A0A087YD04_POEFO Loading...

protein-arginine deiminase

AlphaFold DB , UniProt , Accession A0A087YD04, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 703 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	28.9	Very low	253 Å²	253	151.5 Å²	151.5	100%	1.246	85%	0.847	S	S	*	*				0	95.2	0	-78.1	174.4	-174.2	0	0	106.9
2	S	30.6	Very low	28.8	Very low	116 Å²	116	145.3 Å²	145.3	81%	0.811	82%	0.822	S	S	*	*			trans	-129.6	123	-178.7	-166	0	0	0	0	104.4
3	Q	27.7	Very low	28.7	Very low	183 Å²	183	146.8 Å²	146.8	86%	0.855	83%	0.826	S	S	*	*			trans	-160.9	111.7	164.4	-112.1	175.5	9.8	0	0	110.2
4	D	28.9	Very low	28.8	Very low	156 Å²	156	145.1 Å²	145.1	83%	0.834	81%	0.805	S	S	*	*			trans	14.4	124.3	141.7	-64.4	-45.4	0	0	0	119.6
5	I	29.7	Very low	29	Very low	162 Å²	162	138.9 Å²	138.9	83%	0.831	77%	0.774	S	S	*	*			trans	-119.1	101.6	156	-63.5	179.1	0	0	0	108.7
6	S	25.7	Very low	29.3	Very low	87 Å²	87	134.6 Å²	134.6	61%	0.608	76%	0.763	S	S	*	*			trans	18.3	123.5	146.9	62.7	0	0	0	0	120.3
7	K	30.5	Very low	29.6	Very low	215 Å²	215	130.1 Å²	130.1	94%	0.935	73%	0.733	S	S	*	*			trans	-43.6	130	144.3	-69.8	172.6	173.6	177.2	0	110.9
8	T	26.1	Very low	30.2	Very low	127 Å²	127	125.6 Å²	125.6	78%	0.779	71%	0.708	S	S	*	*			trans	-123.5	122.6	159.3	44.3	0	0	0	0	108.9
9	D	28.3	Very low	30.6	Very low	164 Å²	164	126.6 Å²	126.6	88%	0.877	71%	0.706	S	S	*	*			trans	-49.4	134.5	169.6	-70.1	-54.9	0	0	0	112.5
10	S	26.6	Very low	31.1	Very low	112 Å²	112	128.7 Å²	128.7	78%	0.783	71%	0.708	S	S	*	*			trans	-138.3	65.2	152.1	71.4	0	0	0	0	108.7	S12	S10-S12 PolarHBondContact O-N 2.96Å
11	A	26.1	Very low	31.8	Very low	92 Å²	92	128.5 Å²	128.5	76%	0.76	70%	0.696	S	S	*	*			trans	-65.2	93.9	151.4	0	0	0	0	0	106.3	N13	A11-N13 PolarHBondContact O-N 3.38Å; A11-N13 VanDerWaalsContact O-N 3.14Å
12	S	27.5	Very low	31.7	Very low	77 Å²	77	126.5 Å²	126.5	54%	0.538	68%	0.681	S	S	.	*			trans	-62.1	113.7	169.4	53.6	0	0	0	0	107.6	S10 F14	S10-S12 PolarHBondContact O-N 2.96Å; S12-F14 VanDerWaalsContact C-N 3.29Å; S12-F14 VanDerWaalsContact O-CD2 3.3Å; S12-F14 WeakPolarHBondContact O-CD2 3.36Å; S12-F14 PolarHBondContact O-N 3.41Å; S12-F14 WeakPolarHBondContact OG-CE2 3.43Å
13	N	27.4	Very low	32	Very low	165 Å²	165	125 Å²	125	88%	0.882	68%	0.683	S	S	*	*			trans	-55.7	94.8	166.2	-89.1	-14.9	0	0	0	108.7	A11	A11-N13 PolarHBondContact O-N 3.38Å; A11-N13 VanDerWaalsContact O-N 3.14Å
14	F	30.6	Very low	32.5	Very low	122 Å²	122	118.3 Å²	118.3	54%	0.535	66%	0.664	S	S	.	*			trans	-70.4	139.7	162.1	-75.7	-84.2	0	0	0	107.7	S12 V18	S12-F14 VanDerWaalsContact C-N 3.29Å; S12-F14 VanDerWaalsContact O-CD2 3.3Å; S12-F14 WeakPolarHBondContact O-CD2 3.36Å; S12-F14 PolarHBondContact O-N 3.41Å; S12-F14 WeakPolarHBondContact OG-CE2 3.43Å; F14-V18 HydrophobicContact CB-CB 4.36Å; F14-V18 HydrophobicContact CD1-CB 4.32Å; F14-V18 HydrophobicContact CD1-CG1 3.93Å
15	P	31.8	Very low	33.2	Very low	52 Å²	52	115.8 Å²	115.8	34%	0.338	66%	0.664	S	S	.	*			trans	-55.7	142.5	168	-21.6	32.5	0	0	0	110.1	F17 V18	P15-F17 HydrophobicContact CB-CD1 3.33Å; P15-F17 HydrophobicContact CB-CE1 3.03Å; P15-F17 HydrophobicContact CB-CE2 4.32Å; P15-F17 HydrophobicContact CB-CG 4.11Å; P15-F17 HydrophobicContact CB-CZ 3.58Å; P15-F17 HydrophobicContact CG-CD1 4.33Å; P15-F17 HydrophobicContact CG-CE1 3.59Å; P15-F17 HydrophobicContact CG-CZ 3.67Å; P15-F17 PolarHBondContact O-N 3.27Å; P15-V18 HydrophobicContact CB-CG2 4.39Å; P15-V18 HydrophobicContact CG-CG2 4.42Å; P15-V18 PolarHBondContact O-N 2.99Å
16	A	33.1	Very low	34.6	Very low	71 Å²	71	113.6 Å²	113.6	59%	0.587	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-52.7	-25.3	-177	0	0	0	0	0	113.9	V18 H19	A16-V18 VanDerWaalsContact C-N 3.26Å; A16-V18 PolarHBondContact O-N 3.33Å; A16-H19 PolarHBondContact O-CD2 3.39Å
17	F	35.7	Very low	36.5	Very low	58 Å²	58	116.3 Å²	116.3	25%	0.254	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-70.3	-12.1	176.3	67.1	-103.7	0	0	0	115.2	P15 V45 E138	P15-F17 HydrophobicContact CB-CD1 3.33Å; P15-F17 HydrophobicContact CB-CE1 3.03Å; P15-F17 HydrophobicContact CB-CE2 4.32Å; P15-F17 HydrophobicContact CB-CG 4.11Å; P15-F17 HydrophobicContact CB-CZ 3.58Å; P15-F17 HydrophobicContact CG-CD1 4.33Å; P15-F17 HydrophobicContact CG-CE1 3.59Å; P15-F17 HydrophobicContact CG-CZ 3.67Å; P15-F17 PolarHBondContact O-N 3.27Å; F17-V45 HydrophobicContact CE2-CG1 4.19Å; F17-E138 HydrophobicContact CE2-CG 4.33Å; F17-E138 WeakPolarHBondContact CE2-OE1 3.36Å; F17-E138 VanDerWaalsContact CZ-OE1 3.26Å; F17-E138 WeakPolarHBondContact CZ-OE1 3.12Å
18	V	39.1	Very low	39	Very low	49 Å²	49	109.1 Å²	109.1	30%	0.297	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-97.9	4.7	-176.8	-169.1	0	0	0	0	112.2	F14 P15 A16 K20	F14-V18 HydrophobicContact CB-CB 4.36Å; F14-V18 HydrophobicContact CD1-CB 4.32Å; F14-V18 HydrophobicContact CD1-CG1 3.93Å; P15-V18 HydrophobicContact CB-CG2 4.39Å; P15-V18 HydrophobicContact CG-CG2 4.42Å; P15-V18 PolarHBondContact O-N 2.99Å; A16-V18 VanDerWaalsContact C-N 3.26Å; A16-V18 PolarHBondContact O-N 3.33Å; V18-K20 PolarHBondContact O-N 3.19Å
19	H	37.8	Very low	42.1	Very low	145 Å²	145	104.7 Å²	104.7	67%	0.671	59%	0.587	S	S	*	*			trans	-62.1	112	177.8	-77.9	-55.3	0	0	0	110.9	A16 R21	A16-H19 PolarHBondContact O-CD2 3.39Å; H19-R21 PolarHBondContact O-N 2.84Å
20	K	41.8	Very low	45.2	Very low	168 Å²	168	101.6 Å²	101.6	73%	0.73	58%	0.575	S	S	*	*			trans	-48.3	120.9	177.7	-150.6	176.2	-173.3	-175.3	0	109.2	V18 K22 E26	V18-K20 PolarHBondContact O-N 3.19Å; K20-K22 PolarHBondContact O-N 3.12Å; K20-E26 WeakPolarHBondContact CE-OE1 3.43Å; K20-E26 IonicContact NZ-OE1 3.77Å; K20-E26 PolarHBondContact NZ-OE1 3Å
21	R	46.1	Very low	48.3	Very low	124 Å²	124	96.9 Å²	96.9	47%	0.468	54%	0.541	S	S	.	.			trans	-50.9	109.4	172.4	-71.6	-174.3	-178.7	-153.3	-1	108.4	H19 G23 E159 D321	H19-R21 PolarHBondContact O-N 2.84Å; R21-G23 PolarHBondContact O-N 3.46Å; R21-E159 IonicContact CZ-OE2 2.8Å; R21-E159 IonicContact NH1-OE1 3.86Å; R21-E159 IonicContact NH1-OE2 2.8Å; R21-E159 PolarHBondContact NH1-OE2 2.82Å; R21-E159 IonicContact NH2-OE2 3.44Å; R21-D321 IonicContact NH2-OD1 3.15Å
22	K	33.6	Very low	51.4	Low	211 Å²	211	100 Å²	100	92%	0.917	53%	0.533	S	S	*	.	S	Bend	trans	-75.7	109.4	171.7	-98.7	-176.7	174.6	178	0	107.7	K20	K20-K22 PolarHBondContact O-N 3.12Å
23	G	37.8	Very low	54.6	Low	84 Å²	84	96.7 Å²	96.7	87%	0.866	51%	0.51	S	S	*	.	S	Bend	trans	106.7	-6.6	166.2	0	0	0	0	0	117.3	R21	R21-G23 PolarHBondContact O-N 3.46Å
24	G	38.7	Very low	57.7	Low	43 Å²	43	90.8 Å²	90.8	44%	0.443	48%	0.478	S	S	.	.	S	Bend	trans	-86.9	143	170	0	0	0	0	0	111.8	E26	G24-E26 PolarHBondContact O-N 3Å
25	A	44.1	Very low	60.7	Low	103 Å²	103	86.1 Å²	86.1	85%	0.851	46%	0.46	S	S	*	.			trans	-55.5	129.7	169.5	0	0	0	0	0	109.7	Y27	A25-Y27 PolarHBondContact O-N 3.45Å
26	E	59	Low	63.4	Low	117 Å²	117	90.3 Å²	90.3	55%	0.547	48%	0.48	S	S	.	.			trans	-58.8	111.7	178.5	-78.1	-174.6	169.3	0	0	109.6	K20 G24 H28	K20-E26 WeakPolarHBondContact CE-OE1 3.43Å; K20-E26 IonicContact NZ-OE1 3.77Å; K20-E26 PolarHBondContact NZ-OE1 3Å; G24-E26 PolarHBondContact O-N 3Å; E26-H28 PolarHBondContact O-CD2 2.86Å; E26-H28 VanDerWaalsContact O-CD2 3.29Å; E26-H28 PolarHBondContact O-N 3.33Å; E26-H28 IonicContact OE2-CE1 2.8Å; E26-H28 PolarHBondContact OE2-CE1 3.13Å; E26-H28 IonicContact OE2-NE2 3.27Å
27	Y	64.3	Low	66.2	Low	143 Å²	143	91.5 Å²	91.5	56%	0.561	48%	0.476	S	S	*	.			trans	-74.3	110.7	178.1	-176.2	-97.4	0	0	0	109.7	A25 R29 S48	A25-Y27 PolarHBondContact O-N 3.45Å; Y27-R29 HydrophobicContact CE1-CB 3.97Å; Y27-S48 PolarHBondContact O-OG 2.66Å
28	H	84.3	Confident	69	Low	64 Å²	64	93.1 Å²	93.1	30%	0.296	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	102.1	175.9	-53.5	-63.2	0	0	0	110	E26 T30 S48 K50 L98	E26-H28 PolarHBondContact O-CD2 2.86Å; E26-H28 VanDerWaalsContact O-CD2 3.29Å; E26-H28 PolarHBondContact O-N 3.33Å; E26-H28 IonicContact OE2-CE1 2.8Å; E26-H28 PolarHBondContact OE2-CE1 3.13Å; E26-H28 IonicContact OE2-NE2 3.27Å; H28-T30 PolarHBondContact O-N 3.37Å; H28-S48 CarbonylContact C-O 3.41Å; H28-S48 PolarHBondContact ND1-OG 3.41Å; H28-K50 HydrophobicContact CB-CB 3.96Å; H28-K50 HydrophobicContact CB-CD 4.2Å; H28-L98 HydrophobicContact CB-CD1 4.45Å; H28-L98 VanDerWaalsContact ND1-CD1 3.3Å; H28-L98 WeakPolarHBondContact ND1-CD1 3.41Å
29	R	91.3	Very high	71.6	Confident	35 Å²	35	93.2 Å²	93.2	13%	0.132	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	122.2	174.5	176.8	178.1	171.4	-149.5	-0.6	109.1	Y27 C31 L42 S48 L49 K50	Y27-R29 HydrophobicContact CE1-CB 3.97Å; R29-C31 PolarHBondContact O-N 2.95Å; R29-L42 PolarHBondContact NH1-O 3.15Å; R29-S48 PolarHBondContact N-O 3.01Å; R29-L49 HydrophobicContact CB-CD2 4.01Å; R29-L49 HydrophobicContact CG-CD2 4.1Å; R29-L49 CarbonylContact O-C 3.56Å; R29-L49 VanDerWaalsContact O-CA 3.25Å; R29-L49 WeakPolarHBondContact O-CA 3.35Å; R29-K50 PolarHBondContact O-N 3.04Å
30	T	92.4	Very high	74.3	Confident	99 Å²	99	89 Å²	89	61%	0.607	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	126	178.3	-64	0	0	0	0	110.4	H28 K50	H28-T30 PolarHBondContact O-N 3.37Å; T30-K50 CarbonylContact C-O 3.57Å; T30-K50 WeakPolarHBondContact CA-O 3.49Å
31	C	92.1	Very high	76.8	Confident	13 Å²	13	81.8 Å²	81.8	9%	0.088	45%	0.446	C	S	.	.			trans	-115.9	139.7	174.5	-176.4	0	0	0	0	109.2	R29 L49 K50 A51	R29-C31 PolarHBondContact O-N 2.95Å; C31-L49 HydrophobicContact CB-CB 4.03Å; C31-K50 PolarHBondContact N-O 3.47Å; C31-A51 WeakPolarHBondContact O-CA 3.38Å; C31-A51 VanDerWaalsContact O-CB 3.25Å; C31-A51 WeakPolarHBondContact O-CB 3.45Å
32	R	91.1	Very high	79.2	Confident	156 Å²	156	75.9 Å²	75.9	59%	0.589	42%	0.424	S	S	*	.			trans	-104.7	135.3	175	-62.2	-177.9	-171.3	177	4.6	108.4	Q39	R32-Q39 VanDerWaalsContact O-CD 3.3Å; R32-Q39 PolarHBondContact O-NE2 3.08Å; R32-Q39 PolarHBondContact O-OE1 3.45Å
33	L	93.7	Very high	82.1	Confident	9 Å²	9	65.9 Å²	65.9	5%	0.047	38%	0.381	C	S	.	.			trans	-90.7	148.4	173	-59.3	179.4	0	0	0	110.2	Q39 A51 L53 S56 V115 A130 L132	L33-Q39 VanDerWaalsContact CA-OE1 3.3Å; L33-A51 HydrophobicContact CD1-CB 4.23Å; L33-A51 HydrophobicContact CD2-CB 4.46Å; L33-A51 HydrophobicContact CG-CB 3.98Å; L33-L53 HydrophobicContact CD1-CD2 3.68Å; L33-S56 PolarHBondContact N-OG 3.49Å; L33-S56 WeakPolarHBondContact O-CB 3.36Å; L33-S56 PolarHBondContact O-OG 2.94Å; L33-V115 HydrophobicContact CD1-CB 4.22Å; L33-V115 HydrophobicContact CD1-CG2 3.73Å; L33-A130 HydrophobicContact CB-CB 3.84Å; L33-L132 HydrophobicContact CD2-CD1 4.27Å
34	D	93.6	Very high	84.9	Confident	41 Å²	41	62.2 Å²	62.2	22%	0.219	34%	0.341	C	S	.	.			trans	-129.2	112.7	172.7	-173.5	-8.5	0	0	0	109.9	N36 N37 Q39 A130	D34-N36 PolarHBondContact O-N 3.18Å; D34-N36 WeakPolarHBondContact OD1-CA 3.46Å; D34-N36 WeakPolarHBondContact OD1-CB 3.31Å; D34-N36 PolarHBondContact OD1-N 2.93Å; D34-N37 VanDerWaalsContact O-O 3.07Å; D34-N37 PolarHBondContact OD1-N 3.44Å; D34-N37 WeakPolarHBondContact OD2-CB 3.4Å; D34-N37 PolarHBondContact OD2-ND2 2.96Å; D34-Q39 HydrophobicContact CB-CG 4.2Å; D34-A130 WeakPolarHBondContact O-CA 3.39Å
35	P	92.5	Very high	87.5	Confident	24 Å²	24	61.1 Å²	61.1	16%	0.156	33%	0.326	C	S	.	.	S	Bend	trans	-70.2	-16.9	175	-17.5	30	0	0	0	114.9	S56 P58 Y117 A130	P35-S56 VanDerWaalsContact CD-O 3.24Å; P35-S56 WeakPolarHBondContact CD-O 3.34Å; P35-S56 WeakPolarHBondContact CG-O 3.18Å; P35-P58 HydrophobicContact CB-CG 3.96Å; P35-P58 HydrophobicContact CG-CG 3.97Å; P35-Y117 HydrophobicContact CG-CD2 4.43Å; P35-Y117 HydrophobicContact CG-CE2 4.17Å; P35-A130 HydrophobicContact CG-CB 4.46Å
36	N	89.3	Confident	89.6	Confident	140 Å²	140	59.8 Å²	59.8	75%	0.749	32%	0.322	S	S	*	.	S	Bend	trans	-90.9	-32.9	-177.2	-58.6	-46.1	0	0	0	111.6	D34	D34-N36 PolarHBondContact O-N 3.18Å; D34-N36 WeakPolarHBondContact OD1-CA 3.46Å; D34-N36 WeakPolarHBondContact OD1-CB 3.31Å; D34-N36 PolarHBondContact OD1-N 2.93Å
37	N	92.3	Very high	91.2	Very high	95 Å²	95	55.3 Å²	55.3	51%	0.508	30%	0.303	S	S	.	.	S	Bend	trans	-130	128	-176.3	-54.9	-70	0	0	0	111.1	D34 Q39	D34-N37 VanDerWaalsContact O-O 3.07Å; D34-N37 PolarHBondContact OD1-N 3.44Å; D34-N37 WeakPolarHBondContact OD2-CB 3.4Å; D34-N37 PolarHBondContact OD2-ND2 2.96Å; N37-Q39 PolarHBondContact O-N 3.26Å
38	P	94.1	Very high	92.6	Very high	93 Å²	93	49 Å²	49	60%	0.604	28%	0.279	S	S	*	.			trans	-58.6	137	167.8	-21.9	33.2	0	0	0	111.2	V131	P38-V131 HydrophobicContact CB-CB 4.29Å; P38-V131 HydrophobicContact CB-CG1 4.4Å
39	Q	94.4	Very high	93.1	Very high	51 Å²	51	46 Å²	46	24%	0.238	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	148.4	-179.4	-67.1	171.7	-61	0	0	110.5	R32 L33 D34 N37 V131 L132 H133	R32-Q39 VanDerWaalsContact O-CD 3.3Å; R32-Q39 PolarHBondContact O-NE2 3.08Å; R32-Q39 PolarHBondContact O-OE1 3.45Å; L33-Q39 VanDerWaalsContact CA-OE1 3.3Å; D34-Q39 HydrophobicContact CB-CG 4.2Å; N37-Q39 PolarHBondContact O-N 3.26Å; Q39-V131 PolarHBondContact N-O 2.91Å; Q39-L132 HydrophobicContact CB-CD1 3.94Å; Q39-H133 PolarHBondContact O-N 3.24Å
40	S	94.3	Very high	93.3	Very high	55 Å²	55	48.6 Å²	48.6	39%	0.385	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.7	171.6	-58	0	0	0	0	109.4	K109 H133	S40-K109 WeakPolarHBondContact OG-CD 3.3Å; S40-K109 WeakPolarHBondContact OG-CE 2.86Å; S40-H133 CarbonylContact C-O 3.6Å; S40-H133 WeakPolarHBondContact CA-O 3.37Å
41	V	94.3	Very high	93.4	Very high	17 Å²	17	43.9 Å²	43.9	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.6	-175.9	177.7	0	0	0	0	110.2	L49 L132 H133 L134 T135	V41-L49 HydrophobicContact CG1-CD1 3.83Å; V41-L49 HydrophobicContact CG1-CD2 4.4Å; V41-L132 HydrophobicContact CB-CD1 4.47Å; V41-L132 HydrophobicContact CG2-CD1 3.62Å; V41-L132 HydrophobicContact CG2-CG 4.18Å; V41-H133 PolarHBondContact N-O 3.3Å; V41-L134 HydrophobicContact CB-CD2 4.15Å; V41-L134 HydrophobicContact CG1-CD2 4.44Å; V41-L134 WeakPolarHBondContact O-CA 3.38Å; V41-T135 PolarHBondContact O-N 2.78Å; V41-T135 VanDerWaalsContact O-N 3.09Å
42	L	95.6	Very high	93.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130	167.9	-167.5	61.9	0	0	0	109.6	R29 T135 I137 L215 P216 Y219 L305 I318	R29-L42 PolarHBondContact NH1-O 3.15Å; L42-T135 CarbonylContact C-O 3.57Å; L42-T135 WeakPolarHBondContact CA-O 3.37Å; L42-T135 HydrophobicContact CD1-CG2 3.8Å; L42-T135 WeakPolarHBondContact CD1-O 3.49Å; L42-I137 HydrophobicContact CD1-CD1 4.1Å; L42-I137 HydrophobicContact CD1-CG1 4.22Å; L42-I137 HydrophobicContact CD1-CG2 3.96Å; L42-I137 HydrophobicContact CD2-CD1 3.91Å; L42-I137 HydrophobicContact CG-CD1 4.09Å; L42-I137 HydrophobicContact CG-CG1 4.4Å; L42-L215 HydrophobicContact CD2-CD2 4.27Å; L42-P216 HydrophobicContact CD1-CG 3.99Å; L42-P216 HydrophobicContact CD2-CG 4.46Å; L42-Y219 HydrophobicContact CB-CD1 4.19Å; L42-Y219 HydrophobicContact CB-CE1 3.7Å; L42-Y219 HydrophobicContact CD2-CD1 3.42Å; L42-Y219 VanDerWaalsContact CD2-CD1 3.42Å; L42-Y219 HydrophobicContact CD2-CE1 3.83Å; L42-Y219 HydrophobicContact CD2-CG 3.88Å; L42-Y219 HydrophobicContact CG-CD1 4.47Å; L42-Y219 HydrophobicContact CG-CE1 4.45Å; L42-L305 HydrophobicContact CD2-CD1 3.91Å; L42-L305 HydrophobicContact CD2-CD2 3.75Å; L42-L305 HydrophobicContact CD2-CG 4.24Å; L42-L305 HydrophobicContact CG-CD2 4.25Å; L42-I318 HydrophobicContact CB-CD1 4.38Å
43	H	95.4	Very high	93.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.7	-177.2	178.2	79.8	0	0	0	110.1	T47 M101 T135 A136 I137	H43-T47 PolarHBondContact CE1-O 3.16Å; H43-T47 VanDerWaalsContact CE1-O 3.24Å; H43-M101 HydrophobicContact CB-SD 3.92Å; H43-M101 PolarHBondContact NE2-N 2.63Å; H43-T135 PolarHBondContact N-O 3.22Å; H43-A136 CarbonylContact O-C 3.56Å; H43-A136 VanDerWaalsContact O-CA 3.27Å; H43-A136 WeakPolarHBondContact O-CA 3.21Å; H43-I137 PolarHBondContact O-N 3.05Å
44	V	95.6	Very high	93.6	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.3	174.3	-177.2	0	0	0	0	108.9	T47 I137 I139 L305 F319	V44-T47 HydrophobicContact CB-CG2 4.08Å; V44-T47 HydrophobicContact CG1-CG2 4.35Å; V44-T47 WeakPolarHBondContact O-CB 3.48Å; V44-T47 PolarHBondContact O-N 2.81Å; V44-T47 VanDerWaalsContact O-N 3.08Å; V44-T47 PolarHBondContact O-OG1 2.88Å; V44-I137 CarbonylContact C-O 3.57Å; V44-I137 VanDerWaalsContact CA-O 3.31Å; V44-I137 WeakPolarHBondContact CA-O 3.45Å; V44-I137 HydrophobicContact CG2-CG1 4.37Å; V44-I139 HydrophobicContact CG2-CD1 4.19Å; V44-L305 HydrophobicContact CG2-CD2 3.66Å; V44-F319 HydrophobicContact CB-CB 4.44Å; V44-F319 HydrophobicContact CB-CD2 4.1Å; V44-F319 HydrophobicContact CB-CG 4.14Å; V44-F319 HydrophobicContact CG1-CD1 4.15Å; V44-F319 HydrophobicContact CG1-CD2 3.96Å; V44-F319 HydrophobicContact CG1-CE1 4.09Å; V44-F319 HydrophobicContact CG1-CE2 3.91Å; V44-F319 HydrophobicContact CG1-CG 4.07Å; V44-F319 HydrophobicContact CG1-CZ 3.98Å; V44-F319 HydrophobicContact CG2-CB 3.69Å; V44-F319 HydrophobicContact CG2-CD1 4.11Å; V44-F319 HydrophobicContact CG2-CD2 4.23Å; V44-F319 HydrophobicContact CG2-CG 3.76Å
45	V	93.6	Very high	93.4	Very high	21 Å²	21	47.5 Å²	47.5	13%	0.127	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	140.4	178.8	176	0	0	0	0	109.9	F17 T47 A136 I137 E138	F17-V45 HydrophobicContact CE2-CG1 4.19Å; V45-T47 VanDerWaalsContact C-N 3.28Å; V45-T47 PolarHBondContact O-N 3.05Å; V45-A136 HydrophobicContact CG2-CB 4.09Å; V45-I137 PolarHBondContact N-O 2.93Å; V45-E138 HydrophobicContact CB-CG 3.72Å; V45-E138 HydrophobicContact CG1-CG 4.12Å; V45-E138 HydrophobicContact CG2-CG 3.85Å
46	G	88.8	Confident	93.1	Very high	74 Å²	74	47.2 Å²	47.2	76%	0.763	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-7.9	-173.3	0	0	0	0	0	114.3
47	T	92.4	Very high	93.2	Very high	24 Å²	24	41.7 Å²	41.7	15%	0.147	24%	0.239	C	C	.	.			trans	-101.7	-179.9	169.8	76.9	0	0	0	0	111.4	H43 V44 V45 F319	H43-T47 PolarHBondContact CE1-O 3.16Å; H43-T47 VanDerWaalsContact CE1-O 3.24Å; V44-T47 HydrophobicContact CB-CG2 4.08Å; V44-T47 HydrophobicContact CG1-CG2 4.35Å; V44-T47 WeakPolarHBondContact O-CB 3.48Å; V44-T47 PolarHBondContact O-N 2.81Å; V44-T47 VanDerWaalsContact O-N 3.08Å; V44-T47 PolarHBondContact O-OG1 2.88Å; V45-T47 VanDerWaalsContact C-N 3.28Å; V45-T47 PolarHBondContact O-N 3.05Å; T47-F319 HydrophobicContact CG2-CD2 3.87Å; T47-F319 HydrophobicContact CG2-CE2 3.95Å
48	S	93.7	Very high	93.3	Very high	9 Å²	9	38.1 Å²	38.1	6%	0.063	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.6	176.3	60.4	0	0	0	0	111.6	Y27 H28 R29 I99	Y27-S48 PolarHBondContact O-OG 2.66Å; H28-S48 CarbonylContact C-O 3.41Å; H28-S48 PolarHBondContact ND1-OG 3.41Å; R29-S48 PolarHBondContact N-O 3.01Å; S48-I99 CarbonylContact C-O 3.39Å; S48-I99 WeakPolarHBondContact CA-O 3.45Å
49	L	95.2	Very high	93.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132	171.7	-55.3	173.8	0	0	0	109.6	R29 C31 V41 L98 I99 L132 L134	R29-L49 HydrophobicContact CB-CD2 4.01Å; R29-L49 HydrophobicContact CG-CD2 4.1Å; R29-L49 CarbonylContact O-C 3.56Å; R29-L49 VanDerWaalsContact O-CA 3.25Å; R29-L49 WeakPolarHBondContact O-CA 3.35Å; C31-L49 HydrophobicContact CB-CB 4.03Å; V41-L49 HydrophobicContact CG1-CD1 3.83Å; V41-L49 HydrophobicContact CG1-CD2 4.4Å; L49-L98 CarbonylContact O-C 3.56Å; L49-L98 WeakPolarHBondContact O-CA 3.26Å; L49-I99 HydrophobicContact CB-CB 4.19Å; L49-I99 PolarHBondContact N-O 3.36Å; L49-I99 PolarHBondContact O-N 3.22Å; L49-L132 HydrophobicContact CD1-CD2 4.34Å; L49-L134 HydrophobicContact CD1-CD2 3.78Å
50	K	95	Very high	93.1	Very high	90 Å²	90	39.9 Å²	39.9	39%	0.391	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.1	177.7	-177.7	178.7	-174.9	175	0	110.4	H28 R29 T30 C31 V96 I97 L98	H28-K50 HydrophobicContact CB-CB 3.96Å; H28-K50 HydrophobicContact CB-CD 4.2Å; R29-K50 PolarHBondContact O-N 3.04Å; T30-K50 CarbonylContact C-O 3.57Å; T30-K50 WeakPolarHBondContact CA-O 3.49Å; C31-K50 PolarHBondContact N-O 3.47Å; K50-V96 HydrophobicContact CD-CG1 4.29Å; K50-V96 HydrophobicContact CG-CG1 3.62Å; K50-I97 WeakPolarHBondContact CA-O 3.44Å; K50-L98 HydrophobicContact CB-CD1 4.19Å
51	A	95	Very high	93.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.1	175.2	0	0	0	0	0	111.5	C31 L33 L53 V96 I97	C31-A51 WeakPolarHBondContact O-CA 3.38Å; C31-A51 VanDerWaalsContact O-CB 3.25Å; C31-A51 WeakPolarHBondContact O-CB 3.45Å; L33-A51 HydrophobicContact CD1-CB 4.23Å; L33-A51 HydrophobicContact CD2-CB 4.46Å; L33-A51 HydrophobicContact CG-CB 3.98Å; A51-L53 PolarHBondContact O-N 3.17Å; A51-V96 WeakPolarHBondContact O-CA 3.09Å; A51-I97 HydrophobicContact CB-CG2 3.71Å; A51-I97 PolarHBondContact N-O 3.16Å; A51-I97 PolarHBondContact O-N 2.88Å
52	N	94.1	Very high	93.1	Very high	60 Å²	60	43.7 Å²	43.7	32%	0.321	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.9	168.6	-178.3	-56.4	0	0	0	108.2	N54 R55	N52-N54 VanDerWaalsContact C-N 3.32Å; N52-N54 PolarHBondContact O-N 2.87Å; N52-N54 WeakPolarHBondContact OD1-CB 3.28Å; N52-N54 PolarHBondContact OD1-N 3.22Å; N52-R55 HydrophobicContact CB-CB 4.12Å; N52-R55 PolarHBondContact OD1-N 3.36Å
53	L	94	Very high	93	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-28.4	-173	-64.3	-178.9	0	0	0	112.7	L33 A51 A57 F64 L76 L91 S95 I97 V115 Y117	L33-L53 HydrophobicContact CD1-CD2 3.68Å; A51-L53 PolarHBondContact O-N 3.17Å; L53-A57 PolarHBondContact O-N 3.02Å; L53-F64 HydrophobicContact CD1-CD1 4.3Å; L53-F64 HydrophobicContact CD1-CD2 3.8Å; L53-F64 HydrophobicContact CD1-CE1 3.85Å; L53-F64 HydrophobicContact CD1-CE2 3.31Å; L53-F64 HydrophobicContact CD1-CG 4.28Å; L53-F64 HydrophobicContact CD1-CZ 3.33Å; L53-L76 HydrophobicContact CD1-CD2 4.05Å; L53-L91 HydrophobicContact CB-CD1 3.89Å; L53-S95 PolarHBondContact N-O 2.65Å; L53-I97 HydrophobicContact CD1-CB 4.28Å; L53-I97 HydrophobicContact CD2-CB 4Å; L53-I97 HydrophobicContact CD2-CG2 3.48Å; L53-I97 VanDerWaalsContact CD2-CG2 3.48Å; L53-I97 HydrophobicContact CG-CB 4.23Å; L53-I97 HydrophobicContact CG-CG2 4.11Å; L53-V115 HydrophobicContact CD2-CG1 4.15Å; L53-V115 HydrophobicContact CD2-CG2 4.1Å; L53-Y117 WeakPolarHBondContact O-CE1 3.25Å; L53-Y117 PolarHBondContact O-OH 2.99Å
54	N	91.8	Very high	92.9	Very high	74 Å²	74	46.3 Å²	46.3	40%	0.396	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-36.7	179.7	-171	43.8	0	0	0	112	N52 S56 A57 L91	N52-N54 VanDerWaalsContact C-N 3.32Å; N52-N54 PolarHBondContact O-N 2.87Å; N52-N54 WeakPolarHBondContact OD1-CB 3.28Å; N52-N54 PolarHBondContact OD1-N 3.22Å; N54-S56 PolarHBondContact O-N 3.21Å; N54-S56 VanDerWaalsContact O-N 3.13Å; N54-A57 PolarHBondContact O-N 3.45Å; N54-L91 HydrophobicContact CB-CD1 4.39Å
55	R	90.3	Very high	92.7	Very high	161 Å²	161	47.1 Å²	47.1	61%	0.608	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.7	179.7	-175	177.4	-178.5	172.4	5.5	113.1	N52	N52-R55 HydrophobicContact CB-CB 4.12Å; N52-R55 PolarHBondContact OD1-N 3.36Å
56	S	85.5	Confident	92.8	Very high	19 Å²	19	47.2 Å²	47.2	13%	0.133	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	1.6	-175.3	-64.9	0	0	0	0	113.3	L33 P35 N54	L33-S56 PolarHBondContact N-OG 3.49Å; L33-S56 WeakPolarHBondContact O-CB 3.36Å; L33-S56 PolarHBondContact O-OG 2.94Å; P35-S56 VanDerWaalsContact CD-O 3.24Å; P35-S56 WeakPolarHBondContact CD-O 3.34Å; P35-S56 WeakPolarHBondContact CG-O 3.18Å; N54-S56 PolarHBondContact O-N 3.21Å; N54-S56 VanDerWaalsContact O-N 3.13Å
57	A	93	Very high	93	Very high	23 Å²	23	50.5 Å²	50.5	19%	0.19	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-74	137.4	-175.1	0	0	0	0	0	111.3	L53 N54 L91 Y117	L53-A57 PolarHBondContact O-N 3.02Å; N54-A57 PolarHBondContact O-N 3.45Å; A57-L91 HydrophobicContact CB-CD2 3.53Å; A57-Y117 HydrophobicContact CB-CD1 3.76Å; A57-Y117 HydrophobicContact CB-CE1 3.59Å; A57-Y117 HydrophobicContact CB-CG 4.48Å
58	P	94.3	Very high	93.1	Very high	21 Å²	21	51.8 Å²	51.8	14%	0.136	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-56.4	145.7	170	-24.2	33.7	0	0	0	111.5	P35 G60 S61 Y117 L127	P35-P58 HydrophobicContact CB-CG 3.96Å; P35-P58 HydrophobicContact CG-CG 3.97Å; P58-G60 PolarHBondContact O-N 3.1Å; P58-S61 WeakPolarHBondContact CD-OG 3.41Å; P58-S61 VanDerWaalsContact O-CB 3.3Å; P58-S61 WeakPolarHBondContact O-CB 3.32Å; P58-S61 PolarHBondContact O-N 2.97Å; P58-S61 VanDerWaalsContact O-N 3.14Å; P58-S61 PolarHBondContact O-OG 3.49Å; P58-Y117 HydrophobicContact CG-CD2 4.4Å; P58-L127 HydrophobicContact CB-CB 4Å; P58-L127 HydrophobicContact CG-CB 4.3Å
59	P	92.8	Very high	93.2	Very high	131 Å²	131	53.5 Å²	53.5	85%	0.851	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	134.2	176.5	-27.7	35.1	0	0	0	112.5
60	G	91.4	Very high	93	Very high	49 Å²	49	58.6 Å²	58.6	51%	0.505	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	2.1	-178.9	0	0	0	0	0	115.5	P58 K62 L127	P58-G60 PolarHBondContact O-N 3.1Å; G60-K62 PolarHBondContact O-N 3.46Å; G60-L127 VanDerWaalsContact C-CD1 3.46Å
61	S	93.8	Very high	93	Very high	19 Å²	19	55.6 Å²	55.6	13%	0.133	32%	0.318	C	S	.	.			trans	-65.6	127.7	174.2	-61.1	0	0	0	0	111.9	P58	P58-S61 WeakPolarHBondContact CD-OG 3.41Å; P58-S61 VanDerWaalsContact O-CB 3.3Å; P58-S61 WeakPolarHBondContact O-CB 3.32Å; P58-S61 PolarHBondContact O-N 2.97Å; P58-S61 VanDerWaalsContact O-N 3.14Å; P58-S61 PolarHBondContact O-OG 3.49Å
62	K	93.1	Very high	93	Very high	134 Å²	134	55.8 Å²	55.8	58%	0.583	32%	0.319	S	S	*	.			trans	-118.9	-20.6	175.9	-64.2	-170.4	-178	-178.5	0	113.2	G60 L91 Y118 Q119	G60-K62 PolarHBondContact O-N 3.46Å; K62-L91 PolarHBondContact O-N 3.14Å; K62-Y118 PolarHBondContact N-O 3.04Å; K62-Q119 WeakPolarHBondContact CD-O 3.47Å; K62-Q119 WeakPolarHBondContact CG-O 3.38Å
63	F	93.4	Very high	93.1	Very high	53 Å²	53	58.1 Å²	58.1	23%	0.232	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.7	179.5	-58.8	-96.6	0	0	0	111.1	L88 V89 P90 Y118	F63-L88 HydrophobicContact CB-CB 3.88Å; F63-L88 HydrophobicContact CB-CD1 4.3Å; F63-L88 HydrophobicContact CD1-CB 4.2Å; F63-L88 HydrophobicContact CG-CB 4.31Å; F63-V89 CarbonylContact C-O 3.5Å; F63-V89 WeakPolarHBondContact CA-O 3.42Å; F63-P90 HydrophobicContact CD1-CB 4.39Å; F63-P90 HydrophobicContact CD1-CG 4.28Å; F63-P90 HydrophobicContact CE1-CB 4.34Å; F63-P90 HydrophobicContact CE1-CG 4.08Å; F63-Y118 PolarHBondContact N-O 3.4Å; F63-Y118 VanDerWaalsContact N-O 3.1Å; F63-Y118 PolarHBondContact O-N 3.36Å
64	F	93.4	Very high	93.1	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.013	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	166.1	173.3	72	-83.9	0	0	0	112.4	L53 V66 L76 V89 L91 V115 R116 Y117	L53-F64 HydrophobicContact CD1-CD1 4.3Å; L53-F64 HydrophobicContact CD1-CD2 3.8Å; L53-F64 HydrophobicContact CD1-CE1 3.85Å; L53-F64 HydrophobicContact CD1-CE2 3.31Å; L53-F64 HydrophobicContact CD1-CG 4.28Å; L53-F64 HydrophobicContact CD1-CZ 3.33Å; F64-V66 HydrophobicContact CD2-CG2 3.91Å; F64-V66 HydrophobicContact CE2-CG2 3.79Å; F64-L76 HydrophobicContact CE2-CD1 3.97Å; F64-L76 HydrophobicContact CE2-CD2 3.86Å; F64-L76 HydrophobicContact CZ-CD1 4.03Å; F64-L76 HydrophobicContact CZ-CD2 4.03Å; F64-V89 HydrophobicContact CD1-CB 4.1Å; F64-V89 HydrophobicContact CD1-CG1 4.38Å; F64-V89 WeakPolarHBondContact CD1-O 3.34Å; F64-V89 HydrophobicContact CD2-CB 4.45Å; F64-V89 HydrophobicContact CE1-CB 3.68Å; F64-V89 HydrophobicContact CE1-CG1 3.52Å; F64-V89 HydrophobicContact CE2-CB 4.05Å; F64-V89 HydrophobicContact CE2-CG1 4.32Å; F64-V89 HydrophobicContact CE2-CG2 4.42Å; F64-V89 HydrophobicContact CG-CB 4.47Å; F64-V89 HydrophobicContact CZ-CB 3.66Å; F64-V89 HydrophobicContact CZ-CG1 3.48Å; F64-V89 VanDerWaalsContact CZ-CG1 3.48Å; F64-V89 HydrophobicContact CZ-CG2 4.36Å; F64-V89 PolarHBondContact N-O 2.99Å; F64-V89 PolarHBondContact O-N 3.4Å; F64-L91 HydrophobicContact CD1-CB 4.22Å; F64-L91 HydrophobicContact CD1-CD1 3.93Å; F64-L91 HydrophobicContact CE1-CD1 4.35Å; F64-V115 HydrophobicContact CB-CG1 4.14Å; F64-V115 HydrophobicContact CD2-CG1 4.13Å; F64-V115 HydrophobicContact CG-CG1 4.48Å; F64-R116 CarbonylContact C-O 3.57Å; F64-R116 WeakPolarHBondContact CA-O 3.49Å; F64-R116 WeakPolarHBondContact CB-O 3.49Å; F64-Y117 HydrophobicContact CB-CD1 4.05Å; F64-Y117 HydrophobicContact CB-CE1 4.34Å
65	S	93.1	Very high	93.1	Very high	23 Å²	23	64.5 Å²	64.5	16%	0.161	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.7	169.7	65.5	0	0	0	0	109.7	V115 R116 Y118	S65-V115 WeakPolarHBondContact O-CA 3.26Å; S65-R116 PolarHBondContact N-O 3.39Å; S65-R116 PolarHBondContact O-N 3.35Å; S65-Y118 WeakPolarHBondContact OG-CE2 3.47Å; S65-Y118 PolarHBondContact OG-OH 3.24Å
66	V	93.8	Very high	93.2	Very high	24 Å²	24	58.1 Å²	58.1	15%	0.145	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.5	178.4	-172.2	0	0	0	0	109.8	F64 F74 L76 I97 L113 S114 V115	F64-V66 HydrophobicContact CD2-CG2 3.91Å; F64-V66 HydrophobicContact CE2-CG2 3.79Å; V66-F74 HydrophobicContact CB-CD2 4.4Å; V66-F74 HydrophobicContact CB-CE1 4.1Å; V66-F74 HydrophobicContact CB-CE2 3.89Å; V66-F74 HydrophobicContact CB-CZ 3.72Å; V66-F74 HydrophobicContact CG1-CD1 3.81Å; V66-F74 HydrophobicContact CG1-CD2 4.13Å; V66-F74 HydrophobicContact CG1-CE1 3.71Å; V66-F74 HydrophobicContact CG1-CE2 4.04Å; V66-F74 HydrophobicContact CG1-CG 4.03Å; V66-F74 HydrophobicContact CG1-CZ 3.84Å; V66-F74 HydrophobicContact CG2-CE2 4.18Å; V66-L76 HydrophobicContact CG2-CD2 4.35Å; V66-I97 HydrophobicContact CG1-CD1 3.8Å; V66-I97 HydrophobicContact CG2-CD1 3.98Å; V66-L113 HydrophobicContact CG1-CD1 4.05Å; V66-L113 HydrophobicContact CG1-CD2 4.22Å; V66-L113 HydrophobicContact CG1-CG 4.05Å; V66-S114 WeakPolarHBondContact CA-O 3.31Å; V66-V115 HydrophobicContact CG2-CG2 4.35Å
67	K	93.9	Very high	93.4	Very high	143 Å²	143	60.7 Å²	60.7	62%	0.622	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	138.5	167.3	-66.5	-173.4	176.7	-171.4	0	109.2	L113 S114	K67-L113 CarbonylContact O-C 3.45Å; K67-L113 WeakPolarHBondContact O-CA 3.16Å; K67-S114 PolarHBondContact N-O 3.26Å; K67-S114 PolarHBondContact O-N 3.47Å; K67-S114 PolarHBondContact O-OG 3.06Å
68	C	94.8	Very high	93.1	Very high	50 Å²	50	62.6 Å²	62.6	34%	0.338	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	162.5	178.5	62.8	0	0	0	0	112.1	V72 K112 L113	C68-V72 HydrophobicContact CB-CB 3.9Å; C68-V72 HydrophobicContact CB-CG1 3.86Å; C68-V72 PolarHBondContact SG-O 3.44Å; C68-K112 CarbonylContact C-O 3.52Å; C68-K112 WeakPolarHBondContact CA-O 3.31Å; C68-L113 HydrophobicContact CB-CB 4.29Å; C68-L113 HydrophobicContact CB-CD1 4.14Å; C68-L113 HydrophobicContact CB-CG 4.23Å
69	T	94.8	Very high	92.7	Very high	46 Å²	46	66.4 Å²	66.4	28%	0.282	38%	0.384	S	S	.	.			trans	-72.7	166	169.7	50.6	0	0	0	0	111	N71 V72 D111 K112	T69-N71 VanDerWaalsContact C-N 3.33Å; T69-N71 PolarHBondContact O-N 3.45Å; T69-V72 PolarHBondContact O-N 2.91Å; T69-V72 VanDerWaalsContact O-N 3.13Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.45Å; T69-D111 WeakPolarHBondContact CB-OD1 3.47Å; T69-D111 WeakPolarHBondContact OG1-CA 3.3Å; T69-D111 PolarHBondContact OG1-OD1 3.36Å; T69-K112 HydrophobicContact CG2-CB 4.07Å; T69-K112 PolarHBondContact N-O 2.83Å; T69-K112 PolarHBondContact OG1-N 3.16Å; T69-K112 PolarHBondContact OG1-O 3.44Å
70	A	92.8	Very high	92	Very high	107 Å²	107	63.7 Å²	63.7	88%	0.884	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-33	-170.4	0	0	0	0	0	114.5	V72	A70-V72 VanDerWaalsContact C-N 3.29Å
71	N	94	Very high	91	Very high	27 Å²	27	67.7 Å²	67.7	14%	0.144	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.6	179.5	-173.9	30.8	0	0	0	112.8	T69 M101 S102 H103 D111	T69-N71 VanDerWaalsContact C-N 3.33Å; T69-N71 PolarHBondContact O-N 3.45Å; N71-M101 WeakPolarHBondContact ND2-CE 3.31Å; N71-M101 WeakPolarHBondContact O-CA 3.47Å; N71-S102 PolarHBondContact O-N 3.16Å; N71-S102 PolarHBondContact OD1-N 3.07Å; N71-H103 PolarHBondContact ND2-O 2.72Å; N71-H103 PolarHBondContact OD1-CD2 2.89Å; N71-H103 PolarHBondContact OD1-N 3.28Å; N71-H103 VanDerWaalsContact OD1-N 3.07Å; N71-D111 WeakPolarHBondContact CB-OD1 3.34Å; N71-D111 PolarHBondContact ND2-OD2 2.76Å
72	V	95.9	Very high	89.3	Confident	4 Å²	4	76.1 Å²	76.1	2%	0.024	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.8	-179.6	-178.8	0	0	0	0	109.6	C68 T69 A70 I99 M101 D111 L113 L134	C68-V72 HydrophobicContact CB-CB 3.9Å; C68-V72 HydrophobicContact CB-CG1 3.86Å; C68-V72 PolarHBondContact SG-O 3.44Å; T69-V72 PolarHBondContact O-N 2.91Å; T69-V72 VanDerWaalsContact O-N 3.13Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.45Å; A70-V72 VanDerWaalsContact C-N 3.29Å; V72-I99 HydrophobicContact CG1-CG2 3.65Å; V72-M101 HydrophobicContact CG2-CE 4.12Å; V72-M101 HydrophobicContact CG2-CG 4.27Å; V72-M101 HydrophobicContact CG2-SD 4.44Å; V72-D111 HydrophobicContact CG2-CB 3.7Å; V72-L113 HydrophobicContact CG1-CB 4.32Å; V72-L113 HydrophobicContact CG1-CD1 3.95Å; V72-L134 HydrophobicContact CG1-CD1 3.96Å; V72-L134 HydrophobicContact CG2-CD1 3.66Å
73	K	94.9	Very high	87.1	Confident	110 Å²	110	73.8 Å²	73.8	48%	0.478	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	152.2	171.9	-65.5	175.1	-177.7	161.4	0	109.4	I99 T100 S102	K73-I99 WeakPolarHBondContact O-CA 3.38Å; K73-T100 PolarHBondContact N-O 2.97Å; K73-T100 PolarHBondContact O-N 2.8Å; K73-S102 WeakPolarHBondContact CE-OG 3.44Å; K73-S102 PolarHBondContact NZ-OG 3.07Å
74	F	93.6	Very high	85	Confident	74 Å²	74	75.7 Å²	75.7	33%	0.325	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151	173.1	72.7	-88.2	0	0	0	112.8	V66 L76 I97 L98 L113	V66-F74 HydrophobicContact CB-CD2 4.4Å; V66-F74 HydrophobicContact CB-CE1 4.1Å; V66-F74 HydrophobicContact CB-CE2 3.89Å; V66-F74 HydrophobicContact CB-CZ 3.72Å; V66-F74 HydrophobicContact CG1-CD1 3.81Å; V66-F74 HydrophobicContact CG1-CD2 4.13Å; V66-F74 HydrophobicContact CG1-CE1 3.71Å; V66-F74 HydrophobicContact CG1-CE2 4.04Å; V66-F74 HydrophobicContact CG1-CG 4.03Å; V66-F74 HydrophobicContact CG1-CZ 3.84Å; V66-F74 HydrophobicContact CG2-CE2 4.18Å; F74-L76 HydrophobicContact CD2-CD2 4.25Å; F74-L76 HydrophobicContact CD2-CG 4.06Å; F74-L76 HydrophobicContact CE2-CD1 4.13Å; F74-L76 HydrophobicContact CE2-CD2 4.44Å; F74-L76 HydrophobicContact CE2-CG 3.99Å; F74-I97 HydrophobicContact CB-CD1 3.81Å; F74-I97 HydrophobicContact CB-CG1 3.87Å; F74-I97 HydrophobicContact CD2-CD1 3.97Å; F74-I97 HydrophobicContact CD2-CG1 4.2Å; F74-I97 HydrophobicContact CG-CD1 4Å; F74-I97 HydrophobicContact CG-CG1 4.38Å; F74-L98 CarbonylContact C-O 3.59Å; F74-L98 WeakPolarHBondContact CA-O 3.45Å; F74-L98 WeakPolarHBondContact CB-O 3.4Å; F74-L113 HydrophobicContact CB-CD1 4.23Å
75	E	93.6	Very high	82.8	Confident	134 Å²	134	88.5 Å²	88.5	63%	0.626	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.1	172.4	-64.1	179.5	-178.6	0	0	109.2	I97 L98	E75-I97 CarbonylContact O-C 3.46Å; E75-I97 WeakPolarHBondContact O-CA 3.46Å; E75-L98 HydrophobicContact CB-CB 4.34Å; E75-L98 PolarHBondContact N-O 2.78Å; E75-L98 PolarHBondContact O-N 2.87Å
76	L	92.4	Very high	81.2	Confident	27 Å²	27	91 Å²	91	14%	0.141	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138	178.7	-65.6	175.3	0	0	0	110	L53 F64 V66 F74 P78 P79 P80 V89 V96 I97	L53-L76 HydrophobicContact CD1-CD2 4.05Å; F64-L76 HydrophobicContact CE2-CD1 3.97Å; F64-L76 HydrophobicContact CE2-CD2 3.86Å; F64-L76 HydrophobicContact CZ-CD1 4.03Å; F64-L76 HydrophobicContact CZ-CD2 4.03Å; V66-L76 HydrophobicContact CG2-CD2 4.35Å; F74-L76 HydrophobicContact CD2-CD2 4.25Å; F74-L76 HydrophobicContact CD2-CG 4.06Å; F74-L76 HydrophobicContact CE2-CD1 4.13Å; F74-L76 HydrophobicContact CE2-CD2 4.44Å; F74-L76 HydrophobicContact CE2-CG 3.99Å; L76-P78 CarbonylContact C-O 3.53Å; L76-P78 CarbonylContact O-C 3.54Å; L76-P79 WeakPolarHBondContact O-CA 3.4Å; L76-P80 HydrophobicContact CD1-CG 4.48Å; L76-V89 HydrophobicContact CD1-CG2 4.3Å; L76-V96 WeakPolarHBondContact CA-O 3.28Å; L76-I97 HydrophobicContact CD2-CB 3.93Å; L76-I97 HydrophobicContact CD2-CD1 4.3Å; L76-I97 HydrophobicContact CD2-CG1 3.94Å
77	S	89.5	Confident	80.1	Confident	73 Å²	73	92.1 Å²	92.1	51%	0.51	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.7	173.9	-172.7	0	0	0	0	109.7	S95 V96	S77-S95 WeakPolarHBondContact O-CA 3.49Å; S77-V96 PolarHBondContact N-O 3.4Å; S77-V96 PolarHBondContact O-N 3.27Å
78	P	86.3	Confident	79.7	Confident	63 Å²	63	86.6 Å²	86.6	41%	0.409	51%	0.505	S	S	.	.	S	Bend	cis	-64.7	154.8	-6.7	29.5	-34.9	0	0	0	112.4	L76	L76-P78 CarbonylContact C-O 3.53Å; L76-P78 CarbonylContact O-C 3.54Å
79	P	84.8	Confident	79.5	Confident	101 Å²	101	85.5 Å²	85.5	66%	0.656	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-63.4	143.2	175.8	26.1	-33.3	0	0	0	110.4	L76	L76-P79 WeakPolarHBondContact O-CA 3.4Å
80	P	79.4	Confident	79.3	Confident	73 Å²	73	87.3 Å²	87.3	47%	0.474	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-64.4	139.2	178.9	25.8	-32.5	0	0	0	110.7	L76 E82 V89	L76-P80 HydrophobicContact CD1-CG 4.48Å; P80-E82 PolarHBondContact O-N 2.83Å; P80-V89 HydrophobicContact CB-CG1 4.38Å; P80-V89 HydrophobicContact CB-CG2 4.39Å
81	V	68.9	Low	79.2	Confident	133 Å²	133	83.5 Å²	83.5	81%	0.806	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-65.4	127.5	173.4	-176	0	0	0	0	108.4	S83	V81-S83 PolarHBondContact O-N 2.96Å; V81-S83 PolarHBondContact O-OG 2.91Å
82	E	58	Low	78.9	Confident	196 Å²	196	84.1 Å²	84.1	92%	0.916	48%	0.48	S	S	*	.	S	Bend	trans	-48.1	109.7	-176.5	-77.7	-171.2	157.3	0	0	111.7	P80	P80-E82 PolarHBondContact O-N 2.83Å
83	S	48.2	Very low	78.2	Confident	86 Å²	86	86.6 Å²	86.6	60%	0.601	51%	0.507	S	S	*	.			trans	-160.2	122.9	165.1	48.8	0	0	0	0	110.1	V81	V81-S83 PolarHBondContact O-N 2.96Å; V81-S83 PolarHBondContact O-OG 2.91Å
84	S	48.1	Very low	77.9	Confident	93 Å²	93	86.3 Å²	86.3	65%	0.65	51%	0.511	S	S	*	.			trans	34.2	116	165.4	53.5	0	0	0	0	118	G86 A87	S84-G86 PolarHBondContact O-N 3.33Å; S84-A87 PolarHBondContact O-N 2.92Å
85	R	48.5	Very low	77.8	Confident	271 Å²	271	83.1 Å²	83.1	100%	1.023	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.2	108.5	167.1	-76.7	-178.6	175.5	-178.1	-1.3	110.6
86	G	59.1	Low	77.8	Confident	75 Å²	75	77.9 Å²	77.9	77%	0.773	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.9	-0.9	178.6	0	0	0	0	0	116.8	S84	S84-G86 PolarHBondContact O-N 3.33Å
87	A	70.9	Confident	77.9	Confident	48 Å²	48	76.6 Å²	76.6	40%	0.397	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-69.5	143.9	173.3	0	0	0	0	0	112.5	S84	S84-A87 PolarHBondContact O-N 2.92Å
88	L	85.5	Confident	78.2	Confident	27 Å²	27	74.6 Å²	74.6	14%	0.141	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-74.2	135.4	175.8	-60.4	-177.8	0	0	0	110.4	F63 Y118 T123	F63-L88 HydrophobicContact CB-CB 3.88Å; F63-L88 HydrophobicContact CB-CD1 4.3Å; F63-L88 HydrophobicContact CD1-CB 4.2Å; F63-L88 HydrophobicContact CG-CB 4.31Å; L88-Y118 HydrophobicContact CD1-CD1 4.05Å; L88-Y118 HydrophobicContact CD1-CD2 3.9Å; L88-Y118 HydrophobicContact CD1-CE1 4.39Å; L88-Y118 HydrophobicContact CD1-CE2 4.29Å; L88-Y118 HydrophobicContact CD1-CG 3.77Å; L88-Y118 HydrophobicContact CD2-CD2 3.78Å; L88-Y118 HydrophobicContact CD2-CE1 4.16Å; L88-Y118 HydrophobicContact CD2-CE2 3.35Å; L88-Y118 HydrophobicContact CD2-CG 4.35Å; L88-Y118 HydrophobicContact CG-CD2 4.41Å; L88-Y118 HydrophobicContact CG-CE2 4.42Å; L88-T123 HydrophobicContact CD2-CG2 4.41Å
89	V	90.2	Very high	78.6	Confident	28 Å²	28	71.6 Å²	71.6	17%	0.17	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.2	-178.2	-173.7	0	0	0	0	109.5	F63 F64 L76 P80 L91	F63-V89 CarbonylContact C-O 3.5Å; F63-V89 WeakPolarHBondContact CA-O 3.42Å; F64-V89 HydrophobicContact CD1-CB 4.1Å; F64-V89 HydrophobicContact CD1-CG1 4.38Å; F64-V89 WeakPolarHBondContact CD1-O 3.34Å; F64-V89 HydrophobicContact CD2-CB 4.45Å; F64-V89 HydrophobicContact CE1-CB 3.68Å; F64-V89 HydrophobicContact CE1-CG1 3.52Å; F64-V89 HydrophobicContact CE2-CB 4.05Å; F64-V89 HydrophobicContact CE2-CG1 4.32Å; F64-V89 HydrophobicContact CE2-CG2 4.42Å; F64-V89 HydrophobicContact CG-CB 4.47Å; F64-V89 HydrophobicContact CZ-CB 3.66Å; F64-V89 HydrophobicContact CZ-CG1 3.48Å; F64-V89 VanDerWaalsContact CZ-CG1 3.48Å; F64-V89 HydrophobicContact CZ-CG2 4.36Å; F64-V89 PolarHBondContact N-O 2.99Å; F64-V89 PolarHBondContact O-N 3.4Å; L76-V89 HydrophobicContact CD1-CG2 4.3Å; P80-V89 HydrophobicContact CB-CG1 4.38Å; P80-V89 HydrophobicContact CB-CG2 4.39Å; V89-L91 PolarHBondContact O-N 3.47Å
90	P	90.6	Very high	79.2	Confident	84 Å²	84	68.9 Å²	68.9	55%	0.545	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	133.4	174.4	-22.8	33.1	0	0	0	111.5	F63	F63-P90 HydrophobicContact CD1-CB 4.39Å; F63-P90 HydrophobicContact CD1-CG 4.28Å; F63-P90 HydrophobicContact CE1-CB 4.34Å; F63-P90 HydrophobicContact CE1-CG 4.08Å
91	L	90.9	Very high	79.9	Confident	27 Å²	27	65.7 Å²	65.7	14%	0.141	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-86.2	122.2	174.4	-174.6	68.9	0	0	0	109.3	L53 N54 A57 K62 F64 V89 Y117	L53-L91 HydrophobicContact CB-CD1 3.89Å; N54-L91 HydrophobicContact CB-CD1 4.39Å; A57-L91 HydrophobicContact CB-CD2 3.53Å; K62-L91 PolarHBondContact O-N 3.14Å; F64-L91 HydrophobicContact CD1-CB 4.22Å; F64-L91 HydrophobicContact CD1-CD1 3.93Å; F64-L91 HydrophobicContact CE1-CD1 4.35Å; V89-L91 PolarHBondContact O-N 3.47Å; L91-Y117 HydrophobicContact CD1-CE1 4.49Å; L91-Y117 HydrophobicContact CD2-CD1 4.43Å
92	S	87.7	Confident	80.8	Confident	39 Å²	39	60.7 Å²	60.7	27%	0.273	36%	0.363	S	S	.	.			trans	-118.1	162.3	175.7	67.2	0	0	0	0	111.3	N94 S95	S92-N94 WeakPolarHBondContact CB-OD1 3.48Å; S92-N94 PolarHBondContact O-N 3.07Å; S92-N94 VanDerWaalsContact O-N 3.11Å; S92-N94 PolarHBondContact OG-OD1 2.65Å; S92-S95 PolarHBondContact N-OG 2.86Å; S92-S95 WeakPolarHBondContact O-CB 3.3Å; S92-S95 PolarHBondContact O-N 3.17Å; S92-S95 PolarHBondContact O-OG 3.09Å; S92-S95 PolarHBondContact OG-N 3.23Å; S92-S95 PolarHBondContact OG-OG 3.4Å
93	G	82.1	Confident	82.5	Confident	57 Å²	57	56.5 Å²	56.5	59%	0.588	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-24	178.8	0	0	0	0	0	114.8
94	N	87.6	Confident	84.7	Confident	104 Å²	104	53.4 Å²	53.4	56%	0.556	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	9.3	178.2	67.1	-23.1	0	0	0	114	S92 V96	S92-N94 WeakPolarHBondContact CB-OD1 3.48Å; S92-N94 PolarHBondContact O-N 3.07Å; S92-N94 VanDerWaalsContact O-N 3.11Å; S92-N94 PolarHBondContact OG-OD1 2.65Å; N94-V96 PolarHBondContact O-N 3.38Å
95	S	91.9	Very high	87	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.042	29%	0.294	C	S	.	.			trans	-63.8	116.6	178.5	-71	0	0	0	0	111.2	L53 S77 S92	L53-S95 PolarHBondContact N-O 2.65Å; S77-S95 WeakPolarHBondContact O-CA 3.49Å; S92-S95 PolarHBondContact N-OG 2.86Å; S92-S95 WeakPolarHBondContact O-CB 3.3Å; S92-S95 PolarHBondContact O-N 3.17Å; S92-S95 PolarHBondContact O-OG 3.09Å; S92-S95 PolarHBondContact OG-N 3.23Å; S92-S95 PolarHBondContact OG-OG 3.4Å
96	V	93.9	Very high	89.2	Confident	25 Å²	25	42.7 Å²	42.7	15%	0.152	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.8	179.6	171.7	0	0	0	0	109.5	K50 A51 L76 S77 N94	K50-V96 HydrophobicContact CD-CG1 4.29Å; K50-V96 HydrophobicContact CG-CG1 3.62Å; A51-V96 WeakPolarHBondContact O-CA 3.09Å; L76-V96 WeakPolarHBondContact CA-O 3.28Å; S77-V96 PolarHBondContact N-O 3.4Å; S77-V96 PolarHBondContact O-N 3.27Å; N94-V96 PolarHBondContact O-N 3.38Å
97	I	94.5	Very high	90.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.8	165.8	-170.3	172.4	0	0	0	109.5	K50 A51 L53 V66 F74 E75 L76 I99 L113	K50-I97 WeakPolarHBondContact CA-O 3.44Å; A51-I97 HydrophobicContact CB-CG2 3.71Å; A51-I97 PolarHBondContact N-O 3.16Å; A51-I97 PolarHBondContact O-N 2.88Å; L53-I97 HydrophobicContact CD1-CB 4.28Å; L53-I97 HydrophobicContact CD2-CB 4Å; L53-I97 HydrophobicContact CD2-CG2 3.48Å; L53-I97 VanDerWaalsContact CD2-CG2 3.48Å; L53-I97 HydrophobicContact CG-CB 4.23Å; L53-I97 HydrophobicContact CG-CG2 4.11Å; V66-I97 HydrophobicContact CG1-CD1 3.8Å; V66-I97 HydrophobicContact CG2-CD1 3.98Å; F74-I97 HydrophobicContact CB-CD1 3.81Å; F74-I97 HydrophobicContact CB-CG1 3.87Å; F74-I97 HydrophobicContact CD2-CD1 3.97Å; F74-I97 HydrophobicContact CD2-CG1 4.2Å; F74-I97 HydrophobicContact CG-CD1 4Å; F74-I97 HydrophobicContact CG-CG1 4.38Å; E75-I97 CarbonylContact O-C 3.46Å; E75-I97 WeakPolarHBondContact O-CA 3.46Å; L76-I97 HydrophobicContact CD2-CB 3.93Å; L76-I97 HydrophobicContact CD2-CD1 4.3Å; L76-I97 HydrophobicContact CD2-CG1 3.94Å; I97-I99 HydrophobicContact CD1-CG1 4.18Å; I97-I99 HydrophobicContact CG1-CG1 4.03Å; I97-I99 HydrophobicContact CG2-CD1 4.4Å; I97-I99 HydrophobicContact CG2-CG1 4.37Å; I97-L113 HydrophobicContact CD1-CD1 3.96Å; I97-L113 HydrophobicContact CD1-CD2 4.2Å
98	L	95.3	Very high	92	Very high	31 Å²	31	47.5 Å²	47.5	16%	0.162	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.6	166	-168.6	69.6	0	0	0	108.3	H28 L49 K50 F74 E75	H28-L98 HydrophobicContact CB-CD1 4.45Å; H28-L98 VanDerWaalsContact ND1-CD1 3.3Å; H28-L98 WeakPolarHBondContact ND1-CD1 3.41Å; L49-L98 CarbonylContact O-C 3.56Å; L49-L98 WeakPolarHBondContact O-CA 3.26Å; K50-L98 HydrophobicContact CB-CD1 4.19Å; F74-L98 CarbonylContact C-O 3.59Å; F74-L98 WeakPolarHBondContact CA-O 3.45Å; F74-L98 WeakPolarHBondContact CB-O 3.4Å; E75-L98 HydrophobicContact CB-CB 4.34Å; E75-L98 PolarHBondContact N-O 2.78Å; E75-L98 PolarHBondContact O-N 2.87Å
99	I	95.5	Very high	92.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.8	-176	-49.4	168.3	0	0	0	107.9	S48 L49 V72 K73 I97 L113 L132 L134	S48-I99 CarbonylContact C-O 3.39Å; S48-I99 WeakPolarHBondContact CA-O 3.45Å; L49-I99 HydrophobicContact CB-CB 4.19Å; L49-I99 PolarHBondContact N-O 3.36Å; L49-I99 PolarHBondContact O-N 3.22Å; V72-I99 HydrophobicContact CG1-CG2 3.65Å; K73-I99 WeakPolarHBondContact O-CA 3.38Å; I97-I99 HydrophobicContact CD1-CG1 4.18Å; I97-I99 HydrophobicContact CG1-CG1 4.03Å; I97-I99 HydrophobicContact CG2-CD1 4.4Å; I97-I99 HydrophobicContact CG2-CG1 4.37Å; I99-L113 HydrophobicContact CD1-CD1 3.96Å; I99-L113 HydrophobicContact CD1-CD2 4.16Å; I99-L113 HydrophobicContact CG1-CD1 3.9Å; I99-L113 HydrophobicContact CG2-CD1 4Å; I99-L132 HydrophobicContact CD1-CD2 3.98Å; I99-L134 HydrophobicContact CG2-CD1 4.2Å
100	T	95.4	Very high	92.3	Very high	43 Å²	43	52.5 Å²	52.5	26%	0.264	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.2	178	51.3	0	0	0	0	110	K73	K73-T100 PolarHBondContact N-O 2.97Å; K73-T100 PolarHBondContact O-N 2.8Å
101	M	94.8	Very high	92.5	Very high	7 Å²	7	49.2 Å²	49.2	3%	0.034	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.8	172.4	-55.7	-179.8	66	0	0	109.3	H43 N71 V72 D111 L134 A136	H43-M101 HydrophobicContact CB-SD 3.92Å; H43-M101 PolarHBondContact NE2-N 2.63Å; N71-M101 WeakPolarHBondContact ND2-CE 3.31Å; N71-M101 WeakPolarHBondContact O-CA 3.47Å; V72-M101 HydrophobicContact CG2-CE 4.12Å; V72-M101 HydrophobicContact CG2-CG 4.27Å; V72-M101 HydrophobicContact CG2-SD 4.44Å; M101-D111 HydrophobicContact CE-CB 3.49Å; M101-D111 VanDerWaalsContact CE-CB 3.49Å; M101-D111 WeakPolarHBondContact CE-OD2 3.34Å; M101-L134 HydrophobicContact CE-CB 4.1Å; M101-L134 HydrophobicContact SD-CB 3.7Å; M101-L134 HydrophobicContact SD-CD1 4.1Å; M101-L134 HydrophobicContact SD-CD2 4.37Å; M101-L134 HydrophobicContact SD-CG 4.28Å; M101-A136 HydrophobicContact CB-CB 4.15Å; M101-A136 HydrophobicContact CE-CB 3.53Å; M101-A136 HydrophobicContact SD-CB 3.76Å
102	S	88	Confident	92.8	Very high	27 Å²	27	51.8 Å²	51.8	19%	0.189	27%	0.273	C	S	.	.	S	Bend	trans	-95.8	-21.1	-173.6	-57.7	0	0	0	0	113.3	N71 K73	N71-S102 PolarHBondContact O-N 3.16Å; N71-S102 PolarHBondContact OD1-N 3.07Å; K73-S102 WeakPolarHBondContact CE-OG 3.44Å; K73-S102 PolarHBondContact NZ-OG 3.07Å
103	H	92.9	Very high	93.2	Very high	108 Å²	108	50 Å²	50	50%	0.5	26%	0.261	S	S	.	.	S	Bend	trans	-139.4	148.7	-176.3	-53.4	-72.8	0	0	0	111	N71 A136	N71-H103 PolarHBondContact ND2-O 2.72Å; N71-H103 PolarHBondContact OD1-CD2 2.89Å; N71-H103 PolarHBondContact OD1-N 3.28Å; N71-H103 VanDerWaalsContact OD1-N 3.07Å; H103-A136 VanDerWaalsContact O-CB 3.26Å; H103-A136 WeakPolarHBondContact O-CB 3.29Å
104	A	95.7	Very high	93.9	Very high	22 Å²	22	48.3 Å²	48.3	18%	0.182	24%	0.24	C	C	.	.			trans	-59.1	144.8	169	0	0	0	0	0	111.8	A136 E138 R210	A104-A136 WeakPolarHBondContact CA-O 3.38Å; A104-E138 HydrophobicContact CB-CG 4.32Å; A104-R210 HydrophobicContact CB-CB 4.08Å; A104-R210 HydrophobicContact CB-CG 3.83Å; A104-R210 WeakPolarHBondContact CB-O 3.36Å
105	S	96.4	Very high	94.3	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.042	21%	0.214	C	C	.	.			trans	-76.7	151.7	177.7	-61.9	0	0	0	0	111.2	Y107 A136 G211	S105-Y107 WeakPolarHBondContact CB-O 3.16Å; S105-A136 PolarHBondContact N-O 3.21Å; S105-A136 PolarHBondContact OG-N 2.89Å; S105-G211 CarbonylContact O-C 3.2Å
106	Q	93.4	Very high	94.4	Very high	133 Å²	133	47.9 Å²	47.9	62%	0.621	23%	0.23	S	C	*	.	S	Bend	trans	-85.5	-37.8	177.7	-174	177.3	3.5	0	0	111.5	D110 P212	Q106-D110 PolarHBondContact N-OD2 3.14Å; Q106-P212 WeakPolarHBondContact O-CA 3.29Å
107	Y	94.6	Very high	94.5	Very high	140 Å²	140	46.7 Å²	46.7	55%	0.549	22%	0.222	S	C	.	.	S	Bend	trans	-130.1	166.7	174.8	-39.6	-87.7	0	0	0	111	S105 D110	S105-Y107 WeakPolarHBondContact CB-O 3.16Å; Y107-D110 VanDerWaalsContact CB-OD1 3.23Å; Y107-D110 WeakPolarHBondContact CB-OD1 3.4Å; Y107-D110 PolarHBondContact N-OD2 3.42Å
108	E	94.5	Very high	94.4	Very high	84 Å²	84	47.1 Å²	47.1	39%	0.393	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	135.7	177.2	-153.7	-157.4	152.7	0	0	110.7	D110 T135 P216	E108-D110 PolarHBondContact O-N 3.15Å; E108-T135 HydrophobicContact CG-CG2 4.47Å; E108-P216 HydrophobicContact CG-CB 4.33Å; E108-P216 HydrophobicContact CG-CG 4.03Å
109	K	94.2	Very high	94.3	Very high	91 Å²	91	51.1 Å²	51.1	40%	0.396	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	22.4	175.7	-52.9	176.4	-164.5	172.4	0	114.6	S40 D111 H133 T135	S40-K109 WeakPolarHBondContact OG-CD 3.3Å; S40-K109 WeakPolarHBondContact OG-CE 2.86Å; K109-D111 PolarHBondContact O-N 3.23Å; K109-H133 HydrophobicContact CB-CB 3.9Å; K109-H133 HydrophobicContact CD-CB 4.29Å; K109-H133 HydrophobicContact CG-CB 3.96Å; K109-T135 PolarHBondContact N-OG1 3.03Å
110	D	88.8	Confident	93.9	Very high	68 Å²	68	53.5 Å²	53.5	36%	0.364	26%	0.259	S	S	.	.			trans	-57.9	-34.2	175.8	-83.7	-4.8	0	0	0	113.3	Q106 Y107 E108	Q106-D110 PolarHBondContact N-OD2 3.14Å; Y107-D110 VanDerWaalsContact CB-OD1 3.23Å; Y107-D110 WeakPolarHBondContact CB-OD1 3.4Å; Y107-D110 PolarHBondContact N-OD2 3.42Å; E108-D110 PolarHBondContact O-N 3.15Å
111	D	95.4	Very high	93	Very high	15 Å²	15	54.1 Å²	54.1	8%	0.08	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	152	-174.3	-81.1	-60.1	0	0	0	111.7	T69 N71 V72 M101 K109 H133 L134	T69-D111 WeakPolarHBondContact CB-OD1 3.47Å; T69-D111 WeakPolarHBondContact OG1-CA 3.3Å; T69-D111 PolarHBondContact OG1-OD1 3.36Å; N71-D111 WeakPolarHBondContact CB-OD1 3.34Å; N71-D111 PolarHBondContact ND2-OD2 2.76Å; V72-D111 HydrophobicContact CG2-CB 3.7Å; M101-D111 HydrophobicContact CE-CB 3.49Å; M101-D111 VanDerWaalsContact CE-CB 3.49Å; M101-D111 WeakPolarHBondContact CE-OD2 3.34Å; K109-D111 PolarHBondContact O-N 3.23Å; D111-H133 CarbonylContact O-C 3.49Å; D111-H133 WeakPolarHBondContact O-CA 3.47Å; D111-L134 HydrophobicContact CB-CB 3.94Å; D111-L134 PolarHBondContact N-O 3.05Å; D111-L134 PolarHBondContact O-N 2.9Å
112	K	96.4	Very high	92.2	Very high	82 Å²	82	56.2 Å²	56.2	36%	0.357	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	138.6	-176	176.1	170.3	167.1	164	0	111.7	C68 T69 V131 L132	C68-K112 CarbonylContact C-O 3.52Å; C68-K112 WeakPolarHBondContact CA-O 3.31Å; T69-K112 HydrophobicContact CG2-CB 4.07Å; T69-K112 PolarHBondContact N-O 2.83Å; T69-K112 PolarHBondContact OG1-N 3.16Å; T69-K112 PolarHBondContact OG1-O 3.44Å; K112-V131 HydrophobicContact CD-CG1 3.97Å; K112-V131 VanDerWaalsContact CE-CG1 3.44Å; K112-V131 HydrophobicContact CG-CG1 4.2Å; K112-L132 CarbonylContact C-O 3.57Å; K112-L132 VanDerWaalsContact CA-O 3.27Å; K112-L132 WeakPolarHBondContact CA-O 3.36Å
113	L	96.6	Very high	91.7	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.3	163.7	-173.9	142.6	0	0	0	109.3	V66 K67 C68 V72 F74 I97 I99 V115 L132 L134	V66-L113 HydrophobicContact CG1-CD1 4.05Å; V66-L113 HydrophobicContact CG1-CD2 4.22Å; V66-L113 HydrophobicContact CG1-CG 4.05Å; K67-L113 CarbonylContact O-C 3.45Å; K67-L113 WeakPolarHBondContact O-CA 3.16Å; C68-L113 HydrophobicContact CB-CB 4.29Å; C68-L113 HydrophobicContact CB-CD1 4.14Å; C68-L113 HydrophobicContact CB-CG 4.23Å; V72-L113 HydrophobicContact CG1-CB 4.32Å; V72-L113 HydrophobicContact CG1-CD1 3.95Å; F74-L113 HydrophobicContact CB-CD1 4.23Å; I97-L113 HydrophobicContact CD1-CD1 3.96Å; I97-L113 HydrophobicContact CD1-CD2 4.2Å; I99-L113 HydrophobicContact CD1-CD1 3.96Å; I99-L113 HydrophobicContact CD1-CD2 4.16Å; I99-L113 HydrophobicContact CG1-CD1 3.9Å; I99-L113 HydrophobicContact CG2-CD1 4Å; L113-V115 HydrophobicContact CD2-CG2 3.74Å; L113-L132 HydrophobicContact CB-CB 4.44Å; L113-L132 PolarHBondContact N-O 2.88Å; L113-L132 PolarHBondContact O-N 3.46Å; L113-L134 HydrophobicContact CB-CD1 4.34Å
114	S	96.2	Very high	91.1	Very high	22 Å²	22	65.7 Å²	65.7	15%	0.154	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.8	175.4	59	0	0	0	0	110.9	V66 K67 A130	V66-S114 WeakPolarHBondContact CA-O 3.31Å; K67-S114 PolarHBondContact N-O 3.26Å; K67-S114 PolarHBondContact O-N 3.47Å; K67-S114 PolarHBondContact O-OG 3.06Å; S114-A130 CarbonylContact C-O 3.56Å; S114-A130 VanDerWaalsContact CA-O 3.23Å; S114-A130 WeakPolarHBondContact CA-O 3.34Å
115	V	95.5	Very high	90.6	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.5	172.5	-175.5	0	0	0	0	107.5	L33 L53 F64 S65 V66 L113 Y117 T129 A130	L33-V115 HydrophobicContact CD1-CB 4.22Å; L33-V115 HydrophobicContact CD1-CG2 3.73Å; L53-V115 HydrophobicContact CD2-CG1 4.15Å; L53-V115 HydrophobicContact CD2-CG2 4.1Å; F64-V115 HydrophobicContact CB-CG1 4.14Å; F64-V115 HydrophobicContact CD2-CG1 4.13Å; F64-V115 HydrophobicContact CG-CG1 4.48Å; S65-V115 WeakPolarHBondContact O-CA 3.26Å; V66-V115 HydrophobicContact CG2-CG2 4.35Å; L113-V115 HydrophobicContact CD2-CG2 3.74Å; V115-Y117 HydrophobicContact CB-CE2 4.29Å; V115-Y117 HydrophobicContact CG1-CD2 4.47Å; V115-Y117 HydrophobicContact CG1-CE1 4.05Å; V115-Y117 HydrophobicContact CG1-CE2 3.89Å; V115-T129 CarbonylContact O-C 3.49Å; V115-T129 WeakPolarHBondContact O-CA 3.49Å; V115-A130 PolarHBondContact N-O 2.65Å; V115-A130 PolarHBondContact O-N 2.81Å
116	R	95	Very high	90.4	Very high	99 Å²	99	68.5 Å²	68.5	37%	0.374	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.3	175.9	-171.6	174.6	-66	171.5	-1.8	109.5	F64 S65 Y118 V126 T129	F64-R116 CarbonylContact C-O 3.57Å; F64-R116 WeakPolarHBondContact CA-O 3.49Å; F64-R116 WeakPolarHBondContact CB-O 3.49Å; S65-R116 PolarHBondContact N-O 3.39Å; S65-R116 PolarHBondContact O-N 3.35Å; R116-Y118 HydrophobicContact CB-CE2 4.04Å; R116-Y118 VanDerWaalsContact CD-OH 3.29Å; R116-Y118 WeakPolarHBondContact CD-OH 3.18Å; R116-Y118 HydrophobicContact CG-CE1 4.09Å; R116-Y118 HydrophobicContact CG-CE2 3.98Å; R116-Y118 WeakPolarHBondContact O-CE2 3.44Å; R116-V126 HydrophobicContact CG-CG1 3.68Å; R116-V126 HydrophobicContact CG-CG2 4.32Å; R116-T129 HydrophobicContact CB-CG2 4.4Å; R116-T129 WeakPolarHBondContact CG-OG1 3.39Å; R116-T129 PolarHBondContact NE-OG1 3.5Å
117	Y	94.8	Very high	90.4	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	144.5	-177.6	-63.1	-84.9	0	0	0	111.6	P35 L53 A57 P58 F64 L91 V115 V126 L127 G128 A130	P35-Y117 HydrophobicContact CG-CD2 4.43Å; P35-Y117 HydrophobicContact CG-CE2 4.17Å; L53-Y117 WeakPolarHBondContact O-CE1 3.25Å; L53-Y117 PolarHBondContact O-OH 2.99Å; A57-Y117 HydrophobicContact CB-CD1 3.76Å; A57-Y117 HydrophobicContact CB-CE1 3.59Å; A57-Y117 HydrophobicContact CB-CG 4.48Å; P58-Y117 HydrophobicContact CG-CD2 4.4Å; F64-Y117 HydrophobicContact CB-CD1 4.05Å; F64-Y117 HydrophobicContact CB-CE1 4.34Å; L91-Y117 HydrophobicContact CD1-CE1 4.49Å; L91-Y117 HydrophobicContact CD2-CD1 4.43Å; V115-Y117 HydrophobicContact CB-CE2 4.29Å; V115-Y117 HydrophobicContact CG1-CD2 4.47Å; V115-Y117 HydrophobicContact CG1-CE1 4.05Å; V115-Y117 HydrophobicContact CG1-CE2 3.89Å; Y117-V126 WeakPolarHBondContact O-CA 3.42Å; Y117-L127 PolarHBondContact O-N 3.47Å; Y117-G128 PolarHBondContact N-O 2.84Å; Y117-A130 HydrophobicContact CE2-CB 4.27Å
118	Y	93.9	Very high	90.3	Very high	9 Å²	9	59.2 Å²	59.2	4%	0.035	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.1	-173.5	-48.8	-100.5	0	0	0	112.4	K62 F63 S65 L88 R116 S125 V126	K62-Y118 PolarHBondContact N-O 3.04Å; F63-Y118 PolarHBondContact N-O 3.4Å; F63-Y118 VanDerWaalsContact N-O 3.1Å; F63-Y118 PolarHBondContact O-N 3.36Å; S65-Y118 WeakPolarHBondContact OG-CE2 3.47Å; S65-Y118 PolarHBondContact OG-OH 3.24Å; L88-Y118 HydrophobicContact CD1-CD1 4.05Å; L88-Y118 HydrophobicContact CD1-CD2 3.9Å; L88-Y118 HydrophobicContact CD1-CE1 4.39Å; L88-Y118 HydrophobicContact CD1-CE2 4.29Å; L88-Y118 HydrophobicContact CD1-CG 3.77Å; L88-Y118 HydrophobicContact CD2-CD2 3.78Å; L88-Y118 HydrophobicContact CD2-CE1 4.16Å; L88-Y118 HydrophobicContact CD2-CE2 3.35Å; L88-Y118 HydrophobicContact CD2-CG 4.35Å; L88-Y118 HydrophobicContact CG-CD2 4.41Å; L88-Y118 HydrophobicContact CG-CE2 4.42Å; R116-Y118 HydrophobicContact CB-CE2 4.04Å; R116-Y118 VanDerWaalsContact CD-OH 3.29Å; R116-Y118 WeakPolarHBondContact CD-OH 3.18Å; R116-Y118 HydrophobicContact CG-CE1 4.09Å; R116-Y118 HydrophobicContact CG-CE2 3.98Å; R116-Y118 WeakPolarHBondContact O-CE2 3.44Å; Y118-S125 CarbonylContact C-O 3.57Å; Y118-S125 WeakPolarHBondContact CA-O 3.25Å; Y118-V126 HydrophobicContact CD1-CG2 3.93Å; Y118-V126 HydrophobicContact CE1-CG2 3.72Å
119	Q	92.3	Very high	90.3	Very high	115 Å²	115	57.2 Å²	57.2	54%	0.537	30%	0.304	S	S	.	.	S	Bend	trans	-74.5	-32	177.6	-164.9	-179.4	7.4	0	0	113.1	K62 S125 L127	K62-Q119 WeakPolarHBondContact CD-O 3.47Å; K62-Q119 WeakPolarHBondContact CG-O 3.38Å; Q119-S125 PolarHBondContact N-O 3.43Å; Q119-L127 HydrophobicContact CB-CD1 3.81Å; Q119-L127 HydrophobicContact CB-CD2 4.09Å; Q119-L127 HydrophobicContact CB-CG 3.99Å; Q119-L127 HydrophobicContact CG-CD1 4.34Å
120	S	86.4	Confident	90.4	Very high	50 Å²	50	53 Å²	53	35%	0.35	29%	0.285	S	S	.	.	S	Bend	trans	-136.8	172.5	-176.3	75.1	0	0	0	0	110.4	S122 S125	S120-S122 PolarHBondContact O-N 3.5Å; S120-S122 PolarHBondContact OG-N 2.9Å; S120-S125 PolarHBondContact N-OG 2.87Å; S120-S125 VanDerWaalsContact N-OG 3.16Å; S120-S125 PolarHBondContact OG-OG 2.78Å
121	G	77.3	Confident	90.8	Very high	57 Å²	57	50.6 Å²	50.6	59%	0.588	27%	0.273	S	S	*	.	S	Bend	trans	-67.4	16.2	175.7	0	0	0	0	0	114.9
122	S	77.8	Confident	90.9	Very high	51 Å²	51	49.9 Å²	49.9	36%	0.357	27%	0.27	S	S	.	.	S	Bend	trans	-110	136.4	179.5	177.2	0	0	0	0	111.5	S120 R124 S125	S120-S122 PolarHBondContact O-N 3.5Å; S120-S122 PolarHBondContact OG-N 2.9Å; S122-R124 PolarHBondContact O-N 3.14Å; S122-R124 VanDerWaalsContact O-N 3.11Å; S122-R124 PolarHBondContact OG-N 3.27Å; S122-S125 PolarHBondContact O-N 2.65Å; S122-S125 PolarHBondContact O-OG 2.92Å
123	T	78.2	Confident	90.9	Very high	94 Å²	94	48.4 Å²	48.4	58%	0.577	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.2	176.5	54.9	0	0	0	0	113.8	L88	L88-T123 HydrophobicContact CD2-CG2 4.41Å
