A0A3Q0KT37_SCHMA Loading...

Transforming growth factor-beta-induced protein ig-h3 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KT37, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 667 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.9	Low	69.2	Low	210 Å²	210	136.7 Å²	136.7	100%	1.034	65%	0.65	S	S	*	*				0	-41.3	0	-116.4	164.1	74.7	0	0	113.9	F4	M1-F4 PolarHBondContact O-N 3.04Å
2	M	65.2	Low	68.8	Low	163 Å²	163	134.1 Å²	134.1	80%	0.803	64%	0.636	S	S	*	*	H	α-helix	trans	-69.8	-38.2	-176.5	-139.1	164.8	118.9	0	0	114.4	F4 K5 L6	M2-F4 VanDerWaalsContact C-N 3.33Å; M2-F4 PolarHBondContact O-N 3.43Å; M2-K5 PolarHBondContact O-N 2.84Å; M2-L6 PolarHBondContact O-N 2.81Å
3	M	64.3	Low	68	Low	174 Å²	174	131.7 Å²	131.7	86%	0.857	63%	0.629	S	S	*	*	H	α-helix	trans	-65.1	-32.4	175.9	-83.9	-165.1	174.9	0	0	113.8	K5 L6 W7	M3-K5 VanDerWaalsContact C-N 3.32Å; M3-K5 PolarHBondContact O-N 2.7Å; M3-L6 PolarHBondContact O-N 2.87Å; M3-W7 PolarHBondContact O-N 3.44Å
4	F	69.5	Low	66.8	Low	155 Å²	155	129.8 Å²	129.8	68%	0.68	62%	0.623	S	S	*	*	H	α-helix	trans	-68.2	-34.1	-179.8	-148.8	-95.1	0	0	0	111.7	M1 M2 I8	M1-F4 PolarHBondContact O-N 3.04Å; M2-F4 VanDerWaalsContact C-N 3.33Å; M2-F4 PolarHBondContact O-N 3.43Å; F4-I8 HydrophobicContact CD1-CD1 3.86Å; F4-I8 HydrophobicContact CE1-CD1 4.07Å; F4-I8 WeakPolarHBondContact O-CG1 3.35Å; F4-I8 PolarHBondContact O-N 3.17Å
5	K	71.1	Confident	65.9	Low	149 Å²	149	128.3 Å²	128.3	65%	0.648	62%	0.615	S	S	*	*	H	α-helix	trans	-67.5	-38.3	174.2	-76.7	-171.9	173.3	-174.6	0	112.5	M2 M3 W7 I9	M2-K5 PolarHBondContact O-N 2.84Å; M3-K5 VanDerWaalsContact C-N 3.32Å; M3-K5 PolarHBondContact O-N 2.7Å; K5-W7 VanDerWaalsContact C-N 3.33Å; K5-W7 PolarHBondContact O-N 3.42Å; K5-I9 WeakPolarHBondContact O-CG1 3.28Å; K5-I9 PolarHBondContact O-N 2.9Å
6	L	70.5	Confident	64.9	Low	118 Å²	118	130.6 Å²	130.6	62%	0.618	62%	0.617	S	S	*	*	H	α-helix	trans	-65.2	-37.5	178.6	-119.4	92.6	0	0	0	112.2	M2 M3 I9 L10	M2-L6 PolarHBondContact O-N 2.81Å; M3-L6 PolarHBondContact O-N 2.87Å; L6-I9 PolarHBondContact O-N 3.08Å; L6-L10 PolarHBondContact O-N 3.28Å; L6-L10 VanDerWaalsContact O-N 3.11Å
7	W	72.6	Confident	63.7	Low	182 Å²	182	128.2 Å²	128.2	69%	0.689	61%	0.608	S	S	*	*	H	α-helix	trans	-69.2	-38.5	-178.4	-137.6	57.2	0	0	0	112.6	M3 K5 I9 L10 I11	M3-W7 PolarHBondContact O-N 3.44Å; K5-W7 VanDerWaalsContact C-N 3.33Å; K5-W7 PolarHBondContact O-N 3.42Å; W7-I9 VanDerWaalsContact C-N 3.33Å; W7-I9 PolarHBondContact O-N 2.89Å; W7-L10 PolarHBondContact O-N 3.44Å; W7-I11 HydrophobicContact CD2-CD1 4.46Å; W7-I11 HydrophobicContact CE3-CD1 3.95Å; W7-I11 HydrophobicContact CZ3-CD1 4.24Å; W7-I11 WeakPolarHBondContact O-CG1 3.48Å; W7-I11 PolarHBondContact O-N 2.69Å; W7-I11 VanDerWaalsContact O-N 3.08Å
8	I	73.3	Confident	62.6	Low	79 Å²	79	126.2 Å²	126.2	41%	0.405	61%	0.606	S	S	.	*	H	α-helix	trans	-63.7	-39.8	175	-66.8	167	0	0	0	111.1	F4 I11 H12	F4-I8 HydrophobicContact CD1-CD1 3.86Å; F4-I8 HydrophobicContact CE1-CD1 4.07Å; F4-I8 WeakPolarHBondContact O-CG1 3.35Å; F4-I8 PolarHBondContact O-N 3.17Å; I8-I11 PolarHBondContact O-N 3.32Å; I8-H12 PolarHBondContact O-CD2 3.43Å; I8-H12 PolarHBondContact O-N 3.45Å
9	I	75.2	Confident	61.6	Low	98 Å²	98	124.4 Å²	124.4	50%	0.503	60%	0.603	S	S	.	*	H	α-helix	trans	-65.2	-41.1	177.1	-65.2	165.4	0	0	0	110.7	K5 L6 W7 H12 L13	K5-I9 WeakPolarHBondContact O-CG1 3.28Å; K5-I9 PolarHBondContact O-N 2.9Å; L6-I9 PolarHBondContact O-N 3.08Å; W7-I9 VanDerWaalsContact C-N 3.33Å; W7-I9 PolarHBondContact O-N 2.89Å; I9-H12 PolarHBondContact O-N 2.85Å; I9-L13 HydrophobicContact CG2-CD1 3.89Å; I9-L13 PolarHBondContact O-N 2.91Å
10	L	71.7	Confident	60.4	Low	99 Å²	99	123.4 Å²	123.4	52%	0.518	60%	0.6	S	S	.	*	H	α-helix	trans	-65.1	-40.8	179	-130.6	96.1	0	0	0	112.2	L6 W7 L13 L14	L6-L10 PolarHBondContact O-N 3.28Å; L6-L10 VanDerWaalsContact O-N 3.11Å; W7-L10 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 2.75Å; L10-L14 HydrophobicContact CD2-CD1 4.33Å; L10-L14 WeakPolarHBondContact O-CB 3.29Å; L10-L14 PolarHBondContact O-N 2.76Å
11	I	70.4	Confident	59.2	Low	77 Å²	77	126.9 Å²	126.9	40%	0.395	61%	0.608	S	S	.	*	H	α-helix	trans	-63.9	-42.6	176.6	-68.1	166.8	0	0	0	110.5	W7 I8 L14 Q15	W7-I11 HydrophobicContact CD2-CD1 4.46Å; W7-I11 HydrophobicContact CE3-CD1 3.95Å; W7-I11 HydrophobicContact CZ3-CD1 4.24Å; W7-I11 WeakPolarHBondContact O-CG1 3.48Å; W7-I11 PolarHBondContact O-N 2.69Å; W7-I11 VanDerWaalsContact O-N 3.08Å; I8-I11 PolarHBondContact O-N 3.32Å; I11-L14 PolarHBondContact O-N 3.32Å; I11-Q15 WeakPolarHBondContact O-CB 3.36Å; I11-Q15 WeakPolarHBondContact O-CG 3.42Å; I11-Q15 PolarHBondContact O-N 2.94Å
12	H	64	Low	58.3	Low	105 Å²	105	121.5 Å²	121.5	49%	0.486	59%	0.587	S	S	.	*	H	α-helix	trans	-66.1	-37.2	175.5	-80.6	-52.2	0	0	0	112.7	I8 I9 Q15 Y16	I8-H12 PolarHBondContact O-CD2 3.43Å; I8-H12 PolarHBondContact O-N 3.45Å; I9-H12 PolarHBondContact O-N 2.85Å; H12-Q15 PolarHBondContact O-N 3.25Å; H12-Y16 WeakPolarHBondContact O-CB 3.36Å; H12-Y16 PolarHBondContact O-N 3.22Å
13	L	58.2	Low	56.9	Low	103 Å²	103	121.3 Å²	121.3	54%	0.539	59%	0.585	S	S	.	*	H	α-helix	trans	-66.5	-39.5	174.1	-110.5	121.6	0	0	0	112.2	I9 L10 Y16 L17	I9-L13 HydrophobicContact CG2-CD1 3.89Å; I9-L13 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 2.75Å; L13-Y16 PolarHBondContact O-N 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.14Å
14	L	51.7	Low	55.5	Low	105 Å²	105	122.3 Å²	122.3	55%	0.55	58%	0.58	S	S	.	*	H	α-helix	trans	-68.3	-37.7	175.4	-97.3	135.5	0	0	0	112.2	L10 I11 L17 T18	L10-L14 HydrophobicContact CD2-CD1 4.33Å; L10-L14 WeakPolarHBondContact O-CB 3.29Å; L10-L14 PolarHBondContact O-N 2.76Å; I11-L14 PolarHBondContact O-N 3.32Å; L14-L17 PolarHBondContact O-N 3.12Å; L14-T18 PolarHBondContact O-N 3.36Å; L14-T18 PolarHBondContact O-OG1 2.86Å
15	Q	52.5	Low	54.3	Low	108 Å²	108	118.8 Å²	118.8	51%	0.505	57%	0.571	S	S	.	*	H	α-helix	trans	-65.2	-42.6	170.7	-80.3	179.9	-29.6	0	0	111.5	I11 H12 L17 T18 V19	I11-Q15 WeakPolarHBondContact O-CB 3.36Å; I11-Q15 WeakPolarHBondContact O-CG 3.42Å; I11-Q15 PolarHBondContact O-N 2.94Å; H12-Q15 PolarHBondContact O-N 3.25Å; Q15-L17 PolarHBondContact O-N 2.89Å; Q15-T18 WeakPolarHBondContact CA-OG1 3.4Å; Q15-T18 PolarHBondContact O-N 3.49Å; Q15-T18 PolarHBondContact O-OG1 3Å; Q15-V19 WeakPolarHBondContact O-CB 3.28Å; Q15-V19 WeakPolarHBondContact O-CG2 2.88Å; Q15-V19 PolarHBondContact O-N 3.02Å
16	Y	50.4	Low	52.8	Low	165 Å²	165	117.7 Å²	117.7	65%	0.647	57%	0.572	S	S	*	*	H	α-helix	trans	-63.2	-42	173.9	-103.1	-89.2	0	0	0	111.6	H12 L13 V19 I20	H12-Y16 WeakPolarHBondContact O-CB 3.36Å; H12-Y16 PolarHBondContact O-N 3.22Å; L13-Y16 PolarHBondContact O-N 3.24Å; Y16-V19 CarbonylContact O-C 3.55Å; Y16-V19 PolarHBondContact O-N 2.8Å; Y16-I20 HydrophobicContact CD1-CD1 4.47Å; Y16-I20 WeakPolarHBondContact O-CB 3.09Å; Y16-I20 WeakPolarHBondContact O-CD1 3.08Å; Y16-I20 WeakPolarHBondContact O-CG1 3.45Å; Y16-I20 PolarHBondContact O-N 2.03Å
17	L	44.3	Very low	51.9	Low	89 Å²	89	120 Å²	120	47%	0.466	58%	0.578	S	S	.	*	H	α-helix	trans	-68.9	-34.8	178.6	-78.5	162.7	0	0	0	112.9	L13 L14 Q15 I20 Y21	L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.14Å; L14-L17 PolarHBondContact O-N 3.12Å; Q15-L17 PolarHBondContact O-N 2.89Å; L17-I20 PolarHBondContact O-N 3.22Å; L17-Y21 PolarHBondContact O-N 3.12Å
18	T	43.9	Very low	51.4	Low	93 Å²	93	116.1 Å²	116.1	57%	0.571	57%	0.567	S	S	*	*	H	α-helix	trans	-70.3	-34.4	172.4	31.4	0	0	0	0	112.1	L14 Q15 T22	L14-T18 PolarHBondContact O-N 3.36Å; L14-T18 PolarHBondContact O-OG1 2.86Å; Q15-T18 WeakPolarHBondContact CA-OG1 3.4Å; Q15-T18 PolarHBondContact O-N 3.49Å; Q15-T18 PolarHBondContact O-OG1 3Å; T18-T22 PolarHBondContact O-N 3.38Å
19	V	43.9	Very low	51.5	Low	91 Å²	91	115.5 Å²	115.5	55%	0.552	57%	0.573	S	S	*	*	H	α-helix	trans	-72.1	-30	172.1	173.7	0	0	0	0	112	Q15 Y16 T22	Q15-V19 WeakPolarHBondContact O-CB 3.28Å; Q15-V19 WeakPolarHBondContact O-CG2 2.88Å; Q15-V19 PolarHBondContact O-N 3.02Å; Y16-V19 CarbonylContact O-C 3.55Å; Y16-V19 PolarHBondContact O-N 2.8Å; V19-T22 PolarHBondContact O-OG1 2.83Å
20	I	37.5	Very low	51.9	Low	104 Å²	104	116.9 Å²	116.9	53%	0.533	57%	0.573	S	S	.	*	H	α-helix	trans	-75.1	-30.6	175.9	-69.2	161.8	0	0	0	111.2	Y16 L17	Y16-I20 HydrophobicContact CD1-CD1 4.47Å; Y16-I20 WeakPolarHBondContact O-CB 3.09Å; Y16-I20 WeakPolarHBondContact O-CD1 3.08Å; Y16-I20 WeakPolarHBondContact O-CG1 3.45Å; Y16-I20 PolarHBondContact O-N 2.03Å; L17-I20 PolarHBondContact O-N 3.22Å
21	Y	36.1	Very low	52.6	Low	197 Å²	197	113.3 Å²	113.3	77%	0.773	56%	0.556	S	S	*	*	H	α-helix	trans	-77.3	-18.2	176.2	-103.2	-83.1	0	0	0	114.5	L17 Q23	L17-Y21 PolarHBondContact O-N 3.12Å; Y21-Q23 PolarHBondContact O-N 3.33Å
22	T	38.4	Very low	53.3	Low	97 Å²	97	111.1 Å²	111.1	60%	0.595	55%	0.547	S	S	*	.	S	Bend	trans	-72.1	85	157.2	44.8	0	0	0	0	107.5	T18 V19 Y24	T18-T22 PolarHBondContact O-N 3.38Å; V19-T22 PolarHBondContact O-OG1 2.83Å; T22-Y24 PolarHBondContact O-N 3.12Å
23	Q	36.4	Very low	54.5	Low	160 Å²	160	107.5 Å²	107.5	75%	0.748	53%	0.533	S	S	*	.			trans	-32.7	114.2	170.8	-84.5	173.5	-37.5	0	0	109.8	Y21 V25	Y21-Q23 PolarHBondContact O-N 3.33Å; Q23-V25 PolarHBondContact O-N 3.22Å
24	Y	34.8	Very low	56	Low	195 Å²	195	103.1 Å²	103.1	77%	0.765	51%	0.509	S	S	*	.			trans	-40.3	92.3	159.3	-99.1	-111.2	0	0	0	108.6	T22 N26	T22-Y24 PolarHBondContact O-N 3.12Å; Y24-N26 PolarHBondContact O-N 3.28Å
25	V	43.7	Very low	57.7	Low	81 Å²	81	98.2 Å²	98.2	49%	0.491	48%	0.483	S	S	.	.			trans	-71.3	88.6	154	-173.7	0	0	0	0	102.7	Q23 K27 N66	Q23-V25 PolarHBondContact O-N 3.22Å; V25-K27 HydrophobicContact CB-CG 4.35Å; V25-K27 HydrophobicContact CG1-CG 3.71Å; V25-K27 PolarHBondContact O-N 2.99Å; V25-N66 WeakPolarHBondContact CG1-ND2 3.29Å
26	N	40	Very low	59.2	Low	125 Å²	125	96.7 Å²	96.7	67%	0.668	47%	0.473	S	S	*	.			trans	-55.8	87.6	164.7	-102	-20.5	0	0	0	106.1	Y24 E28	Y24-N26 PolarHBondContact O-N 3.28Å; N26-E28 PolarHBondContact O-N 3Å
27	K	51.3	Low	60.9	Low	168 Å²	168	88.9 Å²	88.9	73%	0.73	44%	0.442	S	S	*	.			trans	-77.9	86.7	175.7	-73.4	-173.2	179.8	-177.7	0	105.8	V25 A29	V25-K27 HydrophobicContact CB-CG 4.35Å; V25-K27 HydrophobicContact CG1-CG 3.71Å; V25-K27 PolarHBondContact O-N 2.99Å; K27-A29 PolarHBondContact O-N 3.41Å
28	E	62.4	Low	62.5	Low	100 Å²	100	89 Å²	89	47%	0.467	44%	0.441	S	S	.	.			trans	-51	136.2	153.5	-65.6	-173.4	160.2	0	0	107.4	N26 Y30 T31	N26-E28 PolarHBondContact O-N 3Å; E28-Y30 PolarHBondContact O-N 3.27Å; E28-T31 HydrophobicContact CB-CG2 3.96Å; E28-T31 PolarHBondContact O-N 2.73Å; E28-T31 PolarHBondContact O-OG1 3.24Å
29	A	74.7	Confident	64.2	Low	65 Å²	65	86.8 Å²	86.8	54%	0.537	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	138	-179.9	0	0	0	0	0	109.5	K27 T31	K27-A29 PolarHBondContact O-N 3.41Å; A29-T31 VanDerWaalsContact C-N 3.32Å; A29-T31 PolarHBondContact O-N 3.44Å
30	Y	83.4	Confident	65.8	Low	128 Å²	128	85.1 Å²	85.1	50%	0.502	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	18	176.4	-35.8	-67.7	0	0	0	117	E28 C69 Y72	E28-Y30 PolarHBondContact O-N 3.27Å; Y30-C69 VanDerWaalsContact C-SG 3.6Å; Y30-C69 WeakPolarHBondContact O-CB 3.48Å; Y30-C69 PolarHBondContact O-N 3.19Å; Y30-C69 PolarHBondContact O-SG 3.17Å; Y30-C69 VanDerWaalsContact O-SG 3.32Å; Y30-Y72 VanDerWaalsContact CB-CE1 3.45Å; Y30-Y72 HydrophobicContact CD1-CD1 4.13Å; Y30-Y72 AromaticContact CD1-CE1 3.29Å; Y30-Y72 HydrophobicContact CD1-CE1 3.29Å; Y30-Y72 AromaticContact CD1-CZ 3.62Å; Y30-Y72 HydrophobicContact CD2-CD1 4.3Å; Y30-Y72 HydrophobicContact CD2-CE1 4.04Å; Y30-Y72 HydrophobicContact CE1-CE1 4.02Å; Y30-Y72 AromaticContact CG-CD1 3.67Å; Y30-Y72 HydrophobicContact CG-CD1 3.67Å; Y30-Y72 AromaticContact CG-CE1 3.3Å; Y30-Y72 HydrophobicContact CG-CE1 3.3Å
31	T	86	Confident	67.2	Low	24 Å²	24	90.1 Å²	90.1	15%	0.147	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	139.1	167.4	57.7	0	0	0	0	111.8	E28 A29 D67 C69 C82	E28-T31 HydrophobicContact CB-CG2 3.96Å; E28-T31 PolarHBondContact O-N 2.73Å; E28-T31 PolarHBondContact O-OG1 3.24Å; A29-T31 VanDerWaalsContact C-N 3.32Å; A29-T31 PolarHBondContact O-N 3.44Å; T31-D67 CarbonylContact C-O 3.6Å; T31-D67 VanDerWaalsContact CA-O 3.32Å; T31-D67 WeakPolarHBondContact CA-O 3.39Å; T31-C69 PolarHBondContact O-SG 3.15Å; T31-C82 HydrophobicContact CG2-CB 4.3Å
32	C	86.7	Confident	69	Low	31 Å²	31	87.9 Å²	87.9	21%	0.209	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.8	176.5	-79	0	0	0	0	109.9	Y34 N66 D67 C69	C32-Y34 HydrophobicContact CB-CE2 4.31Å; C32-Y34 VanDerWaalsContact O-CD2 3.31Å; C32-Y34 WeakPolarHBondContact O-CD2 3.49Å; C32-N66 WeakPolarHBondContact O-CA 3.31Å; C32-D67 PolarHBondContact N-O 3.22Å; C32-D67 PolarHBondContact O-N 2.94Å; C32-C69 VanDerWaalsContact CA-SG 3.59Å; C32-C69 HydrophobicContact CB-CB 3.93Å; C32-C69 WeakPolarHBondContact CB-SG 3.11Å; C32-C69 PolarHBondContact N-SG 2.8Å; C32-C69 WeakPolarHBondContact SG-CA 3.41Å; C32-C69 WeakPolarHBondContact SG-CB 3.49Å; C32-C69 CovalentContact SG-SG 2.04Å; C32-C69 PolarHBondContact SG-SG 2.83Å
33	P	87.5	Confident	70.6	Confident	29 Å²	29	91.6 Å²	91.6	19%	0.188	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136.9	176.8	33.4	-37.4	0	0	0	110.5	I48 V52	P33-I48 HydrophobicContact CB-CD1 4.11Å; P33-I48 HydrophobicContact CG-CD1 4.1Å; P33-I48 HydrophobicContact CG-CG1 4.37Å; P33-I48 VanDerWaalsContact O-CG1 3.24Å; P33-I48 WeakPolarHBondContact O-CG1 3.22Å; P33-V52 HydrophobicContact CB-CG2 3.33Å; P33-V52 HydrophobicContact CG-CG2 3.39Å
34	Y	89.5	Confident	72.9	Confident	10 Å²	10	84.5 Å²	84.5	4%	0.039	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.1	168.4	-72.4	-104.5	0	0	0	109.1	C32 L45 G46 W47 F64 E65 D67 C68 L197	C32-Y34 HydrophobicContact CB-CE2 4.31Å; C32-Y34 VanDerWaalsContact O-CD2 3.31Å; C32-Y34 WeakPolarHBondContact O-CD2 3.49Å; Y34-L45 HydrophobicContact CD1-CB 4.43Å; Y34-L45 HydrophobicContact CG-CB 4.47Å; Y34-G46 WeakPolarHBondContact CA-O 3.15Å; Y34-W47 HydrophobicContact CD1-CB 4.13Å; Y34-W47 HydrophobicContact CE1-CB 3.77Å; Y34-W47 AromaticContact CE1-CD1 3.83Å; Y34-W47 HydrophobicContact CE1-CG 4.23Å; Y34-W47 AromaticContact CZ-CD1 3.97Å; Y34-F64 CarbonylContact O-C 3.53Å; Y34-F64 VanDerWaalsContact O-CA 3.23Å; Y34-F64 WeakPolarHBondContact O-CA 3.5Å; Y34-E65 PolarHBondContact N-O 3.49Å; Y34-E65 PolarHBondContact O-N 2.96Å; Y34-D67 HydrophobicContact CD2-CB 3.68Å; Y34-D67 HydrophobicContact CE2-CB 3.79Å; Y34-D67 HydrophobicContact CG-CB 4.49Å; Y34-C68 VanDerWaalsContact CE2-O 3.3Å; Y34-C68 WeakPolarHBondContact CE2-O 3.3Å; Y34-C68 PolarHBondContact OH-O 3.22Å; Y34-L197 WeakPolarHBondContact CE1-O 3.21Å
