBondContact O-CE1 3.49Å
486	R	96.8	Very high	90.3	Very high	123 Å²	123	54.7 Å²	54.7	46%	0.464	30%	0.298	S	S	.	.			trans	-72.1	124.7	-178.1	-65.1	179	-58.2	140.1	6.2	110.4	E444 D484 I488	E444-R486 HydrophobicContact CB-CG 4.21Å; E444-R486 WeakPolarHBondContact O-CG 3.49Å; D484-R486 PolarHBondContact O-N 2.79Å; D484-R486 WeakPolarHBondContact OD1-CB 3.41Å; D484-R486 VanDerWaalsContact OD1-CG 3.27Å; D484-R486 WeakPolarHBondContact OD1-CG 3.42Å; D484-R486 IonicContact OD1-CZ 2.68Å; D484-R486 PolarHBondContact OD1-N 2.64Å; D484-R486 IonicContact OD1-NE 3.45Å; D484-R486 PolarHBondContact OD1-NE 3.5Å; D484-R486 IonicContact OD1-NH2 2.75Å; D484-R486 IonicContact OD2-CZ 3.31Å; D484-R486 IonicContact OD2-NE 2.86Å; D484-R486 PolarHBondContact OD2-NE 3.3Å; D484-R486 IonicContact OD2-NH2 2.92Å; D484-R486 PolarHBondContact OD2-NH2 2.85Å; R486-I488 PolarHBondContact O-N 2.76Å
487	I	98.1	Very high	90.4	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	30%	0.295	C	S	.	.			trans	-72.9	116.5	170.7	-63.3	175.7	0	0	0	108.2	R423 S443 I448 K485 M490 V501 F503	R423-I487 HydrophobicContact CB-CG2 4.39Å; R423-I487 HydrophobicContact CG-CG2 4.06Å; S443-I487 PolarHBondContact O-N 3.46Å; S443-I487 VanDerWaalsContact O-N 3.16Å; I448-I487 HydrophobicContact CD1-CD1 4.33Å; I448-I487 HydrophobicContact CG1-CD1 3.74Å; K485-I487 PolarHBondContact O-N 2.95Å; I487-M490 HydrophobicContact CG2-CG 3.69Å; I487-M490 HydrophobicContact CG2-SD 4.22Å; I487-V501 HydrophobicContact CD1-CG1 3.89Å; I487-V501 HydrophobicContact CG1-CG1 3.95Å; I487-V501 HydrophobicContact CG2-CG1 3.91Å; I487-F503 HydrophobicContact CG1-CD1 4.37Å; I487-F503 HydrophobicContact CG1-CE1 3.63Å; I487-F503 HydrophobicContact CG1-CZ 3.92Å
488	I	95.5	Very high	90.6	Very high	22 Å²	22	53.8 Å²	53.8	11%	0.113	30%	0.296	C	S	.	.			trans	-98.4	-17.2	-177.3	59.3	161.8	0	0	0	113.1	I58 R423 R486 A502 F503 T504	I58-I488 VanDerWaalsContact C-CD1 3.4Å; I58-I488 HydrophobicContact CB-CD1 3.72Å; I58-I488 HydrophobicContact CG2-CD1 3.68Å; I58-I488 WeakPolarHBondContact O-CD1 3.4Å; R423-I488 PolarHBondContact NE-O 3.04Å; R423-I488 PolarHBondContact NH2-O 2.96Å; R486-I488 PolarHBondContact O-N 2.76Å; I488-A502 HydrophobicContact CD1-CB 4.28Å; I488-A502 HydrophobicContact CG1-CB 3.86Å; I488-A502 WeakPolarHBondContact CG1-O 3.46Å; I488-A502 PolarHBondContact N-O 2.87Å; I488-F503 WeakPolarHBondContact CD1-O 3.43Å; I488-T504 HydrophobicContact CG2-CG2 4.06Å
489	G	96.7	Very high	91	Very high	10 Å²	10	52.6 Å²	52.6	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	151.6	178.8	0	0	0	0	0	111.6	A502	G489-A502 PolarHBondContact O-N 3.25Å
490	M	98.3	Very high	91.7	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.039	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143	175.2	-66.2	-163.7	-56.5	0	0	109.5	R423 V425 F440 G442 I448 I487 L499 W500	R423-M490 HydrophobicContact CB-CE 3.68Å; R423-M490 HydrophobicContact CB-CG 4.13Å; R423-M490 HydrophobicContact CB-SD 4.44Å; R423-M490 WeakPolarHBondContact O-CE 3.23Å; V425-M490 HydrophobicContact CG1-CB 3.77Å; V425-M490 WeakPolarHBondContact CG1-O 3.45Å; V425-M490 HydrophobicContact CG2-CB 4.11Å; V425-M490 HydrophobicContact CG2-CE 3.97Å; F440-M490 WeakPolarHBondContact O-CE 3.37Å; G442-M490 VanDerWaalsContact N-CE 3.31Å; I448-M490 HydrophobicContact CD1-SD 4.28Å; I448-M490 HydrophobicContact CG1-SD 4.48Å; I487-M490 HydrophobicContact CG2-CG 3.69Å; I487-M490 HydrophobicContact CG2-SD 4.22Å; M490-L499 HydrophobicContact CB-CD1 4.24Å; M490-L499 HydrophobicContact SD-CD2 4.47Å; M490-W500 CarbonylContact C-O 3.44Å; M490-W500 VanDerWaalsContact CA-O 3.24Å; M490-W500 WeakPolarHBondContact CA-O 3.49Å
491	Q	97.5	Very high	92.6	Very high	50 Å²	50	44.3 Å²	44.3	23%	0.234	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	127.7	176	-68.2	-70.4	-72.4	0	0	110.1	I61 I63 W500	I61-Q491 HydrophobicContact CD1-CB 4.26Å; I61-Q491 HydrophobicContact CD1-CG 3.93Å; I61-Q491 HydrophobicContact CG1-CG 3.96Å; I63-Q491 HydrophobicContact CD1-CB 3.77Å; I63-Q491 HydrophobicContact CG1-CB 3.92Å; I63-Q491 HydrophobicContact CG1-CG 4.32Å; Q491-W500 HydrophobicContact CB-CB 4.35Å; Q491-W500 PolarHBondContact N-O 3.44Å; Q491-W500 PolarHBondContact O-N 3.5Å
492	I	96.3	Very high	93.6	Very high	31 Å²	31	41.1 Å²	41.1	16%	0.159	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.3	172.9	-64.7	174.2	0	0	0	108.5	V425 V426 D427 F440 L499 L512	V425-I492 HydrophobicContact CB-CD1 3.87Å; V425-I492 HydrophobicContact CB-CG1 3.94Å; V425-I492 HydrophobicContact CG2-CD1 3.74Å; V425-I492 HydrophobicContact CG2-CG1 3.64Å; V426-I492 VanDerWaalsContact C-CD1 3.45Å; D427-I492 HydrophobicContact CB-CD1 4.08Å; F440-I492 HydrophobicContact CD2-CD1 4.02Å; F440-I492 HydrophobicContact CE2-CD1 4.3Å; I492-L499 HydrophobicContact CG1-CD1 3.88Å; I492-L512 HydrophobicContact CG2-CD1 4.16Å; I492-L512 HydrophobicContact CG2-CD2 4.36Å
493	D	93.8	Very high	94.4	Very high	14 Å²	14	36.2 Å²	36.2	8%	0.075	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	90.8	167.3	-179.2	1.9	0	0	0	109	I63 T82 K495 S496 N497 A498	I63-D493 HydrophobicContact CD1-CB 3.83Å; T82-D493 WeakPolarHBondContact CB-OD2 3.26Å; D493-K495 PolarHBondContact O-N 2.93Å; D493-K495 WeakPolarHBondContact OD1-CB 3.5Å; D493-K495 PolarHBondContact OD1-N 2.81Å; D493-K495 VanDerWaalsContact OD1-N 3.11Å; D493-S496 WeakPolarHBondContact CB-OG 3.15Å; D493-S496 PolarHBondContact O-N 2.92Å; D493-S496 PolarHBondContact OD1-N 2.88Å; D493-S496 VanDerWaalsContact OD2-CB 3.23Å; D493-S496 WeakPolarHBondContact OD2-CB 3.42Å; D493-S496 PolarHBondContact OD2-OG 2.65Å; D493-N497 WeakPolarHBondContact O-CA 3.22Å; D493-N497 PolarHBondContact O-N 2.86Å; D493-A498 PolarHBondContact N-O 3.2Å; D493-A498 PolarHBondContact O-N 2.04Å; D493-A498 VanDerWaalsContact O-N 3.07Å
494	S	86.9	Confident	94.6	Very high	77 Å²	77	32.6 Å²	32.6	54%	0.538	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24	-179.4	-48.2	0	0	0	0	112.5
495	K	85.6	Confident	94.6	Very high	159 Å²	159	31.1 Å²	31.1	69%	0.691	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-40.6	179.2	-68.5	-176.9	179.3	176.4	0	112	D493 N497	D493-K495 PolarHBondContact O-N 2.93Å; D493-K495 WeakPolarHBondContact OD1-CB 3.5Å; D493-K495 PolarHBondContact OD1-N 2.81Å; D493-K495 VanDerWaalsContact OD1-N 3.11Å; K495-N497 VanDerWaalsContact C-N 3.3Å