124	R	80	Confident	90.9	Very high	239 Å²	239	48.4 Å²	48.4	90%	0.902	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-13.1	176.6	-64.3	-174.3	179.5	177.1	0.1	114.1	S122	S122-R124 PolarHBondContact O-N 3.14Å; S122-R124 VanDerWaalsContact O-N 3.11Å; S122-R124 PolarHBondContact OG-N 3.27Å
125	S	84.3	Confident	91	Very high	23 Å²	23	47.5 Å²	47.5	16%	0.161	26%	0.257	C	S	.	.			trans	-102.9	55.6	-176.2	59.9	0	0	0	0	113.1	Y118 Q119 S120 S122	Y118-S125 CarbonylContact C-O 3.57Å; Y118-S125 WeakPolarHBondContact CA-O 3.25Å; Q119-S125 PolarHBondContact N-O 3.43Å; S120-S125 PolarHBondContact N-OG 2.87Å; S120-S125 VanDerWaalsContact N-OG 3.16Å; S120-S125 PolarHBondContact OG-OG 2.78Å; S122-S125 PolarHBondContact O-N 2.65Å; S122-S125 PolarHBondContact O-OG 2.92Å
126	V	92.1	Very high	91	Very high	64 Å²	64	47.4 Å²	47.4	39%	0.388	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.8	-178.6	-177.7	0	0	0	0	110.4	R116 Y117 Y118	R116-V126 HydrophobicContact CG-CG1 3.68Å; R116-V126 HydrophobicContact CG-CG2 4.32Å; Y117-V126 WeakPolarHBondContact O-CA 3.42Å; Y118-V126 HydrophobicContact CD1-CG2 3.93Å; Y118-V126 HydrophobicContact CE1-CG2 3.72Å
127	L	93.4	Very high	91.1	Very high	63 Å²	63	42.7 Å²	42.7	33%	0.33	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-23.7	177.8	-64.5	177.4	0	0	0	113.2	P58 G60 Y117 Q119	P58-L127 HydrophobicContact CB-CB 4Å; P58-L127 HydrophobicContact CG-CB 4.3Å; G60-L127 VanDerWaalsContact C-CD1 3.46Å; Y117-L127 PolarHBondContact O-N 3.47Å; Q119-L127 HydrophobicContact CB-CD1 3.81Å; Q119-L127 HydrophobicContact CB-CD2 4.09Å; Q119-L127 HydrophobicContact CB-CG 3.99Å; Q119-L127 HydrophobicContact CG-CD1 4.34Å
128	G	93.4	Very high	91.2	Very high	15 Å²	15	44 Å²	44	16%	0.155	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	161.3	178.7	0	0	0	0	0	111.6	Y117	Y117-G128 PolarHBondContact N-O 2.84Å
129	T	94.9	Very high	91.3	Very high	43 Å²	43	44.3 Å²	44.3	26%	0.264	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	112.7	174.5	-57.1	0	0	0	0	108.8	V115 R116 V131	V115-T129 CarbonylContact O-C 3.49Å; V115-T129 WeakPolarHBondContact O-CA 3.49Å; R116-T129 HydrophobicContact CB-CG2 4.4Å; R116-T129 WeakPolarHBondContact CG-OG1 3.39Å; R116-T129 PolarHBondContact NE-OG1 3.5Å; T129-V131 HydrophobicContact CG2-CG2 4.02Å
130	A	96.4	Very high	91.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.1	168	0	0	0	0	0	109.5	L33 D34 P35 S114 V115 Y117	L33-A130 HydrophobicContact CB-CB 3.84Å; D34-A130 WeakPolarHBondContact O-CA 3.39Å; P35-A130 HydrophobicContact CG-CB 4.46Å; S114-A130 CarbonylContact C-O 3.56Å; S114-A130 VanDerWaalsContact CA-O 3.23Å; S114-A130 WeakPolarHBondContact CA-O 3.34Å; V115-A130 PolarHBondContact N-O 2.65Å; V115-A130 PolarHBondContact O-N 2.81Å; Y117-A130 HydrophobicContact CE2-CB 4.27Å
131	V	96.6	Very high	92.1	Very high	19 Å²	19	37 Å²	37	12%	0.115	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.8	180	174	0	0	0	0	109.3	P38 Q39 K112 T129	P38-V131 HydrophobicContact CB-CB 4.29Å; P38-V131 HydrophobicContact CB-CG1 4.4Å; Q39-V131 PolarHBondContact N-O 2.91Å; K112-V131 HydrophobicContact CD-CG1 3.97Å; K112-V131 VanDerWaalsContact CE-CG1 3.44Å; K112-V131 HydrophobicContact CG-CG1 4.2Å; T129-V131 HydrophobicContact CG2-CG2 4.02Å
132	L	96.6	Very high	93.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.2	175	-154.8	74.4	0	0	0	108.5	L33 Q39 V41 L49 I99 K112 L113 L134	L33-L132 HydrophobicContact CD2-CD1 4.27Å; Q39-L132 HydrophobicContact CB-CD1 3.94Å; V41-L132 HydrophobicContact CB-CD1 4.47Å; V41-L132 HydrophobicContact CG2-CD1 3.62Å; V41-L132 HydrophobicContact CG2-CG 4.18Å; L49-L132 HydrophobicContact CD1-CD2 4.34Å; I99-L132 HydrophobicContact CD1-CD2 3.98Å; K112-L132 CarbonylContact C-O 3.57Å; K112-L132 VanDerWaalsContact CA-O 3.27Å; K112-L132 WeakPolarHBondContact CA-O 3.36Å; L113-L132 HydrophobicContact CB-CB 4.44Å; L113-L132 PolarHBondContact N-O 2.88Å; L113-L132 PolarHBondContact O-N 3.46Å; L132-L134 HydrophobicContact CD2-CD1 4.4Å; L132-L134 HydrophobicContact CD2-CD2 3.73Å; L132-L134 HydrophobicContact CD2-CG 4.15Å; L132-L134 HydrophobicContact CG-CD2 4.18Å; L132-L134 HydrophobicContact CG-CG 4.33Å
133	H	97.3	Very high	94.1	Very high	51 Å²	51	31.9 Å²	31.9	24%	0.236	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.5	164.4	-71.7	-85.7	0	0	0	108.7	Q39 S40 V41 K109 D111	Q39-H133 PolarHBondContact O-N 3.24Å; S40-H133 CarbonylContact C-O 3.6Å; S40-H133 WeakPolarHBondContact CA-O 3.37Å; V41-H133 PolarHBondContact N-O 3.3Å; K109-H133 HydrophobicContact CB-CB 3.9Å; K109-H133 HydrophobicContact CD-CB 4.29Å; K109-H133 HydrophobicContact CG-CB 3.96Å; D111-H133 CarbonylContact O-C 3.49Å; D111-H133 WeakPolarHBondContact O-CA 3.47Å
134	L	96.8	Very high	95.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.2	-172.8	-70.6	164	0	0	0	109.6	V41 L49 V72 I99 M101 D111 L113 L132	V41-L134 HydrophobicContact CB-CD2 4.15Å; V41-L134 HydrophobicContact CG1-CD2 4.44Å; V41-L134 WeakPolarHBondContact O-CA 3.38Å; L49-L134 HydrophobicContact CD1-CD2 3.78Å; V72-L134 HydrophobicContact CG1-CD1 3.96Å; V72-L134 HydrophobicContact CG2-CD1 3.66Å; I99-L134 HydrophobicContact CG2-CD1 4.2Å; M101-L134 HydrophobicContact CE-CB 4.1Å; M101-L134 HydrophobicContact SD-CB 3.7Å; M101-L134 HydrophobicContact SD-CD1 4.1Å; M101-L134 HydrophobicContact SD-CD2 4.37Å; M101-L134 HydrophobicContact SD-CG 4.28Å; D111-L134 HydrophobicContact CB-CB 3.94Å; D111-L134 PolarHBondContact N-O 3.05Å; D111-L134 PolarHBondContact O-N 2.9Å; L113-L134 HydrophobicContact CB-CD1 4.34Å; L132-L134 HydrophobicContact CD2-CD1 4.4Å; L132-L134 HydrophobicContact CD2-CD2 3.73Å; L132-L134 HydrophobicContact CD2-CG 4.15Å; L132-L134 HydrophobicContact CG-CD2 4.18Å; L132-L134 HydrophobicContact CG-CG 4.33Å
135	T	97.4	Very high	96	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.018	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.4	167.8	-54.8	0	0	0	0	106.5	V41 L42 H43 E108 K109 P212	V41-T135 PolarHBondContact O-N 2.78Å; V41-T135 VanDerWaalsContact O-N 3.09Å; L42-T135 CarbonylContact C-O 3.57Å; L42-T135 WeakPolarHBondContact CA-O 3.37Å; L42-T135 HydrophobicContact CD1-CG2 3.8Å; L42-T135 WeakPolarHBondContact CD1-O 3.49Å; H43-T135 PolarHBondContact N-O 3.22Å; E108-T135 HydrophobicContact CG-CG2 4.47Å; K109-T135 PolarHBondContact N-OG1 3.03Å; T135-P212 HydrophobicContact CG2-CG 3.79Å
136	A	96.5	Very high	96.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	139	176.7	0	0	0	0	0	111.5	H43 V45 M101 H103 A104 S105	H43-A136 CarbonylContact O-C 3.56Å; H43-A136 VanDerWaalsContact O-CA 3.27Å; H43-A136 WeakPolarHBondContact O-CA 3.21Å; V45-A136 HydrophobicContact CG2-CB 4.09Å; M101-A136 HydrophobicContact CB-CB 4.15Å; M101-A136 HydrophobicContact CE-CB 3.53Å; M101-A136 HydrophobicContact SD-CB 3.76Å; H103-A136 VanDerWaalsContact O-CB 3.26Å; H103-A136 WeakPolarHBondContact O-CB 3.29Å; A104-A136 WeakPolarHBondContact CA-O 3.38Å; S105-A136 PolarHBondContact N-O 3.21Å; S105-A136 PolarHBondContact OG-N 2.89Å
137	I	97.1	Very high	96.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.8	170.2	62.7	178.5	0	0	0	111	L42 H43 V44 V45 I139 R210 L215 L305	L42-I137 HydrophobicContact CD1-CD1 4.1Å; L42-I137 HydrophobicContact CD1-CG1 4.22Å; L42-I137 HydrophobicContact CD1-CG2 3.96Å; L42-I137 HydrophobicContact CD2-CD1 3.91Å; L42-I137 HydrophobicContact CG-CD1 4.09Å; L42-I137 HydrophobicContact CG-CG1 4.4Å; H43-I137 PolarHBondContact O-N 3.05Å; V44-I137 CarbonylContact C-O 3.57Å; V44-I137 VanDerWaalsContact CA-O 3.31Å; V44-I137 WeakPolarHBondContact CA-O 3.45Å; V44-I137 HydrophobicContact CG2-CG1 4.37Å; V45-I137 PolarHBondContact N-O 2.93Å; I137-I139 HydrophobicContact CD1-CD1 3.44Å; I137-I139 VanDerWaalsContact CD1-CD1 3.44Å; I137-I139 HydrophobicContact CD1-CG1 3.93Å; I137-I139 HydrophobicContact CG1-CD1 3.98Å; I137-I139 HydrophobicContact CG1-CG1 4.16Å; I137-R210 CarbonylContact C-O 3.51Å; I137-R210 WeakPolarHBondContact CA-O 3.28Å; I137-L215 HydrophobicContact CD1-CD2 3.77Å; I137-L305 HydrophobicContact CD1-CD1 4.25Å; I137-L305 HydrophobicContact CD1-CD2 3.9Å
138	E	95.9	Very high	97.1	Very high	27 Å²	27	19 Å²	19	13%	0.126	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.4	165.4	-64.5	158.5	-158.1	0	0	107.8	F17 V45 A104 T209 R210	F17-E138 HydrophobicContact CE2-CG 4.33Å; F17-E138 WeakPolarHBondContact CE2-OE1 3.36Å; F17-E138 VanDerWaalsContact CZ-OE1 3.26Å; F17-E138 WeakPolarHBondContact CZ-OE1 3.12Å; V45-E138 HydrophobicContact CB-CG 3.72Å; V45-E138 HydrophobicContact CG1-CG 4.12Å; V45-E138 HydrophobicContact CG2-CG 3.85Å; A104-E138 HydrophobicContact CB-CG 4.32Å; E138-T209 CarbonylContact O-C 3.55Å; E138-T209 VanDerWaalsContact O-CA 3.22Å; E138-T209 WeakPolarHBondContact O-CA 3.34Å; E138-R210 HydrophobicContact CB-CB 3.83Å; E138-R210 HydrophobicContact CG-CB 4.21Å; E138-R210 PolarHBondContact N-O 2.79Å; E138-R210 PolarHBondContact O-N 3.36Å; E138-R210 WeakPolarHBondContact OE2-CB 3.43Å; E138-R210 WeakPolarHBondContact OE2-CD 3.45Å; E138-R210 IonicContact OE2-NE 2.87Å; E138-R210 PolarHBondContact OE2-NE 3.18Å
139	I	95.9	Very high	97.2	Very high	15 Å²	15	20 Å²	20	8%	0.077	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	127.3	174.3	-60.3	162.6	0	0	0	106.5	V44 I137 L207 R208 T209 L221 L303 L305 F319	V44-I139 HydrophobicContact CG2-CD1 4.19Å; I137-I139 HydrophobicContact CD1-CD1 3.44Å; I137-I139 VanDerWaalsContact CD1-CD1 3.44Å; I137-I139 HydrophobicContact CD1-CG1 3.93Å; I137-I139 HydrophobicContact CG1-CD1 3.98Å; I137-I139 HydrophobicContact CG1-CG1 4.16Å; I139-L207 HydrophobicContact CG2-CD1 4.07Å; I139-R208 WeakPolarHBondContact CA-O 3.28Å; I139-T209 HydrophobicContact CG1-CG2 4.43Å; I139-L221 HydrophobicContact CD1-CD2 3.7Å; I139-L221 HydrophobicContact CG1-CD2 4.38Å; I139-L221 HydrophobicContact CG2-CD2 4.49Å; I139-L303 HydrophobicContact CG2-CD2 3.74Å; I139-L305 HydrophobicContact CD1-CB 4.14Å; I139-L305 HydrophobicContact CD1-CD1 4.31Å; I139-L305 HydrophobicContact CD1-CD2 3.92Å; I139-L305 HydrophobicContact CD1-CG 4.36Å; I139-F319 HydrophobicContact CB-CE1 4.13Å; I139-F319 HydrophobicContact CD1-CD1 4.4Å; I139-F319 HydrophobicContact CG2-CE1 4.2Å
140	S	97.5	Very high	97.4	Very high	11 Å²	11	23.4 Å²	23.4	8%	0.077	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	128.2	172	-156.4	0	0	0	0	109.6	D142 N154 K158 L207 R208 D321	S140-D142 WeakPolarHBondContact CB-OD1 3.29Å; S140-D142 PolarHBondContact OG-OD1 2.9Å; S140-D142 PolarHBondContact OG-OD2 2.86Å; S140-N154 VanDerWaalsContact OG-CB 3.29Å; S140-N154 WeakPolarHBondContact OG-CB 3.5Å; S140-N154 PolarHBondContact OG-OD1 2.83Å; S140-K158 PolarHBondContact OG-NZ 2.68Å; S140-L207 WeakPolarHBondContact O-CA 3.47Å; S140-R208 PolarHBondContact N-O 3.21Å; S140-R208 PolarHBondContact O-N 2.8Å; S140-D321 WeakPolarHBondContact CA-OD2 3.46Å
141	L	98.4	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.4	166	-173.7	68.7	0	0	0	107.8	K158 M205 L207 M223 I301 L303 D321 V323	L141-K158 WeakPolarHBondContact O-CD 3.24Å; L141-K158 WeakPolarHBondContact O-CE 3.32Å; L141-K158 PolarHBondContact O-NZ 3.28Å; L141-M205 HydrophobicContact CD1-CE 4.23Å; L141-M205 HydrophobicContact CD1-CG 3.71Å; L141-M205 HydrophobicContact CD1-SD 3.74Å; L141-M205 HydrophobicContact CD2-SD 3.81Å; L141-M205 HydrophobicContact CG-CG 4.08Å; L141-M205 HydrophobicContact CG-SD 3.89Å; L141-L207 HydrophobicContact CD1-CB 4.39Å; L141-M223 HydrophobicContact CD1-CE 4Å; L141-I301 HydrophobicContact CD2-CG2 4.28Å; L141-L303 HydrophobicContact CB-CB 4.33Å; L141-L303 HydrophobicContact CB-CD2 4.41Å; L141-L303 HydrophobicContact CD2-CB 4.09Å; L141-D321 HydrophobicContact CB-CB 4.44Å; L141-D321 PolarHBondContact N-OD2 3.11Å; L141-V323 HydrophobicContact CB-CG1 4.36Å; L141-V323 HydrophobicContact CD2-CG1 4.21Å; L141-V323 HydrophobicContact CD2-CG2 3.85Å; L141-V323 HydrophobicContact CG-CG1 4.06Å; L141-V323 HydrophobicContact CG-CG2 4.35Å; L141-V323 WeakPolarHBondContact O-CG1 3.49Å
142	D	98.8	Very high	97.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.8	-167.7	-63.4	-25.4	0	0	0	111.5	S140 V151 E152 N154 K158 M205 V206 R208	S140-D142 WeakPolarHBondContact CB-OD1 3.29Å; S140-D142 PolarHBondContact OG-OD1 2.9Å; S140-D142 PolarHBondContact OG-OD2 2.86Å; D142-V151 HydrophobicContact CB-CG1 3.81Å; D142-E152 WeakPolarHBondContact CB-O 3.31Å; D142-N154 WeakPolarHBondContact OD1-CA 3.31Å; D142-N154 PolarHBondContact OD1-N 3.38Å; D142-N154 VanDerWaalsContact OD1-N 3.12Å; D142-N154 PolarHBondContact OD2-N 2.82Å; D142-N154 VanDerWaalsContact OD2-N 3.14Å; D142-K158 IonicContact OD1-NZ 2.59Å; D142-K158 PolarHBondContact OD1-NZ 2.97Å; D142-M205 CarbonylContact O-C 3.34Å; D142-M205 WeakPolarHBondContact O-CA 3.3Å; D142-V206 PolarHBondContact N-O 2.92Å; D142-V206 PolarHBondContact O-N 2.77Å; D142-R208 VanDerWaalsContact CG-NH1 3.33Å; D142-R208 WeakPolarHBondContact OD2-CD 3.09Å; D142-R208 IonicContact OD2-CZ 2.73Å; D142-R208 IonicContact OD2-NH1 3.83Å; D142-R208 PolarHBondContact OD2-NH1 3.07Å
143	V	98.8	Very high	97.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.3	-179.2	-66.9	0	0	0	0	108.2	A145 K158 A170 M205 V323 F325	V143-A145 VanDerWaalsContact C-N 3.33Å; V143-A145 HydrophobicContact CG2-CB 4.36Å; V143-A145 PolarHBondContact O-N 2.81Å; V143-K158 HydrophobicContact CG2-CB 4.12Å; V143-A170 HydrophobicContact CB-CB 3.83Å; V143-A170 HydrophobicContact CG2-CB 3.73Å; V143-M205 HydrophobicContact CG1-CB 4.01Å; V143-M205 HydrophobicContact CG1-CG 3.78Å; V143-M205 HydrophobicContact CG1-SD 4.4Å; V143-V323 HydrophobicContact CG1-CB 3.84Å; V143-V323 HydrophobicContact CG1-CG1 3.93Å; V143-V323 HydrophobicContact CG1-CG2 3.87Å; V143-V323 HydrophobicContact CG2-CB 3.94Å; V143-V323 HydrophobicContact CG2-CG1 3.97Å; V143-F325 HydrophobicContact CB-CE1 4.5Å; V143-F325 HydrophobicContact CB-CZ 4.08Å; V143-F325 HydrophobicContact CG1-CE1 4.21Å; V143-F325 HydrophobicContact CG1-CE2 3.69Å; V143-F325 HydrophobicContact CG1-CZ 3.34Å
144	D	98.8	Very high	97.5	Very high	15 Å²	15	29.5 Å²	29.5	8%	0.08	16%	0.162	C	C	.	.			trans	-67.4	85.1	172	173.2	14.4	0	0	0	110	R147 D148 G149 V151 E152 A170	D144-R147 WeakPolarHBondContact OD1-CA 3.27Å; D144-R147 PolarHBondContact OD1-N 2.98Å; D144-D148 PolarHBondContact OD1-N 2.8Å; D144-D148 VanDerWaalsContact OD1-N 3.11Å; D144-G149 VanDerWaalsContact OD2-CA 3.24Å; D144-G149 WeakPolarHBondContact OD2-CA 2.97Å; D144-G149 PolarHBondContact OD2-N 3.19Å; D144-V151 HydrophobicContact CB-CG2 4.41Å; D144-E152 VanDerWaalsContact CA-OE2 3.25Å; D144-E152 WeakPolarHBondContact CA-OE2 3.37Å; D144-A170 WeakPolarHBondContact O-CA 3.28Å; D144-A170 WeakPolarHBondContact O-CB 3.39Å
145	A	98.6	Very high	97.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.			trans	-95.9	-14.5	-176	0	0	0	0	0	113.2	V143 E152 N155 K158 H168 G169	V143-A145 VanDerWaalsContact C-N 3.33Å; V143-A145 HydrophobicContact CG2-CB 4.36Å; V143-A145 PolarHBondContact O-N 2.81Å; A145-E152 WeakPolarHBondContact CA-OE1 2.97Å; A145-E152 VanDerWaalsContact CB-OE1 3.25Å; A145-E152 WeakPolarHBondContact CB-OE1 3.41Å; A145-E152 PolarHBondContact N-OE1 2.68Å; A145-E152 PolarHBondContact N-OE2 3.47Å; A145-N155 HydrophobicContact CB-CB 4.19Å; A145-K158 HydrophobicContact CB-CB 4.21Å; A145-H168 CarbonylContact O-C 3.56Å; A145-H168 VanDerWaalsContact O-CA 3.29Å; A145-H168 WeakPolarHBondContact O-CA 3.3Å; A145-G169 PolarHBondContact O-N 3.03Å
146	D	98.1	Very high	97.4	Very high	81 Å²	81	34.1 Å²	34.1	43%	0.433	19%	0.191	S	C	.	.	S	Bend	trans	-94.5	-4.3	171.7	65.3	16.8	0	0	0	113.9	E152	D146-E152 PolarHBondContact N-OE1 2.97Å
147	R	98.2	Very high	97.4	Very high	21 Å²	21	38.3 Å²	38.3	8%	0.079	21%	0.21	C	C	.	.	S	Bend	trans	70.4	38.2	166.3	-51.2	168.5	-176.9	162.7	-6.1	112.8	D144 W161 T162 H168 G169 I171 P394 W699	D144-R147 WeakPolarHBondContact OD1-CA 3.27Å; D144-R147 PolarHBondContact OD1-N 2.98Å; R147-W161 VanDerWaalsContact NH2-CZ2 3.26Å; R147-T162 PolarHBondContact NH2-O 3.42Å; R147-H168 VanDerWaalsContact NH2-C 3.28Å; R147-H168 PolarHBondContact NH2-O 2.93Å; R147-G169 PolarHBondContact NE-O 3.4Å; R147-I171 HydrophobicContact CG-CD1 4.3Å; R147-P394 HydrophobicContact CB-CG 3.69Å; R147-P394 HydrophobicContact CG-CG 4.44Å; R147-P394 WeakPolarHBondContact O-CB 3.49Å; R147-W699 VanDerWaalsContact CD-CD1 3.45Å
148	D	97.3	Very high	97.4	Very high	97 Å²	97	38.5 Å²	38.5	52%	0.519	21%	0.211	S	C	.	.	S	Bend	trans	-100.8	-1.2	177.6	83.6	-4.9	0	0	0	113.9	D144 I150	D144-D148 PolarHBondContact OD1-N 2.8Å; D144-D148 VanDerWaalsContact OD1-N 3.11Å; D148-I150 WeakPolarHBondContact OD1-CA 3.47Å; D148-I150 VanDerWaalsContact OD1-CB 3.27Å; D148-I150 WeakPolarHBondContact OD1-CB 3.45Å; D148-I150 PolarHBondContact OD1-N 3.21Å
149	G	96.4	Very high	97.5	Very high	36 Å²	36	41.1 Å²	41.1	37%	0.371	22%	0.223	S	C	.	.	S	Bend	trans	89.2	3.3	-178.1	0	0	0	0	0	114	D144	D144-G149 VanDerWaalsContact OD2-CA 3.24Å; D144-G149 WeakPolarHBondContact OD2-CA 2.97Å; D144-G149 PolarHBondContact OD2-N 3.19Å
150	I	97.3	Very high	97.6	Very high	113 Å²	113	42.6 Å²	42.6	58%	0.579	24%	0.235	S	C	*	.	S	Bend	trans	-124.4	132.8	-178.4	-54.2	175.9	0	0	0	109.5	D148 E152	D148-I150 WeakPolarHBondContact OD1-CA 3.47Å; D148-I150 VanDerWaalsContact OD1-CB 3.27Å; D148-I150 WeakPolarHBondContact OD1-CB 3.45Å; D148-I150 PolarHBondContact OD1-N 3.21Å; I150-E152 PolarHBondContact O-N 3.03Å; I150-E152 VanDerWaalsContact O-N 3.08Å
151	V	98.6	Very high	97.6	Very high	14 Å²	14	43.4 Å²	43.4	9%	0.085	24%	0.236	C	C	.	.			trans	-76.4	100.7	177	179.7	0	0	0	0	111	D142 D144 L204 V206 R208	D142-V151 HydrophobicContact CB-CG1 3.81Å; D144-V151 HydrophobicContact CB-CG2 4.41Å; V151-L204 HydrophobicContact CG2-CB 3.85Å; V151-L204 HydrophobicContact CG2-CD2 3.88Å; V151-L204 HydrophobicContact CG2-CG 3.88Å; V151-L204 VanDerWaalsContact CG2-O 3.28Å; V151-L204 WeakPolarHBondContact CG2-O 3.47Å; V151-V206 HydrophobicContact CB-CG2 3.98Å; V151-V206 HydrophobicContact CG1-CB 4.03Å; V151-V206 HydrophobicContact CG1-CG2 3.76Å; V151-V206 HydrophobicContact CG2-CG2 4.23Å; V151-R208 PolarHBondContact O-NH2 2.84Å
152	E	98.1	Very high	97.6	Very high	35 Å²	35	46 Å²	46	16%	0.164	25%	0.252	C	S	.	.			trans	-68.6	165	176.8	77	-79.6	-163.3	0	0	112.8	D142 D144 A145 D146 I150 N155 R208	D142-E152 WeakPolarHBondContact CB-O 3.31Å; D144-E152 VanDerWaalsContact CA-OE2 3.25Å; D144-E152 WeakPolarHBondContact CA-OE2 3.37Å; A145-E152 WeakPolarHBondContact CA-OE1 2.97Å; A145-E152 VanDerWaalsContact CB-OE1 3.25Å; A145-E152 WeakPolarHBondContact CB-OE1 3.41Å; A145-E152 PolarHBondContact N-OE1 2.68Å; A145-E152 PolarHBondContact N-OE2 3.47Å; D146-E152 PolarHBondContact N-OE1 2.97Å; I150-E152 PolarHBondContact O-N 3.03Å; I150-E152 VanDerWaalsContact O-N 3.08Å; E152-N155 HydrophobicContact CG-CB 3.68Å; E152-N155 WeakPolarHBondContact OE1-CB 3.27Å; E152-N155 VanDerWaalsContact OE1-CG 3.27Å; E152-N155 PolarHBondContact OE1-ND2 3.36Å; E152-R208 PolarHBondContact O-NH1 3.46Å
153	I	97.4	Very high	97.5	Very high	99 Å²	99	49 Å²	49	51%	0.508	26%	0.263	S	S	.	.	S	Bend	trans	-90.1	115.7	-176.1	-59.5	174	0	0	0	109.6	N155	I153-N155 PolarHBondContact O-N 3.36Å
154	N	96.3	Very high	97.5	Very high	52 Å²	52	49.1 Å²	49.1	28%	0.278	27%	0.265	S	S	.	.	S	Bend	trans	47.5	51.3	171.5	-164.7	26.1	0	0	0	114.6	S140 D142 K158	S140-N154 VanDerWaalsContact OG-CB 3.29Å; S140-N154 WeakPolarHBondContact OG-CB 3.5Å; S140-N154 PolarHBondContact OG-OD1 2.83Å; D142-N154 WeakPolarHBondContact OD1-CA 3.31Å; D142-N154 PolarHBondContact OD1-N 3.38Å; D142-N154 VanDerWaalsContact OD1-N 3.12Å; D142-N154 PolarHBondContact OD2-N 2.82Å; D142-N154 VanDerWaalsContact OD2-N 3.14Å; N154-K158 PolarHBondContact OD1-NZ 2.84Å
155	N	96.9	Very high	97.4	Very high	22 Å²	22	52 Å²	52	12%	0.118	29%	0.285	C	S	.	.			trans	-54.6	127.3	175.3	-173.7	-38.5	0	0	0	110.2	A145 E152 I153 H157 K158	A145-N155 HydrophobicContact CB-CB 4.19Å; E152-N155 HydrophobicContact CG-CB 3.68Å; E152-N155 WeakPolarHBondContact OE1-CB 3.27Å; E152-N155 VanDerWaalsContact OE1-CG 3.27Å; E152-N155 PolarHBondContact OE1-ND2 3.36Å; I153-N155 PolarHBondContact O-N 3.36Å; N155-H157 PolarHBondContact O-N 3.37Å; N155-H157 WeakPolarHBondContact OD1-CB 3.36Å; N155-H157 PolarHBondContact OD1-N 3.17Å; N155-K158 HydrophobicContact CB-CB 4.42Å; N155-K158 WeakPolarHBondContact O-CB 3.22Å; N155-K158 WeakPolarHBondContact O-CD 3.44Å; N155-K158 VanDerWaalsContact O-CG 3.23Å; N155-K158 WeakPolarHBondContact O-CG 3.14Å; N155-K158 PolarHBondContact O-N 2.91Å
156	P	94.3	Very high	97.2	Very high	78 Å²	78	59.5 Å²	59.5	51%	0.506	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.5	-177.9	26.6	-36.6	0	0	0	113.8
157	H	96.6	Very high	97.2	Very high	88 Å²	88	56.3 Å²	56.3	41%	0.407	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-1.8	-176.1	-61.4	-58.8	0	0	0	114.4	N155 E159 S160 H168	N155-H157 PolarHBondContact O-N 3.37Å; N155-H157 WeakPolarHBondContact OD1-CB 3.36Å; N155-H157 PolarHBondContact OD1-N 3.17Å; H157-E159 PolarHBondContact O-N 3.21Å; H157-S160 PolarHBondContact O-N 3.25Å; H157-S160 VanDerWaalsContact O-O 3.13Å; H157-S160 PolarHBondContact O-OG 2.99Å; H157-S160 VanDerWaalsContact O-OG 3.1Å; H157-H168 HydrophobicContact CB-CB 4Å; H157-H168 VanDerWaalsContact CB-CD2 3.46Å; H157-H168 WeakPolarHBondContact CB-CD2 3.38Å; H157-H168 VanDerWaalsContact CB-CG 3.48Å; H157-H168 AromaticContact CG-CE1 3.85Å; H157-H168 AromaticContact CG-ND1 3.77Å; H157-H168 AromaticContact ND1-CE1 3.79Å
158	K	97.4	Very high	97.2	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.017	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.7	-177.5	72.6	-171.5	-173.8	-179.5	0	115.1	S140 L141 D142 V143 A145 N154 N155 S160 D321 V323 V324	S140-K158 PolarHBondContact OG-NZ 2.68Å; L141-K158 WeakPolarHBondContact O-CD 3.24Å; L141-K158 WeakPolarHBondContact O-CE 3.32Å; L141-K158 PolarHBondContact O-NZ 3.28Å; D142-K158 IonicContact OD1-NZ 2.59Å; D142-K158 PolarHBondContact OD1-NZ 2.97Å; V143-K158 HydrophobicContact CG2-CB 4.12Å; A145-K158 HydrophobicContact CB-CB 4.21Å; N154-K158 PolarHBondContact OD1-NZ 2.84Å; N155-K158 HydrophobicContact CB-CB 4.42Å; N155-K158 WeakPolarHBondContact O-CB 3.22Å; N155-K158 WeakPolarHBondContact O-CD 3.44Å; N155-K158 VanDerWaalsContact O-CG 3.23Å; N155-K158 WeakPolarHBondContact O-CG 3.14Å; N155-K158 PolarHBondContact O-N 2.91Å; K158-S160 VanDerWaalsContact C-N 3.28Å; K158-S160 PolarHBondContact O-N 3.26Å; K158-D321 VanDerWaalsContact CE-OD1 3.3Å; K158-D321 WeakPolarHBondContact CE-OD1 3.46Å; K158-D321 WeakPolarHBondContact CE-OD2 3.47Å; K158-D321 IonicContact NZ-OD1 2.81Å; K158-D321 IonicContact NZ-OD2 3.93Å; K158-D321 PolarHBondContact NZ-OD2 3.48Å; K158-V323 HydrophobicContact CB-CG1 4.41Å; K158-V323 HydrophobicContact CD-CG1 4.14Å; K158-V323 HydrophobicContact CG-CG1 4.22Å; K158-V323 CarbonylContact O-C 3.35Å; K158-V323 WeakPolarHBondContact O-CA 3.05Å; K158-V324 PolarHBondContact O-N 3.42Å
159	E	97.4	Very high	97.2	Very high	82 Å²	82	52.1 Å²	52.1	38%	0.383	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	6.8	179.4	65.7	-178.8	-156.5	0	0	114	R21 H157 K322 V324	R21-E159 IonicContact CZ-OE2 2.8Å; R21-E159 IonicContact NH1-OE1 3.86Å; R21-E159 IonicContact NH1-OE2 2.8Å; R21-E159 PolarHBondContact NH1-OE2 2.82Å; R21-E159 IonicContact NH2-OE2 3.44Å; H157-E159 PolarHBondContact O-N 3.21Å; E159-K322 HydrophobicContact CB-CB 4.33Å; E159-K322 HydrophobicContact CB-CD 4.34Å; E159-K322 HydrophobicContact CB-CG 4.32Å; E159-V324 WeakPolarHBondContact O-CG2 3.43Å
160	S	97.5	Very high	97.3	Very high	45 Å²	45	50.4 Å²	50.4	32%	0.315	27%	0.271	S	S	.	.			trans	-150	167.7	-176.8	64.7	0	0	0	0	111.6	H157 K158 H168 G169	H157-S160 PolarHBondContact O-N 3.25Å; H157-S160 VanDerWaalsContact O-O 3.13Å; H157-S160 PolarHBondContact O-OG 2.99Å; H157-S160 VanDerWaalsContact O-OG 3.1Å; K158-S160 VanDerWaalsContact C-N 3.28Å; K158-S160 PolarHBondContact O-N 3.26Å; S160-H168 PolarHBondContact OG-NE2 3.42Å; S160-G169 WeakPolarHBondContact O-CA 3.46Å
161	W	98.3	Very high	97.4	Very high	29 Å²	29	45.3 Å²	45.3	11%	0.11	25%	0.245	C	C	.	.			trans	-133.4	134.1	178.4	-165.6	98.2	0	0	0	110.6	R147 W163 H168 L298 V324 R326 W698 W699	R147-W161 VanDerWaalsContact NH2-CZ2 3.26Å; W161-W163 HydrophobicContact CH2-CB 4.17Å; W161-W163 AromaticContact CH2-CD2 3.2Å; W161-W163 HydrophobicContact CH2-CD2 3.2Å; W161-W163 AromaticContact CH2-CE2 3.41Å; W161-W163 VanDerWaalsContact CH2-CE2 3.41Å; W161-W163 AromaticContact CH2-CE3 3.47Å; W161-W163 HydrophobicContact CH2-CE3 3.47Å; W161-W163 VanDerWaalsContact CH2-CE3 3.47Å; W161-W163 AromaticContact CH2-CG 3.59Å; W161-W163 HydrophobicContact CH2-CG 3.59Å; W161-W163 HydrophobicContact CH2-CH2 4.05Å; W161-W163 AromaticContact CH2-CZ2 3.83Å; W161-W163 HydrophobicContact CH2-CZ2 3.83Å; W161-W163 AromaticContact CH2-CZ3 3.89Å; W161-W163 HydrophobicContact CH2-CZ3 3.89Å; W161-W163 AromaticContact CH2-NE1 3.97Å; W161-W163 HydrophobicContact CZ2-CD2 4.49Å; W161-W163 HydrophobicContact CZ3-CB 4.03Å; W161-W163 AromaticContact CZ3-CD1 3.41Å; W161-W163 VanDerWaalsContact CZ3-CD1 3.41Å; W161-W163 AromaticContact CZ3-CD2 3.35Å; W161-W163 HydrophobicContact CZ3-CD2 3.35Å; W161-W163 AromaticContact CZ3-CE2 3.28Å; W161-W163 HydrophobicContact CZ3-CE3 4.12Å; W161-W163 AromaticContact CZ3-CG 3.33Å; W161-W163 HydrophobicContact CZ3-CG 3.33Å; W161-W163 AromaticContact CZ3-CZ2 3.96Å; W161-W163 HydrophobicContact CZ3-CZ2 3.96Å; W161-W163 VanDerWaalsContact CZ3-N 3.26Å; W161-W163 AromaticContact CZ3-NE1 3.33Å; W161-W163 VanDerWaalsContact CZ3-NE1 3.33Å; W161-H168 CarbonylContact C-O 3.59Å; W161-H168 WeakPolarHBondContact CA-O 3.39Å; W161-L298 HydrophobicContact CB-CD2 3.87Å; W161-L298 HydrophobicContact CG-CD2 4.09Å; W161-V324 HydrophobicContact CB-CG1 4.12Å; W161-R326 HydrophobicContact CD2-CB 4.03Å; W161-R326 HydrophobicContact CG-CB 4Å; W161-R326 HydrophobicContact CZ2-CB 4.34Å; W161-R326 VanDerWaalsContact CZ2-CD 3.47Å; W161-R326 HydrophobicContact CZ2-CG 4.44Å; W161-R326 VanDerWaalsContact NE1-CB 3.27Å; W161-W698 HydrophobicContact CZ2-CH2 4.38Å; W161-W698 HydrophobicContact CZ2-CZ3 4.15Å; W161-W699 HydrophobicContact CZ2-CB 4.37Å
162	T	98.1	Very high	97.4	Very high	53 Å²	53	44.7 Å²	44.7	33%	0.325	24%	0.241	S	C	.	.			trans	-137.2	142.7	178.4	56.6	0	0	0	0	112.5	R147 G167 H168	R147-T162 PolarHBondContact NH2-O 3.42Å; T162-G167 WeakPolarHBondContact O-CA 3.19Å; T162-G167 VanDerWaalsContact OG1-CA 3.27Å; T162-G167 WeakPolarHBondContact OG1-CA 3.47Å; T162-H168 PolarHBondContact N-O 3.01Å; T162-H168 PolarHBondContact O-N 2.9Å; T162-H168 PolarHBondContact OG1-CE1 3.26Å; T162-H168 VanDerWaalsContact OG1-CE1 3.29Å; T162-H168 PolarHBondContact OG1-N 3.16Å; T162-H168 PolarHBondContact OG1-ND1 3.1Å
163	W	98.1	Very high	97.4	Very high	63 Å²	63	43 Å²	43	24%	0.239	23%	0.233	C	C	.	.			trans	-73.1	159.5	177.3	-71.4	103.4	0	0	0	111.5	W161 V490 W698 L701 L703	W161-W163 HydrophobicContact CH2-CB 4.17Å; W161-W163 AromaticContact CH2-CD2 3.2Å; W161-W163 HydrophobicContact CH2-CD2 3.2Å; W161-W163 AromaticContact CH2-CE2 3.41Å; W161-W163 VanDerWaalsContact CH2-CE2 3.41Å; W161-W163 AromaticContact CH2-CE3 3.47Å; W161-W163 HydrophobicContact CH2-CE3 3.47Å; W161-W163 VanDerWaalsContact CH2-CE3 3.47Å; W161-W163 AromaticContact CH2-CG 3.59Å; W161-W163 HydrophobicContact CH2-CG 3.59Å; W161-W163 HydrophobicContact CH2-CH2 4.05Å; W161-W163 AromaticContact CH2-CZ2 3.83Å; W161-W163 HydrophobicContact CH2-CZ2 3.83Å; W161-W163 AromaticContact CH2-CZ3 3.89Å; W161-W163 HydrophobicContact CH2-CZ3 3.89Å; W161-W163 AromaticContact CH2-NE1 3.97Å; W161-W163 HydrophobicContact CZ2-CD2 4.49Å; W161-W163 HydrophobicContact CZ3-CB 4.03Å; W161-W163 AromaticContact CZ3-CD1 3.41Å; W161-W163 VanDerWaalsContact CZ3-CD1 3.41Å; W161-W163 AromaticContact CZ3-CD2 3.35Å; W161-W163 HydrophobicContact CZ3-CD2 3.35Å; W161-W163 AromaticContact CZ3-CE2 3.28Å; W161-W163 HydrophobicContact CZ3-CE3 4.12Å; W161-W163 AromaticContact CZ3-CG 3.33Å; W161-W163 HydrophobicContact CZ3-CG 3.33Å; W161-W163 AromaticContact CZ3-CZ2 3.96Å; W161-W163 HydrophobicContact CZ3-CZ2 3.96Å; W161-W163 VanDerWaalsContact CZ3-N 3.26Å; W161-W163 AromaticContact CZ3-NE1 3.33Å; W161-W163 VanDerWaalsContact CZ3-NE1 3.33Å; W163-V490 HydrophobicContact CH2-CG1 3.95Å; W163-V490 HydrophobicContact CZ3-CG1 3.99Å; W163-W698 AromaticContact CH2-CE3 3.9Å; W163-W698 HydrophobicContact CH2-CE3 3.9Å; W163-W698 AromaticContact CH2-CZ3 3.65Å; W163-W698 HydrophobicContact CH2-CZ3 3.65Å; W163-W698 AromaticContact CZ3-CE3 3.65Å; W163-W698 HydrophobicContact CZ3-CE3 3.65Å; W163-W698 AromaticContact CZ3-CZ3 3.7Å; W163-W698 HydrophobicContact CZ3-CZ3 3.7Å; W163-L701 WeakPolarHBondContact CB-O 3.5Å; W163-L701 HydrophobicContact CE3-CB 4.04Å; W163-L701 HydrophobicContact CZ3-CB 4.34Å; W163-L703 HydrophobicContact CD2-CB 4.34Å; W163-L703 HydrophobicContact CD2-CD1 3.65Å; W163-L703 HydrophobicContact CD2-CG 3.91Å; W163-L703 HydrophobicContact CE3-CD1 3.99Å; W163-L703 HydrophobicContact CE3-CG 4.14Å; W163-L703 HydrophobicContact CG-CB 4.14Å; W163-L703 HydrophobicContact CG-CD1 4.26Å; W163-L703 HydrophobicContact CG-CG 4.23Å; W163-L703 HydrophobicContact CH2-CD1 3.96Å; W163-L703 HydrophobicContact CZ2-CD1 3.6Å; W163-L703 HydrophobicContact CZ3-CD1 4.12Å
164	G	97.4	Very high	97.5	Very high	4 Å²	4	38.3 Å²	38.3	4%	0.041	21%	0.209	C	C	.	.	S	Bend	trans	101.1	171.2	166.1	0	0	0	0	0	114.6	N166 G167 W699 L701	G164-N166 PolarHBondContact O-N 2.99Å; G164-G167 WeakPolarHBondContact O-CA 3.18Å; G164-G167 PolarHBondContact O-N 2.97Å; G164-W699 PolarHBondContact N-O 3.37Å; G164-L701 VanDerWaalsContact CA-O 3.28Å; G164-L701 WeakPolarHBondContact CA-O 3.42Å; G164-L701 PolarHBondContact N-O 2.97Å
165	P	96.5	Very high	97.6	Very high	77 Å²	77	35.9 Å²	35.9	50%	0.5	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.7	-176.2	27.1	-35.7	0	0	0	114
166	N	96	Very high	97.7	Very high	157 Å²	157	34.9 Å²	34.9	84%	0.84	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	10	171.6	-56.8	-55.2	0	0	0	111.8	G164	G164-N166 PolarHBondContact O-N 2.99Å
167	G	96.7	Very high	97.9	Very high	13 Å²	13	31.2 Å²	31.2	13%	0.134	17%	0.167	C	C	.	.			trans	-76.5	168.3	178.5	0	0	0	0	0	111.7	T162 G164	T162-G167 WeakPolarHBondContact O-CA 3.19Å; T162-G167 VanDerWaalsContact OG1-CA 3.27Å; T162-G167 WeakPolarHBondContact OG1-CA 3.47Å; G164-G167 WeakPolarHBondContact O-CA 3.18Å; G164-G167 PolarHBondContact O-N 2.97Å
168	H	97.9	Very high	97.9	Very high	30 Å²	30	27 Å²	27	14%	0.139	15%	0.148	C	C	.	.			trans	-145.1	172.2	-173.8	58.6	-110.4	0	0	0	111.4	A145 R147 H157 S160 W161 T162	A145-H168 CarbonylContact O-C 3.56Å; A145-H168 VanDerWaalsContact O-CA 3.29Å; A145-H168 WeakPolarHBondContact O-CA 3.3Å; R147-H168 VanDerWaalsContact NH2-C 3.28Å; R147-H168 PolarHBondContact NH2-O 2.93Å; H157-H168 HydrophobicContact CB-CB 4Å; H157-H168 VanDerWaalsContact CB-CD2 3.46Å; H157-H168 WeakPolarHBondContact CB-CD2 3.38Å; H157-H168 VanDerWaalsContact CB-CG 3.48Å; H157-H168 AromaticContact CG-CE1 3.85Å; H157-H168 AromaticContact CG-ND1 3.77Å; H157-H168 AromaticContact ND1-CE1 3.79Å; S160-H168 PolarHBondContact OG-NE2 3.42Å; W161-H168 CarbonylContact C-O 3.59Å; W161-H168 WeakPolarHBondContact CA-O 3.39Å; T162-H168 PolarHBondContact N-O 3.01Å; T162-H168 PolarHBondContact O-N 2.9Å; T162-H168 PolarHBondContact OG1-CE1 3.26Å; T162-H168 VanDerWaalsContact OG1-CE1 3.29Å; T162-H168 PolarHBondContact OG1-N 3.16Å; T162-H168 PolarHBondContact OG1-ND1 3.1Å
169	G	97.9	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.			trans	104.5	143.6	-179.2	0	0	0	0	0	111.2	A145 R147 S160	A145-G169 PolarHBondContact O-N 3.03Å; R147-G169 PolarHBondContact NE-O 3.4Å; S160-G169 WeakPolarHBondContact O-CA 3.46Å
170	A	98.8	Very high	97.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	155.8	-172	0	0	0	0	0	112.6	V143 D144 V324 F325 R326	V143-A170 HydrophobicContact CB-CB 3.83Å; V143-A170 HydrophobicContact CG2-CB 3.73Å; D144-A170 WeakPolarHBondContact O-CA 3.28Å; D144-A170 WeakPolarHBondContact O-CB 3.39Å; A170-V324 PolarHBondContact N-O 3.08Å; A170-F325 HydrophobicContact CB-CD1 3.5Å; A170-F325 VanDerWaalsContact CB-CD1 3.5Å; A170-F325 HydrophobicContact CB-CE1 3.54Å; A170-F325 HydrophobicContact CB-CG 4.2Å; A170-F325 HydrophobicContact CB-CZ 4.28Å; A170-F325 CarbonylContact O-C 3.54Å; A170-F325 WeakPolarHBondContact O-CA 3.26Å; A170-R326 PolarHBondContact O-N 2.95Å
171	I	98.9	Very high	96.6	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.6	-179.6	-67.7	168.6	0	0	0	108.7	R147 S203 R326 P394 W698 W699	R147-I171 HydrophobicContact CG-CD1 4.3Å; I171-S203 PolarHBondContact O-OG 2.92Å; I171-R326 CarbonylContact C-O 3.58Å; I171-R326 WeakPolarHBondContact CA-O 3.44Å; I171-P394 HydrophobicContact CD1-CG 4.3Å; I171-W698 HydrophobicContact CD1-CH2 4.38Å; I171-W698 HydrophobicContact CD1-CZ2 3.99Å; I171-W698 HydrophobicContact CG1-CH2 4.28Å; I171-W698 HydrophobicContact CG1-CZ2 4.09Å; I171-W698 HydrophobicContact CG2-CZ2 3.76Å; I171-W699 HydrophobicContact CD1-CB 3.78Å; I171-W699 HydrophobicContact CD1-CD2 3.38Å; I171-W699 HydrophobicContact CD1-CE3 3.4Å; I171-W699 VanDerWaalsContact CD1-CE3 3.4Å; I171-W699 HydrophobicContact CD1-CG 3.6Å; I171-W699 HydrophobicContact CD1-CZ3 4.08Å
172	L	98.8	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.7	-179.2	-177.8	61.6	0	0	0	110	V233 V285 I299 F325 R326 V327 S328	L172-V233 HydrophobicContact CD2-CG2 4.1Å; L172-V285 HydrophobicContact CD1-CB 4.09Å; L172-V285 HydrophobicContact CD1-CG1 3.83Å; L172-V285 WeakPolarHBondContact CD1-O 3.42Å; L172-V285 HydrophobicContact CD2-CG1 4.07Å; L172-I299 HydrophobicContact CD2-CD1 3.84Å; L172-F325 HydrophobicContact CB-CB 4.05Å; L172-F325 HydrophobicContact CB-CD1 3.97Å; L172-F325 HydrophobicContact CB-CG 4.32Å; L172-F325 HydrophobicContact CD2-CB 4.45Å; L172-R326 PolarHBondContact N-O 3.44Å; L172-V327 HydrophobicContact CD2-CG2 4.36Å; L172-V327 CarbonylContact O-C 3.44Å; L172-V327 VanDerWaalsContact O-CA 3.27Å; L172-V327 WeakPolarHBondContact O-CA 3.48Å; L172-S328 PolarHBondContact O-N 3.43Å
173	L	98.9	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.			trans	-83.5	149.6	171.8	-63	-179	0	0	0	110.6	G287 I391 H396 F398	L173-G287 VanDerWaalsContact O-CA 3.31Å; L173-G287 WeakPolarHBondContact O-CA 3.24Å; L173-G287 PolarHBondContact O-N 3.18Å; L173-I391 HydrophobicContact CB-CD1 3.99Å; L173-I391 HydrophobicContact CD2-CB 4.1Å; L173-I391 HydrophobicContact CD2-CD1 3.91Å; L173-I391 HydrophobicContact CD2-CG1 3.92Å; L173-I391 HydrophobicContact CG-CD1 4.38Å; L173-H396 HydrophobicContact CD1-CB 4.09Å; L173-F398 HydrophobicContact CD1-CD1 4.48Å; L173-F398 HydrophobicContact CD1-CE1 3.92Å
174	V	98.9	Very high	94.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-78.8	121.7	163.1	-174.3	0	0	0	0	107.1	C176 G287 F290 V327 I391	V174-C176 HydrophobicContact CG1-CB 4Å; V174-C176 PolarHBondContact O-N 2.8Å; V174-C176 PolarHBondContact O-SG 3.07Å; V174-C176 VanDerWaalsContact O-SG 3.34Å; V174-G287 WeakPolarHBondContact CA-O 3.3Å; V174-F290 HydrophobicContact CB-CD2 4.16Å; V174-F290 HydrophobicContact CB-CE1 4.36Å; V174-F290 HydrophobicContact CB-CE2 3.82Å; V174-F290 HydrophobicContact CB-CZ 3.93Å; V174-F290 HydrophobicContact CG1-CD2 4.04Å; V174-F290 HydrophobicContact CG1-CE2 3.82Å; V174-F290 HydrophobicContact CG1-CZ 4.41Å; V174-F290 HydrophobicContact CG2-CB 4.45Å; V174-F290 HydrophobicContact CG2-CD1 3.91Å; V174-F290 HydrophobicContact CG2-CD2 3.87Å; V174-F290 HydrophobicContact CG2-CE1 4.06Å; V174-F290 HydrophobicContact CG2-CE2 3.99Å; V174-F290 HydrophobicContact CG2-CG 3.82Å; V174-F290 HydrophobicContact CG2-CZ 4.08Å; V174-V327 HydrophobicContact CG2-CG1 3.39Å; V174-I391 WeakPolarHBondContact O-CD1 3.27Å
175	N	98.5	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.			trans	-80.6	66.3	-176.1	-168.1	24.4	0	0	0	111.2	D177 D187 N188 D198 D201 E286 G287	N175-D177 PolarHBondContact OD1-OD1 2.88Å; N175-D187 WeakPolarHBondContact ND2-CB 3.48Å; N175-N188 HydrophobicContact CB-CB 4.26Å; N175-N188 WeakPolarHBondContact O-CB 3.48Å; N175-N188 VanDerWaalsContact O-CG 3.22Å; N175-N188 PolarHBondContact O-N 3.14Å; N175-N188 PolarHBondContact O-OD1 2.84Å; N175-D198 PolarHBondContact ND2-OD1 3.48Å; N175-D198 PolarHBondContact OD1-OD1 3.04Å; N175-D201 WeakPolarHBondContact OD1-CB 3.47Å; N175-E286 HydrophobicContact CB-CB 3.93Å; N175-E286 WeakPolarHBondContact CB-OE2 3.47Å; N175-E286 PolarHBondContact ND2-OE2 3.22Å; N175-G287 PolarHBondContact N-O 3.17Å
176	C	98.4	Very high	94.5	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	19%	0.189	C	C	.	.			trans	-104.3	6.5	-166.2	57.9	0	0	0	0	114	V174 F290 L419 G424 Y425	V174-C176 HydrophobicContact CG1-CB 4Å; V174-C176 PolarHBondContact O-N 2.8Å; V174-C176 PolarHBondContact O-SG 3.07Å; V174-C176 VanDerWaalsContact O-SG 3.34Å; C176-F290 HydrophobicContact CB-CE2 4.43Å; C176-L419 WeakPolarHBondContact O-CD1 3.34Å; C176-G424 CarbonylContact O-C 3.57Å; C176-G424 VanDerWaalsContact O-CA 3.23Å; C176-G424 WeakPolarHBondContact O-CA 3.38Å; C176-Y425 WeakPolarHBondContact CB-O 3.5Å; C176-Y425 PolarHBondContact O-N 2.81Å
177	D	97.9	Very high	94.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-88.8	-176.6	169.6	79.3	-49.7	0	0	0	110.6	N175 P186 D187 F398 G420 D422	N175-D177 PolarHBondContact OD1-OD1 2.88Å; D177-P186 CarbonylContact O-C 3.56Å; D177-P186 VanDerWaalsContact O-CA 3.26Å; D177-P186 WeakPolarHBondContact O-CA 3.44Å; D177-D187 PolarHBondContact O-N 2.83Å; D177-F398 HydrophobicContact CB-CD2 4.49Å; D177-F398 HydrophobicContact CB-CE2 4.09Å; D177-F398 HydrophobicContact CB-CZ 4.44Å; D177-G420 WeakPolarHBondContact CB-O 3.46Å; D177-D422 PolarHBondContact OD2-N 2.98Å
178	A	97	Very high	94.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.			trans	-137.2	104.7	-175.5	0	0	0	0	0	111.9	K180 S185 L419 G420 P421	A178-K180 VanDerWaalsContact C-N 3.26Å; A178-K180 PolarHBondContact O-N 2.8Å; A178-S185 VanDerWaalsContact CB-O 3.3Å; A178-S185 WeakPolarHBondContact CB-O 3.32Å; A178-L419 HydrophobicContact CB-CD1 3.71Å; A178-L419 HydrophobicContact CB-CD2 4.17Å; A178-L419 HydrophobicContact CB-CG 3.66Å; A178-G420 PolarHBondContact N-O 3.11Å; A178-G420 VanDerWaalsContact N-O 3.14Å; A178-G420 CarbonylContact O-C 3.56Å; A178-G420 WeakPolarHBondContact O-CA 3.37Å; A178-P421 VanDerWaalsContact O-CD 3.22Å; A178-P421 WeakPolarHBondContact O-CD 3.44Å; A178-P421 VanDerWaalsContact O-N 3.07Å
179	E	93.9	Very high	94.3	Very high	18 Å²	18	34.6 Å²	34.6	8%	0.084	17%	0.172	C	C	.	.	S	Bend	trans	-67.6	-29.4	173.9	-81.4	-61.9	161.1	0	0	112.1	I181 D187 K195 A197 D198	E179-I181 PolarHBondContact O-N 3.1Å; E179-D187 VanDerWaalsContact CB-OD2 3.27Å; E179-D187 WeakPolarHBondContact CB-OD2 3.33Å; E179-D187 WeakPolarHBondContact CG-OD2 3.29Å; E179-D187 PolarHBondContact N-OD2 2.84Å; E179-K195 HydrophobicContact CB-CB 4.15Å; E179-K195 HydrophobicContact CB-CD 4.06Å; E179-K195 HydrophobicContact CB-CG 4.27Å; E179-K195 WeakPolarHBondContact O-CE 3.3Å; E179-K195 PolarHBondContact O-NZ 3.44Å; E179-A197 VanDerWaalsContact CD-CB 3.45Å; E179-A197 HydrophobicContact CG-CB 4.34Å; E179-A197 WeakPolarHBondContact OE1-CB 3.41Å; E179-A197 WeakPolarHBondContact OE2-CB 3.08Å; E179-D198 HydrophobicContact CG-CB 4.07Å
180	K	88.5	Confident	94	Very high	41 Å²	41	35.4 Å²	35.4	18%	0.178	18%	0.176	C	C	.	.			trans	-74.3	126.5	173.1	-65.7	174.7	-167.9	152.6	0	110.2	A178 K184 D190 V194	A178-K180 VanDerWaalsContact C-N 3.26Å; A178-K180 PolarHBondContact O-N 2.8Å; K180-K184 WeakPolarHBondContact O-CG 3.3Å; K180-D190 IonicContact NZ-OD2 3.66Å; K180-D190 PolarHBondContact NZ-OD2 3.44Å; K180-V194 VanDerWaalsContact CE-CG2 3.48Å
181	I	82.4	Confident	93.6	Very high	99 Å²	99	38.6 Å²	38.6	51%	0.508	20%	0.197	S	C	.	.	S	Bend	trans	-91.9	-10.6	176.8	61.3	169.6	0	0	0	113.5	E179 P421	E179-I181 PolarHBondContact O-N 3.1Å; I181-P421 HydrophobicContact CG2-CG 4.47Å
182	H	82.9	Confident	93.2	Very high	150 Å²	150	44.6 Å²	44.6	69%	0.694	22%	0.219	S	C	*	.	S	Bend	trans	-126.6	138.5	177.8	-61.5	-46.7	0	0	0	107.9
183	D	83.8	Confident	92.7	Very high	161 Å²	161	44.9 Å²	44.9	86%	0.861	22%	0.22	S	C	*	.	S	Bend	trans	53.1	57.6	-172.8	-160.1	27.7	0	0	0	110
184	K	88.3	Confident	92	Very high	66 Å²	66	47.3 Å²	47.3	29%	0.287	24%	0.235	S	C	.	.			trans	-68.8	133.9	-169.7	-57.8	-172.7	-175.3	171	0	109.9	K180 Y415 D416 L419	K180-K184 WeakPolarHBondContact O-CG 3.3Å; K184-Y415 PolarHBondContact O-OH 2.88Å; K184-D416 PolarHBondContact NZ-O 2.69Å; K184-L419 WeakPolarHBondContact CD-O 3.33Å; K184-L419 PolarHBondContact NZ-O 3.12Å
185	S	93.5	Very high	91.4	Very high	23 Å²	23	51.1 Å²	51.1	16%	0.161	25%	0.251	C	S	.	.			trans	-144.8	151.2	166.1	64.7	0	0	0	0	108.2	A178 D187 Y415	A178-S185 VanDerWaalsContact CB-O 3.3Å; A178-S185 WeakPolarHBondContact CB-O 3.32Å; S185-D187 PolarHBondContact O-N 3.13Å; S185-Y415 VanDerWaalsContact CA-OH 3.31Å; S185-Y415 WeakPolarHBondContact CA-OH 3.45Å
186	P	96.6	Very high	90.9	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.026	27%	0.273	C	S	.	.			trans	-51.1	137.5	167.4	-27.5	37.3	0	0	0	111.1	D177 N188 E189 Y415 L419	D177-P186 CarbonylContact O-C 3.56Å; D177-P186 VanDerWaalsContact O-CA 3.26Å; D177-P186 WeakPolarHBondContact O-CA 3.44Å; P186-N188 VanDerWaalsContact C-N 3.26Å; P186-N188 WeakPolarHBondContact CB-OD1 3.35Å; P186-N188 PolarHBondContact O-N 3.31Å; P186-E189 HydrophobicContact CB-CG 4.28Å; P186-E189 WeakPolarHBondContact O-CB 3.4Å; P186-E189 PolarHBondContact O-N 3.04Å; P186-Y415 HydrophobicContact CG-CE2 4.42Å; P186-L419 HydrophobicContact CG-CD1 4.49Å; P186-L419 HydrophobicContact CG-CD2 4.05Å
187	D	96.3	Very high	90.6	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.032	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-66.5	-29.3	-174	-77.1	-43.9	0	0	0	112.2	N175 D177 E179 S185 E189 D190 R234	N175-D187 WeakPolarHBondContact ND2-CB 3.48Å; D177-D187 PolarHBondContact O-N 2.83Å; E179-D187 VanDerWaalsContact CB-OD2 3.27Å; E179-D187 WeakPolarHBondContact CB-OD2 3.33Å; E179-D187 WeakPolarHBondContact CG-OD2 3.29Å; E179-D187 PolarHBondContact N-OD2 2.84Å; S185-D187 PolarHBondContact O-N 3.13Å; D187-E189 PolarHBondContact O-N 2.86Å; D187-D190 PolarHBondContact O-N 3.15Å; D187-D190 VanDerWaalsContact O-N 3.15Å; D187-R234 PolarHBondContact O-NH2 3.21Å
188	N	95.8	Very high	90.4	Very high	26 Å²	26	56.3 Å²	56.3	14%	0.139	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-60.9	-13.7	171.7	66.1	-5.7	0	0	0	114.6	N175 P186 R234 L288	N175-N188 HydrophobicContact CB-CB 4.26Å; N175-N188 WeakPolarHBondContact O-CB 3.48Å; N175-N188 VanDerWaalsContact O-CG 3.22Å; N175-N188 PolarHBondContact O-N 3.14Å; N175-N188 PolarHBondContact O-OD1 2.84Å; P186-N188 VanDerWaalsContact C-N 3.26Å; P186-N188 WeakPolarHBondContact CB-OD1 3.35Å; P186-N188 PolarHBondContact O-N 3.31Å; N188-R234 VanDerWaalsContact C-NH2 3.32Å; N188-R234 VanDerWaalsContact CA-NH2 3.29Å; N188-R234 PolarHBondContact O-NH1 2.99Å; N188-R234 PolarHBondContact O-NH2 3.22Å; N188-L288 HydrophobicContact CB-CD2 3.97Å; N188-L288 PolarHBondContact ND2-O 3.09Å
189	E	94.9	Very high	90.3	Very high	123 Å²	123	57.2 Å²	57.2	58%	0.575	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-84.6	-27.6	176	-64.6	-174.4	175.5	0	0	113.1	P186 D187	P186-E189 HydrophobicContact CB-CG 4.28Å; P186-E189 WeakPolarHBondContact O-CB 3.4Å; P186-E189 PolarHBondContact O-N 3.04Å; D187-E189 PolarHBondContact O-N 2.86Å
190	D	90.9	Very high	90.4	Very high	16 Å²	16	62.7 Å²	62.7	9%	0.086	31%	0.314	C	S	.	.	S	Bend	trans	-94.6	119.6	179.8	-168.1	-23.5	0	0	0	110.2	K180 D187 R192 R234	K180-D190 IonicContact NZ-OD2 3.66Å; K180-D190 PolarHBondContact NZ-OD2 3.44Å; D187-D190 PolarHBondContact O-N 3.15Å; D187-D190 VanDerWaalsContact O-N 3.15Å; D190-R192 PolarHBondContact O-N 3.34Å; D190-R192 WeakPolarHBondContact OD1-CB 3.38Å; D190-R192 IonicContact OD1-CZ 2.79Å; D190-R192 PolarHBondContact OD1-N 3.03Å; D190-R192 IonicContact OD1-NE 3.22Å; D190-R192 PolarHBondContact OD1-NE 2.81Å; D190-R192 IonicContact OD1-NH2 2.8Å; D190-R192 PolarHBondContact OD1-NH2 3.11Å; D190-R192 IonicContact OD2-CZ 3.66Å; D190-R192 IonicContact OD2-NE 3.67Å; D190-R192 IonicContact OD2-NH2 2.84Å; D190-R192 PolarHBondContact OD2-NH2 2.82Å; D190-R234 PolarHBondContact O-NH1 3.17Å; D190-R234 VanDerWaalsContact O-NH1 3.07Å; D190-R234 PolarHBondContact O-NH2 3.47Å
191	P	90.2	Very high	90.9	Very high	69 Å²	69	60.8 Å²	60.8	45%	0.448	31%	0.306	S	S	.	.	S	Bend	trans	-71.7	20.8	-177.7	31.7	-37.5	0	0	0	114.3	R234	P191-R234 VanDerWaalsContact CA-NH1 3.26Å
192	R	90.3	Very high	91.6	Very high	132 Å²	132	56.3 Å²	56.3	50%	0.498	28%	0.283	S	S	.	.	S	Bend	trans	-136.8	137	-176	-55.8	168.8	-62.9	178.2	5.4	109.6	D190 V194	D190-R192 PolarHBondContact O-N 3.34Å; D190-R192 WeakPolarHBondContact OD1-CB 3.38Å; D190-R192 IonicContact OD1-CZ 2.79Å; D190-R192 PolarHBondContact OD1-N 3.03Å; D190-R192 IonicContact OD1-NE 3.22Å; D190-R192 PolarHBondContact OD1-NE 2.81Å; D190-R192 IonicContact OD1-NH2 2.8Å; D190-R192 PolarHBondContact OD1-NH2 3.11Å; D190-R192 IonicContact OD2-CZ 3.66Å; D190-R192 IonicContact OD2-NE 3.67Å; D190-R192 IonicContact OD2-NH2 2.84Å; D190-R192 PolarHBondContact OD2-NH2 2.82Å; R192-V194 PolarHBondContact O-N 2.94Å
193	I	89	Confident	92.4	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	25%	0.252	C	S	.	.			trans	-73.5	113	166.4	-66.6	156.5	0	0	0	108.9	K195 L199 M202 F236 Y259	I193-K195 VanDerWaalsContact CG2-O 3.23Å; I193-K195 WeakPolarHBondContact CG2-O 3.34Å; I193-L199 HydrophobicContact CD1-CD2 3.67Å; I193-L199 HydrophobicContact CG1-CD2 4.35Å; I193-L199 HydrophobicContact CG2-CD2 4.16Å; I193-M202 HydrophobicContact CD1-CE 4.14Å; I193-M202 HydrophobicContact CD1-SD 4.18Å; I193-M202 HydrophobicContact CG1-CE 3.74Å; I193-M202 HydrophobicContact CG1-SD 4.44Å; I193-F236 HydrophobicContact CD1-CB 3.6Å; I193-F236 HydrophobicContact CD1-CD1 3.75Å; I193-F236 HydrophobicContact CD1-CD2 3.54Å; I193-F236 HydrophobicContact CD1-CE1 4.28Å; I193-F236 HydrophobicContact CD1-CE2 4.08Å; I193-F236 HydrophobicContact CD1-CG 3.34Å; I193-F236 HydrophobicContact CD1-CZ 4.43Å; I193-F236 HydrophobicContact CG1-CD1 4.19Å; I193-F236 HydrophobicContact CG1-CD2 4.08Å; I193-F236 HydrophobicContact CG1-CE1 4.23Å; I193-F236 HydrophobicContact CG1-CE2 4.1Å; I193-F236 HydrophobicContact CG1-CG 4.12Å; I193-F236 HydrophobicContact CG1-CZ 4.18Å; I193-Y259 VanDerWaalsContact CD1-CB 3.48Å; I193-Y259 HydrophobicContact CD1-CD1 4.4Å; I193-Y259 HydrophobicContact CD1-CG 3.91Å; I193-Y259 HydrophobicContact CG2-CD2 4.3Å
194	V	83.8	Confident	93.1	Very high	52 Å²	52	44.6 Å²	44.6	32%	0.315	23%	0.226	S	C	.	.			trans	-94.7	-32.5	-178.9	179.6	0	0	0	0	112.1	K180 R192	K180-V194 VanDerWaalsContact CE-CG2 3.48Å; R192-V194 PolarHBondContact O-N 2.94Å
195	K	87.3	Confident	93.6	Very high	80 Å²	80	41.5 Å²	41.5	35%	0.348	21%	0.212	S	C	.	.			trans	-125.1	149.9	177.4	-64.9	-157.3	-173.4	171.6	0	110.7	E179 I193 A197 D198	E179-K195 HydrophobicContact CB-CB 4.15Å; E179-K195 HydrophobicContact CB-CD 4.06Å; E179-K195 HydrophobicContact CB-CG 4.27Å; E179-K195 WeakPolarHBondContact O-CE 3.3Å; E179-K195 PolarHBondContact O-NZ 3.44Å; I193-K195 VanDerWaalsContact CG2-O 3.23Å; I193-K195 WeakPolarHBondContact CG2-O 3.34Å; K195-A197 PolarHBondContact O-N 2.84Å; K195-D198 WeakPolarHBondContact O-CB 3.43Å
196	V	88	Confident	93.8	Very high	76 Å²	76	40.5 Å²	40.5	46%	0.461	21%	0.205	S	C	.	.	S	Bend	trans	-72.6	-20.5	177.1	179	0	0	0	0	111.9	D198 L199 F255	V196-D198 VanDerWaalsContact C-N 3.34Å; V196-L199 HydrophobicContact CG1-CD1 4.06Å; V196-L199 WeakPolarHBondContact O-CB 3.5Å; V196-L199 WeakPolarHBondContact O-CG 3.04Å; V196-L199 PolarHBondContact O-N 2.86Å; V196-F255 HydrophobicContact CG2-CD1 3.97Å; V196-F255 HydrophobicContact CG2-CE1 3.94Å
197	A	91.6	Very high	93.9	Very high	32 Å²	32	40.5 Å²	40.5	26%	0.264	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-63.8	-39.2	178.3	0	0	0	0	0	112.2	E179 K195 L199 K200	E179-A197 VanDerWaalsContact CD-CB 3.45Å; E179-A197 HydrophobicContact CG-CB 4.34Å; E179-A197 WeakPolarHBondContact OE1-CB 3.41Å; E179-A197 WeakPolarHBondContact OE2-CB 3.08Å; K195-A197 PolarHBondContact O-N 2.84Å; A197-L199 PolarHBondContact O-N 2.95Å; A197-K200 VanDerWaalsContact O-CB 3.28Å; A197-K200 WeakPolarHBondContact O-CB 3.28Å; A197-K200 VanDerWaalsContact O-CG 3.3Å; A197-K200 WeakPolarHBondContact O-CG 3.4Å; A197-K200 PolarHBondContact O-N 2.88Å
198	D	94.4	Very high	93.9	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-47.3	-30.1	171.9	-172.1	19.8	0	0	0	114.1	N175 E179 K195 V196 K200 D201 M202	N175-D198 PolarHBondContact ND2-OD1 3.48Å; N175-D198 PolarHBondContact OD1-OD1 3.04Å; E179-D198 HydrophobicContact CG-CB 4.07Å; K195-D198 WeakPolarHBondContact O-CB 3.43Å; V196-D198 VanDerWaalsContact C-N 3.34Å; D198-K200 PolarHBondContact O-N 3.46Å; D198-K200 VanDerWaalsContact O-N 3.13Å; D198-D201 PolarHBondContact O-N 2.88Å; D198-M202 WeakPolarHBondContact OD2-CE 3.37Å
199	L	95	Very high	94	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.099	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-66.3	-16	177.8	-58.9	179	0	0	0	113.6	I193 V196 A197 D201 M202 Y259 Y284	I193-L199 HydrophobicContact CD1-CD2 3.67Å; I193-L199 HydrophobicContact CG1-CD2 4.35Å; I193-L199 HydrophobicContact CG2-CD2 4.16Å; V196-L199 HydrophobicContact CG1-CD1 4.06Å; V196-L199 WeakPolarHBondContact O-CB 3.5Å; V196-L199 WeakPolarHBondContact O-CG 3.04Å; V196-L199 PolarHBondContact O-N 2.86Å; A197-L199 PolarHBondContact O-N 2.95Å; L199-D201 VanDerWaalsContact C-N 3.34Å; L199-M202 HydrophobicContact CD2-SD 4.22Å; L199-Y259 HydrophobicContact CD1-CD1 4.44Å; L199-Y259 HydrophobicContact CD1-CE1 3.66Å; L199-Y259 HydrophobicContact CD1-CE2 3.95Å; L199-Y259 VanDerWaalsContact CD1-OH 3.29Å; L199-Y259 WeakPolarHBondContact CD1-OH 3.22Å; L199-Y259 HydrophobicContact CD2-CD1 4.27Å; L199-Y259 HydrophobicContact CD2-CE1 4.25Å; L199-Y284 HydrophobicContact CB-CD1 4.13Å; L199-Y284 HydrophobicContact CB-CE1 4.12Å; L199-Y284 HydrophobicContact CD1-CE1 4.34Å; L199-Y284 HydrophobicContact CD2-CD1 3.99Å; L199-Y284 HydrophobicContact CD2-CD2 4.09Å; L199-Y284 HydrophobicContact CD2-CE1 4.39Å; L199-Y284 HydrophobicContact CD2-CE2 4.48Å; L199-Y284 HydrophobicContact CD2-CG 3.83Å
200	K	95.6	Very high	94	Very high	133 Å²	133	40.5 Å²	40.5	58%	0.578	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-74.4	-29	177.4	-66.9	176	-176.9	173.6	0	112	A197 D198 M202 H396	A197-K200 VanDerWaalsContact O-CB 3.28Å; A197-K200 WeakPolarHBondContact O-CB 3.28Å; A197-K200 VanDerWaalsContact O-CG 3.3Å; A197-K200 WeakPolarHBondContact O-CG 3.4Å; A197-K200 PolarHBondContact O-N 2.88Å; D198-K200 PolarHBondContact O-N 3.46Å; D198-K200 VanDerWaalsContact O-N 3.13Å; K200-M202 VanDerWaalsContact C-N 3.27Å; K200-H396 WeakPolarHBondContact O-CB 3.48Å
201	D	97.7	Very high	94.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.1	178.1	-48.9	-66.1	0	0	0	111.2	N175 D198 L199 H396 F398	N175-D201 WeakPolarHBondContact OD1-CB 3.47Å; D198-D201 PolarHBondContact O-N 2.88Å; L199-D201 VanDerWaalsContact C-N 3.34Å; D201-H396 IonicContact OD1-CD2 2.84Å; D201-H396 PolarHBondContact OD1-CD2 3.02Å; D201-H396 IonicContact OD1-NE2 3.97Å; D201-H396 PolarHBondContact OD1-NE2 3.38Å; D201-H396 VanDerWaalsContact OD1-NE2 3.11Å; D201-F398 HydrophobicContact CB-CE1 4.27Å; D201-F398 VanDerWaalsContact OD1-CE1 3.24Å; D201-F398 WeakPolarHBondContact OD1-CE1 3.5Å
202	M	98.4	Very high	94.6	Very high	6 Å²	6	37 Å²	37	3%	0.03	18%	0.178	C	C	.	.	S	Bend	trans	-88.3	141.9	180	-57.3	-166.9	-174.2	0	0	113.1	I193 D198 L199 K200 F236 Y284 V285 E286	I193-M202 HydrophobicContact CD1-CE 4.14Å; I193-M202 HydrophobicContact CD1-SD 4.18Å; I193-M202 HydrophobicContact CG1-CE 3.74Å; I193-M202 HydrophobicContact CG1-SD 4.44Å; D198-M202 WeakPolarHBondContact OD2-CE 3.37Å; L199-M202 HydrophobicContact CD2-SD 4.22Å; K200-M202 VanDerWaalsContact C-N 3.27Å; M202-F236 HydrophobicContact CE-CD2 4.19Å; M202-F236 HydrophobicContact CE-CE2 3.88Å; M202-F236 HydrophobicContact SD-CD2 3.88Å; M202-F236 HydrophobicContact SD-CE2 4.13Å; M202-Y284 HydrophobicContact CB-CD1 4.42Å; M202-V285 CarbonylContact C-O 3.52Å; M202-V285 VanDerWaalsContact CA-O 3.28Å; M202-V285 WeakPolarHBondContact CA-O 3.48Å; M202-V285 WeakPolarHBondContact CB-O 3.31Å; M202-E286 HydrophobicContact CE-CB 4.21Å; M202-E286 HydrophobicContact CE-CG 4.44Å; M202-E286 HydrophobicContact CG-CB 4.04Å; M202-E286 HydrophobicContact SD-CB 4.31Å
203	S	98.7	Very high	94.8	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134	173.5	-55.8	0	0	0	0	111.3	I171 V285 H395	I171-S203 PolarHBondContact O-OG 2.92Å; S203-V285 PolarHBondContact N-O 3.41Å; S203-V285 PolarHBondContact O-N 3.07Å; S203-H395 PolarHBondContact OG-CE1 3.37Å; S203-H395 PolarHBondContact OG-NE2 3Å
204	L	98.4	Very high	95	Very high	60 Å²	60	41.7 Å²	41.7	31%	0.314	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.2	177.5	-173.8	67.5	0	0	0	110.8	V151 V206 N282 Y284	V151-L204 HydrophobicContact CG2-CB 3.85Å; V151-L204 HydrophobicContact CG2-CD2 3.88Å; V151-L204 HydrophobicContact CG2-CG 3.88Å; V151-L204 VanDerWaalsContact CG2-O 3.28Å; V151-L204 WeakPolarHBondContact CG2-O 3.47Å; L204-V206 HydrophobicContact CD1-CG2 4.48Å; L204-V206 HydrophobicContact CD2-CG2 4.01Å; L204-V206 HydrophobicContact CG-CG2 3.94Å; L204-N282 HydrophobicContact CD1-CB 3.8Å; L204-Y284 HydrophobicContact CD1-CD1 4.49Å; L204-Y284 HydrophobicContact CD1-CE1 4.14Å
205	M	98.7	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.7	169.8	177.1	178.3	66.4	0	0	108.8	L141 D142 V143 M223 V235 F283 V285 I301 V323 F325	L141-M205 HydrophobicContact CD1-CE 4.23Å; L141-M205 HydrophobicContact CD1-CG 3.71Å; L141-M205 HydrophobicContact CD1-SD 3.74Å; L141-M205 HydrophobicContact CD2-SD 3.81Å; L141-M205 HydrophobicContact CG-CG 4.08Å; L141-M205 HydrophobicContact CG-SD 3.89Å; D142-M205 CarbonylContact O-C 3.34Å; D142-M205 WeakPolarHBondContact O-CA 3.3Å; V143-M205 HydrophobicContact CG1-CB 4.01Å; V143-M205 HydrophobicContact CG1-CG 3.78Å; V143-M205 HydrophobicContact CG1-SD 4.4Å; M205-M223 HydrophobicContact CE-CE 3.58Å; M205-M223 HydrophobicContact CE-SD 3.84Å; M205-V235 HydrophobicContact CE-CG1 3.82Å; M205-F283 HydrophobicContact CB-CB 4.19Å; M205-F283 HydrophobicContact CE-CB 3.67Å; M205-F283 HydrophobicContact CE-CD2 4.27Å; M205-F283 HydrophobicContact CE-CG 3.92Å; M205-F283 PolarHBondContact N-O 2.99Å; M205-F283 WeakPolarHBondContact O-CA 3.44Å; M205-F283 PolarHBondContact O-N 3.44Å; M205-V285 HydrophobicContact CB-CG2 3.93Å; M205-V285 HydrophobicContact CE-CG2 4.11Å; M205-V285 HydrophobicContact SD-CG2 4.47Å; M205-I301 HydrophobicContact CE-CD1 4.4Å; M205-I301 HydrophobicContact CE-CG2 4.22Å; M205-I301 HydrophobicContact SD-CB 4.5Å; M205-I301 HydrophobicContact SD-CD1 4.26Å; M205-I301 HydrophobicContact SD-CG2 4.15Å; M205-V323 HydrophobicContact SD-CG2 3.8Å; M205-F325 HydrophobicContact CB-CZ 4.48Å; M205-F325 HydrophobicContact SD-CE2 4.49Å
206	V	98.4	Very high	95.9	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.6	-171.5	-174.3	0	0	0	0	110.4	D142 V151 L204 R208 E280 M281	D142-V206 PolarHBondContact N-O 2.92Å; D142-V206 PolarHBondContact O-N 2.77Å; V151-V206 HydrophobicContact CB-CG2 3.98Å; V151-V206 HydrophobicContact CG1-CB 4.03Å; V151-V206 HydrophobicContact CG1-CG2 3.76Å; V151-V206 HydrophobicContact CG2-CG2 4.23Å; L204-V206 HydrophobicContact CD1-CG2 4.48Å; L204-V206 HydrophobicContact CD2-CG2 4.01Å; L204-V206 HydrophobicContact CG-CG2 3.94Å; V206-R208 HydrophobicContact CG1-CG 3.8Å; V206-E280 HydrophobicContact CG1-CB 4.14Å; V206-M281 WeakPolarHBondContact CA-O 3.41Å
207	L	97.8	Very high	96.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.6	166	170.8	52.7	0	0	0	109.2	I139 S140 L141 T209 L221 V272 E280 M281 F283 L303	I139-L207 HydrophobicContact CG2-CD1 4.07Å; S140-L207 WeakPolarHBondContact O-CA 3.47Å; L141-L207 HydrophobicContact CD1-CB 4.39Å; L207-T209 HydrophobicContact CD1-CG2 3.75Å; L207-T209 HydrophobicContact CG-CG2 4.03Å; L207-L221 HydrophobicContact CD2-CD1 4.3Å; L207-V272 HydrophobicContact CD2-CG2 3.93Å; L207-E280 CarbonylContact O-C 3.56Å; L207-E280 VanDerWaalsContact O-CA 3.32Å; L207-E280 WeakPolarHBondContact O-CA 3.45Å; L207-M281 HydrophobicContact CB-CB 4.32Å; L207-M281 PolarHBondContact N-O 3.09Å; L207-M281 PolarHBondContact O-N 3.33Å; L207-F283 HydrophobicContact CB-CD2 4.46Å; L207-F283 HydrophobicContact CB-CE2 3.65Å; L207-F283 HydrophobicContact CD2-CE2 4.44Å; L207-L303 HydrophobicContact CD1-CD2 3.31Å; L207-L303 HydrophobicContact CD2-CD2 4.09Å; L207-L303 HydrophobicContact CG-CD2 4.27Å
208	R	97.4	Very high	96.1	Very high	34 Å²	34	42.8 Å²	42.8	13%	0.128	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.3	174.6	-55.7	-169.8	168.8	100	-2.2	109.8	I139 S140 D142 V151 E152 V206 A279 E280	I139-R208 WeakPolarHBondContact CA-O 3.28Å; S140-R208 PolarHBondContact N-O 3.21Å; S140-R208 PolarHBondContact O-N 2.8Å; D142-R208 VanDerWaalsContact CG-NH1 3.33Å; D142-R208 WeakPolarHBondContact OD2-CD 3.09Å; D142-R208 IonicContact OD2-CZ 2.73Å; D142-R208 IonicContact OD2-NH1 3.83Å; D142-R208 PolarHBondContact OD2-NH1 3.07Å; V151-R208 PolarHBondContact O-NH2 2.84Å; E152-R208 PolarHBondContact O-NH1 3.46Å; V206-R208 HydrophobicContact CG1-CG 3.8Å; R208-A279 WeakPolarHBondContact CA-O 3.16Å; R208-E280 VanDerWaalsContact CD-OE1 3.3Å; R208-E280 WeakPolarHBondContact CD-OE1 3.39Å; R208-E280 HydrophobicContact CG-CG 4.05Å; R208-E280 IonicContact CZ-OE1 3.75Å; R208-E280 IonicContact NE-OE1 2.78Å; R208-E280 PolarHBondContact NE-OE1 3.47Å
209	T	96.6	Very high	96.2	Very high	11 Å²	11	44 Å²	44	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.2	176.9	62.1	0	0	0	0	111.9	E138 I139 L207 L221 Y274 A279	E138-T209 CarbonylContact O-C 3.55Å; E138-T209 VanDerWaalsContact O-CA 3.22Å; E138-T209 WeakPolarHBondContact O-CA 3.34Å; I139-T209 HydrophobicContact CG1-CG2 4.43Å; L207-T209 HydrophobicContact CD1-CG2 3.75Å; L207-T209 HydrophobicContact CG-CG2 4.03Å; T209-L221 HydrophobicContact CG2-CD1 4.18Å; T209-Y274 HydrophobicContact CG2-CD2 4.39Å; T209-A279 PolarHBondContact N-O 2.92Å; T209-A279 PolarHBondContact O-N 2.78Å
210	R	96.8	Very high	96.2	Very high	109 Å²	109	45.4 Å²	45.4	41%	0.411	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.1	168.7	-166.4	-175.8	-70.6	-85.1	-10	110.9	A104 I137 E138 G277 S278	A104-R210 HydrophobicContact CB-CB 4.08Å; A104-R210 HydrophobicContact CB-CG 3.83Å; A104-R210 WeakPolarHBondContact CB-O 3.36Å; I137-R210 CarbonylContact C-O 3.51Å; I137-R210 WeakPolarHBondContact CA-O 3.28Å; E138-R210 HydrophobicContact CB-CB 3.83Å; E138-R210 HydrophobicContact CG-CB 4.21Å; E138-R210 PolarHBondContact N-O 2.79Å; E138-R210 PolarHBondContact O-N 3.36Å; E138-R210 WeakPolarHBondContact OE2-CB 3.43Å; E138-R210 WeakPolarHBondContact OE2-CD 3.45Å; E138-R210 IonicContact OE2-NE 2.87Å; E138-R210 PolarHBondContact OE2-NE 3.18Å; R210-G277 CarbonylContact C-O 3.54Å; R210-G277 WeakPolarHBondContact CA-O 3.26Å; R210-S278 PolarHBondContact NH2-OG 2.92Å