35	L	87.6	Confident	75.3	Confident	2 Å²	2	76.8 Å²	76.8	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.5	177.8	-176.2	73	0	0	0	110.1	M37 W39 G46 I48 V62 F64 L188 V300	L35-M37 PolarHBondContact O-N 3.5Å; L35-W39 HydrophobicContact CD2-CH2 4.5Å; L35-G46 PolarHBondContact N-O 2.98Å; L35-G46 PolarHBondContact O-N 3.36Å; L35-I48 HydrophobicContact CB-CG2 3.6Å; L35-V62 HydrophobicContact CD1-CB 3.65Å; L35-V62 HydrophobicContact CD1-CG1 4Å; L35-V62 HydrophobicContact CD1-CG2 4Å; L35-F64 HydrophobicContact CD1-CD1 4.11Å; L35-F64 HydrophobicContact CD1-CE1 3.69Å; L35-F64 HydrophobicContact CD1-CZ 4.12Å; L35-L188 HydrophobicContact CB-CD2 4.05Å; L35-L188 HydrophobicContact CD2-CD1 3.77Å; L35-L188 HydrophobicContact CD2-CD2 3.82Å; L35-L188 HydrophobicContact CD2-CG 3.6Å; L35-V300 HydrophobicContact CD2-CG1 4.36Å
36	W	85.4	Confident	77.5	Confident	77 Å²	77	72.9 Å²	72.9	29%	0.292	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	111.5	175.3	-159	48.6	0	0	0	111.2	Q38 R43 L45 K63	W36-Q38 VanDerWaalsContact C-N 3.28Å; W36-Q38 HydrophobicContact CD2-CB 4.34Å; W36-Q38 HydrophobicContact CD2-CG 3.85Å; W36-Q38 HydrophobicContact CE3-CB 3.89Å; W36-Q38 HydrophobicContact CE3-CG 3.25Å; W36-Q38 HydrophobicContact CG-CG 4.47Å; W36-Q38 HydrophobicContact CH2-CB 4.07Å; W36-Q38 HydrophobicContact CH2-CG 4.34Å; W36-Q38 HydrophobicContact CZ3-CB 3.73Å; W36-Q38 HydrophobicContact CZ3-CG 3.54Å; W36-Q38 PolarHBondContact O-N 3.43Å; W36-R43 HydrophobicContact CZ2-CG 4.21Å; W36-L45 HydrophobicContact CB-CD2 4.33Å; W36-L45 HydrophobicContact CG-CD2 4.42Å; W36-K63 HydrophobicContact CB-CB 4.28Å; W36-K63 HydrophobicContact CE3-CD 4.39Å; W36-K63 PolarHBondContact N-O 3.49Å
37	M	84.8	Confident	79.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	31%	0.313	C	S	.	.			trans	-84.6	66.1	-179.6	-61.5	174.3	64.1	0	0	111.1	L35 W39 K40 T44 A195 D297	L35-M37 PolarHBondContact O-N 3.5Å; M37-W39 HydrophobicContact CB-CD2 4.45Å; M37-W39 HydrophobicContact CB-CH2 3.77Å; M37-W39 HydrophobicContact CB-CZ2 3.65Å; M37-W39 HydrophobicContact CB-CZ3 4.3Å; M37-W39 HydrophobicContact CE-CZ2 3.72Å; M37-W39 HydrophobicContact CG-CH2 3.7Å; M37-W39 HydrophobicContact CG-CZ2 3.63Å; M37-W39 PolarHBondContact O-N 3.26Å; M37-W39 HydrophobicContact SD-CZ2 4.47Å; M37-K40 HydrophobicContact CB-CG 4.12Å; M37-K40 HydrophobicContact CE-CG 4.18Å; M37-K40 WeakPolarHBondContact O-CB 3.48Å; M37-K40 PolarHBondContact O-N 2.91Å; M37-T44 WeakPolarHBondContact CB-O 3.41Å; M37-T44 PolarHBondContact N-O 2.83Å; M37-T44 HydrophobicContact SD-CG2 3.93Å; M37-A195 HydrophobicContact CE-CB 4.11Å; M37-A195 HydrophobicContact SD-CB 4.13Å; M37-D297 HydrophobicContact CE-CB 4.04Å
38	Q	78.6	Confident	81.5	Confident	93 Å²	93	60.3 Å²	60.3	44%	0.435	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.4	-169.6	-23.2	-176.1	-74.6	0	0	115	W36 K40	W36-Q38 VanDerWaalsContact C-N 3.28Å; W36-Q38 HydrophobicContact CD2-CB 4.34Å; W36-Q38 HydrophobicContact CD2-CG 3.85Å; W36-Q38 HydrophobicContact CE3-CB 3.89Å; W36-Q38 HydrophobicContact CE3-CG 3.25Å; W36-Q38 HydrophobicContact CG-CG 4.47Å; W36-Q38 HydrophobicContact CH2-CB 4.07Å; W36-Q38 HydrophobicContact CH2-CG 4.34Å; W36-Q38 HydrophobicContact CZ3-CB 3.73Å; W36-Q38 HydrophobicContact CZ3-CG 3.54Å; W36-Q38 PolarHBondContact O-N 3.43Å; Q38-K40 VanDerWaalsContact C-N 3.26Å
39	W	80.4	Confident	82.1	Confident	46 Å²	46	59 Å²	59	17%	0.174	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-6	179.1	60.3	82.6	0	0	0	113.5	L35 M37 L188 D297 V300 R319	L35-W39 HydrophobicContact CD2-CH2 4.5Å; M37-W39 HydrophobicContact CB-CD2 4.45Å; M37-W39 HydrophobicContact CB-CH2 3.77Å; M37-W39 HydrophobicContact CB-CZ2 3.65Å; M37-W39 HydrophobicContact CB-CZ3 4.3Å; M37-W39 HydrophobicContact CE-CZ2 3.72Å; M37-W39 HydrophobicContact CG-CH2 3.7Å; M37-W39 HydrophobicContact CG-CZ2 3.63Å; M37-W39 PolarHBondContact O-N 3.26Å; M37-W39 HydrophobicContact SD-CZ2 4.47Å; W39-L188 HydrophobicContact CH2-CD1 4.47Å; W39-D297 WeakPolarHBondContact CZ2-O 3.04Å; W39-D297 PolarHBondContact NE1-OD1 3.23Å; W39-V300 HydrophobicContact CE3-CB 4.49Å; W39-V300 HydrophobicContact CH2-CB 3.68Å; W39-V300 HydrophobicContact CH2-CG1 3.12Å; W39-V300 HydrophobicContact CZ2-CB 4.47Å; W39-V300 HydrophobicContact CZ2-CG1 3.68Å; W39-V300 HydrophobicContact CZ3-CB 3.66Å; W39-V300 HydrophobicContact CZ3-CG1 3.68Å; W39-R319 VanDerWaalsContact CD1-NH2 3.32Å; W39-R319 VanDerWaalsContact NE1-NH2 3.12Å
40	K	75.8	Confident	82	Confident	56 Å²	56	58.5 Å²	58.5	24%	0.243	28%	0.283	C	S	.	.	S	Bend	trans	-81.4	143.2	171.4	-68.3	-80.3	176.8	157.1	0	108.8	M37 Q38 K42 D212 D297	M37-K40 HydrophobicContact CB-CG 4.12Å; M37-K40 HydrophobicContact CE-CG 4.18Å; M37-K40 WeakPolarHBondContact O-CB 3.48Å; M37-K40 PolarHBondContact O-N 2.91Å; Q38-K40 VanDerWaalsContact C-N 3.26Å; K40-K42 CarbonylContact C-O 3.43Å; K40-K42 WeakPolarHBondContact CB-O 3.46Å; K40-K42 PolarHBondContact O-N 3.47Å; K40-D212 VanDerWaalsContact CE-OD2 3.29Å; K40-D212 WeakPolarHBondContact CE-OD2 3.17Å; K40-D212 IonicContact NZ-OD2 3.21Å; K40-D212 PolarHBondContact NZ-OD2 3.21Å; K40-D297 WeakPolarHBondContact CE-OD1 3.43Å; K40-D297 WeakPolarHBondContact CE-OD2 3.28Å; K40-D297 IonicContact NZ-OD1 3.85Å; K40-D297 IonicContact NZ-OD2 3.66Å; K40-D297 PolarHBondContact NZ-OD2 3.46Å
41	Q	68.7	Low	81.5	Confident	208 Å²	208	55.7 Å²	55.7	97%	0.972	28%	0.282	S	S	*	.	S	Bend	trans	-62	-33.4	176.5	-71.1	-176.2	-12.7	0	0	111.9
42	K	72.2	Confident	81.1	Confident	151 Å²	151	56.2 Å²	56.2	66%	0.657	29%	0.285	S	S	*	.	S	Bend	trans	-96.2	150.7	174.1	-64.4	-178.9	-179.2	176.8	0	109.4	K40 T44	K40-K42 CarbonylContact C-O 3.43Å; K40-K42 WeakPolarHBondContact CB-O 3.46Å; K40-K42 PolarHBondContact O-N 3.47Å; K42-T44 PolarHBondContact O-N 2.86Å; K42-T44 PolarHBondContact O-OG1 3.37Å
43	R	72.6	Confident	80.5	Confident	175 Å²	175	58.6 Å²	58.6	66%	0.66	30%	0.302	S	S	*	.			trans	-65.9	96.3	174	-170.2	-170.9	178	170	-3.9	108.9	W36 E65	W36-R43 HydrophobicContact CZ2-CG 4.21Å; R43-E65 IonicContact CZ-OE1 3.23Å; R43-E65 IonicContact CZ-OE2 2.75Å; R43-E65 IonicContact NE-OE2 2.71Å; R43-E65 IonicContact NH2-OE1 3.81Å; R43-E65 PolarHBondContact NH2-OE1 3.19Å; R43-E65 IonicContact NH2-OE2 3.82Å; R43-E65 PolarHBondContact NH2-OE2 3.14Å
44	T	83.7	Confident	79.8	Confident	11 Å²	11	63.8 Å²	63.8	7%	0.067	32%	0.318	C	S	.	.			trans	-110.7	131.3	-178.7	-53.6	0	0	0	0	110.8	M37 K42 L197	M37-T44 WeakPolarHBondContact CB-O 3.41Å; M37-T44 PolarHBondContact N-O 2.83Å; M37-T44 HydrophobicContact SD-CG2 3.93Å; K42-T44 PolarHBondContact O-N 2.86Å; K42-T44 PolarHBondContact O-OG1 3.37Å; T44-L197 HydrophobicContact CG2-CD1 4.25Å; T44-L197 HydrophobicContact CG2-CD2 3.56Å
45	L	87.1	Confident	79	Confident	32 Å²	32	63.5 Å²	63.5	17%	0.168	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.6	174.9	-74.5	173.5	0	0	0	109.1	Y34 W36 E65 L197	Y34-L45 HydrophobicContact CD1-CB 4.43Å; Y34-L45 HydrophobicContact CG-CB 4.47Å; W36-L45 HydrophobicContact CB-CD2 4.33Å; W36-L45 HydrophobicContact CG-CD2 4.42Å; L45-E65 HydrophobicContact CD1-CB 4.4Å; L45-E65 HydrophobicContact CD1-CG 4.42Å; L45-E65 HydrophobicContact CD2-CB 3.78Å; L45-L197 VanDerWaalsContact O-CD2 3.28Å; L45-L197 WeakPolarHBondContact O-CD2 3.36Å
46	G	89.7	Confident	78.3	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.9	176.4	0	0	0	0	0	111	Y34 L35	Y34-G46 WeakPolarHBondContact CA-O 3.15Å; L35-G46 PolarHBondContact N-O 2.98Å; L35-G46 PolarHBondContact O-N 3.36Å
47	W	89.5	Confident	77.7	Confident	19 Å²	19	69.2 Å²	69.2	7%	0.072	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.4	171.3	-179.9	80.4	0	0	0	110.1	Y34 C49 P70 S162 T189 L196 P199	Y34-W47 HydrophobicContact CD1-CB 4.13Å; Y34-W47 HydrophobicContact CE1-CB 3.77Å; Y34-W47 AromaticContact CE1-CD1 3.83Å; Y34-W47 HydrophobicContact CE1-CG 4.23Å; Y34-W47 AromaticContact CZ-CD1 3.97Å; W47-C49 HydrophobicContact CH2-CB 4.01Å; W47-C49 HydrophobicContact CZ3-CB 4.18Å; W47-P70 VanDerWaalsContact NE1-CG 3.31Å; W47-S162 WeakPolarHBondContact CH2-O 3.3Å; W47-T189 HydrophobicContact CZ3-CG2 4.26Å; W47-T189 VanDerWaalsContact CZ3-OG1 3.28Å; W47-T189 WeakPolarHBondContact CZ3-OG1 3.45Å; W47-L196 HydrophobicContact CB-CG 4.42Å; W47-L196 VanDerWaalsContact CB-O 3.3Å; W47-L196 WeakPolarHBondContact CB-O 3.39Å; W47-L196 HydrophobicContact CD2-CD2 4.27Å; W47-L196 HydrophobicContact CE3-CD2 3.65Å; W47-L196 HydrophobicContact CE3-CG 4.37Å; W47-L196 HydrophobicContact CZ3-CD2 4Å; W47-L196 PolarHBondContact N-O 3.24Å; W47-P199 HydrophobicContact CB-CG 4.43Å; W47-P199 HydrophobicContact CD2-CG 4.1Å; W47-P199 HydrophobicContact CG-CG 3.84Å
48	I	85.9	Confident	76.9	Confident	9 Å²	9	75.2 Å²	75.2	5%	0.046	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-123.1	142.1	178.1	59.6	178.9	0	0	0	112.2	P33 L35 L55 F64 G187 L188	P33-I48 HydrophobicContact CB-CD1 4.11Å; P33-I48 HydrophobicContact CG-CD1 4.1Å; P33-I48 HydrophobicContact CG-CG1 4.37Å; P33-I48 VanDerWaalsContact O-CG1 3.24Å; P33-I48 WeakPolarHBondContact O-CG1 3.22Å; L35-I48 HydrophobicContact CB-CG2 3.6Å; I48-L55 HydrophobicContact CD1-CD1 3.77Å; I48-F64 HydrophobicContact CD1-CD1 3.6Å; I48-F64 HydrophobicContact CD1-CE1 3.44Å; I48-F64 VanDerWaalsContact CD1-CE1 3.44Å; I48-G187 CarbonylContact C-O 3.39Å; I48-G187 WeakPolarHBondContact CA-O 3.16Å; I48-L188 HydrophobicContact CG2-CD2 3.96Å; I48-L188 HydrophobicContact CG2-CG 4.44Å
49	C	74.4	Confident	76.3	Confident	73 Å²	73	71 Å²	71	49%	0.493	36%	0.362	S	S	.	.			trans	-93.5	131.2	166.6	-176.2	0	0	0	0	109.6	W47 G187	W47-C49 HydrophobicContact CH2-CB 4.01Å; W47-C49 HydrophobicContact CZ3-CB 4.18Å; C49-G187 PolarHBondContact N-O 2.97Å
50	G	71.8	Confident	75.5	Confident	54 Å²	54	73.3 Å²	73.3	56%	0.557	38%	0.382	S	S	*	.	S	Bend	trans	112.2	-179.3	171.8	0	0	0	0	0	116.1
51	S	73.9	Confident	75.3	Confident	70 Å²	70	74.1 Å²	74.1	49%	0.49	41%	0.407	S	S	.	.			trans	-82	131.9	-175.8	168	0	0	0	0	112.6	S53 Y54 L55	S51-S53 VanDerWaalsContact C-N 3.33Å; S51-S53 PolarHBondContact O-N 2.78Å; S51-S53 PolarHBondContact OG-N 2.84Å; S51-Y54 WeakPolarHBondContact O-CB 3.29Å; S51-Y54 PolarHBondContact O-N 3.17Å; S51-L55 WeakPolarHBondContact O-CG 3.43Å; S51-L55 PolarHBondContact O-N 3.11Å
52	V	76.6	Confident	75.5	Confident	35 Å²	35	65.8 Å²	65.8	21%	0.212	37%	0.37	C	S	.	.	H	α-helix	trans	-56	-44.9	175.8	-176.4	0	0	0	0	111.9	P33 Y54 L55 Q56 F64	P33-V52 HydrophobicContact CB-CG2 3.33Å; P33-V52 HydrophobicContact CG-CG2 3.39Å; V52-Y54 VanDerWaalsContact C-N 3.27Å; V52-Y54 PolarHBondContact O-N 3.35Å; V52-L55 CarbonylContact O-C 3.46Å; V52-L55 PolarHBondContact O-N 3.12Å; V52-Q56 HydrophobicContact CG1-CG 3.94Å; V52-Q56 WeakPolarHBondContact O-CB 3.43Å; V52-Q56 WeakPolarHBondContact O-CG 3.3Å; V52-Q56 PolarHBondContact O-N 3.17Å; V52-F64 HydrophobicContact CG1-CD2 3.8Å; V52-F64 HydrophobicContact CG1-CE2 3.98Å; V52-F64 HydrophobicContact CG1-CG 4.14Å; V52-F64 HydrophobicContact CG1-CZ 4.45Å
53	S	75.3	Confident	75.9	Confident	80 Å²	80	64.5 Å²	64.5	56%	0.559	36%	0.364	S	S	*	.	H	α-helix	trans	-61.6	-38.6	-178.7	-51.4	0	0	0	0	111.5	S51 T57	S51-S53 VanDerWaalsContact C-N 3.33Å; S51-S53 PolarHBondContact O-N 2.78Å; S51-S53 PolarHBondContact OG-N 2.84Å; S53-T57 WeakPolarHBondContact O-CG2 3.4Å; S53-T57 PolarHBondContact O-N 3.42Å; S53-T57 PolarHBondContact O-OG1 3.26Å
54	Y	73.1	Confident	76.5	Confident	138 Å²	138	58.2 Å²	58.2	54%	0.541	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-44.8	173.3	176.4	-91.5	0	0	0	111.3	S51 V52 T57 K58	S51-Y54 WeakPolarHBondContact O-CB 3.29Å; S51-Y54 PolarHBondContact O-N 3.17Å; V52-Y54 VanDerWaalsContact C-N 3.27Å; V52-Y54 PolarHBondContact O-N 3.35Å; Y54-T57 PolarHBondContact O-N 2.93Å; Y54-T57 PolarHBondContact O-OG1 3.42Å; Y54-K58 HydrophobicContact CE1-CG 4.17Å; Y54-K58 HydrophobicContact CE2-CG 4.27Å; Y54-K58 PolarHBondContact O-N 3.06Å; Y54-K58 VanDerWaalsContact O-N 3.15Å
55	L	71.6	Confident	76.7	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-69.9	-38.6	-178.8	-66.3	173.6	0	0	0	113	I48 S51 V52 T57 K58 V59 F64 S185	I48-L55 HydrophobicContact CD1-CD1 3.77Å; S51-L55 WeakPolarHBondContact O-CG 3.43Å; S51-L55 PolarHBondContact O-N 3.11Å; V52-L55 CarbonylContact O-C 3.46Å; V52-L55 PolarHBondContact O-N 3.12Å; L55-T57 VanDerWaalsContact C-N 3.31Å; L55-T57 PolarHBondContact O-N 3.4Å; L55-K58 PolarHBondContact O-N 3.01Å; L55-V59 WeakPolarHBondContact O-CA 3.26Å; L55-V59 WeakPolarHBondContact O-CB 3.43Å; L55-V59 PolarHBondContact O-N 3.44Å; L55-F64 HydrophobicContact CB-CE1 4.43Å; L55-F64 HydrophobicContact CB-CZ 3.82Å; L55-F64 HydrophobicContact CD1-CE1 4.25Å; L55-F64 HydrophobicContact CD1-CZ 4.46Å; L55-S185 WeakPolarHBondContact CD2-O 3.22Å
56	Q	73.6	Confident	76.6	Confident	94 Å²	94	62 Å²	62	44%	0.439	36%	0.36	S	S	.	.	H	α-helix	trans	-61.3	-38.8	175.6	-77	177.5	-27.9	0	0	112	V52 F64	V52-Q56 HydrophobicContact CG1-CG 3.94Å; V52-Q56 WeakPolarHBondContact O-CB 3.43Å; V52-Q56 WeakPolarHBondContact O-CG 3.3Å; V52-Q56 PolarHBondContact O-N 3.17Å; Q56-F64 HydrophobicContact CG-CD2 4.19Å; Q56-F64 HydrophobicContact CG-CE2 3.6Å
57	T	72.8	Confident	76.5	Confident	104 Å²	104	64.4 Å²	64.4	64%	0.638	37%	0.373	S	S	*	.	H	α-helix	trans	-73.1	-35.9	178.1	56.9	0	0	0	0	112.6	S53 Y54 L55	S53-T57 WeakPolarHBondContact O-CG2 3.4Å; S53-T57 PolarHBondContact O-N 3.42Å; S53-T57 PolarHBondContact O-OG1 3.26Å; Y54-T57 PolarHBondContact O-N 2.93Å; Y54-T57 PolarHBondContact O-OG1 3.42Å; L55-T57 VanDerWaalsContact C-N 3.31Å; L55-T57 PolarHBondContact O-N 3.4Å