496	S	87.5	Confident	94.5	Very high	37 Å²	37	28 Å²	28	26%	0.259	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	4.1	174.2	72.5	0	0	0	0	113.6	D493 A498	D493-S496 WeakPolarHBondContact CB-OG 3.15Å; D493-S496 PolarHBondContact O-N 2.92Å; D493-S496 PolarHBondContact OD1-N 2.88Å; D493-S496 VanDerWaalsContact OD2-CB 3.23Å; D493-S496 WeakPolarHBondContact OD2-CB 3.42Å; D493-S496 PolarHBondContact OD2-OG 2.65Å; S496-A498 PolarHBondContact O-N 2.94Å
497	N	90.4	Very high	94.5	Very high	23 Å²	23	22.1 Å²	22.1	12%	0.123	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	44.2	-174.4	-163.2	54.2	0	0	0	112.6	D493 K495 L512 Q543	D493-N497 WeakPolarHBondContact O-CA 3.22Å; D493-N497 PolarHBondContact O-N 2.86Å; K495-N497 VanDerWaalsContact C-N 3.3Å; N497-L512 PolarHBondContact O-N 2.72Å; N497-L512 WeakPolarHBondContact OD1-CD1 3.31Å; N497-Q543 PolarHBondContact ND2-NE2 3.31Å; N497-Q543 PolarHBondContact ND2-OE1 3.4Å
498	A	94.5	Very high	94.4	Very high	2 Å²	2	22 Å²	22	2%	0.017	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.6	-174.9	0	0	0	0	0	112.9	D493 S496 K509 V510	D493-A498 PolarHBondContact N-O 3.2Å; D493-A498 PolarHBondContact O-N 2.04Å; D493-A498 VanDerWaalsContact O-N 3.07Å; S496-A498 PolarHBondContact O-N 2.94Å; A498-K509 HydrophobicContact CB-CD 4.4Å; A498-K509 HydrophobicContact CB-CG 3.79Å; A498-V510 CarbonylContact C-O 3.5Å; A498-V510 WeakPolarHBondContact CA-O 3.31Å
499	L	97.6	Very high	94.5	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.1	167.6	176.5	65.6	0	0	0	108.7	V425 F440 I448 M490 I492 V501 V510 L512	V425-L499 HydrophobicContact CG2-CD1 3.6Å; F440-L499 HydrophobicContact CB-CD2 4.1Å; F440-L499 HydrophobicContact CD1-CD2 3.82Å; F440-L499 HydrophobicContact CE1-CD2 4.45Å; F440-L499 HydrophobicContact CG-CD2 4.03Å; I448-L499 HydrophobicContact CD1-CD2 3.88Å; I448-L499 HydrophobicContact CG2-CD2 4.35Å; M490-L499 HydrophobicContact CB-CD1 4.24Å; M490-L499 HydrophobicContact SD-CD2 4.47Å; I492-L499 HydrophobicContact CG1-CD1 3.88Å; L499-V501 HydrophobicContact CD2-CG2 4.11Å; L499-V501 HydrophobicContact CG-CG2 3.89Å; L499-V510 HydrophobicContact CB-CB 4.35Å; L499-V510 PolarHBondContact N-O 3.35Å; L499-V510 WeakPolarHBondContact O-CB 3.38Å; L499-V510 PolarHBondContact O-N 3.37Å; L499-L512 HydrophobicContact CB-CD2 3.83Å
500	W	97.7	Very high	94.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	124.1	173.9	-66	89.1	0	0	0	109.9	I61 I63 L68 V80 T82 A85 I90 M490 Q491 V507 K509	I61-W500 HydrophobicContact CD1-CB 4.06Å; I63-W500 HydrophobicContact CD1-CG 4.4Å; L68-W500 HydrophobicContact CD1-CB 4.43Å; L68-W500 HydrophobicContact CD1-CG 4.37Å; L68-W500 HydrophobicContact CD2-CD2 3.69Å; L68-W500 HydrophobicContact CD2-CE3 3.37Å; L68-W500 HydrophobicContact CD2-CG 4.28Å; L68-W500 HydrophobicContact CD2-CH2 4.13Å; L68-W500 HydrophobicContact CD2-CZ2 4.45Å; L68-W500 HydrophobicContact CD2-CZ3 3.58Å; V80-W500 HydrophobicContact CG1-CH2 4.18Å; T82-W500 HydrophobicContact CG2-CZ2 4.12Å; A85-W500 HydrophobicContact CB-CH2 3.83Å; A85-W500 HydrophobicContact CB-CZ2 4.39Å; I90-W500 HydrophobicContact CD1-CH2 3.78Å; I90-W500 HydrophobicContact CD1-CZ3 3.43Å; I90-W500 VanDerWaalsContact CD1-CZ3 3.43Å; I90-W500 HydrophobicContact CG2-CH2 4.45Å; I90-W500 HydrophobicContact CG2-CZ3 4.47Å; M490-W500 CarbonylContact C-O 3.44Å; M490-W500 VanDerWaalsContact CA-O 3.24Å; M490-W500 WeakPolarHBondContact CA-O 3.49Å; Q491-W500 HydrophobicContact CB-CB 4.35Å; Q491-W500 PolarHBondContact N-O 3.44Å; Q491-W500 PolarHBondContact O-N 3.5Å; W500-V507 HydrophobicContact CB-CG1 4.47Å; W500-V507 HydrophobicContact CE3-CG1 3.98Å; W500-K509 HydrophobicContact CD2-CB 4.4Å; W500-K509 HydrophobicContact CD2-CG 4.42Å; W500-K509 HydrophobicContact CE3-CB 4.02Å; W500-K509 HydrophobicContact CE3-CG 4.49Å; W500-K509 HydrophobicContact CH2-CB 4.16Å; W500-K509 HydrophobicContact CH2-CD 3.89Å; W500-K509 HydrophobicContact CH2-CG 4.23Å; W500-K509 HydrophobicContact CZ2-CB 4.47Å; W500-K509 HydrophobicContact CZ2-CD 3.78Å; W500-K509 HydrophobicContact CZ2-CG 4.08Å; W500-K509 HydrophobicContact CZ3-CB 3.93Å; W500-K509 HydrophobicContact CZ3-CG 4.42Å
501	V	98.3	Very high	94.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.8	-173.3	-173.8	0	0	0	0	109.1	I448 V471 I487 L499 F503 V507 V508 V510	I448-V501 HydrophobicContact CD1-CB 4.37Å; I448-V501 HydrophobicContact CD1-CG1 4.06Å; I448-V501 HydrophobicContact CD1-CG2 3.41Å; I448-V501 VanDerWaalsContact CD1-CG2 3.41Å; V471-V501 HydrophobicContact CG2-CG1 4.08Å; I487-V501 HydrophobicContact CD1-CG1 3.89Å; I487-V501 HydrophobicContact CG1-CG1 3.95Å; I487-V501 HydrophobicContact CG2-CG1 3.91Å; L499-V501 HydrophobicContact CD2-CG2 4.11Å; L499-V501 HydrophobicContact CG-CG2 3.89Å; V501-F503 HydrophobicContact CG1-CE2 3.95Å; V501-F503 HydrophobicContact CG1-CZ 4.14Å; V501-V507 CarbonylContact O-C 3.52Å; V501-V507 WeakPolarHBondContact O-CA 3.36Å; V501-V508 PolarHBondContact N-O 3.26Å; V501-V508 PolarHBondContact O-N 3.11Å; V501-V510 HydrophobicContact CG2-CB 4.46Å; V501-V510 HydrophobicContact CG2-CG2 3.77Å
502	A	97.4	Very high	94.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131.5	-179.8	0	0	0	0	0	111.8	I58 I61 I488 G489 V507	I58-A502 HydrophobicContact CG2-CB 4.4Å; I61-A502 HydrophobicContact CB-CB 4.42Å; I61-A502 HydrophobicContact CD1-CB 3.82Å; I61-A502 HydrophobicContact CG1-CB 3.84Å; I61-A502 HydrophobicContact CG2-CB 3.71Å; I488-A502 HydrophobicContact CD1-CB 4.28Å; I488-A502 HydrophobicContact CG1-CB 3.86Å; I488-A502 WeakPolarHBondContact CG1-O 3.46Å; I488-A502 PolarHBondContact N-O 2.87Å; G489-A502 PolarHBondContact O-N 3.25Å; A502-V507 HydrophobicContact CB-CG2 4.19Å
503	F	96	Very high	94.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.			trans	-108.9	174.5	163.1	-61.1	-85.3	0	0	0	108.8	I58 V471 Y472 K485 I487 I488 V501 S505 C506 V508	I58-F503 WeakPolarHBondContact CB-O 3.28Å; V471-F503 HydrophobicContact CG2-CE2 4.36Å; V471-F503 HydrophobicContact CG2-CZ 4.01Å; Y472-F503 AromaticContact CD2-CD1 3.72Å; Y472-F503 HydrophobicContact CD2-CD1 3.72Å; Y472-F503 HydrophobicContact CD2-CD2 4.42Å; Y472-F503 AromaticContact CD2-CE1 3.7Å; Y472-F503 HydrophobicContact CD2-CE1 3.7Å; Y472-F503 HydrophobicContact CD2-CE2 4.39Å; Y472-F503 HydrophobicContact CD2-CG 4.08Å; Y472-F503 HydrophobicContact CD2-CZ 4.04Å; Y472-F503 HydrophobicContact CE2-CD1 4.32Å; Y472-F503 HydrophobicContact CG-CE1 4.4Å; K485-F503 WeakPolarHBondContact O-CE1 3.49Å; I487-F503 HydrophobicContact CG1-CD1 4.37Å; I487-F503 HydrophobicContact CG1-CE1 3.63Å; I487-F503 HydrophobicContact CG1-CZ 3.92Å; I488-F503 WeakPolarHBondContact CD1-O 3.43Å; V501-F503 HydrophobicContact CG1-CE2 3.95Å; V501-F503 HydrophobicContact CG1-CZ 4.14Å; F503-S505 PolarHBondContact O-N 2.96Å; F503-C506 PolarHBondContact N-O 3.04Å; F503-V508 HydrophobicContact CD2-CG2 4.3Å; F503-V508 HydrophobicContact CE2-CG2 4.01Å