211	G	96.3	Very high	96.3	Very high	7 Å²	7	39.1 Å²	39.1	7%	0.072	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-162.7	177.4	0	0	0	0	0	114.8	S105 Y274 G277	S105-G211 CarbonylContact O-C 3.2Å; G211-Y274 VanDerWaalsContact C-OH 3.23Å; G211-Y274 VanDerWaalsContact CA-OH 3.24Å; G211-Y274 WeakPolarHBondContact CA-OH 3.22Å; G211-G277 PolarHBondContact N-O 3.49Å; G211-G277 WeakPolarHBondContact O-CA 3.17Å; G211-G277 PolarHBondContact O-N 3.13Å; G211-G277 VanDerWaalsContact O-N 3.17Å
212	P	96.6	Very high	96.3	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.032	21%	0.211	C	C	.	.	S	Bend	trans	-62.2	168.4	174.9	28.2	-34.6	0	0	0	111.6	Q106 T135 E214 Y274 G276	Q106-P212 WeakPolarHBondContact O-CA 3.29Å; T135-P212 HydrophobicContact CG2-CG 3.79Å; P212-E214 WeakPolarHBondContact CG-O 3.43Å; P212-E214 PolarHBondContact O-N 3.09Å; P212-Y274 VanDerWaalsContact O-CE1 3.24Å; P212-Y274 WeakPolarHBondContact O-CE1 3.37Å; P212-Y274 PolarHBondContact O-OH 2.93Å; P212-G276 VanDerWaalsContact O-CA 3.29Å; P212-G276 WeakPolarHBondContact O-CA 3.22Å
213	A	94.3	Very high	96.3	Very high	80 Å²	80	39.5 Å²	39.5	66%	0.661	21%	0.21	S	C	*	.	S	Bend	trans	-57.4	-33.9	-177.7	0	0	0	0	0	113.4	G276	A213-G276 WeakPolarHBondContact O-CA 3.48Å
214	E	94.3	Very high	96.3	Very high	156 Å²	156	42 Å²	42	73%	0.729	22%	0.22	S	C	*	.	S	Bend	trans	-136	154.2	178.4	-64.5	178.9	-177.7	0	0	109.7	P212	P212-E214 WeakPolarHBondContact CG-O 3.43Å; P212-E214 PolarHBondContact O-N 3.09Å
215	L	94.8	Very high	96.3	Very high	26 Å²	26	39.6 Å²	39.6	14%	0.136	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-68.2	151.7	168	-68.6	177	0	0	0	109.8	L42 I137 L221 Y274 L305	L42-L215 HydrophobicContact CD2-CD2 4.27Å; I137-L215 HydrophobicContact CD1-CD2 3.77Å; L215-L221 HydrophobicContact CD1-CG 4.37Å; L215-Y274 HydrophobicContact CD1-CD2 4.35Å; L215-Y274 HydrophobicContact CD1-CG 4.03Å; L215-Y274 HydrophobicContact CD2-CD1 4.23Å; L215-Y274 HydrophobicContact CD2-CD2 3.92Å; L215-Y274 HydrophobicContact CD2-CE1 4.21Å; L215-Y274 HydrophobicContact CD2-CE2 3.91Å; L215-Y274 HydrophobicContact CD2-CG 4.07Å; L215-Y274 HydrophobicContact CG-CD1 3.72Å; L215-Y274 HydrophobicContact CG-CD2 3.99Å; L215-Y274 HydrophobicContact CG-CE1 4.11Å; L215-Y274 HydrophobicContact CG-CE2 4.38Å; L215-Y274 HydrophobicContact CG-CG 3.62Å; L215-L305 HydrophobicContact CD1-CD1 4.37Å
216	P	94.9	Very high	96.3	Very high	10 Å²	10	42.3 Å²	42.3	7%	0.065	23%	0.227	C	C	.	.	S	Bend	trans	-52.6	148.7	170	-21.1	29.9	0	0	0	111.4	L42 E108 G218 Y219	L42-P216 HydrophobicContact CD1-CG 3.99Å; L42-P216 HydrophobicContact CD2-CG 4.46Å; E108-P216 HydrophobicContact CG-CB 4.33Å; E108-P216 HydrophobicContact CG-CG 4.03Å; P216-G218 PolarHBondContact O-N 3.37Å; P216-Y219 HydrophobicContact CB-CD2 3.71Å; P216-Y219 HydrophobicContact CB-CE2 4Å; P216-Y219 HydrophobicContact CG-CD2 4.28Å; P216-Y219 WeakPolarHBondContact O-CB 3.37Å; P216-Y219 WeakPolarHBondContact O-CD2 3.45Å; P216-Y219 PolarHBondContact O-N 3.34Å
217	E	92.3	Very high	96.2	Very high	185 Å²	185	48.9 Å²	48.9	86%	0.864	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	126.6	-174.2	-171.6	-177.8	176.1	0	0	112.7	Y219	E217-Y219 VanDerWaalsContact C-N 3.27Å; E217-Y219 PolarHBondContact O-N 2.96Å
218	G	90.9	Very high	96.1	Very high	41 Å²	41	50.8 Å²	50.8	42%	0.423	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-5.7	177.4	0	0	0	0	0	115.8	P216 P308	P216-G218 PolarHBondContact O-N 3.37Å; G218-P308 VanDerWaalsContact C-CG 3.49Å; G218-P308 WeakPolarHBondContact O-CD 3.38Å
219	Y	96.1	Very high	96.2	Very high	30 Å²	30	50.5 Å²	50.5	12%	0.118	28%	0.279	C	S	.	.			trans	-75.7	142.9	168.4	-74.7	-103.3	0	0	0	110.3	L42 P216 E217 L306 Q307 P308 I318	L42-Y219 HydrophobicContact CB-CD1 4.19Å; L42-Y219 HydrophobicContact CB-CE1 3.7Å; L42-Y219 HydrophobicContact CD2-CD1 3.42Å; L42-Y219 VanDerWaalsContact CD2-CD1 3.42Å; L42-Y219 HydrophobicContact CD2-CE1 3.83Å; L42-Y219 HydrophobicContact CD2-CG 3.88Å; L42-Y219 HydrophobicContact CG-CD1 4.47Å; L42-Y219 HydrophobicContact CG-CE1 4.45Å; P216-Y219 HydrophobicContact CB-CD2 3.71Å; P216-Y219 HydrophobicContact CB-CE2 4Å; P216-Y219 HydrophobicContact CG-CD2 4.28Å; P216-Y219 WeakPolarHBondContact O-CB 3.37Å; P216-Y219 WeakPolarHBondContact O-CD2 3.45Å; P216-Y219 PolarHBondContact O-N 3.34Å; E217-Y219 VanDerWaalsContact C-N 3.27Å; E217-Y219 PolarHBondContact O-N 2.96Å; Y219-L306 WeakPolarHBondContact CA-O 3.5Å; Y219-L306 WeakPolarHBondContact CD1-O 3.39Å; Y219-Q307 HydrophobicContact CD1-CB 4.16Å; Y219-Q307 HydrophobicContact CE1-CB 3.62Å; Y219-Q307 HydrophobicContact CE1-CG 3.75Å; Y219-Q307 HydrophobicContact CE2-CG 4.49Å; Y219-Q307 PolarHBondContact OH-NE2 3.24Å; Y219-P308 HydrophobicContact CD2-CG 4.11Å; Y219-P308 HydrophobicContact CE2-CG 4.28Å; Y219-I318 HydrophobicContact CD1-CD1 4.18Å; Y219-I318 HydrophobicContact CE1-CD1 3.72Å
220	K	95.8	Very high	96.2	Very high	48 Å²	48	50 Å²	50	21%	0.209	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.4	178.4	67.9	-174.6	-173.4	-154.2	0	112.9	E271 L306 E315	K220-E271 HydrophobicContact CB-CG 4.24Å; K220-E271 HydrophobicContact CD-CG 4.25Å; K220-E271 WeakPolarHBondContact CD-OE2 3.49Å; K220-L306 HydrophobicContact CG-CB 4.03Å; K220-L306 HydrophobicContact CG-CD1 4.38Å; K220-L306 PolarHBondContact N-O 2.84Å; K220-L306 PolarHBondContact O-N 2.87Å; K220-E315 VanDerWaalsContact CE-CD 3.4Å; K220-E315 WeakPolarHBondContact CE-OE1 3.2Å; K220-E315 WeakPolarHBondContact CE-OE2 3.06Å; K220-E315 IonicContact NZ-OE1 2.79Å; K220-E315 PolarHBondContact NZ-OE1 2.8Å; K220-E315 IonicContact NZ-OE2 2.66Å; K220-E315 PolarHBondContact NZ-OE2 2.94Å
221	L	97.5	Very high	96.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.2	170.3	-65.7	175.2	0	0	0	108.9	I139 L207 T209 L215 E271 V272 Y274 L303 S304 L305	I139-L221 HydrophobicContact CD1-CD2 3.7Å; I139-L221 HydrophobicContact CG1-CD2 4.38Å; I139-L221 HydrophobicContact CG2-CD2 4.49Å; L207-L221 HydrophobicContact CD2-CD1 4.3Å; T209-L221 HydrophobicContact CG2-CD1 4.18Å; L215-L221 HydrophobicContact CD1-CG 4.37Å; L221-E271 WeakPolarHBondContact O-CA 3.26Å; L221-E271 WeakPolarHBondContact O-CG 3.41Å; L221-V272 HydrophobicContact CB-CG2 3.45Å; L221-V272 VanDerWaalsContact CB-CG2 3.45Å; L221-V272 HydrophobicContact CD1-CG2 4.49Å; L221-V272 PolarHBondContact O-N 3.4Å; L221-Y274 HydrophobicContact CD1-CD2 4.19Å; L221-L303 HydrophobicContact CB-CD1 4.31Å; L221-S304 WeakPolarHBondContact CA-O 3.3Å; L221-L305 HydrophobicContact CD2-CB 4.14Å; L221-L305 HydrophobicContact CD2-CD1 3.81Å
222	T	97.8	Very high	96.3	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.092	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.4	179.8	-59.7	0	0	0	0	109.4	Q270 S304 L306	T222-Q270 WeakPolarHBondContact CA-O 3.18Å; T222-S304 PolarHBondContact N-O 3.24Å; T222-S304 PolarHBondContact O-N 3.18Å; T222-L306 HydrophobicContact CG2-CD1 4.49Å; T222-L306 WeakPolarHBondContact OG1-CD1 3.42Å
223	M	98.6	Very high	96.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	139.6	171.7	-167.2	178.1	-78.5	0	0	108.6	L141 M205 V235 V262 L263 S269 Q270 V272 F283 I301 N302 L303	L141-M223 HydrophobicContact CD1-CE 4Å; M205-M223 HydrophobicContact CE-CE 3.58Å; M205-M223 HydrophobicContact CE-SD 3.84Å; M223-V235 HydrophobicContact SD-CG1 4.13Å; M223-V262 HydrophobicContact CB-CG1 4.33Å; M223-V262 HydrophobicContact SD-CG1 4Å; M223-L263 HydrophobicContact CG-CD1 3.6Å; M223-L263 HydrophobicContact CG-CD2 4.48Å; M223-L263 HydrophobicContact CG-CG 4.23Å; M223-L263 HydrophobicContact SD-CD1 3.7Å; M223-L263 HydrophobicContact SD-CG 4.23Å; M223-S269 CarbonylContact O-C 3.6Å; M223-S269 VanDerWaalsContact O-CA 3.22Å; M223-S269 WeakPolarHBondContact O-CA 3.3Å; M223-Q270 PolarHBondContact N-O 3.18Å; M223-Q270 PolarHBondContact O-N 2.76Å; M223-V272 HydrophobicContact CB-CG1 3.83Å; M223-V272 HydrophobicContact CE-CG1 4.49Å; M223-F283 HydrophobicContact CE-CD1 3.93Å; M223-F283 HydrophobicContact CE-CD2 4.11Å; M223-F283 HydrophobicContact CE-CE1 3.66Å; M223-F283 HydrophobicContact CE-CE2 3.87Å; M223-F283 HydrophobicContact CE-CG 4.15Å; M223-F283 HydrophobicContact CE-CZ 3.64Å; M223-F283 HydrophobicContact SD-CD1 4.37Å; M223-F283 HydrophobicContact SD-CE1 4.29Å; M223-I301 HydrophobicContact CG-CG2 3.97Å; M223-I301 HydrophobicContact SD-CG2 4.07Å; M223-N302 CarbonylContact C-O 3.51Å; M223-N302 VanDerWaalsContact CA-O 3.31Å; M223-N302 WeakPolarHBondContact CA-O 3.36Å; M223-N302 WeakPolarHBondContact CG-O 3.39Å; M223-L303 HydrophobicContact CB-CD1 4.27Å
224	H	98.5	Very high	96.6	Very high	56 Å²	56	46.3 Å²	46.3	26%	0.259	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	154.5	-179.3	63.3	95.7	0	0	0	113.1	L268 N302 S304	H224-L268 VanDerWaalsContact CA-O 3.23Å; H224-L268 WeakPolarHBondContact CA-O 3.3Å; H224-L268 WeakPolarHBondContact CB-O 3.49Å; H224-N302 WeakPolarHBondContact CE1-CB 3.38Å; H224-N302 PolarHBondContact N-O 2.88Å; H224-N302 PolarHBondContact O-N 2.82Å; H224-N302 PolarHBondContact O-ND2 3.11Å; H224-S304 PolarHBondContact NE2-OG 2.85Å
225	I	98.4	Very high	96.8	Very high	11 Å²	11	38.9 Å²	38.9	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	160	-180	52.7	174.2	0	0	0	110.7	A230 V233 L263 L268 I301	I225-A230 HydrophobicContact CD1-CB 3.39Å; I225-A230 HydrophobicContact CG1-CB 4.03Å; I225-V233 HydrophobicContact CD1-CG1 3.99Å; I225-L263 HydrophobicContact CB-CD1 4.38Å; I225-L263 HydrophobicContact CD1-CB 3.8Å; I225-L263 HydrophobicContact CD1-CD1 4.34Å; I225-L263 HydrophobicContact CG1-CB 4.26Å; I225-L263 HydrophobicContact CG1-CD1 4.2Å; I225-L263 HydrophobicContact CG1-CD2 4.25Å; I225-L263 HydrophobicContact CG1-CG 4.47Å; I225-L263 HydrophobicContact CG2-CD1 3.49Å; I225-L263 VanDerWaalsContact CG2-CD1 3.49Å; I225-L268 PolarHBondContact N-O 3.08Å; I225-I301 HydrophobicContact CG2-CB 4.22Å; I225-I301 HydrophobicContact CG2-CG1 3.79Å; I225-I301 HydrophobicContact CG2-CG2 4.26Å
226	S	98.2	Very high	96.9	Very high	56 Å²	56	37.7 Å²	37.7	39%	0.392	21%	0.206	S	C	.	.			trans	-72.6	156.6	172.5	80.9	0	0	0	0	110.5	G228 D229 A230	S226-G228 VanDerWaalsContact C-N 3.26Å; S226-G228 PolarHBondContact O-N 3.44Å; S226-D229 WeakPolarHBondContact CB-OD2 3.14Å; S226-D229 PolarHBondContact O-N 3.26Å; S226-D229 WeakPolarHBondContact OG-CB 3.34Å; S226-D229 PolarHBondContact OG-N 3.39Å; S226-D229 VanDerWaalsContact OG-N 3.09Å; S226-D229 PolarHBondContact OG-OD2 3.12Å; S226-A230 WeakPolarHBondContact O-CB 3.36Å; S226-A230 PolarHBondContact O-N 3.05Å
227	Q	96.8	Very high	96.8	Very high	141 Å²	141	39 Å²	39	66%	0.659	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-37.5	176.4	-174.1	175.3	2	0	0	112.1	A230 L268	Q227-A230 PolarHBondContact O-N 3.48Å; Q227-L268 HydrophobicContact CB-CD1 4.25Å
228	G	96.4	Very high	96.6	Very high	45 Å²	45	31.5 Å²	31.5	46%	0.464	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-43.1	178.2	0	0	0	0	0	112.8	S226 A230 E231	S226-G228 VanDerWaalsContact C-N 3.26Å; S226-G228 PolarHBondContact O-N 3.44Å; G228-A230 VanDerWaalsContact C-N 3.26Å; G228-A230 PolarHBondContact O-N 2.8Å; G228-E231 PolarHBondContact O-N 2.93Å
229	D	97.9	Very high	95.7	Very high	27 Å²	27	31.4 Å²	31.4	14%	0.144	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-63	-35.6	175.7	-67.4	-47.7	0	0	0	111.5	S226 E231 S232 V233 I299	S226-D229 WeakPolarHBondContact CB-OD2 3.14Å; S226-D229 PolarHBondContact O-N 3.26Å; S226-D229 WeakPolarHBondContact OG-CB 3.34Å; S226-D229 PolarHBondContact OG-N 3.39Å; S226-D229 VanDerWaalsContact OG-N 3.09Å; S226-D229 PolarHBondContact OG-OD2 3.12Å; D229-E231 PolarHBondContact O-N 3.42Å; D229-S232 PolarHBondContact O-N 3.46Å; D229-V233 WeakPolarHBondContact O-CG1 3.48Å; D229-V233 PolarHBondContact O-N 3Å; D229-I299 HydrophobicContact CB-CG2 4.32Å
230	A	97.4	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-65	-18.3	-178.4	0	0	0	0	0	114.6	I225 S226 Q227 G228 S232 S265 L268	I225-A230 HydrophobicContact CD1-CB 3.39Å; I225-A230 HydrophobicContact CG1-CB 4.03Å; S226-A230 WeakPolarHBondContact O-CB 3.36Å; S226-A230 PolarHBondContact O-N 3.05Å; Q227-A230 PolarHBondContact O-N 3.48Å; G228-A230 VanDerWaalsContact C-N 3.26Å; G228-A230 PolarHBondContact O-N 2.8Å; A230-S232 PolarHBondContact O-N 3.23Å; A230-S265 PolarHBondContact O-N 2.95Å; A230-L268 HydrophobicContact CB-CD2 3.4Å
231	E	96.9	Very high	91.8	Very high	106 Å²	106	40.1 Å²	40.1	50%	0.495	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-74.5	-14.2	171.2	-63.4	177.7	-173	0	0	112.4	G228 D229	G228-E231 PolarHBondContact O-N 2.93Å; D229-E231 PolarHBondContact O-N 3.42Å
232	S	98.3	Very high	89.3	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.014	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-3	-170.9	-53.3	0	0	0	0	114.4	D229 A230 L288 R289	D229-S232 PolarHBondContact O-N 3.46Å; A230-S232 PolarHBondContact O-N 3.23Å; S232-L288 PolarHBondContact O-N 3.28Å; S232-R289 WeakPolarHBondContact OG-CD 3.44Å; S232-R289 WeakPolarHBondContact OG-CG 3.45Å
233	V	98.6	Very high	86.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	145.4	-175.1	75.4	0	0	0	0	112.9	L172 I225 D229 V235 V285 E286 I299	L172-V233 HydrophobicContact CD2-CG2 4.1Å; I225-V233 HydrophobicContact CD1-CG1 3.99Å; D229-V233 WeakPolarHBondContact O-CG1 3.48Å; D229-V233 PolarHBondContact O-N 3Å; V233-V235 HydrophobicContact CG2-CG2 4.46Å; V233-V285 HydrophobicContact CG2-CG1 3.41Å; V233-V285 VanDerWaalsContact CG2-CG1 3.41Å; V233-E286 WeakPolarHBondContact CA-O 3.34Å; V233-E286 WeakPolarHBondContact CG2-O 3.46Å; V233-I299 HydrophobicContact CB-CD1 4.08Å; V233-I299 HydrophobicContact CB-CG2 4.03Å; V233-I299 HydrophobicContact CG1-CG2 3.95Å; V233-I299 HydrophobicContact CG2-CG2 4.24Å
234	R	98.4	Very high	84.1	Confident	16 Å²	16	53 Å²	53	6%	0.06	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.5	159.4	-72.2	-178.2	-53.3	-156.4	13.5	110.2	D187 N188 D190 P191 F236 L261 L263 V285 E286 L288	D187-R234 PolarHBondContact O-NH2 3.21Å; N188-R234 VanDerWaalsContact C-NH2 3.32Å; N188-R234 VanDerWaalsContact CA-NH2 3.29Å; N188-R234 PolarHBondContact O-NH1 2.99Å; N188-R234 PolarHBondContact O-NH2 3.22Å; D190-R234 PolarHBondContact O-NH1 3.17Å; D190-R234 VanDerWaalsContact O-NH1 3.07Å; D190-R234 PolarHBondContact O-NH2 3.47Å; P191-R234 VanDerWaalsContact CA-NH1 3.26Å; R234-F236 HydrophobicContact CB-CE2 4.09Å; R234-F236 HydrophobicContact CB-CZ 4.2Å; R234-L261 HydrophobicContact CB-CD1 4.11Å; R234-L261 HydrophobicContact CG-CD1 4.27Å; R234-L263 WeakPolarHBondContact CA-O 3.27Å; R234-V285 WeakPolarHBondContact O-CA 3.03Å; R234-E286 HydrophobicContact CB-CG 3.87Å; R234-E286 WeakPolarHBondContact CB-OE1 3.5Å; R234-E286 IonicContact CZ-OE1 2.63Å; R234-E286 PolarHBondContact N-O 3.19Å; R234-E286 VanDerWaalsContact N-O 3.13Å; R234-E286 IonicContact NE-OE1 2.76Å; R234-E286 PolarHBondContact NE-OE1 3.36Å; R234-E286 VanDerWaalsContact NH2-CD 3.3Å; R234-E286 IonicContact NH2-OE1 3.33Å; R234-E286 PolarHBondContact NH2-OE1 3.32Å; R234-E286 IonicContact NH2-OE2 3.43Å; R234-E286 PolarHBondContact NH2-OE2 3.05Å; R234-E286 PolarHBondContact O-N 3.47Å; R234-L288 HydrophobicContact CB-CD2 4.35Å; R234-L288 HydrophobicContact CG-CD1 3.98Å; R234-L288 HydrophobicContact CG-CD2 3.93Å; R234-L288 HydrophobicContact CG-CG 4.4Å
235	V	98.5	Very high	81.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.5	178.7	-176.4	0	0	0	0	109.1	M205 M223 V233 V262 L263 F283 Y284 V285 I301	M205-V235 HydrophobicContact CE-CG1 3.82Å; M223-V235 HydrophobicContact SD-CG1 4.13Å; V233-V235 HydrophobicContact CG2-CG2 4.46Å; V235-V262 HydrophobicContact CG1-CB 4.4Å; V235-V262 WeakPolarHBondContact O-CA 3.31Å; V235-V262 WeakPolarHBondContact O-CB 3.35Å; V235-V262 PolarHBondContact O-N 2.9Å; V235-L263 HydrophobicContact CB-CB 4Å; V235-L263 HydrophobicContact CB-CD1 4.34Å; V235-L263 HydrophobicContact CB-CG 4.35Å; V235-L263 HydrophobicContact CG2-CB 4.03Å; V235-L263 HydrophobicContact CG2-CD1 3.93Å; V235-L263 HydrophobicContact CG2-CG 4.4Å; V235-L263 PolarHBondContact N-O 2.88Å; V235-L263 PolarHBondContact O-N 2.85Å; V235-F283 HydrophobicContact CG1-CB 3.95Å; V235-F283 HydrophobicContact CG1-CD1 3.96Å; V235-F283 HydrophobicContact CG1-CG 4.34Å; V235-Y284 WeakPolarHBondContact CA-O 3.48Å; V235-V285 HydrophobicContact CG1-CG2 4.41Å; V235-V285 HydrophobicContact CG2-CG1 4.31Å; V235-V285 HydrophobicContact CG2-CG2 4.31Å; V235-I301 HydrophobicContact CG2-CD1 3.75Å
236	F	96.9	Very high	78.4	Confident	1 Å²	1	65.6 Å²	65.6	0%	0.004	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	155.4	172.9	-51.5	-90.9	0	0	0	110.2	I193 M202 R234 P260 L261 F283 Y284 E286	I193-F236 HydrophobicContact CD1-CB 3.6Å; I193-F236 HydrophobicContact CD1-CD1 3.75Å; I193-F236 HydrophobicContact CD1-CD2 3.54Å; I193-F236 HydrophobicContact CD1-CE1 4.28Å; I193-F236 HydrophobicContact CD1-CE2 4.08Å; I193-F236 HydrophobicContact CD1-CG 3.34Å; I193-F236 HydrophobicContact CD1-CZ 4.43Å; I193-F236 HydrophobicContact CG1-CD1 4.19Å; I193-F236 HydrophobicContact CG1-CD2 4.08Å; I193-F236 HydrophobicContact CG1-CE1 4.23Å; I193-F236 HydrophobicContact CG1-CE2 4.1Å; I193-F236 HydrophobicContact CG1-CG 4.12Å; I193-F236 HydrophobicContact CG1-CZ 4.18Å; M202-F236 HydrophobicContact CE-CD2 4.19Å; M202-F236 HydrophobicContact CE-CE2 3.88Å; M202-F236 HydrophobicContact SD-CD2 3.88Å; M202-F236 HydrophobicContact SD-CE2 4.13Å; R234-F236 HydrophobicContact CB-CE2 4.09Å; R234-F236 HydrophobicContact CB-CZ 4.2Å; F236-P260 WeakPolarHBondContact CA-O 3.36Å; F236-L261 HydrophobicContact CD1-CB 4.21Å; F236-L261 HydrophobicContact CD1-CD1 3.94Å; F236-L261 HydrophobicContact CE1-CB 4.26Å; F236-L261 HydrophobicContact CE1-CD1 3.55Å; F236-L261 HydrophobicContact CZ-CD1 3.99Å; F236-F283 CarbonylContact O-C 3.48Å; F236-F283 WeakPolarHBondContact O-CA 3.5Å; F236-F283 WeakPolarHBondContact O-CB 3.29Å; F236-Y284 PolarHBondContact N-O 3.31Å; F236-Y284 PolarHBondContact O-N 3Å; F236-E286 HydrophobicContact CE2-CG 4.14Å; F236-E286 WeakPolarHBondContact CE2-OE1 3.36Å; F236-E286 VanDerWaalsContact CZ-OE1 3.24Å; F236-E286 WeakPolarHBondContact CZ-OE1 3.48Å
237	R	93.2	Very high	75.7	Confident	37 Å²	37	67.6 Å²	67.6	14%	0.14	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.5	176.4	-177.9	-163.6	66	-163.7	3.4	110.1	A239 Y259 P260 V262 M281 F283	R237-A239 PolarHBondContact O-N 3.06Å; R237-Y259 WeakPolarHBondContact O-CA 3.2Å; R237-P260 HydrophobicContact CB-CG 4.49Å; R237-P260 PolarHBondContact N-O 3.31Å; R237-P260 WeakPolarHBondContact O-CD 3.39Å; R237-V262 HydrophobicContact CB-CG2 3.57Å; R237-M281 WeakPolarHBondContact CD-SD 3.39Å; R237-M281 HydrophobicContact CG-CG 3.94Å; R237-M281 HydrophobicContact CG-SD 3.86Å; R237-F283 HydrophobicContact CB-CD1 3.73Å; R237-F283 HydrophobicContact CB-CE1 3.75Å; R237-F283 HydrophobicContact CG-CD1 4.02Å; R237-F283 HydrophobicContact CG-CE1 3.72Å; R237-F283 HydrophobicContact CG-CZ 4.18Å
238	A	86.6	Confident	72.9	Confident	28 Å²	28	69.2 Å²	69.2	23%	0.231	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-59.8	131.9	167.1	0	0	0	0	0	111.2	S240 D258 Y259 N282 Y284	A238-S240 PolarHBondContact O-N 3.37Å; A238-D258 CarbonylContact C-O 3.55Å; A238-Y259 HydrophobicContact CB-CE1 4.33Å; A238-N282 HydrophobicContact CB-CB 4.37Å; A238-N282 PolarHBondContact N-O 2.76Å; A238-Y284 HydrophobicContact CB-CE2 4.22Å
239	A	73.6	Confident	70.2	Confident	40 Å²	40	74.7 Å²	74.7	33%	0.331	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-64.2	129.9	175.9	0	0	0	0	0	110.4	R237 D258	R237-A239 PolarHBondContact O-N 3.06Å; A239-D258 VanDerWaalsContact CB-O 3.27Å; A239-D258 WeakPolarHBondContact CB-O 3.41Å; A239-D258 PolarHBondContact N-O 3.09Å
240	S	59.4	Low	67.7	Low	24 Å²	24	82.8 Å²	82.8	17%	0.168	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-76.7	137.1	170.1	104.1	0	0	0	0	109.4	A238 E242 V243	A238-S240 PolarHBondContact O-N 3.37Å; S240-E242 PolarHBondContact O-N 3.15Å; S240-E242 PolarHBondContact OG-N 2.93Å; S240-V243 PolarHBondContact O-N 3.05Å; S240-V243 WeakPolarHBondContact OG-CG2 3.13Å; S240-V243 PolarHBondContact OG-N 3.16Å
241	R	50	Low	65.1	Low	236 Å²	236	89.2 Å²	89.2	89%	0.891	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-15.3	175	-76.8	-178.1	170.4	178.2	-0.6	113.2
242	E	45.2	Very low	62.2	Low	140 Å²	140	92.8 Å²	92.8	65%	0.654	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-34.4	179.7	-69.3	-178.8	152.9	0	0	113	S240 A244	S240-E242 PolarHBondContact O-N 3.15Å; S240-E242 PolarHBondContact OG-N 2.93Å; E242-A244 VanDerWaalsContact C-N 3.31Å; E242-A244 PolarHBondContact O-N 3.27Å
243	V	45.8	Very low	59.4	Low	70 Å²	70	96.3 Å²	96.3	42%	0.424	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-72.1	-26.4	178	175.6	0	0	0	0	111.9	S240 K245 N246	S240-V243 PolarHBondContact O-N 3.05Å; S240-V243 WeakPolarHBondContact OG-CG2 3.13Å; S240-V243 PolarHBondContact OG-N 3.16Å; V243-K245 PolarHBondContact O-N 3.16Å; V243-K245 VanDerWaalsContact O-N 3.09Å; V243-N246 PolarHBondContact O-N 3.39Å
244	A	41.8	Very low	57.1	Low	78 Å²	78	99.8 Å²	99.8	65%	0.645	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-65.2	-10.9	178.6	0	0	0	0	0	114.8	E242	E242-A244 VanDerWaalsContact C-N 3.31Å; E242-A244 PolarHBondContact O-N 3.27Å
245	K	39.3	Very low	54.8	Low	178 Å²	178	104 Å²	104	77%	0.774	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-80.2	-17.8	-179.6	-73.7	-177.2	179.8	173.1	0	114.6	V243	V243-K245 PolarHBondContact O-N 3.16Å; V243-K245 VanDerWaalsContact O-N 3.09Å
246	N	37.8	Very low	52.7	Low	152 Å²	152	106.9 Å²	106.9	81%	0.813	56%	0.555	S	S	*	*	S	Bend	trans	-108.3	0.8	-171.6	-75.2	-11.9	0	0	0	115.9	V243	V243-N246 PolarHBondContact O-N 3.39Å
247	S	40.1	Very low	50.9	Low	99 Å²	99	112.1 Å²	112.1	69%	0.692	58%	0.577	S	S	*	*			trans	-102.1	99	177.8	-70	0	0	0	0	112.8	H249	S247-H249 VanDerWaalsContact C-N 3.26Å; S247-H249 PolarHBondContact O-N 3.04Å
248	L	39.2	Very low	50	Low	175 Å²	175	113.5 Å²	113.5	92%	0.916	59%	0.588	S	S	*	*			trans	-70.9	72.7	166.4	-92.3	153.1	0	0	0	110.8
249	H	39.2	Very low	50	Low	160 Å²	160	114.2 Å²	114.2	74%	0.741	59%	0.585	S	S	*	*			trans	-153.7	85.2	160.6	-118.4	-80.8	0	0	0	109.6	S247 K257	S247-H249 VanDerWaalsContact C-N 3.26Å; S247-H249 PolarHBondContact O-N 3.04Å; H249-K257 PolarHBondContact O-NZ 3.37Å
250	K	46.5	Very low	50.8	Low	196 Å²	196	114.2 Å²	114.2	85%	0.852	58%	0.581	S	S	*	*			trans	-100.2	96	172.4	-84.5	-177.2	176	178.1	0	109.2
251	L	41.9	Very low	52.4	Low	136 Å²	136	115.8 Å²	115.8	71%	0.712	59%	0.587	S	S	*	*	S	Bend	trans	178.3	137.9	142.9	-118	67.9	0	0	0	106
252	F	35.2	Very low	54.6	Low	181 Å²	181	104.8 Å²	104.8	79%	0.794	55%	0.546	S	S	*	.	S	Bend	trans	90.4	119.8	-174.5	-49.3	-71.7	0	0	0	116.4
253	S	40.7	Very low	57.1	Low	76 Å²	76	98.1 Å²	98.1	53%	0.531	52%	0.515	S	S	.	.			trans	24.6	113.5	-172.9	69.4	0	0	0	0	119
254	S	49.4	Very low	59.5	Low	73 Å²	73	95 Å²	95	51%	0.51	50%	0.497	S	S	.	.	S	Bend	trans	-69.5	-29.1	176.8	64.6	0	0	0	0	114.2	K257	S254-K257 PolarHBondContact O-N 3.23Å
255	F	51.8	Low	62.1	Low	105 Å²	105	95 Å²	95	46%	0.461	49%	0.491	S	S	.	.	S	Bend	trans	-75.3	-37	-171.5	-66.2	-75.8	0	0	0	115.1	V196 K257 D258	V196-F255 HydrophobicContact CG2-CD1 3.97Å; V196-F255 HydrophobicContact CG2-CE1 3.94Å; F255-K257 PolarHBondContact O-N 3.06Å; F255-K257 VanDerWaalsContact O-N 3.15Å; F255-D258 WeakPolarHBondContact O-CB 3.35Å; F255-D258 PolarHBondContact O-N 2.88Å
256	V	54	Low	64.8	Low	60 Å²	60	95 Å²	95	36%	0.364	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.5	175.7	-179.8	0	0	0	0	111.7	D258	V256-D258 VanDerWaalsContact C-N 3.32Å
257	K	57.8	Low	67.6	Low	110 Å²	110	89.8 Å²	89.8	48%	0.478	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-19.2	176.6	-65.7	179.3	-179.2	167.1	0	113	H249 S254 F255	H249-K257 PolarHBondContact O-NZ 3.37Å; S254-K257 PolarHBondContact O-N 3.23Å; F255-K257 PolarHBondContact O-N 3.06Å; F255-K257 VanDerWaalsContact O-N 3.15Å
258	D	74.1	Confident	70.4	Confident	67 Å²	67	88.1 Å²	88.1	36%	0.358	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-18.1	-176.5	-63.7	-29.3	0	0	0	112.2	A238 A239 F255 V256	A238-D258 CarbonylContact C-O 3.55Å; A239-D258 VanDerWaalsContact CB-O 3.27Å; A239-D258 WeakPolarHBondContact CB-O 3.41Å; A239-D258 PolarHBondContact N-O 3.09Å; F255-D258 WeakPolarHBondContact O-CB 3.35Å; F255-D258 PolarHBondContact O-N 2.88Å; V256-D258 VanDerWaalsContact C-N 3.32Å
259	Y	87.7	Confident	73.2	Confident	43 Å²	43	83.2 Å²	83.2	17%	0.169	43%	0.431	C	S	.	.	S	Bend	trans	-137.3	71	179.4	-57.3	-80.7	0	0	0	113.3	I193 L199 R237 A238 L261 Y284	I193-Y259 VanDerWaalsContact CD1-CB 3.48Å; I193-Y259 HydrophobicContact CD1-CD1 4.4Å; I193-Y259 HydrophobicContact CD1-CG 3.91Å; I193-Y259 HydrophobicContact CG2-CD2 4.3Å; L199-Y259 HydrophobicContact CD1-CD1 4.44Å; L199-Y259 HydrophobicContact CD1-CE1 3.66Å; L199-Y259 HydrophobicContact CD1-CE2 3.95Å; L199-Y259 VanDerWaalsContact CD1-OH 3.29Å; L199-Y259 WeakPolarHBondContact CD1-OH 3.22Å; L199-Y259 HydrophobicContact CD2-CD1 4.27Å; L199-Y259 HydrophobicContact CD2-CE1 4.25Å; R237-Y259 WeakPolarHBondContact O-CA 3.2Å; A238-Y259 HydrophobicContact CB-CE1 4.33Å; Y259-L261 PolarHBondContact O-N 2.91Å; Y259-Y284 HydrophobicContact CD1-CD2 4.04Å; Y259-Y284 HydrophobicContact CD1-CE2 4.01Å; Y259-Y284 HydrophobicContact CE1-CD2 4.09Å; Y259-Y284 AromaticContact CE1-CE2 3.61Å; Y259-Y284 HydrophobicContact CE1-CE2 3.61Å
260	P	89.8	Confident	75.9	Confident	40 Å²	40	79.7 Å²	79.7	26%	0.26	42%	0.415	S	S	.	.			trans	-59.6	136.4	175.5	22.8	-35.6	0	0	0	112.8	F236 R237	F236-P260 WeakPolarHBondContact CA-O 3.36Å; R237-P260 HydrophobicContact CB-CG 4.49Å; R237-P260 PolarHBondContact N-O 3.31Å; R237-P260 WeakPolarHBondContact O-CD 3.39Å
261	L	92.8	Very high	78.3	Confident	57 Å²	57	75.4 Å²	75.4	30%	0.298	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	132.9	169	-173.6	71.4	0	0	0	110	R234 F236 Y259 L263	R234-L261 HydrophobicContact CB-CD1 4.11Å; R234-L261 HydrophobicContact CG-CD1 4.27Å; F236-L261 HydrophobicContact CD1-CB 4.21Å; F236-L261 HydrophobicContact CD1-CD1 3.94Å; F236-L261 HydrophobicContact CE1-CB 4.26Å; F236-L261 HydrophobicContact CE1-CD1 3.55Å; F236-L261 HydrophobicContact CZ-CD1 3.99Å; Y259-L261 PolarHBondContact O-N 2.91Å; L261-L263 WeakPolarHBondContact CD1-O 3.4Å
262	V	95.9	Very high	80.7	Confident	4 Å²	4	69 Å²	69	2%	0.024	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-44.6	-179.2	-175.6	0	0	0	0	110.8	M223 V235 R237 V267 Q270 V272 F283	M223-V262 HydrophobicContact CB-CG1 4.33Å; M223-V262 HydrophobicContact SD-CG1 4Å; V235-V262 HydrophobicContact CG1-CB 4.4Å; V235-V262 WeakPolarHBondContact O-CA 3.31Å; V235-V262 WeakPolarHBondContact O-CB 3.35Å; V235-V262 PolarHBondContact O-N 2.9Å; R237-V262 HydrophobicContact CB-CG2 3.57Å; V262-V267 VanDerWaalsContact O-CG1 3.32Å; V262-V267 WeakPolarHBondContact O-CG1 3.23Å; V262-Q270 HydrophobicContact CG1-CB 3.92Å; V262-Q270 HydrophobicContact CG1-CG 4.13Å; V262-Q270 WeakPolarHBondContact O-CB 3.36Å; V262-V272 HydrophobicContact CG1-CG1 4.2Å; V262-F283 HydrophobicContact CG1-CE1 4.36Å; V262-F283 HydrophobicContact CG2-CD1 4.16Å; V262-F283 HydrophobicContact CG2-CE1 4.05Å
263	L	98.2	Very high	83.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141	178.8	-58.6	172.5	0	0	0	111.1	M223 I225 R234 V235 L261 V267 I301	M223-L263 HydrophobicContact CG-CD1 3.6Å; M223-L263 HydrophobicContact CG-CD2 4.48Å; M223-L263 HydrophobicContact CG-CG 4.23Å; M223-L263 HydrophobicContact SD-CD1 3.7Å; M223-L263 HydrophobicContact SD-CG 4.23Å; I225-L263 HydrophobicContact CB-CD1 4.38Å; I225-L263 HydrophobicContact CD1-CB 3.8Å; I225-L263 HydrophobicContact CD1-CD1 4.34Å; I225-L263 HydrophobicContact CG1-CB 4.26Å; I225-L263 HydrophobicContact CG1-CD1 4.2Å; I225-L263 HydrophobicContact CG1-CD2 4.25Å; I225-L263 HydrophobicContact CG1-CG 4.47Å; I225-L263 HydrophobicContact CG2-CD1 3.49Å; I225-L263 VanDerWaalsContact CG2-CD1 3.49Å; R234-L263 WeakPolarHBondContact CA-O 3.27Å; V235-L263 HydrophobicContact CB-CB 4Å; V235-L263 HydrophobicContact CB-CD1 4.34Å; V235-L263 HydrophobicContact CB-CG 4.35Å; V235-L263 HydrophobicContact CG2-CB 4.03Å; V235-L263 HydrophobicContact CG2-CD1 3.93Å; V235-L263 HydrophobicContact CG2-CG 4.4Å; V235-L263 PolarHBondContact N-O 2.88Å; V235-L263 PolarHBondContact O-N 2.85Å; L261-L263 WeakPolarHBondContact CD1-O 3.4Å; L263-V267 VanDerWaalsContact CA-O 3.29Å; L263-V267 WeakPolarHBondContact CA-O 3.39Å; L263-I301 HydrophobicContact CD1-CG2 4Å
264	S	97.3	Very high	85.9	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.042	32%	0.32	C	S	.	.	S	Bend	trans	-162.4	-179.9	174.3	67	0	0	0	0	110	E266 V267	S264-E266 PolarHBondContact O-N 2.97Å; S264-E266 PolarHBondContact OG-N 3.27Å; S264-V267 PolarHBondContact N-O 2.96Å; S264-V267 CarbonylContact O-C 3.57Å; S264-V267 PolarHBondContact O-N 3.05Å; S264-V267 VanDerWaalsContact O-N 3.08Å; S264-V267 VanDerWaalsContact O-O 3.07Å; S264-V267 PolarHBondContact OG-N 2.89Å
265	S	96.1	Very high	87.8	Confident	76 Å²	76	59.6 Å²	59.6	53%	0.531	31%	0.31	S	S	.	.	S	Bend	trans	-55	-29.2	170.2	56.1	0	0	0	0	113.9	A230	A230-S265 PolarHBondContact O-N 2.95Å
266	E	96.3	Very high	89.5	Confident	179 Å²	179	55 Å²	55	84%	0.836	29%	0.293	S	S	*	.	S	Bend	trans	-91.2	-21.6	177	-61.1	-175.8	171.5	0	0	113.1	S264	S264-E266 PolarHBondContact O-N 2.97Å; S264-E266 PolarHBondContact OG-N 3.27Å
267	V	96.6	Very high	91.3	Very high	43 Å²	43	53.9 Å²	53.9	26%	0.261	29%	0.293	S	S	.	.			trans	-124.8	85.4	-176.5	-171.8	0	0	0	0	109.5	V262 L263 S264 S269 Q270	V262-V267 VanDerWaalsContact O-CG1 3.32Å; V262-V267 WeakPolarHBondContact O-CG1 3.23Å; L263-V267 VanDerWaalsContact CA-O 3.29Å; L263-V267 WeakPolarHBondContact CA-O 3.39Å; S264-V267 PolarHBondContact N-O 2.96Å; S264-V267 CarbonylContact O-C 3.57Å; S264-V267 PolarHBondContact O-N 3.05Å; S264-V267 VanDerWaalsContact O-N 3.08Å; S264-V267 VanDerWaalsContact O-O 3.07Å; S264-V267 PolarHBondContact OG-N 2.89Å; V267-S269 VanDerWaalsContact C-N 3.3Å; V267-S269 PolarHBondContact O-N 2.83Å; V267-Q270 HydrophobicContact CG1-CB 4.19Å
268	L	98.1	Very high	93	Very high	64 Å²	64	52.5 Å²	52.5	34%	0.335	30%	0.298	S	S	.	.	S	Bend	trans	-75.9	-18.6	-178.1	-57.4	-176.3	0	0	0	113.6	H224 I225 Q227 A230	H224-L268 VanDerWaalsContact CA-O 3.23Å; H224-L268 WeakPolarHBondContact CA-O 3.3Å; H224-L268 WeakPolarHBondContact CB-O 3.49Å; I225-L268 PolarHBondContact N-O 3.08Å; Q227-L268 HydrophobicContact CB-CD1 4.25Å; A230-L268 HydrophobicContact CB-CD2 3.4Å
269	S	97.7	Very high	93.9	Very high	71 Å²	71	50.1 Å²	50.1	50%	0.497	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	138.7	179	67.8	0	0	0	0	111.6	M223 V267	M223-S269 CarbonylContact O-C 3.6Å; M223-S269 VanDerWaalsContact O-CA 3.22Å; M223-S269 WeakPolarHBondContact O-CA 3.3Å; V267-S269 VanDerWaalsContact C-N 3.3Å; V267-S269 PolarHBondContact O-N 2.83Å
270	Q	96.8	Very high	94.3	Very high	87 Å²	87	53.5 Å²	53.5	41%	0.407	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	139.1	179.6	-178.4	56.4	53	0	0	110.9	T222 M223 V262 V267 V272	T222-Q270 WeakPolarHBondContact CA-O 3.18Å; M223-Q270 PolarHBondContact N-O 3.18Å; M223-Q270 PolarHBondContact O-N 2.76Å; V262-Q270 HydrophobicContact CG1-CB 3.92Å; V262-Q270 HydrophobicContact CG1-CG 4.13Å; V262-Q270 WeakPolarHBondContact O-CB 3.36Å; V267-Q270 HydrophobicContact CG1-CB 4.19Å; Q270-V272 PolarHBondContact O-N 3.44Å
271	E	95.6	Very high	94.5	Very high	105 Å²	105	52.3 Å²	52.3	49%	0.491	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	131.9	172	-172.8	-179.9	140.9	0	0	110.1	K220 L221	K220-E271 HydrophobicContact CB-CG 4.24Å; K220-E271 HydrophobicContact CD-CG 4.25Å; K220-E271 WeakPolarHBondContact CD-OE2 3.49Å; L221-E271 WeakPolarHBondContact O-CA 3.26Å; L221-E271 WeakPolarHBondContact O-CG 3.41Å
272	V	93.4	Very high	94.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.1	176.7	-59.8	0	0	0	0	110.4	L207 L221 M223 V262 Q270 Y274 F283 L303	L207-V272 HydrophobicContact CD2-CG2 3.93Å; L221-V272 HydrophobicContact CB-CG2 3.45Å; L221-V272 VanDerWaalsContact CB-CG2 3.45Å; L221-V272 HydrophobicContact CD1-CG2 4.49Å; L221-V272 PolarHBondContact O-N 3.4Å; M223-V272 HydrophobicContact CB-CG1 3.83Å; M223-V272 HydrophobicContact CE-CG1 4.49Å; V262-V272 HydrophobicContact CG1-CG1 4.2Å; Q270-V272 PolarHBondContact O-N 3.44Å; V272-Y274 PolarHBondContact O-N 3.47Å; V272-F283 HydrophobicContact CB-CZ 4.41Å; V272-F283 HydrophobicContact CG1-CE1 4.14Å; V272-F283 HydrophobicContact CG1-CZ 4.04Å; V272-L303 HydrophobicContact CG2-CD1 3.58Å
273	P	91.7	Very high	94.7	Very high	37 Å²	37	52 Å²	52	24%	0.24	29%	0.294	C	S	.	.			trans	-64.9	136.4	-177.1	-18.7	28.6	0	0	0	112.1	L275 M281	P273-L275 HydrophobicContact CB-CD2 4.3Å; P273-M281 HydrophobicContact CB-CE 4.04Å; P273-M281 HydrophobicContact CG-CE 4.18Å; P273-M281 WeakPolarHBondContact O-CE 3.47Å
274	Y	92.4	Very high	94.8	Very high	35 Å²	35	54 Å²	54	14%	0.137	30%	0.302	C	S	.	.			trans	-92.2	121.7	164.3	175.1	-96	0	0	0	109	T209 G211 P212 L215 L221 V272	T209-Y274 HydrophobicContact CG2-CD2 4.39Å; G211-Y274 VanDerWaalsContact C-OH 3.23Å; G211-Y274 VanDerWaalsContact CA-OH 3.24Å; G211-Y274 WeakPolarHBondContact CA-OH 3.22Å; P212-Y274 VanDerWaalsContact O-CE1 3.24Å; P212-Y274 WeakPolarHBondContact O-CE1 3.37Å; P212-Y274 PolarHBondContact O-OH 2.93Å; L215-Y274 HydrophobicContact CD1-CD2 4.35Å; L215-Y274 HydrophobicContact CD1-CG 4.03Å; L215-Y274 HydrophobicContact CD2-CD1 4.23Å; L215-Y274 HydrophobicContact CD2-CD2 3.92Å; L215-Y274 HydrophobicContact CD2-CE1 4.21Å; L215-Y274 HydrophobicContact CD2-CE2 3.91Å; L215-Y274 HydrophobicContact CD2-CG 4.07Å; L215-Y274 HydrophobicContact CG-CD1 3.72Å; L215-Y274 HydrophobicContact CG-CD2 3.99Å; L215-Y274 HydrophobicContact CG-CE1 4.11Å; L215-Y274 HydrophobicContact CG-CE2 4.38Å; L215-Y274 HydrophobicContact CG-CG 3.62Å; L221-Y274 HydrophobicContact CD1-CD2 4.19Å; V272-Y274 PolarHBondContact O-N 3.47Å
275	L	89	Confident	94.8	Very high	60 Å²	60	53.7 Å²	53.7	31%	0.314	30%	0.3	S	S	.	.			trans	-93.6	-8.4	-174	-58.9	179.8	0	0	0	114	P273 A279 M281	P273-L275 HydrophobicContact CB-CD2 4.3Å; L275-A279 HydrophobicContact CB-CB 3.79Å; L275-A279 HydrophobicContact CD1-CB 4.33Å; L275-M281 HydrophobicContact CD1-CE 3.89Å; L275-M281 HydrophobicContact CD2-CE 4.26Å; L275-M281 HydrophobicContact CG-CE 3.98Å
276	G	87.8	Confident	94.9	Very high	9 Å²	9	50.1 Å²	50.1	9%	0.093	28%	0.275	C	S	.	.			trans	69.6	169.7	-177.6	0	0	0	0	0	114.7	P212 A213	P212-G276 VanDerWaalsContact O-CA 3.29Å; P212-G276 WeakPolarHBondContact O-CA 3.22Å; A213-G276 WeakPolarHBondContact O-CA 3.48Å
277	G	92.4	Very high	95.1	Very high	36 Å²	36	41.6 Å²	41.6	37%	0.371	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60.2	-145.4	-177	0	0	0	0	0	111.3	R210 G211	R210-G277 CarbonylContact C-O 3.54Å; R210-G277 WeakPolarHBondContact CA-O 3.26Å; G211-G277 PolarHBondContact N-O 3.49Å; G211-G277 WeakPolarHBondContact O-CA 3.17Å; G211-G277 PolarHBondContact O-N 3.13Å; G211-G277 VanDerWaalsContact O-N 3.17Å
278	S	93.9	Very high	95.2	Very high	82 Å²	82	41.2 Å²	41.2	57%	0.573	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	111.5	169.9	-174.1	0	0	0	0	108.1	R210	R210-S278 PolarHBondContact NH2-OG 2.92Å
279	A	93.2	Very high	95.1	Very high	17 Å²	17	41 Å²	41	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.1	-172.8	0	0	0	0	0	112.2	R208 T209 L275	R208-A279 WeakPolarHBondContact CA-O 3.16Å; T209-A279 PolarHBondContact N-O 2.92Å; T209-A279 PolarHBondContact O-N 2.78Å; L275-A279 HydrophobicContact CB-CB 3.79Å; L275-A279 HydrophobicContact CD1-CB 4.33Å
280	E	94.8	Very high	95.2	Very high	114 Å²	114	37.8 Å²	37.8	53%	0.533	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.7	171.2	-58.3	-165.5	153.8	0	0	109.5	V206 L207 R208	V206-E280 HydrophobicContact CG1-CB 4.14Å; L207-E280 CarbonylContact O-C 3.56Å; L207-E280 VanDerWaalsContact O-CA 3.32Å; L207-E280 WeakPolarHBondContact O-CA 3.45Å; R208-E280 VanDerWaalsContact CD-OE1 3.3Å; R208-E280 WeakPolarHBondContact CD-OE1 3.39Å; R208-E280 HydrophobicContact CG-CG 4.05Å; R208-E280 IonicContact CZ-OE1 3.75Å; R208-E280 IonicContact NE-OE1 2.78Å; R208-E280 PolarHBondContact NE-OE1 3.47Å
281	M	94.4	Very high	95.3	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.069	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	122.7	178.3	177.5	179.6	-66.2	0	0	109.7	V206 L207 R237 P273 L275 F283	V206-M281 WeakPolarHBondContact CA-O 3.41Å; L207-M281 HydrophobicContact CB-CB 4.32Å; L207-M281 PolarHBondContact N-O 3.09Å; L207-M281 PolarHBondContact O-N 3.33Å; R237-M281 WeakPolarHBondContact CD-SD 3.39Å; R237-M281 HydrophobicContact CG-CG 3.94Å; R237-M281 HydrophobicContact CG-SD 3.86Å; P273-M281 HydrophobicContact CB-CE 4.04Å; P273-M281 HydrophobicContact CG-CE 4.18Å; P273-M281 WeakPolarHBondContact O-CE 3.47Å; L275-M281 HydrophobicContact CD1-CE 3.89Å; L275-M281 HydrophobicContact CD2-CE 4.26Å; L275-M281 HydrophobicContact CG-CE 3.98Å; M281-F283 HydrophobicContact CB-CE2 4.36Å; M281-F283 HydrophobicContact CG-CE2 3.86Å; M281-F283 HydrophobicContact CG-CZ 4.02Å; M281-F283 HydrophobicContact SD-CE1 4.47Å; M281-F283 HydrophobicContact SD-CE2 4.05Å; M281-F283 HydrophobicContact SD-CZ 3.65Å
282	N	96	Very high	95.4	Very high	54 Å²	54	29.9 Å²	29.9	29%	0.289	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.5	-178.3	-67.8	3.6	0	0	0	111.1	L204 A238	L204-N282 HydrophobicContact CD1-CB 3.8Å; A238-N282 HydrophobicContact CB-CB 4.37Å; A238-N282 PolarHBondContact N-O 2.76Å
283	F	97.9	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.9	168.9	-59	-96.1	0	0	0	109	M205 L207 M223 V235 F236 R237 V262 V272 M281	M205-F283 HydrophobicContact CB-CB 4.19Å; M205-F283 HydrophobicContact CE-CB 3.67Å; M205-F283 HydrophobicContact CE-CD2 4.27Å; M205-F283 HydrophobicContact CE-CG 3.92Å; M205-F283 PolarHBondContact N-O 2.99Å; M205-F283 WeakPolarHBondContact O-CA 3.44Å; M205-F283 PolarHBondContact O-N 3.44Å; L207-F283 HydrophobicContact CB-CD2 4.46Å; L207-F283 HydrophobicContact CB-CE2 3.65Å; L207-F283 HydrophobicContact CD2-CE2 4.44Å; M223-F283 HydrophobicContact CE-CD1 3.93Å; M223-F283 HydrophobicContact CE-CD2 4.11Å; M223-F283 HydrophobicContact CE-CE1 3.66Å; M223-F283 HydrophobicContact CE-CE2 3.87Å; M223-F283 HydrophobicContact CE-CG 4.15Å; M223-F283 HydrophobicContact CE-CZ 3.64Å; M223-F283 HydrophobicContact SD-CD1 4.37Å; M223-F283 HydrophobicContact SD-CE1 4.29Å; V235-F283 HydrophobicContact CG1-CB 3.95Å; V235-F283 HydrophobicContact CG1-CD1 3.96Å; V235-F283 HydrophobicContact CG1-CG 4.34Å; F236-F283 CarbonylContact O-C 3.48Å; F236-F283 WeakPolarHBondContact O-CA 3.5Å; F236-F283 WeakPolarHBondContact O-CB 3.29Å; R237-F283 HydrophobicContact CB-CD1 3.73Å; R237-F283 HydrophobicContact CB-CE1 3.75Å; R237-F283 HydrophobicContact CG-CD1 4.02Å; R237-F283 HydrophobicContact CG-CE1 3.72Å; R237-F283 HydrophobicContact CG-CZ 4.18Å; V262-F283 HydrophobicContact CG1-CE1 4.36Å; V262-F283 HydrophobicContact CG2-CD1 4.16Å; V262-F283 HydrophobicContact CG2-CE1 4.05Å; V272-F283 HydrophobicContact CB-CZ 4.41Å; V272-F283 HydrophobicContact CG1-CE1 4.14Å; V272-F283 HydrophobicContact CG1-CZ 4.04Å; M281-F283 HydrophobicContact CB-CE2 4.36Å; M281-F283 HydrophobicContact CG-CE2 3.86Å; M281-F283 HydrophobicContact CG-CZ 4.02Å; M281-F283 HydrophobicContact SD-CE1 4.47Å; M281-F283 HydrophobicContact SD-CE2 4.05Å; M281-F283 HydrophobicContact SD-CZ 3.65Å
284	Y	98.3	Very high	95.8	Very high	42 Å²	42	40.2 Å²	40.2	17%	0.165	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.5	176.1	-61.1	-90.2	0	0	0	107.6	L199 M202 L204 V235 F236 A238 Y259	L199-Y284 HydrophobicContact CB-CD1 4.13Å; L199-Y284 HydrophobicContact CB-CE1 4.12Å; L199-Y284 HydrophobicContact CD1-CE1 4.34Å; L199-Y284 HydrophobicContact CD2-CD1 3.99Å; L199-Y284 HydrophobicContact CD2-CD2 4.09Å; L199-Y284 HydrophobicContact CD2-CE1 4.39Å; L199-Y284 HydrophobicContact CD2-CE2 4.48Å; L199-Y284 HydrophobicContact CD2-CG 3.83Å; M202-Y284 HydrophobicContact CB-CD1 4.42Å; L204-Y284 HydrophobicContact CD1-CD1 4.49Å; L204-Y284 HydrophobicContact CD1-CE1 4.14Å; V235-Y284 WeakPolarHBondContact CA-O 3.48Å; F236-Y284 PolarHBondContact N-O 3.31Å; F236-Y284 PolarHBondContact O-N 3Å; A238-Y284 HydrophobicContact CB-CE2 4.22Å; Y259-Y284 HydrophobicContact CD1-CD2 4.04Å; Y259-Y284 HydrophobicContact CD1-CE2 4.01Å; Y259-Y284 HydrophobicContact CE1-CD2 4.09Å; Y259-Y284 AromaticContact CE1-CE2 3.61Å; Y259-Y284 HydrophobicContact CE1-CE2 3.61Å
285	V	98.8	Very high	96.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.7	-173.4	-171.4	0	0	0	0	108.3	L172 M202 S203 M205 V233 R234 V235 I301 F325	L172-V285 HydrophobicContact CD1-CB 4.09Å; L172-V285 HydrophobicContact CD1-CG1 3.83Å; L172-V285 WeakPolarHBondContact CD1-O 3.42Å; L172-V285 HydrophobicContact CD2-CG1 4.07Å; M202-V285 CarbonylContact C-O 3.52Å; M202-V285 VanDerWaalsContact CA-O 3.28Å; M202-V285 WeakPolarHBondContact CA-O 3.48Å; M202-V285 WeakPolarHBondContact CB-O 3.31Å; S203-V285 PolarHBondContact N-O 3.41Å; S203-V285 PolarHBondContact O-N 3.07Å; M205-V285 HydrophobicContact CB-CG2 3.93Å; M205-V285 HydrophobicContact CE-CG2 4.11Å; M205-V285 HydrophobicContact SD-CG2 4.47Å; V233-V285 HydrophobicContact CG2-CG1 3.41Å; V233-V285 VanDerWaalsContact CG2-CG1 3.41Å; R234-V285 WeakPolarHBondContact O-CA 3.03Å; V235-V285 HydrophobicContact CG1-CG2 4.41Å; V235-V285 HydrophobicContact CG2-CG1 4.31Å; V235-V285 HydrophobicContact CG2-CG2 4.31Å; V285-I301 HydrophobicContact CG1-CD1 4.06Å; V285-I301 HydrophobicContact CG2-CD1 4.35Å; V285-F325 HydrophobicContact CB-CZ 4.45Å; V285-F325 HydrophobicContact CG1-CE2 4.48Å; V285-F325 HydrophobicContact CG2-CE2 4.38Å; V285-F325 HydrophobicContact CG2-CZ 4.18Å
286	E	98.6	Very high	96.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.6	175	66.3	-179.9	158.6	0	0	111.2	N175 M202 V233 R234 F236 L288	N175-E286 HydrophobicContact CB-CB 3.93Å; N175-E286 WeakPolarHBondContact CB-OE2 3.47Å; N175-E286 PolarHBondContact ND2-OE2 3.22Å; M202-E286 HydrophobicContact CE-CB 4.21Å; M202-E286 HydrophobicContact CE-CG 4.44Å; M202-E286 HydrophobicContact CG-CB 4.04Å; M202-E286 HydrophobicContact SD-CB 4.31Å; V233-E286 WeakPolarHBondContact CA-O 3.34Å; V233-E286 WeakPolarHBondContact CG2-O 3.46Å; R234-E286 HydrophobicContact CB-CG 3.87Å; R234-E286 WeakPolarHBondContact CB-OE1 3.5Å; R234-E286 IonicContact CZ-OE1 2.63Å; R234-E286 PolarHBondContact N-O 3.19Å; R234-E286 VanDerWaalsContact N-O 3.13Å; R234-E286 IonicContact NE-OE1 2.76Å; R234-E286 PolarHBondContact NE-OE1 3.36Å; R234-E286 VanDerWaalsContact NH2-CD 3.3Å; R234-E286 IonicContact NH2-OE1 3.33Å; R234-E286 PolarHBondContact NH2-OE1 3.32Å; R234-E286 IonicContact NH2-OE2 3.43Å; R234-E286 PolarHBondContact NH2-OE2 3.05Å; R234-E286 PolarHBondContact O-N 3.47Å; F236-E286 HydrophobicContact CE2-CG 4.14Å; F236-E286 WeakPolarHBondContact CE2-OE1 3.36Å; F236-E286 VanDerWaalsContact CZ-OE1 3.24Å; F236-E286 WeakPolarHBondContact CZ-OE1 3.48Å; E286-L288 HydrophobicContact CG-CD2 4.15Å
287	G	98.7	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.8	170.1	0	0	0	0	0	110.9	L173 V174 N175	L173-G287 VanDerWaalsContact O-CA 3.31Å; L173-G287 WeakPolarHBondContact O-CA 3.24Å; L173-G287 PolarHBondContact O-N 3.18Å; V174-G287 WeakPolarHBondContact CA-O 3.3Å; N175-G287 PolarHBondContact N-O 3.17Å
288	L	98.7	Very high	97.3	Very high	36 Å²	36	40.8 Å²	40.8	19%	0.188	21%	0.208	C	C	.	.			trans	-99	-25.4	-178.9	-53	180	0	0	0	113.3	N188 S232 R234 E286	N188-L288 HydrophobicContact CB-CD2 3.97Å; N188-L288 PolarHBondContact ND2-O 3.09Å; S232-L288 PolarHBondContact O-N 3.28Å; R234-L288 HydrophobicContact CB-CD2 4.35Å; R234-L288 HydrophobicContact CG-CD1 3.98Å; R234-L288 HydrophobicContact CG-CD2 3.93Å; R234-L288 HydrophobicContact CG-CG 4.4Å; E286-L288 HydrophobicContact CG-CD2 4.15Å
289	R	97.8	Very high	97.5	Very high	59 Å²	59	36.9 Å²	36.9	22%	0.223	18%	0.18	C	C	.	.	S	Bend	trans	-146.6	146.1	-177.2	51.9	-179.7	-82.1	-174.2	2.9	110.8	S232 D294 F295	S232-R289 WeakPolarHBondContact OG-CD 3.44Å; S232-R289 WeakPolarHBondContact OG-CG 3.45Å; R289-D294 IonicContact CZ-OD1 2.66Å; R289-D294 IonicContact CZ-OD2 3.96Å; R289-D294 IonicContact NH1-OD2 3.05Å; R289-D294 PolarHBondContact NH1-OD2 2.74Å; R289-D294 VanDerWaalsContact NH1-OD2 3.15Å; R289-D294 IonicContact NH2-OD1 2.68Å; R289-D294 PolarHBondContact NH2-OD1 3.16Å; R289-D294 IonicContact NH2-OD2 2.75Å; R289-D294 PolarHBondContact NH2-OD2 2.9Å; R289-F295 HydrophobicContact CG-CD1 4.37Å; R289-F295 VanDerWaalsContact NH2-CB 3.28Å
290	F	98.8	Very high	97.8	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.018	18%	0.183	C	C	.	.			trans	-67.3	160.2	173.5	-74.2	-90.6	0	0	0	111.8	V174 C176 D292 F295 W330 I391 V400 V426 F484	V174-F290 HydrophobicContact CB-CD2 4.16Å; V174-F290 HydrophobicContact CB-CE1 4.36Å; V174-F290 HydrophobicContact CB-CE2 3.82Å; V174-F290 HydrophobicContact CB-CZ 3.93Å; V174-F290 HydrophobicContact CG1-CD2 4.04Å; V174-F290 HydrophobicContact CG1-CE2 3.82Å; V174-F290 HydrophobicContact CG1-CZ 4.41Å; V174-F290 HydrophobicContact CG2-CB 4.45Å; V174-F290 HydrophobicContact CG2-CD1 3.91Å; V174-F290 HydrophobicContact CG2-CD2 3.87Å; V174-F290 HydrophobicContact CG2-CE1 4.06Å; V174-F290 HydrophobicContact CG2-CE2 3.99Å; V174-F290 HydrophobicContact CG2-CG 3.82Å; V174-F290 HydrophobicContact CG2-CZ 4.08Å; C176-F290 HydrophobicContact CB-CE2 4.43Å; F290-D292 PolarHBondContact O-N 3.06Å; F290-F295 WeakPolarHBondContact O-CD1 3.18Å; F290-W330 HydrophobicContact CD1-CB 4.01Å; F290-W330 HydrophobicContact CE1-CB 3.81Å; F290-I391 HydrophobicContact CE1-CG2 3.48Å; F290-I391 VanDerWaalsContact CE1-CG2 3.48Å; F290-I391 HydrophobicContact CZ-CG2 3.92Å; F290-V400 HydrophobicContact CZ-CG1 4.12Å; F290-V426 HydrophobicContact CD2-CB 4.27Å; F290-V426 HydrophobicContact CD2-CG2 3.76Å; F290-V426 HydrophobicContact CE2-CB 3.87Å; F290-V426 HydrophobicContact CE2-CG1 4.31Å; F290-V426 HydrophobicContact CE2-CG2 3.89Å; F290-F484 HydrophobicContact CB-CE2 3.69Å; F290-F484 HydrophobicContact CG-CE2 4.07Å; F290-F484 HydrophobicContact CG-CZ 4.48Å
291	P	98.7	Very high	97.9	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.013	16%	0.157	C	C	.	.			trans	-49.2	137.6	163.2	-24.4	34.9	0	0	0	110.6	F295 V327 A487 Q488	P291-F295 WeakPolarHBondContact CA-O 3.4Å; P291-V327 HydrophobicContact CG-CB 4.49Å; P291-A487 HydrophobicContact CB-CB 4.49Å; P291-Q488 PolarHBondContact O-NE2 3.12Å
292	D	98.4	Very high	98.1	Very high	24 Å²	24	32.4 Å²	32.4	13%	0.128	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-149.2	178.3	-179.7	-145.2	-50.9	0	0	0	109.5	F290 D294 F295 R428	F290-D292 PolarHBondContact O-N 3.06Å; D292-D294 PolarHBondContact O-N 3.44Å; D292-D294 VanDerWaalsContact O-N 3.1Å; D292-F295 PolarHBondContact N-O 3.48Å; D292-F295 CarbonylContact O-C 3.59Å; D292-F295 PolarHBondContact O-N 2.62Å; D292-R428 IonicContact OD2-CZ 3.78Å; D292-R428 IonicContact OD2-NE 3.71Å; D292-R428 PolarHBondContact OD2-NE 3.15Å; D292-R428 IonicContact OD2-NH2 3.19Å; D292-R428 PolarHBondContact OD2-NH2 3.27Å
293	K	96.8	Very high	98.3	Very high	138 Å²	138	29.9 Å²	29.9	60%	0.6	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-33.5	-178.1	165.8	174.1	169.9	-162.7	0	114.1	D483	K293-D483 HydrophobicContact CB-CB 3.91Å; K293-D483 HydrophobicContact CD-CB 4.22Å; K293-D483 VanDerWaalsContact CD-CG 3.48Å; K293-D483 WeakPolarHBondContact CD-OD2 3.48Å; K293-D483 IonicContact NZ-OD2 3.27Å; K293-D483 PolarHBondContact NZ-OD2 3.11Å
294	D	96.9	Very high	98.3	Very high	118 Å²	118	30.1 Å²	30.1	63%	0.631	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-1.3	179.5	64.8	-45.5	0	0	0	113.4	R289 D292	R289-D294 IonicContact CZ-OD1 2.66Å; R289-D294 IonicContact CZ-OD2 3.96Å; R289-D294 IonicContact NH1-OD2 3.05Å; R289-D294 PolarHBondContact NH1-OD2 2.74Å; R289-D294 VanDerWaalsContact NH1-OD2 3.15Å; R289-D294 IonicContact NH2-OD1 2.68Å; R289-D294 PolarHBondContact NH2-OD1 3.16Å; R289-D294 IonicContact NH2-OD2 2.75Å; R289-D294 PolarHBondContact NH2-OD2 2.9Å; D292-D294 PolarHBondContact O-N 3.44Å; D292-D294 VanDerWaalsContact O-N 3.1Å
295	F	98.1	Very high	98.2	Very high	18 Å²	18	28.2 Å²	28.2	8%	0.079	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-141.9	112.1	-177.1	175.6	-128.6	0	0	0	112.1	R289 F290 P291 D292 G297 L298 I299 V327	R289-F295 HydrophobicContact CG-CD1 4.37Å; R289-F295 VanDerWaalsContact NH2-CB 3.28Å; F290-F295 WeakPolarHBondContact O-CD1 3.18Å; P291-F295 WeakPolarHBondContact CA-O 3.4Å; D292-F295 PolarHBondContact N-O 3.48Å; D292-F295 CarbonylContact O-C 3.59Å; D292-F295 PolarHBondContact O-N 2.62Å; F295-G297 VanDerWaalsContact CZ-CA 3.43Å; F295-G297 PolarHBondContact O-N 2.99Å; F295-G297 VanDerWaalsContact O-N 3.17Å; F295-L298 WeakPolarHBondContact CE2-O 3.28Å; F295-I299 HydrophobicContact CE2-CG1 4.13Å; F295-I299 HydrophobicContact CZ-CD1 3.92Å; F295-I299 HydrophobicContact CZ-CG1 3.86Å; F295-V327 HydrophobicContact CE1-CB 4.35Å; F295-V327 HydrophobicContact CE1-CG2 3.85Å; F295-V327 HydrophobicContact CZ-CG2 3.79Å
296	D	96.8	Very high	98.1	Very high	82 Å²	82	29.3 Å²	29.3	44%	0.439	15%	0.146	S	C	.	.			trans	-77.2	0.3	-175.4	77.2	-14.8	0	0	0	114.8	L298 R326	D296-L298 WeakPolarHBondContact OD1-CB 3.29Å; D296-L298 PolarHBondContact OD1-N 2.85Å; D296-R326 PolarHBondContact O-NH1 2.8Å; D296-R326 PolarHBondContact O-NH2 3.28Å
297	G	98.1	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	90.1	-0.3	-179.8	0	0	0	0	0	115.3	F295 R326 V327	F295-G297 VanDerWaalsContact CZ-CA 3.43Å; F295-G297 PolarHBondContact O-N 2.99Å; F295-G297 VanDerWaalsContact O-N 3.17Å; G297-R326 CarbonylContact O-C 3.5Å; G297-R326 VanDerWaalsContact O-CA 3.28Å; G297-R326 WeakPolarHBondContact O-CA 3.49Å; G297-V327 PolarHBondContact O-N 3.42Å
298	L	98.7	Very high	97.7	Very high	51 Å²	51	34 Å²	34	27%	0.267	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.2	-178.9	-65.1	177.9	0	0	0	112.3	W161 F295 D296 V324 F325 R326	W161-L298 HydrophobicContact CB-CD2 3.87Å; W161-L298 HydrophobicContact CG-CD2 4.09Å; F295-L298 WeakPolarHBondContact CE2-O 3.28Å; D296-L298 WeakPolarHBondContact OD1-CB 3.29Å; D296-L298 PolarHBondContact OD1-N 2.85Å; L298-V324 HydrophobicContact CD2-CG1 4.18Å; L298-F325 WeakPolarHBondContact CA-O 3.46Å; L298-R326 HydrophobicContact CD2-CB 4.04Å
299	I	98.8	Very high	97.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.1	177.5	-70.9	153.6	0	0	0	109.3	L172 D229 V233 F295 I301 V324 F325 V327	L172-I299 HydrophobicContact CD2-CD1 3.84Å; D229-I299 HydrophobicContact CB-CG2 4.32Å; V233-I299 HydrophobicContact CB-CD1 4.08Å; V233-I299 HydrophobicContact CB-CG2 4.03Å; V233-I299 HydrophobicContact CG1-CG2 3.95Å; V233-I299 HydrophobicContact CG2-CG2 4.24Å; F295-I299 HydrophobicContact CE2-CG1 4.13Å; F295-I299 HydrophobicContact CZ-CD1 3.92Å; F295-I299 HydrophobicContact CZ-CG1 3.86Å; I299-I301 HydrophobicContact CG2-CG1 4.34Å; I299-V324 WeakPolarHBondContact O-CA 3.49Å; I299-F325 PolarHBondContact N-O 2.91Å; I299-F325 PolarHBondContact O-N 3.43Å; I299-V327 HydrophobicContact CD1-CG2 3.56Å
300	T	98.8	Very high	96.8	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.19	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.1	176.6	-58.4	0	0	0	0	112	K322 V324	T300-K322 HydrophobicContact CG2-CD 3.56Å; T300-K322 HydrophobicContact CG2-CG 3.58Å; T300-V324 HydrophobicContact CG2-CG2 4.48Å
301	I	98.8	Very high	96.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.5	173.1	-59.2	168.6	0	0	0	109.5	L141 M205 M223 I225 V235 L263 V285 I299 V323 F325	L141-I301 HydrophobicContact CD2-CG2 4.28Å; M205-I301 HydrophobicContact CE-CD1 4.4Å; M205-I301 HydrophobicContact CE-CG2 4.22Å; M205-I301 HydrophobicContact SD-CB 4.5Å; M205-I301 HydrophobicContact SD-CD1 4.26Å; M205-I301 HydrophobicContact SD-CG2 4.15Å; M223-I301 HydrophobicContact CG-CG2 3.97Å; M223-I301 HydrophobicContact SD-CG2 4.07Å; I225-I301 HydrophobicContact CG2-CB 4.22Å; I225-I301 HydrophobicContact CG2-CG1 3.79Å; I225-I301 HydrophobicContact CG2-CG2 4.26Å; V235-I301 HydrophobicContact CG2-CD1 3.75Å; L263-I301 HydrophobicContact CD1-CG2 4Å; V285-I301 HydrophobicContact CG1-CD1 4.06Å; V285-I301 HydrophobicContact CG2-CD1 4.35Å; I299-I301 HydrophobicContact CG2-CG1 4.34Å; I301-V323 HydrophobicContact CB-CG2 3.98Å; I301-V323 PolarHBondContact N-O 3.26Å; I301-V323 PolarHBondContact O-N 3Å; I301-F325 HydrophobicContact CD1-CD2 4.29Å; I301-F325 HydrophobicContact CD1-CE2 4.09Å
302	N	98.6	Very high	95.7	Very high	21 Å²	21	53.8 Å²	53.8	11%	0.112	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.8	-176.3	-51.7	-88.9	0	0	0	111.1	M223 H224 T320 D321 K322	M223-N302 CarbonylContact C-O 3.51Å; M223-N302 VanDerWaalsContact CA-O 3.31Å; M223-N302 WeakPolarHBondContact CA-O 3.36Å; M223-N302 WeakPolarHBondContact CG-O 3.39Å; H224-N302 WeakPolarHBondContact CE1-CB 3.38Å; H224-N302 PolarHBondContact N-O 2.88Å; H224-N302 PolarHBondContact O-N 2.82Å; H224-N302 PolarHBondContact O-ND2 3.11Å; N302-T320 HydrophobicContact CB-CG2 4.08Å; N302-D321 WeakPolarHBondContact CA-O 3.2Å; N302-K322 VanDerWaalsContact OD1-CE 3.27Å; N302-K322 WeakPolarHBondContact OD1-CE 3.44Å
303	L	98.3	Very high	95.3	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.1	169	-179.9	72.1	0	0	0	109.5	I139 L141 L207 L221 M223 V272 T320 D321	I139-L303 HydrophobicContact CG2-CD2 3.74Å; L141-L303 HydrophobicContact CB-CB 4.33Å; L141-L303 HydrophobicContact CB-CD2 4.41Å; L141-L303 HydrophobicContact CD2-CB 4.09Å; L207-L303 HydrophobicContact CD1-CD2 3.31Å; L207-L303 HydrophobicContact CD2-CD2 4.09Å; L207-L303 HydrophobicContact CG-CD2 4.27Å; L221-L303 HydrophobicContact CB-CD1 4.31Å; M223-L303 HydrophobicContact CB-CD1 4.27Å; V272-L303 HydrophobicContact CG2-CD1 3.58Å; L303-T320 CarbonylContact O-C 3.54Å; L303-T320 VanDerWaalsContact O-CA 3.27Å; L303-T320 WeakPolarHBondContact O-CA 3.24Å; L303-D321 PolarHBondContact N-O 3.24Å; L303-D321 PolarHBondContact O-N 2.95Å
304	S	98.2	Very high	95	Very high	5 Å²	5	55.5 Å²	55.5	4%	0.035	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.9	179.4	-67.7	0	0	0	0	112.4	L221 T222 H224 F319 T320	L221-S304 WeakPolarHBondContact CA-O 3.3Å; T222-S304 PolarHBondContact N-O 3.24Å; T222-S304 PolarHBondContact O-N 3.18Å; H224-S304 PolarHBondContact NE2-OG 2.85Å; S304-F319 CarbonylContact C-O 3.55Å; S304-F319 VanDerWaalsContact CA-O 3.26Å; S304-F319 WeakPolarHBondContact CA-O 3.22Å; S304-T320 PolarHBondContact OG-OG1 2.87Å
305	L	97.6	Very high	94.8	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.4	165.4	177.7	66.2	0	0	0	108.6	L42 V44 I137 I139 L215 L221 I318 F319	L42-L305 HydrophobicContact CD2-CD1 3.91Å; L42-L305 HydrophobicContact CD2-CD2 3.75Å; L42-L305 HydrophobicContact CD2-CG 4.24Å; L42-L305 HydrophobicContact CG-CD2 4.25Å; V44-L305 HydrophobicContact CG2-CD2 3.66Å; I137-L305 HydrophobicContact CD1-CD1 4.25Å; I137-L305 HydrophobicContact CD1-CD2 3.9Å; I139-L305 HydrophobicContact CD1-CB 4.14Å; I139-L305 HydrophobicContact CD1-CD1 4.31Å; I139-L305 HydrophobicContact CD1-CD2 3.92Å; I139-L305 HydrophobicContact CD1-CG 4.36Å; L215-L305 HydrophobicContact CD1-CD1 4.37Å; L221-L305 HydrophobicContact CD2-CB 4.14Å; L221-L305 HydrophobicContact CD2-CD1 3.81Å; L305-I318 HydrophobicContact CB-CG1 4.13Å; L305-I318 HydrophobicContact CD2-CD1 3.5Å; L305-I318 VanDerWaalsContact CD2-CD1 3.5Å; L305-I318 HydrophobicContact CD2-CG1 3.83Å; L305-I318 HydrophobicContact CG-CD1 3.81Å; L305-I318 HydrophobicContact CG-CG1 3.75Å; L305-I318 WeakPolarHBondContact O-CG1 3.4Å; L305-I318 PolarHBondContact O-N 3.24Å; L305-F319 HydrophobicContact CB-CB 4.17Å; L305-F319 PolarHBondContact N-O 3.1Å
306	L	96.6	Very high	94.6	Very high	24 Å²	24	55.5 Å²	55.5	13%	0.126	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.5	-175.9	-58.7	-172.8	0	0	0	110.8	Y219 K220 T222 E315 P317	Y219-L306 WeakPolarHBondContact CA-O 3.5Å; Y219-L306 WeakPolarHBondContact CD1-O 3.39Å; K220-L306 HydrophobicContact CG-CB 4.03Å; K220-L306 HydrophobicContact CG-CD1 4.38Å; K220-L306 PolarHBondContact N-O 2.84Å; K220-L306 PolarHBondContact O-N 2.87Å; T222-L306 HydrophobicContact CG2-CD1 4.49Å; T222-L306 WeakPolarHBondContact OG1-CD1 3.42Å; L306-E315 HydrophobicContact CB-CB 4.06Å; L306-E315 HydrophobicContact CD1-CB 4.46Å; L306-P317 HydrophobicContact CD2-CB 3.77Å
307	Q	94.6	Very high	94.5	Very high	56 Å²	56	55.2 Å²	55.2	26%	0.262	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.3	175.2	173.2	175.2	3.9	0	0	110.3	Y219 E315 T316 I318	Y219-Q307 HydrophobicContact CD1-CB 4.16Å; Y219-Q307 HydrophobicContact CE1-CB 3.62Å; Y219-Q307 HydrophobicContact CE1-CG 3.75Å; Y219-Q307 HydrophobicContact CE2-CG 4.49Å; Y219-Q307 PolarHBondContact OH-NE2 3.24Å; Q307-E315 WeakPolarHBondContact O-CA 3.3Å; Q307-E315 WeakPolarHBondContact O-CB 3.42Å; Q307-T316 PolarHBondContact N-O 2.97Å; Q307-T316 PolarHBondContact O-N 2.81Å; Q307-I318 HydrophobicContact CB-CG1 4.44Å; Q307-I318 HydrophobicContact CB-CG2 3.57Å
308	P	93.4	Very high	94.3	Very high	44 Å²	44	55.6 Å²	55.6	29%	0.286	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-71.1	144.5	173.6	32.5	-36.3	0	0	0	110.4	G218 Y219	G218-P308 VanDerWaalsContact C-CG 3.49Å; G218-P308 WeakPolarHBondContact O-CD 3.38Å; Y219-P308 HydrophobicContact CD2-CG 4.11Å; Y219-P308 HydrophobicContact CE2-CG 4.28Å
309	V	89.3	Confident	94.2	Very high	82 Å²	82	54.3 Å²	54.3	50%	0.497	31%	0.31	S	S	.	.			trans	-111.4	-67.5	176.3	-176.7	0	0	0	0	110	I313	V309-I313 HydrophobicContact CB-CB 4.29Å; V309-I313 HydrophobicContact CB-CG2 4.03Å; V309-I313 HydrophobicContact CG1-CB 4.38Å; V309-I313 HydrophobicContact CG1-CD1 4.23Å; V309-I313 HydrophobicContact CG1-CG2 3.98Å; V309-I313 HydrophobicContact CG2-CG2 4.5Å
310	K	88.9	Confident	94.1	Very high	155 Å²	155	57.3 Å²	57.3	67%	0.674	33%	0.328	S	S	*	.			trans	-162.1	154.3	174.6	-171.6	178.1	176.5	-176.3	0	107.8	G312 I313	K310-G312 PolarHBondContact O-N 2.73Å; K310-I313 HydrophobicContact CB-CD1 3.99Å; K310-I313 HydrophobicContact CB-CG1 4.33Å; K310-I313 PolarHBondContact O-N 2.91Å
311	Q	86.6	Confident	94	Very high	194 Å²	194	56 Å²	56	91%	0.907	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	129.4	170.4	-168	178.6	14.9	0	0	111.1	I313	Q311-I313 VanDerWaalsContact C-N 3.35Å
312	G	87.3	Confident	94	Very high	85 Å²	85	59.9 Å²	59.9	88%	0.876	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-1.5	-177.7	0	0	0	0	0	115.5	K310	K310-G312 PolarHBondContact O-N 2.73Å
313	I	90.7	Very high	94	Very high	87 Å²	87	58.9 Å²	58.9	45%	0.446	33%	0.332	S	S	.	.	S	Bend	trans	-109.8	131.1	173.6	-57.1	-176.9	0	0	0	108.6	V309 K310 Q311 E315	V309-I313 HydrophobicContact CB-CB 4.29Å; V309-I313 HydrophobicContact CB-CG2 4.03Å; V309-I313 HydrophobicContact CG1-CB 4.38Å; V309-I313 HydrophobicContact CG1-CD1 4.23Å; V309-I313 HydrophobicContact CG1-CG2 3.98Å; V309-I313 HydrophobicContact CG2-CG2 4.5Å; K310-I313 HydrophobicContact CB-CD1 3.99Å; K310-I313 HydrophobicContact CB-CG1 4.33Å; K310-I313 PolarHBondContact O-N 2.91Å; Q311-I313 VanDerWaalsContact C-N 3.35Å; I313-E315 PolarHBondContact O-N 2.77Å