58	K	67.6	Low	76.4	Confident	127 Å²	127	63.9 Å²	63.9	55%	0.552	37%	0.372	S	S	*	.	H	α-helix	trans	-87.2	-23.1	-179.7	-67.4	-63.4	-175	-178.1	0	114.1	Y54 L55 K301	Y54-K58 HydrophobicContact CE1-CG 4.17Å; Y54-K58 HydrophobicContact CE2-CG 4.27Å; Y54-K58 PolarHBondContact O-N 3.06Å; Y54-K58 VanDerWaalsContact O-N 3.15Å; L55-K58 PolarHBondContact O-N 3.01Å; K58-K301 PolarHBondContact O-NZ 3.31Å; K58-K301 VanDerWaalsContact O-NZ 3.11Å
59	V	65.5	Low	76.5	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.03	38%	0.376	C	S	.	.	S	Bend	trans	-127.9	74.3	-178.1	-160	0	0	0	0	109.9	L55 G61 V62 N186 V300 K301	L55-V59 WeakPolarHBondContact O-CA 3.26Å; L55-V59 WeakPolarHBondContact O-CB 3.43Å; L55-V59 PolarHBondContact O-N 3.44Å; V59-G61 PolarHBondContact O-N 2.89Å; V59-V62 HydrophobicContact CB-CG1 4.29Å; V59-V62 HydrophobicContact CB-CG2 4.17Å; V59-V62 HydrophobicContact CG1-CG1 3.52Å; V59-V62 HydrophobicContact CG1-CG2 4.3Å; V59-V62 WeakPolarHBondContact O-CG2 3.49Å; V59-N186 HydrophobicContact CG2-CB 4.36Å; V59-V300 HydrophobicContact CG1-CG2 4.26Å; V59-K301 HydrophobicContact CG1-CD 3.96Å
60	P	65.1	Low	77	Confident	93 Å²	93	62.5 Å²	62.5	60%	0.604	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	137.8	178.2	-23	33	0	0	0	111.7
61	G	69.9	Low	77.5	Confident	73 Å²	73	60.8 Å²	60.8	75%	0.753	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	-5.8	174.3	0	0	0	0	0	116.3	V59	V59-G61 PolarHBondContact O-N 2.89Å
62	V	74.1	Confident	78.1	Confident	33 Å²	33	60.3 Å²	60.3	20%	0.2	33%	0.333	C	S	.	.			trans	-73.7	145.9	172.4	-66.4	0	0	0	0	111.9	L35 V59 F64 V300	L35-V62 HydrophobicContact CD1-CB 3.65Å; L35-V62 HydrophobicContact CD1-CG1 4Å; L35-V62 HydrophobicContact CD1-CG2 4Å; V59-V62 HydrophobicContact CB-CG1 4.29Å; V59-V62 HydrophobicContact CB-CG2 4.17Å; V59-V62 HydrophobicContact CG1-CG1 3.52Å; V59-V62 HydrophobicContact CG1-CG2 4.3Å; V59-V62 WeakPolarHBondContact O-CG2 3.49Å; V62-F64 HydrophobicContact CB-CE2 4.48Å; V62-F64 HydrophobicContact CG2-CD2 4.43Å; V62-F64 HydrophobicContact CG2-CE1 4.39Å; V62-F64 HydrophobicContact CG2-CE2 3.44Å; V62-F64 VanDerWaalsContact CG2-CE2 3.44Å; V62-F64 HydrophobicContact CG2-CZ 3.43Å; V62-F64 VanDerWaalsContact CG2-CZ 3.43Å; V62-V300 HydrophobicContact CG1-CG2 4.45Å
63	K	80.9	Confident	78.3	Confident	125 Å²	125	61.9 Å²	61.9	54%	0.543	34%	0.338	S	S	.	.			trans	-106.1	141.1	174.5	-63.3	-170.7	-176	-178.5	0	109.8	W36	W36-K63 HydrophobicContact CB-CB 4.28Å; W36-K63 HydrophobicContact CE3-CD 4.39Å; W36-K63 PolarHBondContact N-O 3.49Å
64	F	84.6	Confident	78.8	Confident	43 Å²	43	63 Å²	63	19%	0.189	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.1	174.8	-57.6	-87.1	0	0	0	109.1	Y34 L35 I48 V52 L55 Q56 V62	Y34-F64 CarbonylContact O-C 3.53Å; Y34-F64 VanDerWaalsContact O-CA 3.23Å; Y34-F64 WeakPolarHBondContact O-CA 3.5Å; L35-F64 HydrophobicContact CD1-CD1 4.11Å; L35-F64 HydrophobicContact CD1-CE1 3.69Å; L35-F64 HydrophobicContact CD1-CZ 4.12Å; I48-F64 HydrophobicContact CD1-CD1 3.6Å; I48-F64 HydrophobicContact CD1-CE1 3.44Å; I48-F64 VanDerWaalsContact CD1-CE1 3.44Å; V52-F64 HydrophobicContact CG1-CD2 3.8Å; V52-F64 HydrophobicContact CG1-CE2 3.98Å; V52-F64 HydrophobicContact CG1-CG 4.14Å; V52-F64 HydrophobicContact CG1-CZ 4.45Å; L55-F64 HydrophobicContact CB-CE1 4.43Å; L55-F64 HydrophobicContact CB-CZ 3.82Å; L55-F64 HydrophobicContact CD1-CE1 4.25Å; L55-F64 HydrophobicContact CD1-CZ 4.46Å; Q56-F64 HydrophobicContact CG-CD2 4.19Å; Q56-F64 HydrophobicContact CG-CE2 3.6Å; V62-F64 HydrophobicContact CB-CE2 4.48Å; V62-F64 HydrophobicContact CG2-CD2 4.43Å; V62-F64 HydrophobicContact CG2-CE1 4.39Å; V62-F64 HydrophobicContact CG2-CE2 3.44Å; V62-F64 VanDerWaalsContact CG2-CE2 3.44Å; V62-F64 HydrophobicContact CG2-CZ 3.43Å; V62-F64 VanDerWaalsContact CG2-CZ 3.43Å
65	E	87	Confident	79.2	Confident	65 Å²	65	58.8 Å²	58.8	30%	0.304	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.2	169	-175.1	167	-171.3	0	0	107.4	Y34 R43 L45	Y34-E65 PolarHBondContact N-O 3.49Å; Y34-E65 PolarHBondContact O-N 2.96Å; R43-E65 IonicContact CZ-OE1 3.23Å; R43-E65 IonicContact CZ-OE2 2.75Å; R43-E65 IonicContact NE-OE2 2.71Å; R43-E65 IonicContact NH2-OE1 3.81Å; R43-E65 PolarHBondContact NH2-OE1 3.19Å; R43-E65 IonicContact NH2-OE2 3.82Å; R43-E65 PolarHBondContact NH2-OE2 3.14Å; L45-E65 HydrophobicContact CD1-CB 4.4Å; L45-E65 HydrophobicContact CD1-CG 4.42Å; L45-E65 HydrophobicContact CD2-CB 3.78Å
66	N	85.2	Confident	79.8	Confident	58 Å²	58	66.4 Å²	66.4	31%	0.31	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.5	173.6	-74.2	-21.1	0	0	0	108.5	V25 C32	V25-N66 WeakPolarHBondContact CG1-ND2 3.29Å; C32-N66 WeakPolarHBondContact O-CA 3.31Å
67	D	87.6	Confident	80.3	Confident	50 Å²	50	69.9 Å²	69.9	27%	0.267	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	178.8	169.5	-152	0	0	0	0	109.4	T31 C32 Y34 C69 K74	T31-D67 CarbonylContact C-O 3.6Å; T31-D67 VanDerWaalsContact CA-O 3.32Å; T31-D67 WeakPolarHBondContact CA-O 3.39Å; C32-D67 PolarHBondContact N-O 3.22Å; C32-D67 PolarHBondContact O-N 2.94Å; Y34-D67 HydrophobicContact CD2-CB 3.68Å; Y34-D67 HydrophobicContact CE2-CB 3.79Å; Y34-D67 HydrophobicContact CG-CB 4.49Å; D67-C69 PolarHBondContact O-N 3.21Å; D67-K74 WeakPolarHBondContact OD1-CE 3.4Å; D67-K74 IonicContact OD1-NZ 3.03Å; D67-K74 PolarHBondContact OD1-NZ 3.09Å
68	C	87.5	Confident	80.8	Confident	8 Å²	8	69.2 Å²	69.2	5%	0.054	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	137	-178.1	-57.6	0	0	0	0	112.3	Y34 Y72 K74 C82	Y34-C68 VanDerWaalsContact CE2-O 3.3Å; Y34-C68 WeakPolarHBondContact CE2-O 3.3Å; Y34-C68 PolarHBondContact OH-O 3.22Å; C68-Y72 WeakPolarHBondContact CB-O 3.46Å; C68-K74 WeakPolarHBondContact SG-CG 3.44Å; C68-K74 PolarHBondContact SG-N 2.97Å; C68-C82 WeakPolarHBondContact CA-SG 3.36Å; C68-C82 HydrophobicContact CB-CB 3.82Å; C68-C82 WeakPolarHBondContact CB-SG 3.16Å; C68-C82 PolarHBondContact N-SG 2.68Å; C68-C82 VanDerWaalsContact N-SG 3.45Å; C68-C82 WeakPolarHBondContact SG-CA 3.47Å; C68-C82 WeakPolarHBondContact SG-CB 3.4Å; C68-C82 CovalentContact SG-SG 2.04Å; C68-C82 PolarHBondContact SG-SG 3.47Å
69	C	87.6	Confident	81.7	Confident	21 Å²	21	69.6 Å²	69.6	14%	0.142	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-58.5	159.5	175.2	-75	0	0	0	0	111.6	Y30 T31 C32 D67 G71 Y72	Y30-C69 VanDerWaalsContact C-SG 3.6Å; Y30-C69 WeakPolarHBondContact O-CB 3.48Å; Y30-C69 PolarHBondContact O-N 3.19Å; Y30-C69 PolarHBondContact O-SG 3.17Å; Y30-C69 VanDerWaalsContact O-SG 3.32Å; T31-C69 PolarHBondContact O-SG 3.15Å; C32-C69 VanDerWaalsContact CA-SG 3.59Å; C32-C69 HydrophobicContact CB-CB 3.93Å; C32-C69 WeakPolarHBondContact CB-SG 3.11Å; C32-C69 PolarHBondContact N-SG 2.8Å; C32-C69 WeakPolarHBondContact SG-CA 3.41Å; C32-C69 WeakPolarHBondContact SG-CB 3.49Å; C32-C69 CovalentContact SG-SG 2.04Å; C32-C69 PolarHBondContact SG-SG 2.83Å; D67-C69 PolarHBondContact O-N 3.21Å; C69-G71 PolarHBondContact O-N 3.35Å; C69-Y72 HydrophobicContact CB-CD2 3.76Å; C69-Y72 HydrophobicContact CB-CE2 4.27Å; C69-Y72 HydrophobicContact CB-CG 4.43Å; C69-Y72 WeakPolarHBondContact O-CB 3.4Å; C69-Y72 PolarHBondContact O-N 3.39Å
70	P	85.9	Confident	82.6	Confident	31 Å²	31	73.9 Å²	73.9	20%	0.201	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	126.4	172.7	-28.1	36	0	0	0	111.8	W47 Y72 P199 D200	W47-P70 VanDerWaalsContact NE1-CG 3.31Å; P70-Y72 WeakPolarHBondContact O-CD2 3.28Å; P70-P199 WeakPolarHBondContact CA-O 3.48Å; P70-P199 HydrophobicContact CB-CG 3.9Å; P70-P199 HydrophobicContact CG-CG 3.76Å; P70-D200 HydrophobicContact CB-CB 3.89Å; P70-D200 VanDerWaalsContact CB-OD2 3.28Å; P70-D200 WeakPolarHBondContact CB-OD2 3Å
71	G	82.6	Confident	83.6	Confident	18 Å²	18	74.3 Å²	74.3	19%	0.186	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	7.3	-175.2	0	0	0	0	0	116.6	C69 P199 D200	C69-G71 PolarHBondContact O-N 3.35Å; G71-P199 PolarHBondContact N-O 2.87Å; G71-D200 WeakPolarHBondContact CA-O 3.03Å
72	Y	84.9	Confident	84.4	Confident	61 Å²	61	71.2 Å²	71.2	24%	0.239	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.8	176.2	-64.7	-105.7	0	0	0	110.2	Y30 C68 C69 P70 A83 F84	Y30-Y72 VanDerWaalsContact CB-CE1 3.45Å; Y30-Y72 HydrophobicContact CD1-CD1 4.13Å; Y30-Y72 AromaticContact CD1-CE1 3.29Å; Y30-Y72 HydrophobicContact CD1-CE1 3.29Å; Y30-Y72 AromaticContact CD1-CZ 3.62Å; Y30-Y72 HydrophobicContact CD2-CD1 4.3Å; Y30-Y72 HydrophobicContact CD2-CE1 4.04Å; Y30-Y72 HydrophobicContact CE1-CE1 4.02Å; Y30-Y72 AromaticContact CG-CD1 3.67Å; Y30-Y72 HydrophobicContact CG-CD1 3.67Å; Y30-Y72 AromaticContact CG-CE1 3.3Å; Y30-Y72 HydrophobicContact CG-CE1 3.3Å; C68-Y72 WeakPolarHBondContact CB-O 3.46Å; C69-Y72 HydrophobicContact CB-CD2 3.76Å; C69-Y72 HydrophobicContact CB-CE2 4.27Å; C69-Y72 HydrophobicContact CB-CG 4.43Å; C69-Y72 WeakPolarHBondContact O-CB 3.4Å; C69-Y72 PolarHBondContact O-N 3.39Å; P70-Y72 WeakPolarHBondContact O-CD2 3.28Å; Y72-A83 VanDerWaalsContact CD1-C 3.46Å; Y72-F84 VanDerWaalsContact CD1-CA 3.42Å; Y72-F84 HydrophobicContact CD1-CB 3.91Å; Y72-F84 HydrophobicContact CD1-CD2 4.46Å; Y72-F84 VanDerWaalsContact CD1-N 3.26Å; Y72-F84 HydrophobicContact CE1-CB 3.52Å; Y72-F84 HydrophobicContact CE1-CD2 4Å; Y72-F84 HydrophobicContact CE1-CG 4.24Å; Y72-F84 HydrophobicContact CE2-CD2 4.25Å; Y72-F84 AromaticContact CZ-CD2 3.88Å
73	E	81.9	Confident	84.8	Confident	67 Å²	67	70.3 Å²	70.3	31%	0.313	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162.8	175.5	-57	-173	167	0	0	111.2	C82 A83 I85 H201	E73-C82 WeakPolarHBondContact O-CA 3.47Å; E73-A83 PolarHBondContact N-O 3.22Å; E73-A83 PolarHBondContact O-N 2.97Å; E73-I85 HydrophobicContact CB-CD1 3.58Å; E73-I85 HydrophobicContact CB-CG1 4.17Å; E73-I85 HydrophobicContact CG-CD1 3.77Å; E73-I85 HydrophobicContact CG-CG1 4.43Å; E73-I85 WeakPolarHBondContact OE2-CD1 3.35Å; E73-H201 IonicContact OE1-CE1 2.77Å; E73-H201 PolarHBondContact OE1-CE1 3.41Å; E73-H201 IonicContact OE1-ND1 3.1Å; E73-H201 PolarHBondContact OE1-ND1 3.03Å
74	K	84.8	Confident	84.4	Confident	105 Å²	105	69.5 Å²	69.5	46%	0.457	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125.7	175.9	-67	-175.4	175.1	139.7	0	109.6	D67 C68 N80 K81	D67-K74 WeakPolarHBondContact OD1-CE 3.4Å; D67-K74 IonicContact OD1-NZ 3.03Å; D67-K74 PolarHBondContact OD1-NZ 3.09Å; C68-K74 WeakPolarHBondContact SG-CG 3.44Å; C68-K74 PolarHBondContact SG-N 2.97Å; K74-N80 WeakPolarHBondContact CB-O 3.42Å; K74-N80 WeakPolarHBondContact CD-O 3.48Å; K74-N80 VanDerWaalsContact CG-O 3.3Å; K74-N80 WeakPolarHBondContact CG-O 3.32Å; K74-K81 WeakPolarHBondContact CA-O 3.47Å
75	I	81.7	Confident	83.5	Confident	48 Å²	48	70.7 Å²	70.7	25%	0.246	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.7	179.3	-56.1	-172.2	0	0	0	109.6	L77 L78 N80 K81 A83 I85	I75-L77 VanDerWaalsContact C-N 3.28Å; I75-L77 HydrophobicContact CG2-CB 3.93Å; I75-L77 HydrophobicContact CG2-CG 4.5Å; I75-L77 PolarHBondContact O-N 3.43Å; I75-L78 HydrophobicContact CB-CB 4.38Å; I75-L78 HydrophobicContact CB-CD1 4.41Å; I75-L78 HydrophobicContact CD1-CD1 4.42Å; I75-L78 CarbonylContact O-C 3.5Å; I75-L78 PolarHBondContact O-N 3.35Å; I75-N80 VanDerWaalsContact O-CA 3.28Å; I75-N80 WeakPolarHBondContact O-CA 3.32Å; I75-N80 PolarHBondContact O-N 3.18Å; I75-K81 PolarHBondContact N-O 2.98Å; I75-K81 VanDerWaalsContact N-O 3.12Å; I75-A83 HydrophobicContact CD1-CB 3.57Å; I75-A83 HydrophobicContact CG1-CB 4.03Å; I75-I85 HydrophobicContact CD1-CG1 4.35Å
76	E	84.1	Confident	82.2	Confident	166 Å²	166	72.5 Å²	72.5	78%	0.776	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-58.3	-39.9	179.2	-171.2	176.7	-173.2	0	0	112.1	L78 D79	E76-L78 PolarHBondContact O-N 3.09Å; E76-L78 VanDerWaalsContact O-N 3.12Å; E76-D79 PolarHBondContact O-N 2.86Å; E76-D79 VanDerWaalsContact O-N 3.16Å
77	L	83.9	Confident	81.2	Confident	167 Å²	167	76.8 Å²	76.8	87%	0.874	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-61.7	-17.2	175.9	-64.1	168.7	0	0	0	114.2	I75	I75-L77 VanDerWaalsContact C-N 3.28Å; I75-L77 HydrophobicContact CG2-CB 3.93Å; I75-L77 HydrophobicContact CG2-CG 4.5Å; I75-L77 PolarHBondContact O-N 3.43Å
78	L	83.4	Confident	80.2	Confident	90 Å²	90	75.3 Å²	75.3	47%	0.471	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-114.3	38.7	178.2	-66.6	173.2	0	0	0	110.8	I75 E76 N80 K81 A83	I75-L78 HydrophobicContact CB-CB 4.38Å; I75-L78 HydrophobicContact CB-CD1 4.41Å; I75-L78 HydrophobicContact CD1-CD1 4.42Å; I75-L78 CarbonylContact O-C 3.5Å; I75-L78 PolarHBondContact O-N 3.35Å; E76-L78 PolarHBondContact O-N 3.09Å; E76-L78 VanDerWaalsContact O-N 3.12Å; L78-N80 PolarHBondContact O-N 2.82Å; L78-K81 VanDerWaalsContact O-CB 3.23Å; L78-K81 WeakPolarHBondContact O-CB 3.18Å; L78-K81 VanDerWaalsContact O-CG 3.27Å; L78-K81 WeakPolarHBondContact O-CG 3.18Å; L78-K81 PolarHBondContact O-N 3.27Å; L78-A83 HydrophobicContact CD1-CB 3.66Å
79	D	86.8	Confident	79.7	Confident	134 Å²	134	85.2 Å²	85.2	72%	0.717	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	37.7	-179.5	-58.7	-42.7	0	0	0	112.9	E76 K81	E76-D79 PolarHBondContact O-N 2.86Å; E76-D79 VanDerWaalsContact O-N 3.16Å; D79-K81 PolarHBondContact O-N 2.97Å
80	N	84.5	Confident	79.8	Confident	96 Å²	96	87.8 Å²	87.8	51%	0.513	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	23.5	-175.6	-63.5	-52.8	0	0	0	115.2	K74 I75 L78	K74-N80 WeakPolarHBondContact CB-O 3.42Å; K74-N80 WeakPolarHBondContact CD-O 3.48Å; K74-N80 VanDerWaalsContact CG-O 3.3Å; K74-N80 WeakPolarHBondContact CG-O 3.32Å; I75-N80 VanDerWaalsContact O-CA 3.28Å; I75-N80 WeakPolarHBondContact O-CA 3.32Å; I75-N80 PolarHBondContact O-N 3.18Å; L78-N80 PolarHBondContact O-N 2.82Å
81	K	86.4	Confident	80.2	Confident	101 Å²	101	86.5 Å²	86.5	44%	0.439	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	152.9	171.7	-68	173	-178.7	164.1	0	111.3	K74 I75 L78 D79 A83	K74-K81 WeakPolarHBondContact CA-O 3.47Å; I75-K81 PolarHBondContact N-O 2.98Å; I75-K81 VanDerWaalsContact N-O 3.12Å; L78-K81 VanDerWaalsContact O-CB 3.23Å; L78-K81 WeakPolarHBondContact O-CB 3.18Å; L78-K81 VanDerWaalsContact O-CG 3.27Å; L78-K81 WeakPolarHBondContact O-CG 3.18Å; L78-K81 PolarHBondContact O-N 3.27Å; D79-K81 PolarHBondContact O-N 2.97Å; K81-A83 PolarHBondContact O-N 2.71Å