504	T	92.9	Very high	94.3	Very high	15 Å²	15	19.3 Å²	19.3	9%	0.092	11%	0.108	C	C	.	.	S	Bend	trans	-65.2	-24.8	177.4	54.9	0	0	0	0	113	D57 I58 D484 I488	D57-T504 CarbonylContact C-O 3.54Å; D57-T504 WeakPolarHBondContact CA-O 3.31Å; D57-T504 PolarHBondContact N-O 2.73Å; I58-T504 PolarHBondContact N-O 3.21Å; D484-T504 WeakPolarHBondContact OD2-CG2 3.42Å; I488-T504 HydrophobicContact CG2-CG2 4.06Å
505	S	92.4	Very high	94.7	Very high	8 Å²	8	15.7 Å²	15.7	6%	0.056	8%	0.082	C	C	.	.	S	Bend	trans	-111.3	-15.9	-173.2	50	0	0	0	0	114.8	L56 C477 F503	L56-S505 WeakPolarHBondContact CD1-O 2.99Å; C477-S505 WeakPolarHBondContact O-CB 3.34Å; C477-S505 PolarHBondContact O-OG 3.3Å; F503-S505 PolarHBondContact O-N 2.96Å
506	C	94.1	Very high	95	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.			trans	-156.5	164.9	-173.7	71.2	0	0	0	0	111.5	F41 V42 C477 F503	F41-C506 VanDerWaalsContact O-CA 3.23Å; F41-C506 WeakPolarHBondContact O-CA 3.39Å; F41-C506 WeakPolarHBondContact O-CB 3.03Å; V42-C506 HydrophobicContact CG1-CB 4.28Å; C477-C506 HydrophobicContact CB-CB 3.87Å; C477-C506 WeakPolarHBondContact CB-SG 3.46Å; C477-C506 WeakPolarHBondContact SG-CB 3.4Å; C477-C506 CovalentContact SG-SG 2.03Å; C477-C506 PolarHBondContact SG-SG 2.95Å; F503-C506 PolarHBondContact N-O 3.04Å
507	V	96.3	Very high	95.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.2	167.1	-171.3	0	0	0	0	109.2	A40 F41 I58 I61 L68 I70 W500 V501 A502	A40-V507 CarbonylContact C-O 3.39Å; A40-V507 VanDerWaalsContact CA-O 3.26Å; A40-V507 WeakPolarHBondContact CA-O 3.46Å; F41-V507 HydrophobicContact CB-CB 4.17Å; F41-V507 HydrophobicContact CD1-CG2 4.28Å; F41-V507 PolarHBondContact N-O 3.29Å; F41-V507 PolarHBondContact O-N 3.11Å; I58-V507 HydrophobicContact CD1-CG2 3.57Å; I61-V507 HydrophobicContact CD1-CG1 4.4Å; I61-V507 HydrophobicContact CG2-CG2 4.05Å; L68-V507 HydrophobicContact CD2-CG1 4.4Å; I70-V507 HydrophobicContact CD1-CB 4.38Å; I70-V507 HydrophobicContact CD1-CG2 3.84Å; I70-V507 HydrophobicContact CG1-CG2 4.24Å; I70-V507 HydrophobicContact CG2-CG2 4.05Å; W500-V507 HydrophobicContact CB-CG1 4.47Å; W500-V507 HydrophobicContact CE3-CG1 3.98Å; V501-V507 CarbonylContact O-C 3.52Å; V501-V507 WeakPolarHBondContact O-CA 3.36Å; A502-V507 HydrophobicContact CB-CG2 4.19Å
508	V	96.7	Very high	95.4	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.018	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.1	-178.4	-174.9	0	0	0	0	109.8	A40 V501 F503 V510	A40-V508 HydrophobicContact CB-CG2 4.26Å; V501-V508 PolarHBondContact N-O 3.26Å; V501-V508 PolarHBondContact O-N 3.11Å; F503-V508 HydrophobicContact CD2-CG2 4.3Å; F503-V508 HydrophobicContact CE2-CG2 4.01Å; V508-V510 HydrophobicContact CB-CG2 4.44Å; V508-V510 HydrophobicContact CG1-CG2 3.9Å
509	K	96.8	Very high	95.3	Very high	17 Å²	17	18.1 Å²	18.1	7%	0.074	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	105.5	172.2	-176.5	-179.8	175.1	175.2	0	108.8	P39 T82 A85 N86 I90 A498 W500	P39-K509 HydrophobicContact CB-CB 4.3Å; P39-K509 PolarHBondContact O-N 2.95Å; T82-K509 PolarHBondContact O-NZ 3.34Å; A85-K509 WeakPolarHBondContact O-CD 3.36Å; A85-K509 PolarHBondContact O-NZ 2.91Å; N86-K509 PolarHBondContact OD1-NZ 3.09Å; I90-K509 HydrophobicContact CD1-CB 3.82Å; A498-K509 HydrophobicContact CB-CD 4.4Å; A498-K509 HydrophobicContact CB-CG 3.79Å; W500-K509 HydrophobicContact CD2-CB 4.4Å; W500-K509 HydrophobicContact CD2-CG 4.42Å; W500-K509 HydrophobicContact CE3-CB 4.02Å; W500-K509 HydrophobicContact CE3-CG 4.49Å; W500-K509 HydrophobicContact CH2-CB 4.16Å; W500-K509 HydrophobicContact CH2-CD 3.89Å; W500-K509 HydrophobicContact CH2-CG 4.23Å; W500-K509 HydrophobicContact CZ2-CB 4.47Å; W500-K509 HydrophobicContact CZ2-CD 3.78Å; W500-K509 HydrophobicContact CZ2-CG 4.08Å; W500-K509 HydrophobicContact CZ3-CB 3.93Å; W500-K509 HydrophobicContact CZ3-CG 4.42Å
510	V	96.9	Very high	95.1	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.4	-176.8	-178.2	0	0	0	0	109	Y38 V471 A498 L499 V501 V508	Y38-V510 HydrophobicContact CD2-CG1 4.31Å; Y38-V510 HydrophobicContact CD2-CG2 4.19Å; Y38-V510 HydrophobicContact CE2-CG1 3.93Å; V471-V510 HydrophobicContact CB-CG2 4.13Å; V471-V510 HydrophobicContact CG1-CG1 4.33Å; V471-V510 HydrophobicContact CG1-CG2 3.97Å; A498-V510 CarbonylContact C-O 3.5Å; A498-V510 WeakPolarHBondContact CA-O 3.31Å; L499-V510 HydrophobicContact CB-CB 4.35Å; L499-V510 PolarHBondContact N-O 3.35Å; L499-V510 WeakPolarHBondContact O-CB 3.38Å; L499-V510 PolarHBondContact O-N 3.37Å; V501-V510 HydrophobicContact CG2-CB 4.46Å; V501-V510 HydrophobicContact CG2-CG2 3.77Å; V508-V510 HydrophobicContact CB-CG2 4.44Å; V508-V510 HydrophobicContact CG1-CG2 3.9Å
511	P	95.9	Very high	95	Very high	46 Å²	46	29.4 Å²	29.4	30%	0.299	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	141.1	172.8	-25.6	35.5	0	0	0	111.8	Y38 S513 R514	Y38-P511 HydrophobicContact CD1-CG 4.39Å; Y38-P511 HydrophobicContact CE1-CG 3.98Å; P511-S513 WeakPolarHBondContact CB-O 3.44Å; P511-S513 PolarHBondContact O-N 3.11Å; P511-R514 PolarHBondContact O-NH1 2.86Å
512	L	95.9	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-65.2	-24	178.1	-69.3	178.6	0	0	0	112.7	F440 K450 I492 N497 L499 Y532	F440-L512 HydrophobicContact CE1-CD2 4.33Å; F440-L512 HydrophobicContact CE2-CD2 3.85Å; F440-L512 HydrophobicContact CZ-CB 4.45Å; F440-L512 HydrophobicContact CZ-CD2 3.62Å; K450-L512 PolarHBondContact NZ-O 2.87Å; I492-L512 HydrophobicContact CG2-CD1 4.16Å; I492-L512 HydrophobicContact CG2-CD2 4.36Å; N497-L512 PolarHBondContact O-N 2.72Å; N497-L512 WeakPolarHBondContact OD1-CD1 3.31Å; L499-L512 HydrophobicContact CB-CD2 3.83Å; L512-Y532 HydrophobicContact CB-CD2 4.44Å; L512-Y532 HydrophobicContact CB-CE2 4.17Å; L512-Y532 HydrophobicContact CD1-CE1 4.46Å
513	S	95	Very high	94.8	Very high	4 Å²	4	35 Å²	35	3%	0.028	16%	0.163	C	C	.	.			trans	-139.1	161.8	179.2	69	0	0	0	0	112.2	P511 C515 Y532	P511-S513 WeakPolarHBondContact CB-O 3.44Å; P511-S513 PolarHBondContact O-N 3.11Å; S513-C515 VanDerWaalsContact CB-SG 3.58Å; S513-C515 PolarHBondContact OG-SG 3.35Å; S513-Y532 VanDerWaalsContact CB-CB 3.42Å