314	P	89.4	Confident	94	Very high	111 Å²	111	59.4 Å²	59.4	72%	0.721	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-53.6	139.5	175.3	-26	34.5	0	0	0	112.2
315	E	93.9	Very high	94	Very high	70 Å²	70	59.2 Å²	59.2	33%	0.327	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-66.1	153.5	175.8	-63.3	153.1	142.5	0	0	110.4	K220 L306 Q307 I313	K220-E315 VanDerWaalsContact CE-CD 3.4Å; K220-E315 WeakPolarHBondContact CE-OE1 3.2Å; K220-E315 WeakPolarHBondContact CE-OE2 3.06Å; K220-E315 IonicContact NZ-OE1 2.79Å; K220-E315 PolarHBondContact NZ-OE1 2.8Å; K220-E315 IonicContact NZ-OE2 2.66Å; K220-E315 PolarHBondContact NZ-OE2 2.94Å; L306-E315 HydrophobicContact CB-CB 4.06Å; L306-E315 HydrophobicContact CD1-CB 4.46Å; Q307-E315 WeakPolarHBondContact O-CA 3.3Å; Q307-E315 WeakPolarHBondContact O-CB 3.42Å; I313-E315 PolarHBondContact O-N 2.77Å
316	T	94	Very high	94.1	Very high	66 Å²	66	59.8 Å²	59.8	41%	0.405	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.6	-178.7	-58.5	0	0	0	0	110.1	Q307 I318	Q307-T316 PolarHBondContact N-O 2.97Å; Q307-T316 PolarHBondContact O-N 2.81Å; T316-I318 HydrophobicContact CG2-CG2 4.39Å; T316-I318 PolarHBondContact O-N 2.81Å
317	P	94.7	Very high	94.2	Very high	75 Å²	75	58.6 Å²	58.6	49%	0.487	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	121.7	169.3	28	-32.6	0	0	0	109.9	L306	L306-P317 HydrophobicContact CD2-CB 3.77Å
318	I	94.1	Very high	94.4	Very high	9 Å²	9	56 Å²	56	5%	0.046	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-13.7	-176.8	58.2	155	0	0	0	113.6	L42 Y219 L305 Q307 T316	L42-I318 HydrophobicContact CB-CD1 4.38Å; Y219-I318 HydrophobicContact CD1-CD1 4.18Å; Y219-I318 HydrophobicContact CE1-CD1 3.72Å; L305-I318 HydrophobicContact CB-CG1 4.13Å; L305-I318 HydrophobicContact CD2-CD1 3.5Å; L305-I318 VanDerWaalsContact CD2-CD1 3.5Å; L305-I318 HydrophobicContact CD2-CG1 3.83Å; L305-I318 HydrophobicContact CG-CD1 3.81Å; L305-I318 HydrophobicContact CG-CG1 3.75Å; L305-I318 WeakPolarHBondContact O-CG1 3.4Å; L305-I318 PolarHBondContact O-N 3.24Å; Q307-I318 HydrophobicContact CB-CG1 4.44Å; Q307-I318 HydrophobicContact CB-CG2 3.57Å; T316-I318 HydrophobicContact CG2-CG2 4.39Å; T316-I318 PolarHBondContact O-N 2.81Å
319	F	95.7	Very high	94.7	Very high	23 Å²	23	54 Å²	54	10%	0.101	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	144.1	172.2	172.5	-101.5	0	0	0	108.1	V44 T47 I139 S304 L305 D321	V44-F319 HydrophobicContact CB-CB 4.44Å; V44-F319 HydrophobicContact CB-CD2 4.1Å; V44-F319 HydrophobicContact CB-CG 4.14Å; V44-F319 HydrophobicContact CG1-CD1 4.15Å; V44-F319 HydrophobicContact CG1-CD2 3.96Å; V44-F319 HydrophobicContact CG1-CE1 4.09Å; V44-F319 HydrophobicContact CG1-CE2 3.91Å; V44-F319 HydrophobicContact CG1-CG 4.07Å; V44-F319 HydrophobicContact CG1-CZ 3.98Å; V44-F319 HydrophobicContact CG2-CB 3.69Å; V44-F319 HydrophobicContact CG2-CD1 4.11Å; V44-F319 HydrophobicContact CG2-CD2 4.23Å; V44-F319 HydrophobicContact CG2-CG 3.76Å; T47-F319 HydrophobicContact CG2-CD2 3.87Å; T47-F319 HydrophobicContact CG2-CE2 3.95Å; I139-F319 HydrophobicContact CB-CE1 4.13Å; I139-F319 HydrophobicContact CD1-CD1 4.4Å; I139-F319 HydrophobicContact CG2-CE1 4.2Å; S304-F319 CarbonylContact C-O 3.55Å; S304-F319 VanDerWaalsContact CA-O 3.26Å; S304-F319 WeakPolarHBondContact CA-O 3.22Å; L305-F319 HydrophobicContact CB-CB 4.17Å; L305-F319 PolarHBondContact N-O 3.1Å; F319-D321 HydrophobicContact CE1-CB 3.84Å; F319-D321 HydrophobicContact CZ-CB 3.99Å
320	T	96.3	Very high	95.1	Very high	63 Å²	63	50.1 Å²	50.1	39%	0.387	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.4	172.6	-58.9	0	0	0	0	108.5	N302 L303 S304	N302-T320 HydrophobicContact CB-CG2 4.08Å; L303-T320 CarbonylContact O-C 3.54Å; L303-T320 VanDerWaalsContact O-CA 3.27Å; L303-T320 WeakPolarHBondContact O-CA 3.24Å; S304-T320 PolarHBondContact OG-OG1 2.87Å
321	D	97.3	Very high	95.6	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.5	166.9	-157.8	13.8	0	0	0	109.9	R21 S140 L141 K158 N302 L303 F319	R21-D321 IonicContact NH2-OD1 3.15Å; S140-D321 WeakPolarHBondContact CA-OD2 3.46Å; L141-D321 HydrophobicContact CB-CB 4.44Å; L141-D321 PolarHBondContact N-OD2 3.11Å; K158-D321 VanDerWaalsContact CE-OD1 3.3Å; K158-D321 WeakPolarHBondContact CE-OD1 3.46Å; K158-D321 WeakPolarHBondContact CE-OD2 3.47Å; K158-D321 IonicContact NZ-OD1 2.81Å; K158-D321 IonicContact NZ-OD2 3.93Å; K158-D321 PolarHBondContact NZ-OD2 3.48Å; N302-D321 WeakPolarHBondContact CA-O 3.2Å; L303-D321 PolarHBondContact N-O 3.24Å; L303-D321 PolarHBondContact O-N 2.95Å; F319-D321 HydrophobicContact CE1-CB 3.84Å; F319-D321 HydrophobicContact CZ-CB 3.99Å
322	K	97.7	Very high	96.2	Very high	82 Å²	82	33.5 Å²	33.5	36%	0.357	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140	-169.4	175.9	-178.8	-70.7	-163.2	0	110.7	E159 T300 N302	E159-K322 HydrophobicContact CB-CB 4.33Å; E159-K322 HydrophobicContact CB-CD 4.34Å; E159-K322 HydrophobicContact CB-CG 4.32Å; T300-K322 HydrophobicContact CG2-CD 3.56Å; T300-K322 HydrophobicContact CG2-CG 3.58Å; N302-K322 VanDerWaalsContact OD1-CE 3.27Å; N302-K322 WeakPolarHBondContact OD1-CE 3.44Å
323	V	98.8	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.4	167.9	-59.9	0	0	0	0	110.8	L141 V143 K158 M205 I301 F325	L141-V323 HydrophobicContact CB-CG1 4.36Å; L141-V323 HydrophobicContact CD2-CG1 4.21Å; L141-V323 HydrophobicContact CD2-CG2 3.85Å; L141-V323 HydrophobicContact CG-CG1 4.06Å; L141-V323 HydrophobicContact CG-CG2 4.35Å; L141-V323 WeakPolarHBondContact O-CG1 3.49Å; V143-V323 HydrophobicContact CG1-CB 3.84Å; V143-V323 HydrophobicContact CG1-CG1 3.93Å; V143-V323 HydrophobicContact CG1-CG2 3.87Å; V143-V323 HydrophobicContact CG2-CB 3.94Å; V143-V323 HydrophobicContact CG2-CG1 3.97Å; K158-V323 HydrophobicContact CB-CG1 4.41Å; K158-V323 HydrophobicContact CD-CG1 4.14Å; K158-V323 HydrophobicContact CG-CG1 4.22Å; K158-V323 CarbonylContact O-C 3.35Å; K158-V323 WeakPolarHBondContact O-CA 3.05Å; M205-V323 HydrophobicContact SD-CG2 3.8Å; I301-V323 HydrophobicContact CB-CG2 3.98Å; I301-V323 PolarHBondContact N-O 3.26Å; I301-V323 PolarHBondContact O-N 3Å; V323-F325 HydrophobicContact CG2-CE2 4.04Å
324	V	98.9	Very high	97.1	Very high	12 Å²	12	25.9 Å²	25.9	7%	0.073	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.1	178	174.7	0	0	0	0	110	K158 E159 W161 A170 L298 I299 T300	K158-V324 PolarHBondContact O-N 3.42Å; E159-V324 WeakPolarHBondContact O-CG2 3.43Å; W161-V324 HydrophobicContact CB-CG1 4.12Å; A170-V324 PolarHBondContact N-O 3.08Å; L298-V324 HydrophobicContact CD2-CG1 4.18Å; I299-V324 WeakPolarHBondContact O-CA 3.49Å; T300-V324 HydrophobicContact CG2-CG2 4.48Å
325	F	98.9	Very high	97.6	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.2	171.2	-72.2	-91	0	0	0	110.5	V143 A170 L172 M205 V285 L298 I299 I301 V323	V143-F325 HydrophobicContact CB-CE1 4.5Å; V143-F325 HydrophobicContact CB-CZ 4.08Å; V143-F325 HydrophobicContact CG1-CE1 4.21Å; V143-F325 HydrophobicContact CG1-CE2 3.69Å; V143-F325 HydrophobicContact CG1-CZ 3.34Å; A170-F325 HydrophobicContact CB-CD1 3.5Å; A170-F325 VanDerWaalsContact CB-CD1 3.5Å; A170-F325 HydrophobicContact CB-CE1 3.54Å; A170-F325 HydrophobicContact CB-CG 4.2Å; A170-F325 HydrophobicContact CB-CZ 4.28Å; A170-F325 CarbonylContact O-C 3.54Å; A170-F325 WeakPolarHBondContact O-CA 3.26Å; L172-F325 HydrophobicContact CB-CB 4.05Å; L172-F325 HydrophobicContact CB-CD1 3.97Å; L172-F325 HydrophobicContact CB-CG 4.32Å; L172-F325 HydrophobicContact CD2-CB 4.45Å; M205-F325 HydrophobicContact CB-CZ 4.48Å; M205-F325 HydrophobicContact SD-CE2 4.49Å; V285-F325 HydrophobicContact CB-CZ 4.45Å; V285-F325 HydrophobicContact CG1-CE2 4.48Å; V285-F325 HydrophobicContact CG2-CE2 4.38Å; V285-F325 HydrophobicContact CG2-CZ 4.18Å; L298-F325 WeakPolarHBondContact CA-O 3.46Å; I299-F325 PolarHBondContact N-O 2.91Å; I299-F325 PolarHBondContact O-N 3.43Å; I301-F325 HydrophobicContact CD1-CD2 4.29Å; I301-F325 HydrophobicContact CD1-CE2 4.09Å; V323-F325 HydrophobicContact CG2-CE2 4.04Å
326	R	98.8	Very high	97.8	Very high	13 Å²	13	19.6 Å²	19.6	5%	0.049	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.6	159.7	175.1	169.5	-79.1	-66.4	-8.9	110	W161 A170 I171 L172 D296 G297 L298 W698	W161-R326 HydrophobicContact CD2-CB 4.03Å; W161-R326 HydrophobicContact CG-CB 4Å; W161-R326 HydrophobicContact CZ2-CB 4.34Å; W161-R326 VanDerWaalsContact CZ2-CD 3.47Å; W161-R326 HydrophobicContact CZ2-CG 4.44Å; W161-R326 VanDerWaalsContact NE1-CB 3.27Å; A170-R326 PolarHBondContact O-N 2.95Å; I171-R326 CarbonylContact C-O 3.58Å; I171-R326 WeakPolarHBondContact CA-O 3.44Å; L172-R326 PolarHBondContact N-O 3.44Å; D296-R326 PolarHBondContact O-NH1 2.8Å; D296-R326 PolarHBondContact O-NH2 3.28Å; G297-R326 CarbonylContact O-C 3.5Å; G297-R326 VanDerWaalsContact O-CA 3.28Å; G297-R326 WeakPolarHBondContact O-CA 3.49Å; L298-R326 HydrophobicContact CD2-CB 4.04Å; R326-W698 HydrophobicContact CG-CH2 3.86Å; R326-W698 HydrophobicContact CG-CZ3 4.35Å
327	V	98.9	Very high	98	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	131.5	170	-176.6	0	0	0	0	109.9	L172 V174 P291 F295 G297 I299	L172-V327 HydrophobicContact CD2-CG2 4.36Å; L172-V327 CarbonylContact O-C 3.44Å; L172-V327 VanDerWaalsContact O-CA 3.27Å; L172-V327 WeakPolarHBondContact O-CA 3.48Å; V174-V327 HydrophobicContact CG2-CG1 3.39Å; P291-V327 HydrophobicContact CG-CB 4.49Å; F295-V327 HydrophobicContact CE1-CB 4.35Å; F295-V327 HydrophobicContact CE1-CG2 3.85Å; F295-V327 HydrophobicContact CZ-CG2 3.79Å; G297-V327 PolarHBondContact O-N 3.42Å; I299-V327 HydrophobicContact CD1-CG2 3.56Å
328	S	98.8	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-58.8	132.9	175.3	-177.4	0	0	0	0	110.2	L172 D392 W698	L172-S328 PolarHBondContact O-N 3.43Å; S328-D392 PolarHBondContact OG-N 3.43Å; S328-D392 PolarHBondContact OG-O 2.79Å; S328-W698 PolarHBondContact OG-NE1 2.91Å
329	P	98.9	Very high	98.4	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.019	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-70.5	159.2	170.6	32.4	-33.8	0	0	0	110.4	I331 Q488 V490 W698	P329-I331 HydrophobicContact CG-CD1 4.29Å; P329-I331 HydrophobicContact CG-CG1 4.19Å; P329-Q488 VanDerWaalsContact CA-OE1 3.28Å; P329-Q488 HydrophobicContact CB-CB 3.98Å; P329-Q488 WeakPolarHBondContact CB-O 3.17Å; P329-V490 HydrophobicContact CB-CG1 4.48Å; P329-V490 HydrophobicContact CB-CG2 3.99Å; P329-V490 HydrophobicContact CG-CB 4.41Å; P329-V490 HydrophobicContact CG-CG1 3.8Å; P329-V490 HydrophobicContact CG-CG2 3.7Å; P329-W698 VanDerWaalsContact CD-CE2 3.45Å; P329-W698 HydrophobicContact CG-CD2 3.85Å; P329-W698 HydrophobicContact CG-CE3 3.91Å; P329-W698 HydrophobicContact CG-CG 4.2Å; P329-W698 HydrophobicContact CG-CZ3 4.43Å
330	W	98.9	Very high	98.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-79.3	135.4	163.2	-179.6	85.8	0	0	0	110	F290 M332 E387 V400 L402 F484 L485 Q488	F290-W330 HydrophobicContact CD1-CB 4.01Å; F290-W330 HydrophobicContact CE1-CB 3.81Å; W330-M332 HydrophobicContact CE3-CG 4.07Å; W330-M332 HydrophobicContact CH2-CB 4.47Å; W330-M332 HydrophobicContact CH2-CG 3.11Å; W330-M332 HydrophobicContact CH2-SD 3.72Å; W330-M332 HydrophobicContact CZ2-CG 3.97Å; W330-M332 HydrophobicContact CZ3-CG 3.16Å; W330-M332 HydrophobicContact CZ3-SD 3.7Å; W330-E387 HydrophobicContact CH2-CB 4.21Å; W330-E387 HydrophobicContact CH2-CG 3.71Å; W330-E387 HydrophobicContact CZ2-CB 4.3Å; W330-E387 HydrophobicContact CZ2-CG 4.02Å; W330-V400 PolarHBondContact NE1-O 3.21Å; W330-L402 HydrophobicContact CH2-CB 3.93Å; W330-L402 HydrophobicContact CH2-CD2 3.72Å; W330-L402 HydrophobicContact CH2-CG 4.5Å; W330-L402 HydrophobicContact CZ2-CB 3.45Å; W330-L402 VanDerWaalsContact CZ2-CB 3.45Å; W330-L402 HydrophobicContact CZ2-CD2 4.14Å; W330-L402 HydrophobicContact CZ2-CG 4.45Å; W330-L402 HydrophobicContact CZ3-CD2 3.98Å; W330-F484 HydrophobicContact CB-CE1 4.49Å; W330-F484 HydrophobicContact CB-CZ 3.89Å; W330-F484 HydrophobicContact CD2-CE1 4.38Å; W330-F484 HydrophobicContact CE3-CE1 4.15Å; W330-F484 HydrophobicContact CG-CZ 4.27Å; W330-L485 HydrophobicContact CE3-CD2 4.28Å; W330-L485 HydrophobicContact CZ3-CD2 3.71Å; W330-Q488 HydrophobicContact CB-CG 4.5Å
331	I	98.9	Very high	98.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.7	-171.5	-50.6	176.3	0	0	0	110.2	P329 G389 Y390 L459 V490 Q491 F694 W698	P329-I331 HydrophobicContact CG-CD1 4.29Å; P329-I331 HydrophobicContact CG-CG1 4.19Å; I331-G389 CarbonylContact O-C 3.59Å; I331-G389 WeakPolarHBondContact O-CA 3.41Å; I331-Y390 HydrophobicContact CB-CD1 4.04Å; I331-Y390 HydrophobicContact CB-CE1 3.65Å; I331-Y390 HydrophobicContact CB-CE2 4.36Å; I331-Y390 HydrophobicContact CD1-CE2 3.97Å; I331-Y390 HydrophobicContact CG2-CD1 4.35Å; I331-Y390 HydrophobicContact CG2-CE1 3.52Å; I331-Y390 PolarHBondContact N-O 2.99Å; I331-Y390 VanDerWaalsContact O-CD1 3.29Å; I331-Y390 WeakPolarHBondContact O-CD1 3.28Å; I331-Y390 PolarHBondContact O-N 2.86Å; I331-L459 HydrophobicContact CD1-CD1 4.2Å; I331-L459 HydrophobicContact CG2-CD1 4.22Å; I331-V490 HydrophobicContact CD1-CG2 4.33Å; I331-V490 HydrophobicContact CG1-CG2 3.94Å; I331-Q491 HydrophobicContact CG2-CG 4.38Å; I331-F694 HydrophobicContact CG2-CD2 4.45Å; I331-W698 HydrophobicContact CD1-CB 3.64Å; I331-W698 HydrophobicContact CD1-CG 3.85Å
332	M	98.9	Very high	98.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	161.2	176.4	-69.4	-177.8	59.6	0	0	113	W330 E387 L444 V446 I462 Q491 F694	W330-M332 HydrophobicContact CE3-CG 4.07Å; W330-M332 HydrophobicContact CH2-CB 4.47Å; W330-M332 HydrophobicContact CH2-CG 3.11Å; W330-M332 HydrophobicContact CH2-SD 3.72Å; W330-M332 HydrophobicContact CZ2-CG 3.97Å; W330-M332 HydrophobicContact CZ3-CG 3.16Å; W330-M332 HydrophobicContact CZ3-SD 3.7Å; M332-E387 HydrophobicContact CE-CG 3.62Å; M332-E387 WeakPolarHBondContact CE-OE1 3.31Å; M332-E387 HydrophobicContact CG-CG 4.28Å; M332-E387 HydrophobicContact SD-CG 4.22Å; M332-L444 HydrophobicContact CE-CD1 4.25Å; M332-L444 HydrophobicContact CE-CG 3.86Å; M332-L444 HydrophobicContact SD-CD1 3.78Å; M332-L444 HydrophobicContact SD-CD2 4.21Å; M332-L444 HydrophobicContact SD-CG 3.84Å; M332-V446 HydrophobicContact CB-CB 3.96Å; M332-V446 HydrophobicContact CB-CG1 3.68Å; M332-V446 HydrophobicContact CB-CG2 4.37Å; M332-V446 HydrophobicContact CE-CB 4.09Å; M332-V446 HydrophobicContact CE-CG1 4.15Å; M332-I462 HydrophobicContact CG-CD1 4.43Å; M332-I462 HydrophobicContact CG-CG1 4.46Å; M332-I462 HydrophobicContact SD-CD1 3.95Å; M332-I462 HydrophobicContact SD-CG1 3.73Å; M332-I462 HydrophobicContact SD-CG2 4.44Å; M332-Q491 PolarHBondContact O-NE2 2.62Å; M332-F694 WeakPolarHBondContact O-CE2 2.96Å
333	T	98.9	Very high	98.8	Very high	12 Å²	12	14.3 Å²	14.3	7%	0.074	8%	0.075	C	C	.	.			trans	-118.4	120.7	178.8	57.4	0	0	0	0	113	L337 Y390 V446 R691	T333-L337 HydrophobicContact CG2-CD1 3.94Å; T333-Y390 HydrophobicContact CG2-CD1 3.98Å; T333-Y390 HydrophobicContact CG2-CE1 4.11Å; T333-V446 VanDerWaalsContact C-CG1 3.41Å; T333-R691 HydrophobicContact CG2-CB 4.4Å
334	P	98.9	Very high	98.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.			trans	-73.3	161.3	-179.4	28.8	-35.3	0	0	0	112.3	T336 L337 V446 R691 F694	P334-T336 PolarHBondContact O-N 3.41Å; P334-L337 HydrophobicContact CG-CD1 4.41Å; P334-L337 HydrophobicContact CG-CG 4.03Å; P334-L337 PolarHBondContact O-N 3.04Å; P334-V446 HydrophobicContact CB-CG1 3.92Å; P334-V446 WeakPolarHBondContact CB-O 3.46Å; P334-V446 VanDerWaalsContact N-CG1 3.32Å; P334-R691 WeakPolarHBondContact O-CD 3.38Å; P334-R691 PolarHBondContact O-NE 3.32Å; P334-F694 HydrophobicContact CG-CE1 4.09Å; P334-F694 HydrophobicContact CG-CZ 3.6Å
335	N	98.8	Very high	98.7	Very high	11 Å²	11	13.8 Å²	13.8	6%	0.059	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-17	177.5	-78.6	-24.3	0	0	0	115.4	T511 F512 V631 R691	N335-T511 PolarHBondContact ND2-OG1 2.91Å; N335-F512 VanDerWaalsContact CB-O 3.28Å; N335-F512 WeakPolarHBondContact CB-O 3.46Å; N335-V631 HydrophobicContact CB-CB 4.02Å; N335-V631 HydrophobicContact CB-CG1 4.35Å; N335-V631 HydrophobicContact CB-CG2 4.23Å; N335-R691 PolarHBondContact O-NH1 3.01Å; N335-R691 VanDerWaalsContact O-NH1 3.13Å; N335-R691 PolarHBondContact OD1-NH2 3.25Å
336	T	98.6	Very high	98.7	Very high	37 Å²	37	15.1 Å²	15.1	23%	0.227	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-14.9	176.5	51.6	0	0	0	0	114.3	P334 P448 P514 F521	P334-T336 PolarHBondContact O-N 3.41Å; T336-P448 HydrophobicContact CG2-CB 4.05Å; T336-P448 HydrophobicContact CG2-CG 3.51Å; T336-P514 HydrophobicContact CG2-CB 4.43Å; T336-F521 HydrophobicContact CG2-CB 3.83Å
337	L	98.7	Very high	98.6	Very high	31 Å²	31	15 Å²	15	16%	0.162	8%	0.082	C	C	.	.	S	Bend	trans	-78	153.8	174.4	-67.3	-173	0	0	0	112	T333 P334 P339 R691 K692 F694	T333-L337 HydrophobicContact CG2-CD1 3.94Å; P334-L337 HydrophobicContact CG-CD1 4.41Å; P334-L337 HydrophobicContact CG-CG 4.03Å; P334-L337 PolarHBondContact O-N 3.04Å; L337-P339 WeakPolarHBondContact O-CD 3.38Å; L337-R691 HydrophobicContact CB-CB 4.05Å; L337-R691 PolarHBondContact O-NH1 2.86Å; L337-K692 WeakPolarHBondContact CD1-O 3.44Å; L337-F694 HydrophobicContact CD1-CD1 3.88Å; L337-F694 HydrophobicContact CD1-CD2 3.92Å; L337-F694 HydrophobicContact CD1-CE1 3.86Å; L337-F694 HydrophobicContact CD1-CE2 3.93Å; L337-F694 HydrophobicContact CD1-CG 3.92Å; L337-F694 HydrophobicContact CD1-CZ 3.92Å; L337-F694 HydrophobicContact CD2-CD1 3.9Å; L337-F694 HydrophobicContact CD2-CE1 3.95Å; L337-F694 HydrophobicContact CG-CD1 4.37Å; L337-F694 HydrophobicContact CG-CE1 4.14Å; L337-F694 HydrophobicContact CG-CZ 4.46Å
338	Q	98.4	Very high	98.4	Very high	100 Å²	100	20.4 Å²	20.4	47%	0.467	12%	0.12	S	C	.	.	P	Polyproline II helix	trans	-62	122.3	-175.8	-175.1	175.3	24.2	0	0	111	R691 K692	Q338-R691 CarbonylContact O-C 3.54Å; Q338-R691 VanDerWaalsContact O-CA 3.3Å; Q338-R691 WeakPolarHBondContact O-CA 3.25Å; Q338-R691 WeakPolarHBondContact O-CB 3.24Å; Q338-K692 HydrophobicContact CB-CB 4.48Å; Q338-K692 HydrophobicContact CB-CD 4.28Å; Q338-K692 HydrophobicContact CB-CG 4.34Å; Q338-K692 PolarHBondContact O-N 2.95Å; Q338-K692 VanDerWaalsContact OE1-CD 3.27Å
339	P	98.6	Very high	98.2	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.019	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	148	172.7	-17.1	26.4	0	0	0	112.2	L337 Y366 L632 V689	L337-P339 WeakPolarHBondContact O-CD 3.38Å; P339-Y366 HydrophobicContact CB-CD1 4.08Å; P339-Y366 HydrophobicContact CB-CD2 4.12Å; P339-Y366 HydrophobicContact CB-CE1 3.87Å; P339-Y366 HydrophobicContact CB-CE2 3.92Å; P339-Y366 HydrophobicContact CB-CG 4.22Å; P339-Y366 HydrophobicContact CG-CD2 4.47Å; P339-Y366 HydrophobicContact CG-CE1 4.31Å; P339-Y366 HydrophobicContact CG-CE2 3.85Å; P339-Y366 WeakPolarHBondContact O-CD1 3.46Å; P339-Y366 WeakPolarHBondContact O-CE1 3.37Å; P339-L632 HydrophobicContact CB-CD2 3.98Å; P339-L632 HydrophobicContact CG-CB 4.21Å; P339-L632 HydrophobicContact CG-CD2 3.97Å; P339-V689 HydrophobicContact CB-CG1 3.9Å
340	V	98.2	Very high	98	Very high	39 Å²	39	24.1 Å²	24.1	24%	0.236	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-46.4	174.1	-179.8	0	0	0	0	110.3	R690 K692	V340-R690 WeakPolarHBondContact CA-O 3.32Å; V340-R690 WeakPolarHBondContact CB-O 3.31Å; V340-R690 PolarHBondContact N-O 3.31Å; V340-K692 HydrophobicContact CG2-CG 3.63Å
341	E	98.6	Very high	97.9	Very high	35 Å²	35	31.5 Å²	31.5	16%	0.164	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	136.3	-172.4	-173	161.6	-145.8	0	0	110.7	F343 K367 R690	E341-F343 HydrophobicContact CB-CE2 3.91Å; E341-F343 HydrophobicContact CB-CZ 4.33Å; E341-F343 HydrophobicContact CG-CD2 4.37Å; E341-F343 HydrophobicContact CG-CE2 3.64Å; E341-F343 HydrophobicContact CG-CZ 3.73Å; E341-K367 HydrophobicContact CB-CB 4.17Å; E341-K367 HydrophobicContact CG-CB 3.85Å; E341-R690 PolarHBondContact N-O 3.07Å; E341-R690 PolarHBondContact O-N 2.97Å; E341-R690 IonicContact OE2-CZ 2.65Å; E341-R690 IonicContact OE2-NE 2.72Å; E341-R690 IonicContact OE2-NH2 3.59Å; E341-R690 PolarHBondContact OE2-NH2 2.7Å
342	V	98.8	Very high	97.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.1	179.7	-179.3	0	0	0	0	109	V344 M357 V361 K367 L368 K369 I630 L632 V689	V342-V344 HydrophobicContact CG1-CG1 4.37Å; V342-M357 HydrophobicContact CG1-CE 3.88Å; V342-V361 HydrophobicContact CB-CG1 4.44Å; V342-V361 HydrophobicContact CB-CG2 3.99Å; V342-V361 HydrophobicContact CG1-CG2 4.01Å; V342-V361 HydrophobicContact CG2-CG1 4.31Å; V342-V361 HydrophobicContact CG2-CG2 3.88Å; V342-K367 PolarHBondContact N-O 3.01Å; V342-L368 HydrophobicContact CB-CD1 4.06Å; V342-L368 HydrophobicContact CG1-CD1 4Å; V342-L368 CarbonylContact O-C 3.54Å; V342-L368 WeakPolarHBondContact O-CA 3.49Å; V342-K369 PolarHBondContact O-N 2.76Å; V342-I630 HydrophobicContact CG1-CD1 3.63Å; V342-I630 HydrophobicContact CG2-CD1 4.25Å; V342-L632 HydrophobicContact CG2-CD1 4.13Å; V342-L632 HydrophobicContact CG2-CD2 3.65Å; V342-V689 HydrophobicContact CG2-CG2 4.37Å
343	F	98.8	Very high	97.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.1	-179.6	-62.1	-102.3	0	0	0	109	E341 K369 M382 F388 F413 L418 S687 N688 R690	E341-F343 HydrophobicContact CB-CE2 3.91Å; E341-F343 HydrophobicContact CB-CZ 4.33Å; E341-F343 HydrophobicContact CG-CD2 4.37Å; E341-F343 HydrophobicContact CG-CE2 3.64Å; E341-F343 HydrophobicContact CG-CZ 3.73Å; F343-K369 WeakPolarHBondContact CA-O 3.49Å; F343-K369 HydrophobicContact CD1-CB 3.72Å; F343-K369 HydrophobicContact CD1-CD 3.87Å; F343-K369 HydrophobicContact CD1-CG 4.18Å; F343-K369 HydrophobicContact CE1-CB 3.86Å; F343-K369 HydrophobicContact CE1-CD 3.54Å; F343-K369 HydrophobicContact CE1-CG 4.22Å; F343-K369 HydrophobicContact CG-CB 4.42Å; F343-M382 HydrophobicContact CB-CG 3.78Å; F343-M382 HydrophobicContact CB-SD 4.11Å; F343-F388 HydrophobicContact CD1-CZ 4.18Å; F343-F388 AromaticContact CD2-CE2 3.5Å; F343-F388 HydrophobicContact CD2-CE2 3.5Å; F343-F388 VanDerWaalsContact CD2-CE2 3.5Å; F343-F388 AromaticContact CD2-CZ 3.54Å; F343-F388 HydrophobicContact CD2-CZ 3.54Å; F343-F388 HydrophobicContact CE1-CZ 4.02Å; F343-F388 HydrophobicContact CE2-CE1 4.19Å; F343-F388 AromaticContact CE2-CE2 3.66Å; F343-F388 HydrophobicContact CE2-CE2 3.66Å; F343-F388 AromaticContact CE2-CZ 3.38Å; F343-F388 HydrophobicContact CE2-CZ 3.38Å; F343-F388 HydrophobicContact CG-CE2 4.13Å; F343-F388 AromaticContact CG-CZ 3.97Å; F343-F388 HydrophobicContact CG-CZ 3.97Å; F343-F388 HydrophobicContact CZ-CE1 4.2Å; F343-F388 HydrophobicContact CZ-CE2 4.37Å; F343-F388 AromaticContact CZ-CZ 3.64Å; F343-F388 HydrophobicContact CZ-CZ 3.64Å; F343-F413 HydrophobicContact CD1-CE1 4.47Å; F343-F413 HydrophobicContact CD1-CZ 4.09Å; F343-L418 HydrophobicContact CD1-CD2 4.45Å; F343-L418 HydrophobicContact CE1-CD2 3.66Å; F343-L418 HydrophobicContact CZ-CD2 4.25Å; F343-S687 CarbonylContact O-C 3.52Å; F343-S687 WeakPolarHBondContact O-CA 3.39Å; F343-N688 HydrophobicContact CB-CB 4.45Å; F343-N688 PolarHBondContact N-O 3.13Å; F343-N688 PolarHBondContact O-N 3.41Å; F343-R690 HydrophobicContact CE2-CB 3.92Å
344	V	98.6	Very high	97.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.3	175.8	-64.7	0	0	0	0	110.1	V342 F353 L354 M357 L368 K369 V370 C371	V342-V344 HydrophobicContact CG1-CG1 4.37Å; V344-F353 HydrophobicContact CB-CE1 4.28Å; V344-F353 HydrophobicContact CG1-CE1 4.17Å; V344-F353 HydrophobicContact CG1-CZ 4.26Å; V344-L354 HydrophobicContact CB-CD2 4.33Å; V344-L354 HydrophobicContact CG2-CD2 3.68Å; V344-M357 HydrophobicContact CG1-CE 3.59Å; V344-M357 HydrophobicContact CG1-CG 4.31Å; V344-L368 HydrophobicContact CG1-CD1 4.39Å; V344-L368 HydrophobicContact CG2-CD1 3.86Å; V344-K369 PolarHBondContact N-O 3.49Å; V344-V370 HydrophobicContact CG2-CB 4.42Å; V344-V370 HydrophobicContact CG2-CG1 4.37Å; V344-V370 HydrophobicContact CG2-CG2 3.9Å; V344-V370 CarbonylContact O-C 3.47Å; V344-V370 WeakPolarHBondContact O-CA 3.4Å; V344-C371 PolarHBondContact O-N 3.31Å
345	C	98.3	Very high	97.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	145.2	170.7	-76.9	0	0	0	0	112.1	N350 C371 D379 M382	C345-N350 PolarHBondContact O-ND2 3.03Å; C345-C371 CarbonylContact C-O 3.6Å; C345-C371 WeakPolarHBondContact CA-O 3.49Å; C345-D379 PolarHBondContact SG-O 3.31Å; C345-M382 VanDerWaalsContact SG-CE 3.56Å
346	S	97.9	Very high	97.5	Very high	30 Å²	30	42 Å²	42	21%	0.21	22%	0.22	C	C	.	.			trans	-98.6	125.6	163.2	-172.8	0	0	0	0	109.7	C371 E373 N376	S346-C371 PolarHBondContact N-O 2.96Å; S346-E373 WeakPolarHBondContact O-CG 3.43Å; S346-N376 PolarHBondContact O-ND2 3.15Å
347	T	96.4	Very high	97.5	Very high	10 Å²	10	40.2 Å²	40.2	6%	0.061	21%	0.209	C	C	.	.			trans	-126.4	164.9	172.8	61.3	0	0	0	0	109.9	D349 N350 E373 R380	T347-D349 WeakPolarHBondContact CB-OD1 3.21Å; T347-D349 PolarHBondContact O-N 2.91Å; T347-D349 PolarHBondContact OG1-OD1 2.81Å; T347-N350 PolarHBondContact N-OD1 3.28Å; T347-N350 PolarHBondContact O-N 3.25Å; T347-N350 PolarHBondContact O-OD1 2.89Å; T347-N350 VanDerWaalsContact O-OD1 3.05Å; T347-N350 VanDerWaalsContact OG1-CB 3.31Å; T347-N350 WeakPolarHBondContact OG1-CB 3.43Å; T347-E373 VanDerWaalsContact C-OE1 3.26Å; T347-E373 WeakPolarHBondContact CA-OE1 3.48Å; T347-R380 HydrophobicContact CG2-CB 4Å
348	S	94.6	Very high	97.5	Very high	114 Å²	114	43.8 Å²	43.8	80%	0.797	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20	-174.5	63.4	0	0	0	0	114.6	E373	S348-E373 WeakPolarHBondContact CA-OE1 3.31Å; S348-E373 WeakPolarHBondContact CB-OE1 3.39Å; S348-E373 PolarHBondContact N-OE1 2.83Å
349	D	94.5	Very high	97.5	Very high	80 Å²	80	41.9 Å²	41.9	43%	0.428	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-8.5	-171.2	60.9	-15.8	0	0	0	114.7	T347 Y351 R380	T347-D349 WeakPolarHBondContact CB-OD1 3.21Å; T347-D349 PolarHBondContact O-N 2.91Å; T347-D349 PolarHBondContact OG1-OD1 2.81Å; D349-Y351 PolarHBondContact O-N 3.27Å; D349-R380 IonicContact OD1-NH2 2.94Å; D349-R380 IonicContact OD2-NH2 3.55Å; D349-R380 PolarHBondContact OD2-NH2 2.84Å
350	N	96.4	Very high	97.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.223	C	C	.	.			trans	-98	25.8	-168.3	80.6	-15	0	0	0	116.2	C345 T347 Q352 F353 L354 Y676	C345-N350 PolarHBondContact O-ND2 3.03Å; T347-N350 PolarHBondContact N-OD1 3.28Å; T347-N350 PolarHBondContact O-N 3.25Å; T347-N350 PolarHBondContact O-OD1 2.89Å; T347-N350 VanDerWaalsContact O-OD1 3.05Å; T347-N350 VanDerWaalsContact OG1-CB 3.31Å; T347-N350 WeakPolarHBondContact OG1-CB 3.43Å; N350-Q352 VanDerWaalsContact C-N 3.34Å; N350-Q352 PolarHBondContact O-N 3.13Å; N350-F353 HydrophobicContact CB-CB 4.46Å; N350-F353 PolarHBondContact O-N 2.94Å; N350-L354 PolarHBondContact O-N 3.13Å; N350-L354 VanDerWaalsContact OD1-CD1 3.31Å; N350-L354 WeakPolarHBondContact OD1-CD1 3.29Å; N350-Y676 HydrophobicContact CB-CE2 3.93Å; N350-Y676 PolarHBondContact ND2-OH 2.84Å
351	Y	95.8	Very high	97.5	Very high	155 Å²	155	40 Å²	40	61%	0.608	21%	0.213	S	C	*	.	H	α-helix	trans	-55.8	-42.3	-174.9	172.8	-95.4	0	0	0	114	D349 L354 K355	D349-Y351 PolarHBondContact O-N 3.27Å; Y351-L354 PolarHBondContact O-N 2.84Å; Y351-K355 HydrophobicContact CE1-CD 4.12Å; Y351-K355 VanDerWaalsContact O-CB 3.31Å; Y351-K355 WeakPolarHBondContact O-CB 3.01Å; Y351-K355 PolarHBondContact O-N 2.87Å
352	Q	94.8	Very high	97.4	Very high	99 Å²	99	42.9 Å²	42.9	46%	0.463	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-44.7	-178.3	-63.5	-58	-20.6	0	0	111.7	N350 K355 G356 D671	N350-Q352 VanDerWaalsContact C-N 3.34Å; N350-Q352 PolarHBondContact O-N 3.13Å; Q352-K355 WeakPolarHBondContact O-CB 3.45Å; Q352-K355 PolarHBondContact O-N 3.22Å; Q352-G356 PolarHBondContact O-N 3.34Å; Q352-D671 HydrophobicContact CB-CB 4.39Å
353	F	97.4	Very high	97.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.2	-53.9	173.2	168.9	-99.4	0	0	0	111.3	V344 N350 K355 G356 M357 I670 D671 D672 Y676 V683	V344-F353 HydrophobicContact CB-CE1 4.28Å; V344-F353 HydrophobicContact CG1-CE1 4.17Å; V344-F353 HydrophobicContact CG1-CZ 4.26Å; N350-F353 HydrophobicContact CB-CB 4.46Å; N350-F353 PolarHBondContact O-N 2.94Å; F353-K355 VanDerWaalsContact C-N 3.25Å; F353-K355 PolarHBondContact O-N 3.19Å; F353-G356 PolarHBondContact O-N 2.87Å; F353-M357 HydrophobicContact CD1-CG 4.24Å; F353-M357 HydrophobicContact CD2-CG 4.06Å; F353-M357 HydrophobicContact CE1-CG 3.83Å; F353-M357 HydrophobicContact CE2-CG 3.61Å; F353-M357 HydrophobicContact CE2-SD 4.14Å; F353-M357 HydrophobicContact CG-CG 4.37Å; F353-M357 HydrophobicContact CZ-CG 3.5Å; F353-M357 HydrophobicContact CZ-SD 4.21Å; F353-M357 WeakPolarHBondContact O-CG 3.42Å; F353-M357 PolarHBondContact O-N 3.48Å; F353-I670 HydrophobicContact CD2-CG2 3.85Å; F353-I670 HydrophobicContact CE2-CG2 4.48Å; F353-D671 WeakPolarHBondContact CA-O 3.36Å; F353-D671 PolarHBondContact N-O 3.5Å; F353-D672 HydrophobicContact CD2-CB 4.03Å; F353-Y676 HydrophobicContact CB-CD2 4.13Å; F353-Y676 HydrophobicContact CB-CE2 3.62Å; F353-Y676 HydrophobicContact CD1-CD2 4.43Å; F353-Y676 AromaticContact CD1-CE2 3.37Å; F353-Y676 HydrophobicContact CD1-CE2 3.37Å; F353-Y676 AromaticContact CD1-CZ 3.59Å; F353-Y676 VanDerWaalsContact CD1-OH 3.26Å; F353-Y676 WeakPolarHBondContact CD1-OH 3.38Å; F353-Y676 HydrophobicContact CD2-CD2 4.04Å; F353-Y676 AromaticContact CD2-CE2 3.73Å; F353-Y676 HydrophobicContact CD2-CE2 3.73Å; F353-Y676 AromaticContact CE1-CE2 3.88Å; F353-Y676 HydrophobicContact CE1-CE2 3.88Å; F353-Y676 AromaticContact CE1-CZ 3.63Å; F353-Y676 WeakPolarHBondContact CE1-OH 3.1Å; F353-Y676 HydrophobicContact CE2-CE2 4.19Å; F353-Y676 AromaticContact CG-CD2 3.95Å; F353-Y676 HydrophobicContact CG-CD2 3.95Å; F353-Y676 AromaticContact CG-CE2 3.27Å; F353-Y676 HydrophobicContact CG-CE2 3.27Å; F353-Y676 AromaticContact CG-CZ 3.95Å; F353-Y676 HydrophobicContact CZ-CE2 4.25Å; F353-V683 HydrophobicContact CE2-CB 4.36Å; F353-V683 HydrophobicContact CE2-CG1 4.23Å; F353-V683 HydrophobicContact CE2-CG2 4.2Å
354	L	97.9	Very high	97.2	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-36.4	179.9	-80.6	-177.2	0	0	0	112.8	V344 N350 Y351 K358 V370	V344-L354 HydrophobicContact CB-CD2 4.33Å; V344-L354 HydrophobicContact CG2-CD2 3.68Å; N350-L354 PolarHBondContact O-N 3.13Å; N350-L354 VanDerWaalsContact OD1-CD1 3.31Å; N350-L354 WeakPolarHBondContact OD1-CD1 3.29Å; Y351-L354 PolarHBondContact O-N 2.84Å; L354-K358 VanDerWaalsContact O-CB 3.26Å; L354-K358 WeakPolarHBondContact O-CB 3.25Å; L354-K358 WeakPolarHBondContact O-CD 3.4Å; L354-K358 WeakPolarHBondContact O-CG 3.4Å; L354-K358 PolarHBondContact O-N 3.41Å; L354-V370 HydrophobicContact CD2-CG1 4.46Å
355	K	97.9	Very high	97.1	Very high	116 Å²	116	53 Å²	53	50%	0.504	30%	0.299	S	S	.	.	H	α-helix	trans	-64.9	-45	175.5	180	-175.8	172.8	-170.9	0	111	Y351 Q352 F353 A359	Y351-K355 HydrophobicContact CE1-CD 4.12Å; Y351-K355 VanDerWaalsContact O-CB 3.31Å; Y351-K355 WeakPolarHBondContact O-CB 3.01Å; Y351-K355 PolarHBondContact O-N 2.87Å; Q352-K355 WeakPolarHBondContact O-CB 3.45Å; Q352-K355 PolarHBondContact O-N 3.22Å; F353-K355 VanDerWaalsContact C-N 3.25Å; F353-K355 PolarHBondContact O-N 3.19Å; K355-A359 WeakPolarHBondContact O-CB 3.32Å; K355-A359 PolarHBondContact O-N 3.37Å
356	G	98.1	Very high	97.1	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-60.9	-49.5	175.5	0	0	0	0	0	112.2	Q352 F353 A359 L360	Q352-G356 PolarHBondContact O-N 3.34Å; F353-G356 PolarHBondContact O-N 2.87Å; G356-A359 PolarHBondContact O-N 2.79Å; G356-L360 WeakPolarHBondContact O-CB 3.29Å; G356-L360 PolarHBondContact O-N 2.95Å
357	M	98.5	Very high	97.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.1	-47.2	177.3	-72.9	-59.6	-75.2	0	0	112.5	V342 V344 F353 A359 L360 V361 I630 I670 V683	V342-M357 HydrophobicContact CG1-CE 3.88Å; V344-M357 HydrophobicContact CG1-CE 3.59Å; V344-M357 HydrophobicContact CG1-CG 4.31Å; F353-M357 HydrophobicContact CD1-CG 4.24Å; F353-M357 HydrophobicContact CD2-CG 4.06Å; F353-M357 HydrophobicContact CE1-CG 3.83Å; F353-M357 HydrophobicContact CE2-CG 3.61Å; F353-M357 HydrophobicContact CE2-SD 4.14Å; F353-M357 HydrophobicContact CG-CG 4.37Å; F353-M357 HydrophobicContact CZ-CG 3.5Å; F353-M357 HydrophobicContact CZ-SD 4.21Å; F353-M357 WeakPolarHBondContact O-CG 3.42Å; F353-M357 PolarHBondContact O-N 3.48Å; M357-A359 VanDerWaalsContact C-N 3.31Å; M357-A359 PolarHBondContact O-N 3.21Å; M357-L360 PolarHBondContact O-N 2.99Å; M357-V361 WeakPolarHBondContact O-CB 3.27Å; M357-V361 VanDerWaalsContact O-CG2 3.28Å; M357-V361 WeakPolarHBondContact O-CG2 3.46Å; M357-V361 PolarHBondContact O-N 2.94Å; M357-I630 HydrophobicContact CE-CD1 3.65Å; M357-I630 HydrophobicContact CE-CG2 4.27Å; M357-I630 HydrophobicContact SD-CG2 4.2Å; M357-I670 HydrophobicContact CG-CD1 4.22Å; M357-I670 HydrophobicContact SD-CD1 3.44Å; M357-I670 WeakPolarHBondContact SD-CD1 3.37Å; M357-V683 HydrophobicContact SD-CG1 4.03Å
358	K	98.4	Very high	97.2	Very high	105 Å²	105	62.7 Å²	62.7	46%	0.457	34%	0.338	S	S	.	.	H	α-helix	trans	-59.2	-41.8	176	-77.4	170.4	-177.1	176	0	112	L354 S362 L368	L354-K358 VanDerWaalsContact O-CB 3.26Å; L354-K358 WeakPolarHBondContact O-CB 3.25Å; L354-K358 WeakPolarHBondContact O-CD 3.4Å; L354-K358 WeakPolarHBondContact O-CG 3.4Å; L354-K358 PolarHBondContact O-N 3.41Å; K358-S362 WeakPolarHBondContact O-CB 3.43Å; K358-S362 PolarHBondContact O-N 3.43Å; K358-L368 HydrophobicContact CB-CD2 4.39Å; K358-L368 HydrophobicContact CG-CD2 3.5Å
359	A	98.3	Very high	97.4	Very high	60 Å²	60	59.7 Å²	59.7	50%	0.496	31%	0.31	S	S	.	.	H	α-helix	trans	-66.6	-45.1	178.6	0	0	0	0	0	111.9	K355 G356 M357 R363	K355-A359 WeakPolarHBondContact O-CB 3.32Å; K355-A359 PolarHBondContact O-N 3.37Å; G356-A359 PolarHBondContact O-N 2.79Å; M357-A359 VanDerWaalsContact C-N 3.31Å; M357-A359 PolarHBondContact O-N 3.21Å; A359-R363 VanDerWaalsContact O-CB 3.29Å; A359-R363 WeakPolarHBondContact O-CB 3.35Å; A359-R363 PolarHBondContact O-N 3.02Å; A359-R363 VanDerWaalsContact O-N 3.08Å
360	L	98.4	Very high	97.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-57.1	176.3	173.4	62.1	0	0	0	111.1	G356 M357 S362 R363 C364 I630 L632 D635 G637 I670	G356-L360 WeakPolarHBondContact O-CB 3.29Å; G356-L360 PolarHBondContact O-N 2.95Å; M357-L360 PolarHBondContact O-N 2.99Å; L360-S362 PolarHBondContact O-N 2.82Å; L360-R363 WeakPolarHBondContact O-CB 3.33Å; L360-R363 PolarHBondContact O-N 2.94Å; L360-R363 VanDerWaalsContact O-N 3.16Å; L360-C364 PolarHBondContact O-N 2.77Å; L360-C364 PolarHBondContact O-SG 2.78Å; L360-I630 HydrophobicContact CD2-CG2 3.82Å; L360-L632 HydrophobicContact CD2-CD1 4.17Å; L360-L632 HydrophobicContact CG-CD1 4.05Å; L360-D635 HydrophobicContact CD1-CB 4Å; L360-G637 VanDerWaalsContact CD2-CA 3.45Å; L360-I670 HydrophobicContact CD2-CD1 3.98Å
361	V	98.4	Very high	97.6	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-41.1	-174.1	176.4	0	0	0	0	111.7	V342 M357 C364 G365 Y366 L368 L632	V342-V361 HydrophobicContact CB-CG1 4.44Å; V342-V361 HydrophobicContact CB-CG2 3.99Å; V342-V361 HydrophobicContact CG1-CG2 4.01Å; V342-V361 HydrophobicContact CG2-CG1 4.31Å; V342-V361 HydrophobicContact CG2-CG2 3.88Å; M357-V361 WeakPolarHBondContact O-CB 3.27Å; M357-V361 VanDerWaalsContact O-CG2 3.28Å; M357-V361 WeakPolarHBondContact O-CG2 3.46Å; M357-V361 PolarHBondContact O-N 2.94Å; V361-C364 PolarHBondContact O-N 3.4Å; V361-G365 PolarHBondContact O-N 3.23Å; V361-Y366 WeakPolarHBondContact CG1-O 3.49Å; V361-Y366 PolarHBondContact O-N 3.49Å; V361-L368 HydrophobicContact CG1-CB 3.91Å; V361-L368 HydrophobicContact CG2-CD1 4.28Å; V361-L632 HydrophobicContact CG2-CD1 3.96Å
362	S	97.3	Very high	97.7	Very high	96 Å²	96	54.6 Å²	54.6	67%	0.671	30%	0.295	S	S	*	.	H	α-helix	trans	-61.8	-43	175.2	-177.8	0	0	0	0	112.1	K358 L360 C364 G365	K358-S362 WeakPolarHBondContact O-CB 3.43Å; K358-S362 PolarHBondContact O-N 3.43Å; L360-S362 PolarHBondContact O-N 2.82Å; S362-C364 VanDerWaalsContact C-N 3.3Å; S362-C364 PolarHBondContact O-N 2.66Å; S362-G365 PolarHBondContact O-N 2.97Å; S362-G365 VanDerWaalsContact O-N 3.16Å
363	R	96.9	Very high	97.6	Very high	124 Å²	124	54.3 Å²	54.3	47%	0.468	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-37.3	176.6	-174.6	-175.4	70.7	-135	6.3	112.1	A359 L360 G365 D635 T668	A359-R363 VanDerWaalsContact O-CB 3.29Å; A359-R363 WeakPolarHBondContact O-CB 3.35Å; A359-R363 PolarHBondContact O-N 3.02Å; A359-R363 VanDerWaalsContact O-N 3.08Å; L360-R363 WeakPolarHBondContact O-CB 3.33Å; L360-R363 PolarHBondContact O-N 2.94Å; L360-R363 VanDerWaalsContact O-N 3.16Å; R363-G365 VanDerWaalsContact C-N 3.3Å; R363-D635 IonicContact CZ-OD1 2.98Å; R363-D635 IonicContact NE-OD1 3.65Å; R363-D635 PolarHBondContact NE-OD1 3.07Å; R363-D635 IonicContact NH2-OD1 3.2Å; R363-D635 PolarHBondContact NH2-OD1 2.8Å; R363-T668 PolarHBondContact NH1-OG1 3.42Å; R363-T668 PolarHBondContact NH2-OG1 3.26Å
364	C	96.6	Very high	97.4	Very high	26 Å²	26	61.8 Å²	61.8	18%	0.176	32%	0.323	C	S	.	.	H	α-helix	trans	-76.6	-15.4	177.8	-58.6	0	0	0	0	113.4	L360 V361 S362 Y366 D635	L360-C364 PolarHBondContact O-N 2.77Å; L360-C364 PolarHBondContact O-SG 2.78Å; V361-C364 PolarHBondContact O-N 3.4Å; S362-C364 VanDerWaalsContact C-N 3.3Å; S362-C364 PolarHBondContact O-N 2.66Å; C364-Y366 HydrophobicContact CB-CD2 3.39Å; C364-Y366 HydrophobicContact CB-CE2 3.61Å; C364-Y366 HydrophobicContact CB-CG 4.43Å; C364-D635 WeakPolarHBondContact SG-CB 3.43Å
365	G	96.6	Very high	97.3	Very high	66 Å²	66	62 Å²	62	68%	0.68	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	21.2	-179.5	0	0	0	0	0	114.5	V361 S362 R363	V361-G365 PolarHBondContact O-N 3.23Å; S362-G365 PolarHBondContact O-N 2.97Å; S362-G365 VanDerWaalsContact O-N 3.16Å; R363-G365 VanDerWaalsContact C-N 3.3Å
366	Y	97.6	Very high	97.2	Very high	58 Å²	58	56.5 Å²	56.5	23%	0.227	30%	0.3	C	S	.	.			trans	-92.5	162.4	176.9	-62.4	-60.5	0	0	0	112	P339 V361 C364 L632	P339-Y366 HydrophobicContact CB-CD1 4.08Å; P339-Y366 HydrophobicContact CB-CD2 4.12Å; P339-Y366 HydrophobicContact CB-CE1 3.87Å; P339-Y366 HydrophobicContact CB-CE2 3.92Å; P339-Y366 HydrophobicContact CB-CG 4.22Å; P339-Y366 HydrophobicContact CG-CD2 4.47Å; P339-Y366 HydrophobicContact CG-CE1 4.31Å; P339-Y366 HydrophobicContact CG-CE2 3.85Å; P339-Y366 WeakPolarHBondContact O-CD1 3.46Å; P339-Y366 WeakPolarHBondContact O-CE1 3.37Å; V361-Y366 WeakPolarHBondContact CG1-O 3.49Å; V361-Y366 PolarHBondContact O-N 3.49Å; C364-Y366 HydrophobicContact CB-CD2 3.39Å; C364-Y366 HydrophobicContact CB-CE2 3.61Å; C364-Y366 HydrophobicContact CB-CG 4.43Å; Y366-L632 HydrophobicContact CD2-CB 4.23Å; Y366-L632 HydrophobicContact CD2-CD1 4.35Å; Y366-L632 HydrophobicContact CE2-CB 3.99Å
367	K	97.9	Very high	97.1	Very high	134 Å²	134	60.2 Å²	60.2	58%	0.583	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	145.6	173.1	-66	-178.1	-178.2	-178.7	0	110.4	E341 V342	E341-K367 HydrophobicContact CB-CB 4.17Å; E341-K367 HydrophobicContact CG-CB 3.85Å; V342-K367 PolarHBondContact N-O 3.01Å
368	L	98.4	Very high	97	Very high	52 Å²	52	61.8 Å²	61.8	27%	0.272	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.3	173.5	-177.5	65.5	0	0	0	109.3	V342 V344 K358 V361 V370	V342-L368 HydrophobicContact CB-CD1 4.06Å; V342-L368 HydrophobicContact CG1-CD1 4Å; V342-L368 CarbonylContact O-C 3.54Å; V342-L368 WeakPolarHBondContact O-CA 3.49Å; V344-L368 HydrophobicContact CG1-CD1 4.39Å; V344-L368 HydrophobicContact CG2-CD1 3.86Å; K358-L368 HydrophobicContact CB-CD2 4.39Å; K358-L368 HydrophobicContact CG-CD2 3.5Å; V361-L368 HydrophobicContact CG1-CB 3.91Å; V361-L368 HydrophobicContact CG2-CD1 4.28Å; L368-V370 HydrophobicContact CD2-CG2 4.05Å; L368-V370 HydrophobicContact CG-CG2 4Å
369	K	98.3	Very high	96.9	Very high	50 Å²	50	57.2 Å²	57.2	22%	0.217	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.9	167.2	-167.9	176.7	-174.2	-176.8	0	108.7	V342 F343 V344 E417	V342-K369 PolarHBondContact O-N 2.76Å; F343-K369 WeakPolarHBondContact CA-O 3.49Å; F343-K369 HydrophobicContact CD1-CB 3.72Å; F343-K369 HydrophobicContact CD1-CD 3.87Å; F343-K369 HydrophobicContact CD1-CG 4.18Å; F343-K369 HydrophobicContact CE1-CB 3.86Å; F343-K369 HydrophobicContact CE1-CD 3.54Å; F343-K369 HydrophobicContact CE1-CG 4.22Å; F343-K369 HydrophobicContact CG-CB 4.42Å; V344-K369 PolarHBondContact N-O 3.49Å; K369-E417 PolarHBondContact NZ-O 2.78Å; K369-E417 IonicContact NZ-OE2 3.74Å; K369-E417 PolarHBondContact NZ-OE2 2.69Å
370	V	98.3	Very high	96.8	Very high	43 Å²	43	56 Å²	56	26%	0.261	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.8	176.8	-175.8	0	0	0	0	108.6	V344 L354 L368 L372	V344-V370 HydrophobicContact CG2-CB 4.42Å; V344-V370 HydrophobicContact CG2-CG1 4.37Å; V344-V370 HydrophobicContact CG2-CG2 3.9Å; V344-V370 CarbonylContact O-C 3.47Å; V344-V370 WeakPolarHBondContact O-CA 3.4Å; L354-V370 HydrophobicContact CD2-CG1 4.46Å; L368-V370 HydrophobicContact CD2-CG2 4.05Å; L368-V370 HydrophobicContact CG-CG2 4Å; V370-L372 HydrophobicContact CG1-CD2 4.15Å
371	C	97.9	Very high	96.8	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.034	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.4	171.5	-173.5	0	0	0	0	109.2	V344 C345 S346 M375 N376 M382 F413	V344-C371 PolarHBondContact O-N 3.31Å; C345-C371 CarbonylContact C-O 3.6Å; C345-C371 WeakPolarHBondContact CA-O 3.49Å; S346-C371 PolarHBondContact N-O 2.96Å; C371-M375 VanDerWaalsContact SG-CG 3.55Å; C371-N376 PolarHBondContact O-ND2 3.34Å; C371-N376 VanDerWaalsContact O-ND2 3.09Å; C371-M382 HydrophobicContact CB-CE 3.65Å; C371-F413 HydrophobicContact CB-CD2 4.12Å; C371-F413 HydrophobicContact CB-CE2 3.73Å; C371-F413 HydrophobicContact CB-CZ 4.47Å; C371-F413 WeakPolarHBondContact SG-CD2 3.36Å
372	L	97.1	Very high	96.8	Very high	81 Å²	81	57.8 Å²	57.8	42%	0.424	29%	0.294	S	S	.	.			trans	-91.5	164.2	-175.5	-60.9	179.2	0	0	0	111.6	V370 Y374 M375 N376	V370-L372 HydrophobicContact CG1-CD2 4.15Å; L372-Y374 HydrophobicContact CB-CD1 3.78Å; L372-Y374 HydrophobicContact CB-CE1 3.7Å; L372-Y374 HydrophobicContact CD1-CE1 4.02Å; L372-Y374 HydrophobicContact CG-CE1 4.34Å; L372-Y374 PolarHBondContact O-N 2.77Å; L372-Y374 VanDerWaalsContact O-N 3.1Å; L372-M375 PolarHBondContact O-N 3.44Å; L372-N376 PolarHBondContact O-N 3.07Å
373	E	93.8	Very high	96.8	Very high	93 Å²	93	53.4 Å²	53.4	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-57.9	-27.1	-174	-68.7	-171.2	160.6	0	0	115.6	S346 T347 S348 M375 N376 R377	S346-E373 WeakPolarHBondContact O-CG 3.43Å; T347-E373 VanDerWaalsContact C-OE1 3.26Å; T347-E373 WeakPolarHBondContact CA-OE1 3.48Å; S348-E373 WeakPolarHBondContact CA-OE1 3.31Å; S348-E373 WeakPolarHBondContact CB-OE1 3.39Å; S348-E373 PolarHBondContact N-OE1 2.83Å; E373-M375 PolarHBondContact O-N 2.95Å; E373-N376 VanDerWaalsContact CA-OD1 3.3Å; E373-N376 WeakPolarHBondContact CA-OD1 3.3Å; E373-R377 VanDerWaalsContact O-CA 3.3Å; E373-R377 WeakPolarHBondContact O-CA 3.15Å; E373-R377 PolarHBondContact O-N 2.84Å
374	Y	92.9	Very high	96.8	Very high	157 Å²	157	48.2 Å²	48.2	62%	0.616	24%	0.244	S	C	*	.	H	α-helix	trans	-64.5	-25.8	176	74.4	-99.3	0	0	0	112.5	L372 E417	L372-Y374 HydrophobicContact CB-CD1 3.78Å; L372-Y374 HydrophobicContact CB-CE1 3.7Å; L372-Y374 HydrophobicContact CD1-CE1 4.02Å; L372-Y374 HydrophobicContact CG-CE1 4.34Å; L372-Y374 PolarHBondContact O-N 2.77Å; L372-Y374 VanDerWaalsContact O-N 3.1Å; Y374-E417 PolarHBondContact OH-OE1 2.91Å
375	M	96.1	Very high	96.8	Very high	15 Å²	15	47 Å²	47	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-101.3	-50.4	-179.3	178.8	54.9	65.2	0	0	110.7	C371 L372 E373 R377 D412 F413 D416 E417	C371-M375 VanDerWaalsContact SG-CG 3.55Å; L372-M375 PolarHBondContact O-N 3.44Å; E373-M375 PolarHBondContact O-N 2.95Å; M375-R377 VanDerWaalsContact C-N 3.33Å; M375-R377 PolarHBondContact O-N 2.93Å; M375-D412 HydrophobicContact SD-CB 4.23Å; M375-F413 HydrophobicContact CG-CB 4.3Å; M375-F413 HydrophobicContact CG-CD2 3.82Å; M375-F413 HydrophobicContact SD-CB 4.38Å; M375-D416 HydrophobicContact CE-CB 4.09Å; M375-E417 HydrophobicContact CE-CG 3.86Å; M375-E417 HydrophobicContact CG-CG 4.09Å; M375-E417 HydrophobicContact SD-CG 4.28Å
376	N	95.8	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-76.4	-17.9	-177.6	74.6	29.7	0	0	0	114.5	S346 C371 L372 E373 G378 D379 L410	S346-N376 PolarHBondContact O-ND2 3.15Å; C371-N376 PolarHBondContact O-ND2 3.34Å; C371-N376 VanDerWaalsContact O-ND2 3.09Å; L372-N376 PolarHBondContact O-N 3.07Å; E373-N376 VanDerWaalsContact CA-OD1 3.3Å; E373-N376 WeakPolarHBondContact CA-OD1 3.3Å; N376-G378 PolarHBondContact O-N 2.73Å; N376-G378 PolarHBondContact OD1-N 3.46Å; N376-D379 WeakPolarHBondContact CB-O 3.2Å; N376-D379 WeakPolarHBondContact O-CB 3.27Å; N376-D379 PolarHBondContact O-N 2.91Å; N376-L410 HydrophobicContact CB-CD2 3.61Å; N376-L410 HydrophobicContact CB-CG 4.32Å
377	R	96.3	Very high	96.9	Very high	98 Å²	98	41.7 Å²	41.7	37%	0.37	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	32.8	178.7	-58.2	167.1	-83	-111	17	114.1	E373 M375 H409 D411 D412	E373-R377 VanDerWaalsContact O-CA 3.3Å; E373-R377 WeakPolarHBondContact O-CA 3.15Å; E373-R377 PolarHBondContact O-N 2.84Å; M375-R377 VanDerWaalsContact C-N 3.33Å; M375-R377 PolarHBondContact O-N 2.93Å; R377-H409 HydrophobicContact CB-CB 3.98Å; R377-H409 VanDerWaalsContact CZ-O 3.23Å; R377-H409 PolarHBondContact NE-O 2.89Å; R377-H409 PolarHBondContact NH2-O 3.36Å; R377-D411 IonicContact CZ-OD1 3.84Å; R377-D411 IonicContact NH2-OD1 3.45Å; R377-D411 PolarHBondContact NH2-OD1 2.72Å; R377-D412 IonicContact CZ-OD2 2.72Å; R377-D412 VanDerWaalsContact CZ-OD2 3.27Å; R377-D412 IonicContact NH1-OD2 3.93Å; R377-D412 PolarHBondContact NH1-OD2 3Å; R377-D412 IonicContact NH2-OD2 3.52Å; R377-D412 PolarHBondContact NH2-OD2 3.03Å
378	G	94.9	Very high	97	Very high	33 Å²	33	35.4 Å²	35.4	34%	0.34	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-6.6	-179.8	0	0	0	0	0	115.1	N376	N376-G378 PolarHBondContact O-N 2.73Å; N376-G378 PolarHBondContact OD1-N 3.46Å
379	D	96.8	Very high	97	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.048	16%	0.157	C	C	.	.			trans	-76.1	124.2	172.5	-173.1	-3	0	0	0	110.6	C345 N376 W381 R406 H409 L410	C345-D379 PolarHBondContact SG-O 3.31Å; N376-D379 WeakPolarHBondContact CB-O 3.2Å; N376-D379 WeakPolarHBondContact O-CB 3.27Å; N376-D379 PolarHBondContact O-N 2.91Å; D379-W381 PolarHBondContact OD1-N 3.07Å; D379-W381 VanDerWaalsContact OD1-N 3.08Å; D379-R406 IonicContact OD1-NH2 3.83Å; D379-R406 PolarHBondContact OD1-NH2 3.02Å; D379-R406 IonicContact OD2-CZ 3.64Å; D379-R406 VanDerWaalsContact OD2-CZ 3.31Å; D379-R406 IonicContact OD2-NH1 2.62Å; D379-R406 PolarHBondContact OD2-NH1 3.42Å; D379-R406 IonicContact OD2-NH2 2.9Å; D379-R406 PolarHBondContact OD2-NH2 2.99Å; D379-H409 HydrophobicContact CB-CB 3.74Å; D379-H409 PolarHBondContact OD2-N 3.42Å; D379-L410 HydrophobicContact CB-CD1 4.32Å; D379-L410 HydrophobicContact CB-CG 4.06Å
380	R	97.4	Very high	97	Very high	35 Å²	35	30.9 Å²	30.9	13%	0.132	15%	0.148	C	C	.	.			trans	-104.3	-7.2	-172.5	67.1	-179.8	62.1	80.2	-12	113	T347 D349 M382 S675 Y676 L679 G686	T347-R380 HydrophobicContact CG2-CB 4Å; D349-R380 IonicContact OD1-NH2 2.94Å; D349-R380 IonicContact OD2-NH2 3.55Å; D349-R380 PolarHBondContact OD2-NH2 2.84Å; R380-M382 PolarHBondContact O-N 3.02Å; R380-M382 VanDerWaalsContact O-N 3.15Å; R380-S675 WeakPolarHBondContact CD-O 3.45Å; R380-S675 PolarHBondContact NE-O 2.85Å; R380-Y676 HydrophobicContact CB-CE1 3.79Å; R380-Y676 HydrophobicContact CG-CD1 4.09Å; R380-Y676 HydrophobicContact CG-CE1 3.73Å; R380-L679 VanDerWaalsContact NH2-CD1 3.27Å; R380-G686 WeakPolarHBondContact O-CA 3.47Å
381	W	97.8	Very high	97.1	Very high	37 Å²	37	28.9 Å²	28.9	14%	0.14	14%	0.135	C	C	.	.			trans	-92.2	69.4	-166.6	-48.5	116.6	0	0	0	111	D379 Q383 D384 Y676 L679 C685	D379-W381 PolarHBondContact OD1-N 3.07Å; D379-W381 VanDerWaalsContact OD1-N 3.08Å; W381-Q383 PolarHBondContact O-N 3.14Å; W381-D384 HydrophobicContact CB-CB 3.91Å; W381-D384 WeakPolarHBondContact CB-OD2 3.22Å; W381-D384 PolarHBondContact O-N 2.81Å; W381-D384 VanDerWaalsContact O-N 3.12Å; W381-Y676 HydrophobicContact CE3-CD1 4.2Å; W381-Y676 HydrophobicContact CH2-CD1 4.2Å; W381-Y676 AromaticContact CZ3-CD1 3.64Å; W381-Y676 HydrophobicContact CZ3-CD1 3.64Å; W381-Y676 HydrophobicContact CZ3-CE1 4.46Å; W381-L679 HydrophobicContact CH2-CB 4.02Å; W381-L679 HydrophobicContact CZ2-CB 3.76Å; W381-L679 WeakPolarHBondContact CZ2-O 3.5Å; W381-C685 CarbonylContact C-O 3.56Å; W381-C685 WeakPolarHBondContact CA-O 3.3Å; W381-C685 HydrophobicContact CE3-CB 3.79Å; W381-C685 HydrophobicContact CZ3-CB 3.97Å
382	M	97.9	Very high	97.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-26.3	-178.3	-177.7	60.4	61.5	0	0	113	F343 C345 C371 R380 L386 L410 F413 C685 N688	F343-M382 HydrophobicContact CB-CG 3.78Å; F343-M382 HydrophobicContact CB-SD 4.11Å; C345-M382 VanDerWaalsContact SG-CE 3.56Å; C371-M382 HydrophobicContact CB-CE 3.65Å; R380-M382 PolarHBondContact O-N 3.02Å; R380-M382 VanDerWaalsContact O-N 3.15Å; M382-L386 HydrophobicContact SD-CD2 3.82Å; M382-L410 HydrophobicContact CE-CD2 4.15Å; M382-F413 HydrophobicContact CE-CD1 4.2Å; M382-F413 HydrophobicContact CE-CD2 4.48Å; M382-F413 HydrophobicContact CE-CE1 3.88Å; M382-F413 HydrophobicContact CE-CE2 4.18Å; M382-F413 HydrophobicContact CE-CG 4.5Å; M382-F413 HydrophobicContact CE-CZ 3.87Å; M382-F413 HydrophobicContact SD-CD1 4.06Å; M382-F413 HydrophobicContact SD-CE1 3.65Å; M382-F413 HydrophobicContact SD-CZ 4.15Å; M382-C685 PolarHBondContact N-O 2.81Å; M382-N688 HydrophobicContact CG-CB 3.8Å; M382-N688 PolarHBondContact O-ND2 3.43Å
383	Q	96.8	Very high	97.2	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	12%	0.116	C	C	.	.	H	α-helix	trans	-72.1	-31.4	175.6	-170.5	58.7	20.1	0	0	112.4	W381 F441 H684 C685 S687 N688	W381-Q383 PolarHBondContact O-N 3.14Å; Q383-F441 CarbonylContact O-C 3.51Å; Q383-F441 WeakPolarHBondContact O-CB 3.16Å; Q383-H684 VanDerWaalsContact CD-CE1 3.43Å; Q383-H684 PolarHBondContact NE2-CE1 3.02Å; Q383-H684 VanDerWaalsContact NE2-CE1 3.34Å; Q383-C685 VanDerWaalsContact CB-O 3.32Å; Q383-C685 WeakPolarHBondContact CB-O 3.42Å; Q383-C685 PolarHBondContact N-O 3.11Å; Q383-S687 WeakPolarHBondContact CB-O 3.49Å; Q383-S687 PolarHBondContact OE1-O 2.75Å; Q383-N688 PolarHBondContact OE1-ND2 3.25Å
384	D	97.5	Very high	97.4	Very high	14 Å²	14	22.3 Å²	22.3	8%	0.075	11%	0.105	C	C	.	.	H	α-helix	trans	-79.1	-31.6	-168.5	-77.5	-11.6	0	0	0	113.5	W381 S404 S440 F441 G442 H505	W381-D384 HydrophobicContact CB-CB 3.91Å; W381-D384 WeakPolarHBondContact CB-OD2 3.22Å; W381-D384 PolarHBondContact O-N 2.81Å; W381-D384 VanDerWaalsContact O-N 3.12Å; D384-S404 WeakPolarHBondContact O-CB 3.44Å; D384-S440 WeakPolarHBondContact O-CA 3.32Å; D384-F441 PolarHBondContact O-N 2.77Å; D384-G442 PolarHBondContact OD1-N 2.93Å; D384-H505 IonicContact OD1-CE1 3.75Å; D384-H505 PolarHBondContact OD1-CE1 2.82Å; D384-H505 IonicContact OD1-ND1 2.72Å
385	E	97.6	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-82.8	-25.8	-174	-160.2	68.1	-173.1	0	0	112.8	S404 R406 D407 G408 L410 D411 P414	E385-S404 VanDerWaalsContact O-CB 3.22Å; E385-S404 WeakPolarHBondContact O-CB 3.33Å; E385-S404 PolarHBondContact O-N 2.92Å; E385-R406 WeakPolarHBondContact OE2-CD 3.44Å; E385-R406 IonicContact OE2-CZ 3.15Å; E385-R406 IonicContact OE2-NE 2.72Å; E385-R406 IonicContact OE2-NH1 2.74Å; E385-R406 PolarHBondContact OE2-NH1 2.67Å; E385-D407 WeakPolarHBondContact OE1-CA 3.18Å; E385-D407 PolarHBondContact OE1-N 3.06Å; E385-G408 PolarHBondContact OE1-N 3.05Å; E385-G408 PolarHBondContact OE2-N 3.46Å; E385-L410 HydrophobicContact CB-CB 3.89Å; E385-L410 HydrophobicContact CB-CD1 4.49Å; E385-L410 HydrophobicContact CG-CB 3.7Å; E385-D411 WeakPolarHBondContact OE1-CA 3.3Å; E385-D411 PolarHBondContact OE1-N 2.64Å; E385-P414 HydrophobicContact CG-CG 4.4Å
386	L	97.6	Very high	97.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	153.1	-167.8	71.6	94	0	0	0	113.5	M382 F388 V401 L402 F413 P414 L418 N688	M382-L386 HydrophobicContact SD-CD2 3.82Å; L386-F388 HydrophobicContact CD1-CD1 4.27Å; L386-F388 HydrophobicContact CD1-CD2 3.95Å; L386-F388 HydrophobicContact CD1-CE1 3.91Å; L386-F388 HydrophobicContact CD1-CE2 3.55Å; L386-F388 HydrophobicContact CD1-CG 4.3Å; L386-F388 HydrophobicContact CD1-CZ 3.52Å; L386-V401 HydrophobicContact CB-CG2 3.62Å; L386-V401 HydrophobicContact CD1-CG2 3.92Å; L386-V401 HydrophobicContact CG-CG2 4.26Å; L386-L402 CarbonylContact C-O 2.85Å; L386-L402 WeakPolarHBondContact CA-O 3.48Å; L386-F413 HydrophobicContact CD2-CD1 3.58Å; L386-F413 HydrophobicContact CD2-CE1 3.76Å; L386-P414 HydrophobicContact CB-CG 3.95Å; L386-P414 HydrophobicContact CD2-CG 3.95Å; L386-L418 HydrophobicContact CD1-CD1 4.39Å; L386-L418 HydrophobicContact CD2-CD1 4.12Å; L386-N688 WeakPolarHBondContact CD1-ND2 3.46Å; L386-N688 PolarHBondContact O-ND2 3.09Å
387	E	98.8	Very high	97.8	Very high	12 Å²	12	21.1 Å²	21.1	6%	0.056	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.6	176.9	-176.6	53.3	-139.8	0	0	109.8	W330 M332 G389 L402 F441 L444	W330-E387 HydrophobicContact CH2-CB 4.21Å; W330-E387 HydrophobicContact CH2-CG 3.71Å; W330-E387 HydrophobicContact CZ2-CB 4.3Å; W330-E387 HydrophobicContact CZ2-CG 4.02Å; M332-E387 HydrophobicContact CE-CG 3.62Å; M332-E387 WeakPolarHBondContact CE-OE1 3.31Å; M332-E387 HydrophobicContact CG-CG 4.28Å; M332-E387 HydrophobicContact SD-CG 4.22Å; E387-G389 PolarHBondContact O-N 2.79Å; E387-L402 HydrophobicContact CB-CB 4.48Å; E387-L402 PolarHBondContact N-O 3.4Å; E387-L402 PolarHBondContact O-N 3.06Å; E387-F441 HydrophobicContact CB-CB 4.3Å; E387-F441 HydrophobicContact CB-CD2 3.59Å; E387-F441 HydrophobicContact CB-CE2 4.19Å; E387-F441 HydrophobicContact CB-CG 4.18Å; E387-L444 HydrophobicContact CB-CD2 4.31Å; E387-L444 HydrophobicContact CG-CD2 4.23Å
388	F	98.9	Very high	97.9	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	112	179.8	-68.9	-67.8	0	0	0	110.9	F343 L386 L418 F423 N688 R690	F343-F388 HydrophobicContact CD1-CZ 4.18Å; F343-F388 AromaticContact CD2-CE2 3.5Å; F343-F388 HydrophobicContact CD2-CE2 3.5Å; F343-F388 VanDerWaalsContact CD2-CE2 3.5Å; F343-F388 AromaticContact CD2-CZ 3.54Å; F343-F388 HydrophobicContact CD2-CZ 3.54Å; F343-F388 HydrophobicContact CE1-CZ 4.02Å; F343-F388 HydrophobicContact CE2-CE1 4.19Å; F343-F388 AromaticContact CE2-CE2 3.66Å; F343-F388 HydrophobicContact CE2-CE2 3.66Å; F343-F388 AromaticContact CE2-CZ 3.38Å; F343-F388 HydrophobicContact CE2-CZ 3.38Å; F343-F388 HydrophobicContact CG-CE2 4.13Å; F343-F388 AromaticContact CG-CZ 3.97Å; F343-F388 HydrophobicContact CG-CZ 3.97Å; F343-F388 HydrophobicContact CZ-CE1 4.2Å; F343-F388 HydrophobicContact CZ-CE2 4.37Å; F343-F388 AromaticContact CZ-CZ 3.64Å; F343-F388 HydrophobicContact CZ-CZ 3.64Å; L386-F388 HydrophobicContact CD1-CD1 4.27Å; L386-F388 HydrophobicContact CD1-CD2 3.95Å; L386-F388 HydrophobicContact CD1-CE1 3.91Å; L386-F388 HydrophobicContact CD1-CE2 3.55Å; L386-F388 HydrophobicContact CD1-CG 4.3Å; L386-F388 HydrophobicContact CD1-CZ 3.52Å; F388-L418 HydrophobicContact CE1-CD1 3.66Å; F388-L418 HydrophobicContact CE1-CD2 4.43Å; F388-L418 HydrophobicContact CZ-CD1 4.03Å; F388-F423 HydrophobicContact CD1-CE1 4.42Å; F388-F423 AromaticContact CD1-CZ 3.78Å; F388-F423 HydrophobicContact CD1-CZ 3.78Å; F388-F423 HydrophobicContact CE1-CE1 4.31Å; F388-F423 AromaticContact CE1-CZ 3.62Å; F388-F423 HydrophobicContact CE1-CZ 3.62Å; F388-N688 VanDerWaalsContact CD2-OD1 3.25Å; F388-N688 WeakPolarHBondContact CD2-OD1 3.41Å; F388-N688 HydrophobicContact CE2-CB 4.08Å; F388-R690 HydrophobicContact CB-CB 4.43Å; F388-R690 HydrophobicContact CB-CG 4.39Å; F388-R690 HydrophobicContact CD1-CB 4.24Å; F388-R690 HydrophobicContact CD1-CG 4.28Å; F388-R690 HydrophobicContact CD2-CB 4.01Å; F388-R690 HydrophobicContact CE2-CB 4.31Å; F388-R690 HydrophobicContact CG-CB 3.97Å; F388-R690 HydrophobicContact CG-CG 4.24Å
389	G	98.9	Very high	98.1	Very high	4 Å²	4	16.4 Å²	16.4	4%	0.041	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-167	166.8	0	0	0	0	0	112.9	I331 E387 P399 V400	I331-G389 CarbonylContact O-C 3.59Å; I331-G389 WeakPolarHBondContact O-CA 3.41Å; E387-G389 PolarHBondContact O-N 2.79Å; G389-P399 CarbonylContact O-C 3.56Å; G389-P399 WeakPolarHBondContact O-CA 3.47Å; G389-V400 CarbonylContact C-O 3.51Å; G389-V400 WeakPolarHBondContact CA-O 3.25Å; G389-V400 PolarHBondContact N-O 3.05Å; G389-V400 PolarHBondContact O-N 2.89Å
390	Y	98.9	Very high	98.2	Very high	4 Å²	4	16 Å²	16	2%	0.016	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	163.6	174.3	71.7	-82.2	0	0	0	111.7	I331 T333 D392 F398 P693 F694	I331-Y390 HydrophobicContact CB-CD1 4.04Å; I331-Y390 HydrophobicContact CB-CE1 3.65Å; I331-Y390 HydrophobicContact CB-CE2 4.36Å; I331-Y390 HydrophobicContact CD1-CE2 3.97Å; I331-Y390 HydrophobicContact CG2-CD1 4.35Å; I331-Y390 HydrophobicContact CG2-CE1 3.52Å; I331-Y390 PolarHBondContact N-O 2.99Å; I331-Y390 VanDerWaalsContact O-CD1 3.29Å; I331-Y390 WeakPolarHBondContact O-CD1 3.28Å; I331-Y390 PolarHBondContact O-N 2.86Å; T333-Y390 HydrophobicContact CG2-CD1 3.98Å; T333-Y390 HydrophobicContact CG2-CE1 4.11Å; Y390-D392 HydrophobicContact CD2-CB 4.1Å; Y390-D392 HydrophobicContact CE2-CB 3.92Å; Y390-F398 WeakPolarHBondContact CA-O 3.49Å; Y390-P693 HydrophobicContact CD1-CB 4Å; Y390-P693 HydrophobicContact CD1-CG 4.25Å; Y390-P693 HydrophobicContact CD2-CB 3.75Å; Y390-P693 HydrophobicContact CD2-CG 3.99Å; Y390-P693 HydrophobicContact CE1-CB 3.92Å; Y390-P693 HydrophobicContact CE2-CB 3.67Å; Y390-P693 HydrophobicContact CE2-CG 4.42Å; Y390-P693 HydrophobicContact CG-CB 3.91Å; Y390-P693 HydrophobicContact CG-CG 3.89Å; Y390-F694 HydrophobicContact CE1-CD2 4.17Å; Y390-F694 WeakPolarHBondContact OH-CD2 3.36Å; Y390-F694 PolarHBondContact OH-N 2.66Å
391	I	98.9	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155	164.8	62.6	178.8	0	0	0	110.2	L173 V174 F290 S397 F398 V400	L173-I391 HydrophobicContact CB-CD1 3.99Å; L173-I391 HydrophobicContact CD2-CB 4.1Å; L173-I391 HydrophobicContact CD2-CD1 3.91Å; L173-I391 HydrophobicContact CD2-CG1 3.92Å; L173-I391 HydrophobicContact CG-CD1 4.38Å; V174-I391 WeakPolarHBondContact O-CD1 3.27Å; F290-I391 HydrophobicContact CE1-CG2 3.48Å; F290-I391 VanDerWaalsContact CE1-CG2 3.48Å; F290-I391 HydrophobicContact CZ-CG2 3.92Å; I391-S397 WeakPolarHBondContact O-CA 3.42Å; I391-S397 WeakPolarHBondContact O-CB 3.24Å; I391-S397 PolarHBondContact O-OG 3.22Å; I391-F398 HydrophobicContact CD1-CD2 4.36Å; I391-F398 HydrophobicContact CD1-CE1 4.12Å; I391-F398 HydrophobicContact CD1-CE2 3.6Å; I391-F398 HydrophobicContact CD1-CZ 3.48Å; I391-F398 VanDerWaalsContact CD1-CZ 3.48Å; I391-F398 HydrophobicContact CG1-CD2 4.14Å; I391-F398 HydrophobicContact CG1-CE1 4.37Å; I391-F398 HydrophobicContact CG1-CE2 3.89Å; I391-F398 HydrophobicContact CG1-CZ 4.03Å; I391-F398 PolarHBondContact N-O 3.49Å; I391-F398 VanDerWaalsContact N-O 3.08Å; I391-F398 PolarHBondContact O-N 3.37Å; I391-V400 HydrophobicContact CB-CG2 4.44Å; I391-V400 HydrophobicContact CD1-CG2 4.13Å; I391-V400 HydrophobicContact CG1-CG2 3.88Å; I391-V400 HydrophobicContact CG2-CG2 3.97Å