82	C	86.5	Confident	80.8	Confident	8 Å²	8	85.6 Å²	85.6	5%	0.054	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	122.5	172.8	-63.5	0	0	0	0	110.3	T31 C68 E73	T31-C82 HydrophobicContact CG2-CB 4.3Å; C68-C82 WeakPolarHBondContact CA-SG 3.36Å; C68-C82 HydrophobicContact CB-CB 3.82Å; C68-C82 WeakPolarHBondContact CB-SG 3.16Å; C68-C82 PolarHBondContact N-SG 2.68Å; C68-C82 VanDerWaalsContact N-SG 3.45Å; C68-C82 WeakPolarHBondContact SG-CA 3.47Å; C68-C82 WeakPolarHBondContact SG-CB 3.4Å; C68-C82 CovalentContact SG-SG 2.04Å; C68-C82 PolarHBondContact SG-SG 3.47Å; E73-C82 WeakPolarHBondContact O-CA 3.47Å
83	A	82.4	Confident	81.3	Confident	15 Å²	15	82.7 Å²	82.7	12%	0.124	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.4	174.1	0	0	0	0	0	109.5	Y72 E73 I75 L78 K81 I85	Y72-A83 VanDerWaalsContact CD1-C 3.46Å; E73-A83 PolarHBondContact N-O 3.22Å; E73-A83 PolarHBondContact O-N 2.97Å; I75-A83 HydrophobicContact CD1-CB 3.57Å; I75-A83 HydrophobicContact CG1-CB 4.03Å; L78-A83 HydrophobicContact CD1-CB 3.66Å; K81-A83 PolarHBondContact O-N 2.71Å; A83-I85 PolarHBondContact O-N 3.1Å; A83-I85 VanDerWaalsContact O-N 3.14Å
84	F	72.8	Confident	82	Confident	108 Å²	108	82 Å²	82	47%	0.474	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	115.8	173.7	-177.4	-111.1	0	0	0	106.9	Y72 D86	Y72-F84 VanDerWaalsContact CD1-CA 3.42Å; Y72-F84 HydrophobicContact CD1-CB 3.91Å; Y72-F84 HydrophobicContact CD1-CD2 4.46Å; Y72-F84 VanDerWaalsContact CD1-N 3.26Å; Y72-F84 HydrophobicContact CE1-CB 3.52Å; Y72-F84 HydrophobicContact CE1-CD2 4Å; Y72-F84 HydrophobicContact CE1-CG 4.24Å; Y72-F84 HydrophobicContact CE2-CD2 4.25Å; Y72-F84 AromaticContact CZ-CD2 3.88Å; F84-D86 HydrophobicContact CE1-CB 4.24Å; F84-D86 PolarHBondContact O-N 3.47Å
85	I	65.6	Low	82.4	Confident	68 Å²	68	77.9 Å²	77.9	35%	0.349	37%	0.373	S	S	.	.			trans	-81.5	112.4	165.5	-63.8	-165.9	0	0	0	104.8	E73 I75 A83	E73-I85 HydrophobicContact CB-CD1 3.58Å; E73-I85 HydrophobicContact CB-CG1 4.17Å; E73-I85 HydrophobicContact CG-CD1 3.77Å; E73-I85 HydrophobicContact CG-CG1 4.43Å; E73-I85 WeakPolarHBondContact OE2-CD1 3.35Å; I75-I85 HydrophobicContact CD1-CG1 4.35Å; A83-I85 PolarHBondContact O-N 3.1Å; A83-I85 VanDerWaalsContact O-N 3.14Å
86	D	59.1	Low	83	Confident	102 Å²	102	75.6 Å²	75.6	55%	0.545	36%	0.361	S	S	.	.			trans	-53.6	152.6	174	-162.4	5.9	0	0	0	109.7	F84 S88	F84-D86 HydrophobicContact CE1-CB 4.24Å; F84-D86 PolarHBondContact O-N 3.47Å; D86-S88 PolarHBondContact O-N 3.07Å
87	R	64.7	Low	83.6	Confident	149 Å²	149	72.5 Å²	72.5	56%	0.562	34%	0.342	S	S	*	.			trans	-43.7	122.3	-178	-65.3	179.3	-177.8	-178.4	0.5	108.6	W89 E202	R87-W89 PolarHBondContact O-N 3.45Å; R87-E202 HydrophobicContact CB-CB 4.45Å; R87-E202 HydrophobicContact CG-CB 4.16Å; R87-E202 HydrophobicContact CG-CG 4.4Å
88	S	66.2	Low	83.9	Confident	19 Å²	19	69.5 Å²	69.5	13%	0.133	33%	0.327	C	S	.	.			trans	-61	129.6	174.6	92	0	0	0	0	106.6	D86 Q90 Q95 E202 S204	D86-S88 PolarHBondContact O-N 3.07Å; S88-Q90 PolarHBondContact O-N 3.47Å; S88-Q90 PolarHBondContact OG-N 2.9Å; S88-Q90 PolarHBondContact OG-O 2.78Å; S88-Q95 PolarHBondContact OG-OE1 3.45Å; S88-E202 PolarHBondContact N-O 2.81Å; S88-E202 PolarHBondContact OG-O 2.9Å; S88-S204 PolarHBondContact O-N 2.95Å; S88-S204 VanDerWaalsContact O-N 3.12Å
89	W	78	Confident	84.2	Confident	216 Å²	216	67.5 Å²	67.5	82%	0.818	32%	0.315	S	S	*	.	S	Bend	trans	-75.6	8	171.3	-64.2	92.2	0	0	0	111.2	R87 N120	R87-W89 PolarHBondContact O-N 3.45Å; W89-N120 PolarHBondContact O-OD1 3.16Å
90	Q	89.6	Confident	84.5	Confident	75 Å²	75	69.5 Å²	69.5	35%	0.35	32%	0.318	S	S	.	.	S	Bend	trans	-95.4	144.4	-178.4	-68.4	173.4	-41.7	0	0	110.6	S88 D94 D98 S204	S88-Q90 PolarHBondContact O-N 3.47Å; S88-Q90 PolarHBondContact OG-N 2.9Å; S88-Q90 PolarHBondContact OG-O 2.78Å; Q90-D94 HydrophobicContact CB-CB 4.22Å; Q90-D98 PolarHBondContact NE2-OD2 3.1Å; Q90-D98 PolarHBondContact OE1-OD2 2.9Å; Q90-S204 PolarHBondContact O-N 3.42Å; Q90-S204 PolarHBondContact O-OG 3.34Å
91	P	94.1	Very high	85	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.019	29%	0.294	C	S	.	.			trans	-61.2	154.9	167.9	-20.2	32.5	0	0	0	111.6	I93 D94 Q95 L117 N120 N205	P91-I93 PolarHBondContact O-N 3.41Å; P91-I93 VanDerWaalsContact O-N 3.08Å; P91-D94 WeakPolarHBondContact CD-OD2 3.4Å; P91-D94 PolarHBondContact O-N 3.32Å; P91-Q95 PolarHBondContact O-N 3.11Å; P91-L117 WeakPolarHBondContact CB-O 3.24Å; P91-N120 VanDerWaalsContact CD-OD1 3.25Å; P91-N120 WeakPolarHBondContact CD-OD1 3.24Å; P91-N120 WeakPolarHBondContact CG-OD1 3.42Å; P91-N205 WeakPolarHBondContact CA-OD1 3.49Å
92	I	95.2	Very high	85.5	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-44.4	-45.7	176.8	-76.4	161.2	0	0	0	112.3	D94 Q95 L96 L117 V128 A203 N205 I208	I92-D94 PolarHBondContact O-N 3.35Å; I92-Q95 PolarHBondContact O-N 3.21Å; I92-L96 HydrophobicContact CG2-CD1 3.87Å; I92-L96 HydrophobicContact CG2-CG 4.39Å; I92-L96 WeakPolarHBondContact O-CB 3.14Å; I92-L96 VanDerWaalsContact O-CG 3.27Å; I92-L96 WeakPolarHBondContact O-CG 3.35Å; I92-L96 PolarHBondContact O-N 2.86Å; I92-L117 HydrophobicContact CD1-CD2 3.82Å; I92-V128 HydrophobicContact CD1-CG1 4.2Å; I92-V128 HydrophobicContact CG2-CG1 4.12Å; I92-V128 HydrophobicContact CG2-CG2 3.73Å; I92-A203 HydrophobicContact CG1-CB 3.69Å; I92-N205 WeakPolarHBondContact CG1-OD1 3.41Å; I92-N205 PolarHBondContact N-OD1 3.04Å; I92-I208 HydrophobicContact CG1-CG1 4.17Å; I92-I208 HydrophobicContact CG2-CD1 4.24Å; I92-I208 HydrophobicContact CG2-CG1 4.1Å
93	I	96.3	Very high	85.9	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.5	-40.4	-176.4	-63.3	-57.8	0	0	0	112.1	P91 L96 R97 A105 L108 L117 S118	P91-I93 PolarHBondContact O-N 3.41Å; P91-I93 VanDerWaalsContact O-N 3.08Å; I93-L96 PolarHBondContact O-N 3.17Å; I93-R97 WeakPolarHBondContact O-CG 3.33Å; I93-R97 PolarHBondContact O-N 3.39Å; I93-R97 VanDerWaalsContact O-N 3.12Å; I93-A105 HydrophobicContact CG2-CB 4.23Å; I93-L108 HydrophobicContact CD1-CB 3.4Å; I93-L108 HydrophobicContact CD1-CD1 4.25Å; I93-L108 HydrophobicContact CD1-CG 4.47Å; I93-L117 HydrophobicContact CD1-CB 4.09Å; I93-L117 HydrophobicContact CG1-CB 3.77Å; I93-L117 WeakPolarHBondContact CG1-O 3.33Å; I93-L117 PolarHBondContact N-O 2.81Å; I93-S118 WeakPolarHBondContact CG1-OG 3.33Å
94	D	95.3	Very high	86.6	Confident	51 Å²	51	68.6 Å²	68.6	27%	0.273	31%	0.312	S	S	.	.	H	α-helix	trans	-71.8	-41.4	179.6	-68.1	-31.7	0	0	0	110.8	Q90 P91 I92 L96 R97 D98	Q90-D94 HydrophobicContact CB-CB 4.22Å; P91-D94 WeakPolarHBondContact CD-OD2 3.4Å; P91-D94 PolarHBondContact O-N 3.32Å; I92-D94 PolarHBondContact O-N 3.35Å; D94-L96 VanDerWaalsContact C-N 3.32Å; D94-L96 PolarHBondContact O-N 2.67Å; D94-R97 WeakPolarHBondContact O-CB 3.28Å; D94-R97 PolarHBondContact O-N 3.36Å; D94-R97 VanDerWaalsContact O-N 3.08Å; D94-R97 IonicContact OD1-CZ 3.05Å; D94-R97 IonicContact OD1-NH1 2.84Å; D94-R97 PolarHBondContact OD1-NH1 2.71Å; D94-D98 PolarHBondContact O-N 2.99Å
95	Q	93.5	Very high	87.7	Confident	19 Å²	19	63.4 Å²	63.4	9%	0.089	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-41.1	173.7	-176.6	169.2	-9.1	0	0	112.1	S88 P91 I92 R97 D98 Q99 E202 A203 I208	S88-Q95 PolarHBondContact OG-OE1 3.45Å; P91-Q95 PolarHBondContact O-N 3.11Å; I92-Q95 PolarHBondContact O-N 3.21Å; Q95-R97 VanDerWaalsContact C-N 3.31Å; Q95-R97 PolarHBondContact O-N 3.34Å; Q95-D98 PolarHBondContact O-N 2.76Å; Q95-Q99 WeakPolarHBondContact O-CB 3.35Å; Q95-Q99 VanDerWaalsContact O-CG 3.3Å; Q95-Q99 WeakPolarHBondContact O-CG 3.43Å; Q95-Q99 PolarHBondContact O-N 3.04Å; Q95-E202 PolarHBondContact NE2-O 2.83Å; Q95-E202 PolarHBondContact OE1-O 3.07Å; Q95-E202 VanDerWaalsContact OE1-O 3.04Å; Q95-A203 VanDerWaalsContact OE1-CB 3.28Å; Q95-I208 HydrophobicContact CB-CD1 4.21Å; Q95-I208 HydrophobicContact CG-CD1 4.01Å
96	L	95.3	Very high	89.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-37.3	174.4	-74	171.9	0	0	0	112.1	I92 I93 D94 Q99 K100 S101 I104 A105 L108 V130 I208	I92-L96 HydrophobicContact CG2-CD1 3.87Å; I92-L96 HydrophobicContact CG2-CG 4.39Å; I92-L96 WeakPolarHBondContact O-CB 3.14Å; I92-L96 VanDerWaalsContact O-CG 3.27Å; I92-L96 WeakPolarHBondContact O-CG 3.35Å; I92-L96 PolarHBondContact O-N 2.86Å; I93-L96 PolarHBondContact O-N 3.17Å; D94-L96 VanDerWaalsContact C-N 3.32Å; D94-L96 PolarHBondContact O-N 2.67Å; L96-Q99 CarbonylContact O-C 3.32Å; L96-Q99 PolarHBondContact O-N 2.8Å; L96-K100 PolarHBondContact O-N 3.35Å; L96-S101 WeakPolarHBondContact O-CA 3.46Å; L96-S101 WeakPolarHBondContact O-CB 3.13Å; L96-S101 PolarHBondContact O-N 2.89Å; L96-I104 HydrophobicContact CD1-CG2 4.22Å; L96-A105 HydrophobicContact CB-CB 3.96Å; L96-L108 HydrophobicContact CD1-CD1 3.54Å; L96-V130 HydrophobicContact CD2-CG2 4.13Å; L96-I208 HydrophobicContact CD2-CD1 4.11Å; L96-I208 HydrophobicContact CD2-CG2 4.13Å; L96-I208 HydrophobicContact CG-CD1 4.04Å
97	R	95.6	Very high	90.9	Very high	102 Å²	102	60.6 Å²	60.6	39%	0.385	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-43.9	175.5	-70.8	169.1	-175.4	148.3	-0.2	111.7	I93 D94 Q95 Q99 K100 L102 A105	I93-R97 WeakPolarHBondContact O-CG 3.33Å; I93-R97 PolarHBondContact O-N 3.39Å; I93-R97 VanDerWaalsContact O-N 3.12Å; D94-R97 WeakPolarHBondContact O-CB 3.28Å; D94-R97 PolarHBondContact O-N 3.36Å; D94-R97 VanDerWaalsContact O-N 3.08Å; D94-R97 IonicContact OD1-CZ 3.05Å; D94-R97 IonicContact OD1-NH1 2.84Å; D94-R97 PolarHBondContact OD1-NH1 2.71Å; Q95-R97 VanDerWaalsContact C-N 3.31Å; Q95-R97 PolarHBondContact O-N 3.34Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 2.76Å; R97-K100 WeakPolarHBondContact O-CA 3.45Å; R97-K100 PolarHBondContact O-N 3.37Å; R97-L102 HydrophobicContact CB-CD2 4.24Å; R97-L102 HydrophobicContact CG-CD2 4.26Å; R97-A105 HydrophobicContact CG-CB 3.82Å
98	D	91.5	Very high	92.4	Very high	103 Å²	103	53.5 Å²	53.5	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-64.3	-36.3	177.7	-73.2	-1.7	0	0	0	111.1	Q90 D94 Q95 K100	Q90-D98 PolarHBondContact NE2-OD2 3.1Å; Q90-D98 PolarHBondContact OE1-OD2 2.9Å; D94-D98 PolarHBondContact O-N 2.99Å; Q95-D98 PolarHBondContact O-N 2.76Å; D98-K100 PolarHBondContact O-N 3.02Å
99	Q	89.2	Confident	93.7	Very high	49 Å²	49	54.4 Å²	54.4	23%	0.229	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	8.2	170.3	-67.4	-176.9	-14.8	0	0	113.9	Q95 L96 R97 S101 H201	Q95-Q99 WeakPolarHBondContact O-CB 3.35Å; Q95-Q99 VanDerWaalsContact O-CG 3.3Å; Q95-Q99 WeakPolarHBondContact O-CG 3.43Å; Q95-Q99 PolarHBondContact O-N 3.04Å; L96-Q99 CarbonylContact O-C 3.32Å; L96-Q99 PolarHBondContact O-N 2.8Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 2.76Å; Q99-S101 PolarHBondContact O-N 3.01Å; Q99-H201 PolarHBondContact NE2-ND1 2.91Å
100	K	92.1	Very high	94.5	Very high	175 Å²	175	49.3 Å²	49.3	76%	0.761	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	21.2	178.2	-53.5	177.6	-178.4	174.6	0	114.9	L96 R97 D98 L102	L96-K100 PolarHBondContact O-N 3.35Å; R97-K100 WeakPolarHBondContact O-CA 3.45Å; R97-K100 PolarHBondContact O-N 3.37Å; D98-K100 PolarHBondContact O-N 3.02Å; K100-L102 VanDerWaalsContact C-N 3.32Å; K100-L102 PolarHBondContact O-N 2.87Å
101	S	95	Very high	94.6	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.028	22%	0.219	C	C	.	.			trans	-90.4	60.5	172.9	-76.7	0	0	0	0	112.1	L96 Q99 A105 D134 R210	L96-S101 WeakPolarHBondContact O-CA 3.46Å; L96-S101 WeakPolarHBondContact O-CB 3.13Å; L96-S101 PolarHBondContact O-N 2.89Å; Q99-S101 PolarHBondContact O-N 3.01Å; S101-A105 VanDerWaalsContact O-CB 3.27Å; S101-A105 WeakPolarHBondContact O-CB 3.48Å; S101-A105 PolarHBondContact O-N 2.73Å; S101-D134 WeakPolarHBondContact CA-OD1 3.25Å; S101-D134 WeakPolarHBondContact CA-OD2 3.37Å; S101-D134 WeakPolarHBondContact CB-OD1 3.47Å; S101-D134 PolarHBondContact OG-OD1 3.01Å; S101-R210 PolarHBondContact OG-NH1 3.16Å; S101-R210 PolarHBondContact OG-NH2 3.06Å; S101-R210 VanDerWaalsContact OG-NH2 3.13Å
102	L	96.5	Very high	94.4	Very high	108 Å²	108	49.2 Å²	49.2	57%	0.565	24%	0.238	S	C	*	.	H	α-helix	trans	-65.3	-44.3	-170.1	-59.8	-178.8	0	0	0	114.2	R97 K100 A105 Q106 D134	R97-L102 HydrophobicContact CB-CD2 4.24Å; R97-L102 HydrophobicContact CG-CD2 4.26Å; K100-L102 VanDerWaalsContact C-N 3.32Å; K100-L102 PolarHBondContact O-N 2.87Å; L102-A105 PolarHBondContact O-N 3.01Å; L102-Q106 WeakPolarHBondContact O-CB 3.46Å; L102-Q106 PolarHBondContact O-N 2.74Å; L102-D134 PolarHBondContact N-OD2 3.46Å
103	Q	95.5	Very high	94.1	Very high	89 Å²	89	55.6 Å²	55.6	42%	0.416	27%	0.272	S	S	.	.	H	α-helix	trans	-70.1	-39.4	-178.7	-70.1	-173.2	53.7	0	0	111.3	Q106 S107 D134 I137	Q103-Q106 PolarHBondContact O-N 3Å; Q103-S107 WeakPolarHBondContact O-CB 3.3Å; Q103-S107 PolarHBondContact O-N 2.86Å; Q103-S107 PolarHBondContact O-OG 2.96Å; Q103-D134 HydrophobicContact CB-CB 4.2Å; Q103-D134 PolarHBondContact N-OD2 3.35Å; Q103-I137 HydrophobicContact CB-CD1 4.17Å
104	I	96.6	Very high	93.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-48.5	175.7	-60.9	174.2	0	0	0	109.6	L96 Q106 S107 L108 V130 P131 D134 I137	L96-I104 HydrophobicContact CD1-CG2 4.22Å; I104-Q106 VanDerWaalsContact C-N 3.33Å; I104-Q106 PolarHBondContact O-N 3.44Å; I104-S107 PolarHBondContact O-N 3.03Å; I104-L108 HydrophobicContact CG2-CD1 3.8Å; I104-L108 HydrophobicContact CG2-CG 4.46Å; I104-L108 WeakPolarHBondContact O-CB 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.37Å; I104-L108 PolarHBondContact O-N 2.86Å; I104-V130 HydrophobicContact CD1-CB 4.33Å; I104-V130 HydrophobicContact CG2-CB 4.01Å; I104-V130 HydrophobicContact CG2-CG1 3.63Å; I104-P131 HydrophobicContact CD1-CG 3.83Å; I104-D134 WeakPolarHBondContact CD1-OD1 3.33Å; I104-D134 WeakPolarHBondContact CG1-OD1 3.36Å; I104-I137 HydrophobicContact CD1-CG2 4.48Å; I104-I137 HydrophobicContact CG1-CD1 4.11Å; I104-I137 HydrophobicContact CG1-CG2 3.92Å
105	A	97	Very high	93.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-44.1	176.7	0	0	0	0	0	111.8	I93 L96 R97 S101 L102 S109	I93-A105 HydrophobicContact CG2-CB 4.23Å; L96-A105 HydrophobicContact CB-CB 3.96Å; R97-A105 HydrophobicContact CG-CB 3.82Å; S101-A105 VanDerWaalsContact O-CB 3.27Å; S101-A105 WeakPolarHBondContact O-CB 3.48Å; S101-A105 PolarHBondContact O-N 2.73Å; L102-A105 PolarHBondContact O-N 3.01Å; A105-S109 WeakPolarHBondContact O-CB 3.25Å; A105-S109 PolarHBondContact O-N 3.03Å; A105-S109 PolarHBondContact O-OG 2.75Å