514	R	95.1	Very high	94.7	Very high	10 Å²	10	37 Å²	37	4%	0.038	18%	0.177	C	C	.	.			trans	-127.4	43.2	179.1	-77.7	145.7	-79.9	-80.5	0.5	110.7	Y34 Y38 E467 P511 E516 R517	Y34-R514 HydrophobicContact CE1-CG 3.88Å; Y38-R514 WeakPolarHBondContact OH-CD 3.41Å; E467-R514 WeakPolarHBondContact OE1-CD 3.3Å; E467-R514 IonicContact OE1-CZ 3.36Å; E467-R514 IonicContact OE1-NE 3.49Å; E467-R514 PolarHBondContact OE1-NE 2.64Å; E467-R514 IonicContact OE2-CZ 2.64Å; E467-R514 IonicContact OE2-NE 3.72Å; E467-R514 PolarHBondContact OE2-NE 3.36Å; E467-R514 IonicContact OE2-NH2 3.46Å; E467-R514 PolarHBondContact OE2-NH2 3.1Å; P511-R514 PolarHBondContact O-NH1 2.86Å; R514-E516 VanDerWaalsContact C-N 3.27Å; R514-E516 PolarHBondContact O-N 3.1Å; R514-R517 HydrophobicContact CB-CB 4.33Å; R514-R517 WeakPolarHBondContact O-CB 3.34Å; R514-R517 PolarHBondContact O-N 2.04Å
515	C	95.1	Very high	94.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-59.2	-39.9	-170.9	-49	0	0	0	0	112.2	S513 R517 H518 Y532 C533 C541	S513-C515 VanDerWaalsContact CB-SG 3.58Å; S513-C515 PolarHBondContact OG-SG 3.35Å; C515-R517 PolarHBondContact O-N 3.26Å; C515-R517 VanDerWaalsContact O-N 3.1Å; C515-H518 PolarHBondContact O-CD2 3.02Å; C515-H518 PolarHBondContact O-N 3.31Å; C515-Y532 PolarHBondContact SG-O 3.18Å; C515-Y532 VanDerWaalsContact SG-O 3.37Å; C515-C533 WeakPolarHBondContact CA-SG 3.39Å; C515-C533 HydrophobicContact CB-CB 3.74Å; C515-C533 WeakPolarHBondContact CB-SG 3.26Å; C515-C533 WeakPolarHBondContact SG-CA 3.42Å; C515-C533 WeakPolarHBondContact SG-CB 3.25Å; C515-C533 CovalentContact SG-SG 2.04Å; C515-C533 PolarHBondContact SG-SG 3.07Å; C515-C541 VanDerWaalsContact O-CB 3.31Å; C515-C541 WeakPolarHBondContact O-CB 3.42Å
516	E	92.9	Very high	95.1	Very high	95 Å²	95	36.3 Å²	36.3	44%	0.444	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-60.5	-22.1	178.2	-67.6	73.6	-163.6	0	0	112.9	R514 H518 G519	R514-E516 VanDerWaalsContact C-N 3.27Å; R514-E516 PolarHBondContact O-N 3.1Å; E516-H518 PolarHBondContact O-N 2.95Å; E516-G519 WeakPolarHBondContact O-CA 3.34Å; E516-G519 PolarHBondContact O-N 3.32Å
517	R	92.4	Very high	95.2	Very high	116 Å²	116	38.1 Å²	38.1	44%	0.438	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-64.6	-28.9	176.6	-174.2	173.4	174.2	165.3	-11.3	112.5	I29 S30 R514 C515 G519	I29-R517 PolarHBondContact O-NH2 3.49Å; I29-R517 VanDerWaalsContact O-NH2 3.13Å; S30-R517 PolarHBondContact OG-NH1 3.26Å; R514-R517 HydrophobicContact CB-CB 4.33Å; R514-R517 WeakPolarHBondContact O-CB 3.34Å; R514-R517 PolarHBondContact O-N 2.04Å; C515-R517 PolarHBondContact O-N 3.26Å; C515-R517 VanDerWaalsContact O-N 3.1Å; R517-G519 PolarHBondContact O-N 3.1Å
518	H	93.2	Very high	95.2	Very high	32 Å²	32	38.4 Å²	38.4	15%	0.148	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-75.7	-11.8	175.2	-53.8	-70.1	0	0	0	112.2	C515 E516 R520 C521 S524 C525 C541	C515-H518 PolarHBondContact O-CD2 3.02Å; C515-H518 PolarHBondContact O-N 3.31Å; E516-H518 PolarHBondContact O-N 2.95Å; H518-R520 PolarHBondContact O-N 3.11Å; H518-C521 PolarHBondContact O-N 3.21Å; H518-S524 PolarHBondContact ND1-O 2.72Å; H518-S524 PolarHBondContact ND1-OG 2.88Å; H518-C525 HydrophobicContact CB-CB 4.19Å; H518-C541 HydrophobicContact CB-CB 3.7Å
519	G	92.8	Very high	95.2	Very high	29 Å²	29	40 Å²	40	30%	0.299	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	-123.8	174.3	0	0	0	0	0	112.4	E516 R517 A540 C541	E516-G519 WeakPolarHBondContact O-CA 3.34Å; E516-G519 PolarHBondContact O-N 3.32Å; R517-G519 PolarHBondContact O-N 3.1Å; G519-A540 CarbonylContact O-C 3.5Å; G519-A540 WeakPolarHBondContact O-CA 3.28Å; G519-C541 PolarHBondContact O-N 2.78Å
520	R	94.3	Very high	95.2	Very high	219 Å²	219	39.7 Å²	39.7	83%	0.826	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	17.3	177.5	-59.8	-170.4	175.4	175.4	-2.2	113.4	H518 W535 G539	H518-R520 PolarHBondContact O-N 3.11Å; R520-W535 VanDerWaalsContact C-CH2 3.46Å; R520-W535 HydrophobicContact CB-CH2 4.47Å; R520-W535 VanDerWaalsContact O-CH2 3.24Å; R520-W535 WeakPolarHBondContact O-CH2 3.42Å; R520-G539 WeakPolarHBondContact CG-O 3.46Å
521	C	95	Very high	95.2	Very high	20 Å²	20	39.6 Å²	39.6	14%	0.135	19%	0.193	C	C	.	.			trans	-94.3	101	173.6	-169.3	0	0	0	0	111.8	H518 K523 S524 C525 C567	H518-C521 PolarHBondContact O-N 3.21Å; C521-K523 VanDerWaalsContact C-N 3.33Å; C521-K523 PolarHBondContact O-N 2.85Å; C521-S524 PolarHBondContact O-N 3.28Å; C521-C525 PolarHBondContact O-N 3.2Å; C521-C525 VanDerWaalsContact O-N 3.1Å; C521-C567 HydrophobicContact CB-CB 3.79Å; C521-C567 WeakPolarHBondContact CB-SG 3.28Å; C521-C567 VanDerWaalsContact SG-CA 3.51Å; C521-C567 WeakPolarHBondContact SG-CB 3.45Å; C521-C567 CovalentContact SG-SG 2.01Å; C521-C567 PolarHBondContact SG-SG 3.22Å
522	K	95.1	Very high	95.2	Very high	56 Å²	56	37.8 Å²	37.8	24%	0.243	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-43.7	177.9	-171.3	174.2	-179.3	-168.7	0	112.3	S524 C525 I526 W535 E553 L564	K522-S524 PolarHBondContact O-N 3.22Å; K522-C525 WeakPolarHBondContact O-CB 3.43Å; K522-C525 PolarHBondContact O-N 3.22Å; K522-C525 VanDerWaalsContact O-N 3.16Å; K522-I526 HydrophobicContact CG-CG1 4.22Å; K522-I526 WeakPolarHBondContact O-CG1 3.38Å; K522-I526 PolarHBondContact O-N 2.77Å; K522-W535 VanDerWaalsContact CA-CE3 3.48Å; K522-W535 HydrophobicContact CB-CD2 3.73Å; K522-W535 HydrophobicContact CB-CE3 3.82Å; K522-W535 HydrophobicContact CB-CG 4.35Å; K522-W535 HydrophobicContact CB-CH2 3.97Å; K522-W535 HydrophobicContact CB-CZ2 3.88Å; K522-W535 HydrophobicContact CB-CZ3 3.95Å; K522-W535 HydrophobicContact CD-CD2 4.12Å; K522-W535 HydrophobicContact CD-CG 3.98Å; K522-W535 HydrophobicContact CG-CB 4.28Å; K522-W535 HydrophobicContact CG-CD2 3.61Å; K522-W535 HydrophobicContact CG-CE3 4.1Å; K522-W535 HydrophobicContact CG-CG 3.69Å; K522-W535 HydrophobicContact CG-CZ2 4.45Å; K522-W535 VanDerWaalsContact N-CZ3 3.32Å; K522-E553 VanDerWaalsContact CE-CD 3.44Å; K522-E553 WeakPolarHBondContact CE-OE1 3.44Å; K522-E553 WeakPolarHBondContact CE-OE2 3.31Å; K522-E553 IonicContact NZ-OE1 3.68Å; K522-E553 PolarHBondContact NZ-OE1 2.92Å; K522-E553 IonicContact NZ-OE2 3.74Å; K522-E553 PolarHBondContact NZ-OE2 3.12Å; K522-L564 HydrophobicContact CD-CD2 3.91Å; K522-L564 HydrophobicContact CG-CD1 4.21Å; K522-L564 HydrophobicContact CG-CD2 4.36Å