392	D	98.6	Very high	98.3	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	138.1	-171.1	-171.7	23.2	0	0	0	110.7	S328 Y390 S397 K697 W698 W699	S328-D392 PolarHBondContact OG-N 3.43Å; S328-D392 PolarHBondContact OG-O 2.79Å; Y390-D392 HydrophobicContact CD2-CB 4.1Å; Y390-D392 HydrophobicContact CE2-CB 3.92Å; D392-S397 WeakPolarHBondContact OD1-CB 3.34Å; D392-K697 VanDerWaalsContact CG-NZ 3.29Å; D392-K697 IonicContact OD1-NZ 3.43Å; D392-K697 PolarHBondContact OD1-NZ 3.48Å; D392-K697 WeakPolarHBondContact OD2-CD 3.37Å; D392-K697 IonicContact OD2-NZ 2.87Å; D392-K697 PolarHBondContact OD2-NZ 2.82Å; D392-W698 PolarHBondContact O-NE1 3.47Å; D392-W699 HydrophobicContact CB-CZ3 4.43Å
393	S	98.4	Very high	98.3	Very high	4 Å²	4	12.9 Å²	12.9	3%	0.028	7%	0.072	C	C	.	.			trans	-138.8	171	173.5	81	0	0	0	0	109.8	H395 H396	S393-H395 PolarHBondContact O-N 3.27Å; S393-H395 PolarHBondContact OG-CD2 3.22Å; S393-H395 PolarHBondContact OG-CE1 3.12Å; S393-H395 PolarHBondContact OG-N 3.15Å; S393-H395 PolarHBondContact OG-ND1 3.08Å; S393-H395 VanDerWaalsContact OG-ND1 3.15Å; S393-H395 PolarHBondContact OG-NE2 3.43Å; S393-H396 PolarHBondContact N-O 2.84Å; S393-H396 PolarHBondContact OG-N 3.44Å; S393-H396 PolarHBondContact OG-O 2.75Å; S393-H396 VanDerWaalsContact OG-O 3.05Å
394	P	98.3	Very high	98.4	Very high	34 Å²	34	12.6 Å²	12.6	22%	0.221	7%	0.071	C	C	.	.	S	Bend	trans	-60.7	-25.9	174.6	-27.3	37.6	0	0	0	114.4	R147 I171 W699	R147-P394 HydrophobicContact CB-CG 3.69Å; R147-P394 HydrophobicContact CG-CG 4.44Å; R147-P394 WeakPolarHBondContact O-CB 3.49Å; I171-P394 HydrophobicContact CD1-CG 4.3Å; P394-W699 HydrophobicContact CG-CH2 4.23Å; P394-W699 HydrophobicContact CG-CZ2 4.04Å
395	H	97.1	Very high	98.3	Very high	66 Å²	66	12.2 Å²	12.2	31%	0.306	7%	0.069	S	C	.	.	S	Bend	trans	-103	-25.4	-173.7	52.3	-85.2	0	0	0	113.8	S203 S393	S203-H395 PolarHBondContact OG-CE1 3.37Å; S203-H395 PolarHBondContact OG-NE2 3Å; S393-H395 PolarHBondContact O-N 3.27Å; S393-H395 PolarHBondContact OG-CD2 3.22Å; S393-H395 PolarHBondContact OG-CE1 3.12Å; S393-H395 PolarHBondContact OG-N 3.15Å; S393-H395 PolarHBondContact OG-ND1 3.08Å; S393-H395 VanDerWaalsContact OG-ND1 3.15Å; S393-H395 PolarHBondContact OG-NE2 3.43Å
396	H	97.9	Very high	98.1	Very high	38 Å²	38	14.9 Å²	14.9	18%	0.176	8%	0.079	C	C	.	.			trans	-160	158.7	-176.5	-161.1	35.3	0	0	0	113.2	L173 K200 D201 S393 F398 D422	L173-H396 HydrophobicContact CD1-CB 4.09Å; K200-H396 WeakPolarHBondContact O-CB 3.48Å; D201-H396 IonicContact OD1-CD2 2.84Å; D201-H396 PolarHBondContact OD1-CD2 3.02Å; D201-H396 IonicContact OD1-NE2 3.97Å; D201-H396 PolarHBondContact OD1-NE2 3.38Å; D201-H396 VanDerWaalsContact OD1-NE2 3.11Å; S393-H396 PolarHBondContact N-O 2.84Å; S393-H396 PolarHBondContact OG-N 3.44Å; S393-H396 PolarHBondContact OG-O 2.75Å; S393-H396 VanDerWaalsContact OG-O 3.05Å; H396-F398 AromaticContact CD2-CD1 3.74Å; H396-F398 AromaticContact NE2-CD1 3.79Å; H396-D422 IonicContact CE1-OD1 2.74Å; H396-D422 PolarHBondContact CE1-OD1 3.02Å; H396-D422 IonicContact NE2-OD1 3.77Å; H396-D422 PolarHBondContact NE2-OD1 3.04Å
397	S	98.2	Very high	97.6	Very high	44 Å²	44	18.3 Å²	18.3	31%	0.308	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	137.3	177.9	178.7	0	0	0	0	111.1	I391 D392	I391-S397 WeakPolarHBondContact O-CA 3.42Å; I391-S397 WeakPolarHBondContact O-CB 3.24Å; I391-S397 PolarHBondContact O-OG 3.22Å; D392-S397 WeakPolarHBondContact OD1-CB 3.34Å
398	F	98.8	Very high	97.1	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.1	179.1	54.3	-98.8	0	0	0	112.5	L173 D177 D201 Y390 I391 H396 V400 D422	L173-F398 HydrophobicContact CD1-CD1 4.48Å; L173-F398 HydrophobicContact CD1-CE1 3.92Å; D177-F398 HydrophobicContact CB-CD2 4.49Å; D177-F398 HydrophobicContact CB-CE2 4.09Å; D177-F398 HydrophobicContact CB-CZ 4.44Å; D201-F398 HydrophobicContact CB-CE1 4.27Å; D201-F398 VanDerWaalsContact OD1-CE1 3.24Å; D201-F398 WeakPolarHBondContact OD1-CE1 3.5Å; Y390-F398 WeakPolarHBondContact CA-O 3.49Å; I391-F398 HydrophobicContact CD1-CD2 4.36Å; I391-F398 HydrophobicContact CD1-CE1 4.12Å; I391-F398 HydrophobicContact CD1-CE2 3.6Å; I391-F398 HydrophobicContact CD1-CZ 3.48Å; I391-F398 VanDerWaalsContact CD1-CZ 3.48Å; I391-F398 HydrophobicContact CG1-CD2 4.14Å; I391-F398 HydrophobicContact CG1-CE1 4.37Å; I391-F398 HydrophobicContact CG1-CE2 3.89Å; I391-F398 HydrophobicContact CG1-CZ 4.03Å; I391-F398 PolarHBondContact N-O 3.49Å; I391-F398 VanDerWaalsContact N-O 3.08Å; I391-F398 PolarHBondContact O-N 3.37Å; H396-F398 AromaticContact CD2-CD1 3.74Å; H396-F398 AromaticContact NE2-CD1 3.79Å; F398-V400 HydrophobicContact CD2-CG2 3.94Å; F398-V400 HydrophobicContact CE2-CG2 3.87Å; F398-D422 HydrophobicContact CB-CB 4.11Å; F398-D422 WeakPolarHBondContact CB-O 3.38Å
399	P	98.9	Very high	96.8	Very high	27 Å²	27	24 Å²	24	18%	0.175	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	147.1	173.8	28.4	-36.8	0	0	0	111.8	G389 D422 F423 G424	G389-P399 CarbonylContact O-C 3.56Å; G389-P399 WeakPolarHBondContact O-CA 3.47Å; P399-D422 WeakPolarHBondContact CD-O 3.41Å; P399-F423 HydrophobicContact CB-CD2 4.29Å; P399-F423 HydrophobicContact CB-CE1 4.48Å; P399-F423 HydrophobicContact CB-CE2 4Å; P399-F423 HydrophobicContact CB-CZ 4.07Å; P399-F423 HydrophobicContact CG-CD2 3.53Å; P399-F423 HydrophobicContact CG-CE2 3.65Å; P399-F423 HydrophobicContact CG-CG 4.01Å; P399-F423 HydrophobicContact CG-CZ 4.2Å; P399-F423 CarbonylContact O-C 3.6Å; P399-F423 WeakPolarHBondContact O-CA 3.44Å; P399-G424 PolarHBondContact O-N 3.29Å
400	V	98.9	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	120.8	175.4	-179	0	0	0	0	108.4	F290 W330 G389 I391 F398 G424 V426	F290-V400 HydrophobicContact CZ-CG1 4.12Å; W330-V400 PolarHBondContact NE1-O 3.21Å; G389-V400 CarbonylContact C-O 3.51Å; G389-V400 WeakPolarHBondContact CA-O 3.25Å; G389-V400 PolarHBondContact N-O 3.05Å; G389-V400 PolarHBondContact O-N 2.89Å; I391-V400 HydrophobicContact CB-CG2 4.44Å; I391-V400 HydrophobicContact CD1-CG2 4.13Å; I391-V400 HydrophobicContact CG1-CG2 3.88Å; I391-V400 HydrophobicContact CG2-CG2 3.97Å; F398-V400 HydrophobicContact CD2-CG2 3.94Å; F398-V400 HydrophobicContact CE2-CG2 3.87Å; V400-G424 CarbonylContact C-O 3.43Å; V400-G424 WeakPolarHBondContact CA-O 3.48Å; V400-V426 HydrophobicContact CG1-CB 4.34Å; V400-V426 HydrophobicContact CG1-CG1 3.81Å
401	V	98.8	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127	173.4	62.5	0	0	0	0	109.8	L386 P414 L418 F423 G424 Y425 V426	L386-V401 HydrophobicContact CB-CG2 3.62Å; L386-V401 HydrophobicContact CD1-CG2 3.92Å; L386-V401 HydrophobicContact CG-CG2 4.26Å; V401-P414 HydrophobicContact CG1-CB 4.08Å; V401-P414 HydrophobicContact CG2-CB 4.11Å; V401-L418 HydrophobicContact CB-CD1 4.14Å; V401-L418 HydrophobicContact CG1-CB 4.41Å; V401-L418 HydrophobicContact CG1-CD1 4.25Å; V401-L418 HydrophobicContact CG2-CD1 4Å; V401-F423 HydrophobicContact CB-CE1 4.05Å; V401-F423 HydrophobicContact CG1-CE1 4.26Å; V401-G424 WeakPolarHBondContact CG1-O 3.22Å; V401-G424 PolarHBondContact N-O 2.78Å; V401-Y425 HydrophobicContact CG1-CD2 3.94Å; V401-V426 PolarHBondContact O-N 2.83Å
402	L	98.8	Very high	96.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.1	162	178.1	65.7	0	0	0	107.4	W330 L386 E387 V426 F441 L444 F484 L485	W330-L402 HydrophobicContact CH2-CB 3.93Å; W330-L402 HydrophobicContact CH2-CD2 3.72Å; W330-L402 HydrophobicContact CH2-CG 4.5Å; W330-L402 HydrophobicContact CZ2-CB 3.45Å; W330-L402 VanDerWaalsContact CZ2-CB 3.45Å; W330-L402 HydrophobicContact CZ2-CD2 4.14Å; W330-L402 HydrophobicContact CZ2-CG 4.45Å; W330-L402 HydrophobicContact CZ3-CD2 3.98Å; L386-L402 CarbonylContact C-O 2.85Å; L386-L402 WeakPolarHBondContact CA-O 3.48Å; E387-L402 HydrophobicContact CB-CB 4.48Å; E387-L402 PolarHBondContact N-O 3.4Å; E387-L402 PolarHBondContact O-N 3.06Å; L402-V426 CarbonylContact C-O 3.56Å; L402-V426 WeakPolarHBondContact CA-O 3.32Å; L402-V426 HydrophobicContact CB-CG1 4.24Å; L402-V426 HydrophobicContact CD1-CG1 3.85Å; L402-F441 HydrophobicContact CB-CE2 4.22Å; L402-F441 HydrophobicContact CD2-CE2 3.85Å; L402-F441 HydrophobicContact CD2-CZ 3.68Å; L402-F441 HydrophobicContact CG-CE2 3.63Å; L402-F441 HydrophobicContact CG-CZ 3.76Å; L402-F441 WeakPolarHBondContact O-CE2 3.38Å; L402-L444 HydrophobicContact CD2-CD2 4.07Å; L402-F484 HydrophobicContact CD1-CD1 4.21Å; L402-F484 HydrophobicContact CD1-CE1 3.76Å; L402-F484 HydrophobicContact CD1-CZ 4.48Å; L402-F484 HydrophobicContact CD2-CD1 4.37Å; L402-F484 HydrophobicContact CD2-CE1 4.06Å; L402-L485 HydrophobicContact CD2-CD2 4.3Å
403	D	98.4	Very high	96	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.032	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.6	179.7	178.7	25.4	0	0	0	110.1	P414 Y425 V426 T427	D403-P414 HydrophobicContact CB-CB 4.08Å; D403-P414 HydrophobicContact CB-CG 4.3Å; D403-Y425 HydrophobicContact CB-CD2 4.32Å; D403-Y425 HydrophobicContact CB-CE2 3.48Å; D403-Y425 VanDerWaalsContact CB-CE2 3.48Å; D403-Y425 VanDerWaalsContact OD2-CE2 3.3Å; D403-Y425 WeakPolarHBondContact OD2-CE2 3.32Å; D403-Y425 PolarHBondContact OD2-OH 3.24Å; D403-V426 PolarHBondContact N-O 3.08Å; D403-T427 PolarHBondContact O-OG1 2.82Å
404	S	98	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-75.3	143.4	-173.1	175.2	0	0	0	0	111.1	D384 E385 R406 D439 F441	D384-S404 WeakPolarHBondContact O-CB 3.44Å; E385-S404 VanDerWaalsContact O-CB 3.22Å; E385-S404 WeakPolarHBondContact O-CB 3.33Å; E385-S404 PolarHBondContact O-N 2.92Å; S404-R406 PolarHBondContact O-N 3.46Å; S404-R406 VanDerWaalsContact OG-CB 3.31Å; S404-R406 WeakPolarHBondContact OG-CB 3.34Å; S404-R406 PolarHBondContact OG-N 2.84Å; S404-D439 PolarHBondContact OG-O 3.29Å; S404-F441 VanDerWaalsContact CA-CZ 3.49Å
405	P	95.8	Very high	95.8	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.039	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	6.5	169.9	32.4	-36	0	0	0	113.4	D407 A430 V435 D439 V481	P405-D407 PolarHBondContact O-N 3.41Å; P405-A430 HydrophobicContact CB-CB 4.15Å; P405-V435 HydrophobicContact CB-CG2 4.19Å; P405-V435 WeakPolarHBondContact O-CG1 3.3Å; P405-D439 HydrophobicContact CG-CB 4.09Å; P405-V481 HydrophobicContact CG-CG2 3.83Å
406	R	92.8	Very high	95.7	Very high	55 Å²	55	31.1 Å²	31.1	21%	0.208	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-40.4	170.7	175.6	177	177.7	-86	3.2	111.3	D379 E385 S404 G408	D379-R406 IonicContact OD1-NH2 3.83Å; D379-R406 PolarHBondContact OD1-NH2 3.02Å; D379-R406 IonicContact OD2-CZ 3.64Å; D379-R406 VanDerWaalsContact OD2-CZ 3.31Å; D379-R406 IonicContact OD2-NH1 2.62Å; D379-R406 PolarHBondContact OD2-NH1 3.42Å; D379-R406 IonicContact OD2-NH2 2.9Å; D379-R406 PolarHBondContact OD2-NH2 2.99Å; E385-R406 WeakPolarHBondContact OE2-CD 3.44Å; E385-R406 IonicContact OE2-CZ 3.15Å; E385-R406 IonicContact OE2-NE 2.72Å; E385-R406 IonicContact OE2-NH1 2.74Å; E385-R406 PolarHBondContact OE2-NH1 2.67Å; S404-R406 PolarHBondContact O-N 3.46Å; S404-R406 VanDerWaalsContact OG-CB 3.31Å; S404-R406 WeakPolarHBondContact OG-CB 3.34Å; S404-R406 PolarHBondContact OG-N 2.84Å; R406-G408 VanDerWaalsContact C-N 3.28Å; R406-G408 PolarHBondContact O-N 2.94Å
407	D	87.9	Confident	95.6	Very high	74 Å²	74	32.1 Å²	32.1	40%	0.396	17%	0.167	S	C	.	.			trans	45.2	51.4	-179	-67.5	-8.6	0	0	0	111.6	E385 P405	E385-D407 WeakPolarHBondContact OE1-CA 3.18Å; E385-D407 PolarHBondContact OE1-N 3.06Å; P405-D407 PolarHBondContact O-N 3.41Å
408	G	87.3	Confident	95.6	Very high	19 Å²	19	30.7 Å²	30.7	20%	0.196	16%	0.156	C	C	.	.			trans	-77.1	-150.4	179.9	0	0	0	0	0	112.3	E385 R406 L410 D411	E385-G408 PolarHBondContact OE1-N 3.05Å; E385-G408 PolarHBondContact OE2-N 3.46Å; R406-G408 VanDerWaalsContact C-N 3.28Å; R406-G408 PolarHBondContact O-N 2.94Å; G408-L410 PolarHBondContact O-N 3.11Å; G408-D411 VanDerWaalsContact O-CG 3.3Å
409	H	93.6	Very high	95.5	Very high	115 Å²	115	30.6 Å²	30.6	53%	0.532	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	1.4	173.1	-57.4	-57.3	0	0	0	113.6	R377 D379	R377-H409 HydrophobicContact CB-CB 3.98Å; R377-H409 VanDerWaalsContact CZ-O 3.23Å; R377-H409 PolarHBondContact NE-O 2.89Å; R377-H409 PolarHBondContact NH2-O 3.36Å; D379-H409 HydrophobicContact CB-CB 3.74Å; D379-H409 PolarHBondContact OD2-N 3.42Å
410	L	94.4	Very high	95.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	3.7	169.9	-80	166.6	0	0	0	113	N376 D379 M382 E385 G408 D412 F413 P414	N376-L410 HydrophobicContact CB-CD2 3.61Å; N376-L410 HydrophobicContact CB-CG 4.32Å; D379-L410 HydrophobicContact CB-CD1 4.32Å; D379-L410 HydrophobicContact CB-CG 4.06Å; M382-L410 HydrophobicContact CE-CD2 4.15Å; E385-L410 HydrophobicContact CB-CB 3.89Å; E385-L410 HydrophobicContact CB-CD1 4.49Å; E385-L410 HydrophobicContact CG-CB 3.7Å; G408-L410 PolarHBondContact O-N 3.11Å; L410-D412 PolarHBondContact O-N 3.19Å; L410-D412 VanDerWaalsContact O-N 3.11Å; L410-F413 HydrophobicContact CD2-CB 3.99Å; L410-F413 HydrophobicContact CD2-CG 4.31Å; L410-F413 VanDerWaalsContact O-CB 3.22Å; L410-F413 WeakPolarHBondContact O-CB 3.25Å; L410-F413 PolarHBondContact O-N 3.04Å; L410-P414 VanDerWaalsContact O-CD 3.29Å; L410-P414 WeakPolarHBondContact O-CD 3.25Å
411	D	92.1	Very high	95.4	Very high	56 Å²	56	32.7 Å²	32.7	30%	0.299	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-39.1	-176.5	58.7	-27	0	0	0	114.3	R377 E385 G408	R377-D411 IonicContact CZ-OD1 3.84Å; R377-D411 IonicContact NH2-OD1 3.45Å; R377-D411 PolarHBondContact NH2-OD1 2.72Å; E385-D411 WeakPolarHBondContact OE1-CA 3.3Å; E385-D411 PolarHBondContact OE1-N 2.64Å; G408-D411 VanDerWaalsContact O-CG 3.3Å
412	D	94.6	Very high	95.3	Very high	62 Å²	62	36 Å²	36	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-77.5	-19.7	177.8	-59	-46.7	0	0	0	113.4	M375 R377 L410 Y415 D416	M375-D412 HydrophobicContact SD-CB 4.23Å; R377-D412 IonicContact CZ-OD2 2.72Å; R377-D412 VanDerWaalsContact CZ-OD2 3.27Å; R377-D412 IonicContact NH1-OD2 3.93Å; R377-D412 PolarHBondContact NH1-OD2 3Å; R377-D412 IonicContact NH2-OD2 3.52Å; R377-D412 PolarHBondContact NH2-OD2 3.03Å; L410-D412 PolarHBondContact O-N 3.19Å; L410-D412 VanDerWaalsContact O-N 3.11Å; D412-Y415 PolarHBondContact O-N 3.16Å; D412-D416 VanDerWaalsContact O-CB 3.31Å; D412-D416 WeakPolarHBondContact O-CB 3.04Å; D412-D416 PolarHBondContact O-N 3.29Å
413	F	97.1	Very high	95.3	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-49.1	-170.4	177.3	-90.7	0	0	0	113	F343 C371 M375 M382 L386 L410 Y415 E417 L418	F343-F413 HydrophobicContact CD1-CE1 4.47Å; F343-F413 HydrophobicContact CD1-CZ 4.09Å; C371-F413 HydrophobicContact CB-CD2 4.12Å; C371-F413 HydrophobicContact CB-CE2 3.73Å; C371-F413 HydrophobicContact CB-CZ 4.47Å; C371-F413 WeakPolarHBondContact SG-CD2 3.36Å; M375-F413 HydrophobicContact CG-CB 4.3Å; M375-F413 HydrophobicContact CG-CD2 3.82Å; M375-F413 HydrophobicContact SD-CB 4.38Å; M382-F413 HydrophobicContact CE-CD1 4.2Å; M382-F413 HydrophobicContact CE-CD2 4.48Å; M382-F413 HydrophobicContact CE-CE1 3.88Å; M382-F413 HydrophobicContact CE-CE2 4.18Å; M382-F413 HydrophobicContact CE-CG 4.5Å; M382-F413 HydrophobicContact CE-CZ 3.87Å; M382-F413 HydrophobicContact SD-CD1 4.06Å; M382-F413 HydrophobicContact SD-CE1 3.65Å; M382-F413 HydrophobicContact SD-CZ 4.15Å; L386-F413 HydrophobicContact CD2-CD1 3.58Å; L386-F413 HydrophobicContact CD2-CE1 3.76Å; L410-F413 HydrophobicContact CD2-CB 3.99Å; L410-F413 HydrophobicContact CD2-CG 4.31Å; L410-F413 VanDerWaalsContact O-CB 3.22Å; L410-F413 WeakPolarHBondContact O-CB 3.25Å; L410-F413 PolarHBondContact O-N 3.04Å; F413-Y415 VanDerWaalsContact C-N 3.27Å; F413-Y415 PolarHBondContact O-N 2.88Å; F413-E417 HydrophobicContact CD2-CB 3.71Å; F413-E417 HydrophobicContact CD2-CG 3.73Å; F413-E417 HydrophobicContact CE2-CB 3.74Å; F413-E417 HydrophobicContact CE2-CG 3.96Å; F413-E417 HydrophobicContact CG-CB 4.26Å; F413-E417 HydrophobicContact CZ-CB 4.3Å; F413-E417 VanDerWaalsContact O-CB 3.25Å; F413-E417 WeakPolarHBondContact O-CB 3.35Å; F413-E417 PolarHBondContact O-N 2.69Å; F413-L418 HydrophobicContact CD1-CD1 4.38Å; F413-L418 HydrophobicContact CD1-CG 4.42Å; F413-L418 HydrophobicContact CE1-CD1 3.97Å; F413-L418 HydrophobicContact CE1-CD2 4.08Å; F413-L418 HydrophobicContact CE1-CG 3.95Å; F413-L418 HydrophobicContact CZ-CD2 4.26Å
414	P	96.8	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-58.2	-40.5	178.9	-26.4	37.9	0	0	0	112.7	E385 L386 V401 D403 L410 L418 L419 Y425	E385-P414 HydrophobicContact CG-CG 4.4Å; L386-P414 HydrophobicContact CB-CG 3.95Å; L386-P414 HydrophobicContact CD2-CG 3.95Å; V401-P414 HydrophobicContact CG1-CB 4.08Å; V401-P414 HydrophobicContact CG2-CB 4.11Å; D403-P414 HydrophobicContact CB-CB 4.08Å; D403-P414 HydrophobicContact CB-CG 4.3Å; L410-P414 VanDerWaalsContact O-CD 3.29Å; L410-P414 WeakPolarHBondContact O-CD 3.25Å; P414-L418 VanDerWaalsContact O-CB 3.31Å; P414-L418 WeakPolarHBondContact O-CB 3.21Å; P414-L418 PolarHBondContact O-N 3.01Å; P414-L419 PolarHBondContact O-N 3.23Å; P414-Y425 HydrophobicContact CB-CD2 4.16Å; P414-Y425 HydrophobicContact CB-CE2 3.97Å
415	Y	96.2	Very high	95.3	Very high	64 Å²	64	38.6 Å²	38.6	25%	0.251	20%	0.198	S	C	.	.	I	π-helix	trans	-79.3	-47.2	-178	-165.8	-85.3	0	0	0	113	K184 S185 P186 D412 F413 L419 Y425	K184-Y415 PolarHBondContact O-OH 2.88Å; S185-Y415 VanDerWaalsContact CA-OH 3.31Å; S185-Y415 WeakPolarHBondContact CA-OH 3.45Å; P186-Y415 HydrophobicContact CG-CE2 4.42Å; D412-Y415 PolarHBondContact O-N 3.16Å; F413-Y415 VanDerWaalsContact C-N 3.27Å; F413-Y415 PolarHBondContact O-N 2.88Å; Y415-L419 HydrophobicContact CD1-CD2 4.48Å; Y415-L419 HydrophobicContact CD2-CD2 3.97Å; Y415-L419 HydrophobicContact CE1-CD2 4.22Å; Y415-L419 HydrophobicContact CE2-CD2 3.71Å; Y415-L419 HydrophobicContact CG-CD2 4.36Å; Y415-L419 WeakPolarHBondContact O-CB 3.38Å; Y415-Y425 AromaticContact CD2-CD1 3.97Å; Y415-Y425 HydrophobicContact CD2-CD1 3.97Å; Y415-Y425 HydrophobicContact CD2-CD2 4.24Å; Y415-Y425 AromaticContact CD2-CE1 3.88Å; Y415-Y425 HydrophobicContact CD2-CE1 3.88Å; Y415-Y425 HydrophobicContact CD2-CE2 4.15Å; Y415-Y425 HydrophobicContact CD2-CG 4.16Å; Y415-Y425 AromaticContact CD2-CZ 3.98Å; Y415-Y425 HydrophobicContact CE2-CD1 4.41Å; Y415-Y425 HydrophobicContact CE2-CE1 4.44Å
416	D	95.1	Very high	95.5	Very high	80 Å²	80	38.9 Å²	38.9	43%	0.428	20%	0.2	S	C	.	.	I	π-helix	trans	-77.7	-40	-174	-76	-9.2	0	0	0	112.4	K184 M375 D412	K184-D416 PolarHBondContact NZ-O 2.69Å; M375-D416 HydrophobicContact CE-CB 4.09Å; D412-D416 VanDerWaalsContact O-CB 3.31Å; D412-D416 WeakPolarHBondContact O-CB 3.04Å; D412-D416 PolarHBondContact O-N 3.29Å
417	E	95.6	Very high	95.7	Very high	59 Å²	59	38 Å²	38	28%	0.276	20%	0.201	S	C	.	.	I	π-helix	trans	-100.5	-25.6	-167.8	-72.9	-73.8	163	0	0	114.5	K369 Y374 M375 F413	K369-E417 PolarHBondContact NZ-O 2.78Å; K369-E417 IonicContact NZ-OE2 3.74Å; K369-E417 PolarHBondContact NZ-OE2 2.69Å; Y374-E417 PolarHBondContact OH-OE1 2.91Å; M375-E417 HydrophobicContact CE-CG 3.86Å; M375-E417 HydrophobicContact CG-CG 4.09Å; M375-E417 HydrophobicContact SD-CG 4.28Å; F413-E417 HydrophobicContact CD2-CB 3.71Å; F413-E417 HydrophobicContact CD2-CG 3.73Å; F413-E417 HydrophobicContact CE2-CB 3.74Å; F413-E417 HydrophobicContact CE2-CG 3.96Å; F413-E417 HydrophobicContact CG-CB 4.26Å; F413-E417 HydrophobicContact CZ-CB 4.3Å; F413-E417 VanDerWaalsContact O-CB 3.25Å; F413-E417 WeakPolarHBondContact O-CB 3.35Å; F413-E417 PolarHBondContact O-N 2.69Å
418	L	97.1	Very high	96.2	Very high	15 Å²	15	36 Å²	36	8%	0.079	19%	0.188	C	C	.	.	I	π-helix	trans	-105.2	-45.9	-179.1	-55.2	178.2	0	0	0	112.9	F343 L386 F388 V401 F413 P414 G420 F423	F343-L418 HydrophobicContact CD1-CD2 4.45Å; F343-L418 HydrophobicContact CE1-CD2 3.66Å; F343-L418 HydrophobicContact CZ-CD2 4.25Å; L386-L418 HydrophobicContact CD1-CD1 4.39Å; L386-L418 HydrophobicContact CD2-CD1 4.12Å; F388-L418 HydrophobicContact CE1-CD1 3.66Å; F388-L418 HydrophobicContact CE1-CD2 4.43Å; F388-L418 HydrophobicContact CZ-CD1 4.03Å; V401-L418 HydrophobicContact CB-CD1 4.14Å; V401-L418 HydrophobicContact CG1-CB 4.41Å; V401-L418 HydrophobicContact CG1-CD1 4.25Å; V401-L418 HydrophobicContact CG2-CD1 4Å; F413-L418 HydrophobicContact CD1-CD1 4.38Å; F413-L418 HydrophobicContact CD1-CG 4.42Å; F413-L418 HydrophobicContact CE1-CD1 3.97Å; F413-L418 HydrophobicContact CE1-CD2 4.08Å; F413-L418 HydrophobicContact CE1-CG 3.95Å; F413-L418 HydrophobicContact CZ-CD2 4.26Å; P414-L418 VanDerWaalsContact O-CB 3.31Å; P414-L418 WeakPolarHBondContact O-CB 3.21Å; P414-L418 PolarHBondContact O-N 3.01Å; L418-G420 PolarHBondContact O-N 2.77Å; L418-F423 HydrophobicContact CB-CD1 4.04Å; L418-F423 HydrophobicContact CB-CE1 3.86Å; L418-F423 HydrophobicContact CB-CZ 4.4Å; L418-F423 HydrophobicContact CD1-CE1 4.38Å; L418-F423 WeakPolarHBondContact O-CB 3.42Å; L418-F423 WeakPolarHBondContact O-CG 3.32Å
419	L	98	Very high	96.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.213	C	C	.	.			trans	-54	127.4	177.9	180	60.3	0	0	0	110.9	C176 A178 K184 P186 P414 Y415	C176-L419 WeakPolarHBondContact O-CD1 3.34Å; A178-L419 HydrophobicContact CB-CD1 3.71Å; A178-L419 HydrophobicContact CB-CD2 4.17Å; A178-L419 HydrophobicContact CB-CG 3.66Å; K184-L419 WeakPolarHBondContact CD-O 3.33Å; K184-L419 PolarHBondContact NZ-O 3.12Å; P186-L419 HydrophobicContact CG-CD1 4.49Å; P186-L419 HydrophobicContact CG-CD2 4.05Å; P414-L419 PolarHBondContact O-N 3.23Å; Y415-L419 HydrophobicContact CD1-CD2 4.48Å; Y415-L419 HydrophobicContact CD2-CD2 3.97Å; Y415-L419 HydrophobicContact CE1-CD2 4.22Å; Y415-L419 HydrophobicContact CE2-CD2 3.71Å; Y415-L419 HydrophobicContact CG-CD2 4.36Å; Y415-L419 WeakPolarHBondContact O-CB 3.38Å
420	G	97.3	Very high	96.3	Very high	7 Å²	7	36.4 Å²	36.4	7%	0.072	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	175.3	-170	-178.1	0	0	0	0	0	111.2	D177 A178 L418 D422 F423	D177-G420 WeakPolarHBondContact CB-O 3.46Å; A178-G420 PolarHBondContact N-O 3.11Å; A178-G420 VanDerWaalsContact N-O 3.14Å; A178-G420 CarbonylContact O-C 3.56Å; A178-G420 WeakPolarHBondContact O-CA 3.37Å; L418-G420 PolarHBondContact O-N 2.77Å; G420-D422 PolarHBondContact O-N 3.09Å; G420-F423 PolarHBondContact N-O 2.79Å; G420-F423 PolarHBondContact O-N 3.21Å; G420-F423 VanDerWaalsContact O-N 3.08Å; G420-F423 VanDerWaalsContact O-O 3.09Å
421	P	97.1	Very high	95.9	Very high	65 Å²	65	45 Å²	45	42%	0.422	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	131.2	-178.2	-22.6	33.2	0	0	0	111.5	A178 I181 F423	A178-P421 VanDerWaalsContact O-CD 3.22Å; A178-P421 WeakPolarHBondContact O-CD 3.44Å; A178-P421 VanDerWaalsContact O-N 3.07Å; I181-P421 HydrophobicContact CG2-CG 4.47Å; P421-F423 PolarHBondContact O-N 2.94Å
422	D	97.5	Very high	95.7	Very high	68 Å²	68	52 Å²	52	36%	0.364	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	32.6	-174.8	-65.4	-37.5	0	0	0	112.7	D177 H396 F398 P399 G420	D177-D422 PolarHBondContact OD2-N 2.98Å; H396-D422 IonicContact CE1-OD1 2.74Å; H396-D422 PolarHBondContact CE1-OD1 3.02Å; H396-D422 IonicContact NE2-OD1 3.77Å; H396-D422 PolarHBondContact NE2-OD1 3.04Å; F398-D422 HydrophobicContact CB-CB 4.11Å; F398-D422 WeakPolarHBondContact CB-O 3.38Å; P399-D422 WeakPolarHBondContact CD-O 3.41Å; G420-D422 PolarHBondContact O-N 3.09Å
423	F	98.5	Very high	95.3	Very high	26 Å²	26	57 Å²	57	11%	0.114	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-146.1	99.4	172.4	-151.2	-61.9	0	0	0	110.9	F388 P399 V401 L418 G420 P421	F388-F423 HydrophobicContact CD1-CE1 4.42Å; F388-F423 AromaticContact CD1-CZ 3.78Å; F388-F423 HydrophobicContact CD1-CZ 3.78Å; F388-F423 HydrophobicContact CE1-CE1 4.31Å; F388-F423 AromaticContact CE1-CZ 3.62Å; F388-F423 HydrophobicContact CE1-CZ 3.62Å; P399-F423 HydrophobicContact CB-CD2 4.29Å; P399-F423 HydrophobicContact CB-CE1 4.48Å; P399-F423 HydrophobicContact CB-CE2 4Å; P399-F423 HydrophobicContact CB-CZ 4.07Å; P399-F423 HydrophobicContact CG-CD2 3.53Å; P399-F423 HydrophobicContact CG-CE2 3.65Å; P399-F423 HydrophobicContact CG-CG 4.01Å; P399-F423 HydrophobicContact CG-CZ 4.2Å; P399-F423 CarbonylContact O-C 3.6Å; P399-F423 WeakPolarHBondContact O-CA 3.44Å; V401-F423 HydrophobicContact CB-CE1 4.05Å; V401-F423 HydrophobicContact CG1-CE1 4.26Å; L418-F423 HydrophobicContact CB-CD1 4.04Å; L418-F423 HydrophobicContact CB-CE1 3.86Å; L418-F423 HydrophobicContact CB-CZ 4.4Å; L418-F423 HydrophobicContact CD1-CE1 4.38Å; L418-F423 WeakPolarHBondContact O-CB 3.42Å; L418-F423 WeakPolarHBondContact O-CG 3.32Å; G420-F423 PolarHBondContact N-O 2.79Å; G420-F423 PolarHBondContact O-N 3.21Å; G420-F423 VanDerWaalsContact O-N 3.08Å; G420-F423 VanDerWaalsContact O-O 3.09Å; P421-F423 PolarHBondContact O-N 2.94Å
424	G	98.6	Very high	95	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	161.5	-175.3	0	0	0	0	0	114.6	C176 P399 V400 V401	C176-G424 CarbonylContact O-C 3.57Å; C176-G424 VanDerWaalsContact O-CA 3.23Å; C176-G424 WeakPolarHBondContact O-CA 3.38Å; P399-G424 PolarHBondContact O-N 3.29Å; V400-G424 CarbonylContact C-O 3.43Å; V400-G424 WeakPolarHBondContact CA-O 3.48Å; V401-G424 WeakPolarHBondContact CG1-O 3.22Å; V401-G424 PolarHBondContact N-O 2.78Å
425	Y	98.7	Very high	94.8	Very high	38 Å²	38	62.9 Å²	62.9	15%	0.149	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.5	176	171.9	-89.9	0	0	0	110.7	C176 V401 D403 P414 Y415 T427	C176-Y425 WeakPolarHBondContact CB-O 3.5Å; C176-Y425 PolarHBondContact O-N 2.81Å; V401-Y425 HydrophobicContact CG1-CD2 3.94Å; D403-Y425 HydrophobicContact CB-CD2 4.32Å; D403-Y425 HydrophobicContact CB-CE2 3.48Å; D403-Y425 VanDerWaalsContact CB-CE2 3.48Å; D403-Y425 VanDerWaalsContact OD2-CE2 3.3Å; D403-Y425 WeakPolarHBondContact OD2-CE2 3.32Å; D403-Y425 PolarHBondContact OD2-OH 3.24Å; P414-Y425 HydrophobicContact CB-CD2 4.16Å; P414-Y425 HydrophobicContact CB-CE2 3.97Å; Y415-Y425 AromaticContact CD2-CD1 3.97Å; Y415-Y425 HydrophobicContact CD2-CD1 3.97Å; Y415-Y425 HydrophobicContact CD2-CD2 4.24Å; Y415-Y425 AromaticContact CD2-CE1 3.88Å; Y415-Y425 HydrophobicContact CD2-CE1 3.88Å; Y415-Y425 HydrophobicContact CD2-CE2 4.15Å; Y415-Y425 HydrophobicContact CD2-CG 4.16Å; Y415-Y425 AromaticContact CD2-CZ 3.98Å; Y415-Y425 HydrophobicContact CE2-CD1 4.41Å; Y415-Y425 HydrophobicContact CE2-CE1 4.44Å; Y425-T427 HydrophobicContact CE1-CG2 3.98Å; Y425-T427 WeakPolarHBondContact OH-CB 3.34Å; Y425-T427 WeakPolarHBondContact OH-CG2 3.42Å
426	V	98.6	Very high	94.7	Very high	11 Å²	11	61.4 Å²	61.4	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	143.6	170.5	63.4	0	0	0	0	109.9	F290 V400 V401 L402 D403 F484	F290-V426 HydrophobicContact CD2-CB 4.27Å; F290-V426 HydrophobicContact CD2-CG2 3.76Å; F290-V426 HydrophobicContact CE2-CB 3.87Å; F290-V426 HydrophobicContact CE2-CG1 4.31Å; F290-V426 HydrophobicContact CE2-CG2 3.89Å; V400-V426 HydrophobicContact CG1-CB 4.34Å; V400-V426 HydrophobicContact CG1-CG1 3.81Å; V401-V426 PolarHBondContact O-N 2.83Å; L402-V426 CarbonylContact C-O 3.56Å; L402-V426 WeakPolarHBondContact CA-O 3.32Å; L402-V426 HydrophobicContact CB-CG1 4.24Å; L402-V426 HydrophobicContact CD1-CG1 3.85Å; D403-V426 PolarHBondContact N-O 3.08Å; V426-F484 HydrophobicContact CG1-CZ 4.46Å; V426-F484 HydrophobicContact CG2-CZ 4.41Å
427	T	98.1	Very high	94.7	Very high	37 Å²	37	59.6 Å²	59.6	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	166.1	174.3	-174.8	0	0	0	0	110.9	D403 Y425 V429	D403-T427 PolarHBondContact O-OG1 2.82Å; Y425-T427 HydrophobicContact CE1-CG2 3.98Å; Y425-T427 WeakPolarHBondContact OH-CB 3.34Å; Y425-T427 WeakPolarHBondContact OH-CG2 3.42Å; T427-V429 HydrophobicContact CG2-CG2 4.44Å
428	R	97.4	Very high	94.8	Very high	33 Å²	33	56.8 Å²	56.8	13%	0.125	28%	0.282	C	S	.	.			trans	-130.8	109.5	169	-74.7	-61.1	178.3	-78.2	5.1	110.4	D292 A430 V480 V481 F484	D292-R428 IonicContact OD2-CZ 3.78Å; D292-R428 IonicContact OD2-NE 3.71Å; D292-R428 PolarHBondContact OD2-NE 3.15Å; D292-R428 IonicContact OD2-NH2 3.19Å; D292-R428 PolarHBondContact OD2-NH2 3.27Å; R428-A430 PolarHBondContact O-N 2.96Å; R428-V480 HydrophobicContact CB-CG1 4.15Å; R428-V480 HydrophobicContact CB-CG2 4.02Å; R428-V480 HydrophobicContact CG-CG2 4.38Å; R428-V481 HydrophobicContact CB-CG2 4.19Å; R428-F484 HydrophobicContact CG-CB 3.88Å; R428-F484 HydrophobicContact CG-CD1 4.48Å; R428-F484 HydrophobicContact CG-CG 4.09Å; R428-F484 VanDerWaalsContact NH2-CE2 3.32Å
429	V	92.4	Very high	94.9	Very high	121 Å²	121	56.1 Å²	56.1	73%	0.733	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-77.7	118.3	-175.8	-174.9	0	0	0	0	111	T427	T427-V429 HydrophobicContact CG2-CG2 4.44Å
430	A	91.2	Very high	94.9	Very high	21 Å²	21	56.4 Å²	56.4	17%	0.174	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-98.3	163.5	169.2	0	0	0	0	0	111.1	P405 R428 R432 V435 T478 V480	P405-A430 HydrophobicContact CB-CB 4.15Å; R428-A430 PolarHBondContact O-N 2.96Å; A430-R432 PolarHBondContact O-N 3.05Å; A430-V435 HydrophobicContact CB-CG2 3.78Å; A430-T478 HydrophobicContact CB-CG2 3.7Å; A430-V480 HydrophobicContact CB-CG1 3.95Å
431	R	86.7	Confident	95	Very high	180 Å²	180	56.1 Å²	56.1	68%	0.679	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-72.4	129.6	168.4	-63.4	175.4	175	172	-2.3	107.6	K433 D434 V435	R431-K433 HydrophobicContact CB-CG 4.38Å; R431-K433 PolarHBondContact O-N 3.2Å; R431-D434 WeakPolarHBondContact CB-OD2 3.47Å; R431-D434 WeakPolarHBondContact O-CA 3.43Å; R431-D434 WeakPolarHBondContact O-CB 3.34Å; R431-D434 PolarHBondContact O-N 2.91Å; R431-V435 PolarHBondContact O-N 3.06Å
432	R	86.3	Confident	95	Very high	204 Å²	204	53 Å²	53	77%	0.77	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-47.1	-36.6	-177	-72.8	-169.7	171.7	178.8	-3.9	115.6	A430 D434 V435	A430-R432 PolarHBondContact O-N 3.05Å; R432-D434 PolarHBondContact O-N 3.06Å; R432-V435 PolarHBondContact O-N 3.39Å
433	K	87.5	Confident	95.1	Very high	167 Å²	167	49.8 Å²	49.8	73%	0.726	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-70.4	-17.4	178.7	65.6	167.3	-166.3	169	0	114.7	R431	R431-K433 HydrophobicContact CB-CG 4.38Å; R431-K433 PolarHBondContact O-N 3.2Å
434	D	89.8	Confident	95.1	Very high	86 Å²	86	48.5 Å²	48.5	46%	0.46	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-97.6	-12.7	-178.3	-57.4	-27.7	0	0	0	110.8	R431 R432 T478	R431-D434 WeakPolarHBondContact CB-OD2 3.47Å; R431-D434 WeakPolarHBondContact O-CA 3.43Å; R431-D434 WeakPolarHBondContact O-CB 3.34Å; R431-D434 PolarHBondContact O-N 2.91Å; R432-D434 PolarHBondContact O-N 3.06Å; D434-T478 HydrophobicContact CB-CG2 4.47Å; D434-T478 VanDerWaalsContact O-CG2 3.25Å; D434-T478 WeakPolarHBondContact O-CG2 3.19Å
435	V	93.6	Very high	95.1	Very high	38 Å²	38	49 Å²	49	23%	0.23	24%	0.237	C	C	.	.			trans	-75.4	134.7	175.8	179.5	0	0	0	0	109.5	P405 A430 R431 R432 D439 T478	P405-V435 HydrophobicContact CB-CG2 4.19Å; P405-V435 WeakPolarHBondContact O-CG1 3.3Å; A430-V435 HydrophobicContact CB-CG2 3.78Å; R431-V435 PolarHBondContact O-N 3.06Å; R432-V435 PolarHBondContact O-N 3.39Å; V435-D439 WeakPolarHBondContact CA-OD2 3.48Å; V435-D439 HydrophobicContact CG1-CB 4.01Å; V435-T478 HydrophobicContact CG2-CG2 4.42Å
436	S	93.9	Very high	95.1	Very high	32 Å²	32	47.3 Å²	47.3	22%	0.224	23%	0.23	C	C	.	.			trans	-132.2	176.4	178.8	73.2	0	0	0	0	111.3	L438 D439	S436-L438 PolarHBondContact O-N 3.33Å; S436-L438 VanDerWaalsContact O-N 3.11Å; S436-L438 PolarHBondContact OG-N 2.82Å; S436-D439 PolarHBondContact N-OD2 2.69Å; S436-D439 WeakPolarHBondContact O-CB 3.37Å; S436-D439 PolarHBondContact O-N 2.85Å; S436-D439 PolarHBondContact OG-OD2 3.36Å
437	S	95.8	Very high	95.1	Very high	43 Å²	43	46.8 Å²	46.8	30%	0.301	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-54	-32	174.3	-168.2	0	0	0	0	112.8	D439 S440 V503 H505	S437-D439 PolarHBondContact O-N 3.08Å; S437-S440 VanDerWaalsContact O-CB 3.3Å; S437-S440 WeakPolarHBondContact O-CB 3.13Å; S437-S440 PolarHBondContact O-N 3.3Å; S437-S440 VanDerWaalsContact O-N 3.11Å; S437-S440 PolarHBondContact O-OG 2.69Å; S437-V503 WeakPolarHBondContact CB-O 3.36Å; S437-V503 PolarHBondContact OG-O 3.28Å; S437-H505 PolarHBondContact O-NE2 3.3Å; S437-H505 PolarHBondContact OG-NE2 2.78Å
438	L	97.4	Very high	95.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-70.7	-6.6	179.6	-85	68.5	0	0	0	114.3	S436 N443 R475 G504	S436-L438 PolarHBondContact O-N 3.33Å; S436-L438 VanDerWaalsContact O-N 3.11Å; S436-L438 PolarHBondContact OG-N 2.82Å; L438-N443 PolarHBondContact O-ND2 2.85Å; L438-R475 HydrophobicContact CD1-CB 3.75Å; L438-R475 HydrophobicContact CD2-CB 3.97Å; L438-R475 WeakPolarHBondContact CD2-O 3.49Å; L438-R475 HydrophobicContact CG-CB 4.39Å; L438-G504 WeakPolarHBondContact CG-O 3.41Å
439	D	98.1	Very high	95.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-84.9	-14.1	171.5	-70.3	-80.3	0	0	0	113.2	S404 P405 V435 S436 S437 F441 T478	S404-D439 PolarHBondContact OG-O 3.29Å; P405-D439 HydrophobicContact CG-CB 4.09Å; V435-D439 WeakPolarHBondContact CA-OD2 3.48Å; V435-D439 HydrophobicContact CG1-CB 4.01Å; S436-D439 PolarHBondContact N-OD2 2.69Å; S436-D439 WeakPolarHBondContact O-CB 3.37Å; S436-D439 PolarHBondContact O-N 2.85Å; S436-D439 PolarHBondContact OG-OD2 3.36Å; S437-D439 PolarHBondContact O-N 3.08Å; D439-F441 WeakPolarHBondContact O-CD1 3.5Å; D439-F441 WeakPolarHBondContact O-CE1 3.47Å; D439-T478 WeakPolarHBondContact OD1-CA 3.29Å; D439-T478 WeakPolarHBondContact OD1-CB 3.31Å; D439-T478 WeakPolarHBondContact OD1-CG2 3.29Å; D439-T478 PolarHBondContact OD1-N 2.78Å; D439-T478 PolarHBondContact OD1-OG1 2.87Å; D439-T478 WeakPolarHBondContact OD2-CG2 3.47Å
440	S	98.3	Very high	95.5	Very high	8 Å²	8	40.7 Å²	40.7	6%	0.056	20%	0.195	C	C	.	.	S	Bend	trans	-67.7	144.5	172.9	-48.3	0	0	0	0	110.2	D384 S437 G442 N443 H505	D384-S440 WeakPolarHBondContact O-CA 3.32Å; S437-S440 VanDerWaalsContact O-CB 3.3Å; S437-S440 WeakPolarHBondContact O-CB 3.13Å; S437-S440 PolarHBondContact O-N 3.3Å; S437-S440 VanDerWaalsContact O-N 3.11Å; S437-S440 PolarHBondContact O-OG 2.69Å; S440-G442 PolarHBondContact O-N 2.94Å; S440-N443 WeakPolarHBondContact O-CB 3.49Å; S440-N443 PolarHBondContact O-N 2.94Å; S440-H505 VanDerWaalsContact CB-CE1 3.43Å; S440-H505 WeakPolarHBondContact CB-CE1 3.48Å
441	F	98.6	Very high	95.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-84.2	1.7	-171.8	-66.8	-16.7	0	0	0	116.2	Q383 D384 E387 L402 S404 D439 N443 L444 V481	Q383-F441 CarbonylContact O-C 3.51Å; Q383-F441 WeakPolarHBondContact O-CB 3.16Å; D384-F441 PolarHBondContact O-N 2.77Å; E387-F441 HydrophobicContact CB-CB 4.3Å; E387-F441 HydrophobicContact CB-CD2 3.59Å; E387-F441 HydrophobicContact CB-CE2 4.19Å; E387-F441 HydrophobicContact CB-CG 4.18Å; L402-F441 HydrophobicContact CB-CE2 4.22Å; L402-F441 HydrophobicContact CD2-CE2 3.85Å; L402-F441 HydrophobicContact CD2-CZ 3.68Å; L402-F441 HydrophobicContact CG-CE2 3.63Å; L402-F441 HydrophobicContact CG-CZ 3.76Å; L402-F441 WeakPolarHBondContact O-CE2 3.38Å; S404-F441 VanDerWaalsContact CA-CZ 3.49Å; D439-F441 WeakPolarHBondContact O-CD1 3.5Å; D439-F441 WeakPolarHBondContact O-CE1 3.47Å; F441-N443 PolarHBondContact O-N 3.2Å; F441-L444 HydrophobicContact CB-CB 4.17Å; F441-L444 HydrophobicContact CD1-CB 3.9Å; F441-L444 HydrophobicContact CD1-CD2 3.72Å; F441-L444 HydrophobicContact CD1-CG 4.46Å; F441-L444 HydrophobicContact CD2-CD2 4.38Å; F441-L444 HydrophobicContact CE1-CD2 3.84Å; F441-L444 HydrophobicContact CE2-CD2 4.49Å; F441-L444 HydrophobicContact CG-CB 4.22Å; F441-L444 HydrophobicContact CG-CD2 4Å; F441-L444 HydrophobicContact CZ-CD2 4.23Å; F441-L444 PolarHBondContact O-N 3.3Å; F441-V481 HydrophobicContact CE1-CG1 4.2Å
442	G	98.1	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-58.3	-22.3	152.5	0	0	0	0	0	112.7	D384 S440 D507	D384-G442 PolarHBondContact OD1-N 2.93Å; S440-G442 PolarHBondContact O-N 2.94Å; G442-D507 WeakPolarHBondContact O-CB 3.26Å; G442-D507 PolarHBondContact O-N 2.99Å
443	N	98.8	Very high	96.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-91.3	9.4	174.1	-163.2	41.7	0	0	0	114.5	L438 S440 F441 I464 G465 G504 H505 I506	L438-N443 PolarHBondContact O-ND2 2.85Å; S440-N443 WeakPolarHBondContact O-CB 3.49Å; S440-N443 PolarHBondContact O-N 2.94Å; F441-N443 PolarHBondContact O-N 3.2Å; N443-I464 WeakPolarHBondContact O-CA 3.3Å; N443-G465 PolarHBondContact ND2-N 3.23Å; N443-G465 PolarHBondContact ND2-O 3.28Å; N443-G465 PolarHBondContact O-N 3.25Å; N443-G465 WeakPolarHBondContact OD1-CA 3.22Å; N443-G465 PolarHBondContact OD1-N 3.42Å; N443-G504 PolarHBondContact OD1-O 3.18Å; N443-H505 HydrophobicContact CB-CB 4.21Å; N443-I506 PolarHBondContact OD1-N 3.32Å
444	L	98.9	Very high	97.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	101.1	-178.9	176.7	58	0	0	0	110	M332 E387 L402 F441 I462 I464 M477 L485	M332-L444 HydrophobicContact CE-CD1 4.25Å; M332-L444 HydrophobicContact CE-CG 3.86Å; M332-L444 HydrophobicContact SD-CD1 3.78Å; M332-L444 HydrophobicContact SD-CD2 4.21Å; M332-L444 HydrophobicContact SD-CG 3.84Å; E387-L444 HydrophobicContact CB-CD2 4.31Å; E387-L444 HydrophobicContact CG-CD2 4.23Å; L402-L444 HydrophobicContact CD2-CD2 4.07Å; F441-L444 HydrophobicContact CB-CB 4.17Å; F441-L444 HydrophobicContact CD1-CB 3.9Å; F441-L444 HydrophobicContact CD1-CD2 3.72Å; F441-L444 HydrophobicContact CD1-CG 4.46Å; F441-L444 HydrophobicContact CD2-CD2 4.38Å; F441-L444 HydrophobicContact CE1-CD2 3.84Å; F441-L444 HydrophobicContact CE2-CD2 4.49Å; F441-L444 HydrophobicContact CG-CB 4.22Å; F441-L444 HydrophobicContact CG-CD2 4Å; F441-L444 HydrophobicContact CZ-CD2 4.23Å; F441-L444 PolarHBondContact O-N 3.3Å; L444-I462 HydrophobicContact CD1-CG2 3.65Å; L444-I464 HydrophobicContact CD1-CG2 3.56Å; L444-M477 HydrophobicContact CB-CE 4.22Å; L444-L485 HydrophobicContact CD1-CD1 3.57Å; L444-L485 HydrophobicContact CD1-CD2 4.32Å; L444-L485 HydrophobicContact CD2-CD1 4.33Å; L444-L485 HydrophobicContact CD2-CD2 4.34Å
445	E	98.9	Very high	97.5	Very high	11 Å²	11	28.4 Å²	28.4	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	173.2	-178.6	-70.2	-65.7	142.3	0	0	111.5	I462 L463 I506 H684	E445-I462 CarbonylContact O-C 3.48Å; E445-I462 WeakPolarHBondContact O-CA 3.31Å; E445-L463 HydrophobicContact CB-CB 4.35Å; E445-L463 PolarHBondContact N-O 2.95Å; E445-L463 PolarHBondContact O-N 2.92Å; E445-I506 HydrophobicContact CB-CD1 3.63Å; E445-I506 HydrophobicContact CB-CG1 4.31Å; E445-I506 HydrophobicContact CG-CD1 3.78Å; E445-I506 HydrophobicContact CG-CG1 3.88Å; E445-H684 IonicContact OE1-CE1 2.62Å; E445-H684 PolarHBondContact OE1-CE1 3.33Å; E445-H684 IonicContact OE1-NE2 3.53Å
446	V	98.9	Very high	97.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.2	171.2	66.2	0	0	0	0	111.7	M332 T333 P334 I462	M332-V446 HydrophobicContact CB-CB 3.96Å; M332-V446 HydrophobicContact CB-CG1 3.68Å; M332-V446 HydrophobicContact CB-CG2 4.37Å; M332-V446 HydrophobicContact CE-CB 4.09Å; M332-V446 HydrophobicContact CE-CG1 4.15Å; T333-V446 VanDerWaalsContact C-CG1 3.41Å; P334-V446 HydrophobicContact CB-CG1 3.92Å; P334-V446 WeakPolarHBondContact CB-O 3.46Å; P334-V446 VanDerWaalsContact N-CG1 3.32Å; V446-I462 HydrophobicContact CB-CG1 4.47Å; V446-I462 HydrophobicContact CG2-CG1 4.27Å
447	S	98.9	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-71.1	156.8	175.2	53.9	0	0	0	0	112.4	G460 R461 L594	S447-G460 WeakPolarHBondContact O-CA 3.28Å; S447-R461 PolarHBondContact N-O 2.89Å; S447-R461 WeakPolarHBondContact OG-CA 3.22Å; S447-R461 PolarHBondContact OG-N 2.84Å; S447-R461 PolarHBondContact OG-O 3Å; S447-L594 WeakPolarHBondContact OG-CD2 3.4Å
448	P	98.9	Very high	98.1	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.013	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-61	169.3	165.8	-22.5	35.7	0	0	0	112.2	T336 V450 G460 F512 F521	T336-P448 HydrophobicContact CG2-CB 4.05Å; T336-P448 HydrophobicContact CG2-CG 3.51Å; P448-V450 PolarHBondContact O-N 2.91Å; P448-G460 WeakPolarHBondContact O-CA 3.22Å; P448-F512 VanDerWaalsContact CD-CG 3.48Å; P448-F512 HydrophobicContact CG-CB 3.97Å; P448-F512 HydrophobicContact CG-CD1 3.98Å; P448-F512 HydrophobicContact CG-CG 3.94Å; P448-F521 HydrophobicContact CB-CB 4.48Å; P448-F521 HydrophobicContact CB-CD1 3.54Å; P448-F521 HydrophobicContact CB-CE1 3.75Å; P448-F521 HydrophobicContact CB-CG 3.96Å; P448-F521 HydrophobicContact CB-CZ 4.34Å; P448-F521 HydrophobicContact CG-CB 4.06Å; P448-F521 HydrophobicContact CG-CD1 3.82Å; P448-F521 HydrophobicContact CG-CD2 3.95Å; P448-F521 HydrophobicContact CG-CE1 4.18Å; P448-F521 HydrophobicContact CG-CE2 4.31Å; P448-F521 HydrophobicContact CG-CG 3.69Å; P448-F521 HydrophobicContact CG-CZ 4.41Å
449	P	98.8	Very high	98.1	Very high	54 Å²	54	32.5 Å²	32.5	35%	0.351	19%	0.186	S	C	.	.	S	Bend	trans	-56.5	130.4	174.2	-27.3	37.2	0	0	0	112.8	Y457 P458 F694	P449-Y457 VanDerWaalsContact CA-O 3.3Å; P449-Y457 WeakPolarHBondContact CA-O 3.41Å; P449-P458 VanDerWaalsContact CG-O 3.3Å; P449-P458 WeakPolarHBondContact CG-O 3.31Å; P449-F694 HydrophobicContact CG-CD1 4.35Å; P449-F694 HydrophobicContact CG-CE1 3.65Å; P449-F694 HydrophobicContact CG-CZ 4.49Å
450	V	98.6	Very high	98.2	Very high	8 Å²	8	32.5 Å²	32.5	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	165.5	-176.9	-70.1	0	0	0	0	112.7	P448 V452 Y457 F521 L594	P448-V450 PolarHBondContact O-N 2.91Å; V450-V452 HydrophobicContact CG2-CG2 4.15Å; V450-Y457 HydrophobicContact CG2-CD2 4.34Å; V450-Y457 HydrophobicContact CG2-CG 4.46Å; V450-Y457 PolarHBondContact N-O 3.2Å; V450-Y457 VanDerWaalsContact N-O 3.11Å; V450-Y457 PolarHBondContact O-N 2.87Å; V450-F521 HydrophobicContact CG1-CE1 3.99Å; V450-F521 HydrophobicContact CG1-CZ 3.69Å; V450-L594 WeakPolarHBondContact CB-O 3.43Å; V450-L594 HydrophobicContact CG1-CB 4.33Å; V450-L594 HydrophobicContact CG2-CB 4.5Å; V450-L594 HydrophobicContact CG2-CD2 4.19Å
451	T	98	Very high	98.2	Very high	71 Å²	71	32.7 Å²	32.7	44%	0.436	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.8	169.8	-61.6	0	0	0	0	108.4	K455 K456	T451-K455 CarbonylContact C-O 3.49Å; T451-K455 VanDerWaalsContact CA-O 3.31Å; T451-K455 WeakPolarHBondContact CA-O 3.43Å; T451-K456 HydrophobicContact CG2-CG 4.26Å
452	V	97.8	Very high	98.2	Very high	13 Å²	13	32.7 Å²	32.7	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.8	-171.7	-169.4	0	0	0	0	108.1	V450 G454 K455 Y457 R592 E593	V450-V452 HydrophobicContact CG2-CG2 4.15Å; V452-G454 PolarHBondContact O-N 2.95Å; V452-K455 PolarHBondContact N-O 3.03Å; V452-K455 PolarHBondContact O-N 2.94Å; V452-Y457 HydrophobicContact CB-CE2 4.17Å; V452-Y457 HydrophobicContact CG2-CD2 4.03Å; V452-Y457 HydrophobicContact CG2-CE2 4.05Å; V452-R592 WeakPolarHBondContact CG1-O 3.28Å; V452-E593 WeakPolarHBondContact CG2-O 3.24Å
453	N	95.3	Very high	98.2	Very high	166 Å²	166	32.7 Å²	32.7	89%	0.888	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	36.5	179.9	-58.7	-34.6	0	0	0	113.8	K455	N453-K455 VanDerWaalsContact C-N 3.34Å; N453-K455 PolarHBondContact O-N 2.84Å
454	G	95.4	Very high	98.2	Very high	68 Å²	68	32.7 Å²	32.7	70%	0.701	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-13.8	-178.4	0	0	0	0	0	115.7	V452	V452-G454 PolarHBondContact O-N 2.95Å
455	K	97	Very high	98.2	Very high	81 Å²	81	32.7 Å²	32.7	35%	0.352	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.2	172.7	-177.3	171.8	170.7	-173.4	0	110.2	T451 V452 N453 Y457 E492	T451-K455 CarbonylContact C-O 3.49Å; T451-K455 VanDerWaalsContact CA-O 3.31Å; T451-K455 WeakPolarHBondContact CA-O 3.43Å; V452-K455 PolarHBondContact N-O 3.03Å; V452-K455 PolarHBondContact O-N 2.94Å; N453-K455 VanDerWaalsContact C-N 3.34Å; N453-K455 PolarHBondContact O-N 2.84Å; K455-Y457 HydrophobicContact CB-CE2 4.24Å; K455-Y457 HydrophobicContact CD-CE1 4.43Å; K455-Y457 HydrophobicContact CD-CE2 3.99Å; K455-Y457 WeakPolarHBondContact CD-OH 3.46Å; K455-Y457 VanDerWaalsContact CE-CZ 3.44Å; K455-Y457 WeakPolarHBondContact CE-OH 3.45Å; K455-Y457 HydrophobicContact CG-CD2 4.48Å; K455-Y457 HydrophobicContact CG-CE2 3.85Å; K455-Y457 PolarHBondContact NZ-OH 2.8Å; K455-Y457 VanDerWaalsContact NZ-OH 3.1Å; K455-E492 IonicContact NZ-OE1 3.43Å; K455-E492 IonicContact NZ-OE2 3.66Å; K455-E492 PolarHBondContact NZ-OE2 3.45Å
456	K	97.6	Very high	98.1	Very high	151 Å²	151	33.1 Å²	33.1	66%	0.657	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.1	179.1	-64.5	179.8	-179.9	175.3	0	110.5	T451 P458	T451-K456 HydrophobicContact CG2-CG 4.26Å; K456-P458 VanDerWaalsContact C-CD 3.45Å; K456-P458 WeakPolarHBondContact O-CD 3.25Å
457	Y	98.5	Very high	97.8	Very high	22 Å²	22	33.5 Å²	33.5	9%	0.086	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	74.9	171.5	-66.1	-86	0	0	0	108.3	P449 V450 V452 K455 L459 G460 R461 E492	P449-Y457 VanDerWaalsContact CA-O 3.3Å; P449-Y457 WeakPolarHBondContact CA-O 3.41Å; V450-Y457 HydrophobicContact CG2-CD2 4.34Å; V450-Y457 HydrophobicContact CG2-CG 4.46Å; V450-Y457 PolarHBondContact N-O 3.2Å; V450-Y457 VanDerWaalsContact N-O 3.11Å; V450-Y457 PolarHBondContact O-N 2.87Å; V452-Y457 HydrophobicContact CB-CE2 4.17Å; V452-Y457 HydrophobicContact CG2-CD2 4.03Å; V452-Y457 HydrophobicContact CG2-CE2 4.05Å; K455-Y457 HydrophobicContact CB-CE2 4.24Å; K455-Y457 HydrophobicContact CD-CE1 4.43Å; K455-Y457 HydrophobicContact CD-CE2 3.99Å; K455-Y457 WeakPolarHBondContact CD-OH 3.46Å; K455-Y457 VanDerWaalsContact CE-CZ 3.44Å; K455-Y457 WeakPolarHBondContact CE-OH 3.45Å; K455-Y457 HydrophobicContact CG-CD2 4.48Å; K455-Y457 HydrophobicContact CG-CE2 3.85Å; K455-Y457 PolarHBondContact NZ-OH 2.8Å; K455-Y457 VanDerWaalsContact NZ-OH 3.1Å; Y457-L459 PolarHBondContact O-N 2.87Å; Y457-G460 PolarHBondContact O-N 2.89Å; Y457-R461 HydrophobicContact CD1-CG 3.56Å; Y457-R461 HydrophobicContact CD2-CG 4.32Å; Y457-R461 HydrophobicContact CE1-CG 4Å; Y457-R461 HydrophobicContact CG-CG 3.72Å; Y457-E492 HydrophobicContact CE1-CB 3.98Å; Y457-E492 VanDerWaalsContact CE1-OE2 3.22Å; Y457-E492 WeakPolarHBondContact CE1-OE2 3.23Å; Y457-E492 PolarHBondContact OH-OE2 2.9Å
458	P	98.4	Very high	97.1	Very high	27 Å²	27	36.3 Å²	36.3	18%	0.175	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.7	-173.2	28	-37.2	0	0	0	114.2	P449 K456 F696 L701	P449-P458 VanDerWaalsContact CG-O 3.3Å; P449-P458 WeakPolarHBondContact CG-O 3.31Å; K456-P458 VanDerWaalsContact C-CD 3.45Å; K456-P458 WeakPolarHBondContact O-CD 3.25Å; P458-F696 HydrophobicContact CB-CD1 3.89Å; P458-F696 HydrophobicContact CB-CD2 3.88Å; P458-F696 HydrophobicContact CB-CE1 4.05Å; P458-F696 HydrophobicContact CB-CE2 4.02Å; P458-F696 HydrophobicContact CB-CG 3.81Å; P458-F696 HydrophobicContact CB-CZ 4.1Å; P458-F696 HydrophobicContact CG-CD1 3.77Å; P458-F696 HydrophobicContact CG-CD2 4.31Å; P458-F696 HydrophobicContact CG-CE1 3.48Å; P458-F696 VanDerWaalsContact CG-CE1 3.48Å; P458-F696 HydrophobicContact CG-CE2 4.04Å; P458-F696 HydrophobicContact CG-CG 4.19Å; P458-F696 HydrophobicContact CG-CZ 3.62Å; P458-L701 HydrophobicContact CG-CD2 3.33Å; P458-L701 HydrophobicContact CG-CG 4.27Å
459	L	98.8	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	8.7	174.2	-55.8	179.2	0	0	0	112.3	I331 Y457 V490 Q491 F694 F696 W698 L701	I331-L459 HydrophobicContact CD1-CD1 4.2Å; I331-L459 HydrophobicContact CG2-CD1 4.22Å; Y457-L459 PolarHBondContact O-N 2.87Å; L459-V490 HydrophobicContact CD1-CB 3.99Å; L459-V490 HydrophobicContact CD1-CG2 4.14Å; L459-Q491 HydrophobicContact CB-CG 3.8Å; L459-Q491 PolarHBondContact O-NE2 2.79Å; L459-F694 HydrophobicContact CB-CD2 4.34Å; L459-F694 HydrophobicContact CB-CE2 4.14Å; L459-F694 HydrophobicContact CD2-CB 3.68Å; L459-F694 HydrophobicContact CD2-CD1 4.34Å; L459-F694 HydrophobicContact CD2-CD2 3.58Å; L459-F694 HydrophobicContact CD2-CE2 4.23Å; L459-F694 HydrophobicContact CD2-CG 3.62Å; L459-F694 WeakPolarHBondContact O-CE2 3.17Å; L459-F694 VanDerWaalsContact O-CZ 3.3Å; L459-F694 WeakPolarHBondContact O-CZ 3.42Å; L459-F696 HydrophobicContact CD2-CB 4.27Å; L459-F696 HydrophobicContact CD2-CD1 3.97Å; L459-F696 HydrophobicContact CG-CD1 4.31Å; L459-W698 HydrophobicContact CD1-CB 3.78Å; L459-L701 HydrophobicContact CD1-CD1 4.18Å
460	G	98.8	Very high	94.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.262	C	S	.	.			trans	73.9	-169.3	-171	0	0	0	0	0	113.4	S447 P448 Y457	S447-G460 WeakPolarHBondContact O-CA 3.28Å; P448-G460 WeakPolarHBondContact O-CA 3.22Å; Y457-G460 PolarHBondContact O-N 2.89Å
461	R	98.9	Very high	93.6	Very high	11 Å²	11	47.5 Å²	47.5	4%	0.042	28%	0.278	C	S	.	.			trans	-130.1	131.7	176.1	-60.3	-171.2	69.4	-172.4	1.5	110	S447 Y457 Q491 E492 V494 E593 L594	S447-R461 PolarHBondContact N-O 2.89Å; S447-R461 WeakPolarHBondContact OG-CA 3.22Å; S447-R461 PolarHBondContact OG-N 2.84Å; S447-R461 PolarHBondContact OG-O 3Å; Y457-R461 HydrophobicContact CD1-CG 3.56Å; Y457-R461 HydrophobicContact CD2-CG 4.32Å; Y457-R461 HydrophobicContact CE1-CG 4Å; Y457-R461 HydrophobicContact CG-CG 3.72Å; R461-Q491 CarbonylContact C-O 3.49Å; R461-Q491 WeakPolarHBondContact CA-O 3.34Å; R461-E492 PolarHBondContact NE-O 3.33Å; R461-E492 PolarHBondContact NH2-O 2.73Å; R461-V494 HydrophobicContact CB-CG2 4.44Å; R461-V494 VanDerWaalsContact NH2-CG2 3.3Å; R461-E593 IonicContact CZ-OE2 3.63Å; R461-E593 PolarHBondContact NH1-O 3.15Å; R461-E593 IonicContact NH1-OE2 3.63Å; R461-E593 PolarHBondContact NH1-OE2 2.66Å; R461-E593 IonicContact NH2-OE2 3.42Å; R461-L594 HydrophobicContact CB-CD2 4.03Å; R461-L594 HydrophobicContact CG-CD2 4.3Å
462	I	98.9	Very high	92.3	Very high	1 Å²	1	51 Å²	51	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	142.1	173.1	-73.2	167.1	0	0	0	108.7	M332 L444 E445 V446 I464 L485 Q491 P493 V494	M332-I462 HydrophobicContact CG-CD1 4.43Å; M332-I462 HydrophobicContact CG-CG1 4.46Å; M332-I462 HydrophobicContact SD-CD1 3.95Å; M332-I462 HydrophobicContact SD-CG1 3.73Å; M332-I462 HydrophobicContact SD-CG2 4.44Å; L444-I462 HydrophobicContact CD1-CG2 3.65Å; E445-I462 CarbonylContact O-C 3.48Å; E445-I462 WeakPolarHBondContact O-CA 3.31Å; V446-I462 HydrophobicContact CB-CG1 4.47Å; V446-I462 HydrophobicContact CG2-CG1 4.27Å; I462-I464 HydrophobicContact CG2-CG2 4.04Å; I462-L485 HydrophobicContact CD1-CD2 4.22Å; I462-L485 HydrophobicContact CG2-CD1 4.45Å; I462-Q491 HydrophobicContact CD1-CB 3.89Å; I462-Q491 HydrophobicContact CG1-CB 3.76Å; I462-Q491 PolarHBondContact N-O 3Å; I462-P493 HydrophobicContact CB-CB 4.06Å; I462-P493 HydrophobicContact CB-CG 4.03Å; I462-P493 HydrophobicContact CD1-CG 4.45Å; I462-P493 HydrophobicContact CG2-CB 3.97Å; I462-P493 HydrophobicContact CG2-CG 4.11Å; I462-P493 CarbonylContact O-C 3.38Å; I462-P493 VanDerWaalsContact O-CA 3.3Å; I462-P493 WeakPolarHBondContact O-CA 3.4Å; I462-V494 PolarHBondContact O-N 2.72Å
463	L	98.9	Very high	91.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.3	177.8	-54.2	178	0	0	0	107.5	E445 V494 L496 I506 M510 F512 L590 L594	E445-L463 HydrophobicContact CB-CB 4.35Å; E445-L463 PolarHBondContact N-O 2.95Å; E445-L463 PolarHBondContact O-N 2.92Å; L463-V494 WeakPolarHBondContact CA-O 3.48Å; L463-V494 HydrophobicContact CD2-CB 3.88Å; L463-V494 HydrophobicContact CD2-CG1 4.48Å; L463-V494 HydrophobicContact CD2-CG2 4.37Å; L463-L496 HydrophobicContact CB-CD1 4.07Å; L463-L496 HydrophobicContact CD1-CD1 4.34Å; L463-I506 HydrophobicContact CB-CD1 3.65Å; L463-I506 VanDerWaalsContact O-CD1 3.24Å; L463-I506 WeakPolarHBondContact O-CD1 3.3Å; L463-M510 HydrophobicContact CD1-CE 4.15Å; L463-M510 HydrophobicContact CD1-SD 3.71Å; L463-F512 HydrophobicContact CD1-CE2 3.76Å; L463-F512 HydrophobicContact CD1-CZ 4.12Å; L463-L590 HydrophobicContact CD1-CD2 4.01Å; L463-L590 HydrophobicContact CD2-CD2 4.19Å; L463-L594 HydrophobicContact CD2-CD2 4.47Å
464	I	98.6	Very high	90.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.2	173.6	64.7	167.1	0	0	0	110.9	N443 L444 I462 V466 M477 Q482 L485 W486 V494 A495 L496	N443-I464 WeakPolarHBondContact O-CA 3.3Å; L444-I464 HydrophobicContact CD1-CG2 3.56Å; I462-I464 HydrophobicContact CG2-CG2 4.04Å; I464-V466 HydrophobicContact CD1-CG1 4.41Å; I464-M477 HydrophobicContact CB-CE 4.25Å; I464-M477 HydrophobicContact CB-SD 4.5Å; I464-M477 HydrophobicContact CD1-SD 4.21Å; I464-M477 HydrophobicContact CG2-CE 3.96Å; I464-M477 HydrophobicContact CG2-SD 4.11Å; I464-Q482 HydrophobicContact CD1-CG 3.9Å; I464-L485 HydrophobicContact CG2-CD1 4.11Å; I464-W486 HydrophobicContact CD1-CH2 3.55Å; I464-W486 HydrophobicContact CD1-CZ3 3.58Å; I464-W486 HydrophobicContact CG1-CH2 4.25Å; I464-V494 PolarHBondContact N-O 2.94Å; I464-A495 CarbonylContact O-C 3.59Å; I464-A495 WeakPolarHBondContact O-CA 3.29Å; I464-L496 PolarHBondContact O-N 2.71Å
465	G	98.1	Very high	90.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	141.4	174	0	0	0	0	0	113.3	N443 L496 S498	N443-G465 PolarHBondContact ND2-N 3.23Å; N443-G465 PolarHBondContact ND2-O 3.28Å; N443-G465 PolarHBondContact O-N 3.25Å; N443-G465 WeakPolarHBondContact OD1-CA 3.22Å; N443-G465 PolarHBondContact OD1-N 3.42Å; G465-L496 CarbonylContact C-O 3.54Å; G465-L496 WeakPolarHBondContact CA-O 3.31Å; G465-S498 WeakPolarHBondContact CA-OG 3.38Å
466	V	96.6	Very high	90.6	Very high	20 Å²	20	48.9 Å²	48.9	12%	0.121	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	170.2	-179.9	-65	0	0	0	0	110.6	I464 N476 A495 L496 F497 S498 D499	I464-V466 HydrophobicContact CD1-CG1 4.41Å; V466-N476 VanDerWaalsContact CB-OD1 3.27Å; V466-N476 WeakPolarHBondContact CB-OD1 3.3Å; V466-A495 HydrophobicContact CG1-CB 4.24Å; V466-A495 HydrophobicContact CG2-CB 3.79Å; V466-L496 WeakPolarHBondContact CG2-O 3.48Å; V466-L496 PolarHBondContact N-O 3.39Å; V466-F497 WeakPolarHBondContact O-CA 3.43Å; V466-S498 PolarHBondContact O-N 2.89Å; V466-S498 VanDerWaalsContact O-N 3.07Å; V466-D499 PolarHBondContact O-N 3.08Å
467	A	93.7	Very high	90.6	Very high	8 Å²	8	41.8 Å²	41.8	7%	0.066	24%	0.241	C	C	.	.			trans	-74	160	166.8	0	0	0	0	0	112.9	A471 R475 N476 D499	A467-A471 HydrophobicContact CB-CB 4.14Å; A467-R475 WeakPolarHBondContact CB-O 3.47Å; A467-R475 PolarHBondContact N-O 3.01Å; A467-N476 PolarHBondContact N-OD1 3.38Å; A467-D499 HydrophobicContact CB-CB 3.79Å; A467-D499 VanDerWaalsContact CB-OD2 3.28Å; A467-D499 WeakPolarHBondContact CB-OD2 3.41Å
468	F	83.1	Confident	90.5	Very high	60 Å²	60	41.3 Å²	41.3	26%	0.263	24%	0.24	S	C	.	.			trans	-56.9	141.8	169.7	-94.4	-54.2	0	0	0	110.9	T470 A471 F497 W585	F468-T470 PolarHBondContact O-N 2.85Å; F468-A471 VanDerWaalsContact O-CB 3.24Å; F468-A471 WeakPolarHBondContact O-CB 3.37Å; F468-A471 PolarHBondContact O-N 3.1Å; F468-F497 HydrophobicContact CB-CD2 4.32Å; F468-F497 HydrophobicContact CB-CE2 4.17Å; F468-F497 HydrophobicContact CD1-CD2 4.23Å; F468-F497 HydrophobicContact CD1-CG 4.2Å; F468-F497 AromaticContact CD2-CD1 3.86Å; F468-F497 HydrophobicContact CD2-CD1 3.86Å; F468-F497 AromaticContact CD2-CD2 3.72Å; F468-F497 HydrophobicContact CD2-CD2 3.72Å; F468-F497 AromaticContact CD2-CE1 3.44Å; F468-F497 HydrophobicContact CD2-CE1 3.44Å; F468-F497 VanDerWaalsContact CD2-CE1 3.44Å; F468-F497 AromaticContact CD2-CE2 3.29Å; F468-F497 HydrophobicContact CD2-CE2 3.29Å; F468-F497 AromaticContact CD2-CG 3.99Å; F468-F497 HydrophobicContact CD2-CG 3.99Å; F468-F497 AromaticContact CD2-CZ 3.12Å; F468-F497 HydrophobicContact CD2-CZ 3.12Å; F468-F497 HydrophobicContact CE1-CB 4.39Å; F468-F497 HydrophobicContact CE1-CD1 4.02Å; F468-F497 HydrophobicContact CE1-CD2 4.49Å; F468-F497 HydrophobicContact CE1-CE1 4.47Å; F468-F497 HydrophobicContact CE1-CG 4.03Å; F468-F497 AromaticContact CE2-CD1 3.3Å; F468-F497 HydrophobicContact CE2-CD1 3.3Å; F468-F497 HydrophobicContact CE2-CD2 4.05Å; F468-F497 AromaticContact CE2-CE1 2.94Å; F468-F497 HydrophobicContact CE2-CE1 2.94Å; F468-F497 AromaticContact CE2-CE2 3.77Å; F468-F497 HydrophobicContact CE2-CE2 3.77Å; F468-F497 AromaticContact CE2-CG 3.84Å; F468-F497 HydrophobicContact CE2-CG 3.84Å; F468-F497 AromaticContact CE2-CZ 3.2Å; F468-F497 HydrophobicContact CE2-CZ 3.2Å; F468-F497 HydrophobicContact CG-CD1 4.44Å; F468-F497 AromaticContact CG-CD2 3.81Å; F468-F497 HydrophobicContact CG-CD2 3.81Å; F468-F497 HydrophobicContact CG-CE1 4.39Å; F468-F497 AromaticContact CG-CE2 3.76Å; F468-F497 HydrophobicContact CG-CE2 3.76Å; F468-F497 HydrophobicContact CG-CG 4.16Å; F468-F497 HydrophobicContact CG-CZ 4.05Å; F468-F497 AromaticContact CZ-CD1 3.36Å; F468-F497 HydrophobicContact CZ-CD1 3.36Å; F468-F497 HydrophobicContact CZ-CD2 4.4Å; F468-F497 AromaticContact CZ-CE1 3.54Å; F468-F497 HydrophobicContact CZ-CE1 3.54Å; F468-F497 AromaticContact CZ-CG 3.83Å; F468-F497 HydrophobicContact CZ-CG 3.83Å; F468-F497 HydrophobicContact CZ-CZ 4.14Å; F468-W585 AromaticContact CE1-CD1 3.98Å; F468-W585 AromaticContact CE1-CD2 3.82Å; F468-W585 HydrophobicContact CE1-CD2 3.82Å; F468-W585 AromaticContact CE1-CE2 3.69Å; F468-W585 HydrophobicContact CE1-CE3 4.39Å; F468-W585 HydrophobicContact CE1-CG 4.02Å; F468-W585 HydrophobicContact CE1-CZ2 4.17Å; F468-W585 AromaticContact CE1-NE1 3.78Å; F468-W585 HydrophobicContact CZ-CD2 4.29Å; F468-W585 HydrophobicContact CZ-CG 4.12Å
469	P	70.9	Confident	90.3	Very high	123 Å²	123	45.7 Å²	45.7	80%	0.799	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.4	177.7	-26.7	35.4	0	0	0	114.4
470	T	73.8	Confident	90.3	Very high	129 Å²	129	47.9 Å²	47.9	79%	0.791	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.4	178	54.1	0	0	0	0	113.7	F468 T472	F468-T470 PolarHBondContact O-N 2.85Å; T470-T472 PolarHBondContact O-N 3.05Å
471	A	77.8	Confident	90.2	Very high	46 Å²	46	48 Å²	48	38%	0.38	27%	0.27	S	S	.	.			trans	-68.9	126.8	179.4	0	0	0	0	0	110.3	A467 F468	A467-A471 HydrophobicContact CB-CB 4.14Å; F468-A471 VanDerWaalsContact O-CB 3.24Å; F468-A471 WeakPolarHBondContact O-CB 3.37Å; F468-A471 PolarHBondContact O-N 3.1Å
472	T	71.3	Confident	90.2	Very high	145 Å²	145	49.8 Å²	49.8	89%	0.89	28%	0.279	S	S	*	.	S	Bend	trans	-83.4	-17	177.4	51.6	0	0	0	0	113	T470	T470-T472 PolarHBondContact O-N 3.05Å
473	K	78.6	Confident	90.2	Very high	142 Å²	142	51.3 Å²	51.3	62%	0.617	29%	0.288	S	S	*	.	S	Bend	trans	-136	37.8	177.5	-64.1	-171.6	177.5	-175.3	0	112.4	D615	K473-D615 WeakPolarHBondContact CD-OD1 3.4Å; K473-D615 IonicContact NZ-OD1 3.42Å; K473-D615 PolarHBondContact NZ-OD1 2.83Å
474	G	85.7	Confident	90.2	Very high	25 Å²	25	51.3 Å²	51.3	26%	0.258	29%	0.288	S	S	.	.			trans	-74.4	142.4	-176.9	0	0	0	0	0	113.7	D499	G474-D499 VanDerWaalsContact CA-OD2 3.25Å; G474-D499 WeakPolarHBondContact CA-OD2 3.21Å