106	Q	95.7	Very high	93.5	Very high	104 Å²	104	60.3 Å²	60.3	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-65.4	-39.4	178.2	-172.9	178.3	17.6	0	0	112.6	L102 Q103 I104 S109 K110	L102-Q106 WeakPolarHBondContact O-CB 3.46Å; L102-Q106 PolarHBondContact O-N 2.74Å; Q103-Q106 PolarHBondContact O-N 3Å; I104-Q106 VanDerWaalsContact C-N 3.33Å; I104-Q106 PolarHBondContact O-N 3.44Å; Q106-S109 PolarHBondContact O-OG 3.2Å; Q106-K110 WeakPolarHBondContact O-CG 3.44Å; Q106-K110 PolarHBondContact O-N 3.28Å
107	S	95.3	Very high	93.4	Very high	7 Å²	7	60.3 Å²	60.3	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-67.8	-47.3	179.1	-58.4	0	0	0	0	110.9	Q103 I104 S109 K110 G111 Y144	Q103-S107 WeakPolarHBondContact O-CB 3.3Å; Q103-S107 PolarHBondContact O-N 2.86Å; Q103-S107 PolarHBondContact O-OG 2.96Å; I104-S107 PolarHBondContact O-N 3.03Å; S107-S109 VanDerWaalsContact C-N 3.34Å; S107-S109 PolarHBondContact O-N 2.76Å; S107-K110 PolarHBondContact O-N 2.93Å; S107-G111 PolarHBondContact O-N 2.87Å; S107-Y144 WeakPolarHBondContact CB-O 3.25Å
108	L	96.4	Very high	93.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-39.6	176.1	-73.9	166.3	0	0	0	112.3	I93 L96 I104 K110 G111 L117 V130 V151 V155	I93-L108 HydrophobicContact CD1-CB 3.4Å; I93-L108 HydrophobicContact CD1-CD1 4.25Å; I93-L108 HydrophobicContact CD1-CG 4.47Å; L96-L108 HydrophobicContact CD1-CD1 3.54Å; I104-L108 HydrophobicContact CG2-CD1 3.8Å; I104-L108 HydrophobicContact CG2-CG 4.46Å; I104-L108 WeakPolarHBondContact O-CB 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.37Å; I104-L108 PolarHBondContact O-N 2.86Å; L108-K110 PolarHBondContact O-N 3.42Å; L108-G111 PolarHBondContact O-N 2.89Å; L108-G111 VanDerWaalsContact O-N 3.08Å; L108-L117 HydrophobicContact CB-CD1 4.12Å; L108-L117 HydrophobicContact CD2-CD1 4.03Å; L108-V130 HydrophobicContact CD1-CG1 4.19Å; L108-V151 HydrophobicContact CD2-CG1 3.72Å; L108-V151 HydrophobicContact CG-CG1 4.42Å; L108-V155 HydrophobicContact CD2-CG2 3.45Å; L108-V155 VanDerWaalsContact CD2-CG2 3.45Å
109	S	94.8	Very high	93.2	Very high	38 Å²	38	55 Å²	55	27%	0.266	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-24.1	179.2	70.4	0	0	0	0	113.8	A105 Q106 S107	A105-S109 WeakPolarHBondContact O-CB 3.25Å; A105-S109 PolarHBondContact O-N 3.03Å; A105-S109 PolarHBondContact O-OG 2.75Å; Q106-S109 PolarHBondContact O-OG 3.2Å; S107-S109 VanDerWaalsContact C-N 3.34Å; S107-S109 PolarHBondContact O-N 2.76Å
110	K	93.2	Very high	92.8	Very high	108 Å²	108	57.5 Å²	57.5	47%	0.47	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.5	176.5	-67.9	175.3	-176.5	174.6	0	112.6	Q106 S107 L108 T148	Q106-K110 WeakPolarHBondContact O-CG 3.44Å; Q106-K110 PolarHBondContact O-N 3.28Å; S107-K110 PolarHBondContact O-N 2.93Å; L108-K110 PolarHBondContact O-N 3.42Å; K110-T148 HydrophobicContact CB-CG2 4.09Å; K110-T148 WeakPolarHBondContact O-CB 3.46Å; K110-T148 WeakPolarHBondContact O-CG2 3.44Å
111	G	91.6	Very high	92	Very high	2 Å²	2	51 Å²	51	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	-62.2	141.6	-176	0	0	0	0	0	112.7	S107 L108 N113 L114 T148	S107-G111 PolarHBondContact O-N 2.87Å; L108-G111 PolarHBondContact O-N 2.89Å; L108-G111 VanDerWaalsContact O-N 3.08Å; G111-N113 PolarHBondContact O-N 2.78Å; G111-L114 PolarHBondContact O-N 2.92Å; G111-T148 VanDerWaalsContact CA-O 3.31Å; G111-T148 WeakPolarHBondContact CA-O 3.29Å
112	N	90	Very high	90.9	Very high	75 Å²	75	55.8 Å²	55.8	40%	0.401	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	124.6	178.6	-71.1	-6.2	0	0	0	110.7	L114 T148 D149	N112-L114 PolarHBondContact O-N 2.82Å; N112-T148 PolarHBondContact N-O 2.82Å; N112-T148 VanDerWaalsContact N-O 3.09Å; N112-T148 PolarHBondContact OD1-OG1 2.78Å; N112-D149 WeakPolarHBondContact ND2-CB 3.35Å; N112-D149 PolarHBondContact ND2-OD1 2.82Å
113	N	88.9	Confident	90.1	Very high	134 Å²	134	59 Å²	59	72%	0.717	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	24.8	180	-52.7	-44.1	0	0	0	114.8	G111 Q115	G111-N113 PolarHBondContact O-N 2.78Å; N113-Q115 VanDerWaalsContact C-OE1 3.31Å; N113-Q115 VanDerWaalsContact CA-OE1 3.29Å
114	L	91.8	Very high	89.6	Confident	4 Å²	4	58 Å²	58	2%	0.021	31%	0.307	C	S	.	.			trans	-113.6	19.5	-179.9	-64.7	179.9	0	0	0	113	G111 N112 D116 L117 Y126 V151 V155 T174	G111-L114 PolarHBondContact O-N 2.92Å; N112-L114 PolarHBondContact O-N 2.82Å; L114-D116 PolarHBondContact O-N 2.97Å; L114-L117 HydrophobicContact CB-CD1 3.84Å; L114-L117 HydrophobicContact CB-CG 4.18Å; L114-L117 HydrophobicContact CD1-CD1 4.21Å; L114-L117 HydrophobicContact CD2-CD1 4.46Å; L114-L117 HydrophobicContact CG-CD1 4.4Å; L114-L117 VanDerWaalsContact O-CB 3.29Å; L114-L117 WeakPolarHBondContact O-CB 3.47Å; L114-L117 WeakPolarHBondContact O-CG 3.43Å; L114-L117 PolarHBondContact O-N 2.78Å; L114-Y126 HydrophobicContact CD2-CE1 4.17Å; L114-V151 HydrophobicContact CD1-CG1 3.9Å; L114-V155 HydrophobicContact CD1-CB 4.33Å; L114-V155 HydrophobicContact CD1-CG2 3.85Å; L114-V155 HydrophobicContact CD2-CB 4.44Å; L114-V155 HydrophobicContact CD2-CG1 3.95Å; L114-T174 HydrophobicContact CD2-CG2 4.18Å
115	Q	89.4	Confident	89.5	Confident	120 Å²	120	60 Å²	60	56%	0.561	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-60.7	-30.1	-177.9	-60.8	83.2	-0.3	0	0	112.3	N113 L117 S118	N113-Q115 VanDerWaalsContact C-OE1 3.31Å; N113-Q115 VanDerWaalsContact CA-OE1 3.29Å; Q115-L117 PolarHBondContact O-N 2.84Å; Q115-L117 VanDerWaalsContact O-N 3.16Å; Q115-S118 PolarHBondContact O-N 2.93Å; Q115-S118 VanDerWaalsContact O-N 3.09Å
116	D	91.8	Very high	89.4	Confident	44 Å²	44	60.8 Å²	60.8	24%	0.235	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-62.2	-19.6	176.8	-71	-29.4	0	0	0	113.2	L114 S118 S119 N124 Y126 N205	L114-D116 PolarHBondContact O-N 2.97Å; D116-S118 PolarHBondContact O-N 2.93Å; D116-S119 WeakPolarHBondContact O-CB 3.46Å; D116-S119 PolarHBondContact O-N 2.87Å; D116-N124 HydrophobicContact CB-CB 4.44Å; D116-N124 PolarHBondContact OD2-ND2 2.81Å; D116-Y126 HydrophobicContact CB-CE2 3.78Å; D116-N205 PolarHBondContact O-ND2 2.81Å
117	L	93.5	Very high	89.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-61.7	-26	174	-65.2	-179.5	0	0	0	112.6	P91 I92 I93 L108 L114 Q115 Y126 V128 V155 N205	P91-L117 WeakPolarHBondContact CB-O 3.24Å; I92-L117 HydrophobicContact CD1-CD2 3.82Å; I93-L117 HydrophobicContact CD1-CB 4.09Å; I93-L117 HydrophobicContact CG1-CB 3.77Å; I93-L117 WeakPolarHBondContact CG1-O 3.33Å; I93-L117 PolarHBondContact N-O 2.81Å; L108-L117 HydrophobicContact CB-CD1 4.12Å; L108-L117 HydrophobicContact CD2-CD1 4.03Å; L114-L117 HydrophobicContact CB-CD1 3.84Å; L114-L117 HydrophobicContact CB-CG 4.18Å; L114-L117 HydrophobicContact CD1-CD1 4.21Å; L114-L117 HydrophobicContact CD2-CD1 4.46Å; L114-L117 HydrophobicContact CG-CD1 4.4Å; L114-L117 VanDerWaalsContact O-CB 3.29Å; L114-L117 WeakPolarHBondContact O-CB 3.47Å; L114-L117 WeakPolarHBondContact O-CG 3.43Å; L114-L117 PolarHBondContact O-N 2.78Å; Q115-L117 PolarHBondContact O-N 2.84Å; Q115-L117 VanDerWaalsContact O-N 3.16Å; L117-Y126 HydrophobicContact CD2-CD1 4.36Å; L117-Y126 HydrophobicContact CD2-CD2 3.56Å; L117-Y126 HydrophobicContact CD2-CE2 4.27Å; L117-Y126 HydrophobicContact CD2-CG 3.6Å; L117-Y126 HydrophobicContact CG-CD2 4.49Å; L117-V128 HydrophobicContact CD2-CG1 4.25Å; L117-V155 HydrophobicContact CD1-CG2 4.36Å; L117-V155 HydrophobicContact CD2-CG1 4.49Å; L117-N205 VanDerWaalsContact CA-ND2 3.33Å; L117-N205 WeakPolarHBondContact CA-ND2 3.32Å; L117-N205 PolarHBondContact O-ND2 3.47Å
118	S	93.1	Very high	89.6	Confident	49 Å²	49	55.5 Å²	55.5	34%	0.343	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-94.7	-3	174.6	-54.8	0	0	0	0	113.1	I93 Q115 D116	I93-S118 WeakPolarHBondContact CG1-OG 3.33Å; Q115-S118 PolarHBondContact O-N 2.93Å; Q115-S118 VanDerWaalsContact O-N 3.09Å; D116-S118 PolarHBondContact O-N 2.93Å
119	S	88.9	Confident	89.7	Confident	44 Å²	44	55.5 Å²	55.5	31%	0.308	30%	0.297	S	S	.	.	S	Bend	trans	-99.3	144.1	-175.7	-175.3	0	0	0	0	110.9	D116 S121 N205	D116-S119 WeakPolarHBondContact O-CB 3.46Å; D116-S119 PolarHBondContact O-N 2.87Å; S119-S121 PolarHBondContact O-N 2.83Å; S119-S121 WeakPolarHBondContact OG-CB 3.37Å; S119-S121 PolarHBondContact OG-N 2.59Å; S119-S121 VanDerWaalsContact OG-N 3.1Å; S119-N205 PolarHBondContact O-ND2 2.83Å
120	N	82.3	Confident	89.8	Confident	102 Å²	102	53.7 Å²	53.7	55%	0.545	29%	0.285	S	S	.	.			trans	-74.2	2.4	167	-79.4	-43.1	0	0	0	113.1	W89 P91 T122 S204	W89-N120 PolarHBondContact O-OD1 3.16Å; P91-N120 VanDerWaalsContact CD-OD1 3.25Å; P91-N120 WeakPolarHBondContact CD-OD1 3.24Å; P91-N120 WeakPolarHBondContact CG-OD1 3.42Å; N120-T122 PolarHBondContact O-N 2.77Å; N120-S204 PolarHBondContact OD1-OG 2.99Å
121	S	75.4	Confident	89.9	Confident	40 Å²	40	48.5 Å²	48.5	28%	0.28	26%	0.262	S	S	.	.			trans	-62.4	120.8	174.9	179.1	0	0	0	0	110.8	S119 K123	S119-S121 PolarHBondContact O-N 2.83Å; S119-S121 WeakPolarHBondContact OG-CB 3.37Å; S119-S121 PolarHBondContact OG-N 2.59Å; S119-S121 VanDerWaalsContact OG-N 3.1Å; S121-K123 PolarHBondContact O-N 3.24Å; S121-K123 WeakPolarHBondContact OG-CB 3.41Å; S121-K123 PolarHBondContact OG-N 3.36Å
122	T	70.5	Confident	89.9	Confident	103 Å²	103	52.9 Å²	52.9	63%	0.632	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	5.3	172.4	55.2	0	0	0	0	112.9	N120 N124	N120-T122 PolarHBondContact O-N 2.77Å; T122-N124 VanDerWaalsContact C-N 3.29Å; T122-N124 PolarHBondContact O-N 2.78Å
123	K	79.9	Confident	90.1	Very high	177 Å²	177	53.3 Å²	53.3	77%	0.77	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-40.4	-178.8	-172.5	-179.5	178.9	-176.1	0	111.7	S121	S121-K123 PolarHBondContact O-N 3.24Å; S121-K123 WeakPolarHBondContact OG-CB 3.41Å; S121-K123 PolarHBondContact OG-N 3.36Å
124	N	86.1	Confident	90.2	Very high	66 Å²	66	48.1 Å²	48.1	35%	0.353	25%	0.254	S	S	.	.	S	Bend	trans	-122.1	121.9	175.8	-67.3	-38.8	0	0	0	108.3	D116 T122 Y126	D116-N124 HydrophobicContact CB-CB 4.44Å; D116-N124 PolarHBondContact OD2-ND2 2.81Å; T122-N124 VanDerWaalsContact C-N 3.29Å; T122-N124 PolarHBondContact O-N 2.78Å; N124-Y126 HydrophobicContact CB-CE2 3.61Å; N124-Y126 WeakPolarHBondContact CB-OH 3.32Å
125	V	93.2	Very high	90.2	Very high	44 Å²	44	52.9 Å²	52.9	27%	0.267	28%	0.279	S	S	.	.			trans	-108.1	140.1	180	-174.3	0	0	0	0	108.7	G158 R159 N205	V125-G158 PolarHBondContact O-N 2.87Å; V125-R159 HydrophobicContact CG1-CG 3.5Å; V125-N205 WeakPolarHBondContact CA-O 3.48Å
126	Y	95.8	Very high	90.4	Very high	15 Å²	15	50 Å²	50	6%	0.059	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.1	-175.3	-59.2	-86.1	0	0	0	112.7	L114 D116 L117 N124 V155 S156 G158 N205 G206 L207	L114-Y126 HydrophobicContact CD2-CE1 4.17Å; D116-Y126 HydrophobicContact CB-CE2 3.78Å; L117-Y126 HydrophobicContact CD2-CD1 4.36Å; L117-Y126 HydrophobicContact CD2-CD2 3.56Å; L117-Y126 HydrophobicContact CD2-CE2 4.27Å; L117-Y126 HydrophobicContact CD2-CG 3.6Å; L117-Y126 HydrophobicContact CG-CD2 4.49Å; N124-Y126 HydrophobicContact CB-CE2 3.61Å; N124-Y126 WeakPolarHBondContact CB-OH 3.32Å; Y126-V155 HydrophobicContact CD1-CG1 3.72Å; Y126-V155 HydrophobicContact CG-CG1 4.25Å; Y126-S156 CarbonylContact C-O 3.5Å; Y126-S156 VanDerWaalsContact CA-O 3.28Å; Y126-S156 WeakPolarHBondContact CA-O 3.39Å; Y126-G158 CarbonylContact C-O 3.42Å; Y126-N205 PolarHBondContact N-O 3.05Å; Y126-N205 VanDerWaalsContact N-O 3.08Å; Y126-G206 CarbonylContact O-C 3.55Å; Y126-G206 WeakPolarHBondContact O-CA 3.34Å; Y126-L207 PolarHBondContact O-N 3.34Å
127	T	97.3	Very high	90.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.9	161.1	-59.6	0	0	0	0	108	F129 S156 G158 R159 W160 L207 H209	T127-F129 HydrophobicContact CG2-CD2 4.44Å; T127-F129 HydrophobicContact CG2-CE1 4.02Å; T127-F129 HydrophobicContact CG2-CE2 3.83Å; T127-F129 HydrophobicContact CG2-CZ 3.6Å; T127-S156 PolarHBondContact N-O 3.47Å; T127-S156 PolarHBondContact O-N 2.84Å; T127-G158 PolarHBondContact N-O 3.39Å; T127-G158 VanDerWaalsContact N-O 3.08Å; T127-G158 PolarHBondContact OG1-O 3.13Å; T127-R159 WeakPolarHBondContact OG1-CA 3.24Å; T127-W160 HydrophobicContact CG2-CB 4.23Å; T127-W160 PolarHBondContact OG1-N 2.81Å; T127-L207 CarbonylContact C-O 3.41Å; T127-L207 VanDerWaalsContact CA-O 3.29Å; T127-L207 WeakPolarHBondContact CA-O 3.39Å; T127-L207 HydrophobicContact CG2-CB 4.22Å; T127-L207 HydrophobicContact CG2-CD2 4.35Å; T127-H209 VanDerWaalsContact CG2-CD2 3.44Å; T127-H209 WeakPolarHBondContact CG2-CD2 3.38Å
128	V	97.6	Very high	90.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.6	175	-58.2	0	0	0	0	110.7	I92 L117 V130 M154 V155 L207 I208 H209	I92-V128 HydrophobicContact CD1-CG1 4.2Å; I92-V128 HydrophobicContact CG2-CG1 4.12Å; I92-V128 HydrophobicContact CG2-CG2 3.73Å; L117-V128 HydrophobicContact CD2-CG1 4.25Å; V128-V130 HydrophobicContact CB-CG1 4.17Å; V128-V130 HydrophobicContact CG2-CG1 4.03Å; V128-M154 CarbonylContact C-O 3.57Å; V128-M154 VanDerWaalsContact CA-O 3.32Å; V128-M154 WeakPolarHBondContact CA-O 2.96Å; V128-V155 HydrophobicContact CG1-CG1 4.22Å; V128-V155 HydrophobicContact CG1-CG2 4.04Å; V128-L207 PolarHBondContact N-O 2.87Å; V128-I208 HydrophobicContact CG2-CB 4.01Å; V128-I208 HydrophobicContact CG2-CG1 3.59Å; V128-I208 HydrophobicContact CG2-CG2 4.05Å; V128-H209 PolarHBondContact O-N 3.48Å
129	F	98	Very high	90.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	93.5	178.8	-59.1	-81.8	0	0	0	108.4	T127 M154 W160 F165 I171 I179 L191 H209 I211 L215	T127-F129 HydrophobicContact CG2-CD2 4.44Å; T127-F129 HydrophobicContact CG2-CE1 4.02Å; T127-F129 HydrophobicContact CG2-CE2 3.83Å; T127-F129 HydrophobicContact CG2-CZ 3.6Å; F129-M154 PolarHBondContact N-O 3.42Å; F129-M154 WeakPolarHBondContact O-CB 3.22Å; F129-W160 HydrophobicContact CZ-CB 4.47Å; F129-F165 AromaticContact CE1-CZ 3.97Å; F129-F165 HydrophobicContact CE1-CZ 3.97Å; F129-F165 HydrophobicContact CZ-CZ 4.43Å; F129-I171 HydrophobicContact CE2-CG2 4.12Å; F129-I171 HydrophobicContact CZ-CD1 3.97Å; F129-I171 HydrophobicContact CZ-CG2 4.21Å; F129-I179 HydrophobicContact CD2-CD1 3.34Å; F129-I179 HydrophobicContact CE2-CD1 3.55Å; F129-I179 HydrophobicContact CG-CD1 4.05Å; F129-I179 HydrophobicContact CZ-CD1 4.4Å; F129-L191 HydrophobicContact CD1-CD1 3.27Å; F129-L191 HydrophobicContact CE1-CD1 3.5Å; F129-L191 HydrophobicContact CG-CD1 4.24Å; F129-H209 HydrophobicContact CD1-CB 3.72Å; F129-H209 AromaticContact CD1-CD2 3.87Å; F129-H209 HydrophobicContact CE1-CB 4.17Å; F129-H209 AromaticContact CE1-CD2 3.44Å; F129-H209 VanDerWaalsContact CE1-CD2 3.44Å; F129-H209 WeakPolarHBondContact CE1-CD2 3.43Å; F129-I211 HydrophobicContact CB-CD1 4.43Å; F129-L215 HydrophobicContact CB-CD1 3.71Å; F129-L215 HydrophobicContact CG-CD1 4.41Å