523	K	95.2	Very high	95.2	Very high	62 Å²	62	37.9 Å²	37.9	27%	0.27	18%	0.182	S	C	.	.	H	α-helix	trans	-55.5	-49.2	178.4	-179.1	167.7	-176.9	174	0	112.3	C521 C525 A527 T561 L564 G565 D566	C521-K523 VanDerWaalsContact C-N 3.33Å; C521-K523 PolarHBondContact O-N 2.85Å; K523-C525 PolarHBondContact O-N 3.14Å; K523-A527 WeakPolarHBondContact O-CB 3.09Å; K523-A527 PolarHBondContact O-N 3.27Å; K523-T561 HydrophobicContact CG-CG2 3.97Å; K523-L564 HydrophobicContact CB-CB 4.13Å; K523-L564 HydrophobicContact CB-CD1 4.48Å; K523-G565 WeakPolarHBondContact CB-O 3.38Å; K523-D566 IonicContact NZ-OD1 2.67Å; K523-D566 PolarHBondContact NZ-OD1 3.28Å
524	S	95	Very high	95.3	Very high	42 Å²	42	37.7 Å²	37.7	29%	0.294	18%	0.18	S	C	.	.	H	α-helix	trans	-66	-37.4	178	-173.5	0	0	0	0	112.7	H518 C521 K522 S528	H518-S524 PolarHBondContact ND1-O 2.72Å; H518-S524 PolarHBondContact ND1-OG 2.88Å; C521-S524 PolarHBondContact O-N 3.28Å; K522-S524 PolarHBondContact O-N 3.22Å; S524-S528 PolarHBondContact O-N 3.3Å; S524-S528 VanDerWaalsContact O-N 3.09Å
525	C	96.5	Very high	95.3	Very high	2 Å²	2	39 Å²	39	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-50.3	176.6	-170.1	0	0	0	0	112	H518 C521 K522 K523 S528 G534 W535 C541	H518-C525 HydrophobicContact CB-CB 4.19Å; C521-C525 PolarHBondContact O-N 3.2Å; C521-C525 VanDerWaalsContact O-N 3.1Å; K522-C525 WeakPolarHBondContact O-CB 3.43Å; K522-C525 PolarHBondContact O-N 3.22Å; K522-C525 VanDerWaalsContact O-N 3.16Å; K523-C525 PolarHBondContact O-N 3.14Å; C525-S528 WeakPolarHBondContact O-CB 3.26Å; C525-S528 PolarHBondContact O-N 3.39Å; C525-S528 PolarHBondContact O-OG 2.82Å; C525-G534 VanDerWaalsContact SG-C 3.59Å; C525-W535 HydrophobicContact CB-CE3 4.11Å; C525-C541 HydrophobicContact CB-CB 3.54Å; C525-C541 WeakPolarHBondContact CB-SG 3.43Å; C525-C541 VanDerWaalsContact SG-CA 3.6Å; C525-C541 WeakPolarHBondContact SG-CB 3.33Å; C525-C541 CovalentContact SG-SG 2.03Å; C525-C541 PolarHBondContact SG-SG 2.73Å
526	I	96.6	Very high	95.3	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-69.5	-40.6	179.9	-58.3	-59.1	0	0	0	111.1	K522 S528 R529 W535 E553 D555 N560 L564	K522-I526 HydrophobicContact CG-CG1 4.22Å; K522-I526 WeakPolarHBondContact O-CG1 3.38Å; K522-I526 PolarHBondContact O-N 2.77Å; I526-S528 PolarHBondContact O-N 3.16Å; I526-R529 PolarHBondContact O-N 3.09Å; I526-W535 HydrophobicContact CD1-CB 4.29Å; I526-E553 HydrophobicContact CD1-CB 4.47Å; I526-E553 HydrophobicContact CD1-CG 4.17Å; I526-E553 WeakPolarHBondContact CD1-O 3.38Å; I526-D555 HydrophobicContact CG2-CB 4Å; I526-N560 VanDerWaalsContact CG2-O 3.26Å; I526-N560 WeakPolarHBondContact CG2-O 3.4Å; I526-L564 HydrophobicContact CB-CD1 4.35Å; I526-L564 HydrophobicContact CG1-CD1 4.18Å
527	A	96.3	Very high	95.1	Very high	38 Å²	38	39.2 Å²	39.2	31%	0.314	20%	0.197	S	C	.	.	H	α-helix	trans	-63.1	-22.8	176.7	0	0	0	0	0	113.8	I27 K523 R529 T561	I27-A527 WeakPolarHBondContact CG2-O 3.43Å; K523-A527 WeakPolarHBondContact O-CB 3.09Å; K523-A527 PolarHBondContact O-N 3.27Å; A527-R529 PolarHBondContact O-N 3.29Å; A527-T561 HydrophobicContact CB-CG2 3.91Å
528	S	96.4	Very high	94.8	Very high	7 Å²	7	39.5 Å²	39.5	5%	0.049	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.2	177.9	76.1	0	0	0	0	112.4	S524 C525 I526 D530	S524-S528 PolarHBondContact O-N 3.3Å; S524-S528 VanDerWaalsContact O-N 3.09Å; C525-S528 WeakPolarHBondContact O-CB 3.26Å; C525-S528 PolarHBondContact O-N 3.39Å; C525-S528 PolarHBondContact O-OG 2.82Å; I526-S528 PolarHBondContact O-N 3.16Å; S528-D530 PolarHBondContact O-N 3.26Å; S528-D530 PolarHBondContact OG-N 3.23Å
529	R	96.7	Very high	94.7	Very high	37 Å²	37	39.1 Å²	39.1	14%	0.14	21%	0.208	C	C	.	.			trans	50.7	22.3	-174.5	-58.8	178	60	168	-0.9	113.3	I27 L464 L466 I526 A527 P531 V556 E557 H558	I27-R529 HydrophobicContact CD1-CB 4.24Å; I27-R529 HydrophobicContact CD1-CG 4.47Å; L464-R529 HydrophobicContact CD2-CB 4.05Å; L464-R529 VanDerWaalsContact CD2-CZ 3.46Å; L464-R529 VanDerWaalsContact CD2-NE 3.34Å; L466-R529 HydrophobicContact CD2-CB 4.36Å; I526-R529 PolarHBondContact O-N 3.09Å; A527-R529 PolarHBondContact O-N 3.29Å; R529-P531 WeakPolarHBondContact O-CD 3.31Å; R529-V556 VanDerWaalsContact CZ-O 3.31Å; R529-V556 PolarHBondContact NE-O 3.5Å; R529-V556 PolarHBondContact NH2-O 2.9Å; R529-E557 PolarHBondContact NH2-O 3.16Å; R529-H558 PolarHBondContact NH1-O 3.38Å
530	D	97.1	Very high	94.8	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.053	20%	0.2	C	C	.	.			trans	-80	117.8	-178.3	-171.4	-11.5	0	0	0	109.1	K450 S528 Y532 C533	K450-D530 IonicContact NZ-OD1 2.67Å; K450-D530 PolarHBondContact NZ-OD1 3.01Å; K450-D530 IonicContact NZ-OD2 3.87Å; K450-D530 PolarHBondContact NZ-OD2 3.38Å; S528-D530 PolarHBondContact O-N 3.26Å; S528-D530 PolarHBondContact OG-N 3.23Å; D530-Y532 PolarHBondContact O-N 2.88Å; D530-Y532 VanDerWaalsContact OD1-CD2 3.23Å; D530-Y532 WeakPolarHBondContact OD1-CD2 3.4Å; D530-Y532 PolarHBondContact OD1-N 2.65Å; D530-C533 HydrophobicContact CB-CB 4.15Å; D530-C533 PolarHBondContact O-N 3Å
531	P	96.1	Very high	94.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.3	-177.5	-25.2	33.7	0	0	0	114.9	A430 G431 H436 V438 L452 R529 V556	A430-P531 HydrophobicContact CB-CB 4.31Å; G431-P531 WeakPolarHBondContact CA-O 3.5Å; H436-P531 HydrophobicContact CB-CB 3.87Å; H436-P531 HydrophobicContact CB-CG 3.82Å; V438-P531 HydrophobicContact CG2-CG 3.84Å; L452-P531 HydrophobicContact CD1-CG 3.76Å; R529-P531 WeakPolarHBondContact O-CD 3.31Å; P531-V556 HydrophobicContact CB-CG2 4.45Å; P531-V556 HydrophobicContact CG-CG1 4.02Å; P531-V556 HydrophobicContact CG-CG2 4.46Å
532	Y	96.4	Very high	94.9	Very high	8 Å²	8	33.5 Å²	33.5	3%	0.031	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.6	178	-56.7	-68	0	0	0	113.4	D427 A430 V438 F440 L512 S513 C515 D530 Q543 V544	D427-Y532 VanDerWaalsContact CB-OH 3.3Å; D427-Y532 WeakPolarHBondContact CB-OH 3.25Å; D427-Y532 VanDerWaalsContact CG-OH 3.29Å; D427-Y532 WeakPolarHBondContact OD2-CE1 3.29Å; D427-Y532 PolarHBondContact OD2-OH 2.93Å; A430-Y532 HydrophobicContact CB-CE1 3.7Å; A430-Y532 HydrophobicContact CB-CE2 4.44Å; V438-Y532 HydrophobicContact CB-CE2 4.28Å; V438-Y532 HydrophobicContact CG1-CE2 4.19Å; V438-Y532 HydrophobicContact CG2-CE2 4.05Å; F440-Y532 HydrophobicContact CZ-CE2 4.25Å; L512-Y532 HydrophobicContact CB-CD2 4.44Å; L512-Y532 HydrophobicContact CB-CE2 4.17Å; L512-Y532 HydrophobicContact CD1-CE1 4.46Å; S513-Y532 VanDerWaalsContact CB-CB 3.42Å; C515-Y532 PolarHBondContact SG-O 3.18Å; C515-Y532 VanDerWaalsContact SG-O 3.37Å; D530-Y532 PolarHBondContact O-N 2.88Å; D530-Y532 VanDerWaalsContact OD1-CD2 3.23Å; D530-Y532 WeakPolarHBondContact OD1-CD2 3.4Å; D530-Y532 PolarHBondContact OD1-N 2.65Å; Y532-Q543 CarbonylContact O-C 3.48Å; Y532-Q543 VanDerWaalsContact O-CA 3.28Å; Y532-Q543 WeakPolarHBondContact O-CA 3.22Å; Y532-V544 PolarHBondContact O-N 2.68Å