475	R	92.7	Very high	90.2	Very high	44 Å²	44	51.4 Å²	51.4	17%	0.166	29%	0.288	C	S	.	.			trans	-76.9	147.9	169.7	-63.9	174.9	-63.8	172.7	6.4	110.1	L438 A467 D499 L501 C502	L438-R475 HydrophobicContact CD1-CB 3.75Å; L438-R475 HydrophobicContact CD2-CB 3.97Å; L438-R475 WeakPolarHBondContact CD2-O 3.49Å; L438-R475 HydrophobicContact CG-CB 4.39Å; A467-R475 WeakPolarHBondContact CB-O 3.47Å; A467-R475 PolarHBondContact N-O 3.01Å; R475-D499 IonicContact CZ-OD1 3.75Å; R475-D499 VanDerWaalsContact CZ-OD1 3.23Å; R475-D499 PolarHBondContact N-OD2 2.89Å; R475-D499 IonicContact NE-OD1 2.92Å; R475-D499 PolarHBondContact NE-OD1 3.1Å; R475-D499 PolarHBondContact NH2-O 2.85Å; R475-D499 IonicContact NH2-OD1 3.95Å; R475-D499 PolarHBondContact NH2-OD1 2.72Å; R475-L501 PolarHBondContact NH2-O 3.48Å; R475-C502 PolarHBondContact NH1-O 2.85Å
476	N	93.6	Very high	90.2	Very high	73 Å²	73	56.3 Å²	56.3	39%	0.39	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-147.4	147.6	174.6	-68.1	-74.3	0	0	0	109.3	V466 A467 T478	V466-N476 VanDerWaalsContact CB-OD1 3.27Å; V466-N476 WeakPolarHBondContact CB-OD1 3.3Å; A467-N476 PolarHBondContact N-OD1 3.38Å; N476-T478 PolarHBondContact O-N 2.82Å
477	M	96	Very high	90.3	Very high	2 Å²	2	56 Å²	56	1%	0.01	31%	0.306	C	S	.	.			trans	-51.7	139	165.2	-178	178.3	-74.9	0	0	109.8	L444 I464 V481 Q482 L485	L444-M477 HydrophobicContact CB-CE 4.22Å; I464-M477 HydrophobicContact CB-CE 4.25Å; I464-M477 HydrophobicContact CB-SD 4.5Å; I464-M477 HydrophobicContact CD1-SD 4.21Å; I464-M477 HydrophobicContact CG2-CE 3.96Å; I464-M477 HydrophobicContact CG2-SD 4.11Å; M477-V481 HydrophobicContact CG-CB 4.06Å; M477-V481 HydrophobicContact CG-CG1 4.17Å; M477-V481 HydrophobicContact SD-CB 4.07Å; M477-V481 HydrophobicContact SD-CG1 3.57Å; M477-V481 VanDerWaalsContact SD-CG1 3.57Å; M477-Q482 HydrophobicContact CB-CG 4.28Å; M477-Q482 HydrophobicContact CG-CG 4.27Å; M477-Q482 PolarHBondContact O-NE2 3.37Å; M477-Q482 HydrophobicContact SD-CG 4.38Å; M477-L485 HydrophobicContact SD-CD1 4.14Å
478	T	96.4	Very high	90.5	Very high	11 Å²	11	55.9 Å²	55.9	7%	0.067	30%	0.304	C	S	.	.			trans	-57.3	143.4	-177	53.1	0	0	0	0	111.6	A430 D434 V435 D439 N476 V480 V481 Q482	A430-T478 HydrophobicContact CB-CG2 3.7Å; D434-T478 HydrophobicContact CB-CG2 4.47Å; D434-T478 VanDerWaalsContact O-CG2 3.25Å; D434-T478 WeakPolarHBondContact O-CG2 3.19Å; V435-T478 HydrophobicContact CG2-CG2 4.42Å; D439-T478 WeakPolarHBondContact OD1-CA 3.29Å; D439-T478 WeakPolarHBondContact OD1-CB 3.31Å; D439-T478 WeakPolarHBondContact OD1-CG2 3.29Å; D439-T478 PolarHBondContact OD1-N 2.78Å; D439-T478 PolarHBondContact OD1-OG1 2.87Å; D439-T478 WeakPolarHBondContact OD2-CG2 3.47Å; N476-T478 PolarHBondContact O-N 2.82Å; T478-V480 PolarHBondContact O-N 2.77Å; T478-V480 VanDerWaalsContact O-N 3.12Å; T478-V481 PolarHBondContact O-N 3.26Å; T478-V481 VanDerWaalsContact O-N 3.15Å; T478-V481 WeakPolarHBondContact OG1-CG2 3.44Å; T478-Q482 PolarHBondContact O-N 3.38Å; T478-Q482 VanDerWaalsContact O-N 3.14Å
479	K	95.9	Very high	91.2	Very high	120 Å²	120	56.8 Å²	56.8	52%	0.522	31%	0.308	S	S	.	.	H	α-helix	trans	-57.8	-31.4	-177.5	177.9	162.1	177.3	46	0	113	Q482 D483	K479-Q482 PolarHBondContact O-N 3.41Å; K479-D483 VanDerWaalsContact CE-OD2 3.23Å; K479-D483 WeakPolarHBondContact CE-OD2 3.35Å; K479-D483 WeakPolarHBondContact CG-OD2 3.33Å; K479-D483 IonicContact NZ-OD1 3.84Å; K479-D483 PolarHBondContact NZ-OD1 2.99Å; K479-D483 IonicContact NZ-OD2 2.93Å; K479-D483 PolarHBondContact NZ-OD2 3.06Å; K479-D483 WeakPolarHBondContact O-CB 3.23Å; K479-D483 PolarHBondContact O-N 3.14Å
480	V	97.4	Very high	92.5	Very high	46 Å²	46	51.1 Å²	51.1	28%	0.279	27%	0.271	S	S	.	.	H	α-helix	trans	-68.2	-37.4	-178.5	68.6	0	0	0	0	112	R428 A430 T478 F484	R428-V480 HydrophobicContact CB-CG1 4.15Å; R428-V480 HydrophobicContact CB-CG2 4.02Å; R428-V480 HydrophobicContact CG-CG2 4.38Å; A430-V480 HydrophobicContact CB-CG1 3.95Å; T478-V480 PolarHBondContact O-N 2.77Å; T478-V480 VanDerWaalsContact O-N 3.12Å; V480-F484 PolarHBondContact O-N 3.13Å
481	V	98.3	Very high	93.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-72.5	-44.5	174.8	-178.9	0	0	0	0	110.1	P405 R428 F441 M477 T478 D483 F484 L485	P405-V481 HydrophobicContact CG-CG2 3.83Å; R428-V481 HydrophobicContact CB-CG2 4.19Å; F441-V481 HydrophobicContact CE1-CG1 4.2Å; M477-V481 HydrophobicContact CG-CB 4.06Å; M477-V481 HydrophobicContact CG-CG1 4.17Å; M477-V481 HydrophobicContact SD-CB 4.07Å; M477-V481 HydrophobicContact SD-CG1 3.57Å; M477-V481 VanDerWaalsContact SD-CG1 3.57Å; T478-V481 PolarHBondContact O-N 3.26Å; T478-V481 VanDerWaalsContact O-N 3.15Å; T478-V481 WeakPolarHBondContact OG1-CG2 3.44Å; V481-D483 PolarHBondContact O-N 2.74Å; V481-F484 WeakPolarHBondContact O-CB 3.28Å; V481-F484 PolarHBondContact O-N 3.01Å; V481-L485 HydrophobicContact CG1-CD1 4.02Å; V481-L485 HydrophobicContact CG1-CG 4.33Å; V481-L485 WeakPolarHBondContact O-CG 3.27Å; V481-L485 PolarHBondContact O-N 3.18Å
482	Q	97.9	Very high	94.6	Very high	48 Å²	48	46.2 Å²	46.2	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-49.3	174.5	-65	-170.1	44.2	0	0	111.6	I464 M477 T478 K479 F484 L485 W486	I464-Q482 HydrophobicContact CD1-CG 3.9Å; M477-Q482 HydrophobicContact CB-CG 4.28Å; M477-Q482 HydrophobicContact CG-CG 4.27Å; M477-Q482 PolarHBondContact O-NE2 3.37Å; M477-Q482 HydrophobicContact SD-CG 4.38Å; T478-Q482 PolarHBondContact O-N 3.38Å; T478-Q482 VanDerWaalsContact O-N 3.14Å; K479-Q482 PolarHBondContact O-N 3.41Å; Q482-F484 PolarHBondContact O-N 3.16Å; Q482-L485 PolarHBondContact O-N 3.24Å; Q482-L485 VanDerWaalsContact O-N 3.16Å; Q482-W486 HydrophobicContact CB-CE3 3.98Å; Q482-W486 HydrophobicContact CB-CZ3 3.61Å; Q482-W486 HydrophobicContact CG-CZ3 3.85Å; Q482-W486 PolarHBondContact O-N 2.81Å
483	D	98.3	Very high	95.9	Very high	34 Å²	34	39.7 Å²	39.7	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-57	-40.5	179.4	-80.2	-16.5	0	0	0	111.5	K293 K479 V481 A487	K293-D483 HydrophobicContact CB-CB 3.91Å; K293-D483 HydrophobicContact CD-CB 4.22Å; K293-D483 VanDerWaalsContact CD-CG 3.48Å; K293-D483 WeakPolarHBondContact CD-OD2 3.48Å; K293-D483 IonicContact NZ-OD2 3.27Å; K293-D483 PolarHBondContact NZ-OD2 3.11Å; K479-D483 VanDerWaalsContact CE-OD2 3.23Å; K479-D483 WeakPolarHBondContact CE-OD2 3.35Å; K479-D483 WeakPolarHBondContact CG-OD2 3.33Å; K479-D483 IonicContact NZ-OD1 3.84Å; K479-D483 PolarHBondContact NZ-OD1 2.99Å; K479-D483 IonicContact NZ-OD2 2.93Å; K479-D483 PolarHBondContact NZ-OD2 3.06Å; K479-D483 WeakPolarHBondContact O-CB 3.23Å; K479-D483 PolarHBondContact O-N 3.14Å; V481-D483 PolarHBondContact O-N 2.74Å; D483-A487 VanDerWaalsContact O-CB 3.29Å; D483-A487 WeakPolarHBondContact O-CB 3.45Å; D483-A487 PolarHBondContact O-N 3.45Å; D483-A487 VanDerWaalsContact O-N 3.13Å
484	F	98.8	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-53.3	173.4	173.3	-110.7	0	0	0	112.6	F290 W330 L402 V426 R428 V480 V481 Q482 W486 A487 Q488	F290-F484 HydrophobicContact CB-CE2 3.69Å; F290-F484 HydrophobicContact CG-CE2 4.07Å; F290-F484 HydrophobicContact CG-CZ 4.48Å; W330-F484 HydrophobicContact CB-CE1 4.49Å; W330-F484 HydrophobicContact CB-CZ 3.89Å; W330-F484 HydrophobicContact CD2-CE1 4.38Å; W330-F484 HydrophobicContact CE3-CE1 4.15Å; W330-F484 HydrophobicContact CG-CZ 4.27Å; L402-F484 HydrophobicContact CD1-CD1 4.21Å; L402-F484 HydrophobicContact CD1-CE1 3.76Å; L402-F484 HydrophobicContact CD1-CZ 4.48Å; L402-F484 HydrophobicContact CD2-CD1 4.37Å; L402-F484 HydrophobicContact CD2-CE1 4.06Å; V426-F484 HydrophobicContact CG1-CZ 4.46Å; V426-F484 HydrophobicContact CG2-CZ 4.41Å; R428-F484 HydrophobicContact CG-CB 3.88Å; R428-F484 HydrophobicContact CG-CD1 4.48Å; R428-F484 HydrophobicContact CG-CG 4.09Å; R428-F484 VanDerWaalsContact NH2-CE2 3.32Å; V480-F484 PolarHBondContact O-N 3.13Å; V481-F484 WeakPolarHBondContact O-CB 3.28Å; V481-F484 PolarHBondContact O-N 3.01Å; Q482-F484 PolarHBondContact O-N 3.16Å; F484-W486 VanDerWaalsContact C-N 3.35Å; F484-W486 PolarHBondContact O-N 2.96Å; F484-A487 PolarHBondContact O-N 3.25Å; F484-A487 VanDerWaalsContact O-N 3.14Å; F484-Q488 VanDerWaalsContact CE2-NE2 3.33Å; F484-Q488 WeakPolarHBondContact O-CG 3.45Å; F484-Q488 PolarHBondContact O-N 3.48Å; F484-Q488 PolarHBondContact O-NE2 2.72Å
485	L	98.8	Very high	97.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-41.1	-176.2	-63.9	171.9	0	0	0	112.2	W330 L402 L444 I462 I464 M477 V481 Q482 Q488 P493	W330-L485 HydrophobicContact CE3-CD2 4.28Å; W330-L485 HydrophobicContact CZ3-CD2 3.71Å; L402-L485 HydrophobicContact CD2-CD2 4.3Å; L444-L485 HydrophobicContact CD1-CD1 3.57Å; L444-L485 HydrophobicContact CD1-CD2 4.32Å; L444-L485 HydrophobicContact CD2-CD1 4.33Å; L444-L485 HydrophobicContact CD2-CD2 4.34Å; I462-L485 HydrophobicContact CD1-CD2 4.22Å; I462-L485 HydrophobicContact CG2-CD1 4.45Å; I464-L485 HydrophobicContact CG2-CD1 4.11Å; M477-L485 HydrophobicContact SD-CD1 4.14Å; V481-L485 HydrophobicContact CG1-CD1 4.02Å; V481-L485 HydrophobicContact CG1-CG 4.33Å; V481-L485 WeakPolarHBondContact O-CG 3.27Å; V481-L485 PolarHBondContact O-N 3.18Å; Q482-L485 PolarHBondContact O-N 3.24Å; Q482-L485 VanDerWaalsContact O-N 3.16Å; L485-Q488 PolarHBondContact O-N 3.14Å; L485-P493 HydrophobicContact CB-CG 4.07Å
486	W	98.2	Very high	97.6	Very high	103 Å²	103	32 Å²	32	39%	0.39	16%	0.161	S	C	.	.	H	α-helix	trans	-68.8	-33.5	176.7	-90.9	-99.3	0	0	0	112.8	I464 Q482 F484 Q488 K489 P493	I464-W486 HydrophobicContact CD1-CH2 3.55Å; I464-W486 HydrophobicContact CD1-CZ3 3.58Å; I464-W486 HydrophobicContact CG1-CH2 4.25Å; Q482-W486 HydrophobicContact CB-CE3 3.98Å; Q482-W486 HydrophobicContact CB-CZ3 3.61Å; Q482-W486 HydrophobicContact CG-CZ3 3.85Å; Q482-W486 PolarHBondContact O-N 2.81Å; F484-W486 VanDerWaalsContact C-N 3.35Å; F484-W486 PolarHBondContact O-N 2.96Å; W486-Q488 PolarHBondContact O-N 3.15Å; W486-K489 PolarHBondContact O-N 3.47Å; W486-P493 HydrophobicContact CD2-CB 3.93Å; W486-P493 HydrophobicContact CD2-CG 3.77Å; W486-P493 HydrophobicContact CE3-CB 3.87Å; W486-P493 HydrophobicContact CE3-CG 3.76Å; W486-P493 HydrophobicContact CG-CG 4.16Å; W486-P493 HydrophobicContact CH2-CB 4.01Å; W486-P493 HydrophobicContact CZ2-CB 3.92Å; W486-P493 HydrophobicContact CZ3-CB 3.97Å; W486-P493 HydrophobicContact CZ3-CG 4.32Å
487	A	98.5	Very high	97.8	Very high	15 Å²	15	29 Å²	29	12%	0.124	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-19.8	178.8	0	0	0	0	0	113.4	P291 D483 F484 K489	P291-A487 HydrophobicContact CB-CB 4.49Å; D483-A487 VanDerWaalsContact O-CB 3.29Å; D483-A487 WeakPolarHBondContact O-CB 3.45Å; D483-A487 PolarHBondContact O-N 3.45Å; D483-A487 VanDerWaalsContact O-N 3.13Å; F484-A487 PolarHBondContact O-N 3.25Å; F484-A487 VanDerWaalsContact O-N 3.14Å; A487-K489 VanDerWaalsContact C-N 3.26Å; A487-K489 PolarHBondContact O-N 2.65Å
488	Q	98.6	Very high	97.9	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.023	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-24.4	177	-54.4	-37.9	-63.3	0	0	112.6	P291 P329 W330 F484 L485 W486 V490	P291-Q488 PolarHBondContact O-NE2 3.12Å; P329-Q488 VanDerWaalsContact CA-OE1 3.28Å; P329-Q488 HydrophobicContact CB-CB 3.98Å; P329-Q488 WeakPolarHBondContact CB-O 3.17Å; W330-Q488 HydrophobicContact CB-CG 4.5Å; F484-Q488 VanDerWaalsContact CE2-NE2 3.33Å; F484-Q488 WeakPolarHBondContact O-CG 3.45Å; F484-Q488 PolarHBondContact O-N 3.48Å; F484-Q488 PolarHBondContact O-NE2 2.72Å; L485-Q488 PolarHBondContact O-N 3.14Å; W486-Q488 PolarHBondContact O-N 3.15Å; Q488-V490 WeakPolarHBondContact O-CG1 3.38Å; Q488-V490 PolarHBondContact O-N 3.43Å
489	K	97.4	Very high	97.9	Very high	79 Å²	79	29.1 Å²	29.1	34%	0.343	15%	0.145	S	C	.	.			trans	63.7	-33.7	176.9	-59.4	174.3	-176.7	174.6	0	116.7	W486 A487 Q491 L703	W486-K489 PolarHBondContact O-N 3.47Å; A487-K489 VanDerWaalsContact C-N 3.26Å; A487-K489 PolarHBondContact O-N 2.65Å; K489-Q491 PolarHBondContact O-N 2.83Å; K489-L703 HydrophobicContact CB-CD1 4.18Å
490	V	98.4	Very high	97.8	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.018	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.6	-163.8	-62	0	0	0	0	114.9	W163 P329 I331 L459 Q488 W698 L701	W163-V490 HydrophobicContact CH2-CG1 3.95Å; W163-V490 HydrophobicContact CZ3-CG1 3.99Å; P329-V490 HydrophobicContact CB-CG1 4.48Å; P329-V490 HydrophobicContact CB-CG2 3.99Å; P329-V490 HydrophobicContact CG-CB 4.41Å; P329-V490 HydrophobicContact CG-CG1 3.8Å; P329-V490 HydrophobicContact CG-CG2 3.7Å; I331-V490 HydrophobicContact CD1-CG2 4.33Å; I331-V490 HydrophobicContact CG1-CG2 3.94Å; L459-V490 HydrophobicContact CD1-CB 3.99Å; L459-V490 HydrophobicContact CD1-CG2 4.14Å; Q488-V490 WeakPolarHBondContact O-CG1 3.38Å; Q488-V490 PolarHBondContact O-N 3.43Å; V490-W698 HydrophobicContact CG1-CB 4.38Å; V490-W698 HydrophobicContact CG1-CE3 4.15Å; V490-L701 HydrophobicContact CB-CD1 3.42Å; V490-L701 VanDerWaalsContact CB-CD1 3.42Å; V490-L701 HydrophobicContact CG1-CD1 3.48Å; V490-L701 VanDerWaalsContact CG1-CD1 3.48Å
491	Q	98.6	Very high	97.8	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.014	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	29.5	174.2	-66.1	175	-56.1	0	0	112.1	I331 M332 L459 R461 I462 K489 P493	I331-Q491 HydrophobicContact CG2-CG 4.38Å; M332-Q491 PolarHBondContact O-NE2 2.62Å; L459-Q491 HydrophobicContact CB-CG 3.8Å; L459-Q491 PolarHBondContact O-NE2 2.79Å; R461-Q491 CarbonylContact C-O 3.49Å; R461-Q491 WeakPolarHBondContact CA-O 3.34Å; I462-Q491 HydrophobicContact CD1-CB 3.89Å; I462-Q491 HydrophobicContact CG1-CB 3.76Å; I462-Q491 PolarHBondContact N-O 3Å; K489-Q491 PolarHBondContact O-N 2.83Å; Q491-P493 VanDerWaalsContact O-N 3.14Å
492	E	96.6	Very high	97.7	Very high	70 Å²	70	22.5 Å²	22.5	33%	0.327	11%	0.114	S	C	.	.			trans	-1.5	94.7	176.1	-168.5	178.7	178.3	0	0	115.7	K455 Y457 R461	K455-E492 IonicContact NZ-OE1 3.43Å; K455-E492 IonicContact NZ-OE2 3.66Å; K455-E492 PolarHBondContact NZ-OE2 3.45Å; Y457-E492 HydrophobicContact CE1-CB 3.98Å; Y457-E492 VanDerWaalsContact CE1-OE2 3.22Å; Y457-E492 WeakPolarHBondContact CE1-OE2 3.23Å; Y457-E492 PolarHBondContact OH-OE2 2.9Å; R461-E492 PolarHBondContact NE-O 3.33Å; R461-E492 PolarHBondContact NH2-O 2.73Å
493	P	98.5	Very high	97.7	Very high	8 Å²	8	21.6 Å²	21.6	5%	0.052	11%	0.112	C	C	.	.			trans	-59.3	152.2	-170.3	-25.9	33.8	0	0	0	115.2	I462 L485 W486 Q491	I462-P493 HydrophobicContact CB-CB 4.06Å; I462-P493 HydrophobicContact CB-CG 4.03Å; I462-P493 HydrophobicContact CD1-CG 4.45Å; I462-P493 HydrophobicContact CG2-CB 3.97Å; I462-P493 HydrophobicContact CG2-CG 4.11Å; I462-P493 CarbonylContact O-C 3.38Å; I462-P493 VanDerWaalsContact O-CA 3.3Å; I462-P493 WeakPolarHBondContact O-CA 3.4Å; L485-P493 HydrophobicContact CB-CG 4.07Å; W486-P493 HydrophobicContact CD2-CB 3.93Å; W486-P493 HydrophobicContact CD2-CG 3.77Å; W486-P493 HydrophobicContact CE3-CB 3.87Å; W486-P493 HydrophobicContact CE3-CG 3.76Å; W486-P493 HydrophobicContact CG-CG 4.16Å; W486-P493 HydrophobicContact CH2-CB 4.01Å; W486-P493 HydrophobicContact CZ2-CB 3.92Å; W486-P493 HydrophobicContact CZ3-CB 3.97Å; W486-P493 HydrophobicContact CZ3-CG 4.32Å; Q491-P493 VanDerWaalsContact O-N 3.14Å
494	V	98.5	Very high	97.6	Very high	9 Å²	9	20 Å²	20	6%	0.055	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.6	173.5	179.2	0	0	0	0	108.8	R461 I462 L463 I464 L496 V589 E593	R461-V494 HydrophobicContact CB-CG2 4.44Å; R461-V494 VanDerWaalsContact NH2-CG2 3.3Å; I462-V494 PolarHBondContact O-N 2.72Å; L463-V494 WeakPolarHBondContact CA-O 3.48Å; L463-V494 HydrophobicContact CD2-CB 3.88Å; L463-V494 HydrophobicContact CD2-CG1 4.48Å; L463-V494 HydrophobicContact CD2-CG2 4.37Å; I464-V494 PolarHBondContact N-O 2.94Å; V494-L496 HydrophobicContact CG1-CD2 4.24Å; V494-V589 HydrophobicContact CG1-CG1 3.98Å; V494-E593 HydrophobicContact CG1-CB 3.95Å; V494-E593 HydrophobicContact CG1-CG 3.8Å; V494-E593 HydrophobicContact CG2-CB 3.88Å; V494-E593 HydrophobicContact CG2-CG 4.31Å
495	A	97.5	Very high	97.6	Very high	41 Å²	41	20 Å²	20	34%	0.339	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.2	174.4	0	0	0	0	0	110.7	I464 V466	I464-A495 CarbonylContact O-C 3.59Å; I464-A495 WeakPolarHBondContact O-CA 3.29Å; V466-A495 HydrophobicContact CG1-CB 4.24Å; V466-A495 HydrophobicContact CG2-CB 3.79Å
496	L	98.3	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	159.1	176.3	-61.8	-175.7	0	0	0	109.9	L463 I464 G465 V466 V494 I506 F509 M510 N586 V589 L590	L463-L496 HydrophobicContact CB-CD1 4.07Å; L463-L496 HydrophobicContact CD1-CD1 4.34Å; I464-L496 PolarHBondContact O-N 2.71Å; G465-L496 CarbonylContact C-O 3.54Å; G465-L496 WeakPolarHBondContact CA-O 3.31Å; V466-L496 WeakPolarHBondContact CG2-O 3.48Å; V466-L496 PolarHBondContact N-O 3.39Å; V494-L496 HydrophobicContact CG1-CD2 4.24Å; L496-I506 HydrophobicContact CB-CG2 4.01Å; L496-I506 HydrophobicContact CD1-CB 4.43Å; L496-I506 HydrophobicContact CD1-CD1 4.36Å; L496-I506 HydrophobicContact CD1-CG2 4.1Å; L496-F509 HydrophobicContact CB-CZ 4.44Å; L496-F509 HydrophobicContact CD1-CZ 4.35Å; L496-M510 HydrophobicContact CD1-SD 4.13Å; L496-N586 WeakPolarHBondContact CB-OD1 3.37Å; L496-V589 HydrophobicContact CD2-CB 4.34Å; L496-V589 HydrophobicContact CD2-CG1 3.83Å; L496-L590 HydrophobicContact CD1-CD2 4.05Å; L496-L590 HydrophobicContact CD1-CG 4.48Å; L496-L590 HydrophobicContact CD2-CD2 3.94Å; L496-L590 HydrophobicContact CD2-CG 3.98Å
497	F	97.4	Very high	97.6	Very high	9 Å²	9	15.3 Å²	15.3	4%	0.039	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	107.5	178.1	173.7	-125.2	0	0	0	110.8	V466 F468 D499 W500 C582 W585 N586	V466-F497 WeakPolarHBondContact O-CA 3.43Å; F468-F497 HydrophobicContact CB-CD2 4.32Å; F468-F497 HydrophobicContact CB-CE2 4.17Å; F468-F497 HydrophobicContact CD1-CD2 4.23Å; F468-F497 HydrophobicContact CD1-CG 4.2Å; F468-F497 AromaticContact CD2-CD1 3.86Å; F468-F497 HydrophobicContact CD2-CD1 3.86Å; F468-F497 AromaticContact CD2-CD2 3.72Å; F468-F497 HydrophobicContact CD2-CD2 3.72Å; F468-F497 AromaticContact CD2-CE1 3.44Å; F468-F497 HydrophobicContact CD2-CE1 3.44Å; F468-F497 VanDerWaalsContact CD2-CE1 3.44Å; F468-F497 AromaticContact CD2-CE2 3.29Å; F468-F497 HydrophobicContact CD2-CE2 3.29Å; F468-F497 AromaticContact CD2-CG 3.99Å; F468-F497 HydrophobicContact CD2-CG 3.99Å; F468-F497 AromaticContact CD2-CZ 3.12Å; F468-F497 HydrophobicContact CD2-CZ 3.12Å; F468-F497 HydrophobicContact CE1-CB 4.39Å; F468-F497 HydrophobicContact CE1-CD1 4.02Å; F468-F497 HydrophobicContact CE1-CD2 4.49Å; F468-F497 HydrophobicContact CE1-CE1 4.47Å; F468-F497 HydrophobicContact CE1-CG 4.03Å; F468-F497 AromaticContact CE2-CD1 3.3Å; F468-F497 HydrophobicContact CE2-CD1 3.3Å; F468-F497 HydrophobicContact CE2-CD2 4.05Å; F468-F497 AromaticContact CE2-CE1 2.94Å; F468-F497 HydrophobicContact CE2-CE1 2.94Å; F468-F497 AromaticContact CE2-CE2 3.77Å; F468-F497 HydrophobicContact CE2-CE2 3.77Å; F468-F497 AromaticContact CE2-CG 3.84Å; F468-F497 HydrophobicContact CE2-CG 3.84Å; F468-F497 AromaticContact CE2-CZ 3.2Å; F468-F497 HydrophobicContact CE2-CZ 3.2Å; F468-F497 HydrophobicContact CG-CD1 4.44Å; F468-F497 AromaticContact CG-CD2 3.81Å; F468-F497 HydrophobicContact CG-CD2 3.81Å; F468-F497 HydrophobicContact CG-CE1 4.39Å; F468-F497 AromaticContact CG-CE2 3.76Å; F468-F497 HydrophobicContact CG-CE2 3.76Å; F468-F497 HydrophobicContact CG-CG 4.16Å; F468-F497 HydrophobicContact CG-CZ 4.05Å; F468-F497 AromaticContact CZ-CD1 3.36Å; F468-F497 HydrophobicContact CZ-CD1 3.36Å; F468-F497 HydrophobicContact CZ-CD2 4.4Å; F468-F497 AromaticContact CZ-CE1 3.54Å; F468-F497 HydrophobicContact CZ-CE1 3.54Å; F468-F497 AromaticContact CZ-CG 3.83Å; F468-F497 HydrophobicContact CZ-CG 3.83Å; F468-F497 HydrophobicContact CZ-CZ 4.14Å; F497-D499 HydrophobicContact CE2-CB 4.1Å; F497-W500 AromaticContact CD1-CD1 3.43Å; F497-W500 VanDerWaalsContact CD1-CD1 3.43Å; F497-W500 HydrophobicContact CD1-CG 4.3Å; F497-W500 HydrophobicContact CE1-CB 3.68Å; F497-W500 AromaticContact CE1-CD1 3.23Å; F497-W500 AromaticContact CE1-CG 3.68Å; F497-W500 HydrophobicContact CE1-CG 3.68Å; F497-W500 HydrophobicContact CE2-CB 4.45Å; F497-W500 HydrophobicContact CZ-CB 3.54Å; F497-W500 AromaticContact CZ-CD1 3.66Å; F497-W500 AromaticContact CZ-CG 3.96Å; F497-W500 HydrophobicContact CZ-CG 3.96Å; F497-W500 VanDerWaalsContact O-CD1 3.25Å; F497-W500 PolarHBondContact O-NE1 2.88Å; F497-C582 HydrophobicContact CD1-CB 4.19Å; F497-C582 HydrophobicContact CE1-CB 3.89Å; F497-W585 HydrophobicContact CB-CE3 3.62Å; F497-W585 HydrophobicContact CB-CH2 4.46Å; F497-W585 HydrophobicContact CB-CZ3 3.59Å; F497-N586 PolarHBondContact N-OD1 2.83Å; F497-N586 PolarHBondContact O-ND2 2.86Å
498	S	97.7	Very high	97.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.			trans	-119.9	-13.9	179.8	68.1	0	0	0	0	113.9	G465 V466 W500 L501 G504	G465-S498 WeakPolarHBondContact CA-OG 3.38Å; V466-S498 PolarHBondContact O-N 2.89Å; V466-S498 VanDerWaalsContact O-N 3.07Å; S498-W500 PolarHBondContact O-N 3.28Å; S498-L501 WeakPolarHBondContact O-CB 3.23Å; S498-L501 PolarHBondContact O-N 3.14Å; S498-G504 WeakPolarHBondContact CB-O 3.27Å; S498-G504 WeakPolarHBondContact O-CA 3.3Å; S498-G504 PolarHBondContact OG-O 3.42Å
499	D	95.8	Very high	97.6	Very high	16 Å²	16	15.2 Å²	15.2	9%	0.086	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-5.8	-174	-167	28.7	0	0	0	114.7	V466 A467 G474 R475 F497 L501 R618	V466-D499 PolarHBondContact O-N 3.08Å; A467-D499 HydrophobicContact CB-CB 3.79Å; A467-D499 VanDerWaalsContact CB-OD2 3.28Å; A467-D499 WeakPolarHBondContact CB-OD2 3.41Å; G474-D499 VanDerWaalsContact CA-OD2 3.25Å; G474-D499 WeakPolarHBondContact CA-OD2 3.21Å; R475-D499 IonicContact CZ-OD1 3.75Å; R475-D499 VanDerWaalsContact CZ-OD1 3.23Å; R475-D499 PolarHBondContact N-OD2 2.89Å; R475-D499 IonicContact NE-OD1 2.92Å; R475-D499 PolarHBondContact NE-OD1 3.1Å; R475-D499 PolarHBondContact NH2-O 2.85Å; R475-D499 IonicContact NH2-OD1 3.95Å; R475-D499 PolarHBondContact NH2-OD1 2.72Å; F497-D499 HydrophobicContact CE2-CB 4.1Å; D499-L501 VanDerWaalsContact C-N 3.28Å; D499-R618 PolarHBondContact O-NE 3.48Å; D499-R618 VanDerWaalsContact O-NE 3.15Å; D499-R618 IonicContact OD1-CZ 2.65Å; D499-R618 IonicContact OD1-NE 2.95Å; D499-R618 IonicContact OD1-NH2 2.68Å; D499-R618 PolarHBondContact OD1-NH2 2.93Å; D499-R618 IonicContact OD2-NH2 3.65Å
500	W	95.2	Very high	97.7	Very high	3 Å²	3	11.5 Å²	11.5	1%	0.011	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.6	169	61.1	-81.3	0	0	0	113.3	F497 S498 F509 V579 C582 I583 F608 R618 A619	F497-W500 AromaticContact CD1-CD1 3.43Å; F497-W500 VanDerWaalsContact CD1-CD1 3.43Å; F497-W500 HydrophobicContact CD1-CG 4.3Å; F497-W500 HydrophobicContact CE1-CB 3.68Å; F497-W500 AromaticContact CE1-CD1 3.23Å; F497-W500 AromaticContact CE1-CG 3.68Å; F497-W500 HydrophobicContact CE1-CG 3.68Å; F497-W500 HydrophobicContact CE2-CB 4.45Å; F497-W500 HydrophobicContact CZ-CB 3.54Å; F497-W500 AromaticContact CZ-CD1 3.66Å; F497-W500 AromaticContact CZ-CG 3.96Å; F497-W500 HydrophobicContact CZ-CG 3.96Å; F497-W500 VanDerWaalsContact O-CD1 3.25Å; F497-W500 PolarHBondContact O-NE1 2.88Å; S498-W500 PolarHBondContact O-N 3.28Å; W500-F509 HydrophobicContact CH2-CB 4.33Å; W500-F509 HydrophobicContact CZ2-CB 3.98Å; W500-F509 AromaticContact CZ2-CD1 3.87Å; W500-F509 HydrophobicContact CZ2-CD1 3.87Å; W500-F509 HydrophobicContact CZ2-CG 4.02Å; W500-V579 HydrophobicContact CE3-CG1 4.15Å; W500-V579 HydrophobicContact CE3-CG2 4.1Å; W500-V579 HydrophobicContact CH2-CG1 3.71Å; W500-V579 HydrophobicContact CZ3-CB 4.15Å; W500-V579 HydrophobicContact CZ3-CG1 3.35Å; W500-V579 HydrophobicContact CZ3-CG2 3.91Å; W500-C582 HydrophobicContact CB-CB 4.42Å; W500-C582 HydrophobicContact CD2-CB 3.79Å; W500-C582 HydrophobicContact CE3-CB 4.42Å; W500-C582 HydrophobicContact CG-CB 3.78Å; W500-I583 HydrophobicContact CH2-CD1 4.15Å; W500-I583 HydrophobicContact CH2-CG1 3.99Å; W500-I583 HydrophobicContact CZ2-CG1 3.86Å; W500-F608 HydrophobicContact CH2-CE1 4.28Å; W500-F608 HydrophobicContact CH2-CZ 4.25Å; W500-F608 HydrophobicContact CZ3-CD1 4.31Å; W500-F608 HydrophobicContact CZ3-CE1 4.37Å; W500-R618 CarbonylContact O-C 3.54Å; W500-R618 WeakPolarHBondContact O-CA 3.25Å; W500-A619 HydrophobicContact CE3-CB 3.59Å; W500-A619 HydrophobicContact CZ3-CB 3.61Å; W500-A619 PolarHBondContact O-N 3.19Å
501	L	97.1	Very high	97.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-88.5	144.6	175.3	-71.2	156	0	0	0	111.1	R475 S498 D499 G504 H505 E508 F509 F608 R618 A619	R475-L501 PolarHBondContact NH2-O 3.48Å; S498-L501 WeakPolarHBondContact O-CB 3.23Å; S498-L501 PolarHBondContact O-N 3.14Å; D499-L501 VanDerWaalsContact C-N 3.28Å; L501-G504 WeakPolarHBondContact O-CA 3.21Å; L501-G504 PolarHBondContact O-N 3.24Å; L501-H505 VanDerWaalsContact CD1-O 3.31Å; L501-H505 WeakPolarHBondContact CD1-O 3.49Å; L501-E508 HydrophobicContact CD1-CB 3.66Å; L501-E508 HydrophobicContact CD1-CG 4.34Å; L501-E508 HydrophobicContact CD2-CB 4.41Å; L501-F509 HydrophobicContact CD1-CD1 3.84Å; L501-F608 HydrophobicContact CD2-CD1 4.11Å; L501-F608 HydrophobicContact CD2-CE1 3.77Å; L501-R618 WeakPolarHBondContact O-CD 3.37Å; L501-A619 WeakPolarHBondContact CA-O 3.02Å; L501-A619 HydrophobicContact CD2-CB 4.13Å
502	C	95.6	Very high	97.8	Very high	25 Å²	25	11.5 Å²	11.5	17%	0.169	7%	0.067	C	C	.	.	S	Bend	trans	-58.7	-49.5	178.6	174	0	0	0	0	110.7	R475 E613 R618 A619 V620	R475-C502 PolarHBondContact NH1-O 2.85Å; C502-E613 PolarHBondContact SG-OE1 3.31Å; C502-R618 HydrophobicContact CB-CB 4.15Å; C502-A619 WeakPolarHBondContact CB-O 3.29Å; C502-A619 PolarHBondContact N-O 3.18Å; C502-V620 HydrophobicContact CB-CG1 3.48Å; C502-V620 VanDerWaalsContact CB-CG1 3.48Å
503	V	96.9	Very high	97.9	Very high	30 Å²	30	8.2 Å²	8.2	18%	0.182	5%	0.052	C	C	.	.	S	Bend	trans	-74.1	-45.1	173.6	178.9	0	0	0	0	110.1	S437 H505 E508 L680	S437-V503 WeakPolarHBondContact CB-O 3.36Å; S437-V503 PolarHBondContact OG-O 3.28Å; V503-H505 WeakPolarHBondContact CG1-CE1 3.36Å; V503-H505 WeakPolarHBondContact CG1-NE2 3.34Å; V503-E508 WeakPolarHBondContact CB-OE1 3.42Å; V503-L680 HydrophobicContact CG2-CB 3.75Å; V503-L680 WeakPolarHBondContact CG2-O 3.35Å
504	G	97.1	Very high	97.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.058	C	C	.	.			trans	93.1	27.2	166.8	0	0	0	0	0	113.5	L438 N443 S498 L501 E508	L438-G504 WeakPolarHBondContact CG-O 3.41Å; N443-G504 PolarHBondContact OD1-O 3.18Å; S498-G504 WeakPolarHBondContact CB-O 3.27Å; S498-G504 WeakPolarHBondContact O-CA 3.3Å; S498-G504 PolarHBondContact OG-O 3.42Å; L501-G504 WeakPolarHBondContact O-CA 3.21Å; L501-G504 PolarHBondContact O-N 3.24Å; G504-E508 PolarHBondContact N-OE1 3.28Å
505	H	98.7	Very high	97.8	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	6%	0.06	C	C	.	.			trans	-104.2	156.6	-176.1	-62.3	179.2	0	0	0	111.1	D384 S437 S440 N443 L501 V503 D507 E508	D384-H505 IonicContact OD1-CE1 3.75Å; D384-H505 PolarHBondContact OD1-CE1 2.82Å; D384-H505 IonicContact OD1-ND1 2.72Å; S437-H505 PolarHBondContact O-NE2 3.3Å; S437-H505 PolarHBondContact OG-NE2 2.78Å; S440-H505 VanDerWaalsContact CB-CE1 3.43Å; S440-H505 WeakPolarHBondContact CB-CE1 3.48Å; N443-H505 HydrophobicContact CB-CB 4.21Å; L501-H505 VanDerWaalsContact CD1-O 3.31Å; L501-H505 WeakPolarHBondContact CD1-O 3.49Å; V503-H505 WeakPolarHBondContact CG1-CE1 3.36Å; V503-H505 WeakPolarHBondContact CG1-NE2 3.34Å; H505-D507 VanDerWaalsContact CB-OD1 3.22Å; H505-D507 WeakPolarHBondContact CB-OD1 3.35Å; H505-E508 HydrophobicContact CB-CG 4.18Å; H505-E508 PolarHBondContact N-OE1 3.01Å
506	I	98.8	Very high	97.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-85.8	-24.6	-178.5	57.6	173.3	0	0	0	112.6	N443 E445 L463 L496 E508 F509 M510	N443-I506 PolarHBondContact OD1-N 3.32Å; E445-I506 HydrophobicContact CB-CD1 3.63Å; E445-I506 HydrophobicContact CB-CG1 4.31Å; E445-I506 HydrophobicContact CG-CD1 3.78Å; E445-I506 HydrophobicContact CG-CG1 3.88Å; L463-I506 HydrophobicContact CB-CD1 3.65Å; L463-I506 VanDerWaalsContact O-CD1 3.24Å; L463-I506 WeakPolarHBondContact O-CD1 3.3Å; L496-I506 HydrophobicContact CB-CG2 4.01Å; L496-I506 HydrophobicContact CD1-CB 4.43Å; L496-I506 HydrophobicContact CD1-CD1 4.36Å; L496-I506 HydrophobicContact CD1-CG2 4.1Å; I506-E508 PolarHBondContact O-N 2.93Å; I506-F509 HydrophobicContact CB-CE1 3.98Å; I506-F509 HydrophobicContact CB-CZ 4.13Å; I506-F509 HydrophobicContact CG2-CE1 3.82Å; I506-F509 HydrophobicContact CG2-CZ 3.93Å; I506-F509 PolarHBondContact O-N 2.95Å; I506-M510 HydrophobicContact CB-CG 4.4Å; I506-M510 WeakPolarHBondContact O-CG 3.48Å; I506-M510 PolarHBondContact O-N 2.93Å; I506-M510 VanDerWaalsContact O-N 3.11Å
507	D	98.6	Very high	97.6	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.021	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15	174.4	74.7	-23.2	0	0	0	113.2	G442 H505 N628 H684 C685	G442-D507 WeakPolarHBondContact O-CB 3.26Å; G442-D507 PolarHBondContact O-N 2.99Å; H505-D507 VanDerWaalsContact CB-OD1 3.22Å; H505-D507 WeakPolarHBondContact CB-OD1 3.35Å; D507-N628 PolarHBondContact O-ND2 2.76Å; D507-N628 VanDerWaalsContact O-ND2 3.16Å; D507-N628 PolarHBondContact OD1-ND2 2.71Å; D507-N628 PolarHBondContact OD2-ND2 3.17Å; D507-H684 IonicContact OD2-CE1 3.21Å; D507-H684 IonicContact OD2-CG 3.14Å; D507-H684 IonicContact OD2-ND1 2.92Å; D507-H684 PolarHBondContact OD2-ND1 2.95Å; D507-C685 PolarHBondContact OD2-SG 3.42Å
508	E	98.8	Very high	97.5	Very high	19 Å²	19	21 Å²	21	9%	0.089	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-21	172.9	-66.7	-179.8	-98.6	0	0	113.5	L501 V503 G504 H505 I506 V627	L501-E508 HydrophobicContact CD1-CB 3.66Å; L501-E508 HydrophobicContact CD1-CG 4.34Å; L501-E508 HydrophobicContact CD2-CB 4.41Å; V503-E508 WeakPolarHBondContact CB-OE1 3.42Å; G504-E508 PolarHBondContact N-OE1 3.28Å; H505-E508 HydrophobicContact CB-CG 4.18Å; H505-E508 PolarHBondContact N-OE1 3.01Å; I506-E508 PolarHBondContact O-N 2.93Å; E508-V627 VanDerWaalsContact C-CG1 3.45Å; E508-V627 WeakPolarHBondContact O-CG1 3.46Å
509	F	98.9	Very high	97.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-7	-178	70.5	-95.4	0	0	0	114.3	L496 W500 L501 I506 L525 A526 I583 N586	L496-F509 HydrophobicContact CB-CZ 4.44Å; L496-F509 HydrophobicContact CD1-CZ 4.35Å; W500-F509 HydrophobicContact CH2-CB 4.33Å; W500-F509 HydrophobicContact CZ2-CB 3.98Å; W500-F509 AromaticContact CZ2-CD1 3.87Å; W500-F509 HydrophobicContact CZ2-CD1 3.87Å; W500-F509 HydrophobicContact CZ2-CG 4.02Å; L501-F509 HydrophobicContact CD1-CD1 3.84Å; I506-F509 HydrophobicContact CB-CE1 3.98Å; I506-F509 HydrophobicContact CB-CZ 4.13Å; I506-F509 HydrophobicContact CG2-CE1 3.82Å; I506-F509 HydrophobicContact CG2-CZ 3.93Å; I506-F509 PolarHBondContact O-N 2.95Å; F509-L525 HydrophobicContact CD2-CD2 4.39Å; F509-L525 WeakPolarHBondContact O-CA 3.45Å; F509-A526 HydrophobicContact CB-CB 4.31Å; F509-A526 PolarHBondContact O-N 2.88Å; F509-I583 HydrophobicContact CB-CG1 4.43Å; F509-N586 HydrophobicContact CE2-CB 3.71Å; F509-N586 HydrophobicContact CZ-CB 4.18Å
510	M	98.9	Very high	97.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	148.7	179.8	66	130	-79.9	0	0	113.8	L463 L496 I506 F512 L523 L524 L525 L590	L463-M510 HydrophobicContact CD1-CE 4.15Å; L463-M510 HydrophobicContact CD1-SD 3.71Å; L496-M510 HydrophobicContact CD1-SD 4.13Å; I506-M510 HydrophobicContact CB-CG 4.4Å; I506-M510 WeakPolarHBondContact O-CG 3.48Å; I506-M510 PolarHBondContact O-N 2.93Å; I506-M510 VanDerWaalsContact O-N 3.11Å; M510-F512 HydrophobicContact CE-CD2 3.81Å; M510-F512 HydrophobicContact CE-CE2 3.52Å; M510-F512 HydrophobicContact CE-CZ 4.36Å; M510-F512 HydrophobicContact SD-CE2 4.36Å; M510-L523 HydrophobicContact CB-CD1 4.06Å; M510-L523 HydrophobicContact SD-CD1 4.48Å; M510-L524 VanDerWaalsContact CA-O 3.27Å; M510-L524 WeakPolarHBondContact CA-O 3.48Å; M510-L525 HydrophobicContact CB-CD2 3.63Å; M510-L590 HydrophobicContact SD-CD1 4.45Å
511	T	98.9	Very high	97.7	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	168.4	165.7	-166.8	0	0	0	0	111.1	N335 L524 V627 M629	N335-T511 PolarHBondContact ND2-OG1 2.91Å; T511-L524 HydrophobicContact CG2-CB 3.88Å; T511-L524 HydrophobicContact CG2-CD1 3.88Å; T511-L524 HydrophobicContact CG2-CG 4.08Å; T511-L524 PolarHBondContact N-O 3.05Å; T511-L524 PolarHBondContact O-N 3.49Å; T511-V627 HydrophobicContact CG2-CG2 3.91Å; T511-V627 VanDerWaalsContact CG2-O 3.31Å; T511-V627 WeakPolarHBondContact CG2-O 3.49Å; T511-M629 HydrophobicContact CG2-CE 4.15Å; T511-M629 HydrophobicContact CG2-CG 4.17Å; T511-M629 HydrophobicContact CG2-SD 4.34Å
512	F	98.9	Very high	97.8	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.7	174.2	-64.8	-80.8	0	0	0	111.4	N335 P448 L463 M510 F521 R522 L523 L594	N335-F512 VanDerWaalsContact CB-O 3.28Å; N335-F512 WeakPolarHBondContact CB-O 3.46Å; P448-F512 VanDerWaalsContact CD-CG 3.48Å; P448-F512 HydrophobicContact CG-CB 3.97Å; P448-F512 HydrophobicContact CG-CD1 3.98Å; P448-F512 HydrophobicContact CG-CG 3.94Å; L463-F512 HydrophobicContact CD1-CE2 3.76Å; L463-F512 HydrophobicContact CD1-CZ 4.12Å; M510-F512 HydrophobicContact CE-CD2 3.81Å; M510-F512 HydrophobicContact CE-CE2 3.52Å; M510-F512 HydrophobicContact CE-CZ 4.36Å; M510-F512 HydrophobicContact SD-CE2 4.36Å; F512-F521 AromaticContact CD1-CD2 3.74Å; F512-F521 HydrophobicContact CD1-CD2 3.74Å; F512-F521 AromaticContact CD1-CE2 3.88Å; F512-F521 HydrophobicContact CD1-CE2 3.88Å; F512-F521 HydrophobicContact CE1-CD2 4.22Å; F512-F521 AromaticContact CE1-CE2 3.87Å; F512-F521 HydrophobicContact CE1-CE2 3.87Å; F512-R522 WeakPolarHBondContact CA-O 3.48Å; F512-L523 HydrophobicContact CD1-CB 4.15Å; F512-L523 HydrophobicContact CD1-CD1 4.21Å; F512-L523 HydrophobicContact CE1-CB 3.89Å; F512-L523 HydrophobicContact CE1-CD1 3.77Å; F512-L523 HydrophobicContact CE1-CG 4.34Å; F512-L523 HydrophobicContact CZ-CD1 3.94Å; F512-L594 HydrophobicContact CE1-CD1 4.36Å; F512-L594 HydrophobicContact CZ-CD1 3.81Å
513	V	98.9	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.7	173.1	-65	0	0	0	0	110.9	F521 R522 L524 M629 V631 L636 L663 L665	V513-F521 CarbonylContact O-C 3.13Å; V513-F521 WeakPolarHBondContact O-CA 3.26Å; V513-F521 VanDerWaalsContact O-CB 3.29Å; V513-F521 WeakPolarHBondContact O-CB 3.48Å; V513-R522 HydrophobicContact CG2-CB 4.1Å; V513-R522 PolarHBondContact N-O 3.31Å; V513-R522 PolarHBondContact O-N 2.8Å; V513-L524 HydrophobicContact CG1-CD1 3.68Å; V513-L524 HydrophobicContact CG1-CG 4.29Å; V513-L524 HydrophobicContact CG2-CD1 4.03Å; V513-L524 HydrophobicContact CG2-CD2 3.9Å; V513-L524 HydrophobicContact CG2-CG 4Å; V513-M629 HydrophobicContact CG1-SD 4.29Å; V513-V631 HydrophobicContact CG1-CG1 4.45Å; V513-V631 HydrophobicContact CG1-CG2 4.05Å; V513-L636 HydrophobicContact CG1-CD1 4.38Å; V513-L636 HydrophobicContact CG1-CD2 3.81Å; V513-L663 HydrophobicContact CG2-CD1 4.5Å; V513-L665 HydrophobicContact CB-CD1 3.73Å; V513-L665 HydrophobicContact CG1-CD1 4.39Å; V513-L665 HydrophobicContact CG2-CD1 3.61Å
514	P	98.4	Very high	98	Very high	29 Å²	29	23.9 Å²	23.9	19%	0.188	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	145.3	175.6	28.5	-33.1	0	0	0	110.8	T336 G633 L665	T336-P514 HydrophobicContact CG2-CB 4.43Å; P514-G633 WeakPolarHBondContact CG-O 3.46Å; P514-L665 HydrophobicContact CG-CD2 4.19Å
515	A	97.9	Very high	98.1	Very high	12 Å²	12	23.9 Å²	23.9	10%	0.099	13%	0.13	C	C	.	.			trans	-133.9	146.9	177.6	0	0	0	0	0	109.8	D517 G520 R522 L663	A515-D517 PolarHBondContact O-N 2.94Å; A515-G520 PolarHBondContact N-O 2.91Å; A515-G520 CarbonylContact O-C 3.56Å; A515-G520 VanDerWaalsContact O-CA 3.26Å; A515-G520 WeakPolarHBondContact O-CA 3.37Å; A515-G520 VanDerWaalsContact O-O 3.11Å; A515-R522 HydrophobicContact CB-CG 4.19Å; A515-L663 HydrophobicContact CB-CD2 4.12Å
516	P	96.3	Very high	98.1	Very high	103 Å²	103	23.9 Å²	23.9	67%	0.669	13%	0.13	S	C	*	.	S	Bend	trans	-75.6	-11.6	-177.1	30.8	-35.7	0	0	0	113.8	L663	P516-L663 WeakPolarHBondContact CD-O 3.12Å
517	D	95.8	Very high	98.1	Very high	68 Å²	68	24.1 Å²	24.1	36%	0.364	13%	0.132	S	C	.	.	S	Bend	trans	-124.3	-177.6	-170.8	68.7	-24.9	0	0	0	111.8	A515 K519 G520 R522	A515-D517 PolarHBondContact O-N 2.94Å; D517-K519 PolarHBondContact O-N 3.31Å; D517-G520 WeakPolarHBondContact O-CA 3.39Å; D517-G520 PolarHBondContact O-N 3.14Å; D517-R522 VanDerWaalsContact CG-NH2 3.31Å; D517-R522 IonicContact OD1-CZ 3.66Å; D517-R522 IonicContact OD1-NH1 3.04Å; D517-R522 PolarHBondContact OD1-NH1 3.12Å; D517-R522 IonicContact OD1-NH2 3.77Å; D517-R522 PolarHBondContact OD1-NH2 2.88Å; D517-R522 VanDerWaalsContact OD1-NH2 3.07Å; D517-R522 IonicContact OD2-CZ 3.37Å; D517-R522 IonicContact OD2-NH1 3.64Å; D517-R522 IonicContact OD2-NH2 3.37Å; D517-R522 PolarHBondContact OD2-NH2 2.88Å
518	R	94.4	Very high	98.2	Very high	123 Å²	123	23.9 Å²	23.9	46%	0.464	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-124.6	173.7	-59.7	-73.6	-60.6	-176.4	7.2	111.6	G520 D597 D599 D600	R518-G520 PolarHBondContact O-N 2.9Å; R518-D597 IonicContact CZ-OD1 3.72Å; R518-D597 IonicContact CZ-OD2 2.66Å; R518-D597 IonicContact NH2-OD1 2.8Å; R518-D597 PolarHBondContact NH2-OD1 2.87Å; R518-D597 IonicContact NH2-OD2 3.79Å; R518-D597 PolarHBondContact NH2-OD2 3.34Å; R518-D599 IonicContact NH1-OD2 3.59Å; R518-D600 IonicContact CZ-OD1 3.82Å; R518-D600 IonicContact NE-OD1 3.23Å; R518-D600 PolarHBondContact NE-OD1 3.48Å; R518-D600 IonicContact NH2-OD1 3.54Å; R518-D600 PolarHBondContact NH2-OD1 2.77Å; R518-D600 IonicContact NH2-OD2 2.76Å
519	K	96.6	Very high	98.2	Very high	77 Å²	77	26.9 Å²	26.9	34%	0.335	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	5.3	178.9	-62.8	173.2	-175.7	-92.7	0	113.3	D517 F521 G595 L596 D600	D517-K519 PolarHBondContact O-N 3.31Å; K519-F521 VanDerWaalsContact C-N 3.33Å; K519-F521 HydrophobicContact CB-CD1 3.96Å; K519-F521 HydrophobicContact CB-CE1 3.65Å; K519-F521 HydrophobicContact CB-CZ 4.24Å; K519-F521 HydrophobicContact CD-CE1 4.42Å; K519-F521 HydrophobicContact CD-CZ 4.26Å; K519-F521 WeakPolarHBondContact O-CD1 3.28Å; K519-G595 VanDerWaalsContact CE-O 3.3Å; K519-G595 WeakPolarHBondContact CE-O 3.46Å; K519-G595 PolarHBondContact NZ-O 2.9Å; K519-L596 HydrophobicContact CD-CD2 4.02Å; K519-D600 WeakPolarHBondContact CD-OD2 3.31Å; K519-D600 WeakPolarHBondContact CE-OD2 3.46Å
520	G	97.6	Very high	98.2	Very high	37 Å²	37	28 Å²	28	38%	0.381	16%	0.156	S	C	.	.	S	Bend	trans	84	6	-177.5	0	0	0	0	0	114.2	A515 D517 R518	A515-G520 PolarHBondContact N-O 2.91Å; A515-G520 CarbonylContact O-C 3.56Å; A515-G520 VanDerWaalsContact O-CA 3.26Å; A515-G520 WeakPolarHBondContact O-CA 3.37Å; A515-G520 VanDerWaalsContact O-O 3.11Å; D517-G520 WeakPolarHBondContact O-CA 3.39Å; D517-G520 PolarHBondContact O-N 3.14Å; R518-G520 PolarHBondContact O-N 2.9Å
521	F	98.8	Very high	98.2	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	171.1	179.7	68.3	-92.6	0	0	0	112.2	T336 P448 V450 F512 V513 K519 L596	T336-F521 HydrophobicContact CG2-CB 3.83Å; P448-F521 HydrophobicContact CB-CB 4.48Å; P448-F521 HydrophobicContact CB-CD1 3.54Å; P448-F521 HydrophobicContact CB-CE1 3.75Å; P448-F521 HydrophobicContact CB-CG 3.96Å; P448-F521 HydrophobicContact CB-CZ 4.34Å; P448-F521 HydrophobicContact CG-CB 4.06Å; P448-F521 HydrophobicContact CG-CD1 3.82Å; P448-F521 HydrophobicContact CG-CD2 3.95Å; P448-F521 HydrophobicContact CG-CE1 4.18Å; P448-F521 HydrophobicContact CG-CE2 4.31Å; P448-F521 HydrophobicContact CG-CG 3.69Å; P448-F521 HydrophobicContact CG-CZ 4.41Å; V450-F521 HydrophobicContact CG1-CE1 3.99Å; V450-F521 HydrophobicContact CG1-CZ 3.69Å; F512-F521 AromaticContact CD1-CD2 3.74Å; F512-F521 HydrophobicContact CD1-CD2 3.74Å; F512-F521 AromaticContact CD1-CE2 3.88Å; F512-F521 HydrophobicContact CD1-CE2 3.88Å; F512-F521 HydrophobicContact CE1-CD2 4.22Å; F512-F521 AromaticContact CE1-CE2 3.87Å; F512-F521 HydrophobicContact CE1-CE2 3.87Å; V513-F521 CarbonylContact O-C 3.13Å; V513-F521 WeakPolarHBondContact O-CA 3.26Å; V513-F521 VanDerWaalsContact O-CB 3.29Å; V513-F521 WeakPolarHBondContact O-CB 3.48Å; K519-F521 VanDerWaalsContact C-N 3.33Å; K519-F521 HydrophobicContact CB-CD1 3.96Å; K519-F521 HydrophobicContact CB-CE1 3.65Å; K519-F521 HydrophobicContact CB-CZ 4.24Å; K519-F521 HydrophobicContact CD-CE1 4.42Å; K519-F521 HydrophobicContact CD-CZ 4.26Å; K519-F521 WeakPolarHBondContact O-CD1 3.28Å; F521-L596 HydrophobicContact CE2-CD2 3.85Å; F521-L596 HydrophobicContact CZ-CD2 3.74Å
522	R	98.8	Very high	98.1	Very high	19 Å²	19	28.4 Å²	28.4	7%	0.072	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.6	161.8	-68.8	-61.4	-175	-66.2	-8.2	109.9	F512 V513 A515 D517 L524 D599 D600 I602 L663	F512-R522 WeakPolarHBondContact CA-O 3.48Å; V513-R522 HydrophobicContact CG2-CB 4.1Å; V513-R522 PolarHBondContact N-O 3.31Å; V513-R522 PolarHBondContact O-N 2.8Å; A515-R522 HydrophobicContact CB-CG 4.19Å; D517-R522 VanDerWaalsContact CG-NH2 3.31Å; D517-R522 IonicContact OD1-CZ 3.66Å; D517-R522 IonicContact OD1-NH1 3.04Å; D517-R522 PolarHBondContact OD1-NH1 3.12Å; D517-R522 IonicContact OD1-NH2 3.77Å; D517-R522 PolarHBondContact OD1-NH2 2.88Å; D517-R522 VanDerWaalsContact OD1-NH2 3.07Å; D517-R522 IonicContact OD2-CZ 3.37Å; D517-R522 IonicContact OD2-NH1 3.64Å; D517-R522 IonicContact OD2-NH2 3.37Å; D517-R522 PolarHBondContact OD2-NH2 2.88Å; R522-L524 HydrophobicContact CB-CD2 4.28Å; R522-D599 WeakPolarHBondContact CD-O 3.18Å; R522-D599 PolarHBondContact NE-O 3.11Å; R522-D600 WeakPolarHBondContact CA-O 3.3Å; R522-D600 VanDerWaalsContact CD-C 3.49Å; R522-D600 WeakPolarHBondContact CD-O 3.4Å; R522-I602 HydrophobicContact CB-CD1 4.16Å; R522-I602 HydrophobicContact CB-CG1 4.45Å; R522-I602 HydrophobicContact CG-CD1 3.9Å; R522-I602 HydrophobicContact CG-CG1 4.35Å; R522-L663 HydrophobicContact CB-CD1 4.38Å; R522-L663 HydrophobicContact CG-CD1 3.8Å; R522-L663 HydrophobicContact CG-CD2 4.35Å
523	L	98.9	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.4	163.4	170.2	62.9	0	0	0	107.4	M510 F512 L525 L590 L596 D600 I601 I602	M510-L523 HydrophobicContact CB-CD1 4.06Å; M510-L523 HydrophobicContact SD-CD1 4.48Å; F512-L523 HydrophobicContact CD1-CB 4.15Å; F512-L523 HydrophobicContact CD1-CD1 4.21Å; F512-L523 HydrophobicContact CE1-CB 3.89Å; F512-L523 HydrophobicContact CE1-CD1 3.77Å; F512-L523 HydrophobicContact CE1-CG 4.34Å; F512-L523 HydrophobicContact CZ-CD1 3.94Å; L523-L525 HydrophobicContact CD1-CD2 4.1Å; L523-L525 HydrophobicContact CD2-CD1 4.31Å; L523-L525 HydrophobicContact CD2-CD2 4.19Å; L523-L525 HydrophobicContact CD2-CG 4.18Å; L523-L525 HydrophobicContact CG-CD2 4.15Å; L523-L525 HydrophobicContact CG-CG 4.08Å; L523-L590 HydrophobicContact CD1-CD1 4.4Å; L523-L590 HydrophobicContact CD2-CB 4.07Å; L523-L590 HydrophobicContact CD2-CD1 3.78Å; L523-L590 HydrophobicContact CD2-CG 4.45Å; L523-L596 HydrophobicContact CB-CD1 4.19Å; L523-L596 HydrophobicContact CD2-CD1 3.74Å; L523-D600 PolarHBondContact N-O 3.24Å; L523-I601 HydrophobicContact CB-CG1 4.33Å; L523-I601 HydrophobicContact CD2-CD1 4.21Å; L523-I601 HydrophobicContact CD2-CG1 4.14Å; L523-I601 CarbonylContact O-C 3.53Å; L523-I601 VanDerWaalsContact O-CA 3.31Å; L523-I601 WeakPolarHBondContact O-CA 3.45Å; L523-I602 PolarHBondContact O-N 2.81Å
524	L	98.9	Very high	98.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.3	170.9	-48.9	-172.3	0	0	0	107.8	M510 T511 V513 R522 I602 L604 V627 M629 M660	M510-L524 VanDerWaalsContact CA-O 3.27Å; M510-L524 WeakPolarHBondContact CA-O 3.48Å; T511-L524 HydrophobicContact CG2-CB 3.88Å; T511-L524 HydrophobicContact CG2-CD1 3.88Å; T511-L524 HydrophobicContact CG2-CG 4.08Å; T511-L524 PolarHBondContact N-O 3.05Å; T511-L524 PolarHBondContact O-N 3.49Å; V513-L524 HydrophobicContact CG1-CD1 3.68Å; V513-L524 HydrophobicContact CG1-CG 4.29Å; V513-L524 HydrophobicContact CG2-CD1 4.03Å; V513-L524 HydrophobicContact CG2-CD2 3.9Å; V513-L524 HydrophobicContact CG2-CG 4Å; R522-L524 HydrophobicContact CB-CD2 4.28Å; L524-I602 WeakPolarHBondContact CA-O 3.37Å; L524-I602 HydrophobicContact CD2-CB 3.69Å; L524-I602 HydrophobicContact CD2-CD1 4.17Å; L524-I602 HydrophobicContact CD2-CG1 4.35Å; L524-I602 HydrophobicContact CD2-CG2 4.19Å; L524-L604 HydrophobicContact CB-CD1 4.07Å; L524-L604 HydrophobicContact CB-CG 4.3Å; L524-L604 HydrophobicContact CD1-CD1 4.18Å; L524-V627 HydrophobicContact CB-CG2 4.19Å; L524-M629 HydrophobicContact CD1-CE 3.67Å; L524-M629 HydrophobicContact CD1-SD 4.24Å; L524-M660 HydrophobicContact CD1-CE 4.19Å; L524-M660 HydrophobicContact CD1-SD 4.26Å; L524-M660 HydrophobicContact CD2-CE 3.78Å
525	L	98.9	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.3	174.7	-68.6	178.9	0	0	0	109.9	F509 M510 L523 I583 R587 L590 I601 I602 L604	F509-L525 HydrophobicContact CD2-CD2 4.39Å; F509-L525 WeakPolarHBondContact O-CA 3.45Å; M510-L525 HydrophobicContact CB-CD2 3.63Å; L523-L525 HydrophobicContact CD1-CD2 4.1Å; L523-L525 HydrophobicContact CD2-CD1 4.31Å; L523-L525 HydrophobicContact CD2-CD2 4.19Å; L523-L525 HydrophobicContact CD2-CG 4.18Å; L523-L525 HydrophobicContact CG-CD2 4.15Å; L523-L525 HydrophobicContact CG-CG 4.08Å; L525-I583 HydrophobicContact CB-CG2 4.35Å; L525-I583 HydrophobicContact CD1-CG2 4.42Å; L525-R587 HydrophobicContact CD1-CB 3.81Å; L525-R587 HydrophobicContact CD1-CG 3.71Å; L525-L590 HydrophobicContact CD2-CD1 4.21Å; L525-I601 HydrophobicContact CD1-CG2 3.87Å; L525-I601 HydrophobicContact CG-CG2 4.12Å; L525-I602 PolarHBondContact N-O 3.4Å; L525-L604 PolarHBondContact O-N 3.35Å
526	A	98.9	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	141.7	162.9	0	0	0	0	0	109.9	F509 I583 I606 F608	F509-A526 HydrophobicContact CB-CB 4.31Å; F509-A526 PolarHBondContact O-N 2.88Å; A526-I583 HydrophobicContact CB-CD1 4.11Å; A526-I583 WeakPolarHBondContact O-CD1 3.34Å; A526-I583 WeakPolarHBondContact O-CG2 3.19Å; A526-I606 HydrophobicContact CB-CB 4.07Å; A526-I606 HydrophobicContact CB-CD1 3.69Å; A526-I606 HydrophobicContact CB-CG2 4.29Å; A526-F608 HydrophobicContact CB-CE2 4.03Å; A526-F608 HydrophobicContact CB-CZ 4.11Å
527	S	98.9	Very high	98.3	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	105.2	179.1	176.5	0	0	0	0	111.7	D529 A530 A531 Q580 L604 I606	S527-D529 PolarHBondContact O-N 3.23Å; S527-D529 PolarHBondContact OG-N 3.02Å; S527-A530 PolarHBondContact O-N 3.46Å; S527-A530 PolarHBondContact OG-N 2.91Å; S527-A531 PolarHBondContact O-N 2.83Å; S527-A531 VanDerWaalsContact O-N 3.14Å; S527-Q580 PolarHBondContact OG-OE1 3.23Å; S527-L604 WeakPolarHBondContact CA-O 3.39Å; S527-L604 PolarHBondContact N-O 3.09Å; S527-I606 CarbonylContact C-O 3.57Å; S527-I606 PolarHBondContact O-N 3.02Å
528	P	98.9	Very high	98.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.5	-37	167	-27.4	33.9	0	0	0	113.7	A530 A531 Y532 N576 V579 Q580 I606 L607 F608	P528-A530 VanDerWaalsContact C-N 3.33Å; P528-A530 PolarHBondContact O-N 2.92Å; P528-A531 WeakPolarHBondContact O-CB 3.2Å; P528-A531 PolarHBondContact O-N 3.21Å; P528-A531 VanDerWaalsContact O-N 3.15Å; P528-Y532 WeakPolarHBondContact O-CD2 3.13Å; P528-Y532 PolarHBondContact O-N 3.02Å; P528-N576 HydrophobicContact CB-CB 3.79Å; P528-N576 HydrophobicContact CG-CB 4.38Å; P528-V579 HydrophobicContact CG-CB 4.37Å; P528-V579 HydrophobicContact CG-CG1 3.94Å; P528-Q580 HydrophobicContact CB-CB 4.41Å; P528-Q580 HydrophobicContact CG-CB 4.34Å; P528-I606 WeakPolarHBondContact CA-O 3.38Å; P528-I606 VanDerWaalsContact N-O 3.16Å; P528-L607 HydrophobicContact CB-CD2 4.15Å; P528-F608 HydrophobicContact CG-CD2 4.22Å
529	D	98.8	Very high	98.6	Very high	82 Å²	82	34 Å²	34	44%	0.439	17%	0.173	S	C	.	.	H	α-helix	trans	-61.4	-41.4	176.7	-87.4	-7.2	0	0	0	112.3	S527 A531 K533 Q580	S527-D529 PolarHBondContact O-N 3.23Å; S527-D529 PolarHBondContact OG-N 3.02Å; D529-A531 VanDerWaalsContact C-N 3.35Å; D529-K533 VanDerWaalsContact O-CB 3.28Å; D529-K533 WeakPolarHBondContact O-CB 3.41Å; D529-K533 PolarHBondContact O-N 2.94Å; D529-Q580 HydrophobicContact CB-CG 4.33Å
530	A	98.8	Very high	98.6	Very high	22 Å²	22	36.3 Å²	36.3	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-39.9	174.6	0	0	0	0	0	111.6	S527 P528 K533 L534 D603 P605	S527-A530 PolarHBondContact O-N 3.46Å; S527-A530 PolarHBondContact OG-N 2.91Å; P528-A530 VanDerWaalsContact C-N 3.33Å; P528-A530 PolarHBondContact O-N 2.92Å; A530-K533 PolarHBondContact O-N 2.8Å; A530-L534 WeakPolarHBondContact O-CB 3.49Å; A530-L534 PolarHBondContact O-N 3.19Å; A530-D603 HydrophobicContact CB-CB 4.31Å; A530-P605 HydrophobicContact CB-CB 4.32Å
531	A	98.8	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-49.3	175.9	0	0	0	0	0	112.3	S527 P528 D529 K533 L534 F535 P605 L607	S527-A531 PolarHBondContact O-N 2.83Å; S527-A531 VanDerWaalsContact O-N 3.14Å; P528-A531 WeakPolarHBondContact O-CB 3.2Å; P528-A531 PolarHBondContact O-N 3.21Å; P528-A531 VanDerWaalsContact O-N 3.15Å; D529-A531 VanDerWaalsContact C-N 3.35Å; A531-K533 VanDerWaalsContact C-N 3.28Å; A531-K533 PolarHBondContact O-N 3.46Å; A531-L534 PolarHBondContact O-N 3.31Å; A531-F535 WeakPolarHBondContact O-CB 3.4Å; A531-F535 WeakPolarHBondContact O-CG 3.45Å; A531-F535 PolarHBondContact O-N 3.17Å; A531-P605 HydrophobicContact CB-CB 4.02Å; A531-L607 HydrophobicContact CB-CD2 3.65Å; A531-L607 HydrophobicContact CB-CG 3.7Å
532	Y	98.8	Very high	98.6	Very high	15 Å²	15	43.2 Å²	43.2	6%	0.059	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-32.7	176.3	-86.6	-75.9	0	0	0	112.5	P528 R536 L567 R573 N576 L607	P528-Y532 WeakPolarHBondContact O-CD2 3.13Å; P528-Y532 PolarHBondContact O-N 3.02Å; Y532-R536 WeakPolarHBondContact O-CB 3.17Å; Y532-R536 VanDerWaalsContact O-CG 3.25Å; Y532-R536 WeakPolarHBondContact O-CG 3.42Å; Y532-R536 PolarHBondContact O-N 2.74Å; Y532-R536 PolarHBondContact O-NE 2.6Å; Y532-R536 VanDerWaalsContact O-NE 3.16Å; Y532-L567 HydrophobicContact CD1-CD2 3.8Å; Y532-L567 HydrophobicContact CE1-CD2 4.22Å; Y532-R573 HydrophobicContact CE1-CB 4.44Å; Y532-R573 HydrophobicContact CE1-CG 4.45Å; Y532-R573 WeakPolarHBondContact OH-CA 3.49Å; Y532-R573 PolarHBondContact OH-N 3.49Å; Y532-N576 HydrophobicContact CE2-CB 3.77Å; Y532-L607 HydrophobicContact CD2-CD2 3.73Å; Y532-L607 HydrophobicContact CE2-CD2 3.5Å
533	K	98.8	Very high	98.5	Very high	156 Å²	156	45.2 Å²	45.2	68%	0.678	24%	0.243	S	C	*	.	H	α-helix	trans	-63.9	-48.4	172	-179.3	-175.3	175.4	-170.6	0	111.1	D529 A530 A531 G537	D529-K533 VanDerWaalsContact O-CB 3.28Å; D529-K533 WeakPolarHBondContact O-CB 3.41Å; D529-K533 PolarHBondContact O-N 2.94Å; A530-K533 PolarHBondContact O-N 2.8Å; A531-K533 VanDerWaalsContact C-N 3.28Å; A531-K533 PolarHBondContact O-N 3.46Å; K533-G537 PolarHBondContact O-N 2.72Å
534	L	98.6	Very high	98.4	Very high	33 Å²	33	45.4 Å²	45.4	17%	0.173	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-48.7	177.9	179.4	65.4	0	0	0	111.2	A530 A531 R536 G537 L538 P605 L652 E655	A530-L534 WeakPolarHBondContact O-CB 3.49Å; A530-L534 PolarHBondContact O-N 3.19Å; A531-L534 PolarHBondContact O-N 3.31Å; L534-R536 PolarHBondContact O-N 2.92Å; L534-G537 WeakPolarHBondContact O-CA 3.3Å; L534-G537 PolarHBondContact O-N 2.93Å; L534-G537 VanDerWaalsContact O-N 3.08Å; L534-L538 WeakPolarHBondContact O-CG 3.14Å; L534-L538 PolarHBondContact O-N 2.94Å; L534-P605 HydrophobicContact CD2-CB 4.26Å; L534-P605 HydrophobicContact CD2-CG 4.26Å; L534-L652 HydrophobicContact CD2-CD2 3.65Å; L534-L652 HydrophobicContact CD2-CG 4.43Å; L534-E655 HydrophobicContact CD2-CB 4.22Å
535	F	98.6	Very high	98.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-38.3	-178.1	-70.9	-3	0	0	0	112.8	A531 G537 L538 H539 M548 V563 I566 L567 L607 Y623 P644 L652	A531-F535 WeakPolarHBondContact O-CB 3.4Å; A531-F535 WeakPolarHBondContact O-CG 3.45Å; A531-F535 PolarHBondContact O-N 3.17Å; F535-G537 VanDerWaalsContact C-N 3.3Å; F535-G537 PolarHBondContact O-N 3.42Å; F535-L538 HydrophobicContact CD1-CD1 4.11Å; F535-L538 WeakPolarHBondContact O-CB 3.45Å; F535-L538 PolarHBondContact O-N 2.96Å; F535-H539 PolarHBondContact O-N 3.42Å; F535-M548 HydrophobicContact CE2-SD 4.18Å; F535-M548 HydrophobicContact CZ-SD 3.86Å; F535-V563 HydrophobicContact CB-CG1 4.05Å; F535-V563 WeakPolarHBondContact O-CG1 3.45Å; F535-I566 HydrophobicContact CD2-CD1 4.39Å; F535-I566 HydrophobicContact CD2-CG2 3.91Å; F535-I566 HydrophobicContact CE2-CD1 3.89Å; F535-I566 HydrophobicContact CE2-CG2 4.13Å; F535-L567 HydrophobicContact CB-CD2 4.03Å; F535-L567 HydrophobicContact CB-CG 4.4Å; F535-L607 HydrophobicContact CD2-CD1 4.21Å; F535-L607 HydrophobicContact CE2-CD1 3.66Å; F535-Y623 HydrophobicContact CZ-CE1 4.31Å; F535-P644 HydrophobicContact CD1-CG 4.43Å; F535-P644 HydrophobicContact CE1-CG 3.88Å; F535-P644 HydrophobicContact CZ-CG 4.28Å; F535-L652 HydrophobicContact CE1-CD2 4.13Å; F535-L652 HydrophobicContact CE1-CG 4.38Å; F535-L652 HydrophobicContact CZ-CD1 4.46Å; F535-L652 HydrophobicContact CZ-CD2 4.45Å
536	R	98.7	Very high	98	Very high	139 Å²	139	52.5 Å²	52.5	53%	0.525	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-38.5	169.8	-76.6	-177.6	-69.1	-178.3	-4.3	112.2	Y532 L534 H539 N540 L567	Y532-R536 WeakPolarHBondContact O-CB 3.17Å; Y532-R536 VanDerWaalsContact O-CG 3.25Å; Y532-R536 WeakPolarHBondContact O-CG 3.42Å; Y532-R536 PolarHBondContact O-N 2.74Å; Y532-R536 PolarHBondContact O-NE 2.6Å; Y532-R536 VanDerWaalsContact O-NE 3.16Å; L534-R536 PolarHBondContact O-N 2.92Å; R536-H539 PolarHBondContact O-N 3.32Å; R536-N540 WeakPolarHBondContact O-CB 3.08Å; R536-N540 PolarHBondContact O-N 2.93Å; R536-N540 PolarHBondContact O-ND2 2.95Å; R536-N540 VanDerWaalsContact O-ND2 3.12Å; R536-L567 HydrophobicContact CG-CD1 4.3Å; R536-L567 HydrophobicContact CG-CD2 3.84Å
537	G	98.4	Very high	97.6	Very high	27 Å²	27	56.8 Å²	56.8	28%	0.278	30%	0.299	S	S	.	.	H	α-helix	trans	-57.6	-51.3	172.1	0	0	0	0	0	111.6	K533 L534 F535 H539 N540 D541	K533-G537 PolarHBondContact O-N 2.72Å; L534-G537 WeakPolarHBondContact O-CA 3.3Å; L534-G537 PolarHBondContact O-N 2.93Å; L534-G537 VanDerWaalsContact O-N 3.08Å; F535-G537 VanDerWaalsContact C-N 3.3Å; F535-G537 PolarHBondContact O-N 3.42Å; G537-H539 PolarHBondContact O-N 3.37Å; G537-N540 PolarHBondContact O-N 3.32Å; G537-D541 PolarHBondContact O-N 3.1Å
538	L	98.1	Very high	97.3	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.073	30%	0.297	C	S	.	.	H	α-helix	trans	-57.3	-45.3	176.9	-66.2	-178.1	0	0	0	112.7	L534 F535 D541 G542 H543 V563 P644 V646 A651	L534-L538 WeakPolarHBondContact O-CG 3.14Å; L534-L538 PolarHBondContact O-N 2.94Å; F535-L538 HydrophobicContact CD1-CD1 4.11Å; F535-L538 WeakPolarHBondContact O-CB 3.45Å; F535-L538 PolarHBondContact O-N 2.96Å; L538-D541 PolarHBondContact O-N 3.49Å; L538-G542 PolarHBondContact O-N 2.8Å; L538-H543 HydrophobicContact CB-CB 4.28Å; L538-H543 WeakPolarHBondContact O-CA 3.27Å; L538-H543 VanDerWaalsContact O-CB 3.31Å; L538-H543 WeakPolarHBondContact O-CB 3.47Å; L538-H543 PolarHBondContact O-N 3.42Å; L538-V563 HydrophobicContact CB-CG1 4.35Å; L538-V563 HydrophobicContact CD1-CG2 4.11Å; L538-P644 HydrophobicContact CD1-CB 4.04Å; L538-P644 HydrophobicContact CD1-CG 4.15Å; L538-V646 HydrophobicContact CD2-CG2 3.71Å; L538-A651 HydrophobicContact CD1-CB 3.78Å; L538-A651 HydrophobicContact CD2-CB 4.18Å
539	H	98	Very high	96.7	Very high	86 Å²	86	57.2 Å²	57.2	40%	0.398	30%	0.301	S	S	.	.	I	π-helix	trans	-57.3	-50.8	175.4	173.5	80.7	0	0	0	111.7	F535 R536 G537 D541 G542 V563 D564 L567	F535-H539 PolarHBondContact O-N 3.42Å; R536-H539 PolarHBondContact O-N 3.32Å; G537-H539 PolarHBondContact O-N 3.37Å; H539-D541 PolarHBondContact O-N 3.41Å; H539-G542 PolarHBondContact O-N 3.44Å; H539-V563 HydrophobicContact CB-CG1 4.41Å; H539-D564 IonicContact CE1-OD1 3.46Å; H539-D564 PolarHBondContact CE1-OD1 2.99Å; H539-D564 IonicContact CG-OD1 2.75Å; H539-D564 IonicContact ND1-OD1 3.02Å; H539-D564 PolarHBondContact ND1-OD1 3.45Å; H539-L567 HydrophobicContact CB-CD1 3.67Å
540	N	98.2	Very high	95.6	Very high	124 Å²	124	56.3 Å²	56.3	66%	0.663	30%	0.296	S	S	*	.	I	π-helix	trans	-62.5	-30.7	-178.4	-68.6	-24.9	0	0	0	112.8	R536 G537 G542	R536-N540 WeakPolarHBondContact O-CB 3.08Å; R536-N540 PolarHBondContact O-N 2.93Å; R536-N540 PolarHBondContact O-ND2 2.95Å; R536-N540 VanDerWaalsContact O-ND2 3.12Å; G537-N540 PolarHBondContact O-N 3.32Å; N540-G542 PolarHBondContact O-N 3.42Å
541	D	97.4	Very high	94.1	Very high	121 Å²	121	58.3 Å²	58.3	65%	0.647	32%	0.318	S	S	*	.	I	π-helix	trans	-81.6	4.4	176.5	-67.2	-18.7	0	0	0	113.1	G537 L538 H539	G537-D541 PolarHBondContact O-N 3.1Å; L538-D541 PolarHBondContact O-N 3.49Å; H539-D541 PolarHBondContact O-N 3.41Å
542	G	97.5	Very high	92.9	Very high	65 Å²	65	59.5 Å²	59.5	67%	0.67	32%	0.324	S	S	*	.	I	π-helix	trans	85.6	15.6	177.9	0	0	0	0	0	114.3	L538 H539 N540	L538-G542 PolarHBondContact O-N 2.8Å; H539-G542 PolarHBondContact O-N 3.44Å; N540-G542 PolarHBondContact O-N 3.42Å
543	H	97.5	Very high	90.9	Very high	61 Å²	61	63.4 Å²	63.4	28%	0.282	36%	0.359	S	S	.	.	I	π-helix	trans	-102.7	20	179.6	-57.3	-54.5	0	0	0	113.6	L538 Q545 A546 V646	L538-H543 HydrophobicContact CB-CB 4.28Å; L538-H543 WeakPolarHBondContact O-CA 3.27Å; L538-H543 VanDerWaalsContact O-CB 3.31Å; L538-H543 WeakPolarHBondContact O-CB 3.47Å; L538-H543 PolarHBondContact O-N 3.42Å; H543-Q545 PolarHBondContact O-N 2.98Å; H543-Q545 VanDerWaalsContact O-N 3.15Å; H543-A546 HydrophobicContact CB-CB 4.42Å; H543-A546 WeakPolarHBondContact O-CB 3.45Å; H543-A546 PolarHBondContact O-N 3.13Å; H543-V646 HydrophobicContact CB-CG2 4.15Å; H543-V646 WeakPolarHBondContact NE2-CG1 3.26Å
544	G	96.1	Very high	88.8	Confident	4 Å²	4	59.9 Å²	59.9	4%	0.041	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.9	178.6	0	0	0	0	0	115	A546 V563 D564	G544-A546 VanDerWaalsContact C-N 3.33Å; G544-V563 WeakPolarHBondContact O-CB 3.43Å; G544-V563 PolarHBondContact O-N 3.32Å; G544-V563 VanDerWaalsContact O-N 3.16Å; G544-D564 VanDerWaalsContact C-CG 3.44Å; G544-D564 VanDerWaalsContact CA-CG 3.43Å; G544-D564 WeakPolarHBondContact CA-OD1 3.35Å; G544-D564 WeakPolarHBondContact CA-OD2 3.48Å; G544-D564 PolarHBondContact O-N 2.63Å
545	Q	95.7	Very high	86.8	Confident	134 Å²	134	60.3 Å²	60.3	63%	0.626	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	3.8	178.1	-61.5	-63.2	-61.2	0	0	113.8	H543 K547 D564	H543-Q545 PolarHBondContact O-N 2.98Å; H543-Q545 VanDerWaalsContact O-N 3.15Å; Q545-K547 PolarHBondContact O-N 3.03Å; Q545-D564 PolarHBondContact NE2-OD2 2.8Å
546	A	94.6	Very high	84.4	Confident	15 Å²	15	69.2 Å²	69.2	12%	0.124	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-66.4	132.5	173.8	0	0	0	0	0	109.6	H543 G544 T562 V563 P644	H543-A546 HydrophobicContact CB-CB 4.42Å; H543-A546 WeakPolarHBondContact O-CB 3.45Å; H543-A546 PolarHBondContact O-N 3.13Å; G544-A546 VanDerWaalsContact C-N 3.33Å; A546-T562 WeakPolarHBondContact O-CA 3.4Å; A546-V563 HydrophobicContact CB-CG2 4.5Å; A546-V563 PolarHBondContact O-N 2.93Å; A546-V563 VanDerWaalsContact O-N 3.07Å; A546-P644 HydrophobicContact CB-CB 3.9Å