130	V	97.3	Very high	90.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.9	-170.4	-61.2	0	0	0	0	110.8	L96 I104 L108 V128 I208 H209 R210 I211	L96-V130 HydrophobicContact CD2-CG2 4.13Å; I104-V130 HydrophobicContact CD1-CB 4.33Å; I104-V130 HydrophobicContact CG2-CB 4.01Å; I104-V130 HydrophobicContact CG2-CG1 3.63Å; L108-V130 HydrophobicContact CD1-CG1 4.19Å; V128-V130 HydrophobicContact CB-CG1 4.17Å; V128-V130 HydrophobicContact CG2-CG1 4.03Å; V130-I208 HydrophobicContact CG2-CG2 3.76Å; V130-H209 PolarHBondContact N-O 2.73Å; V130-R210 HydrophobicContact CG2-CG 4.11Å; V130-R210 VanDerWaalsContact O-CA 3.3Å; V130-R210 WeakPolarHBondContact O-CA 3.42Å; V130-I211 WeakPolarHBondContact O-CG1 3.4Å; V130-I211 PolarHBondContact O-N 2.85Å
131	P	96.2	Very high	90.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	155.8	170.5	24.2	-30.9	0	0	0	111.3	I104 Q133 D136 I137 I211 A214	I104-P131 HydrophobicContact CD1-CG 3.83Å; P131-Q133 VanDerWaalsContact C-N 3.29Å; P131-Q133 WeakPolarHBondContact CG-O 3.4Å; P131-Q133 PolarHBondContact O-N 3.18Å; P131-D136 HydrophobicContact CB-CB 3.59Å; P131-D136 HydrophobicContact CG-CB 3.93Å; P131-I137 HydrophobicContact CG-CG2 3.53Å; P131-I211 WeakPolarHBondContact CA-O 3.39Å; P131-A214 HydrophobicContact CG-CB 4.26Å
132	Q	91.9	Very high	91.6	Very high	93 Å²	93	57.1 Å²	57.1	44%	0.435	29%	0.291	S	S	.	.	S	Bend	trans	-65.1	-35	173.3	-171	177.8	7.5	0	0	112.2	L197 R210 I211	Q132-L197 HydrophobicContact CB-CD1 4.16Å; Q132-L197 VanDerWaalsContact OE1-CD1 3.3Å; Q132-R210 PolarHBondContact O-NH1 3.1Å; Q132-I211 PolarHBondContact N-O 3.31Å
133	Q	92.4	Very high	92.7	Very high	84 Å²	84	55.3 Å²	55.3	39%	0.393	28%	0.277	S	S	.	.	S	Bend	trans	-107.3	140.6	-178.9	-51.1	-62.7	-41.2	0	0	111	P131 D135 D136	P131-Q133 VanDerWaalsContact C-N 3.29Å; P131-Q133 WeakPolarHBondContact CG-O 3.4Å; P131-Q133 PolarHBondContact O-N 3.18Å; Q133-D135 VanDerWaalsContact C-N 3.33Å; Q133-D135 VanDerWaalsContact CB-OD1 3.25Å; Q133-D135 WeakPolarHBondContact CB-OD1 3.38Å; Q133-D135 PolarHBondContact O-N 2.95Å; Q133-D136 WeakPolarHBondContact O-CB 3.43Å; Q133-D136 PolarHBondContact O-N 3.3Å
134	D	92.8	Very high	93.4	Very high	26 Å²	26	46.9 Å²	46.9	14%	0.139	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-68.1	-30.1	-175.5	-96.2	24.3	0	0	0	114.1	S101 L102 Q103 I104 D136 I137	S101-D134 WeakPolarHBondContact CA-OD1 3.25Å; S101-D134 WeakPolarHBondContact CA-OD2 3.37Å; S101-D134 WeakPolarHBondContact CB-OD1 3.47Å; S101-D134 PolarHBondContact OG-OD1 3.01Å; L102-D134 PolarHBondContact N-OD2 3.46Å; Q103-D134 HydrophobicContact CB-CB 4.2Å; Q103-D134 PolarHBondContact N-OD2 3.35Å; I104-D134 WeakPolarHBondContact CD1-OD1 3.33Å; I104-D134 WeakPolarHBondContact CG1-OD1 3.36Å; D134-D136 VanDerWaalsContact C-N 3.3Å; D134-I137 WeakPolarHBondContact O-CG1 3.22Å
135	D	91.7	Very high	93.7	Very high	103 Å²	103	46.5 Å²	46.5	55%	0.551	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-76.8	-15	-179.7	57.3	-29.2	0	0	0	113.3	Q133 I137 V138	Q133-D135 VanDerWaalsContact C-N 3.33Å; Q133-D135 VanDerWaalsContact CB-OD1 3.25Å; Q133-D135 WeakPolarHBondContact CB-OD1 3.38Å; Q133-D135 PolarHBondContact O-N 2.95Å; D135-I137 PolarHBondContact O-N 2.97Å; D135-V138 PolarHBondContact O-N 2.71Å
136	D	93.2	Very high	93.5	Very high	59 Å²	59	48.3 Å²	48.3	32%	0.316	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-67.5	-15.6	179.5	-74.3	-31.7	0	0	0	113.4	P131 Q133 D134 V138 A214	P131-D136 HydrophobicContact CB-CB 3.59Å; P131-D136 HydrophobicContact CG-CB 3.93Å; Q133-D136 WeakPolarHBondContact O-CB 3.43Å; Q133-D136 PolarHBondContact O-N 3.3Å; D134-D136 VanDerWaalsContact C-N 3.3Å; D136-V138 PolarHBondContact O-N 3.09Å; D136-A214 WeakPolarHBondContact O-CB 3.35Å
137	I	94.8	Very high	93.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-80.3	-0.8	177.8	72.7	-177.8	0	0	0	113.5	Q103 I104 P131 D134 D135 I142 Y144 V145 M154	Q103-I137 HydrophobicContact CB-CD1 4.17Å; I104-I137 HydrophobicContact CD1-CG2 4.48Å; I104-I137 HydrophobicContact CG1-CD1 4.11Å; I104-I137 HydrophobicContact CG1-CG2 3.92Å; P131-I137 HydrophobicContact CG-CG2 3.53Å; D134-I137 WeakPolarHBondContact O-CG1 3.22Å; D135-I137 PolarHBondContact O-N 2.97Å; I137-I142 WeakPolarHBondContact O-CG2 3.12Å; I137-Y144 HydrophobicContact CB-CD2 4.3Å; I137-Y144 PolarHBondContact O-N 3.34Å; I137-Y144 VanDerWaalsContact O-N 3.08Å; I137-V145 HydrophobicContact CD1-CG2 3.72Å; I137-V145 HydrophobicContact CG1-CG2 3.87Å; I137-M154 HydrophobicContact CG2-CE 4.45Å; I137-M154 HydrophobicContact CG2-SD 4.3Å
138	V	94	Very high	92.8	Very high	69 Å²	69	53 Å²	53	42%	0.418	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-130.8	122.1	173.8	-174.2	0	0	0	0	109.9	D135 D136 I142 V145	D135-V138 PolarHBondContact O-N 2.71Å; D136-V138 PolarHBondContact O-N 3.09Å; V138-I142 CarbonylContact C-O 3.44Å; V138-I142 WeakPolarHBondContact CA-O 3.22Å; V138-V145 HydrophobicContact CG2-CB 4Å; V138-V145 HydrophobicContact CG2-CG2 3.34Å
139	S	91.6	Very high	92.6	Very high	65 Å²	65	56.1 Å²	56.1	46%	0.455	30%	0.299	S	S	.	.	S	Bend	trans	-152	-176.7	173.9	71.4	0	0	0	0	109.8	E141 I142	S139-E141 PolarHBondContact O-N 3.27Å; S139-E141 VanDerWaalsContact O-N 3.16Å; S139-E141 PolarHBondContact OG-N 2.98Å; S139-I142 CarbonylContact C-O 3.49Å; S139-I142 PolarHBondContact N-O 3.4Å; S139-I142 PolarHBondContact O-N 3Å; S139-I142 WeakPolarHBondContact OG-CB 3.46Å; S139-I142 PolarHBondContact OG-N 2.98Å
140	K	88.3	Confident	92.4	Very high	224 Å²	224	56.1 Å²	56.1	97%	0.974	30%	0.299	S	S	*	.	S	Bend	trans	-58	-29.4	174.8	-172.7	178.3	177.9	-176.8	0	113.1
141	E	89.2	Confident	92.3	Very high	56 Å²	56	56.1 Å²	56.1	26%	0.262	30%	0.299	S	S	.	.	S	Bend	trans	-102.6	-25.8	-176.2	-167.9	173.9	158.3	0	0	113.2	S139 P217 K220 R227	S139-E141 PolarHBondContact O-N 3.27Å; S139-E141 VanDerWaalsContact O-N 3.16Å; S139-E141 PolarHBondContact OG-N 2.98Å; E141-P217 HydrophobicContact CG-CG 3.88Å; E141-K220 PolarHBondContact O-NZ 3.37Å; E141-R227 IonicContact OE1-CZ 3.52Å; E141-R227 IonicContact OE1-NH1 3.58Å; E141-R227 PolarHBondContact OE1-NH1 3.12Å; E141-R227 IonicContact OE1-NH2 3.92Å; E141-R227 IonicContact OE2-CZ 2.79Å; E141-R227 IonicContact OE2-NH1 3.54Å; E141-R227 IonicContact OE2-NH2 3.6Å; E141-R227 PolarHBondContact OE2-NH2 2.99Å; E141-R227 VanDerWaalsContact OE2-NH2 3.1Å
142	I	92.5	Very high	92.3	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.082	30%	0.301	C	S	.	.			trans	-116.4	128.9	-171.8	-59.9	176.6	0	0	0	108.9	I137 V138 S139 Y144 A214 P217	I137-I142 WeakPolarHBondContact O-CG2 3.12Å; V138-I142 CarbonylContact C-O 3.44Å; V138-I142 WeakPolarHBondContact CA-O 3.22Å; S139-I142 CarbonylContact C-O 3.49Å; S139-I142 PolarHBondContact N-O 3.4Å; S139-I142 PolarHBondContact O-N 3Å; S139-I142 WeakPolarHBondContact OG-CB 3.46Å; S139-I142 PolarHBondContact OG-N 2.98Å; I142-Y144 HydrophobicContact CG2-CD1 3.95Å; I142-Y144 HydrophobicContact CG2-CD2 3.4Å; I142-Y144 HydrophobicContact CG2-CE1 3.85Å; I142-Y144 HydrophobicContact CG2-CE2 3.3Å; I142-Y144 HydrophobicContact CG2-CG 3.73Å; I142-A214 HydrophobicContact CD1-CB 3.91Å; I142-P217 HydrophobicContact CG1-CG 4.45Å
143	D	93.6	Very high	92.5	Very high	64 Å²	64	51.9 Å²	51.9	34%	0.342	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-141.7	80.2	168.7	-175.4	-2	0	0	0	109	V145 S146 D147	D143-V145 PolarHBondContact OD1-N 3.12Å; D143-S146 PolarHBondContact OD1-N 2.84Å; D143-S146 PolarHBondContact OD1-OG 3Å; D143-S146 WeakPolarHBondContact OD2-CB 3.48Å; D143-S146 PolarHBondContact OD2-OG 3.04Å; D143-D147 WeakPolarHBondContact O-CB 3.25Å; D143-D147 PolarHBondContact O-N 3.23Å
144	Y	93.8	Very high	92.6	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	2.3	178.1	-57.9	-33.6	0	0	0	112.5	S107 I137 I142 A150 V151 M154 A214 L215	S107-Y144 WeakPolarHBondContact CB-O 3.25Å; I137-Y144 HydrophobicContact CB-CD2 4.3Å; I137-Y144 PolarHBondContact O-N 3.34Å; I137-Y144 VanDerWaalsContact O-N 3.08Å; I142-Y144 HydrophobicContact CG2-CD1 3.95Å; I142-Y144 HydrophobicContact CG2-CD2 3.4Å; I142-Y144 HydrophobicContact CG2-CE1 3.85Å; I142-Y144 HydrophobicContact CG2-CE2 3.3Å; I142-Y144 HydrophobicContact CG2-CG 3.73Å; Y144-A150 HydrophobicContact CD1-CB 3.67Å; Y144-A150 HydrophobicContact CE1-CB 3.83Å; Y144-V151 WeakPolarHBondContact O-CG2 3.44Å; Y144-M154 HydrophobicContact CD2-CE 3.64Å; Y144-M154 HydrophobicContact CD2-CG 4.4Å; Y144-M154 HydrophobicContact CD2-SD 3.82Å; Y144-M154 HydrophobicContact CE2-CE 4.39Å; Y144-M154 HydrophobicContact CE2-CG 4.23Å; Y144-M154 HydrophobicContact CE2-SD 4.1Å; Y144-M154 HydrophobicContact CG-CE 4.1Å; Y144-A214 HydrophobicContact CE2-CB 4.18Å; Y144-L215 WeakPolarHBondContact CE2-O 3.42Å; Y144-L215 PolarHBondContact OH-O 2.7Å
145	V	91.9	Very high	92.9	Very high	57 Å²	57	46.7 Å²	46.7	35%	0.345	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-43.9	175.5	175.5	0	0	0	0	110.2	I137 V138 D143	I137-V145 HydrophobicContact CD1-CG2 3.72Å; I137-V145 HydrophobicContact CG1-CG2 3.87Å; V138-V145 HydrophobicContact CG2-CB 4Å; V138-V145 HydrophobicContact CG2-CG2 3.34Å; D143-V145 PolarHBondContact OD1-N 3.12Å
146	S	90	Very high	93.1	Very high	83 Å²	83	41.8 Å²	41.8	58%	0.58	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-31.2	-179.1	81.8	0	0	0	0	113.4	D143 T148	D143-S146 PolarHBondContact OD1-N 2.84Å; D143-S146 PolarHBondContact OD1-OG 3Å; D143-S146 WeakPolarHBondContact OD2-CB 3.48Å; D143-S146 PolarHBondContact OD2-OG 3.04Å; S146-T148 PolarHBondContact O-N 2.83Å
147	D	89.5	Confident	93.2	Very high	61 Å²	61	42.6 Å²	42.6	33%	0.326	24%	0.24	S	C	.	.			trans	-95.4	94.1	-179.3	-171.4	-19.3	0	0	0	111.1	D143 D149 A150 V151	D143-D147 WeakPolarHBondContact O-CB 3.25Å; D143-D147 PolarHBondContact O-N 3.23Å; D147-D149 PolarHBondContact O-N 2.84Å; D147-D149 WeakPolarHBondContact OD1-CB 3.37Å; D147-D149 PolarHBondContact OD1-N 3.1Å; D147-D149 VanDerWaalsContact OD1-N 3.09Å; D147-A150 HydrophobicContact CB-CB 3.75Å; D147-A150 PolarHBondContact O-N 3.11Å; D147-A150 PolarHBondContact OD1-N 2.74Å; D147-A150 WeakPolarHBondContact OD2-CB 3.44Å; D147-V151 PolarHBondContact O-N 3.31Å
148	T	89.5	Confident	93.2	Very high	51 Å²	51	44 Å²	44	31%	0.313	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.2	-179.5	57.3	0	0	0	0	113.6	K110 G111 N112 S146	K110-T148 HydrophobicContact CB-CG2 4.09Å; K110-T148 WeakPolarHBondContact O-CB 3.46Å; K110-T148 WeakPolarHBondContact O-CG2 3.44Å; G111-T148 VanDerWaalsContact CA-O 3.31Å; G111-T148 WeakPolarHBondContact CA-O 3.29Å; N112-T148 PolarHBondContact N-O 2.82Å; N112-T148 VanDerWaalsContact N-O 3.09Å; N112-T148 PolarHBondContact OD1-OG1 2.78Å; S146-T148 PolarHBondContact O-N 2.83Å
149	D	92.8	Very high	93.2	Very high	66 Å²	66	44 Å²	44	35%	0.353	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-39.6	177.9	-160	57.5	0	0	0	110.8	N112 D147 V151 G152 K175	N112-D149 WeakPolarHBondContact ND2-CB 3.35Å; N112-D149 PolarHBondContact ND2-OD1 2.82Å; D147-D149 PolarHBondContact O-N 2.84Å; D147-D149 WeakPolarHBondContact OD1-CB 3.37Å; D147-D149 PolarHBondContact OD1-N 3.1Å; D147-D149 VanDerWaalsContact OD1-N 3.09Å; D149-V151 PolarHBondContact O-N 2.92Å; D149-G152 PolarHBondContact O-N 2.77Å; D149-G152 VanDerWaalsContact O-N 3.09Å; D149-K175 IonicContact OD2-NZ 3.9Å; D149-K175 PolarHBondContact OD2-NZ 2.92Å
150	A	93.4	Very high	93.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-63	-28.3	179.3	0	0	0	0	0	113.9	Y144 D147 G152 T153 Y219	Y144-A150 HydrophobicContact CD1-CB 3.67Å; Y144-A150 HydrophobicContact CE1-CB 3.83Å; D147-A150 HydrophobicContact CB-CB 3.75Å; D147-A150 PolarHBondContact O-N 3.11Å; D147-A150 PolarHBondContact OD1-N 2.74Å; D147-A150 WeakPolarHBondContact OD2-CB 3.44Å; A150-G152 PolarHBondContact O-N 3.05Å; A150-G152 VanDerWaalsContact O-N 3.1Å; A150-T153 VanDerWaalsContact O-CB 3.22Å; A150-T153 WeakPolarHBondContact O-CB 3.26Å; A150-T153 PolarHBondContact O-N 2.93Å; A150-T153 PolarHBondContact O-OG1 3.18Å; A150-Y219 HydrophobicContact CB-CE1 4.13Å; A150-Y219 VanDerWaalsContact CB-OH 3.26Å; A150-Y219 WeakPolarHBondContact CB-OH 3.35Å
151	V	94.9	Very high	93.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-49.2	-32.7	171.1	153.1	0	0	0	0	112.7	L108 L114 Y144 D147 D149 T153 M154	L108-V151 HydrophobicContact CD2-CG1 3.72Å; L108-V151 HydrophobicContact CG-CG1 4.42Å; L114-V151 HydrophobicContact CD1-CG1 3.9Å; Y144-V151 WeakPolarHBondContact O-CG2 3.44Å; D147-V151 PolarHBondContact O-N 3.31Å; D149-V151 PolarHBondContact O-N 2.92Å; V151-T153 PolarHBondContact O-N 2.69Å; V151-M154 HydrophobicContact CG2-CE 4.45Å; V151-M154 PolarHBondContact O-N 3.28Å
152	G	95.8	Very high	93.9	Very high	4 Å²	4	32.8 Å²	32.8	4%	0.041	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-58.9	-16.6	177.5	0	0	0	0	0	114.2	D149 A150 M154 V155 T173 T174 K175	D149-G152 PolarHBondContact O-N 2.77Å; D149-G152 VanDerWaalsContact O-N 3.09Å; A150-G152 PolarHBondContact O-N 3.05Å; A150-G152 VanDerWaalsContact O-N 3.1Å; G152-M154 PolarHBondContact O-N 2.86Å; G152-V155 PolarHBondContact O-N 2.72Å; G152-T173 WeakPolarHBondContact O-CB 3.31Å; G152-T174 WeakPolarHBondContact CA-OG1 3.29Å; G152-T174 PolarHBondContact O-N 3.31Å; G152-T174 PolarHBondContact O-OG1 2.87Å; G152-K175 PolarHBondContact O-N 3.16Å
153	T	96	Very high	93.7	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-61.1	-30.3	173.4	-53.5	0	0	0	0	112	A150 V151 T173 L215 Y219	A150-T153 VanDerWaalsContact O-CB 3.22Å; A150-T153 WeakPolarHBondContact O-CB 3.26Å; A150-T153 PolarHBondContact O-N 2.93Å; A150-T153 PolarHBondContact O-OG1 3.18Å; V151-T153 PolarHBondContact O-N 2.69Å; T153-T173 WeakPolarHBondContact O-CG2 3.03Å; T153-L215 HydrophobicContact CG2-CB 4.21Å; T153-L215 WeakPolarHBondContact O-CD1 3.49Å; T153-Y219 WeakPolarHBondContact OG1-CD1 3.5Å; T153-Y219 WeakPolarHBondContact OG1-CE1 3.5Å