533	C	96.8	Very high	94.8	Very high	3 Å²	3	34 Å²	34	2%	0.02	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.6	-174.2	-60.9	0	0	0	0	112.4	C515 D530	C515-C533 WeakPolarHBondContact CA-SG 3.39Å; C515-C533 HydrophobicContact CB-CB 3.74Å; C515-C533 WeakPolarHBondContact CB-SG 3.26Å; C515-C533 WeakPolarHBondContact SG-CA 3.42Å; C515-C533 WeakPolarHBondContact SG-CB 3.25Å; C515-C533 CovalentContact SG-SG 2.04Å; C515-C533 PolarHBondContact SG-SG 3.07Å; D530-C533 HydrophobicContact CB-CB 4.15Å; D530-C533 PolarHBondContact O-N 3Å
534	G	96.1	Very high	94.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.7	174.4	0	0	0	0	0	111.7	C525 V536 R542 E553	C525-G534 VanDerWaalsContact SG-C 3.59Å; G534-V536 PolarHBondContact O-N 2.86Å; G534-R542 PolarHBondContact N-O 2.93Å; G534-R542 PolarHBondContact O-N 3.02Å; G534-E553 WeakPolarHBondContact CA-O 3.32Å
535	W	96.1	Very high	94.3	Very high	38 Å²	38	31.8 Å²	31.8	14%	0.144	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.1	172.5	-178.2	-96.3	0	0	0	109.5	R520 K522 C525 I526 G539 A540 C541 F552 E553	R520-W535 VanDerWaalsContact C-CH2 3.46Å; R520-W535 HydrophobicContact CB-CH2 4.47Å; R520-W535 VanDerWaalsContact O-CH2 3.24Å; R520-W535 WeakPolarHBondContact O-CH2 3.42Å; K522-W535 VanDerWaalsContact CA-CE3 3.48Å; K522-W535 HydrophobicContact CB-CD2 3.73Å; K522-W535 HydrophobicContact CB-CE3 3.82Å; K522-W535 HydrophobicContact CB-CG 4.35Å; K522-W535 HydrophobicContact CB-CH2 3.97Å; K522-W535 HydrophobicContact CB-CZ2 3.88Å; K522-W535 HydrophobicContact CB-CZ3 3.95Å; K522-W535 HydrophobicContact CD-CD2 4.12Å; K522-W535 HydrophobicContact CD-CG 3.98Å; K522-W535 HydrophobicContact CG-CB 4.28Å; K522-W535 HydrophobicContact CG-CD2 3.61Å; K522-W535 HydrophobicContact CG-CE3 4.1Å; K522-W535 HydrophobicContact CG-CG 3.69Å; K522-W535 HydrophobicContact CG-CZ2 4.45Å; K522-W535 VanDerWaalsContact N-CZ3 3.32Å; C525-W535 HydrophobicContact CB-CE3 4.11Å; I526-W535 HydrophobicContact CD1-CB 4.29Å; W535-G539 WeakPolarHBondContact CH2-O 3.29Å; W535-G539 VanDerWaalsContact CZ2-CA 3.45Å; W535-G539 WeakPolarHBondContact CZ2-O 3.23Å; W535-A540 VanDerWaalsContact CE3-C 3.45Å; W535-C541 HydrophobicContact CE3-CB 4.34Å; W535-F552 CarbonylContact O-C 3.54Å; W535-F552 VanDerWaalsContact O-CA 3.26Å; W535-F552 WeakPolarHBondContact O-CA 3.35Å; W535-E553 HydrophobicContact CB-CB 4.41Å; W535-E553 PolarHBondContact N-O 2.87Å; W535-E553 PolarHBondContact O-N 2.55Å
536	V	94.3	Very high	93.7	Very high	10 Å²	10	35.6 Å²	35.6	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	156.9	-177.7	-60.7	0	0	0	0	111.8	G534 E538 G539 A540 R542 F552	G534-V536 PolarHBondContact O-N 2.86Å; V536-E538 VanDerWaalsContact CB-OE2 3.24Å; V536-E538 WeakPolarHBondContact CB-OE2 3.24Å; V536-E538 HydrophobicContact CG2-CB 4.22Å; V536-E538 WeakPolarHBondContact CG2-OE2 3.25Å; V536-E538 PolarHBondContact O-N 3.05Å; V536-G539 PolarHBondContact O-N 2.91Å; V536-A540 VanDerWaalsContact CG2-O 3.29Å; V536-A540 WeakPolarHBondContact CG2-O 3.3Å; V536-A540 PolarHBondContact N-O 3.12Å; V536-R542 HydrophobicContact CG1-CB 3.99Å; V536-R542 HydrophobicContact CG1-CG 4.4Å; V536-R542 HydrophobicContact CG2-CB 4.18Å; V536-R542 HydrophobicContact CG2-CG 3.68Å; V536-F552 HydrophobicContact CG1-CB 4.16Å
537	S	88.9	Confident	93	Very high	89 Å²	89	41.8 Å²	41.8	62%	0.622	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-25.7	-178.4	54.5	0	0	0	0	115.3	G539 A551	S537-G539 PolarHBondContact O-N 3.22Å; S537-G539 VanDerWaalsContact O-N 3.15Å; S537-A551 PolarHBondContact N-O 2.92Å
538	E	87.1	Confident	92.2	Very high	121 Å²	121	41.9 Å²	41.9	57%	0.565	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	0.6	177.8	-60.9	84.6	162.9	0	0	113	V536 S550	V536-E538 VanDerWaalsContact CB-OE2 3.24Å; V536-E538 WeakPolarHBondContact CB-OE2 3.24Å; V536-E538 HydrophobicContact CG2-CB 4.22Å; V536-E538 WeakPolarHBondContact CG2-OE2 3.25Å; V536-E538 PolarHBondContact O-N 3.05Å; E538-S550 PolarHBondContact OE1-OG 3.1Å
539	G	90.7	Very high	91.4	Very high	24 Å²	24	51.4 Å²	51.4	25%	0.247	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	34.9	173.8	0	0	0	0	0	113.6	R520 W535 V536 S537	R520-G539 WeakPolarHBondContact CG-O 3.46Å; W535-G539 WeakPolarHBondContact CH2-O 3.29Å; W535-G539 VanDerWaalsContact CZ2-CA 3.45Å; W535-G539 WeakPolarHBondContact CZ2-O 3.23Å; V536-G539 PolarHBondContact O-N 2.91Å; S537-G539 PolarHBondContact O-N 3.22Å; S537-G539 VanDerWaalsContact O-N 3.15Å
540	A	94.4	Very high	90.7	Very high	16 Å²	16	51.7 Å²	51.7	13%	0.132	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.6	177.6	0	0	0	0	0	111.7	G519 W535 V536	G519-A540 CarbonylContact O-C 3.5Å; G519-A540 WeakPolarHBondContact O-CA 3.28Å; W535-A540 VanDerWaalsContact CE3-C 3.45Å; V536-A540 VanDerWaalsContact CG2-O 3.29Å; V536-A540 WeakPolarHBondContact CG2-O 3.3Å; V536-A540 PolarHBondContact N-O 3.12Å
541	C	95.9	Very high	90.4	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.1	169.5	-160.1	0	0	0	0	109.9	C515 H518 G519 C525 W535	C515-C541 VanDerWaalsContact O-CB 3.31Å; C515-C541 WeakPolarHBondContact O-CB 3.42Å; H518-C541 HydrophobicContact CB-CB 3.7Å; G519-C541 PolarHBondContact O-N 2.78Å; C525-C541 HydrophobicContact CB-CB 3.54Å; C525-C541 WeakPolarHBondContact CB-SG 3.43Å; C525-C541 VanDerWaalsContact SG-CA 3.6Å; C525-C541 WeakPolarHBondContact SG-CB 3.33Å; C525-C541 CovalentContact SG-SG 2.03Å; C525-C541 PolarHBondContact SG-SG 2.73Å; W535-C541 HydrophobicContact CE3-CB 4.34Å
542	R	95.1	Very high	90.3	Very high	133 Å²	133	57.9 Å²	57.9	50%	0.502	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160.7	-177	-67.6	-65	-168.9	151.2	3.7	110.7	G534 V536 V544	G534-R542 PolarHBondContact N-O 2.93Å; G534-R542 PolarHBondContact O-N 3.02Å; V536-R542 HydrophobicContact CG1-CB 3.99Å; V536-R542 HydrophobicContact CG1-CG 4.4Å; V536-R542 HydrophobicContact CG2-CB 4.18Å; V536-R542 HydrophobicContact CG2-CG 3.68Å; R542-V544 PolarHBondContact O-N 2.91Å