547	K	91.3	Very high	82.3	Confident	89 Å²	89	69.9 Å²	69.9	39%	0.387	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-97.3	139	-172	-67	174.8	165.5	-166.7	0	112.3	Q545 D550 E560 V561 T562 P644	Q545-K547 PolarHBondContact O-N 3.03Å; K547-D550 HydrophobicContact CB-CB 4.4Å; K547-E560 HydrophobicContact CB-CB 4.41Å; K547-E560 HydrophobicContact CD-CB 4Å; K547-E560 VanDerWaalsContact CD-OE2 3.28Å; K547-E560 WeakPolarHBondContact CD-OE2 3.41Å; K547-E560 WeakPolarHBondContact CE-OE2 3.47Å; K547-E560 HydrophobicContact CG-CB 4.43Å; K547-E560 IonicContact NZ-OE2 3.72Å; K547-E560 PolarHBondContact NZ-OE2 3.19Å; K547-V561 WeakPolarHBondContact CA-O 3.3Å; K547-T562 HydrophobicContact CG-CG2 3.95Å; K547-P644 WeakPolarHBondContact O-CA 3.27Å
548	M	91.1	Very high	80.7	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	43%	0.428	C	S	.	.	S	Bend	trans	-80.2	158.4	161.7	-65.4	-161.7	58.7	0	0	110.6	F535 D550 V561 I566 Y623 P644 L652	F535-M548 HydrophobicContact CE2-SD 4.18Å; F535-M548 HydrophobicContact CZ-SD 3.86Å; M548-D550 PolarHBondContact O-N 2.79Å; M548-V561 PolarHBondContact N-O 3.5Å; M548-I566 HydrophobicContact CG-CD1 4.19Å; M548-I566 HydrophobicContact SD-CD1 3.39Å; M548-I566 WeakPolarHBondContact SD-CD1 3.16Å; M548-Y623 HydrophobicContact CE-CD1 3.25Å; M548-Y623 HydrophobicContact CE-CE1 3.9Å; M548-Y623 HydrophobicContact CE-CG 3.79Å; M548-Y623 HydrophobicContact SD-CD1 4.3Å; M548-P644 HydrophobicContact CG-CG 3.71Å; M548-P644 HydrophobicContact SD-CG 4.33Å; M548-L652 HydrophobicContact CE-CD1 4.36Å
549	F	87.2	Confident	79.4	Confident	15 Å²	15	79.3 Å²	79.3	7%	0.066	46%	0.461	C	S	.	.	S	Bend	trans	61.7	12	175.8	-45.4	-58.9	0	0	0	115.5	G551 I552 Y622 F642 F673	F549-G551 PolarHBondContact O-N 3Å; F549-I552 HydrophobicContact CB-CD1 3.8Å; F549-I552 HydrophobicContact CD1-CD1 3.84Å; F549-I552 HydrophobicContact CG-CD1 4.28Å; F549-I552 WeakPolarHBondContact O-CG1 3.48Å; F549-Y622 HydrophobicContact CE2-CE1 4.17Å; F549-Y622 HydrophobicContact CZ-CD1 4.35Å; F549-Y622 HydrophobicContact CZ-CE1 4.27Å; F549-F642 HydrophobicContact CD1-CB 4.12Å; F549-F642 PolarHBondContact N-O 3.25Å; F549-F673 AromaticContact CD1-CE2 3.93Å; F549-F673 HydrophobicContact CD1-CE2 3.93Å; F549-F673 HydrophobicContact CD1-CZ 4.18Å; F549-F673 AromaticContact CE1-CE2 3.92Å; F549-F673 HydrophobicContact CE1-CE2 3.92Å; F549-F673 HydrophobicContact CE1-CZ 4.4Å
550	D	74.9	Confident	78.8	Confident	63 Å²	63	79.3 Å²	79.3	34%	0.337	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	117.6	178.6	168.5	33.9	0	0	0	111.7	K547 M548 K645	K547-D550 HydrophobicContact CB-CB 4.4Å; M548-D550 PolarHBondContact O-N 2.79Å; D550-K645 VanDerWaalsContact CG-NZ 3.34Å; D550-K645 PolarHBondContact O-NZ 3.09Å; D550-K645 WeakPolarHBondContact OD2-CD 3.43Å; D550-K645 IonicContact OD2-NZ 3.86Å; D550-K645 PolarHBondContact OD2-NZ 3.41Å
551	G	67.6	Low	78.5	Confident	63 Å²	63	74.8 Å²	74.8	65%	0.649	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	21.9	172.9	0	0	0	0	0	115.4	F549 A553	F549-G551 PolarHBondContact O-N 3Å; G551-A553 PolarHBondContact O-N 3.5Å; G551-A553 VanDerWaalsContact O-N 3.1Å
552	I	74.2	Confident	78.3	Confident	25 Å²	25	69.5 Å²	69.5	13%	0.128	41%	0.41	C	S	.	.			trans	-67	107.4	171.2	-60.5	-179.6	0	0	0	109.2	F549 G554 V555 F642 F673	F549-I552 HydrophobicContact CB-CD1 3.8Å; F549-I552 HydrophobicContact CD1-CD1 3.84Å; F549-I552 HydrophobicContact CG-CD1 4.28Å; F549-I552 WeakPolarHBondContact O-CG1 3.48Å; I552-G554 PolarHBondContact O-N 3.27Å; I552-V555 HydrophobicContact CG2-CB 4.2Å; I552-V555 HydrophobicContact CG2-CG2 3.67Å; I552-F642 HydrophobicContact CD1-CB 3.95Å; I552-F642 HydrophobicContact CD1-CD1 3.93Å; I552-F642 HydrophobicContact CD1-CD2 4.14Å; I552-F642 HydrophobicContact CD1-CE1 4.45Å; I552-F642 HydrophobicContact CD1-CG 3.74Å; I552-F642 HydrophobicContact CG1-CB 4.4Å; I552-F642 HydrophobicContact CG1-CD1 3.56Å; I552-F642 HydrophobicContact CG1-CE1 3.87Å; I552-F642 HydrophobicContact CG1-CG 3.93Å; I552-F673 HydrophobicContact CD1-CD1 4.14Å; I552-F673 HydrophobicContact CD1-CD2 4.04Å; I552-F673 HydrophobicContact CD1-CE1 3.87Å; I552-F673 HydrophobicContact CD1-CE2 3.8Å; I552-F673 HydrophobicContact CD1-CG 4.21Å; I552-F673 HydrophobicContact CD1-CZ 3.7Å; I552-F673 HydrophobicContact CG2-CD1 3.97Å; I552-F673 HydrophobicContact CG2-CE1 4.24Å
553	A	56.3	Low	78.3	Confident	97 Å²	97	66.4 Å²	66.4	80%	0.802	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	127.2	-177.9	0	0	0	0	0	111.1	G551	G551-A553 PolarHBondContact O-N 3.5Å; G551-A553 VanDerWaalsContact O-N 3.1Å
554	G	54	Low	78.3	Confident	83 Å²	83	65.7 Å²	65.7	86%	0.856	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.8	-8.4	170.8	0	0	0	0	0	115.8	I552	I552-G554 PolarHBondContact O-N 3.27Å
555	V	58.4	Low	78.4	Confident	41 Å²	41	69.7 Å²	69.7	25%	0.248	40%	0.397	C	S	.	.			trans	-97.9	97.1	174.8	-167.7	0	0	0	0	109.1	I552 E558 F673 A674	I552-V555 HydrophobicContact CG2-CB 4.2Å; I552-V555 HydrophobicContact CG2-CG2 3.67Å; V555-E558 HydrophobicContact CB-CG 4.41Å; V555-E558 HydrophobicContact CG1-CB 4.48Å; V555-E558 HydrophobicContact CG1-CG 3.55Å; V555-F673 HydrophobicContact CG2-CD1 4.07Å; V555-F673 HydrophobicContact CG2-CE1 4.08Å; V555-A674 HydrophobicContact CG2-CB 4.48Å
556	K	47.4	Very low	78.5	Confident	188 Å²	188	63.4 Å²	63.4	82%	0.817	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	122.4	166.2	-65.3	177.9	-178.4	176.9	0	105.8
557	N	54	Low	78.6	Confident	152 Å²	152	64.3 Å²	64.3	81%	0.813	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	107	8.8	171.1	-45.1	-22.5	0	0	0	117.9	E559	N557-E559 PolarHBondContact O-N 2.83Å
558	E	66.1	Low	79	Confident	75 Å²	75	62.7 Å²	62.7	35%	0.35	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-82.7	118.7	164.1	-66.5	-61.8	134.7	0	0	109.2	V555 E560 F673 K678	V555-E558 HydrophobicContact CB-CG 4.41Å; V555-E558 HydrophobicContact CG1-CB 4.48Å; V555-E558 HydrophobicContact CG1-CG 3.55Å; E558-E560 PolarHBondContact O-N 2.8Å; E558-F673 HydrophobicContact CG-CE1 4.21Å; E558-F673 HydrophobicContact CG-CZ 4.22Å; E558-K678 VanDerWaalsContact OE1-CE 3.27Å; E558-K678 WeakPolarHBondContact OE1-CE 3.4Å; E558-K678 IonicContact OE1-NZ 2.72Å; E558-K678 PolarHBondContact OE1-NZ 2.94Å; E558-K678 IonicContact OE2-NZ 2.86Å; E558-K678 PolarHBondContact OE2-NZ 3.33Å
559	E	70.9	Confident	79.3	Confident	164 Å²	164	66 Å²	66	77%	0.766	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-71.8	126.3	174	-66.1	-170.9	164	0	0	108.7	N557 V561	N557-E559 PolarHBondContact O-N 2.83Å; E559-V561 PolarHBondContact O-N 2.87Å
560	E	84.2	Confident	79.8	Confident	87 Å²	87	71.2 Å²	71.2	41%	0.407	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-66.8	116.3	172.7	-64.1	176.1	160.6	0	0	108.7	K547 E558	K547-E560 HydrophobicContact CB-CB 4.41Å; K547-E560 HydrophobicContact CD-CB 4Å; K547-E560 VanDerWaalsContact CD-OE2 3.28Å; K547-E560 WeakPolarHBondContact CD-OE2 3.41Å; K547-E560 WeakPolarHBondContact CE-OE2 3.47Å; K547-E560 HydrophobicContact CG-CB 4.43Å; K547-E560 IonicContact NZ-OE2 3.72Å; K547-E560 PolarHBondContact NZ-OE2 3.19Å; E558-E560 PolarHBondContact O-N 2.8Å
561	V	91.3	Very high	80.9	Confident	29 Å²	29	72.9 Å²	72.9	18%	0.176	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-102.9	134.7	179.2	-174.2	0	0	0	0	109.6	K547 M548 E559 D565 I566	K547-V561 WeakPolarHBondContact CA-O 3.3Å; M548-V561 PolarHBondContact N-O 3.5Å; E559-V561 PolarHBondContact O-N 2.87Å; V561-D565 HydrophobicContact CG1-CB 3.68Å; V561-I566 HydrophobicContact CG1-CD1 4.23Å; V561-I566 HydrophobicContact CG1-CG1 3.64Å
562	T	94.8	Very high	82.3	Confident	9 Å²	9	70.1 Å²	70.1	6%	0.055	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-86.7	162.2	177.5	71	0	0	0	0	111.7	A546 K547 D564 D565 I566	A546-T562 WeakPolarHBondContact O-CA 3.4Å; K547-T562 HydrophobicContact CG-CG2 3.95Å; T562-D564 PolarHBondContact O-N 2.91Å; T562-D565 WeakPolarHBondContact CB-OD2 3.29Å; T562-D565 PolarHBondContact N-OD2 2.74Å; T562-D565 PolarHBondContact O-N 3.48Å; T562-D565 PolarHBondContact OG1-N 2.8Å; T562-D565 VanDerWaalsContact OG1-N 3.16Å; T562-D565 PolarHBondContact OG1-OD2 3.49Å; T562-I566 PolarHBondContact O-N 2.71Å; T562-I566 VanDerWaalsContact O-N 3.16Å
563	V	97.3	Very high	83.4	Confident	0 Å²	0	73 Å²	73	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-56.2	-41	171.6	170.3	0	0	0	0	111.2	F535 L538 H539 G544 A546 D565 I566 L567 P644	F535-V563 HydrophobicContact CB-CG1 4.05Å; F535-V563 WeakPolarHBondContact O-CG1 3.45Å; L538-V563 HydrophobicContact CB-CG1 4.35Å; L538-V563 HydrophobicContact CD1-CG2 4.11Å; H539-V563 HydrophobicContact CB-CG1 4.41Å; G544-V563 WeakPolarHBondContact O-CB 3.43Å; G544-V563 PolarHBondContact O-N 3.32Å; G544-V563 VanDerWaalsContact O-N 3.16Å; A546-V563 HydrophobicContact CB-CG2 4.5Å; A546-V563 PolarHBondContact O-N 2.93Å; A546-V563 VanDerWaalsContact O-N 3.07Å; V563-D565 PolarHBondContact O-N 2.8Å; V563-I566 PolarHBondContact O-N 3.41Å; V563-L567 HydrophobicContact CG1-CD1 3.88Å; V563-L567 HydrophobicContact CG1-CG 4.3Å; V563-L567 VanDerWaalsContact O-CG 3.3Å; V563-L567 WeakPolarHBondContact O-CG 3.16Å; V563-L567 PolarHBondContact O-N 2.84Å; V563-P644 HydrophobicContact CG2-CB 3.75Å; V563-P644 HydrophobicContact CG2-CG 3.52Å
564	D	97.9	Very high	85.4	Confident	47 Å²	47	73 Å²	73	25%	0.251	40%	0.396	S	S	.	.	H	α-helix	trans	-65.5	-37.1	178.8	-70.9	-18.4	0	0	0	112.5	H539 G544 Q545 T562 L567 G568	H539-D564 IonicContact CE1-OD1 3.46Å; H539-D564 PolarHBondContact CE1-OD1 2.99Å; H539-D564 IonicContact CG-OD1 2.75Å; H539-D564 IonicContact ND1-OD1 3.02Å; H539-D564 PolarHBondContact ND1-OD1 3.45Å; G544-D564 VanDerWaalsContact C-CG 3.44Å; G544-D564 VanDerWaalsContact CA-CG 3.43Å; G544-D564 WeakPolarHBondContact CA-OD1 3.35Å; G544-D564 WeakPolarHBondContact CA-OD2 3.48Å; G544-D564 PolarHBondContact O-N 2.63Å; Q545-D564 PolarHBondContact NE2-OD2 2.8Å; T562-D564 PolarHBondContact O-N 2.91Å; D564-L567 PolarHBondContact O-N 2.95Å; D564-G568 PolarHBondContact O-N 2.88Å
565	D	96.9	Very high	87.5	Confident	88 Å²	88	70.5 Å²	70.5	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-63.9	-45.3	175.9	-59.5	-41.9	0	0	0	110.7	V561 T562 V563 L567 G568 D569	V561-D565 HydrophobicContact CG1-CB 3.68Å; T562-D565 WeakPolarHBondContact CB-OD2 3.29Å; T562-D565 PolarHBondContact N-OD2 2.74Å; T562-D565 PolarHBondContact O-N 3.48Å; T562-D565 PolarHBondContact OG1-N 2.8Å; T562-D565 VanDerWaalsContact OG1-N 3.16Å; T562-D565 PolarHBondContact OG1-OD2 3.49Å; V563-D565 PolarHBondContact O-N 2.8Å; D565-L567 PolarHBondContact O-N 3.25Å; D565-G568 PolarHBondContact O-N 3.07Å; D565-D569 PolarHBondContact O-N 3.45Å
566	I	97.2	Very high	89.5	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-43.4	177.8	-65.7	169.5	0	0	0	111.4	F535 M548 V561 T562 V563 G568 D569 L572 L607 Y622	F535-I566 HydrophobicContact CD2-CD1 4.39Å; F535-I566 HydrophobicContact CD2-CG2 3.91Å; F535-I566 HydrophobicContact CE2-CD1 3.89Å; F535-I566 HydrophobicContact CE2-CG2 4.13Å; M548-I566 HydrophobicContact CG-CD1 4.19Å; M548-I566 HydrophobicContact SD-CD1 3.39Å; M548-I566 WeakPolarHBondContact SD-CD1 3.16Å; V561-I566 HydrophobicContact CG1-CD1 4.23Å; V561-I566 HydrophobicContact CG1-CG1 3.64Å; T562-I566 PolarHBondContact O-N 2.71Å; T562-I566 VanDerWaalsContact O-N 3.16Å; V563-I566 PolarHBondContact O-N 3.41Å; I566-G568 VanDerWaalsContact C-N 3.27Å; I566-G568 PolarHBondContact O-N 2.57Å; I566-D569 PolarHBondContact O-N 2.93Å; I566-L572 HydrophobicContact CG2-CD2 4.07Å; I566-L607 HydrophobicContact CG2-CD1 3.86Å; I566-Y622 HydrophobicContact CD1-CE1 4.45Å
567	L	98.3	Very high	91.9	Very high	35 Å²	35	63.1 Å²	63.1	18%	0.183	33%	0.33	C	S	.	.	H	α-helix	trans	-70.4	-26.7	178.9	-68.3	178.5	0	0	0	112.5	Y532 F535 R536 H539 V563 D564 D565	Y532-L567 HydrophobicContact CD1-CD2 3.8Å; Y532-L567 HydrophobicContact CE1-CD2 4.22Å; F535-L567 HydrophobicContact CB-CD2 4.03Å; F535-L567 HydrophobicContact CB-CG 4.4Å; R536-L567 HydrophobicContact CG-CD1 4.3Å; R536-L567 HydrophobicContact CG-CD2 3.84Å; H539-L567 HydrophobicContact CB-CD1 3.67Å; V563-L567 HydrophobicContact CG1-CD1 3.88Å; V563-L567 HydrophobicContact CG1-CG 4.3Å; V563-L567 VanDerWaalsContact O-CG 3.3Å; V563-L567 WeakPolarHBondContact O-CG 3.16Å; V563-L567 PolarHBondContact O-N 2.84Å; D564-L567 PolarHBondContact O-N 2.95Å; D565-L567 PolarHBondContact O-N 3.25Å
568	G	98.1	Very high	94	Very high	55 Å²	55	60.7 Å²	60.7	57%	0.567	31%	0.31	S	S	*	.	H	α-helix	trans	-83.1	-16.2	177.3	0	0	0	0	0	114.7	D564 D565 I566 E570	D564-G568 PolarHBondContact O-N 2.88Å; D565-G568 PolarHBondContact O-N 3.07Å; I566-G568 VanDerWaalsContact C-N 3.27Å; I566-G568 PolarHBondContact O-N 2.57Å; G568-E570 PolarHBondContact O-N 2.77Å
569	D	98	Very high	95.5	Very high	68 Å²	68	57.2 Å²	57.2	36%	0.364	29%	0.294	S	S	.	.			trans	-79.5	101.5	178.3	-169.1	-24.5	0	0	0	111.3	D565 I566 N571 L572 R573	D565-D569 PolarHBondContact O-N 3.45Å; I566-D569 PolarHBondContact O-N 2.93Å; D569-N571 VanDerWaalsContact C-N 3.35Å; D569-N571 PolarHBondContact OD1-N 3.13Å; D569-L572 HydrophobicContact CB-CB 3.92Å; D569-L572 VanDerWaalsContact CG-CB 3.5Å; D569-L572 PolarHBondContact OD1-N 3.07Å; D569-R573 WeakPolarHBondContact O-CB 3.23Å; D569-R573 PolarHBondContact O-N 2.93Å
570	E	97.6	Very high	96.8	Very high	126 Å²	126	49.7 Å²	49.7	59%	0.589	26%	0.259	S	S	*	.	H	α-helix	trans	-68.8	-32.7	179.5	-55.1	-158.3	127.8	0	0	112.9	G568 R573 D574	G568-E570 PolarHBondContact O-N 2.77Å; E570-R573 PolarHBondContact O-N 2.78Å; E570-R573 IonicContact OE1-NH2 3.07Å; E570-R573 PolarHBondContact OE1-NH2 2.72Å; E570-R573 VanDerWaalsContact OE1-NH2 3.14Å; E570-D574 PolarHBondContact O-N 2.99Å
571	N	97.4	Very high	97.5	Very high	97 Å²	97	49.1 Å²	49.1	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-70.3	-48.1	-179.4	-178	71.9	0	0	0	110.4	D569 R573 D574 E575	D569-N571 VanDerWaalsContact C-N 3.35Å; D569-N571 PolarHBondContact OD1-N 3.13Å; N571-R573 PolarHBondContact O-N 2.59Å; N571-D574 PolarHBondContact O-N 3.01Å; N571-D574 VanDerWaalsContact O-N 3.1Å; N571-E575 PolarHBondContact ND2-OE1 2.91Å; N571-E575 WeakPolarHBondContact O-CG 3.22Å; N571-E575 PolarHBondContact O-N 2.9Å
572	L	97.8	Very high	97.8	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-37.6	175.3	-175.6	65.4	0	0	0	111.5	I566 D569 N576 F608 K609 Y622	I566-L572 HydrophobicContact CG2-CD2 4.07Å; D569-L572 HydrophobicContact CB-CB 3.92Å; D569-L572 VanDerWaalsContact CG-CB 3.5Å; D569-L572 PolarHBondContact OD1-N 3.07Å; L572-N576 WeakPolarHBondContact CD1-ND2 3.32Å; L572-N576 WeakPolarHBondContact O-CB 3.46Å; L572-N576 PolarHBondContact O-N 3.01Å; L572-N576 PolarHBondContact O-ND2 2.86Å; L572-F608 VanDerWaalsContact CD1-O 3.26Å; L572-F608 WeakPolarHBondContact CD1-O 3.39Å; L572-K609 HydrophobicContact CD1-CB 4.13Å; L572-Y622 HydrophobicContact CD1-CD2 3.76Å; L572-Y622 HydrophobicContact CD1-CE2 3.91Å; L572-Y622 HydrophobicContact CD2-CD2 4.23Å; L572-Y622 HydrophobicContact CD2-CE2 3.78Å
573	R	98.4	Very high	98	Very high	87 Å²	87	47.5 Å²	47.5	33%	0.328	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-44.2	175.7	-175.7	176.9	64.5	-149.9	-1.6	112.2	Y532 D569 E570 N571 N576 N577	Y532-R573 HydrophobicContact CE1-CB 4.44Å; Y532-R573 HydrophobicContact CE1-CG 4.45Å; Y532-R573 WeakPolarHBondContact OH-CA 3.49Å; Y532-R573 PolarHBondContact OH-N 3.49Å; D569-R573 WeakPolarHBondContact O-CB 3.23Å; D569-R573 PolarHBondContact O-N 2.93Å; E570-R573 PolarHBondContact O-N 2.78Å; E570-R573 IonicContact OE1-NH2 3.07Å; E570-R573 PolarHBondContact OE1-NH2 2.72Å; E570-R573 VanDerWaalsContact OE1-NH2 3.14Å; N571-R573 PolarHBondContact O-N 2.59Å; R573-N576 PolarHBondContact O-N 3.5Å; R573-N577 PolarHBondContact O-N 3.36Å; R573-N577 PolarHBondContact O-ND2 3.08Å; R573-N577 VanDerWaalsContact O-ND2 3.17Å
574	D	98.2	Very high	98.1	Very high	97 Å²	97	50.2 Å²	50.2	52%	0.519	27%	0.269	S	S	.	.	H	α-helix	trans	-66.3	-40.7	178.7	-72.6	-12.5	0	0	0	111.9	E570 N571 N577 Y578	E570-D574 PolarHBondContact O-N 2.99Å; N571-D574 PolarHBondContact O-N 3.01Å; N571-D574 VanDerWaalsContact O-N 3.1Å; D574-N577 PolarHBondContact O-N 2.83Å; D574-Y578 PolarHBondContact O-N 2.81Å; D574-Y578 VanDerWaalsContact O-N 3.15Å
575	E	98.3	Very high	98.1	Very high	30 Å²	30	52.8 Å²	52.8	14%	0.14	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-46.6	172.3	-71.1	177.7	-175.6	0	0	111.9	N571 Y578 V579 K609 L610	N571-E575 PolarHBondContact ND2-OE1 2.91Å; N571-E575 WeakPolarHBondContact O-CG 3.22Å; N571-E575 PolarHBondContact O-N 2.9Å; E575-Y578 WeakPolarHBondContact O-CB 3.39Å; E575-Y578 PolarHBondContact O-N 3.03Å; E575-V579 WeakPolarHBondContact O-CG2 3.46Å; E575-V579 PolarHBondContact O-N 2.75Å; E575-K609 WeakPolarHBondContact OE2-CA 3.47Å; E575-L610 HydrophobicContact CB-CD1 4.32Å; E575-L610 HydrophobicContact CB-CG 3.99Å; E575-L610 HydrophobicContact CG-CB 4.06Å; E575-L610 HydrophobicContact CG-CD1 3.91Å; E575-L610 HydrophobicContact CG-CG 3.78Å; E575-L610 PolarHBondContact OE2-N 2.89Å
576	N	98.8	Very high	98.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-71.9	-29.3	179.9	-84	-80.8	0	0	0	113.3	P528 Y532 L572 R573 Y578 V579 Q580 L607 F608	P528-N576 HydrophobicContact CB-CB 3.79Å; P528-N576 HydrophobicContact CG-CB 4.38Å; Y532-N576 HydrophobicContact CE2-CB 3.77Å; L572-N576 WeakPolarHBondContact CD1-ND2 3.32Å; L572-N576 WeakPolarHBondContact O-CB 3.46Å; L572-N576 PolarHBondContact O-N 3.01Å; L572-N576 PolarHBondContact O-ND2 2.86Å; R573-N576 PolarHBondContact O-N 3.5Å; N576-Y578 VanDerWaalsContact C-N 3.31Å; N576-V579 PolarHBondContact O-N 2.76Å; N576-Q580 WeakPolarHBondContact O-CB 3.48Å; N576-Q580 PolarHBondContact O-N 3.26Å; N576-L607 HydrophobicContact CB-CD2 4.48Å; N576-F608 PolarHBondContact ND2-O 3.37Å; N576-F608 PolarHBondContact OD1-N 3.33Å; N576-F608 PolarHBondContact OD1-O 3.45Å
577	N	98.6	Very high	98.2	Very high	73 Å²	73	50 Å²	50	39%	0.39	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-39.9	170	-72	-31.7	0	0	0	111.2	R573 D574 S581	R573-N577 PolarHBondContact O-N 3.36Å; R573-N577 PolarHBondContact O-ND2 3.08Å; R573-N577 VanDerWaalsContact O-ND2 3.17Å; D574-N577 PolarHBondContact O-N 2.83Å; N577-S581 PolarHBondContact O-N 3.29Å; N577-S581 VanDerWaalsContact O-N 3.16Å; N577-S581 PolarHBondContact O-OG 3.19Å
578	Y	97.5	Very high	98.3	Very high	101 Å²	101	53 Å²	53	40%	0.396	27%	0.274	S	S	.	.	H	α-helix	trans	-63.9	-48.6	173.1	165.5	-105.5	0	0	0	111.3	D574 E575 N576 Q580 S581 C582 L610	D574-Y578 PolarHBondContact O-N 2.81Å; D574-Y578 VanDerWaalsContact O-N 3.15Å; E575-Y578 WeakPolarHBondContact O-CB 3.39Å; E575-Y578 PolarHBondContact O-N 3.03Å; N576-Y578 VanDerWaalsContact C-N 3.31Å; Y578-Q580 PolarHBondContact O-N 2.79Å; Y578-S581 WeakPolarHBondContact O-CA 3.38Å; Y578-S581 VanDerWaalsContact O-CB 3.3Å; Y578-S581 WeakPolarHBondContact O-CB 3.08Å; Y578-S581 PolarHBondContact O-N 2.84Å; Y578-S581 VanDerWaalsContact O-N 3.09Å; Y578-C582 VanDerWaalsContact CZ-SG 3.55Å; Y578-C582 PolarHBondContact O-N 2.91Å; Y578-C582 PolarHBondContact O-SG 3.15Å; Y578-C582 VanDerWaalsContact O-SG 3.37Å; Y578-L610 HydrophobicContact CD1-CD1 4.23Å; Y578-L610 HydrophobicContact CD1-CD2 4.3Å; Y578-L610 HydrophobicContact CE1-CD2 4.37Å
579	V	98.4	Very high	98.3	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-45.7	178.5	169.3	0	0	0	0	112	W500 P528 E575 N576 S581 C582 I583 F608 A619	W500-V579 HydrophobicContact CE3-CG1 4.15Å; W500-V579 HydrophobicContact CE3-CG2 4.1Å; W500-V579 HydrophobicContact CH2-CG1 3.71Å; W500-V579 HydrophobicContact CZ3-CB 4.15Å; W500-V579 HydrophobicContact CZ3-CG1 3.35Å; W500-V579 HydrophobicContact CZ3-CG2 3.91Å; P528-V579 HydrophobicContact CG-CB 4.37Å; P528-V579 HydrophobicContact CG-CG1 3.94Å; E575-V579 WeakPolarHBondContact O-CG2 3.46Å; E575-V579 PolarHBondContact O-N 2.75Å; N576-V579 PolarHBondContact O-N 2.76Å; V579-S581 PolarHBondContact O-N 3.46Å; V579-C582 WeakPolarHBondContact O-CA 3.48Å; V579-C582 WeakPolarHBondContact O-CB 3.22Å; V579-C582 PolarHBondContact O-N 2.97Å; V579-I583 HydrophobicContact CG1-CD1 3.77Å; V579-I583 HydrophobicContact CG1-CG1 4.39Å; V579-I583 WeakPolarHBondContact O-CG1 3.24Å; V579-I583 PolarHBondContact O-N 2.91Å; V579-F608 HydrophobicContact CG1-CB 4.26Å; V579-F608 HydrophobicContact CG1-CD2 3.53Å; V579-F608 HydrophobicContact CG1-CE2 4.02Å; V579-F608 HydrophobicContact CG1-CG 3.92Å; V579-F608 HydrophobicContact CG2-CB 4.05Å; V579-F608 HydrophobicContact CG2-CG 4.5Å; V579-A619 HydrophobicContact CG2-CB 3.84Å
580	Q	98.8	Very high	98.3	Very high	7 Å²	7	47.3 Å²	47.3	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-39.1	175.5	-175.9	64.9	65.3	0	0	111	S527 P528 D529 N576 Y578 C582 I583 D584	S527-Q580 PolarHBondContact OG-OE1 3.23Å; P528-Q580 HydrophobicContact CB-CB 4.41Å; P528-Q580 HydrophobicContact CG-CB 4.34Å; D529-Q580 HydrophobicContact CB-CG 4.33Å; N576-Q580 WeakPolarHBondContact O-CB 3.48Å; N576-Q580 PolarHBondContact O-N 3.26Å; Y578-Q580 PolarHBondContact O-N 2.79Å; Q580-C582 VanDerWaalsContact C-N 3.33Å; Q580-C582 PolarHBondContact O-N 3.36Å; Q580-I583 PolarHBondContact O-N 2.86Å; Q580-D584 PolarHBondContact NE2-OD1 3.26Å; Q580-D584 WeakPolarHBondContact O-CB 3.04Å; Q580-D584 PolarHBondContact O-N 2.98Å
581	S	98.3	Very high	98.4	Very high	75 Å²	75	43.6 Å²	43.6	52%	0.524	21%	0.213	S	C	.	.	H	α-helix	trans	-64.1	-35.7	175.2	-56.9	0	0	0	0	112.9	N577 Y578 V579 W585	N577-S581 PolarHBondContact O-N 3.29Å; N577-S581 VanDerWaalsContact O-N 3.16Å; N577-S581 PolarHBondContact O-OG 3.19Å; Y578-S581 WeakPolarHBondContact O-CA 3.38Å; Y578-S581 VanDerWaalsContact O-CB 3.3Å; Y578-S581 WeakPolarHBondContact O-CB 3.08Å; Y578-S581 PolarHBondContact O-N 2.84Å; Y578-S581 VanDerWaalsContact O-N 3.09Å; V579-S581 PolarHBondContact O-N 3.46Å; S581-W585 PolarHBondContact O-N 2.84Å; S581-W585 VanDerWaalsContact O-N 3.12Å
582	C	97.6	Very high	98.4	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-41.7	173.8	-61.7	0	0	0	0	111.7	F497 W500 Y578 V579 Q580 W585 N586	F497-C582 HydrophobicContact CD1-CB 4.19Å; F497-C582 HydrophobicContact CE1-CB 3.89Å; W500-C582 HydrophobicContact CB-CB 4.42Å; W500-C582 HydrophobicContact CD2-CB 3.79Å; W500-C582 HydrophobicContact CE3-CB 4.42Å; W500-C582 HydrophobicContact CG-CB 3.78Å; Y578-C582 VanDerWaalsContact CZ-SG 3.55Å; Y578-C582 PolarHBondContact O-N 2.91Å; Y578-C582 PolarHBondContact O-SG 3.15Å; Y578-C582 VanDerWaalsContact O-SG 3.37Å; V579-C582 WeakPolarHBondContact O-CA 3.48Å; V579-C582 WeakPolarHBondContact O-CB 3.22Å; V579-C582 PolarHBondContact O-N 2.97Å; Q580-C582 VanDerWaalsContact C-N 3.33Å; Q580-C582 PolarHBondContact O-N 3.36Å; C582-W585 PolarHBondContact O-N 2.79Å; C582-N586 PolarHBondContact O-N 2.9Å; C582-N586 PolarHBondContact O-ND2 3Å
583	I	98.8	Very high	98.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-41.7	177.6	-62.9	166.2	0	0	0	110.7	W500 F509 L525 A526 V579 Q580 W585 N586 R587 F608	W500-I583 HydrophobicContact CH2-CD1 4.15Å; W500-I583 HydrophobicContact CH2-CG1 3.99Å; W500-I583 HydrophobicContact CZ2-CG1 3.86Å; F509-I583 HydrophobicContact CB-CG1 4.43Å; L525-I583 HydrophobicContact CB-CG2 4.35Å; L525-I583 HydrophobicContact CD1-CG2 4.42Å; A526-I583 HydrophobicContact CB-CD1 4.11Å; A526-I583 WeakPolarHBondContact O-CD1 3.34Å; A526-I583 WeakPolarHBondContact O-CG2 3.19Å; V579-I583 HydrophobicContact CG1-CD1 3.77Å; V579-I583 HydrophobicContact CG1-CG1 4.39Å; V579-I583 WeakPolarHBondContact O-CG1 3.24Å; V579-I583 PolarHBondContact O-N 2.91Å; Q580-I583 PolarHBondContact O-N 2.86Å; I583-W585 VanDerWaalsContact C-N 3.3Å; I583-W585 PolarHBondContact O-N 2.93Å; I583-N586 CarbonylContact O-C 3.51Å; I583-N586 WeakPolarHBondContact O-CA 3.42Å; I583-N586 WeakPolarHBondContact O-CB 3.4Å; I583-N586 PolarHBondContact O-N 2.83Å; I583-R587 PolarHBondContact O-N 3Å; I583-F608 HydrophobicContact CD1-CE2 4.35Å
584	D	98.7	Very high	98.5	Very high	57 Å²	57	43.5 Å²	43.5	31%	0.305	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-37.6	177.4	-72.1	-16.6	0	0	0	111.8	Q580 N586 R587 D588	Q580-D584 PolarHBondContact NE2-OD1 3.26Å; Q580-D584 WeakPolarHBondContact O-CB 3.04Å; Q580-D584 PolarHBondContact O-N 2.98Å; D584-N586 VanDerWaalsContact C-N 3.31Å; D584-N586 PolarHBondContact O-N 2.86Å; D584-R587 WeakPolarHBondContact O-CB 3.31Å; D584-R587 PolarHBondContact O-N 3.15Å; D584-D588 PolarHBondContact O-N 3.33Å
585	W	98.1	Very high	98.5	Very high	101 Å²	101	40.2 Å²	40.2	38%	0.383	20%	0.196	S	C	.	.	H	α-helix	trans	-58.8	-46	172	-171.9	94.7	0	0	0	111.2	F468 F497 S581 C582 I583 D588 V589	F468-W585 AromaticContact CE1-CD1 3.98Å; F468-W585 AromaticContact CE1-CD2 3.82Å; F468-W585 HydrophobicContact CE1-CD2 3.82Å; F468-W585 AromaticContact CE1-CE2 3.69Å; F468-W585 HydrophobicContact CE1-CE3 4.39Å; F468-W585 HydrophobicContact CE1-CG 4.02Å; F468-W585 HydrophobicContact CE1-CZ2 4.17Å; F468-W585 AromaticContact CE1-NE1 3.78Å; F468-W585 HydrophobicContact CZ-CD2 4.29Å; F468-W585 HydrophobicContact CZ-CG 4.12Å; F497-W585 HydrophobicContact CB-CE3 3.62Å; F497-W585 HydrophobicContact CB-CH2 4.46Å; F497-W585 HydrophobicContact CB-CZ3 3.59Å; S581-W585 PolarHBondContact O-N 2.84Å; S581-W585 VanDerWaalsContact O-N 3.12Å; C582-W585 PolarHBondContact O-N 2.79Å; I583-W585 VanDerWaalsContact C-N 3.3Å; I583-W585 PolarHBondContact O-N 2.93Å; W585-D588 PolarHBondContact O-N 2.88Å; W585-V589 HydrophobicContact CD2-CG2 4.11Å; W585-V589 HydrophobicContact CE3-CG2 3.73Å; W585-V589 HydrophobicContact CH2-CG2 3.49Å; W585-V589 VanDerWaalsContact CH2-CG2 3.49Å; W585-V589 HydrophobicContact CZ2-CG2 3.87Å; W585-V589 HydrophobicContact CZ3-CB 4.32Å; W585-V589 HydrophobicContact CZ3-CG2 3.4Å; W585-V589 WeakPolarHBondContact O-CG2 3.49Å; W585-V589 PolarHBondContact O-N 3.3Å; W585-V589 VanDerWaalsContact O-N 3.09Å
586	N	98.7	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-39	175.8	-76.6	-66.9	0	0	0	112.5	L496 F497 F509 C582 I583 D584 D588 V589 L590	L496-N586 WeakPolarHBondContact CB-OD1 3.37Å; F497-N586 PolarHBondContact N-OD1 2.83Å; F497-N586 PolarHBondContact O-ND2 2.86Å; F509-N586 HydrophobicContact CE2-CB 3.71Å; F509-N586 HydrophobicContact CZ-CB 4.18Å; C582-N586 PolarHBondContact O-N 2.9Å; C582-N586 PolarHBondContact O-ND2 3Å; I583-N586 CarbonylContact O-C 3.51Å; I583-N586 WeakPolarHBondContact O-CA 3.42Å; I583-N586 WeakPolarHBondContact O-CB 3.4Å; I583-N586 PolarHBondContact O-N 2.83Å; D584-N586 VanDerWaalsContact C-N 3.31Å; D584-N586 PolarHBondContact O-N 2.86Å; N586-D588 VanDerWaalsContact C-N 3.27Å; N586-D588 PolarHBondContact O-N 3.13Å; N586-V589 PolarHBondContact O-N 2.91Å; N586-L590 WeakPolarHBondContact O-CB 3.26Å; N586-L590 VanDerWaalsContact O-CG 3.3Å; N586-L590 WeakPolarHBondContact O-CG 3.44Å; N586-L590 PolarHBondContact O-N 2.88Å
587	R	98.8	Very high	98.4	Very high	32 Å²	32	42.3 Å²	42.3	12%	0.121	21%	0.208	C	C	.	.	H	α-helix	trans	-54.2	-47.1	173.7	-169.7	-165.6	-160	107	2.8	110.2	L525 I583 D584 L590 K591 D598 I601 D603	L525-R587 HydrophobicContact CD1-CB 3.81Å; L525-R587 HydrophobicContact CD1-CG 3.71Å; I583-R587 PolarHBondContact O-N 3Å; D584-R587 WeakPolarHBondContact O-CB 3.31Å; D584-R587 PolarHBondContact O-N 3.15Å; R587-L590 PolarHBondContact O-N 2.87Å; R587-K591 HydrophobicContact CG-CD 4.08Å; R587-K591 WeakPolarHBondContact O-CB 3.07Å; R587-K591 VanDerWaalsContact O-CG 3.25Å; R587-K591 WeakPolarHBondContact O-CG 3.31Å; R587-K591 PolarHBondContact O-N 2.68Å; R587-D598 IonicContact NE-OD1 2.69Å; R587-I601 HydrophobicContact CG-CD1 3.82Å; R587-D603 IonicContact CZ-OD1 3.72Å; R587-D603 IonicContact CZ-OD2 2.69Å; R587-D603 VanDerWaalsContact NH1-CG 3.34Å; R587-D603 IonicContact NH1-OD1 2.65Å; R587-D603 PolarHBondContact NH1-OD1 3.07Å; R587-D603 IonicContact NH1-OD2 2.77Å; R587-D603 PolarHBondContact NH1-OD2 2.66Å; R587-D603 IonicContact NH2-OD1 3.88Å; R587-D603 IonicContact NH2-OD2 3.35Å; R587-D603 PolarHBondContact NH2-OD2 3.07Å
588	D	98.6	Very high	98.4	Very high	97 Å²	97	43 Å²	43	52%	0.519	21%	0.211	S	C	.	.	H	α-helix	trans	-66.7	-38.5	179.1	-77.2	-14.3	0	0	0	112.7	D584 W585 N586 R592	D584-D588 PolarHBondContact O-N 3.33Å; W585-D588 PolarHBondContact O-N 2.88Å; N586-D588 VanDerWaalsContact C-N 3.27Å; N586-D588 PolarHBondContact O-N 3.13Å; D588-R592 WeakPolarHBondContact O-CB 3.42Å; D588-R592 PolarHBondContact O-N 3.33Å; D588-R592 VanDerWaalsContact O-N 3.07Å
589	V	98.5	Very high	98.4	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.024	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-49.8	172.3	175.9	0	0	0	0	110.9	V494 L496 W585 N586 K591 R592 E593	V494-V589 HydrophobicContact CG1-CG1 3.98Å; L496-V589 HydrophobicContact CD2-CB 4.34Å; L496-V589 HydrophobicContact CD2-CG1 3.83Å; W585-V589 HydrophobicContact CD2-CG2 4.11Å; W585-V589 HydrophobicContact CE3-CG2 3.73Å; W585-V589 HydrophobicContact CH2-CG2 3.49Å; W585-V589 VanDerWaalsContact CH2-CG2 3.49Å; W585-V589 HydrophobicContact CZ2-CG2 3.87Å; W585-V589 HydrophobicContact CZ3-CB 4.32Å; W585-V589 HydrophobicContact CZ3-CG2 3.4Å; W585-V589 WeakPolarHBondContact O-CG2 3.49Å; W585-V589 PolarHBondContact O-N 3.3Å; W585-V589 VanDerWaalsContact O-N 3.09Å; N586-V589 PolarHBondContact O-N 2.91Å; V589-K591 PolarHBondContact O-N 2.63Å; V589-R592 PolarHBondContact O-N 3.17Å; V589-E593 HydrophobicContact CG1-CG 3.89Å; V589-E593 VanDerWaalsContact O-CB 3.3Å; V589-E593 WeakPolarHBondContact O-CB 3.48Å; V589-E593 VanDerWaalsContact O-CG 3.29Å; V589-E593 WeakPolarHBondContact O-CG 3.39Å; V589-E593 PolarHBondContact O-N 2.91Å
590	L	98.9	Very high	98.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-44.8	-179.9	-72.2	164.6	0	0	0	111.4	L463 L496 M510 L523 L525 N586 R587 R592 E593 L594	L463-L590 HydrophobicContact CD1-CD2 4.01Å; L463-L590 HydrophobicContact CD2-CD2 4.19Å; L496-L590 HydrophobicContact CD1-CD2 4.05Å; L496-L590 HydrophobicContact CD1-CG 4.48Å; L496-L590 HydrophobicContact CD2-CD2 3.94Å; L496-L590 HydrophobicContact CD2-CG 3.98Å; M510-L590 HydrophobicContact SD-CD1 4.45Å; L523-L590 HydrophobicContact CD1-CD1 4.4Å; L523-L590 HydrophobicContact CD2-CB 4.07Å; L523-L590 HydrophobicContact CD2-CD1 3.78Å; L523-L590 HydrophobicContact CD2-CG 4.45Å; L525-L590 HydrophobicContact CD2-CD1 4.21Å; N586-L590 WeakPolarHBondContact O-CB 3.26Å; N586-L590 VanDerWaalsContact O-CG 3.3Å; N586-L590 WeakPolarHBondContact O-CG 3.44Å; N586-L590 PolarHBondContact O-N 2.88Å; R587-L590 PolarHBondContact O-N 2.87Å; L590-R592 VanDerWaalsContact C-N 3.34Å; L590-R592 PolarHBondContact O-N 2.88Å; L590-E593 PolarHBondContact O-N 3.02Å; L590-L594 HydrophobicContact CD2-CD1 3.63Å; L590-L594 HydrophobicContact CD2-CG 4.4Å; L590-L594 WeakPolarHBondContact O-CA 3.41Å; L590-L594 WeakPolarHBondContact O-CB 3.45Å; L590-L594 PolarHBondContact O-N 2.84Å
591	K	98.8	Very high	98.4	Very high	48 Å²	48	43.5 Å²	43.5	21%	0.209	22%	0.221	C	C	.	.	H	α-helix	trans	-57.3	-46.5	174.5	-74.1	173.1	73.2	169.8	0	111.7	R587 V589 G595 L596 D598 I601	R587-K591 HydrophobicContact CG-CD 4.08Å; R587-K591 WeakPolarHBondContact O-CB 3.07Å; R587-K591 VanDerWaalsContact O-CG 3.25Å; R587-K591 WeakPolarHBondContact O-CG 3.31Å; R587-K591 PolarHBondContact O-N 2.68Å; V589-K591 PolarHBondContact O-N 2.63Å; K591-G595 CarbonylContact O-C 3.6Å; K591-G595 WeakPolarHBondContact O-CA 3.38Å; K591-G595 PolarHBondContact O-N 2.96Å; K591-L596 HydrophobicContact CG-CB 4.23Å; K591-L596 PolarHBondContact O-N 3.31Å; K591-D598 IonicContact NZ-OD1 2.88Å; K591-D598 PolarHBondContact NZ-OD1 2.64Å; K591-D598 IonicContact NZ-OD2 3.11Å; K591-D598 PolarHBondContact NZ-OD2 2.88Å; K591-I601 HydrophobicContact CD-CD1 3.93Å; K591-I601 HydrophobicContact CG-CD1 3.72Å
592	R	98.6	Very high	98.5	Very high	134 Å²	134	41 Å²	41	51%	0.506	20%	0.202	S	C	.	.	H	α-helix	trans	-67.3	-48.6	179.7	-178	-177.5	64.5	-109.9	0.8	112.6	V452 D588 V589 L590	V452-R592 WeakPolarHBondContact CG1-O 3.28Å; D588-R592 WeakPolarHBondContact O-CB 3.42Å; D588-R592 PolarHBondContact O-N 3.33Å; D588-R592 VanDerWaalsContact O-N 3.07Å; V589-R592 PolarHBondContact O-N 3.17Å; L590-R592 VanDerWaalsContact C-N 3.34Å; L590-R592 PolarHBondContact O-N 2.88Å
593	E	98.6	Very high	98.5	Very high	53 Å²	53	43.1 Å²	43.1	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-84.5	-18.7	-169.3	-64.2	-57.8	145.7	0	0	113.7	V452 R461 V494 V589 L590	V452-E593 WeakPolarHBondContact CG2-O 3.24Å; R461-E593 IonicContact CZ-OE2 3.63Å; R461-E593 PolarHBondContact NH1-O 3.15Å; R461-E593 IonicContact NH1-OE2 3.63Å; R461-E593 PolarHBondContact NH1-OE2 2.66Å; R461-E593 IonicContact NH2-OE2 3.42Å; V494-E593 HydrophobicContact CG1-CB 3.95Å; V494-E593 HydrophobicContact CG1-CG 3.8Å; V494-E593 HydrophobicContact CG2-CB 3.88Å; V494-E593 HydrophobicContact CG2-CG 4.31Å; V589-E593 HydrophobicContact CG1-CG 3.89Å; V589-E593 VanDerWaalsContact O-CB 3.3Å; V589-E593 WeakPolarHBondContact O-CB 3.48Å; V589-E593 VanDerWaalsContact O-CG 3.29Å; V589-E593 WeakPolarHBondContact O-CG 3.39Å; V589-E593 PolarHBondContact O-N 2.91Å; L590-E593 PolarHBondContact O-N 3.02Å
594	L	98.8	Very high	98.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-115	-1.5	177.2	-52.6	-179.7	0	0	0	112.7	S447 V450 R461 L463 F512 L590 L596	S447-L594 WeakPolarHBondContact OG-CD2 3.4Å; V450-L594 WeakPolarHBondContact CB-O 3.43Å; V450-L594 HydrophobicContact CG1-CB 4.33Å; V450-L594 HydrophobicContact CG2-CB 4.5Å; V450-L594 HydrophobicContact CG2-CD2 4.19Å; R461-L594 HydrophobicContact CB-CD2 4.03Å; R461-L594 HydrophobicContact CG-CD2 4.3Å; L463-L594 HydrophobicContact CD2-CD2 4.47Å; F512-L594 HydrophobicContact CE1-CD1 4.36Å; F512-L594 HydrophobicContact CZ-CD1 3.81Å; L590-L594 HydrophobicContact CD2-CD1 3.63Å; L590-L594 HydrophobicContact CD2-CG 4.4Å; L590-L594 WeakPolarHBondContact O-CA 3.41Å; L590-L594 WeakPolarHBondContact O-CB 3.45Å; L590-L594 PolarHBondContact O-N 2.84Å; L594-L596 HydrophobicContact CB-CD1 4.15Å; L594-L596 HydrophobicContact CB-CD2 4.15Å; L594-L596 HydrophobicContact CB-CG 3.84Å; L594-L596 HydrophobicContact CD1-CD1 4.25Å
595	G	98.3	Very high	98.5	Very high	27 Å²	27	40.5 Å²	40.5	28%	0.278	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	38.7	177.8	0	0	0	0	0	113	K519 K591	K519-G595 VanDerWaalsContact CE-O 3.3Å; K519-G595 WeakPolarHBondContact CE-O 3.46Å; K519-G595 PolarHBondContact NZ-O 2.9Å; K591-G595 CarbonylContact O-C 3.6Å; K591-G595 WeakPolarHBondContact O-CA 3.38Å; K591-G595 PolarHBondContact O-N 2.96Å
596	L	98.6	Very high	98.6	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.063	18%	0.181	C	C	.	.			trans	-89.2	149.9	-179.3	-48.2	176	0	0	0	110.9	K519 F521 L523 K591 L594 D600	K519-L596 HydrophobicContact CD-CD2 4.02Å; F521-L596 HydrophobicContact CE2-CD2 3.85Å; F521-L596 HydrophobicContact CZ-CD2 3.74Å; L523-L596 HydrophobicContact CB-CD1 4.19Å; L523-L596 HydrophobicContact CD2-CD1 3.74Å; K591-L596 HydrophobicContact CG-CB 4.23Å; K591-L596 PolarHBondContact O-N 3.31Å; L594-L596 HydrophobicContact CB-CD1 4.15Å; L594-L596 HydrophobicContact CB-CD2 4.15Å; L594-L596 HydrophobicContact CB-CG 3.84Å; L594-L596 HydrophobicContact CD1-CD1 4.25Å; L596-D600 HydrophobicContact CB-CB 4.25Å; L596-D600 HydrophobicContact CD2-CB 4.34Å
597	D	97.5	Very high	98.6	Very high	63 Å²	63	35.7 Å²	35.7	34%	0.337	18%	0.181	S	C	.	.			trans	-110.8	177.2	162.7	62.7	38	0	0	0	111.2	R518 D599 D600	R518-D597 IonicContact CZ-OD1 3.72Å; R518-D597 IonicContact CZ-OD2 2.66Å; R518-D597 IonicContact NH2-OD1 2.8Å; R518-D597 PolarHBondContact NH2-OD1 2.87Å; R518-D597 IonicContact NH2-OD2 3.79Å; R518-D597 PolarHBondContact NH2-OD2 3.34Å; D597-D599 PolarHBondContact O-N 2.89Å; D597-D599 WeakPolarHBondContact OD1-CB 3.27Å; D597-D599 PolarHBondContact OD1-N 3.24Å; D597-D599 VanDerWaalsContact OD1-N 3.07Å; D597-D600 PolarHBondContact N-OD2 2.83Å; D597-D600 VanDerWaalsContact N-OD2 3.11Å; D597-D600 WeakPolarHBondContact O-CB 3.41Å; D597-D600 PolarHBondContact O-N 2.9Å; D597-D600 VanDerWaalsContact O-N 3.09Å; D597-D600 PolarHBondContact OD1-N 3.01Å
598	D	98.2	Very high	98.6	Very high	87 Å²	87	34.2 Å²	34.2	47%	0.465	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-66.2	-22.3	-175.8	-65.7	-54	0	0	0	113.1	R587 K591 D600 I601	R587-D598 IonicContact NE-OD1 2.69Å; K591-D598 IonicContact NZ-OD1 2.88Å; K591-D598 PolarHBondContact NZ-OD1 2.64Å; K591-D598 IonicContact NZ-OD2 3.11Å; K591-D598 PolarHBondContact NZ-OD2 2.88Å; D598-D600 PolarHBondContact O-N 3.31Å; D598-I601 PolarHBondContact O-N 2.84Å
599	D	97.6	Very high	98.5	Very high	108 Å²	108	33.3 Å²	33.3	58%	0.578	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-73.8	-17.7	175.8	-66.2	-26.2	0	0	0	112.1	R518 R522 D597 I601	R518-D599 IonicContact NH1-OD2 3.59Å; R522-D599 WeakPolarHBondContact CD-O 3.18Å; R522-D599 PolarHBondContact NE-O 3.11Å; D597-D599 PolarHBondContact O-N 2.89Å; D597-D599 WeakPolarHBondContact OD1-CB 3.27Å; D597-D599 PolarHBondContact OD1-N 3.24Å; D597-D599 VanDerWaalsContact OD1-N 3.07Å; D599-I601 VanDerWaalsContact C-N 3.33Å
600	D	98.5	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-87.3	-3.2	176.4	-54.4	-43	0	0	0	112.5	R518 K519 R522 L523 L596 D597 D598	R518-D600 IonicContact CZ-OD1 3.82Å; R518-D600 IonicContact NE-OD1 3.23Å; R518-D600 PolarHBondContact NE-OD1 3.48Å; R518-D600 IonicContact NH2-OD1 3.54Å; R518-D600 PolarHBondContact NH2-OD1 2.77Å; R518-D600 IonicContact NH2-OD2 2.76Å; K519-D600 WeakPolarHBondContact CD-OD2 3.31Å; K519-D600 WeakPolarHBondContact CE-OD2 3.46Å; R522-D600 WeakPolarHBondContact CA-O 3.3Å; R522-D600 VanDerWaalsContact CD-C 3.49Å; R522-D600 WeakPolarHBondContact CD-O 3.4Å; L523-D600 PolarHBondContact N-O 3.24Å; L596-D600 HydrophobicContact CB-CB 4.25Å; L596-D600 HydrophobicContact CD2-CB 4.34Å; D597-D600 PolarHBondContact N-OD2 2.83Å; D597-D600 VanDerWaalsContact N-OD2 3.11Å; D597-D600 WeakPolarHBondContact O-CB 3.41Å; D597-D600 PolarHBondContact O-N 2.9Å; D597-D600 VanDerWaalsContact O-N 3.09Å; D597-D600 PolarHBondContact OD1-N 3.01Å; D598-D600 PolarHBondContact O-N 3.31Å
601	I	98.9	Very high	98.1	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.062	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.1	-175	-53.4	179.9	0	0	0	110.7	L523 L525 R587 K591 D598 D599	L523-I601 HydrophobicContact CB-CG1 4.33Å; L523-I601 HydrophobicContact CD2-CD1 4.21Å; L523-I601 HydrophobicContact CD2-CG1 4.14Å; L523-I601 CarbonylContact O-C 3.53Å; L523-I601 VanDerWaalsContact O-CA 3.31Å; L523-I601 WeakPolarHBondContact O-CA 3.45Å; L525-I601 HydrophobicContact CD1-CG2 3.87Å; L525-I601 HydrophobicContact CG-CG2 4.12Å; R587-I601 HydrophobicContact CG-CD1 3.82Å; K591-I601 HydrophobicContact CD-CD1 3.93Å; K591-I601 HydrophobicContact CG-CD1 3.72Å; D598-I601 PolarHBondContact O-N 2.84Å; D599-I601 VanDerWaalsContact C-N 3.33Å
602	I	98.9	Very high	97.6	Very high	24 Å²	24	44.9 Å²	44.9	12%	0.123	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.9	171.8	-64.2	175.1	0	0	0	108.9	R522 L523 L524 L525 L604 L659 M660 L663	R522-I602 HydrophobicContact CB-CD1 4.16Å; R522-I602 HydrophobicContact CB-CG1 4.45Å; R522-I602 HydrophobicContact CG-CD1 3.9Å; R522-I602 HydrophobicContact CG-CG1 4.35Å; L523-I602 PolarHBondContact O-N 2.81Å; L524-I602 WeakPolarHBondContact CA-O 3.37Å; L524-I602 HydrophobicContact CD2-CB 3.69Å; L524-I602 HydrophobicContact CD2-CD1 4.17Å; L524-I602 HydrophobicContact CD2-CG1 4.35Å; L524-I602 HydrophobicContact CD2-CG2 4.19Å; L525-I602 PolarHBondContact N-O 3.4Å; I602-L604 HydrophobicContact CG2-CD2 4.1Å; I602-L659 HydrophobicContact CG2-CB 4.07Å; I602-L659 HydrophobicContact CG2-CD1 4Å; I602-L659 HydrophobicContact CG2-CD2 4.24Å; I602-L659 HydrophobicContact CG2-CG 4.33Å; I602-M660 HydrophobicContact CD1-CE 3.94Å; I602-M660 HydrophobicContact CG2-CE 4.07Å; I602-L663 HydrophobicContact CD1-CD1 3.76Å
603	D	98.9	Very high	96.7	Very high	47 Å²	47	41.6 Å²	41.6	25%	0.251	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.7	177.5	-66.6	-63	0	0	0	110.6	A530 R587	A530-D603 HydrophobicContact CB-CB 4.31Å; R587-D603 IonicContact CZ-OD1 3.72Å; R587-D603 IonicContact CZ-OD2 2.69Å; R587-D603 VanDerWaalsContact NH1-CG 3.34Å; R587-D603 IonicContact NH1-OD1 2.65Å; R587-D603 PolarHBondContact NH1-OD1 3.07Å; R587-D603 IonicContact NH1-OD2 2.77Å; R587-D603 PolarHBondContact NH1-OD2 2.66Å; R587-D603 IonicContact NH2-OD1 3.88Å; R587-D603 IonicContact NH2-OD2 3.35Å; R587-D603 PolarHBondContact NH2-OD2 3.07Å
604	L	98.9	Very high	95.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.6	179	-60.8	-171.9	0	0	0	110.6	L524 L525 S527 I602 I606 V627 M629 M656 L659 M660	L524-L604 HydrophobicContact CB-CD1 4.07Å; L524-L604 HydrophobicContact CB-CG 4.3Å; L524-L604 HydrophobicContact CD1-CD1 4.18Å; L525-L604 PolarHBondContact O-N 3.35Å; S527-L604 WeakPolarHBondContact CA-O 3.39Å; S527-L604 PolarHBondContact N-O 3.09Å; I602-L604 HydrophobicContact CG2-CD2 4.1Å; L604-I606 HydrophobicContact CB-CD1 3.85Å; L604-I606 HydrophobicContact CB-CG1 4.44Å; L604-I606 PolarHBondContact O-N 2.91Å; L604-V627 HydrophobicContact CD1-CB 4.26Å; L604-V627 HydrophobicContact CD1-CG2 4.22Å; L604-M629 HydrophobicContact CD1-CE 4.12Å; L604-M656 HydrophobicContact CD1-CE 4.46Å; L604-M656 HydrophobicContact CD1-SD 4.21Å; L604-M656 HydrophobicContact CD2-SD 3.61Å; L604-L659 HydrophobicContact CD2-CD1 3.94Å; L604-M660 HydrophobicContact CD2-CE 4.41Å
605	P	98.7	Very high	94.2	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.013	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	99.3	-179.1	30.1	-34	0	0	0	110.2	A530 A531 L534 Y623 M626 L652 E655	A530-P605 HydrophobicContact CB-CB 4.32Å; A531-P605 HydrophobicContact CB-CB 4.02Å; L534-P605 HydrophobicContact CD2-CB 4.26Å; L534-P605 HydrophobicContact CD2-CG 4.26Å; P605-Y623 PolarHBondContact O-OH 3.35Å; P605-M626 HydrophobicContact CG-CE 4.03Å; P605-M626 VanDerWaalsContact O-CE 3.3Å; P605-M626 WeakPolarHBondContact O-CE 3.24Å; P605-L652 HydrophobicContact CB-CD2 3.83Å; P605-L652 HydrophobicContact CG-CD2 3.77Å; P605-E655 HydrophobicContact CG-CB 4.39Å; P605-E655 HydrophobicContact CG-CG 4.06Å
606	I	98.7	Very high	93.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.			trans	-134	135.5	-179.5	-66.2	154.5	0	0	0	109	A526 S527 P528 L604 F608 Y623 D625 M626 V627	A526-I606 HydrophobicContact CB-CB 4.07Å; A526-I606 HydrophobicContact CB-CD1 3.69Å; A526-I606 HydrophobicContact CB-CG2 4.29Å; S527-I606 CarbonylContact C-O 3.57Å; S527-I606 PolarHBondContact O-N 3.02Å; P528-I606 WeakPolarHBondContact CA-O 3.38Å; P528-I606 VanDerWaalsContact N-O 3.16Å; L604-I606 HydrophobicContact CB-CD1 3.85Å; L604-I606 HydrophobicContact CB-CG1 4.44Å; L604-I606 PolarHBondContact O-N 2.91Å; I606-F608 HydrophobicContact CB-CE2 4.46Å; I606-F608 HydrophobicContact CG2-CD2 4.3Å; I606-F608 HydrophobicContact CG2-CE2 3.62Å; I606-F608 HydrophobicContact CG2-CZ 3.87Å; I606-Y623 WeakPolarHBondContact CA-OH 3.25Å; I606-Y623 PolarHBondContact N-OH 3.21Å; I606-D625 WeakPolarHBondContact CD1-OD1 3.44Å; I606-M626 HydrophobicContact CD1-CB 4.34Å; I606-M626 HydrophobicContact CG1-CB 4.48Å; I606-M626 HydrophobicContact CG1-CE 4.45Å; I606-V627 HydrophobicContact CD1-CB 3.98Å
607	L	98.7	Very high	93	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.293	C	S	.	.			trans	-112.1	153.4	174.1	-68.5	-179.8	0	0	0	110.8	P528 A531 Y532 F535 I566 N576 Y622 Y623	P528-L607 HydrophobicContact CB-CD2 4.15Å; A531-L607 HydrophobicContact CB-CD2 3.65Å; A531-L607 HydrophobicContact CB-CG 3.7Å; Y532-L607 HydrophobicContact CD2-CD2 3.73Å; Y532-L607 HydrophobicContact CE2-CD2 3.5Å; F535-L607 HydrophobicContact CD2-CD1 4.21Å; F535-L607 HydrophobicContact CE2-CD1 3.66Å; I566-L607 HydrophobicContact CG2-CD1 3.86Å; N576-L607 HydrophobicContact CB-CD2 4.48Å; L607-Y622 HydrophobicContact CB-CG 4.48Å; L607-Y622 VanDerWaalsContact O-CB 3.3Å; L607-Y622 WeakPolarHBondContact O-CB 3.49Å; L607-Y622 PolarHBondContact O-N 3.31Å; L607-Y623 HydrophobicContact CB-CD1 4.5Å; L607-Y623 HydrophobicContact CB-CE1 3.76Å; L607-Y623 HydrophobicContact CD1-CE1 4.18Å; L607-Y623 HydrophobicContact CG-CE1 3.99Å; L607-Y623 PolarHBondContact N-OH 2.63Å
608	F	98.6	Very high	92.8	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	169.1	175.5	-65	-97.3	0	0	0	110.1	W500 L501 A526 P528 L572 N576 V579 I583 I606 A619 V620 A621 D625	W500-F608 HydrophobicContact CH2-CE1 4.28Å; W500-F608 HydrophobicContact CH2-CZ 4.25Å; W500-F608 HydrophobicContact CZ3-CD1 4.31Å; W500-F608 HydrophobicContact CZ3-CE1 4.37Å; L501-F608 HydrophobicContact CD2-CD1 4.11Å; L501-F608 HydrophobicContact CD2-CE1 3.77Å; A526-F608 HydrophobicContact CB-CE2 4.03Å; A526-F608 HydrophobicContact CB-CZ 4.11Å; P528-F608 HydrophobicContact CG-CD2 4.22Å; L572-F608 VanDerWaalsContact CD1-O 3.26Å; L572-F608 WeakPolarHBondContact CD1-O 3.39Å; N576-F608 PolarHBondContact ND2-O 3.37Å; N576-F608 PolarHBondContact OD1-N 3.33Å; N576-F608 PolarHBondContact OD1-O 3.45Å; V579-F608 HydrophobicContact CG1-CB 4.26Å; V579-F608 HydrophobicContact CG1-CD2 3.53Å; V579-F608 HydrophobicContact CG1-CE2 4.02Å; V579-F608 HydrophobicContact CG1-CG 3.92Å; V579-F608 HydrophobicContact CG2-CB 4.05Å; V579-F608 HydrophobicContact CG2-CG 4.5Å; I583-F608 HydrophobicContact CD1-CE2 4.35Å; I606-F608 HydrophobicContact CB-CE2 4.46Å; I606-F608 HydrophobicContact CG2-CD2 4.3Å; I606-F608 HydrophobicContact CG2-CE2 3.62Å; I606-F608 HydrophobicContact CG2-CZ 3.87Å; F608-A619 HydrophobicContact CB-CB 4.26Å; F608-A619 HydrophobicContact CD1-CB 4.19Å; F608-V620 CarbonylContact C-O 3.56Å; F608-V620 VanDerWaalsContact CA-O 3.24Å; F608-V620 WeakPolarHBondContact CA-O 3.43Å; F608-V620 WeakPolarHBondContact CB-O 3.35Å; F608-A621 HydrophobicContact CE1-CB 4.44Å; F608-D625 WeakPolarHBondContact CZ-OD2 3.41Å
609	K	96.9	Very high	92.8	Very high	77 Å²	77	50.2 Å²	50.2	34%	0.335	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.1	163.6	56.6	172.8	-170.9	155.3	0	109	L572 E575 E611 A619 V620 Y622	L572-K609 HydrophobicContact CD1-CB 4.13Å; E575-K609 WeakPolarHBondContact OE2-CA 3.47Å; K609-E611 VanDerWaalsContact CE-OE1 3.23Å; K609-E611 WeakPolarHBondContact CE-OE1 3.17Å; K609-E611 IonicContact NZ-OE1 2.89Å; K609-E611 PolarHBondContact NZ-OE1 2.9Å; K609-A619 CarbonylContact O-C 3.49Å; K609-A619 WeakPolarHBondContact O-CA 3.37Å; K609-V620 HydrophobicContact CD-CG2 4.2Å; K609-V620 HydrophobicContact CG-CG2 3.62Å; K609-V620 PolarHBondContact N-O 2.84Å; K609-V620 PolarHBondContact O-N 2.86Å; K609-Y622 HydrophobicContact CB-CD2 4.15Å; K609-Y622 HydrophobicContact CD-CD2 4.43Å; K609-Y622 HydrophobicContact CG-CD2 4.38Å
610	L	96.3	Very high	92.8	Very high	41 Å²	41	45.4 Å²	45.4	22%	0.215	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.7	173.7	-64.5	-173.7	0	0	0	110.9	E575 Y578 R618 A619	E575-L610 HydrophobicContact CB-CD1 4.32Å; E575-L610 HydrophobicContact CB-CG 3.99Å; E575-L610 HydrophobicContact CG-CB 4.06Å; E575-L610 HydrophobicContact CG-CD1 3.91Å; E575-L610 HydrophobicContact CG-CG 3.78Å; E575-L610 PolarHBondContact OE2-N 2.89Å; Y578-L610 HydrophobicContact CD1-CD1 4.23Å; Y578-L610 HydrophobicContact CD1-CD2 4.3Å; Y578-L610 HydrophobicContact CE1-CD2 4.37Å; L610-R618 CarbonylContact C-O 3.34Å; L610-R618 WeakPolarHBondContact CA-O 3.35Å; L610-A619 HydrophobicContact CD2-CB 3.85Å
611	E	93.1	Very high	92.8	Very high	71 Å²	71	46.3 Å²	46.3	33%	0.332	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.3	169.6	-64.9	-166.1	167.1	0	0	109.7	K609 S617 R618 V620	K609-E611 VanDerWaalsContact CE-OE1 3.23Å; K609-E611 WeakPolarHBondContact CE-OE1 3.17Å; K609-E611 IonicContact NZ-OE1 2.89Å; K609-E611 PolarHBondContact NZ-OE1 2.9Å; E611-S617 VanDerWaalsContact O-CA 3.25Å; E611-S617 WeakPolarHBondContact O-CA 3.4Å; E611-R618 PolarHBondContact N-O 3.27Å; E611-R618 PolarHBondContact O-N 3.43Å; E611-V620 HydrophobicContact CG-CG1 4.48Å; E611-V620 HydrophobicContact CG-CG2 3.85Å
612	E	88.8	Confident	92.7	Very high	183 Å²	183	48 Å²	48	86%	0.855	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.9	176.4	-68.5	-172.5	166.9	0	0	110.5
613	E	78.5	Confident	92.5	Very high	65 Å²	65	46.9 Å²	46.9	30%	0.304	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	168.9	168.3	-59.2	-175.9	-162.2	0	0	111.2	C502 D615 G616 R618	C502-E613 PolarHBondContact SG-OE1 3.31Å; E613-D615 PolarHBondContact O-N 2.88Å; E613-D615 VanDerWaalsContact O-N 3.12Å; E613-G616 WeakPolarHBondContact CA-O 3.48Å; E613-G616 VanDerWaalsContact CB-O 3.31Å; E613-G616 WeakPolarHBondContact CB-O 3.39Å; E613-G616 PolarHBondContact N-O 2.89Å; E613-G616 PolarHBondContact O-N 3.28Å; E613-R618 WeakPolarHBondContact OE1-CD 3.39Å; E613-R618 IonicContact OE2-CZ 3.59Å; E613-R618 IonicContact OE2-NH1 3.44Å; E613-R618 PolarHBondContact OE2-NH1 2.8Å
614	E	73.7	Confident	92.5	Very high	204 Å²	204	44.6 Å²	44.6	95%	0.953	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.5	-178.8	-68.4	-171	168	0	0	113.7
615	D	72.2	Confident	92.4	Very high	97 Å²	97	44.9 Å²	44.9	52%	0.519	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	7.4	-175.8	-78.6	-43.3	0	0	0	114	K473 E613	K473-D615 WeakPolarHBondContact CD-OD1 3.4Å; K473-D615 IonicContact NZ-OD1 3.42Å; K473-D615 PolarHBondContact NZ-OD1 2.83Å; E613-D615 PolarHBondContact O-N 2.88Å; E613-D615 VanDerWaalsContact O-N 3.12Å
616	G	81.1	Confident	92.4	Very high	37 Å²	37	44.8 Å²	44.8	38%	0.381	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	141.6	178.4	177.6	0	0	0	0	0	113.2	E613	E613-G616 WeakPolarHBondContact CA-O 3.48Å; E613-G616 VanDerWaalsContact CB-O 3.31Å; E613-G616 WeakPolarHBondContact CB-O 3.39Å; E613-G616 PolarHBondContact N-O 2.89Å; E613-G616 PolarHBondContact O-N 3.28Å
617	S	90.4	Very high	92.4	Very high	62 Å²	62	44.8 Å²	44.8	43%	0.434	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.7	175.3	-53.5	0	0	0	0	111.1	E611	E611-S617 VanDerWaalsContact O-CA 3.25Å; E611-S617 WeakPolarHBondContact O-CA 3.4Å
618	R	94.3	Very high	92.4	Very high	24 Å²	24	44.9 Å²	44.9	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	152	177.7	-70	-173.6	169	114.1	-1.5	111.4	D499 W500 L501 C502 L610 E611 E613	D499-R618 PolarHBondContact O-NE 3.48Å; D499-R618 VanDerWaalsContact O-NE 3.15Å; D499-R618 IonicContact OD1-CZ 2.65Å; D499-R618 IonicContact OD1-NE 2.95Å; D499-R618 IonicContact OD1-NH2 2.68Å; D499-R618 PolarHBondContact OD1-NH2 2.93Å; D499-R618 IonicContact OD2-NH2 3.65Å; W500-R618 CarbonylContact O-C 3.54Å; W500-R618 WeakPolarHBondContact O-CA 3.25Å; L501-R618 WeakPolarHBondContact O-CD 3.37Å; C502-R618 HydrophobicContact CB-CB 4.15Å; L610-R618 CarbonylContact C-O 3.34Å; L610-R618 WeakPolarHBondContact CA-O 3.35Å; E611-R618 PolarHBondContact N-O 3.27Å; E611-R618 PolarHBondContact O-N 3.43Å; E613-R618 WeakPolarHBondContact OE1-CD 3.39Å; E613-R618 IonicContact OE2-CZ 3.59Å; E613-R618 IonicContact OE2-NH1 3.44Å; E613-R618 PolarHBondContact OE2-NH1 2.8Å
619	A	97.3	Very high	92.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.8	-176.2	0	0	0	0	0	112.2	W500 L501 C502 V579 F608 K609 L610	W500-A619 HydrophobicContact CE3-CB 3.59Å; W500-A619 HydrophobicContact CZ3-CB 3.61Å; W500-A619 PolarHBondContact O-N 3.19Å; L501-A619 WeakPolarHBondContact CA-O 3.02Å; L501-A619 HydrophobicContact CD2-CB 4.13Å; C502-A619 WeakPolarHBondContact CB-O 3.29Å; C502-A619 PolarHBondContact N-O 3.18Å; V579-A619 HydrophobicContact CG2-CB 3.84Å; F608-A619 HydrophobicContact CB-CB 4.26Å; F608-A619 HydrophobicContact CD1-CB 4.19Å; K609-A619 CarbonylContact O-C 3.49Å; K609-A619 WeakPolarHBondContact O-CA 3.37Å; L610-A619 HydrophobicContact CD2-CB 3.85Å
620	V	97.9	Very high	92.5	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.9	163.6	-62	0	0	0	0	108.7	C502 F608 K609 E611 Y622 L680	C502-V620 HydrophobicContact CB-CG1 3.48Å; C502-V620 VanDerWaalsContact CB-CG1 3.48Å; F608-V620 CarbonylContact C-O 3.56Å; F608-V620 VanDerWaalsContact CA-O 3.24Å; F608-V620 WeakPolarHBondContact CA-O 3.43Å; F608-V620 WeakPolarHBondContact CB-O 3.35Å; K609-V620 HydrophobicContact CD-CG2 4.2Å; K609-V620 HydrophobicContact CG-CG2 3.62Å; K609-V620 PolarHBondContact N-O 2.84Å; K609-V620 PolarHBondContact O-N 2.86Å; E611-V620 HydrophobicContact CG-CG1 4.48Å; E611-V620 HydrophobicContact CG-CG2 3.85Å; V620-Y622 PolarHBondContact O-N 3.04Å; V620-L680 HydrophobicContact CB-CD2 4.04Å; V620-L680 HydrophobicContact CG1-CD1 4.15Å; V620-L680 HydrophobicContact CG1-CD2 3.76Å
621	A	97.8	Very high	92.6	Very high	20 Å²	20	39.3 Å²	39.3	17%	0.165	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	133.5	177.2	0	0	0	0	0	111	F608 Y623 D625	F608-A621 HydrophobicContact CE1-CB 4.44Å; A621-Y623 WeakPolarHBondContact CB-O 3.27Å; A621-D625 HydrophobicContact CB-CB 4.13Å
622	Y	96.7	Very high	92.9	Very high	47 Å²	47	36 Å²	36	18%	0.184	19%	0.189	C	C	.	.	S	Bend	trans	-76.1	-31.9	180	-172	-84.8	0	0	0	111.9	F549 I566 L572 L607 K609 V620	F549-Y622 HydrophobicContact CE2-CE1 4.17Å; F549-Y622 HydrophobicContact CZ-CD1 4.35Å; F549-Y622 HydrophobicContact CZ-CE1 4.27Å; I566-Y622 HydrophobicContact CD1-CE1 4.45Å; L572-Y622 HydrophobicContact CD1-CD2 3.76Å; L572-Y622 HydrophobicContact CD1-CE2 3.91Å; L572-Y622 HydrophobicContact CD2-CD2 4.23Å; L572-Y622 HydrophobicContact CD2-CE2 3.78Å; L607-Y622 HydrophobicContact CB-CG 4.48Å; L607-Y622 VanDerWaalsContact O-CB 3.3Å; L607-Y622 WeakPolarHBondContact O-CB 3.49Å; L607-Y622 PolarHBondContact O-N 3.31Å; K609-Y622 HydrophobicContact CB-CD2 4.15Å; K609-Y622 HydrophobicContact CD-CD2 4.43Å; K609-Y622 HydrophobicContact CG-CD2 4.38Å; V620-Y622 PolarHBondContact O-N 3.04Å
623	Y	95.9	Very high	93.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-139.6	166.7	170.9	49	-106.1	0	0	0	108.4	F535 M548 P605 I606 L607 A621 D625 P641 L652	F535-Y623 HydrophobicContact CZ-CE1 4.31Å; M548-Y623 HydrophobicContact CE-CD1 3.25Å; M548-Y623 HydrophobicContact CE-CE1 3.9Å; M548-Y623 HydrophobicContact CE-CG 3.79Å; M548-Y623 HydrophobicContact SD-CD1 4.3Å; P605-Y623 PolarHBondContact O-OH 3.35Å; I606-Y623 WeakPolarHBondContact CA-OH 3.25Å; I606-Y623 PolarHBondContact N-OH 3.21Å; L607-Y623 HydrophobicContact CB-CD1 4.5Å; L607-Y623 HydrophobicContact CB-CE1 3.76Å; L607-Y623 HydrophobicContact CD1-CE1 4.18Å; L607-Y623 HydrophobicContact CG-CE1 3.99Å; L607-Y623 PolarHBondContact N-OH 2.63Å; A621-Y623 WeakPolarHBondContact CB-O 3.27Å; Y623-D625 PolarHBondContact O-N 3.11Å; Y623-D625 VanDerWaalsContact O-N 3.17Å; Y623-P641 HydrophobicContact CD2-CB 4.18Å; Y623-L652 HydrophobicContact CD2-CD1 4.14Å; Y623-L652 HydrophobicContact CE1-CD1 4.15Å; Y623-L652 HydrophobicContact CE2-CD1 3.71Å
624	P	97.6	Very high	94.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.			trans	-48.4	123	-176.3	-33.3	38.4	0	0	0	113.4	M626 P639 K640 F642 F673 H677 E682	P624-M626 PolarHBondContact O-N 2.72Å; P624-M626 VanDerWaalsContact O-N 3.15Å; P624-P639 HydrophobicContact CB-CB 3.86Å; P624-K640 WeakPolarHBondContact CB-O 3.14Å; P624-K640 VanDerWaalsContact CG-O 3.28Å; P624-K640 WeakPolarHBondContact CG-O 3.48Å; P624-F642 HydrophobicContact CG-CD2 4.39Å; P624-F673 HydrophobicContact CG-CD2 3.63Å; P624-F673 HydrophobicContact CG-CE2 4.31Å; P624-H677 HydrophobicContact CG-CB 4.03Å; P624-E682 WeakPolarHBondContact CA-OE1 3.16Å; P624-E682 WeakPolarHBondContact CB-OE2 3.33Å
625	D	98	Very high	95.3	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.027	13%	0.125	C	C	.	.			trans	-73	106.1	-172	-163.5	-40.5	0	0	0	111.3	I606 F608 A621 Y623 V627 N628 P639 E682	I606-D625 WeakPolarHBondContact CD1-OD1 3.44Å; F608-D625 WeakPolarHBondContact CZ-OD2 3.41Å; A621-D625 HydrophobicContact CB-CB 4.13Å; Y623-D625 PolarHBondContact O-N 3.11Å; Y623-D625 VanDerWaalsContact O-N 3.17Å; D625-V627 PolarHBondContact O-N 3.4Å; D625-V627 VanDerWaalsContact O-N 3.13Å; D625-V627 WeakPolarHBondContact OD1-CB 3.24Å; D625-V627 WeakPolarHBondContact OD1-CG1 3.41Å; D625-V627 PolarHBondContact OD1-N 2.96Å; D625-N628 HydrophobicContact CB-CB 4.39Å; D625-N628 PolarHBondContact O-N 3.35Å; D625-P639 VanDerWaalsContact O-CG 3.22Å; D625-P639 WeakPolarHBondContact O-CG 3.49Å; D625-E682 HydrophobicContact CB-CG 3.9Å; D625-E682 VanDerWaalsContact N-CD 3.29Å; D625-E682 PolarHBondContact N-OE1 3.17Å; D625-E682 VanDerWaalsContact N-OE1 3.09Å
626	M	98.7	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.4	-177.6	-67.4	-172.7	-68.3	0	0	113.8	P605 I606 P624 M629 I638 P641 L652 M656 F669	P605-M626 HydrophobicContact CG-CE 4.03Å; P605-M626 VanDerWaalsContact O-CE 3.3Å; P605-M626 WeakPolarHBondContact O-CE 3.24Å; I606-M626 HydrophobicContact CD1-CB 4.34Å; I606-M626 HydrophobicContact CG1-CB 4.48Å; I606-M626 HydrophobicContact CG1-CE 4.45Å; P624-M626 PolarHBondContact O-N 2.72Å; P624-M626 VanDerWaalsContact O-N 3.15Å; M626-M629 WeakPolarHBondContact O-CE 3.41Å; M626-I638 HydrophobicContact CB-CG2 3.79Å; M626-I638 HydrophobicContact CG-CG2 3.92Å; M626-P641 HydrophobicContact CG-CB 4.05Å; M626-P641 HydrophobicContact CG-CG 4.28Å; M626-P641 HydrophobicContact SD-CB 3.99Å; M626-P641 HydrophobicContact SD-CG 3.75Å; M626-L652 HydrophobicContact CE-CB 4.11Å; M626-L652 HydrophobicContact CE-CD2 4.33Å; M626-L652 HydrophobicContact SD-CB 4.4Å; M626-M656 HydrophobicContact SD-CB 4.04Å; M626-M656 HydrophobicContact SD-CG 4.36Å; M626-F669 HydrophobicContact SD-CE1 4.44Å
627	V	98.4	Very high	97.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-29.7	179.6	87.4	0	0	0	0	111.8	E508 T511 L524 L604 I606 D625 M629	E508-V627 VanDerWaalsContact C-CG1 3.45Å; E508-V627 WeakPolarHBondContact O-CG1 3.46Å; T511-V627 HydrophobicContact CG2-CG2 3.91Å; T511-V627 VanDerWaalsContact CG2-O 3.31Å; T511-V627 WeakPolarHBondContact CG2-O 3.49Å; L524-V627 HydrophobicContact CB-CG2 4.19Å; L604-V627 HydrophobicContact CD1-CB 4.26Å; L604-V627 HydrophobicContact CD1-CG2 4.22Å; I606-V627 HydrophobicContact CD1-CB 3.98Å; D625-V627 PolarHBondContact O-N 3.4Å; D625-V627 VanDerWaalsContact O-N 3.13Å; D625-V627 WeakPolarHBondContact OD1-CB 3.24Å; D625-V627 WeakPolarHBondContact OD1-CG1 3.41Å; D625-V627 PolarHBondContact OD1-N 2.96Å; V627-M629 PolarHBondContact O-N 3.15Å
628	N	98.6	Very high	97.8	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.011	6%	0.062	C	C	.	.	S	Bend	trans	-78.4	58.7	-179.8	-164.4	-75.3	0	0	0	110.4	D507 D625 P639 E682 H684 C685	D507-N628 PolarHBondContact O-ND2 2.76Å; D507-N628 VanDerWaalsContact O-ND2 3.16Å; D507-N628 PolarHBondContact OD1-ND2 2.71Å; D507-N628 PolarHBondContact OD2-ND2 3.17Å; D625-N628 HydrophobicContact CB-CB 4.39Å; D625-N628 PolarHBondContact O-N 3.35Å; N628-P639 WeakPolarHBondContact O-CD 3.32Å; N628-P639 VanDerWaalsContact O-CG 3.28Å; N628-P639 WeakPolarHBondContact O-CG 3.45Å; N628-E682 HydrophobicContact CB-CB 3.85Å; N628-E682 HydrophobicContact CB-CG 3.95Å; N628-E682 WeakPolarHBondContact OD1-CB 3.45Å; N628-H684 VanDerWaalsContact C-CB 3.44Å; N628-H684 HydrophobicContact CB-CB 4.45Å; N628-H684 WeakPolarHBondContact O-CB 3.09Å; N628-H684 PolarHBondContact O-N 2.89Å; N628-H684 WeakPolarHBondContact OD1-CA 3.49Å; N628-H684 WeakPolarHBondContact OD1-CB 3.49Å; N628-H684 PolarHBondContact OD1-N 2.93Å; N628-H684 VanDerWaalsContact OD1-N 3.09Å; N628-C685 PolarHBondContact ND2-SG 2.66Å; N628-C685 PolarHBondContact OD1-N 3.21Å; N628-C685 PolarHBondContact OD1-SG 3.48Å; N628-C685 VanDerWaalsContact OD1-SG 3.32Å