154	M	96.3	Very high	93.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-89.7	-3.1	-180	-64.6	-176.9	-65.6	0	0	113.3	V128 F129 I137 Y144 V151 G152 L215	V128-M154 CarbonylContact C-O 3.57Å; V128-M154 VanDerWaalsContact CA-O 3.32Å; V128-M154 WeakPolarHBondContact CA-O 2.96Å; F129-M154 PolarHBondContact N-O 3.42Å; F129-M154 WeakPolarHBondContact O-CB 3.22Å; I137-M154 HydrophobicContact CG2-CE 4.45Å; I137-M154 HydrophobicContact CG2-SD 4.3Å; Y144-M154 HydrophobicContact CD2-CE 3.64Å; Y144-M154 HydrophobicContact CD2-CG 4.4Å; Y144-M154 HydrophobicContact CD2-SD 3.82Å; Y144-M154 HydrophobicContact CE2-CE 4.39Å; Y144-M154 HydrophobicContact CE2-CG 4.23Å; Y144-M154 HydrophobicContact CE2-SD 4.1Å; Y144-M154 HydrophobicContact CG-CE 4.1Å; V151-M154 HydrophobicContact CG2-CE 4.45Å; V151-M154 PolarHBondContact O-N 3.28Å; G152-M154 PolarHBondContact O-N 2.86Å; M154-L215 HydrophobicContact CG-CD1 4.47Å
155	V	97.5	Very high	93.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.6	-170.7	-171.9	0	0	0	0	110	L108 L114 L117 Y126 V128 G152 T173 T174	L108-V155 HydrophobicContact CD2-CG2 3.45Å; L108-V155 VanDerWaalsContact CD2-CG2 3.45Å; L114-V155 HydrophobicContact CD1-CB 4.33Å; L114-V155 HydrophobicContact CD1-CG2 3.85Å; L114-V155 HydrophobicContact CD2-CB 4.44Å; L114-V155 HydrophobicContact CD2-CG1 3.95Å; L117-V155 HydrophobicContact CD1-CG2 4.36Å; L117-V155 HydrophobicContact CD2-CG1 4.49Å; Y126-V155 HydrophobicContact CD1-CG1 3.72Å; Y126-V155 HydrophobicContact CG-CG1 4.25Å; V128-V155 HydrophobicContact CG1-CG1 4.22Å; V128-V155 HydrophobicContact CG1-CG2 4.04Å; G152-V155 PolarHBondContact O-N 2.72Å; V155-T173 CarbonylContact O-C 3.59Å; V155-T173 VanDerWaalsContact O-CA 3.26Å; V155-T173 WeakPolarHBondContact O-CA 3.29Å; V155-T174 HydrophobicContact CB-CG2 4.31Å; V155-T174 HydrophobicContact CG1-CG2 4.06Å; V155-T174 PolarHBondContact O-N 3.31Å; V155-T174 PolarHBondContact O-OG1 3.22Å
156	S	97.4	Very high	93.6	Very high	1 Å²	1	44 Å²	44	1%	0.007	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.5	172.2	174.3	0	0	0	0	109.7	Y126 T127 W160 I171 P172	Y126-S156 CarbonylContact C-O 3.5Å; Y126-S156 VanDerWaalsContact CA-O 3.28Å; Y126-S156 WeakPolarHBondContact CA-O 3.39Å; T127-S156 PolarHBondContact N-O 3.47Å; T127-S156 PolarHBondContact O-N 2.84Å; S156-W160 VanDerWaalsContact OG-CD1 3.26Å; S156-W160 PolarHBondContact OG-NE1 2.59Å; S156-I171 WeakPolarHBondContact OG-CG2 3.36Å; S156-P172 WeakPolarHBondContact CA-O 3.11Å; S156-P172 VanDerWaalsContact CB-O 3.23Å; S156-P172 WeakPolarHBondContact CB-O 3.26Å; S156-P172 PolarHBondContact OG-O 2.94Å
157	S	95.3	Very high	93.7	Very high	76 Å²	76	44.3 Å²	44.3	53%	0.531	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	147.3	166.9	-58	0	0	0	0	110.6	W160	S157-W160 PolarHBondContact O-NE1 3.48Å
158	G	94.3	Very high	93.8	Very high	29 Å²	29	43.2 Å²	43.2	30%	0.299	23%	0.229	S	C	.	.	S	Bend	trans	82.7	173.3	-177.7	0	0	0	0	0	114.2	V125 Y126 T127	V125-G158 PolarHBondContact O-N 2.87Å; Y126-G158 CarbonylContact C-O 3.42Å; T127-G158 PolarHBondContact N-O 3.39Å; T127-G158 VanDerWaalsContact N-O 3.08Å; T127-G158 PolarHBondContact OG1-O 3.13Å
159	R	93.9	Very high	94.1	Very high	68 Å²	68	41.6 Å²	41.6	26%	0.257	22%	0.217	S	C	.	.			trans	-95.1	118.6	173.3	-64.9	-178	170.9	-81.2	-2.5	109.3	V125 T127 Y161 E202 A203 G206	V125-R159 HydrophobicContact CG1-CG 3.5Å; T127-R159 WeakPolarHBondContact OG1-CA 3.24Å; R159-Y161 HydrophobicContact CB-CD2 4.28Å; R159-Y161 HydrophobicContact CB-CE2 3.75Å; R159-Y161 WeakPolarHBondContact CD-OH 3.44Å; R159-E202 IonicContact CZ-OE2 2.75Å; R159-E202 IonicContact NH1-OE2 2.82Å; R159-E202 PolarHBondContact NH1-OE2 2.85Å; R159-E202 IonicContact NH2-OE2 3.27Å; R159-A203 PolarHBondContact NH2-O 2.79Å; R159-G206 PolarHBondContact NH1-O 3.37Å; R159-G206 PolarHBondContact NH2-O 2.84Å
160	W	96.1	Very high	94.2	Very high	60 Å²	60	41.9 Å²	41.9	23%	0.227	22%	0.216	C	C	.	.			trans	-111.9	90.4	178.4	-69.3	93.8	0	0	0	109.6	T127 F129 S156 S157 F165 I171 L207 H209	T127-W160 HydrophobicContact CG2-CB 4.23Å; T127-W160 PolarHBondContact OG1-N 2.81Å; F129-W160 HydrophobicContact CZ-CB 4.47Å; S156-W160 VanDerWaalsContact OG-CD1 3.26Å; S156-W160 PolarHBondContact OG-NE1 2.59Å; S157-W160 PolarHBondContact O-NE1 3.48Å; W160-F165 HydrophobicContact CB-CE1 4.07Å; W160-I171 HydrophobicContact CB-CD1 4.43Å; W160-I171 HydrophobicContact CD2-CD1 4.4Å; W160-I171 HydrophobicContact CD2-CG1 4.15Å; W160-I171 HydrophobicContact CD2-CG2 3.92Å; W160-I171 HydrophobicContact CE3-CD1 4.39Å; W160-I171 HydrophobicContact CE3-CG1 4.05Å; W160-I171 HydrophobicContact CG-CD1 4.47Å; W160-I171 HydrophobicContact CG-CG2 3.97Å; W160-I171 HydrophobicContact CZ2-CG2 4.34Å; W160-I171 HydrophobicContact CZ3-CG1 4.39Å; W160-L207 VanDerWaalsContact O-CD2 3.31Å; W160-L207 WeakPolarHBondContact O-CD2 3.36Å; W160-H209 PolarHBondContact O-NE2 2.82Å
161	Y	94.3	Very high	94.3	Very high	47 Å²	47	41.9 Å²	41.9	18%	0.184	22%	0.216	C	C	.	.			trans	-74.3	145	-177.2	-70.6	-80.9	0	0	0	112.3	R159 K163 E164 D200 E202 L207	R159-Y161 HydrophobicContact CB-CD2 4.28Å; R159-Y161 HydrophobicContact CB-CE2 3.75Å; R159-Y161 WeakPolarHBondContact CD-OH 3.44Å; Y161-K163 PolarHBondContact O-N 2.92Å; Y161-E164 WeakPolarHBondContact O-CB 3.18Å; Y161-E164 PolarHBondContact O-N 3.24Å; Y161-D200 WeakPolarHBondContact CA-OD1 3.4Å; Y161-D200 HydrophobicContact CD1-CB 4.39Å; Y161-E202 WeakPolarHBondContact CE1-OE1 3.33Å; Y161-E202 VanDerWaalsContact CZ-OE1 3.29Å; Y161-E202 PolarHBondContact OH-OE1 2.9Å; Y161-L207 HydrophobicContact CD1-CD1 4.24Å; Y161-L207 HydrophobicContact CD1-CD2 3.95Å; Y161-L207 HydrophobicContact CE1-CD1 3.85Å; Y161-L207 HydrophobicContact CE1-CD2 4.22Å; Y161-L207 HydrophobicContact CG-CD2 4.31Å
162	S	92.6	Very high	94.4	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.021	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-64.1	-27.2	-177.2	70	0	0	0	0	113.4	W47 E164 F165 D200	W47-S162 WeakPolarHBondContact CH2-O 3.3Å; S162-E164 PolarHBondContact O-N 2.46Å; S162-F165 WeakPolarHBondContact O-CB 3.33Å; S162-F165 PolarHBondContact O-N 2.72Å; S162-F165 VanDerWaalsContact O-N 3.1Å; S162-D200 PolarHBondContact N-OD1 2.8Å; S162-D200 PolarHBondContact N-OD2 3.17Å; S162-D200 PolarHBondContact OG-OD2 3.27Å
163	K	89.4	Confident	94.5	Very high	160 Å²	160	45.4 Å²	45.4	70%	0.696	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-59.4	-23.3	171.9	78.2	-175.4	-178.2	-179.3	0	113.6	Y161	Y161-K163 PolarHBondContact O-N 2.92Å
164	E	91	Very high	94.4	Very high	90 Å²	90	48.1 Å²	48.1	42%	0.421	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-94.7	-4.5	-177.8	-58.2	176.7	-176.8	0	0	111.6	Y161 S162 H166 Q169	Y161-E164 WeakPolarHBondContact O-CB 3.18Å; Y161-E164 PolarHBondContact O-N 3.24Å; S162-E164 PolarHBondContact O-N 2.46Å; E164-H166 PolarHBondContact O-CD2 3.47Å; E164-H166 PolarHBondContact O-N 2.87Å; E164-Q169 PolarHBondContact O-OE1 2.87Å
165	F	94.3	Very high	94.3	Very high	14 Å²	14	50.8 Å²	50.8	6%	0.061	27%	0.266	C	S	.	.			trans	-70.7	121.6	178.8	-68	-8	0	0	0	111.5	F129 W160 S162 Q169 I171 V181 T189 L191 L196 H209	F129-F165 AromaticContact CE1-CZ 3.97Å; F129-F165 HydrophobicContact CE1-CZ 3.97Å; F129-F165 HydrophobicContact CZ-CZ 4.43Å; W160-F165 HydrophobicContact CB-CE1 4.07Å; S162-F165 WeakPolarHBondContact O-CB 3.33Å; S162-F165 PolarHBondContact O-N 2.72Å; S162-F165 VanDerWaalsContact O-N 3.1Å; F165-Q169 VanDerWaalsContact CA-OE1 3.28Å; F165-I171 HydrophobicContact CD1-CD1 4.16Å; F165-I171 HydrophobicContact CE1-CD1 3.58Å; F165-I171 HydrophobicContact CZ-CD1 4.12Å; F165-V181 HydrophobicContact CB-CG1 3.88Å; F165-V181 HydrophobicContact CG-CG1 4.24Å; F165-T189 HydrophobicContact CB-CG2 4.2Å; F165-T189 HydrophobicContact CD2-CG2 4.01Å; F165-L191 HydrophobicContact CE2-CD1 4.4Å; F165-L191 HydrophobicContact CE2-CD2 4.28Å; F165-L196 HydrophobicContact CD2-CD2 3.75Å; F165-L196 HydrophobicContact CE2-CD2 3.7Å; F165-H209 AromaticContact CZ-NE2 3.76Å
166	H	92.3	Very high	94.1	Very high	110 Å²	110	54.1 Å²	54.1	51%	0.509	30%	0.3	S	S	.	.			trans	-131.3	152.7	174.3	64.4	81.9	0	0	0	111.4	E164 G168 Q169	E164-H166 PolarHBondContact O-CD2 3.47Å; E164-H166 PolarHBondContact O-N 2.87Å; H166-G168 PolarHBondContact O-N 3.03Å; H166-Q169 VanDerWaalsContact N-OE1 3.17Å; H166-Q169 VanDerWaalsContact O-CB 3.26Å; H166-Q169 WeakPolarHBondContact O-CB 3.2Å; H166-Q169 PolarHBondContact O-N 3.43Å; H166-Q169 VanDerWaalsContact O-N 3.17Å
167	N	92.1	Very high	93.9	Very high	90 Å²	90	55.2 Å²	55.2	48%	0.481	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	133.1	178.7	-170.3	59.1	0	0	0	110.8	T182 T183	N167-T182 VanDerWaalsContact OD1-CA 3.32Å; N167-T182 WeakPolarHBondContact OD1-CA 3.34Å; N167-T183 WeakPolarHBondContact CB-OG1 3.41Å; N167-T183 PolarHBondContact OD1-N 2.61Å; N167-T183 VanDerWaalsContact OD1-N 3.08Å; N167-T183 PolarHBondContact OD1-O 2.71Å
168	G	91.5	Very high	93.9	Very high	38 Å²	38	54.8 Å²	54.8	39%	0.392	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-4.7	-179.8	0	0	0	0	0	114.7	H166 V181 W257	H166-G168 PolarHBondContact O-N 3.03Å; G168-V181 PolarHBondContact N-O 2.76Å; G168-W257 WeakPolarHBondContact O-CH2 3.49Å; G168-W257 WeakPolarHBondContact O-CZ2 3.15Å
169	Q	94.6	Very high	94.1	Very high	17 Å²	17	53.5 Å²	53.5	8%	0.079	28%	0.284	C	S	.	.			trans	-68.5	141.7	178.9	-174	-179.6	1.9	0	0	111.8	E164 F165 H166 I171 V181 W257	E164-Q169 PolarHBondContact O-OE1 2.87Å; F165-Q169 VanDerWaalsContact CA-OE1 3.28Å; H166-Q169 VanDerWaalsContact N-OE1 3.17Å; H166-Q169 VanDerWaalsContact O-CB 3.26Å; H166-Q169 WeakPolarHBondContact O-CB 3.2Å; H166-Q169 PolarHBondContact O-N 3.43Å; H166-Q169 VanDerWaalsContact O-N 3.17Å; Q169-I171 HydrophobicContact CG-CG1 4.38Å; Q169-V181 HydrophobicContact CB-CB 3.92Å; Q169-V181 HydrophobicContact CB-CG2 3.87Å; Q169-V181 HydrophobicContact CG-CG2 4.22Å; Q169-V181 PolarHBondContact O-N 3Å; Q169-W257 WeakPolarHBondContact O-CH2 3.34Å
170	K	94.9	Very high	94.2	Very high	72 Å²	72	50.3 Å²	50.3	31%	0.313	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119	173.9	-69.3	-179.6	-179.1	-178.3	0	108.4	N178 I179 S254 W257	K170-N178 HydrophobicContact CB-CB 3.93Å; K170-N178 HydrophobicContact CG-CB 4.28Å; K170-I179 WeakPolarHBondContact CA-O 3.32Å; K170-S254 PolarHBondContact NZ-O 2.88Å; K170-W257 HydrophobicContact CG-CZ2 3.88Å
171	I	96.9	Very high	94.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.6	176.2	-61.4	173.8	0	0	0	108.4	F129 S156 W160 F165 Q169 T173 N178 I179 V181 L191	F129-I171 HydrophobicContact CE2-CG2 4.12Å; F129-I171 HydrophobicContact CZ-CD1 3.97Å; F129-I171 HydrophobicContact CZ-CG2 4.21Å; S156-I171 WeakPolarHBondContact OG-CG2 3.36Å; W160-I171 HydrophobicContact CB-CD1 4.43Å; W160-I171 HydrophobicContact CD2-CD1 4.4Å; W160-I171 HydrophobicContact CD2-CG1 4.15Å; W160-I171 HydrophobicContact CD2-CG2 3.92Å; W160-I171 HydrophobicContact CE3-CD1 4.39Å; W160-I171 HydrophobicContact CE3-CG1 4.05Å; W160-I171 HydrophobicContact CG-CD1 4.47Å; W160-I171 HydrophobicContact CG-CG2 3.97Å; W160-I171 HydrophobicContact CZ2-CG2 4.34Å; W160-I171 HydrophobicContact CZ3-CG1 4.39Å; F165-I171 HydrophobicContact CD1-CD1 4.16Å; F165-I171 HydrophobicContact CE1-CD1 3.58Å; F165-I171 HydrophobicContact CZ-CD1 4.12Å; Q169-I171 HydrophobicContact CG-CG1 4.38Å; I171-T173 PolarHBondContact O-N 3.05Å; I171-N178 CarbonylContact O-C 3.43Å; I171-N178 WeakPolarHBondContact O-CA 3.04Å; I171-I179 HydrophobicContact CB-CB 4.24Å; I171-I179 PolarHBondContact N-O 3.27Å; I171-I179 PolarHBondContact O-N 2.81Å; I171-V181 HydrophobicContact CD1-CG2 3.71Å; I171-V181 HydrophobicContact CG1-CG2 4.05Å; I171-L191 HydrophobicContact CD1-CD2 4.44Å
172	P	96.4	Very high	94.1	Very high	67 Å²	67	45.3 Å²	45.3	44%	0.435	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.6	-178.5	-19.8	32.6	0	0	0	112.5	S156 N178	S156-P172 WeakPolarHBondContact CA-O 3.11Å; S156-P172 VanDerWaalsContact CB-O 3.23Å; S156-P172 WeakPolarHBondContact CB-O 3.26Å; S156-P172 PolarHBondContact OG-O 2.94Å; P172-N178 WeakPolarHBondContact CA-OD1 3.29Å
173	T	96.8	Very high	94	Very high	11 Å²	11	47.1 Å²	47.1	7%	0.067	27%	0.265	C	S	.	.			trans	-94.6	157.6	175.2	74.3	0	0	0	0	110.8	G152 T153 V155 I171 K175 G176 T177 I179	G152-T173 WeakPolarHBondContact O-CB 3.31Å; T153-T173 WeakPolarHBondContact O-CG2 3.03Å; V155-T173 CarbonylContact O-C 3.59Å; V155-T173 VanDerWaalsContact O-CA 3.26Å; V155-T173 WeakPolarHBondContact O-CA 3.29Å; I171-T173 PolarHBondContact O-N 3.05Å; T173-K175 PolarHBondContact O-N 2.72Å; T173-K175 PolarHBondContact OG1-N 3.35Å; T173-G176 PolarHBondContact O-N 3.14Å; T173-G176 PolarHBondContact OG1-N 3.19Å; T173-T177 WeakPolarHBondContact CG2-O 3.18Å; T173-T177 PolarHBondContact N-O 2.79Å; T173-T177 PolarHBondContact OG1-N 3.39Å; T173-T177 PolarHBondContact OG1-O 3.16Å; T173-T177 PolarHBondContact OG1-OG1 2.87Å; T173-T177 VanDerWaalsContact OG1-OG1 3.05Å; T173-I179 HydrophobicContact CG2-CD1 3.75Å; T173-I179 HydrophobicContact CG2-CG1 3.58Å
174	T	95.4	Very high	93.8	Very high	57 Å²	57	42 Å²	42	35%	0.35	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.5	173	57	0	0	0	0	112.6	L114 G152 V155 G176	L114-T174 HydrophobicContact CD2-CG2 4.18Å; G152-T174 WeakPolarHBondContact CA-OG1 3.29Å; G152-T174 PolarHBondContact O-N 3.31Å; G152-T174 PolarHBondContact O-OG1 2.87Å; V155-T174 HydrophobicContact CB-CG2 4.31Å; V155-T174 HydrophobicContact CG1-CG2 4.06Å; V155-T174 PolarHBondContact O-N 3.31Å; V155-T174 PolarHBondContact O-OG1 3.22Å; T174-G176 PolarHBondContact O-N 2.74Å
175	K	94.2	Very high	93.3	Very high	57 Å²	57	42.7 Å²	42.7	25%	0.248	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.6	169.8	-175.8	53.4	176.7	167.4	0	113.3	D149 G152 T173 Y219	D149-K175 IonicContact OD2-NZ 3.9Å; D149-K175 PolarHBondContact OD2-NZ 2.92Å; G152-K175 PolarHBondContact O-N 3.16Å; T173-K175 PolarHBondContact O-N 2.72Å; T173-K175 PolarHBondContact OG1-N 3.35Å; K175-Y219 HydrophobicContact CG-CD1 3.89Å; K175-Y219 HydrophobicContact CG-CG 4.03Å