543	Q	93.7	Very high	90.2	Very high	68 Å²	68	61.8 Å²	61.8	32%	0.318	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.4	168.2	-173.7	-170.2	-41.1	0	0	110.3	N497 Y532 T545	N497-Q543 PolarHBondContact ND2-NE2 3.31Å; N497-Q543 PolarHBondContact ND2-OE1 3.4Å; Y532-Q543 CarbonylContact O-C 3.48Å; Y532-Q543 VanDerWaalsContact O-CA 3.28Å; Y532-Q543 WeakPolarHBondContact O-CA 3.22Å; Q543-T545 HydrophobicContact CG-CG2 4.41Å
544	V	92.1	Very high	90.2	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.012	34%	0.341	C	S	.	.			trans	-110.4	140.6	174.1	-66.6	0	0	0	0	110.2	P432 Y532 R542 F552	P432-V544 HydrophobicContact CG-CG2 4.25Å; Y532-V544 PolarHBondContact O-N 2.68Å; R542-V544 PolarHBondContact O-N 2.91Å; V544-F552 HydrophobicContact CB-CD2 4.45Å; V544-F552 HydrophobicContact CB-CG 4.48Å; V544-F552 HydrophobicContact CG1-CB 3.85Å; V544-F552 HydrophobicContact CG1-CD1 4.19Å; V544-F552 HydrophobicContact CG1-CD2 3.93Å; V544-F552 HydrophobicContact CG1-CG 3.71Å
545	T	87.4	Confident	90.1	Very high	55 Å²	55	65.5 Å²	65.5	34%	0.337	35%	0.351	S	S	.	.			trans	-138.2	172.1	-178.9	64.6	0	0	0	0	108.7	Q543 N547 T548	Q543-T545 HydrophobicContact CG-CG2 4.41Å; T545-N547 PolarHBondContact O-N 2.94Å; T545-N547 VanDerWaalsContact O-N 3.13Å; T545-T548 PolarHBondContact N-OG1 3.36Å; T545-T548 WeakPolarHBondContact O-CB 2.93Å; T545-T548 PolarHBondContact O-N 2.77Å; T545-T548 VanDerWaalsContact O-N 3.14Å; T545-T548 PolarHBondContact O-OG1 3.26Å; T545-T548 PolarHBondContact OG1-OG1 3.4Å
546	T	83.9	Confident	90	Very high	82 Å²	82	64 Å²	64	50%	0.503	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.7	175.7	47.7	0	0	0	0	113.8	P432 R434	P432-T546 WeakPolarHBondContact O-CG2 3.46Å; R434-T546 HydrophobicContact CG-CG2 3.65Å
547	N	80.9	Confident	89.7	Confident	135 Å²	135	68.2 Å²	68.2	72%	0.722	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	10.1	-176.2	-69.5	-23	0	0	0	113.5	T545 K549	T545-N547 PolarHBondContact O-N 2.94Å; T545-N547 VanDerWaalsContact O-N 3.13Å; N547-K549 PolarHBondContact O-N 2.81Å; N547-K549 VanDerWaalsContact O-N 3.09Å
548	T	80.7	Confident	89.8	Confident	40 Å²	40	71.1 Å²	71.1	25%	0.245	37%	0.368	C	S	.	.			trans	-64.8	112.9	178.9	-63.8	0	0	0	0	109.8	T545 F552	T545-T548 PolarHBondContact N-OG1 3.36Å; T545-T548 WeakPolarHBondContact O-CB 2.93Å; T545-T548 PolarHBondContact O-N 2.77Å; T545-T548 VanDerWaalsContact O-N 3.14Å; T545-T548 PolarHBondContact O-OG1 3.26Å; T545-T548 PolarHBondContact OG1-OG1 3.4Å; T548-F552 HydrophobicContact CG2-CD1 4.09Å
549	K	79.2	Confident	90	Very high	207 Å²	207	66 Å²	66	90%	0.9	35%	0.347	S	S	*	.			trans	-79.7	-28.7	-177.4	-65.5	-174.7	179.3	-179	0	113.6	N547	N547-K549 PolarHBondContact O-N 2.81Å; N547-K549 VanDerWaalsContact O-N 3.09Å
550	S	82.8	Confident	90.2	Very high	44 Å²	44	69 Å²	69	31%	0.308	36%	0.358	S	S	.	.	S	Bend	trans	-76.1	146.2	178.1	-55.1	0	0	0	0	110.4	E538 F552	E538-S550 PolarHBondContact OE1-OG 3.1Å; S550-F552 PolarHBondContact O-N 3.45Å
551	A	90.3	Very high	90.1	Very high	77 Å²	77	69.9 Å²	69.9	64%	0.636	36%	0.362	S	S	*	.			trans	-62.1	136.8	169.3	0	0	0	0	0	109.7	S537	S537-A551 PolarHBondContact N-O 2.92Å
552	F	94.1	Very high	89.8	Confident	62 Å²	62	76.3 Å²	76.3	27%	0.272	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.3	179.2	65.8	-91.7	0	0	0	110.8	P432 W535 V536 V544 T548 S550 Q554	P432-F552 HydrophobicContact CB-CE1 4.2Å; P432-F552 HydrophobicContact CB-CE2 4.18Å; P432-F552 HydrophobicContact CB-CZ 3.53Å; P432-F552 HydrophobicContact CG-CE2 3.61Å; P432-F552 HydrophobicContact CG-CZ 3.47Å; P432-F552 VanDerWaalsContact CG-CZ 3.47Å; W535-F552 CarbonylContact O-C 3.54Å; W535-F552 VanDerWaalsContact O-CA 3.26Å; W535-F552 WeakPolarHBondContact O-CA 3.35Å; V536-F552 HydrophobicContact CG1-CB 4.16Å; V544-F552 HydrophobicContact CB-CD2 4.45Å; V544-F552 HydrophobicContact CB-CG 4.48Å; V544-F552 HydrophobicContact CG1-CB 3.85Å; V544-F552 HydrophobicContact CG1-CD1 4.19Å; V544-F552 HydrophobicContact CG1-CD2 3.93Å; V544-F552 HydrophobicContact CG1-CG 3.71Å; T548-F552 HydrophobicContact CG2-CD1 4.09Å; S550-F552 PolarHBondContact O-N 3.45Å; F552-Q554 HydrophobicContact CD2-CG 4.27Å; F552-Q554 HydrophobicContact CE2-CG 4.06Å
553	E	94.6	Very high	89.4	Confident	90 Å²	90	74.1 Å²	74.1	42%	0.421	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.8	176.3	-172.1	-178.3	143.2	0	0	109.5	K522 I526 G534 W535	K522-E553 VanDerWaalsContact CE-CD 3.44Å; K522-E553 WeakPolarHBondContact CE-OE1 3.44Å; K522-E553 WeakPolarHBondContact CE-OE2 3.31Å; K522-E553 IonicContact NZ-OE1 3.68Å; K522-E553 PolarHBondContact NZ-OE1 2.92Å; K522-E553 IonicContact NZ-OE2 3.74Å; K522-E553 PolarHBondContact NZ-OE2 3.12Å; I526-E553 HydrophobicContact CD1-CB 4.47Å; I526-E553 HydrophobicContact CD1-CG 4.17Å; I526-E553 WeakPolarHBondContact CD1-O 3.38Å; G534-E553 WeakPolarHBondContact CA-O 3.32Å; W535-E553 HydrophobicContact CB-CB 4.41Å; W535-E553 PolarHBondContact N-O 2.87Å; W535-E553 PolarHBondContact O-N 2.55Å
554	Q	95.1	Very high	89.2	Confident	44 Å²	44	72.8 Å²	72.8	21%	0.206	41%	0.41	C	S	.	.			trans	-145.6	144.6	175	66.4	178	26.7	0	0	109.4	F552	F552-Q554 HydrophobicContact CD2-CG 4.27Å; F552-Q554 HydrophobicContact CE2-CG 4.06Å
555	D	94.4	Very high	88.7	Confident	38 Å²	38	75.6 Å²	75.6	20%	0.203	44%	0.44	C	S	.	.			trans	-131.9	83.4	171.3	-179	8.7	0	0	0	109.8	I526 E557 H558 G559 N560	I526-D555 HydrophobicContact CG2-CB 4Å; D555-E557 VanDerWaalsContact C-N 3.34Å; D555-E557 PolarHBondContact OD1-N 3.37Å; D555-H558 PolarHBondContact OD1-N 3.02Å; D555-H558 IonicContact OD1-ND1 3.01Å; D555-H558 WeakPolarHBondContact OD2-CB 3.39Å; D555-G559 VanDerWaalsContact CG-N 3.26Å; D555-G559 VanDerWaalsContact O-CA 3.26Å; D555-G559 WeakPolarHBondContact O-CA 3.28Å; D555-G559 PolarHBondContact O-N 3.22Å; D555-G559 PolarHBondContact OD1-N 3.24Å; D555-G559 PolarHBondContact OD2-N 3.31Å; D555-N560 WeakPolarHBondContact OD2-CB 3.49Å; D555-N560 PolarHBondContact OD2-N 3Å
556	V	93.5	Very high	88.7	Confident	7 Å²	7	79 Å²	79	4%	0.042	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.4	179.9	177.2	0	0	0	0	111.3	L452 R529 P531	L452-V556 HydrophobicContact CD2-CG1 3.52Å; R529-V556 VanDerWaalsContact CZ-O 3.31Å; R529-V556 PolarHBondContact NE-O 3.5Å; R529-V556 PolarHBondContact NH2-O 2.9Å; P531-V556 HydrophobicContact CB-CG2 4.45Å; P531-V556 HydrophobicContact CG-CG1 4.02Å; P531-V556 HydrophobicContact CG-CG2 4.46Å