629	M	98.8	Very high	98	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.058	C	C	.	.			trans	-106.5	154	-173.1	73.3	179.5	74.4	0	0	112.5	T511 V513 L524 L604 M626 V627 V631 L636 G637 I638 M656 H684	T511-M629 HydrophobicContact CG2-CE 4.15Å; T511-M629 HydrophobicContact CG2-CG 4.17Å; T511-M629 HydrophobicContact CG2-SD 4.34Å; V513-M629 HydrophobicContact CG1-SD 4.29Å; L524-M629 HydrophobicContact CD1-CE 3.67Å; L524-M629 HydrophobicContact CD1-SD 4.24Å; L604-M629 HydrophobicContact CD1-CE 4.12Å; M626-M629 WeakPolarHBondContact O-CE 3.41Å; V627-M629 PolarHBondContact O-N 3.15Å; M629-V631 HydrophobicContact CG-CG2 4.1Å; M629-V631 HydrophobicContact SD-CG2 4.43Å; M629-L636 HydrophobicContact SD-CB 4.11Å; M629-L636 HydrophobicContact SD-CD1 3.98Å; M629-L636 HydrophobicContact SD-CD2 4.19Å; M629-L636 HydrophobicContact SD-CG 4.31Å; M629-G637 CarbonylContact C-O 3.51Å; M629-G637 WeakPolarHBondContact CA-O 3.41Å; M629-G637 VanDerWaalsContact CB-O 3.32Å; M629-G637 WeakPolarHBondContact CB-O 3.49Å; M629-I638 HydrophobicContact CB-CB 4.45Å; M629-I638 HydrophobicContact CB-CG1 4.1Å; M629-I638 HydrophobicContact CE-CG1 4.26Å; M629-I638 HydrophobicContact SD-CG1 4.04Å; M629-M656 HydrophobicContact CE-CE 3.45Å; M629-M656 VanDerWaalsContact CE-CE 3.45Å; M629-M656 HydrophobicContact SD-CE 4.23Å; M629-H684 PolarHBondContact O-CD2 2.97Å
630	I	98.7	Very high	98.1	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.6	168.4	-170.4	179.2	0	0	0	111.1	V342 M357 L360 L632 G637 V683 V689	V342-I630 HydrophobicContact CG1-CD1 3.63Å; V342-I630 HydrophobicContact CG2-CD1 4.25Å; M357-I630 HydrophobicContact CE-CD1 3.65Å; M357-I630 HydrophobicContact CE-CG2 4.27Å; M357-I630 HydrophobicContact SD-CG2 4.2Å; L360-I630 HydrophobicContact CD2-CG2 3.82Å; I630-L632 HydrophobicContact CD1-CD1 4.36Å; I630-L632 HydrophobicContact CD1-CD2 3.91Å; I630-L632 HydrophobicContact CD1-CG 4.2Å; I630-L632 HydrophobicContact CG1-CD2 4.01Å; I630-L632 HydrophobicContact CG1-CG 4.17Å; I630-G637 PolarHBondContact N-O 3.02Å; I630-G637 PolarHBondContact O-N 2.91Å; I630-V683 HydrophobicContact CB-CG1 4.07Å; I630-V683 HydrophobicContact CG2-CG1 3.69Å; I630-V689 HydrophobicContact CD1-CG2 3.52Å; I630-V689 HydrophobicContact CG1-CG2 3.61Å
631	V	98.8	Very high	98	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106.6	-178.6	-176.5	0	0	0	0	111.2	N335 V513 M629 L636 R691	N335-V631 HydrophobicContact CB-CB 4.02Å; N335-V631 HydrophobicContact CB-CG1 4.35Å; N335-V631 HydrophobicContact CB-CG2 4.23Å; V513-V631 HydrophobicContact CG1-CG1 4.45Å; V513-V631 HydrophobicContact CG1-CG2 4.05Å; M629-V631 HydrophobicContact CG-CG2 4.1Å; M629-V631 HydrophobicContact SD-CG2 4.43Å; V631-L636 HydrophobicContact CB-CD2 4.44Å; V631-L636 HydrophobicContact CG1-CD2 4.02Å; V631-L636 HydrophobicContact CG2-CD2 4.21Å; V631-R691 PolarHBondContact O-NH1 3.33Å; V631-R691 VanDerWaalsContact O-NH1 3.08Å; V631-R691 PolarHBondContact O-NH2 2.81Å
632	L	98.6	Very high	97.8	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	66.9	-179.9	-58.9	-177	0	0	0	111.4	P339 V342 L360 V361 Y366 I630 K634 D635 V689	P339-L632 HydrophobicContact CB-CD2 3.98Å; P339-L632 HydrophobicContact CG-CB 4.21Å; P339-L632 HydrophobicContact CG-CD2 3.97Å; V342-L632 HydrophobicContact CG2-CD1 4.13Å; V342-L632 HydrophobicContact CG2-CD2 3.65Å; L360-L632 HydrophobicContact CD2-CD1 4.17Å; L360-L632 HydrophobicContact CG-CD1 4.05Å; V361-L632 HydrophobicContact CG2-CD1 3.96Å; Y366-L632 HydrophobicContact CD2-CB 4.23Å; Y366-L632 HydrophobicContact CD2-CD1 4.35Å; Y366-L632 HydrophobicContact CE2-CB 3.99Å; I630-L632 HydrophobicContact CD1-CD1 4.36Å; I630-L632 HydrophobicContact CD1-CD2 3.91Å; I630-L632 HydrophobicContact CD1-CG 4.2Å; I630-L632 HydrophobicContact CG1-CD2 4.01Å; I630-L632 HydrophobicContact CG1-CG 4.17Å; L632-K634 PolarHBondContact O-N 2.79Å; L632-K634 VanDerWaalsContact O-N 3.14Å; L632-D635 WeakPolarHBondContact CA-O 3.43Å; L632-D635 PolarHBondContact N-O 2.83Å; L632-D635 PolarHBondContact O-N 3.22Å; L632-V689 HydrophobicContact CD2-CG1 4.12Å; L632-V689 HydrophobicContact CD2-CG2 4.05Å
633	G	96.8	Very high	97.8	Very high	19 Å²	19	11.5 Å²	11.5	20%	0.196	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-109.8	-173.6	0	0	0	0	0	110.3	P514	P514-G633 WeakPolarHBondContact CG-O 3.46Å
634	K	97.1	Very high	97.7	Very high	120 Å²	120	11.5 Å²	11.5	52%	0.522	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.1	178.2	-66.7	-171.5	176	-170.4	0	114	L632 L665 R666	L632-K634 PolarHBondContact O-N 2.79Å; L632-K634 VanDerWaalsContact O-N 3.14Å; K634-L665 HydrophobicContact CB-CD2 4.4Å; K634-L665 CarbonylContact O-C 3.59Å; K634-L665 WeakPolarHBondContact O-CA 3.36Å; K634-R666 PolarHBondContact O-N 3.45Å
635	D	98.4	Very high	97.4	Very high	10 Å²	10	15.7 Å²	15.7	5%	0.053	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.3	178.7	-68.1	-92	0	0	0	110	L360 R363 C364 L632 R666	L360-D635 HydrophobicContact CD1-CB 4Å; R363-D635 IonicContact CZ-OD1 2.98Å; R363-D635 IonicContact NE-OD1 3.65Å; R363-D635 PolarHBondContact NE-OD1 3.07Å; R363-D635 IonicContact NH2-OD1 3.2Å; R363-D635 PolarHBondContact NH2-OD1 2.8Å; C364-D635 WeakPolarHBondContact SG-CB 3.43Å; L632-D635 WeakPolarHBondContact CA-O 3.43Å; L632-D635 PolarHBondContact N-O 2.83Å; L632-D635 PolarHBondContact O-N 3.22Å; D635-R666 IonicContact OD1-CZ 2.65Å; D635-R666 IonicContact OD1-NE 3.73Å; D635-R666 PolarHBondContact OD1-NE 3.23Å; D635-R666 IonicContact OD1-NH2 3.17Å; D635-R666 IonicContact OD2-CZ 2.78Å; D635-R666 IonicContact OD2-NE 3.23Å; D635-R666 PolarHBondContact OD2-NE 3.23Å; D635-R666 IonicContact OD2-NH2 3.69Å; D635-R666 PolarHBondContact OD2-NH2 3.46Å
636	L	98.8	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.9	-179.8	-49.8	179.8	0	0	0	109.1	V513 M629 V631 I638 M656 M660 L665 R666 T668	V513-L636 HydrophobicContact CG1-CD1 4.38Å; V513-L636 HydrophobicContact CG1-CD2 3.81Å; M629-L636 HydrophobicContact SD-CB 4.11Å; M629-L636 HydrophobicContact SD-CD1 3.98Å; M629-L636 HydrophobicContact SD-CD2 4.19Å; M629-L636 HydrophobicContact SD-CG 4.31Å; V631-L636 HydrophobicContact CB-CD2 4.44Å; V631-L636 HydrophobicContact CG1-CD2 4.02Å; V631-L636 HydrophobicContact CG2-CD2 4.21Å; L636-I638 HydrophobicContact CB-CD1 3.88Å; L636-I638 HydrophobicContact CB-CG1 3.81Å; L636-I638 HydrophobicContact CD1-CD1 4.32Å; L636-M656 HydrophobicContact CD1-CE 4.16Å; L636-M660 HydrophobicContact CD1-CG 3.97Å; L636-M660 HydrophobicContact CD1-SD 3.9Å; L636-L665 HydrophobicContact CD1-CB 4.07Å; L636-L665 HydrophobicContact CD1-CD1 4.19Å; L636-L665 HydrophobicContact CG-CB 4.39Å; L636-R666 PolarHBondContact N-O 2.94Å; L636-T668 WeakPolarHBondContact O-CB 3.27Å; L636-T668 PolarHBondContact O-N 3.33Å
637	G	98.7	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	99.8	168.2	0	0	0	0	0	109.6	L360 M629 I630 T668	L360-G637 VanDerWaalsContact CD2-CA 3.45Å; M629-G637 CarbonylContact C-O 3.51Å; M629-G637 WeakPolarHBondContact CA-O 3.41Å; M629-G637 VanDerWaalsContact CB-O 3.32Å; M629-G637 WeakPolarHBondContact CB-O 3.49Å; I630-G637 PolarHBondContact N-O 3.02Å; I630-G637 PolarHBondContact O-N 2.91Å; G637-T668 CarbonylContact C-O 3.21Å; G637-T668 WeakPolarHBondContact CA-O 3.44Å
638	I	98.9	Very high	95.9	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	-104.6	135.9	-168.1	-57.5	158.8	0	0	0	108.5	M626 M629 L636 K640 M656 C667 T668 F669 I670	M626-I638 HydrophobicContact CB-CG2 3.79Å; M626-I638 HydrophobicContact CG-CG2 3.92Å; M629-I638 HydrophobicContact CB-CB 4.45Å; M629-I638 HydrophobicContact CB-CG1 4.1Å; M629-I638 HydrophobicContact CE-CG1 4.26Å; M629-I638 HydrophobicContact SD-CG1 4.04Å; L636-I638 HydrophobicContact CB-CD1 3.88Å; L636-I638 HydrophobicContact CB-CG1 3.81Å; L636-I638 HydrophobicContact CD1-CD1 4.32Å; I638-K640 PolarHBondContact O-N 2.64Å; I638-M656 HydrophobicContact CD1-CE 3.43Å; I638-M656 VanDerWaalsContact CD1-CE 3.43Å; I638-M656 HydrophobicContact CD1-CG 3.88Å; I638-M656 HydrophobicContact CG1-CE 4.1Å; I638-C667 HydrophobicContact CD1-CB 3.58Å; I638-T668 PolarHBondContact N-O 3.03Å; I638-F669 HydrophobicContact CB-CD1 4Å; I638-F669 HydrophobicContact CB-CE1 4.14Å; I638-F669 HydrophobicContact CD1-CE1 4.21Å; I638-F669 HydrophobicContact CD1-CZ 4.48Å; I638-F669 HydrophobicContact CG2-CD1 3.98Å; I638-F669 HydrophobicContact CG2-CE1 3.89Å; I638-F669 CarbonylContact O-C 3.53Å; I638-F669 VanDerWaalsContact O-CA 3.24Å; I638-F669 WeakPolarHBondContact O-CA 3.25Å; I638-I670 PolarHBondContact O-N 3.48Å
639	P	98.6	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	135.1	170.8	-28.4	38.5	0	0	0	111.1	P624 D625 N628 P641 E682 V683	P624-P639 HydrophobicContact CB-CB 3.86Å; D625-P639 VanDerWaalsContact O-CG 3.22Å; D625-P639 WeakPolarHBondContact O-CG 3.49Å; N628-P639 WeakPolarHBondContact O-CD 3.32Å; N628-P639 VanDerWaalsContact O-CG 3.28Å; N628-P639 WeakPolarHBondContact O-CG 3.45Å; P639-P641 VanDerWaalsContact O-CD 3.31Å; P639-P641 WeakPolarHBondContact O-CD 3.17Å; P639-E682 HydrophobicContact CB-CB 4.05Å; P639-E682 HydrophobicContact CB-CG 4.42Å; P639-E682 HydrophobicContact CG-CB 3.46Å; P639-E682 VanDerWaalsContact CG-CB 3.46Å; P639-E682 HydrophobicContact CG-CG 4.14Å; P639-V683 HydrophobicContact CB-CG2 4.33Å; P639-V683 HydrophobicContact CG-CB 3.94Å; P639-V683 HydrophobicContact CG-CG2 3.79Å
640	K	97.6	Very high	95.5	Very high	55 Å²	55	36.6 Å²	36.6	24%	0.239	19%	0.191	C	C	.	.			trans	-78	116.1	-177.1	-176.3	174.5	179.8	67	0	108.9	P624 I638 F642 E653 F669 I670 D671	P624-K640 WeakPolarHBondContact CB-O 3.14Å; P624-K640 VanDerWaalsContact CG-O 3.28Å; P624-K640 WeakPolarHBondContact CG-O 3.48Å; I638-K640 PolarHBondContact O-N 2.64Å; K640-F642 VanDerWaalsContact C-N 3.34Å; K640-F642 HydrophobicContact CB-CD2 4.41Å; K640-F642 HydrophobicContact CB-CE2 3.9Å; K640-F642 HydrophobicContact CB-CZ 4.31Å; K640-F642 HydrophobicContact CD-CD1 4.45Å; K640-F642 HydrophobicContact CD-CE1 3.85Å; K640-F642 HydrophobicContact CD-CE2 4.05Å; K640-F642 HydrophobicContact CD-CZ 3.63Å; K640-F642 HydrophobicContact CG-CD2 4.21Å; K640-F642 HydrophobicContact CG-CE1 4.34Å; K640-F642 HydrophobicContact CG-CE2 3.9Å; K640-F642 HydrophobicContact CG-CZ 4.01Å; K640-F642 WeakPolarHBondContact O-CD2 3.5Å; K640-F642 VanDerWaalsContact O-CE2 3.27Å; K640-F642 WeakPolarHBondContact O-CE2 3.47Å; K640-F642 PolarHBondContact O-N 3.31Å; K640-E653 IonicContact NZ-OE1 3.82Å; K640-E653 PolarHBondContact NZ-OE1 2.78Å; K640-E653 IonicContact NZ-OE2 3.21Å; K640-F669 HydrophobicContact CB-CB 4.15Å; K640-F669 HydrophobicContact CG-CB 4.23Å; K640-I670 VanDerWaalsContact CB-O 3.29Å; K640-I670 WeakPolarHBondContact CB-O 3.34Å; K640-I670 PolarHBondContact N-O 2.92Å; K640-D671 HydrophobicContact CD-CB 4.5Å
641	P	96.3	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.			trans	-79.8	-11.9	-167.5	32.3	-39	0	0	0	114.6	Y623 M626 P639 G643 L652 E653	Y623-P641 HydrophobicContact CD2-CB 4.18Å; M626-P641 HydrophobicContact CG-CB 4.05Å; M626-P641 HydrophobicContact CG-CG 4.28Å; M626-P641 HydrophobicContact SD-CB 3.99Å; M626-P641 HydrophobicContact SD-CG 3.75Å; P639-P641 VanDerWaalsContact O-CD 3.31Å; P639-P641 WeakPolarHBondContact O-CD 3.17Å; P641-G643 PolarHBondContact O-N 3.43Å; P641-L652 HydrophobicContact CB-CB 4.11Å; P641-L652 HydrophobicContact CB-CD1 3.84Å; P641-L652 HydrophobicContact CG-CB 3.73Å; P641-L652 HydrophobicContact CG-CD1 4.34Å; P641-E653 HydrophobicContact CG-CG 3.84Å
642	F	94.9	Very high	95.4	Very high	26 Å²	26	37 Å²	37	11%	0.114	20%	0.195	C	C	.	.			trans	49.3	34.7	-176.1	-62.4	-84.1	0	0	0	114.6	F549 I552 P624 K640 D671 F673	F549-F642 HydrophobicContact CD1-CB 4.12Å; F549-F642 PolarHBondContact N-O 3.25Å; I552-F642 HydrophobicContact CD1-CB 3.95Å; I552-F642 HydrophobicContact CD1-CD1 3.93Å; I552-F642 HydrophobicContact CD1-CD2 4.14Å; I552-F642 HydrophobicContact CD1-CE1 4.45Å; I552-F642 HydrophobicContact CD1-CG 3.74Å; I552-F642 HydrophobicContact CG1-CB 4.4Å; I552-F642 HydrophobicContact CG1-CD1 3.56Å; I552-F642 HydrophobicContact CG1-CE1 3.87Å; I552-F642 HydrophobicContact CG1-CG 3.93Å; P624-F642 HydrophobicContact CG-CD2 4.39Å; K640-F642 VanDerWaalsContact C-N 3.34Å; K640-F642 HydrophobicContact CB-CD2 4.41Å; K640-F642 HydrophobicContact CB-CE2 3.9Å; K640-F642 HydrophobicContact CB-CZ 4.31Å; K640-F642 HydrophobicContact CD-CD1 4.45Å; K640-F642 HydrophobicContact CD-CE1 3.85Å; K640-F642 HydrophobicContact CD-CE2 4.05Å; K640-F642 HydrophobicContact CD-CZ 3.63Å; K640-F642 HydrophobicContact CG-CD2 4.21Å; K640-F642 HydrophobicContact CG-CE1 4.34Å; K640-F642 HydrophobicContact CG-CE2 3.9Å; K640-F642 HydrophobicContact CG-CZ 4.01Å; K640-F642 WeakPolarHBondContact O-CD2 3.5Å; K640-F642 VanDerWaalsContact O-CE2 3.27Å; K640-F642 WeakPolarHBondContact O-CE2 3.47Å; K640-F642 PolarHBondContact O-N 3.31Å; F642-D671 HydrophobicContact CZ-CB 4.41Å; F642-F673 HydrophobicContact CD2-CB 4.28Å; F642-F673 AromaticContact CD2-CD2 3.84Å; F642-F673 HydrophobicContact CD2-CD2 3.84Å; F642-F673 HydrophobicContact CD2-CG 4.34Å; F642-F673 HydrophobicContact CE2-CB 3.7Å; F642-F673 HydrophobicContact CE2-CD2 4.14Å; F642-F673 HydrophobicContact CE2-CG 4.22Å; F642-F673 HydrophobicContact CZ-CB 4.39Å
643	G	95.2	Very high	95.4	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.021	20%	0.202	C	C	.	.			trans	-69.9	179.4	-179.1	0	0	0	0	0	115.5	P641 K645 C650	P641-G643 PolarHBondContact O-N 3.43Å; G643-K645 PolarHBondContact O-N 2.87Å; G643-C650 WeakPolarHBondContact CA-SG 3.22Å; G643-C650 PolarHBondContact N-SG 3.3Å
644	P	95	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.			trans	-56.2	132.1	-176.1	-21.9	32.1	0	0	0	112.3	F535 L538 A546 K547 M548 V563 A651	F535-P644 HydrophobicContact CD1-CG 4.43Å; F535-P644 HydrophobicContact CE1-CG 3.88Å; F535-P644 HydrophobicContact CZ-CG 4.28Å; L538-P644 HydrophobicContact CD1-CB 4.04Å; L538-P644 HydrophobicContact CD1-CG 4.15Å; A546-P644 HydrophobicContact CB-CB 3.9Å; K547-P644 WeakPolarHBondContact O-CA 3.27Å; M548-P644 HydrophobicContact CG-CG 3.71Å; M548-P644 HydrophobicContact SD-CG 4.33Å; V563-P644 HydrophobicContact CG2-CB 3.75Å; V563-P644 HydrophobicContact CG2-CG 3.52Å; P644-A651 PolarHBondContact O-N 2.87Å
645	K	91.4	Very high	95.5	Very high	88 Å²	88	38.7 Å²	38.7	38%	0.383	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.3	177.8	-67.5	-179.4	-166.1	157.4	0	111.6	D550 G643 R649	D550-K645 VanDerWaalsContact CG-NZ 3.34Å; D550-K645 PolarHBondContact O-NZ 3.09Å; D550-K645 WeakPolarHBondContact OD2-CD 3.43Å; D550-K645 IonicContact OD2-NZ 3.86Å; D550-K645 PolarHBondContact OD2-NZ 3.41Å; G643-K645 PolarHBondContact O-N 2.87Å; K645-R649 CarbonylContact C-O 3.55Å; K645-R649 VanDerWaalsContact CA-O 3.31Å; K645-R649 WeakPolarHBondContact CA-O 3.23Å
646	V	88.9	Confident	95.5	Very high	26 Å²	26	38.2 Å²	38.2	16%	0.158	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.1	170.9	-179.3	0	0	0	0	108.1	L538 H543 G648 R649	L538-V646 HydrophobicContact CD2-CG2 3.71Å; H543-V646 HydrophobicContact CB-CG2 4.15Å; H543-V646 WeakPolarHBondContact NE2-CG1 3.26Å; V646-G648 PolarHBondContact O-N 3.27Å; V646-G648 VanDerWaalsContact O-N 3.13Å; V646-R649 PolarHBondContact N-O 2.79Å; V646-R649 PolarHBondContact O-N 2.75Å
647	N	87.8	Confident	95.5	Very high	153 Å²	153	40.6 Å²	40.6	82%	0.818	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	36.4	-176.8	-59.1	-42.8	0	0	0	113.5	R649	N647-R649 VanDerWaalsContact C-N 3.32Å; N647-R649 PolarHBondContact O-N 2.76Å
648	G	87	Confident	95.5	Very high	69 Å²	69	44 Å²	44	71%	0.711	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	5.5	179.8	0	0	0	0	0	115.5	V646	V646-G648 PolarHBondContact O-N 3.27Å; V646-G648 VanDerWaalsContact O-N 3.13Å
649	R	92.3	Very high	95.5	Very high	185 Å²	185	46.3 Å²	46.3	70%	0.698	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.6	175.6	-63.6	-175.5	-178.9	-177.4	-0.1	111	K645 V646 N647 A651	K645-R649 CarbonylContact C-O 3.55Å; K645-R649 VanDerWaalsContact CA-O 3.31Å; K645-R649 WeakPolarHBondContact CA-O 3.23Å; V646-R649 PolarHBondContact N-O 2.79Å; V646-R649 PolarHBondContact O-N 2.75Å; N647-R649 VanDerWaalsContact C-N 3.32Å; N647-R649 PolarHBondContact O-N 2.76Å; R649-A651 PolarHBondContact O-N 2.81Å
650	C	96.1	Very high	95.5	Very high	13 Å²	13	46.3 Å²	46.3	9%	0.088	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	125.1	173.7	-179.5	0	0	0	0	109.8	G643 E653 T654	G643-C650 WeakPolarHBondContact CA-SG 3.22Å; G643-C650 PolarHBondContact N-SG 3.3Å; C650-E653 HydrophobicContact CB-CB 3.92Å; C650-E653 HydrophobicContact CB-CG 3.73Å; C650-E653 PolarHBondContact O-N 2.89Å; C650-T654 PolarHBondContact O-N 2.87Å; C650-T654 PolarHBondContact O-OG1 3.04Å
651	A	97.5	Very high	95.1	Very high	11 Å²	11	51 Å²	51	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-39.6	-179.9	0	0	0	0	0	112.3	L538 P644 R649 T654 E655	L538-A651 HydrophobicContact CD1-CB 3.78Å; L538-A651 HydrophobicContact CD2-CB 4.18Å; P644-A651 PolarHBondContact O-N 2.87Å; R649-A651 PolarHBondContact O-N 2.81Å; A651-T654 PolarHBondContact O-N 2.84Å; A651-E655 PolarHBondContact O-N 3.45Å
652	L	98.3	Very high	95	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-45.2	176.8	-67.6	172.1	0	0	0	111.9	L534 F535 M548 P605 Y623 M626 P641 T654 E655 M656	L534-L652 HydrophobicContact CD2-CD2 3.65Å; L534-L652 HydrophobicContact CD2-CG 4.43Å; F535-L652 HydrophobicContact CE1-CD2 4.13Å; F535-L652 HydrophobicContact CE1-CG 4.38Å; F535-L652 HydrophobicContact CZ-CD1 4.46Å; F535-L652 HydrophobicContact CZ-CD2 4.45Å; M548-L652 HydrophobicContact CE-CD1 4.36Å; P605-L652 HydrophobicContact CB-CD2 3.83Å; P605-L652 HydrophobicContact CG-CD2 3.77Å; Y623-L652 HydrophobicContact CD2-CD1 4.14Å; Y623-L652 HydrophobicContact CE1-CD1 4.15Å; Y623-L652 HydrophobicContact CE2-CD1 3.71Å; M626-L652 HydrophobicContact CE-CB 4.11Å; M626-L652 HydrophobicContact CE-CD2 4.33Å; M626-L652 HydrophobicContact SD-CB 4.4Å; P641-L652 HydrophobicContact CB-CB 4.11Å; P641-L652 HydrophobicContact CB-CD1 3.84Å; P641-L652 HydrophobicContact CG-CB 3.73Å; P641-L652 HydrophobicContact CG-CD1 4.34Å; L652-T654 VanDerWaalsContact C-N 3.26Å; L652-T654 PolarHBondContact O-N 2.92Å; L652-E655 PolarHBondContact O-N 3.19Å; L652-M656 WeakPolarHBondContact O-CB 3.29Å; L652-M656 PolarHBondContact O-N 3.25Å
653	E	98.3	Very high	95.1	Very high	33 Å²	33	54 Å²	54	15%	0.154	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-37.1	175.2	-66.8	179	-148	0	0	111.8	K640 P641 C650 C657 F669	K640-E653 IonicContact NZ-OE1 3.82Å; K640-E653 PolarHBondContact NZ-OE1 2.78Å; K640-E653 IonicContact NZ-OE2 3.21Å; P641-E653 HydrophobicContact CG-CG 3.84Å; C650-E653 HydrophobicContact CB-CB 3.92Å; C650-E653 HydrophobicContact CB-CG 3.73Å; C650-E653 PolarHBondContact O-N 2.89Å; E653-C657 WeakPolarHBondContact O-CB 3.37Å; E653-C657 PolarHBondContact O-N 3.2Å; E653-C657 PolarHBondContact O-SG 3.31Å; E653-F669 HydrophobicContact CB-CD2 4.12Å; E653-F669 HydrophobicContact CB-CE1 4.06Å; E653-F669 HydrophobicContact CB-CE2 3.62Å; E653-F669 HydrophobicContact CB-CZ 3.59Å; E653-F669 HydrophobicContact CG-CD1 3.81Å; E653-F669 HydrophobicContact CG-CD2 3.87Å; E653-F669 HydrophobicContact CG-CE1 3.76Å; E653-F669 HydrophobicContact CG-CE2 3.84Å; E653-F669 HydrophobicContact CG-CG 3.86Å; E653-F669 HydrophobicContact CG-CZ 3.79Å
654	T	98.1	Very high	95.2	Very high	73 Å²	73	55.8 Å²	55.8	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-68.2	-44.8	179.2	-56.9	0	0	0	0	110.9	C650 A651 L652 C657 S658	C650-T654 PolarHBondContact O-N 2.87Å; C650-T654 PolarHBondContact O-OG1 3.04Å; A651-T654 PolarHBondContact O-N 2.84Å; L652-T654 VanDerWaalsContact C-N 3.26Å; L652-T654 PolarHBondContact O-N 2.92Å; T654-C657 PolarHBondContact O-N 2.77Å; T654-S658 WeakPolarHBondContact O-CB 3.38Å; T654-S658 PolarHBondContact O-N 2.86Å
655	E	98.4	Very high	95.3	Very high	69 Å²	69	56.3 Å²	56.3	32%	0.322	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-45.4	176.5	-173.6	62.9	-172.8	0	0	111.2	L534 P605 A651 L652 C657 S658 L659	L534-E655 HydrophobicContact CD2-CB 4.22Å; P605-E655 HydrophobicContact CG-CB 4.39Å; P605-E655 HydrophobicContact CG-CG 4.06Å; A651-E655 PolarHBondContact O-N 3.45Å; L652-E655 PolarHBondContact O-N 3.19Å; E655-C657 VanDerWaalsContact C-N 3.34Å; E655-C657 PolarHBondContact O-N 2.92Å; E655-S658 WeakPolarHBondContact O-CB 3.48Å; E655-S658 PolarHBondContact O-N 2.91Å; E655-S658 VanDerWaalsContact O-N 3.1Å; E655-L659 HydrophobicContact CG-CD1 4.23Å; E655-L659 WeakPolarHBondContact O-CG 3.19Å; E655-L659 PolarHBondContact O-N 2.87Å
656	M	98.4	Very high	95.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-57.8	-45.9	175.7	178.7	53.9	-176.2	0	0	111.8	L604 M626 M629 L636 I638 L652 S658 L659 M660 F669	L604-M656 HydrophobicContact CD1-CE 4.46Å; L604-M656 HydrophobicContact CD1-SD 4.21Å; L604-M656 HydrophobicContact CD2-SD 3.61Å; M626-M656 HydrophobicContact SD-CB 4.04Å; M626-M656 HydrophobicContact SD-CG 4.36Å; M629-M656 HydrophobicContact CE-CE 3.45Å; M629-M656 VanDerWaalsContact CE-CE 3.45Å; M629-M656 HydrophobicContact SD-CE 4.23Å; L636-M656 HydrophobicContact CD1-CE 4.16Å; I638-M656 HydrophobicContact CD1-CE 3.43Å; I638-M656 VanDerWaalsContact CD1-CE 3.43Å; I638-M656 HydrophobicContact CD1-CG 3.88Å; I638-M656 HydrophobicContact CG1-CE 4.1Å; L652-M656 WeakPolarHBondContact O-CB 3.29Å; L652-M656 PolarHBondContact O-N 3.25Å; M656-S658 VanDerWaalsContact C-N 3.34Å; M656-S658 PolarHBondContact O-N 2.99Å; M656-L659 PolarHBondContact O-N 3.08Å; M656-M660 HydrophobicContact CE-CE 4.33Å; M656-M660 HydrophobicContact CE-CG 3.57Å; M656-M660 HydrophobicContact CE-SD 3.97Å; M656-M660 WeakPolarHBondContact O-CB 3.49Å; M656-M660 VanDerWaalsContact O-CG 3.26Å; M656-M660 WeakPolarHBondContact O-CG 3.29Å; M656-M660 PolarHBondContact O-N 2.89Å; M656-M660 HydrophobicContact SD-CE 4.39Å; M656-M660 HydrophobicContact SD-CG 3.97Å; M656-F669 HydrophobicContact CB-CE1 4.31Å; M656-F669 HydrophobicContact CB-CZ 4.12Å; M656-F669 HydrophobicContact CG-CE1 4.14Å; M656-F669 HydrophobicContact CG-CZ 4.11Å
657	C	98.5	Very high	96.1	Very high	50 Å²	50	59 Å²	59	34%	0.338	34%	0.341	S	S	.	.	H	α-helix	trans	-60.1	-43.9	174.8	-69.3	0	0	0	0	112.1	E653 T654 E655 L659 M660 E661	E653-C657 WeakPolarHBondContact O-CB 3.37Å; E653-C657 PolarHBondContact O-N 3.2Å; E653-C657 PolarHBondContact O-SG 3.31Å; T654-C657 PolarHBondContact O-N 2.77Å; E655-C657 VanDerWaalsContact C-N 3.34Å; E655-C657 PolarHBondContact O-N 2.92Å; C657-L659 PolarHBondContact O-N 2.92Å; C657-M660 PolarHBondContact O-N 2.81Å; C657-E661 WeakPolarHBondContact O-CB 3.18Å; C657-E661 PolarHBondContact O-N 3.49Å
658	S	98.2	Very high	96.6	Very high	70 Å²	70	53 Å²	53	49%	0.49	31%	0.311	S	S	.	.	H	α-helix	trans	-59.9	-45.5	-179.6	180	0	0	0	0	112	T654 E655 M656 M660	T654-S658 WeakPolarHBondContact O-CB 3.38Å; T654-S658 PolarHBondContact O-N 2.86Å; E655-S658 WeakPolarHBondContact O-CB 3.48Å; E655-S658 PolarHBondContact O-N 2.91Å; E655-S658 VanDerWaalsContact O-N 3.1Å; M656-S658 VanDerWaalsContact C-N 3.34Å; M656-S658 PolarHBondContact O-N 2.99Å; S658-M660 VanDerWaalsContact C-N 3.28Å; S658-M660 PolarHBondContact O-N 3.42Å
659	L	98.4	Very high	97.1	Very high	49 Å²	49	51.8 Å²	51.8	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-32.3	178.2	-66	171.7	0	0	0	112.4	I602 L604 E655 M656 C657	I602-L659 HydrophobicContact CG2-CB 4.07Å; I602-L659 HydrophobicContact CG2-CD1 4Å; I602-L659 HydrophobicContact CG2-CD2 4.24Å; I602-L659 HydrophobicContact CG2-CG 4.33Å; L604-L659 HydrophobicContact CD2-CD1 3.94Å; E655-L659 HydrophobicContact CG-CD1 4.23Å; E655-L659 WeakPolarHBondContact O-CG 3.19Å; E655-L659 PolarHBondContact O-N 2.87Å; M656-L659 PolarHBondContact O-N 3.08Å; C657-L659 PolarHBondContact O-N 2.92Å
660	M	98.4	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-89.6	-25.1	-176.8	-67.3	-54.7	107.2	0	0	114.1	L524 I602 L604 L636 M656 C657 S658 G662 L663 G664 L665	L524-M660 HydrophobicContact CD1-CE 4.19Å; L524-M660 HydrophobicContact CD1-SD 4.26Å; L524-M660 HydrophobicContact CD2-CE 3.78Å; I602-M660 HydrophobicContact CD1-CE 3.94Å; I602-M660 HydrophobicContact CG2-CE 4.07Å; L604-M660 HydrophobicContact CD2-CE 4.41Å; L636-M660 HydrophobicContact CD1-CG 3.97Å; L636-M660 HydrophobicContact CD1-SD 3.9Å; M656-M660 HydrophobicContact CE-CE 4.33Å; M656-M660 HydrophobicContact CE-CG 3.57Å; M656-M660 HydrophobicContact CE-SD 3.97Å; M656-M660 WeakPolarHBondContact O-CB 3.49Å; M656-M660 VanDerWaalsContact O-CG 3.26Å; M656-M660 WeakPolarHBondContact O-CG 3.29Å; M656-M660 PolarHBondContact O-N 2.89Å; M656-M660 HydrophobicContact SD-CE 4.39Å; M656-M660 HydrophobicContact SD-CG 3.97Å; C657-M660 PolarHBondContact O-N 2.81Å; S658-M660 VanDerWaalsContact C-N 3.28Å; S658-M660 PolarHBondContact O-N 3.42Å; M660-G662 VanDerWaalsContact C-N 3.32Å; M660-G662 PolarHBondContact O-N 3.32Å; M660-L663 WeakPolarHBondContact O-CB 3.44Å; M660-L663 PolarHBondContact O-N 3.1Å; M660-G664 PolarHBondContact O-N 2.83Å; M660-L665 HydrophobicContact CB-CB 4.1Å; M660-L665 PolarHBondContact O-N 3.46Å; M660-L665 HydrophobicContact SD-CD1 3.73Å
661	E	90.6	Very high	97.4	Very high	153 Å²	153	45.2 Å²	45.2	72%	0.715	26%	0.264	S	S	*	.	H	α-helix	trans	-59	-42.3	-173.4	-176.5	171.9	-160.5	0	0	112	C657 L663 G664	C657-E661 WeakPolarHBondContact O-CB 3.18Å; C657-E661 PolarHBondContact O-N 3.49Å; E661-L663 PolarHBondContact O-N 2.83Å; E661-G664 PolarHBondContact O-N 2.98Å
662	G	92.8	Very high	97.3	Very high	72 Å²	72	44.8 Å²	44.8	74%	0.742	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.7	177.9	0	0	0	0	0	114.4	M660	M660-G662 VanDerWaalsContact C-N 3.32Å; M660-G662 PolarHBondContact O-N 3.32Å
663	L	97.4	Very high	97.1	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.089	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-5.1	178.5	-53.4	-179.2	0	0	0	112.5	V513 A515 P516 R522 I602 M660 E661 L665	V513-L663 HydrophobicContact CG2-CD1 4.5Å; A515-L663 HydrophobicContact CB-CD2 4.12Å; P516-L663 WeakPolarHBondContact CD-O 3.12Å; R522-L663 HydrophobicContact CB-CD1 4.38Å; R522-L663 HydrophobicContact CG-CD1 3.8Å; R522-L663 HydrophobicContact CG-CD2 4.35Å; I602-L663 HydrophobicContact CD1-CD1 3.76Å; M660-L663 WeakPolarHBondContact O-CB 3.44Å; M660-L663 PolarHBondContact O-N 3.1Å; E661-L663 PolarHBondContact O-N 2.83Å; L663-L665 VanDerWaalsContact C-N 3.29Å; L663-L665 HydrophobicContact CB-CD1 3.93Å; L663-L665 HydrophobicContact CB-CG 3.91Å; L663-L665 HydrophobicContact CD1-CD1 3.94Å
664	G	96.8	Very high	96.8	Very high	40 Å²	40	46.1 Å²	46.1	41%	0.412	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	26.9	-175	0	0	0	0	0	113.4	M660 E661	M660-G664 PolarHBondContact O-N 2.83Å; E661-G664 PolarHBondContact O-N 2.98Å
665	L	98.3	Very high	96.6	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.063	26%	0.257	C	S	.	.			trans	-92	145.4	176.6	-62.3	174.7	0	0	0	110.5	V513 P514 K634 L636 M660 L663	V513-L665 HydrophobicContact CB-CD1 3.73Å; V513-L665 HydrophobicContact CG1-CD1 4.39Å; V513-L665 HydrophobicContact CG2-CD1 3.61Å; P514-L665 HydrophobicContact CG-CD2 4.19Å; K634-L665 HydrophobicContact CB-CD2 4.4Å; K634-L665 CarbonylContact O-C 3.59Å; K634-L665 WeakPolarHBondContact O-CA 3.36Å; L636-L665 HydrophobicContact CD1-CB 4.07Å; L636-L665 HydrophobicContact CD1-CD1 4.19Å; L636-L665 HydrophobicContact CG-CB 4.39Å; M660-L665 HydrophobicContact CB-CB 4.1Å; M660-L665 PolarHBondContact O-N 3.46Å; M660-L665 HydrophobicContact SD-CD1 3.73Å; L663-L665 VanDerWaalsContact C-N 3.29Å; L663-L665 HydrophobicContact CB-CD1 3.93Å; L663-L665 HydrophobicContact CB-CG 3.91Å; L663-L665 HydrophobicContact CD1-CD1 3.94Å
666	R	98	Very high	96.6	Very high	139 Å²	139	39.6 Å²	39.6	53%	0.525	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.4	-177.7	-69	-173.4	-70.6	-100	2.9	110.6	K634 D635 L636	K634-R666 PolarHBondContact O-N 3.45Å; D635-R666 IonicContact OD1-CZ 2.65Å; D635-R666 IonicContact OD1-NE 3.73Å; D635-R666 PolarHBondContact OD1-NE 3.23Å; D635-R666 IonicContact OD1-NH2 3.17Å; D635-R666 IonicContact OD2-CZ 2.78Å; D635-R666 IonicContact OD2-NE 3.23Å; D635-R666 PolarHBondContact OD2-NE 3.23Å; D635-R666 IonicContact OD2-NH2 3.69Å; D635-R666 PolarHBondContact OD2-NH2 3.46Å; L636-R666 PolarHBondContact N-O 2.94Å
667	C	98.6	Very high	96.4	Very high	30 Å²	30	40.3 Å²	40.3	20%	0.203	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.4	177.2	-59.6	0	0	0	0	111.6	I638 F669	I638-C667 HydrophobicContact CD1-CB 3.58Å; C667-F669 HydrophobicContact CB-CE2 4.09Å; C667-F669 HydrophobicContact CB-CZ 4.12Å
668	T	98.4	Very high	96.2	Very high	29 Å²	29	41.8 Å²	41.8	18%	0.178	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	113.1	167.7	-63.5	0	0	0	0	108.6	R363 L636 G637 I638 I670	R363-T668 PolarHBondContact NH1-OG1 3.42Å; R363-T668 PolarHBondContact NH2-OG1 3.26Å; L636-T668 WeakPolarHBondContact O-CB 3.27Å; L636-T668 PolarHBondContact O-N 3.33Å; G637-T668 CarbonylContact C-O 3.21Å; G637-T668 WeakPolarHBondContact CA-O 3.44Å; I638-T668 PolarHBondContact N-O 3.03Å; T668-I670 HydrophobicContact CG2-CG1 4.46Å
669	F	98.1	Very high	96	Very high	43 Å²	43	42.2 Å²	42.2	19%	0.189	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.8	179.2	-59.7	-79.5	0	0	0	110.7	M626 I638 K640 E653 M656 C667	M626-F669 HydrophobicContact SD-CE1 4.44Å; I638-F669 HydrophobicContact CB-CD1 4Å; I638-F669 HydrophobicContact CB-CE1 4.14Å; I638-F669 HydrophobicContact CD1-CE1 4.21Å; I638-F669 HydrophobicContact CD1-CZ 4.48Å; I638-F669 HydrophobicContact CG2-CD1 3.98Å; I638-F669 HydrophobicContact CG2-CE1 3.89Å; I638-F669 CarbonylContact O-C 3.53Å; I638-F669 VanDerWaalsContact O-CA 3.24Å; I638-F669 WeakPolarHBondContact O-CA 3.25Å; K640-F669 HydrophobicContact CB-CB 4.15Å; K640-F669 HydrophobicContact CG-CB 4.23Å; E653-F669 HydrophobicContact CB-CD2 4.12Å; E653-F669 HydrophobicContact CB-CE1 4.06Å; E653-F669 HydrophobicContact CB-CE2 3.62Å; E653-F669 HydrophobicContact CB-CZ 3.59Å; E653-F669 HydrophobicContact CG-CD1 3.81Å; E653-F669 HydrophobicContact CG-CD2 3.87Å; E653-F669 HydrophobicContact CG-CE1 3.76Å; E653-F669 HydrophobicContact CG-CE2 3.84Å; E653-F669 HydrophobicContact CG-CG 3.86Å; E653-F669 HydrophobicContact CG-CZ 3.79Å; M656-F669 HydrophobicContact CB-CE1 4.31Å; M656-F669 HydrophobicContact CB-CZ 4.12Å; M656-F669 HydrophobicContact CG-CE1 4.14Å; M656-F669 HydrophobicContact CG-CZ 4.11Å; C667-F669 HydrophobicContact CB-CE2 4.09Å; C667-F669 HydrophobicContact CB-CZ 4.12Å
670	I	98.2	Very high	95.9	Very high	2 Å²	2	43 Å²	43	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.3	-176.7	-59.8	-179.6	0	0	0	108.2	F353 M357 L360 I638 K640 T668 D672 V683	F353-I670 HydrophobicContact CD2-CG2 3.85Å; F353-I670 HydrophobicContact CE2-CG2 4.48Å; M357-I670 HydrophobicContact CG-CD1 4.22Å; M357-I670 HydrophobicContact SD-CD1 3.44Å; M357-I670 WeakPolarHBondContact SD-CD1 3.37Å; L360-I670 HydrophobicContact CD2-CD1 3.98Å; I638-I670 PolarHBondContact O-N 3.48Å; K640-I670 VanDerWaalsContact CB-O 3.29Å; K640-I670 WeakPolarHBondContact CB-O 3.34Å; K640-I670 PolarHBondContact N-O 2.92Å; T668-I670 HydrophobicContact CG2-CG1 4.46Å; I670-D672 PolarHBondContact O-N 2.91Å; I670-V683 HydrophobicContact CB-CG2 3.86Å; I670-V683 HydrophobicContact CD1-CG1 4.23Å; I670-V683 HydrophobicContact CD1-CG2 4.4Å; I670-V683 HydrophobicContact CG2-CG2 4.09Å
671	D	95.8	Very high	95.7	Very high	58 Å²	58	43.3 Å²	43.3	31%	0.31	25%	0.249	S	C	.	.			trans	-80.9	105.6	176.2	-176	-5	0	0	0	109.9	Q352 F353 K640 F642 F673	Q352-D671 HydrophobicContact CB-CB 4.39Å; F353-D671 WeakPolarHBondContact CA-O 3.36Å; F353-D671 PolarHBondContact N-O 3.5Å; K640-D671 HydrophobicContact CD-CB 4.5Å; F642-D671 HydrophobicContact CZ-CB 4.41Å; D671-F673 PolarHBondContact OD1-N 2.92Å
672	D	95.9	Very high	96	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	22%	0.216	C	C	.	.			trans	-121	4.6	179.2	62.3	-14.9	0	0	0	112.3	F353 I670 A674 S675 Y676 H677 E682 V683	F353-D672 HydrophobicContact CD2-CB 4.03Å; I670-D672 PolarHBondContact O-N 2.91Å; D672-A674 PolarHBondContact O-N 3.25Å; D672-S675 PolarHBondContact O-N 2.81Å; D672-Y676 HydrophobicContact CB-CD2 3.85Å; D672-Y676 HydrophobicContact CB-CG 4.29Å; D672-Y676 WeakPolarHBondContact O-CA 3.4Å; D672-Y676 WeakPolarHBondContact O-CB 3.48Å; D672-Y676 PolarHBondContact O-N 3.43Å; D672-H677 PolarHBondContact O-N 2.77Å; D672-E682 WeakPolarHBondContact OD2-CA 3.44Å; D672-V683 HydrophobicContact CB-CG2 4.39Å; D672-V683 WeakPolarHBondContact OD2-CG2 3.16Å; D672-V683 PolarHBondContact OD2-N 2.87Å
673	F	94.1	Very high	96.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-52.7	-166.6	-172.5	-89.6	0	0	0	113.3	F549 I552 V555 E558 P624 F642 D671 H677 K678	F549-F673 AromaticContact CD1-CE2 3.93Å; F549-F673 HydrophobicContact CD1-CE2 3.93Å; F549-F673 HydrophobicContact CD1-CZ 4.18Å; F549-F673 AromaticContact CE1-CE2 3.92Å; F549-F673 HydrophobicContact CE1-CE2 3.92Å; F549-F673 HydrophobicContact CE1-CZ 4.4Å; I552-F673 HydrophobicContact CD1-CD1 4.14Å; I552-F673 HydrophobicContact CD1-CD2 4.04Å; I552-F673 HydrophobicContact CD1-CE1 3.87Å; I552-F673 HydrophobicContact CD1-CE2 3.8Å; I552-F673 HydrophobicContact CD1-CG 4.21Å; I552-F673 HydrophobicContact CD1-CZ 3.7Å; I552-F673 HydrophobicContact CG2-CD1 3.97Å; I552-F673 HydrophobicContact CG2-CE1 4.24Å; V555-F673 HydrophobicContact CG2-CD1 4.07Å; V555-F673 HydrophobicContact CG2-CE1 4.08Å; E558-F673 HydrophobicContact CG-CE1 4.21Å; E558-F673 HydrophobicContact CG-CZ 4.22Å; P624-F673 HydrophobicContact CG-CD2 3.63Å; P624-F673 HydrophobicContact CG-CE2 4.31Å; F642-F673 HydrophobicContact CD2-CB 4.28Å; F642-F673 AromaticContact CD2-CD2 3.84Å; F642-F673 HydrophobicContact CD2-CD2 3.84Å; F642-F673 HydrophobicContact CD2-CG 4.34Å; F642-F673 HydrophobicContact CE2-CB 3.7Å; F642-F673 HydrophobicContact CE2-CD2 4.14Å; F642-F673 HydrophobicContact CE2-CG 4.22Å; F642-F673 HydrophobicContact CZ-CB 4.39Å; D671-F673 PolarHBondContact OD1-N 2.92Å; F673-H677 AromaticContact CD2-CD2 3.69Å; F673-H677 AromaticContact CE2-CD2 3.58Å; F673-H677 WeakPolarHBondContact O-CB 3.43Å; F673-H677 PolarHBondContact O-N 2.84Å; F673-K678 HydrophobicContact CD1-CG 4.33Å; F673-K678 HydrophobicContact CE1-CD 4.31Å; F673-K678 HydrophobicContact CE1-CG 4.21Å; F673-K678 WeakPolarHBondContact O-CG 3.23Å; F673-K678 PolarHBondContact O-N 3.5Å
674	A	92.1	Very high	96	Very high	61 Å²	61	32.7 Å²	32.7	50%	0.504	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-33.2	-174.9	0	0	0	0	0	113	V555 D672	V555-A674 HydrophobicContact CG2-CB 4.48Å; D672-A674 PolarHBondContact O-N 3.25Å
675	S	93.9	Very high	95.9	Very high	6 Å²	6	31 Å²	31	4%	0.042	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-17.5	-171.1	58.9	0	0	0	0	114.3	R380 D672	R380-S675 WeakPolarHBondContact CD-O 3.45Å; R380-S675 PolarHBondContact NE-O 2.85Å; D672-S675 PolarHBondContact O-N 2.81Å
676	Y	96.9	Very high	95.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-60.4	-180	-63.9	-93.5	0	0	0	111.4	N350 F353 R380 W381 D672 K678 L679 L680 G681 G686	N350-Y676 HydrophobicContact CB-CE2 3.93Å; N350-Y676 PolarHBondContact ND2-OH 2.84Å; F353-Y676 HydrophobicContact CB-CD2 4.13Å; F353-Y676 HydrophobicContact CB-CE2 3.62Å; F353-Y676 HydrophobicContact CD1-CD2 4.43Å; F353-Y676 AromaticContact CD1-CE2 3.37Å; F353-Y676 HydrophobicContact CD1-CE2 3.37Å; F353-Y676 AromaticContact CD1-CZ 3.59Å; F353-Y676 VanDerWaalsContact CD1-OH 3.26Å; F353-Y676 WeakPolarHBondContact CD1-OH 3.38Å; F353-Y676 HydrophobicContact CD2-CD2 4.04Å; F353-Y676 AromaticContact CD2-CE2 3.73Å; F353-Y676 HydrophobicContact CD2-CE2 3.73Å; F353-Y676 AromaticContact CE1-CE2 3.88Å; F353-Y676 HydrophobicContact CE1-CE2 3.88Å; F353-Y676 AromaticContact CE1-CZ 3.63Å; F353-Y676 WeakPolarHBondContact CE1-OH 3.1Å; F353-Y676 HydrophobicContact CE2-CE2 4.19Å; F353-Y676 AromaticContact CG-CD2 3.95Å; F353-Y676 HydrophobicContact CG-CD2 3.95Å; F353-Y676 AromaticContact CG-CE2 3.27Å; F353-Y676 HydrophobicContact CG-CE2 3.27Å; F353-Y676 AromaticContact CG-CZ 3.95Å; F353-Y676 HydrophobicContact CZ-CE2 4.25Å; R380-Y676 HydrophobicContact CB-CE1 3.79Å; R380-Y676 HydrophobicContact CG-CD1 4.09Å; R380-Y676 HydrophobicContact CG-CE1 3.73Å; W381-Y676 HydrophobicContact CE3-CD1 4.2Å; W381-Y676 HydrophobicContact CH2-CD1 4.2Å; W381-Y676 AromaticContact CZ3-CD1 3.64Å; W381-Y676 HydrophobicContact CZ3-CD1 3.64Å; W381-Y676 HydrophobicContact CZ3-CE1 4.46Å; D672-Y676 HydrophobicContact CB-CD2 3.85Å; D672-Y676 HydrophobicContact CB-CG 4.29Å; D672-Y676 WeakPolarHBondContact O-CA 3.4Å; D672-Y676 WeakPolarHBondContact O-CB 3.48Å; D672-Y676 PolarHBondContact O-N 3.43Å; Y676-K678 VanDerWaalsContact C-N 3.32Å; Y676-K678 PolarHBondContact O-N 2.91Å; Y676-L679 CarbonylContact O-C 3.52Å; Y676-L679 VanDerWaalsContact O-CA 3.29Å; Y676-L679 WeakPolarHBondContact O-CA 3.41Å; Y676-L679 WeakPolarHBondContact O-CB 3.35Å; Y676-L679 PolarHBondContact O-N 2.84Å; Y676-L680 PolarHBondContact O-N 2.91Å; Y676-G681 CarbonylContact C-O 3.36Å; Y676-G681 VanDerWaalsContact CB-O 3.29Å; Y676-G681 WeakPolarHBondContact CB-O 3.36Å; Y676-G681 PolarHBondContact O-N 3.11Å; Y676-G681 VanDerWaalsContact O-O 3.05Å; Y676-G686 VanDerWaalsContact CE1-CA 3.48Å
677	H	95.9	Very high	95.8	Very high	14 Å²	14	23.9 Å²	23.9	7%	0.065	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-56	-43.6	-173	175.9	64.3	0	0	0	112.9	P624 D672 F673 L679 L680 G681 E682	P624-H677 HydrophobicContact CG-CB 4.03Å; D672-H677 PolarHBondContact O-N 2.77Å; F673-H677 AromaticContact CD2-CD2 3.69Å; F673-H677 AromaticContact CE2-CD2 3.58Å; F673-H677 WeakPolarHBondContact O-CB 3.43Å; F673-H677 PolarHBondContact O-N 2.84Å; H677-L679 PolarHBondContact O-N 3.24Å; H677-L680 PolarHBondContact O-N 2.81Å; H677-G681 WeakPolarHBondContact CA-O 3.23Å; H677-G681 PolarHBondContact N-O 3.03Å; H677-E682 WeakPolarHBondContact CB-OE2 3.39Å; H677-E682 IonicContact CE1-OE1 2.95Å; H677-E682 IonicContact CG-OE1 2.71Å; H677-E682 IonicContact CG-OE2 3.91Å; H677-E682 IonicContact ND1-OE1 3.31Å; H677-E682 PolarHBondContact ND1-OE1 2.83Å; H677-E682 IonicContact ND1-OE2 2.66Å
678	K	93.6	Very high	95.8	Very high	81 Å²	81	22.7 Å²	22.7	35%	0.352	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-64.8	-8.6	176.6	-71.5	-69.2	165.9	-165.8	0	114.5	E558 F673 Y676	E558-K678 VanDerWaalsContact OE1-CE 3.27Å; E558-K678 WeakPolarHBondContact OE1-CE 3.4Å; E558-K678 IonicContact OE1-NZ 2.72Å; E558-K678 PolarHBondContact OE1-NZ 2.94Å; E558-K678 IonicContact OE2-NZ 2.86Å; E558-K678 PolarHBondContact OE2-NZ 3.33Å; F673-K678 HydrophobicContact CD1-CG 4.33Å; F673-K678 HydrophobicContact CE1-CD 4.31Å; F673-K678 HydrophobicContact CE1-CG 4.21Å; F673-K678 WeakPolarHBondContact O-CG 3.23Å; F673-K678 PolarHBondContact O-N 3.5Å; Y676-K678 VanDerWaalsContact C-N 3.32Å; Y676-K678 PolarHBondContact O-N 2.91Å
679	L	94.8	Very high	95.8	Very high	79 Å²	79	22 Å²	22	41%	0.414	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-115.1	20.7	176.9	-52.7	177	0	0	0	111.3	R380 W381 Y676 H677	R380-L679 VanDerWaalsContact NH2-CD1 3.27Å; W381-L679 HydrophobicContact CH2-CB 4.02Å; W381-L679 HydrophobicContact CZ2-CB 3.76Å; W381-L679 WeakPolarHBondContact CZ2-O 3.5Å; Y676-L679 CarbonylContact O-C 3.52Å; Y676-L679 VanDerWaalsContact O-CA 3.29Å; Y676-L679 WeakPolarHBondContact O-CA 3.41Å; Y676-L679 WeakPolarHBondContact O-CB 3.35Å; Y676-L679 PolarHBondContact O-N 2.84Å; H677-L679 PolarHBondContact O-N 3.24Å
680	L	95.3	Very high	95.8	Very high	67 Å²	67	22.2 Å²	22.2	35%	0.351	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	31.4	172.3	-47.2	-179.8	0	0	0	115.1	V503 V620 Y676 H677	V503-L680 HydrophobicContact CG2-CB 3.75Å; V503-L680 WeakPolarHBondContact CG2-O 3.35Å; V620-L680 HydrophobicContact CB-CD2 4.04Å; V620-L680 HydrophobicContact CG1-CD1 4.15Å; V620-L680 HydrophobicContact CG1-CD2 3.76Å; Y676-L680 PolarHBondContact O-N 2.91Å; H677-L680 PolarHBondContact O-N 2.81Å
681	G	94.4	Very high	95.9	Very high	5 Å²	5	22.6 Å²	22.6	5%	0.052	12%	0.122	C	C	.	.			trans	-151.2	171.3	171	0	0	0	0	0	111.9	Y676 H677	Y676-G681 CarbonylContact C-O 3.36Å; Y676-G681 VanDerWaalsContact CB-O 3.29Å; Y676-G681 WeakPolarHBondContact CB-O 3.36Å; Y676-G681 PolarHBondContact O-N 3.11Å; Y676-G681 VanDerWaalsContact O-O 3.05Å; H677-G681 WeakPolarHBondContact CA-O 3.23Å; H677-G681 PolarHBondContact N-O 3.03Å
682	E	96.8	Very high	96	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.028	13%	0.129	C	C	.	.			trans	-131.3	-162.1	-173.2	-45	-67.6	168.3	0	0	112.5	P624 D625 N628 P639 D672 H677 H684 C685 G686	P624-E682 WeakPolarHBondContact CA-OE1 3.16Å; P624-E682 WeakPolarHBondContact CB-OE2 3.33Å; D625-E682 HydrophobicContact CB-CG 3.9Å; D625-E682 VanDerWaalsContact N-CD 3.29Å; D625-E682 PolarHBondContact N-OE1 3.17Å; D625-E682 VanDerWaalsContact N-OE1 3.09Å; N628-E682 HydrophobicContact CB-CB 3.85Å; N628-E682 HydrophobicContact CB-CG 3.95Å; N628-E682 WeakPolarHBondContact OD1-CB 3.45Å; P639-E682 HydrophobicContact CB-CB 4.05Å; P639-E682 HydrophobicContact CB-CG 4.42Å; P639-E682 HydrophobicContact CG-CB 3.46Å; P639-E682 VanDerWaalsContact CG-CB 3.46Å; P639-E682 HydrophobicContact CG-CG 4.14Å; D672-E682 WeakPolarHBondContact OD2-CA 3.44Å; H677-E682 WeakPolarHBondContact CB-OE2 3.39Å; H677-E682 IonicContact CE1-OE1 2.95Å; H677-E682 IonicContact CG-OE1 2.71Å; H677-E682 IonicContact CG-OE2 3.91Å; H677-E682 IonicContact ND1-OE1 3.31Å; H677-E682 PolarHBondContact ND1-OE1 2.83Å; H677-E682 IonicContact ND1-OE2 2.66Å; E682-H684 VanDerWaalsContact C-N 3.34Å; E682-H684 PolarHBondContact O-N 2.63Å; E682-C685 PolarHBondContact O-N 2.99Å; E682-G686 PolarHBondContact O-N 3.16Å
683	V	94.9	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-46.8	-179.8	174.7	0	0	0	0	113.4	F353 M357 I630 P639 I670 D672 G686 S687	F353-V683 HydrophobicContact CE2-CB 4.36Å; F353-V683 HydrophobicContact CE2-CG1 4.23Å; F353-V683 HydrophobicContact CE2-CG2 4.2Å; M357-V683 HydrophobicContact SD-CG1 4.03Å; I630-V683 HydrophobicContact CB-CG1 4.07Å; I630-V683 HydrophobicContact CG2-CG1 3.69Å; P639-V683 HydrophobicContact CB-CG2 4.33Å; P639-V683 HydrophobicContact CG-CB 3.94Å; P639-V683 HydrophobicContact CG-CG2 3.79Å; I670-V683 HydrophobicContact CB-CG2 3.86Å; I670-V683 HydrophobicContact CD1-CG1 4.23Å; I670-V683 HydrophobicContact CD1-CG2 4.4Å; I670-V683 HydrophobicContact CG2-CG2 4.09Å; D672-V683 HydrophobicContact CB-CG2 4.39Å; D672-V683 WeakPolarHBondContact OD2-CG2 3.16Å; D672-V683 PolarHBondContact OD2-N 2.87Å; V683-G686 PolarHBondContact O-N 2.84Å; V683-S687 WeakPolarHBondContact O-CB 3.17Å; V683-S687 PolarHBondContact O-N 3.46Å; V683-S687 PolarHBondContact O-OG 3.19Å
684	H	95.6	Very high	96.3	Very high	13 Å²	13	28 Å²	28	6%	0.06	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-50.7	-179.3	-177.6	-94.8	0	0	0	110.5	Q383 E445 D507 N628 M629 E682 G686 S687	Q383-H684 VanDerWaalsContact CD-CE1 3.43Å; Q383-H684 PolarHBondContact NE2-CE1 3.02Å; Q383-H684 VanDerWaalsContact NE2-CE1 3.34Å; E445-H684 IonicContact OE1-CE1 2.62Å; E445-H684 PolarHBondContact OE1-CE1 3.33Å; E445-H684 IonicContact OE1-NE2 3.53Å; D507-H684 IonicContact OD2-CE1 3.21Å; D507-H684 IonicContact OD2-CG 3.14Å; D507-H684 IonicContact OD2-ND1 2.92Å; D507-H684 PolarHBondContact OD2-ND1 2.95Å; N628-H684 VanDerWaalsContact C-CB 3.44Å; N628-H684 HydrophobicContact CB-CB 4.45Å; N628-H684 WeakPolarHBondContact O-CB 3.09Å; N628-H684 PolarHBondContact O-N 2.89Å; N628-H684 WeakPolarHBondContact OD1-CA 3.49Å; N628-H684 WeakPolarHBondContact OD1-CB 3.49Å; N628-H684 PolarHBondContact OD1-N 2.93Å; N628-H684 VanDerWaalsContact OD1-N 3.09Å; M629-H684 PolarHBondContact O-CD2 2.97Å; E682-H684 VanDerWaalsContact C-N 3.34Å; E682-H684 PolarHBondContact O-N 2.63Å; H684-G686 PolarHBondContact O-N 3.34Å; H684-G686 VanDerWaalsContact O-N 3.07Å; H684-S687 CarbonylContact O-C 3.52Å; H684-S687 PolarHBondContact O-N 2.66Å
685	C	94.2	Very high	96.6	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.041	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-36	176	-53.9	0	0	0	0	113.3	W381 M382 Q383 D507 N628 E682 S687	W381-C685 CarbonylContact C-O 3.56Å; W381-C685 WeakPolarHBondContact CA-O 3.3Å; W381-C685 HydrophobicContact CE3-CB 3.79Å; W381-C685 HydrophobicContact CZ3-CB 3.97Å; M382-C685 PolarHBondContact N-O 2.81Å; Q383-C685 VanDerWaalsContact CB-O 3.32Å; Q383-C685 WeakPolarHBondContact CB-O 3.42Å; Q383-C685 PolarHBondContact N-O 3.11Å; D507-C685 PolarHBondContact OD2-SG 3.42Å; N628-C685 PolarHBondContact ND2-SG 2.66Å; N628-C685 PolarHBondContact OD1-N 3.21Å; N628-C685 PolarHBondContact OD1-SG 3.48Å; N628-C685 VanDerWaalsContact OD1-SG 3.32Å; E682-C685 PolarHBondContact O-N 2.99Å; C685-S687 VanDerWaalsContact C-N 3.34Å
686	G	95.8	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.8	-179.8	0	0	0	0	0	116.1	R380 Y676 E682 V683 H684	R380-G686 WeakPolarHBondContact O-CA 3.47Å; Y676-G686 VanDerWaalsContact CE1-CA 3.48Å; E682-G686 PolarHBondContact O-N 3.16Å; V683-G686 PolarHBondContact O-N 2.84Å; H684-G686 PolarHBondContact O-N 3.34Å; H684-G686 VanDerWaalsContact O-N 3.07Å
687	S	98.3	Very high	96.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.9	-175.2	68	0	0	0	0	112	F343 Q383 V683 H684 C685	F343-S687 CarbonylContact O-C 3.52Å; F343-S687 WeakPolarHBondContact O-CA 3.39Å; Q383-S687 WeakPolarHBondContact CB-O 3.49Å; Q383-S687 PolarHBondContact OE1-O 2.75Å; V683-S687 WeakPolarHBondContact O-CB 3.17Å; V683-S687 PolarHBondContact O-N 3.46Å; V683-S687 PolarHBondContact O-OG 3.19Å; H684-S687 CarbonylContact O-C 3.52Å; H684-S687 PolarHBondContact O-N 2.66Å; C685-S687 VanDerWaalsContact C-N 3.34Å
688	N	98.7	Very high	97	Very high	5 Å²	5	39 Å²	39	3%	0.027	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	151.3	172.2	-160	-32.5	0	0	0	109.4	F343 M382 Q383 L386 F388	F343-N688 HydrophobicContact CB-CB 4.45Å; F343-N688 PolarHBondContact N-O 3.13Å; F343-N688 PolarHBondContact O-N 3.41Å; M382-N688 HydrophobicContact CG-CB 3.8Å; M382-N688 PolarHBondContact O-ND2 3.43Å; Q383-N688 PolarHBondContact OE1-ND2 3.25Å; L386-N688 WeakPolarHBondContact CD1-ND2 3.46Å; L386-N688 PolarHBondContact O-ND2 3.09Å; F388-N688 VanDerWaalsContact CD2-OD1 3.25Å; F388-N688 WeakPolarHBondContact CD2-OD1 3.41Å; F388-N688 HydrophobicContact CE2-CB 4.08Å
689	V	98.8	Very high	97.3	Very high	15 Å²	15	35.7 Å²	35.7	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115.4	-172.6	-173.5	0	0	0	0	111	P339 V342 I630 L632 R691	P339-V689 HydrophobicContact CB-CG1 3.9Å; V342-V689 HydrophobicContact CG2-CG2 4.37Å; I630-V689 HydrophobicContact CD1-CG2 3.52Å; I630-V689 HydrophobicContact CG1-CG2 3.61Å; L632-V689 HydrophobicContact CD2-CG1 4.12Å; L632-V689 HydrophobicContact CD2-CG2 4.05Å; V689-R691 HydrophobicContact CG1-CG 4Å
690	R	98.8	Very high	97.4	Very high	46 Å²	46	34.3 Å²	34.3	17%	0.174	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.1	166.6	-172.4	173.4	62.5	88.8	-3.4	109.8	V340 E341 F343 F388	V340-R690 WeakPolarHBondContact CA-O 3.32Å; V340-R690 WeakPolarHBondContact CB-O 3.31Å; V340-R690 PolarHBondContact N-O 3.31Å; E341-R690 PolarHBondContact N-O 3.07Å; E341-R690 PolarHBondContact O-N 2.97Å; E341-R690 IonicContact OE2-CZ 2.65Å; E341-R690 IonicContact OE2-NE 2.72Å; E341-R690 IonicContact OE2-NH2 3.59Å; E341-R690 PolarHBondContact OE2-NH2 2.7Å; F343-R690 HydrophobicContact CE2-CB 3.92Å; F388-R690 HydrophobicContact CB-CB 4.43Å; F388-R690 HydrophobicContact CB-CG 4.39Å; F388-R690 HydrophobicContact CD1-CB 4.24Å; F388-R690 HydrophobicContact CD1-CG 4.28Å; F388-R690 HydrophobicContact CD2-CB 4.01Å; F388-R690 HydrophobicContact CE2-CB 4.31Å; F388-R690 HydrophobicContact CG-CB 3.97Å; F388-R690 HydrophobicContact CG-CG 4.24Å
691	R	98.8	Very high	97.5	Very high	11 Å²	11	31.5 Å²	31.5	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	167.1	-177.4	-56.7	177	-178	-80.2	-5.4	111.3	T333 P334 N335 L337 Q338 V631 V689	T333-R691 HydrophobicContact CG2-CB 4.4Å; P334-R691 WeakPolarHBondContact O-CD 3.38Å; P334-R691 PolarHBondContact O-NE 3.32Å; N335-R691 PolarHBondContact O-NH1 3.01Å; N335-R691 VanDerWaalsContact O-NH1 3.13Å; N335-R691 PolarHBondContact OD1-NH2 3.25Å; L337-R691 HydrophobicContact CB-CB 4.05Å; L337-R691 PolarHBondContact O-NH1 2.86Å; Q338-R691 CarbonylContact O-C 3.54Å; Q338-R691 VanDerWaalsContact O-CA 3.3Å; Q338-R691 WeakPolarHBondContact O-CA 3.25Å; Q338-R691 WeakPolarHBondContact O-CB 3.24Å; V631-R691 PolarHBondContact O-NH1 3.33Å; V631-R691 VanDerWaalsContact O-NH1 3.08Å; V631-R691 PolarHBondContact O-NH2 2.81Å; V689-R691 HydrophobicContact CG1-CG 4Å
692	K	98.5	Very high	97.3	Very high	106 Å²	106	38.1 Å²	38.1	46%	0.461	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-67.4	143.6	169.6	-72.1	-167.2	177.7	172.1	0	110	L337 Q338 V340	L337-K692 WeakPolarHBondContact CD1-O 3.44Å; Q338-K692 HydrophobicContact CB-CB 4.48Å; Q338-K692 HydrophobicContact CB-CD 4.28Å; Q338-K692 HydrophobicContact CB-CG 4.34Å; Q338-K692 PolarHBondContact O-N 2.95Å; Q338-K692 VanDerWaalsContact OE1-CD 3.27Å; V340-K692 HydrophobicContact CG2-CG 3.63Å
693	P	98.5	Very high	96.6	Very high	53 Å²	53	43.5 Å²	43.5	34%	0.344	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-55.6	162	167.9	-28.3	37.5	0	0	0	113.3	Y390	Y390-P693 HydrophobicContact CD1-CB 4Å; Y390-P693 HydrophobicContact CD1-CG 4.25Å; Y390-P693 HydrophobicContact CD2-CB 3.75Å; Y390-P693 HydrophobicContact CD2-CG 3.99Å; Y390-P693 HydrophobicContact CE1-CB 3.92Å; Y390-P693 HydrophobicContact CE2-CB 3.67Å; Y390-P693 HydrophobicContact CE2-CG 4.42Å; Y390-P693 HydrophobicContact CG-CB 3.91Å; Y390-P693 HydrophobicContact CG-CG 3.89Å
694	F	98.8	Very high	96.7	Very high	13 Å²	13	45.7 Å²	45.7	6%	0.057	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-65.4	144.2	168.9	-68.3	-84.3	0	0	0	111.2	I331 M332 P334 L337 Y390 P449 L459 F696	I331-F694 HydrophobicContact CG2-CD2 4.45Å; M332-F694 WeakPolarHBondContact O-CE2 2.96Å; P334-F694 HydrophobicContact CG-CE1 4.09Å; P334-F694 HydrophobicContact CG-CZ 3.6Å; L337-F694 HydrophobicContact CD1-CD1 3.88Å; L337-F694 HydrophobicContact CD1-CD2 3.92Å; L337-F694 HydrophobicContact CD1-CE1 3.86Å; L337-F694 HydrophobicContact CD1-CE2 3.93Å; L337-F694 HydrophobicContact CD1-CG 3.92Å; L337-F694 HydrophobicContact CD1-CZ 3.92Å; L337-F694 HydrophobicContact CD2-CD1 3.9Å; L337-F694 HydrophobicContact CD2-CE1 3.95Å; L337-F694 HydrophobicContact CG-CD1 4.37Å; L337-F694 HydrophobicContact CG-CE1 4.14Å; L337-F694 HydrophobicContact CG-CZ 4.46Å; Y390-F694 HydrophobicContact CE1-CD2 4.17Å; Y390-F694 WeakPolarHBondContact OH-CD2 3.36Å; Y390-F694 PolarHBondContact OH-N 2.66Å; P449-F694 HydrophobicContact CG-CD1 4.35Å; P449-F694 HydrophobicContact CG-CE1 3.65Å; P449-F694 HydrophobicContact CG-CZ 4.49Å; L459-F694 HydrophobicContact CB-CD2 4.34Å; L459-F694 HydrophobicContact CB-CE2 4.14Å; L459-F694 HydrophobicContact CD2-CB 3.68Å; L459-F694 HydrophobicContact CD2-CD1 4.34Å; L459-F694 HydrophobicContact CD2-CD2 3.58Å; L459-F694 HydrophobicContact CD2-CE2 4.23Å; L459-F694 HydrophobicContact CD2-CG 3.62Å; L459-F694 WeakPolarHBondContact O-CE2 3.17Å; L459-F694 VanDerWaalsContact O-CZ 3.3Å; L459-F694 WeakPolarHBondContact O-CZ 3.42Å; F694-F696 PolarHBondContact O-N 2.79Å
695	D	97.9	Very high	96.7	Very high	162 Å²	162	47.4 Å²	47.4	87%	0.866	23%	0.232	S	C	*	.	S	Bend	trans	-69.8	-25.7	169.5	-66.2	-34.6	0	0	0	111.7	K697	D695-K697 PolarHBondContact O-N 3.48Å
696	F	98.4	Very high	96.9	Very high	74 Å²	74	49.7 Å²	49.7	33%	0.325	24%	0.243	S	C	.	.	S	Bend	trans	-70.7	123.6	176.2	-175.2	-84.6	0	0	0	110.5	P458 L459 F694 N700 L701	P458-F696 HydrophobicContact CB-CD1 3.89Å; P458-F696 HydrophobicContact CB-CD2 3.88Å; P458-F696 HydrophobicContact CB-CE1 4.05Å; P458-F696 HydrophobicContact CB-CE2 4.02Å; P458-F696 HydrophobicContact CB-CG 3.81Å; P458-F696 HydrophobicContact CB-CZ 4.1Å; P458-F696 HydrophobicContact CG-CD1 3.77Å; P458-F696 HydrophobicContact CG-CD2 4.31Å; P458-F696 HydrophobicContact CG-CE1 3.48Å; P458-F696 VanDerWaalsContact CG-CE1 3.48Å; P458-F696 HydrophobicContact CG-CE2 4.04Å; P458-F696 HydrophobicContact CG-CG 4.19Å; P458-F696 HydrophobicContact CG-CZ 3.62Å; L459-F696 HydrophobicContact CD2-CB 4.27Å; L459-F696 HydrophobicContact CD2-CD1 3.97Å; L459-F696 HydrophobicContact CG-CD1 4.31Å; F694-F696 PolarHBondContact O-N 2.79Å; F696-N700 HydrophobicContact CE1-CB 4.2Å; F696-N700 HydrophobicContact CE2-CB 4.34Å; F696-N700 HydrophobicContact CZ-CB 3.78Å; F696-L701 HydrophobicContact CE1-CD2 4.33Å; F696-L701 HydrophobicContact CE1-CG 4.02Å
697	K	98.5	Very high	96.9	Very high	75 Å²	75	52.6 Å²	52.6	33%	0.326	26%	0.257	S	S	.	.			trans	-79	123	178.4	-58.7	-52.2	-166.3	174.7	0	111.5	D392 D695 W699 N700	D392-K697 VanDerWaalsContact CG-NZ 3.29Å; D392-K697 IonicContact OD1-NZ 3.43Å; D392-K697 PolarHBondContact OD1-NZ 3.48Å; D392-K697 WeakPolarHBondContact OD2-CD 3.37Å; D392-K697 IonicContact OD2-NZ 2.87Å; D392-K697 PolarHBondContact OD2-NZ 2.82Å; D695-K697 PolarHBondContact O-N 3.48Å; K697-W699 HydrophobicContact CB-CD2 3.86Å; K697-W699 HydrophobicContact CB-CE3 4.12Å; K697-W699 HydrophobicContact CB-CH2 3.87Å; K697-W699 HydrophobicContact CB-CZ2 3.56Å; K697-W699 HydrophobicContact CB-CZ3 4.13Å; K697-W699 HydrophobicContact CD-CH2 3.65Å; K697-W699 HydrophobicContact CD-CZ2 3.94Å; K697-W699 HydrophobicContact CD-CZ3 4.23Å; K697-W699 HydrophobicContact CG-CH2 3.88Å; K697-W699 HydrophobicContact CG-CZ2 3.62Å; K697-W699 PolarHBondContact O-N 3.44Å; K697-W699 VanDerWaalsContact O-N 3.13Å; K697-N700 WeakPolarHBondContact O-CB 3.49Å; K697-N700 PolarHBondContact O-N 3.14Å
698	W	98.7	Very high	96.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-58.3	-32.2	-170	66.9	-98.3	0	0	0	113.9	W161 W163 I171 R326 S328 P329 I331 D392 L459 V490 N700 L701	W161-W698 HydrophobicContact CZ2-CH2 4.38Å; W161-W698 HydrophobicContact CZ2-CZ3 4.15Å; W163-W698 AromaticContact CH2-CE3 3.9Å; W163-W698 HydrophobicContact CH2-CE3 3.9Å; W163-W698 AromaticContact CH2-CZ3 3.65Å; W163-W698 HydrophobicContact CH2-CZ3 3.65Å; W163-W698 AromaticContact CZ3-CE3 3.65Å; W163-W698 HydrophobicContact CZ3-CE3 3.65Å; W163-W698 AromaticContact CZ3-CZ3 3.7Å; W163-W698 HydrophobicContact CZ3-CZ3 3.7Å; I171-W698 HydrophobicContact CD1-CH2 4.38Å; I171-W698 HydrophobicContact CD1-CZ2 3.99Å; I171-W698 HydrophobicContact CG1-CH2 4.28Å; I171-W698 HydrophobicContact CG1-CZ2 4.09Å; I171-W698 HydrophobicContact CG2-CZ2 3.76Å; R326-W698 HydrophobicContact CG-CH2 3.86Å; R326-W698 HydrophobicContact CG-CZ3 4.35Å; S328-W698 PolarHBondContact OG-NE1 2.91Å; P329-W698 VanDerWaalsContact CD-CE2 3.45Å; P329-W698 HydrophobicContact CG-CD2 3.85Å; P329-W698 HydrophobicContact CG-CE3 3.91Å; P329-W698 HydrophobicContact CG-CG 4.2Å; P329-W698 HydrophobicContact CG-CZ3 4.43Å; I331-W698 HydrophobicContact CD1-CB 3.64Å; I331-W698 HydrophobicContact CD1-CG 3.85Å; D392-W698 PolarHBondContact O-NE1 3.47Å; L459-W698 HydrophobicContact CD1-CB 3.78Å; V490-W698 HydrophobicContact CG1-CB 4.38Å; V490-W698 HydrophobicContact CG1-CE3 4.15Å; W698-N700 PolarHBondContact O-N 3.38Å; W698-L701 WeakPolarHBondContact O-CB 3.24Å; W698-L701 WeakPolarHBondContact O-CD1 3.34Å; W698-L701 WeakPolarHBondContact O-CG 2.93Å; W698-L701 PolarHBondContact O-N 3.27Å; W698-L701 VanDerWaalsContact O-N 3.13Å
699	W	98.5	Very high	96.7	Very high	13 Å²	13	59.3 Å²	59.3	5%	0.049	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-69.1	-13.8	178.4	57.4	84.1	0	0	0	113.9	R147 W161 G164 I171 D392 P394 K697 L701	R147-W699 VanDerWaalsContact CD-CD1 3.45Å; W161-W699 HydrophobicContact CZ2-CB 4.37Å; G164-W699 PolarHBondContact N-O 3.37Å; I171-W699 HydrophobicContact CD1-CB 3.78Å; I171-W699 HydrophobicContact CD1-CD2 3.38Å; I171-W699 HydrophobicContact CD1-CE3 3.4Å; I171-W699 VanDerWaalsContact CD1-CE3 3.4Å; I171-W699 HydrophobicContact CD1-CG 3.6Å; I171-W699 HydrophobicContact CD1-CZ3 4.08Å; D392-W699 HydrophobicContact CB-CZ3 4.43Å; P394-W699 HydrophobicContact CG-CH2 4.23Å; P394-W699 HydrophobicContact CG-CZ2 4.04Å; K697-W699 HydrophobicContact CB-CD2 3.86Å; K697-W699 HydrophobicContact CB-CE3 4.12Å; K697-W699 HydrophobicContact CB-CH2 3.87Å; K697-W699 HydrophobicContact CB-CZ2 3.56Å; K697-W699 HydrophobicContact CB-CZ3 4.13Å; K697-W699 HydrophobicContact CD-CH2 3.65Å; K697-W699 HydrophobicContact CD-CZ2 3.94Å; K697-W699 HydrophobicContact CD-CZ3 4.23Å; K697-W699 HydrophobicContact CG-CH2 3.88Å; K697-W699 HydrophobicContact CG-CZ2 3.62Å; K697-W699 PolarHBondContact O-N 3.44Å; K697-W699 VanDerWaalsContact O-N 3.13Å; W699-L701 VanDerWaalsContact C-N 3.3Å
700	N	98.3	Very high	96.6	Very high	49 Å²	49	62.4 Å²	62.4	26%	0.262	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-85.2	0.6	174.3	-66.7	-26.7	0	0	0	113.3	F696 K697 W698	F696-N700 HydrophobicContact CE1-CB 4.2Å; F696-N700 HydrophobicContact CE2-CB 4.34Å; F696-N700 HydrophobicContact CZ-CB 3.78Å; K697-N700 WeakPolarHBondContact O-CB 3.49Å; K697-N700 PolarHBondContact O-N 3.14Å; W698-N700 PolarHBondContact O-N 3.38Å
701	L	96.4	Very high	96.4	Very high	8 Å²	8	63.7 Å²	63.7	4%	0.042	31%	0.313	C	S	.	.			trans	-57.2	141	169.4	-82.1	166.6	0	0	0	110.6	W163 G164 P458 L459 V490 F696 W698 W699 L703	W163-L701 WeakPolarHBondContact CB-O 3.5Å; W163-L701 HydrophobicContact CE3-CB 4.04Å; W163-L701 HydrophobicContact CZ3-CB 4.34Å; G164-L701 VanDerWaalsContact CA-O 3.28Å; G164-L701 WeakPolarHBondContact CA-O 3.42Å; G164-L701 PolarHBondContact N-O 2.97Å; P458-L701 HydrophobicContact CG-CD2 3.33Å; P458-L701 HydrophobicContact CG-CG 4.27Å; L459-L701 HydrophobicContact CD1-CD1 4.18Å; V490-L701 HydrophobicContact CB-CD1 3.42Å; V490-L701 VanDerWaalsContact CB-CD1 3.42Å; V490-L701 HydrophobicContact CG1-CD1 3.48Å; V490-L701 VanDerWaalsContact CG1-CD1 3.48Å; F696-L701 HydrophobicContact CE1-CD2 4.33Å; F696-L701 HydrophobicContact CE1-CG 4.02Å; W698-L701 WeakPolarHBondContact O-CB 3.24Å; W698-L701 WeakPolarHBondContact O-CD1 3.34Å; W698-L701 WeakPolarHBondContact O-CG 2.93Å; W698-L701 PolarHBondContact O-N 3.27Å; W698-L701 VanDerWaalsContact O-N 3.13Å; W699-L701 VanDerWaalsContact C-N 3.3Å; L701-L703 HydrophobicContact CB-CG 4.44Å
702	E	90.1	Very high	96.2	Very high	144 Å²	144	68.1 Å²	68.1	67%	0.673	34%	0.336	S	S	*	.			trans	-101.4	98	170.2	-64.3	-179.4	146.4	0	0	107.3
703	L	81.9	Confident	96	Very high	120 Å²	120	64.6 Å²	64.6	63%	0.628	33%	0.325	S	S	*	.			trans	-90.5	0	-179.4	-68.3	-171.8	0	0	0	113.4	W163 K489 L701	W163-L703 HydrophobicContact CD2-CB 4.34Å; W163-L703 HydrophobicContact CD2-CD1 3.65Å; W163-L703 HydrophobicContact CD2-CG 3.91Å; W163-L703 HydrophobicContact CE3-CD1 3.99Å; W163-L703 HydrophobicContact CE3-CG 4.14Å; W163-L703 HydrophobicContact CG-CB 4.14Å; W163-L703 HydrophobicContact CG-CD1 4.26Å; W163-L703 HydrophobicContact CG-CG 4.23Å; W163-L703 HydrophobicContact CH2-CD1 3.96Å; W163-L703 HydrophobicContact CZ2-CD1 3.6Å; W163-L703 HydrophobicContact CZ3-CD1 4.12Å; K489-L703 HydrophobicContact CB-CD1 4.18Å; L701-L703 HydrophobicContact CB-CG 4.44Å

Retrieved 703 of 703 residues in 263 ms (Link to these results)

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