557	E	89.4	Confident	88.8	Confident	98 Å²	98	77.9 Å²	77.9	46%	0.458	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-36.6	-170.6	-65.4	-58.6	163.8	0	0	113.5	H436 R529 D555	H436-E557 IonicContact CE1-OE1 2.69Å; H436-E557 PolarHBondContact CE1-OE1 3.15Å; R529-E557 PolarHBondContact NH2-O 3.16Å; D555-E557 VanDerWaalsContact C-N 3.34Å; D555-E557 PolarHBondContact OD1-N 3.37Å
558	H	90.3	Very high	87.9	Confident	149 Å²	149	80.1 Å²	80.1	69%	0.69	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-34.1	-178.8	-49.9	90.3	0	0	0	112.3	R529 D555	R529-H558 PolarHBondContact NH1-O 3.38Å; D555-H558 PolarHBondContact OD1-N 3.02Å; D555-H558 IonicContact OD1-ND1 3.01Å; D555-H558 WeakPolarHBondContact OD2-CB 3.39Å
559	G	92.3	Very high	86.2	Confident	13 Å²	13	84.6 Å²	84.6	13%	0.134	48%	0.479	C	S	.	.			trans	66.8	39.5	-173.1	0	0	0	0	0	112.1	D555 T561	D555-G559 VanDerWaalsContact CG-N 3.26Å; D555-G559 VanDerWaalsContact O-CA 3.26Å; D555-G559 WeakPolarHBondContact O-CA 3.28Å; D555-G559 PolarHBondContact O-N 3.22Å; D555-G559 PolarHBondContact OD1-N 3.24Å; D555-G559 PolarHBondContact OD2-N 3.31Å; G559-T561 PolarHBondContact O-N 3.49Å
560	N	93.8	Very high	84.5	Confident	87 Å²	87	80.9 Å²	80.9	47%	0.465	47%	0.474	S	S	.	.			trans	-63.8	122.6	-177	-172.7	-1.8	0	0	0	110.9	I526 D555 D562	I526-N560 VanDerWaalsContact CG2-O 3.26Å; I526-N560 WeakPolarHBondContact CG2-O 3.4Å; D555-N560 WeakPolarHBondContact OD2-CB 3.49Å; D555-N560 PolarHBondContact OD2-N 3Å; N560-D562 VanDerWaalsContact OD1-CB 3.25Å; N560-D562 WeakPolarHBondContact OD1-CB 3.37Å; N560-D562 PolarHBondContact OD1-N 2.91Å; N560-D562 PolarHBondContact OD1-OD2 2.86Å
561	T	92.5	Very high	82.2	Confident	35 Å²	35	87.4 Å²	87.4	22%	0.215	50%	0.497	C	S	.	.			trans	-117.2	12.4	177.9	57.4	0	0	0	0	113.5	K523 A527 G559 G563 L564	K523-T561 HydrophobicContact CG-CG2 3.97Å; A527-T561 HydrophobicContact CB-CG2 3.91Å; G559-T561 PolarHBondContact O-N 3.49Å; T561-G563 PolarHBondContact O-N 3.24Å; T561-L564 HydrophobicContact CG2-CD1 4.41Å; T561-L564 WeakPolarHBondContact O-CB 3.39Å; T561-L564 PolarHBondContact O-N 2.92Å
562	D	90.6	Very high	79.6	Confident	136 Å²	136	88.4 Å²	88.4	73%	0.727	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	133.3	-179.5	-66.1	-16.1	0	0	0	110.9	N560 L564	N560-D562 VanDerWaalsContact OD1-CB 3.25Å; N560-D562 WeakPolarHBondContact OD1-CB 3.37Å; N560-D562 PolarHBondContact OD1-N 2.91Å; N560-D562 PolarHBondContact OD1-OD2 2.86Å; D562-L564 PolarHBondContact O-N 2.8Å
563	G	85.6	Confident	76.7	Confident	88 Å²	88	89.8 Å²	89.8	91%	0.907	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	2.7	-179	0	0	0	0	0	115.2	T561	T561-G563 PolarHBondContact O-N 3.24Å
564	L	89.7	Confident	73.9	Confident	40 Å²	40	91.4 Å²	91.4	21%	0.209	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-84.8	139.6	171.9	-59.4	-175.7	0	0	0	111.2	K522 K523 I526 T561 D562	K522-L564 HydrophobicContact CD-CD2 3.91Å; K522-L564 HydrophobicContact CG-CD1 4.21Å; K522-L564 HydrophobicContact CG-CD2 4.36Å; K523-L564 HydrophobicContact CB-CB 4.13Å; K523-L564 HydrophobicContact CB-CD1 4.48Å; I526-L564 HydrophobicContact CB-CD1 4.35Å; I526-L564 HydrophobicContact CG1-CD1 4.18Å; T561-L564 HydrophobicContact CG2-CD1 4.41Å; T561-L564 WeakPolarHBondContact O-CB 3.39Å; T561-L564 PolarHBondContact O-N 2.92Å; D562-L564 PolarHBondContact O-N 2.8Å
565	G	82.3	Confident	70.8	Confident	61 Å²	61	99.8 Å²	99.8	63%	0.629	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-64.9	149.2	173.9	0	0	0	0	0	112.6	K523	K523-G565 WeakPolarHBondContact CB-O 3.38Å
566	D	87.7	Confident	69.7	Low	126 Å²	126	102.9 Å²	102.9	67%	0.674	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-71	154.4	176.4	-70.6	-46.8	0	0	0	112.5	K523 Q568	K523-D566 IonicContact NZ-OD1 2.67Å; K523-D566 PolarHBondContact NZ-OD1 3.28Å; D566-Q568 PolarHBondContact O-N 3.3Å
567	C	84.6	Confident	68.4	Low	58 Å²	58	107.9 Å²	107.9	39%	0.392	62%	0.623	S	S	.	*			trans	-75	115.9	171.3	-41.3	0	0	0	0	108.4	C521 N569	C521-C567 HydrophobicContact CB-CB 3.79Å; C521-C567 WeakPolarHBondContact CB-SG 3.28Å; C521-C567 VanDerWaalsContact SG-CA 3.51Å; C521-C567 WeakPolarHBondContact SG-CB 3.45Å; C521-C567 CovalentContact SG-SG 2.01Å; C521-C567 PolarHBondContact SG-SG 3.22Å; C567-N569 PolarHBondContact O-N 3.31Å
568	Q	62.6	Low	67.2	Low	182 Å²	182	108.5 Å²	108.5	85%	0.85	63%	0.632	S	S	*	*			trans	-58	129.2	167.6	-81.1	-178.4	-18.6	0	0	109.1	D566 T570	D566-Q568 PolarHBondContact O-N 3.3Å; Q568-T570 PolarHBondContact O-N 2.79Å
569	N	45	Very low	65.9	Low	135 Å²	135	106.1 Å²	106.1	72%	0.722	63%	0.628	S	S	*	*			trans	-40.1	93.6	-175.9	-79.6	-18.4	0	0	0	113.1	C567 F571	C567-N569 PolarHBondContact O-N 3.31Å; N569-F571 WeakPolarHBondContact OD1-CD2 3.45Å
570	T	43.4	Very low	64.2	Low	129 Å²	129	111.9 Å²	111.9	79%	0.791	66%	0.659	S	S	*	*			trans	-102.4	48	143.4	25.4	0	0	0	0	107.6	Q568 V572	Q568-T570 PolarHBondContact O-N 2.79Å; T570-V572 PolarHBondContact O-N 2.66Å
571	F	35.1	Very low	62.3	Low	180 Å²	180	113.6 Å²	113.6	79%	0.789	67%	0.672	S	S	*	*			trans	-64.3	84.1	148.4	-87.2	-88.4	0	0	0	106.3	N569 A573	N569-F571 WeakPolarHBondContact OD1-CD2 3.45Å; F571-A573 PolarHBondContact O-N 3.02Å
572	V	35.2	Very low	60.1	Low	99 Å²	99	119.2 Å²	119.2	60%	0.6	71%	0.705	S	S	*	*			trans	-72.9	91.7	151.6	-163	0	0	0	0	104.1	T570 L574	T570-V572 PolarHBondContact O-N 2.66Å; V572-L574 VanDerWaalsContact C-N 3.33Å; V572-L574 HydrophobicContact CB-CD1 4.47Å; V572-L574 HydrophobicContact CB-CG 4.17Å; V572-L574 HydrophobicContact CG1-CD1 3.99Å; V572-L574 HydrophobicContact CG1-CD2 3.56Å; V572-L574 HydrophobicContact CG1-CG 3.48Å; V572-L574 VanDerWaalsContact CG1-CG 3.48Å; V572-L574 PolarHBondContact O-N 2.8Å
573	A	33.5	Very low	57.8	Low	90 Å²	90	117.9 Å²	117.9	74%	0.744	70%	0.703	S	S	*	*			trans	-52.7	106.7	156.8	0	0	0	0	0	106.3	F571	F571-A573 PolarHBondContact O-N 3.02Å
574	L	34.6	Very low	55.4	Low	125 Å²	125	120.4 Å²	120.4	65%	0.654	69%	0.686	S	S	*	*			trans	-115	95.2	170.1	-69.7	173.5	0	0	0	106.3	V572	V572-L574 VanDerWaalsContact C-N 3.33Å; V572-L574 HydrophobicContact CB-CD1 4.47Å; V572-L574 HydrophobicContact CB-CG 4.17Å; V572-L574 HydrophobicContact CG1-CD1 3.99Å; V572-L574 HydrophobicContact CG1-CD2 3.56Å; V572-L574 HydrophobicContact CG1-CG 3.48Å; V572-L574 VanDerWaalsContact CG1-CG 3.48Å; V572-L574 PolarHBondContact O-N 2.8Å
575	N	31.6	Very low	52.3	Low	220 Å²	220	127.7 Å²	127.7	100%	1.176	73%	0.729	S	S	*	*			trans	-48.5	0	156.9	-84.4	-15	0	0	0	111.2

Retrieved 575 of 575 residues in 267.6 ms (Link to these results)

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