176	G	92.7	Very high	92.6	Very high	69 Å²	69	42.4 Å²	42.4	71%	0.711	26%	0.255	S	S	*	.	S	Bend	trans	87.8	10.2	178.4	0	0	0	0	0	114.6	T173 T174	T173-G176 PolarHBondContact O-N 3.14Å; T173-G176 PolarHBondContact OG1-N 3.19Å; T174-G176 PolarHBondContact O-N 2.74Å
177	T	93.6	Very high	92.2	Very high	25 Å²	25	37.4 Å²	37.4	15%	0.153	23%	0.234	C	C	.	.			trans	-103.4	172.5	171.1	55.9	0	0	0	0	111.5	T173 Y219	T173-T177 WeakPolarHBondContact CG2-O 3.18Å; T173-T177 PolarHBondContact N-O 2.79Å; T173-T177 PolarHBondContact OG1-N 3.39Å; T173-T177 PolarHBondContact OG1-O 3.16Å; T173-T177 PolarHBondContact OG1-OG1 2.87Å; T173-T177 VanDerWaalsContact OG1-OG1 3.05Å; T177-Y219 VanDerWaalsContact CG2-CA 3.47Å; T177-Y219 VanDerWaalsContact CG2-CB 3.48Å
178	N	95.4	Very high	92.1	Very high	66 Å²	66	33.2 Å²	33.2	35%	0.353	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.9	174.7	-64.8	-56.7	0	0	0	111	K170 I171 P172 K180	K170-N178 HydrophobicContact CB-CB 3.93Å; K170-N178 HydrophobicContact CG-CB 4.28Å; I171-N178 CarbonylContact O-C 3.43Å; I171-N178 WeakPolarHBondContact O-CA 3.04Å; P172-N178 WeakPolarHBondContact CA-OD1 3.29Å; N178-K180 PolarHBondContact O-NZ 3.1Å
179	I	97	Very high	92.1	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.2	163.7	-62.8	161.1	0	0	0	107.5	F129 K170 I171 T173 L191 L215	F129-I179 HydrophobicContact CD2-CD1 3.34Å; F129-I179 HydrophobicContact CE2-CD1 3.55Å; F129-I179 HydrophobicContact CG-CD1 4.05Å; F129-I179 HydrophobicContact CZ-CD1 4.4Å; K170-I179 WeakPolarHBondContact CA-O 3.32Å; I171-I179 HydrophobicContact CB-CB 4.24Å; I171-I179 PolarHBondContact N-O 3.27Å; I171-I179 PolarHBondContact O-N 2.81Å; T173-I179 HydrophobicContact CG2-CD1 3.75Å; T173-I179 HydrophobicContact CG2-CG1 3.58Å; I179-L191 HydrophobicContact CG2-CB 3.74Å; I179-L191 HydrophobicContact CG2-CD2 3.86Å; I179-L191 HydrophobicContact CG2-CG 4.35Å; I179-L215 HydrophobicContact CD1-CD1 3.54Å; I179-L215 HydrophobicContact CG1-CD1 3.86Å; I179-L215 HydrophobicContact CG2-CD2 4.33Å
180	K	96	Very high	92.2	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.9	-179	-64.3	161.7	-70.2	-60.7	0	109.1	N178 D192 W257 M293 M343 S344	N178-K180 PolarHBondContact O-NZ 3.1Å; K180-D192 VanDerWaalsContact CB-OD1 3.29Å; K180-D192 WeakPolarHBondContact CB-OD1 3.29Å; K180-D192 WeakPolarHBondContact CE-OD1 3.33Å; K180-D192 PolarHBondContact N-OD1 3.04Å; K180-D192 VanDerWaalsContact NZ-CG 3.33Å; K180-D192 IonicContact NZ-OD1 3.85Å; K180-D192 PolarHBondContact NZ-OD1 2.89Å; K180-D192 IonicContact NZ-OD2 2.66Å; K180-D192 PolarHBondContact NZ-OD2 2.85Å; K180-D192 PolarHBondContact O-N 3.44Å; K180-W257 HydrophobicContact CB-CD2 4.46Å; K180-W257 HydrophobicContact CB-CE3 4.38Å; K180-W257 HydrophobicContact CB-CH2 3.57Å; K180-W257 HydrophobicContact CB-CZ2 3.69Å; K180-W257 HydrophobicContact CB-CZ3 3.95Å; K180-W257 HydrophobicContact CD-CD2 4.29Å; K180-W257 HydrophobicContact CD-CZ2 4.38Å; K180-W257 HydrophobicContact CG-CD2 4.33Å; K180-W257 HydrophobicContact CG-CH2 4.03Å; K180-W257 HydrophobicContact CG-CZ2 3.58Å; K180-M293 HydrophobicContact CB-CE 3.7Å; K180-M293 HydrophobicContact CB-SD 4.41Å; K180-M293 HydrophobicContact CD-SD 4.14Å; K180-M343 VanDerWaalsContact CE-CE 3.43Å; K180-S344 WeakPolarHBondContact CE-O 3.31Å; K180-S344 PolarHBondContact NZ-O 3.28Å; K180-S344 VanDerWaalsContact NZ-O 3.08Å
181	V	96.2	Very high	92.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.5	175.7	-171.7	0	0	0	0	109.1	F165 G168 Q169 I171 T189 F190 L191 W257	F165-V181 HydrophobicContact CB-CG1 3.88Å; F165-V181 HydrophobicContact CG-CG1 4.24Å; G168-V181 PolarHBondContact N-O 2.76Å; Q169-V181 HydrophobicContact CB-CB 3.92Å; Q169-V181 HydrophobicContact CB-CG2 3.87Å; Q169-V181 HydrophobicContact CG-CG2 4.22Å; Q169-V181 PolarHBondContact O-N 3Å; I171-V181 HydrophobicContact CD1-CG2 3.71Å; I171-V181 HydrophobicContact CG1-CG2 4.05Å; V181-T189 HydrophobicContact CG1-CG2 4.04Å; V181-F190 WeakPolarHBondContact CA-O 3.1Å; V181-L191 HydrophobicContact CB-CD2 4.43Å; V181-L191 HydrophobicContact CG1-CD2 4.43Å; V181-L191 HydrophobicContact CG2-CD2 3.77Å; V181-W257 WeakPolarHBondContact O-CH2 3.41Å; V181-W257 WeakPolarHBondContact O-CZ3 3.47Å
182	T	93.7	Very high	92.3	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.6	168.8	45	0	0	0	0	111.2	N167 Y184 T189 F190 W257 M293	N167-T182 VanDerWaalsContact OD1-CA 3.32Å; N167-T182 WeakPolarHBondContact OD1-CA 3.34Å; T182-Y184 WeakPolarHBondContact OG1-CE2 3.37Å; T182-Y184 PolarHBondContact OG1-OH 3.44Å; T182-T189 WeakPolarHBondContact O-CA 2.95Å; T182-F190 PolarHBondContact N-O 3.15Å; T182-F190 PolarHBondContact O-N 2.99Å; T182-W257 HydrophobicContact CG2-CE3 4.08Å; T182-W257 HydrophobicContact CG2-CZ3 3.7Å; T182-M293 HydrophobicContact CG2-CB 4.24Å; T182-M293 HydrophobicContact CG2-CE 3.23Å
183	T	89.8	Confident	92.2	Very high	42 Å²	42	24.1 Å²	24.1	26%	0.258	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.2	171.5	73.4	0	0	0	0	109.1	N167 L188 T189	N167-T183 WeakPolarHBondContact CB-OG1 3.41Å; N167-T183 PolarHBondContact OD1-N 2.61Å; N167-T183 VanDerWaalsContact OD1-N 3.08Å; N167-T183 PolarHBondContact OD1-O 2.71Å; T183-L188 WeakPolarHBondContact CA-O 3.17Å; T183-T189 HydrophobicContact CG2-CG2 4.05Å
184	Y	85.3	Confident	92.2	Very high	52 Å²	52	26.4 Å²	26.4	20%	0.204	16%	0.163	C	C	.	.			trans	-123.4	165.9	-174.1	-59.4	-91.6	0	0	0	110.8	T182 N186 G187 L188 F190 M293 C295 A298	T182-Y184 WeakPolarHBondContact OG1-CE2 3.37Å; T182-Y184 PolarHBondContact OG1-OH 3.44Å; Y184-N186 WeakPolarHBondContact CB-OD1 3.37Å; Y184-N186 PolarHBondContact O-N 2.72Å; Y184-G187 PolarHBondContact O-N 2.78Å; Y184-L188 PolarHBondContact N-O 3.01Å; Y184-F190 AromaticContact CD2-CD2 3.64Å; Y184-F190 HydrophobicContact CD2-CD2 3.64Å; Y184-F190 AromaticContact CD2-CE2 3.7Å; Y184-F190 HydrophobicContact CD2-CE2 3.7Å; Y184-F190 AromaticContact CE2-CD2 3.43Å; Y184-F190 HydrophobicContact CE2-CD2 3.43Å; Y184-F190 VanDerWaalsContact CE2-CD2 3.43Å; Y184-F190 AromaticContact CE2-CE2 3.79Å; Y184-F190 HydrophobicContact CE2-CE2 3.79Å; Y184-F190 HydrophobicContact CE2-CG 4.27Å; Y184-M293 PolarHBondContact OH-O 3.31Å; Y184-C295 HydrophobicContact CE2-CB 4.48Å; Y184-C295 PolarHBondContact OH-N 3.39Å; Y184-C295 PolarHBondContact OH-SG 3.36Å; Y184-A298 HydrophobicContact CD1-CB 3.69Å; Y184-A298 HydrophobicContact CD2-CB 3.4Å; Y184-A298 HydrophobicContact CE1-CB 3.61Å; Y184-A298 HydrophobicContact CE2-CB 3.33Å; Y184-A298 HydrophobicContact CG-CB 3.58Å; Y184-A298 VanDerWaalsContact CZ-CB 3.43Å
185	S	80	Confident	92.1	Very high	104 Å²	104	23.7 Å²	23.7	73%	0.727	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-9.7	-177.2	61.6	0	0	0	0	114.8	L55 G187	L55-S185 WeakPolarHBondContact CD2-O 3.22Å; S185-G187 VanDerWaalsContact C-N 3.33Å
186	N	79.5	Confident	92.2	Very high	8 Å²	8	21 Å²	21	4%	0.043	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0	172.9	63.1	2.2	0	0	0	113.5	V59 Y184 L188 A298 V300	V59-N186 HydrophobicContact CG2-CB 4.36Å; Y184-N186 WeakPolarHBondContact CB-OD1 3.37Å; Y184-N186 PolarHBondContact O-N 2.72Å; N186-L188 VanDerWaalsContact C-N 3.31Å; N186-L188 PolarHBondContact O-N 3.26Å; N186-L188 PolarHBondContact OD1-N 3.49Å; N186-A298 PolarHBondContact ND2-O 3.04Å; N186-A298 VanDerWaalsContact ND2-O 3.12Å; N186-V300 HydrophobicContact CB-CG2 4.03Å; N186-V300 WeakPolarHBondContact ND2-CG1 3.42Å
187	G	83.8	Confident	92.2	Very high	6 Å²	6	18.2 Å²	18.2	6%	0.062	10%	0.103	C	C	.	.	S	Bend	trans	86.9	-13.8	179.5	0	0	0	0	0	114.7	I48 C49 Y184 S185	I48-G187 CarbonylContact C-O 3.39Å; I48-G187 WeakPolarHBondContact CA-O 3.16Å; C49-G187 PolarHBondContact N-O 2.97Å; Y184-G187 PolarHBondContact O-N 2.78Å; S185-G187 VanDerWaalsContact C-N 3.33Å
188	L	89.7	Confident	92.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-65.5	139.6	-179.4	-72.5	178.2	0	0	0	111.3	L35 W39 I48 T183 Y184 N186 F190 V300	L35-L188 HydrophobicContact CB-CD2 4.05Å; L35-L188 HydrophobicContact CD2-CD1 3.77Å; L35-L188 HydrophobicContact CD2-CD2 3.82Å; L35-L188 HydrophobicContact CD2-CG 3.6Å; W39-L188 HydrophobicContact CH2-CD1 4.47Å; I48-L188 HydrophobicContact CG2-CD2 3.96Å; I48-L188 HydrophobicContact CG2-CG 4.44Å; T183-L188 WeakPolarHBondContact CA-O 3.17Å; Y184-L188 PolarHBondContact N-O 3.01Å; N186-L188 VanDerWaalsContact C-N 3.31Å; N186-L188 PolarHBondContact O-N 3.26Å; N186-L188 PolarHBondContact OD1-N 3.49Å; L188-F190 HydrophobicContact CB-CD2 4.22Å; L188-F190 HydrophobicContact CB-CE2 3.44Å; L188-F190 VanDerWaalsContact CB-CE2 3.44Å; L188-F190 HydrophobicContact CB-CZ 4.02Å; L188-F190 HydrophobicContact CD1-CE2 4Å; L188-F190 HydrophobicContact CD1-CZ 3.76Å; L188-F190 HydrophobicContact CG-CE2 4.37Å; L188-V300 HydrophobicContact CD1-CG1 3.96Å
189	T	93.1	Very high	91.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.1	173.9	-60.3	0	0	0	0	110.1	W47 F165 V181 T182 T183 L196	W47-T189 HydrophobicContact CZ3-CG2 4.26Å; W47-T189 VanDerWaalsContact CZ3-OG1 3.28Å; W47-T189 WeakPolarHBondContact CZ3-OG1 3.45Å; F165-T189 HydrophobicContact CB-CG2 4.2Å; F165-T189 HydrophobicContact CD2-CG2 4.01Å; V181-T189 HydrophobicContact CG1-CG2 4.04Å; T182-T189 WeakPolarHBondContact O-CA 2.95Å; T183-T189 HydrophobicContact CG2-CG2 4.05Å; T189-L196 HydrophobicContact CG2-CD2 4.22Å; T189-L196 WeakPolarHBondContact O-CB 3.42Å; T189-L196 PolarHBondContact O-N 3.27Å
190	F	95.4	Very high	91.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.1	-178.2	-64.7	-98.1	0	0	0	111.1	V181 T182 Y184 L188 K194 A195 C295 D297 A298	V181-F190 WeakPolarHBondContact CA-O 3.1Å; T182-F190 PolarHBondContact N-O 3.15Å; T182-F190 PolarHBondContact O-N 2.99Å; Y184-F190 AromaticContact CD2-CD2 3.64Å; Y184-F190 HydrophobicContact CD2-CD2 3.64Å; Y184-F190 AromaticContact CD2-CE2 3.7Å; Y184-F190 HydrophobicContact CD2-CE2 3.7Å; Y184-F190 AromaticContact CE2-CD2 3.43Å; Y184-F190 HydrophobicContact CE2-CD2 3.43Å; Y184-F190 VanDerWaalsContact CE2-CD2 3.43Å; Y184-F190 AromaticContact CE2-CE2 3.79Å; Y184-F190 HydrophobicContact CE2-CE2 3.79Å; Y184-F190 HydrophobicContact CE2-CG 4.27Å; L188-F190 HydrophobicContact CB-CD2 4.22Å; L188-F190 HydrophobicContact CB-CE2 3.44Å; L188-F190 VanDerWaalsContact CB-CE2 3.44Å; L188-F190 HydrophobicContact CB-CZ 4.02Å; L188-F190 HydrophobicContact CD1-CE2 4Å; L188-F190 HydrophobicContact CD1-CZ 3.76Å; L188-F190 HydrophobicContact CG-CE2 4.37Å; F190-K194 CarbonylContact C-O 3.52Å; F190-K194 VanDerWaalsContact CA-O 3.25Å; F190-K194 WeakPolarHBondContact CA-O 3.48Å; F190-A195 HydrophobicContact CD1-CB 3.99Å; F190-A195 HydrophobicContact CE1-CB 3.68Å; F190-A195 HydrophobicContact CZ-CB 4.39Å; F190-C295 HydrophobicContact CD1-CB 4.35Å; F190-C295 HydrophobicContact CG-CB 4.48Å; F190-D297 HydrophobicContact CE1-CB 3.61Å; F190-D297 VanDerWaalsContact CZ-C 3.5Å; F190-D297 HydrophobicContact CZ-CB 3.95Å; F190-A298 HydrophobicContact CE2-CB 3.88Å; F190-A298 HydrophobicContact CZ-CB 4.19Å
191	L	96.9	Very high	91.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.9	174.6	-62	174	0	0	0	107.5	F129 F165 I171 I179 V181 C193 K194 L196 I211 L215	F129-L191 HydrophobicContact CD1-CD1 3.27Å; F129-L191 HydrophobicContact CE1-CD1 3.5Å; F129-L191 HydrophobicContact CG-CD1 4.24Å; F165-L191 HydrophobicContact CE2-CD1 4.4Å; F165-L191 HydrophobicContact CE2-CD2 4.28Å; I171-L191 HydrophobicContact CD1-CD2 4.44Å; I179-L191 HydrophobicContact CG2-CB 3.74Å; I179-L191 HydrophobicContact CG2-CD2 3.86Å; I179-L191 HydrophobicContact CG2-CG 4.35Å; V181-L191 HydrophobicContact CB-CD2 4.43Å; V181-L191 HydrophobicContact CG1-CD2 4.43Å; V181-L191 HydrophobicContact CG2-CD2 3.77Å; L191-C193 PolarHBondContact O-N 3.39Å; L191-K194 PolarHBondContact N-O 3.45Å; L191-K194 WeakPolarHBondContact O-CB 3.4Å; L191-K194 PolarHBondContact O-N 3.25Å; L191-L196 HydrophobicContact CD1-CD1 4.18Å; L191-I211 HydrophobicContact CD1-CG2 3.79Å; L191-L215 HydrophobicContact CB-CD2 4.17Å; L191-L215 WeakPolarHBondContact O-CD2 3.21Å
192	D	96.4	Very high	91.1	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	48.3	-171.1	-78.2	-2.6	0	0	0	113	K180 K194 L215 P216 T218 M343	K180-D192 VanDerWaalsContact CB-OD1 3.29Å; K180-D192 WeakPolarHBondContact CB-OD1 3.29Å; K180-D192 WeakPolarHBondContact CE-OD1 3.33Å; K180-D192 PolarHBondContact N-OD1 3.04Å; K180-D192 VanDerWaalsContact NZ-CG 3.33Å; K180-D192 IonicContact NZ-OD1 3.85Å; K180-D192 PolarHBondContact NZ-OD1 2.89Å; K180-D192 IonicContact NZ-OD2 2.66Å; K180-D192 PolarHBondContact NZ-OD2 2.85Å; K180-D192 PolarHBondContact O-N 3.44Å; D192-K194 PolarHBondContact O-N 3.43Å; D192-L215 HydrophobicContact CB-CD2 3.93Å; D192-P216 HydrophobicContact CB-CG 3.87Å; D192-T218 WeakPolarHBondContact OD2-CG2 3.28Å; D192-M343 HydrophobicContact CB-CE 4.01Å
193	C	96.2	Very high	91	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.02	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	15.2	-177.4	-63.1	0	0	0	0	116.5	L191 C295 D341 M343	L191-C193 PolarHBondContact O-N 3.39Å; C193-C295 WeakPolarHBondContact CA-SG 3.04Å; C193-C295 HydrophobicContact CB-CB 3.53Å; C193-C295 WeakPolarHBondContact CB-SG 3.34Å; C193-C295 WeakPolarHBondContact SG-CA 3.49Å; C193-C295 WeakPolarHBondContact SG-CB 3.44Å; C193-C295 CovalentContact SG-SG 2.04Å; C193-C295 PolarHBondContact SG-SG 2.81Å; C193-D341 HydrophobicContact CB-CB 4.12Å; C193-M343 HydrophobicContact CB-SD 3.97Å
194	K	95.9	Very high	91.1	Very high	58 Å²	58	17.8 Å²	17.8	25%	0.252	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.8	165.2	-53.7	-65.8	163.9	179	0	109.4	F190 L191 D192 L196 I211 D212 A214	F190-K194 CarbonylContact C-O 3.52Å; F190-K194 VanDerWaalsContact CA-O 3.25Å; F190-K194 WeakPolarHBondContact CA-O 3.48Å; L191-K194 PolarHBondContact N-O 3.45Å; L191-K194 WeakPolarHBondContact O-CB 3.4Å; L191-K194 PolarHBondContact O-N 3.25Å; D192-K194 PolarHBondContact O-N 3.43Å; K194-L196 PolarHBondContact O-N 2.94Å; K194-I211 HydrophobicContact CB-CB 4.1Å; K194-I211 HydrophobicContact CB-CD1 3.96Å; K194-I211 HydrophobicContact CB-CG1 4.44Å; K194-I211 HydrophobicContact CG-CD1 4.31Å; K194-D212 WeakPolarHBondContact CD-O 3.48Å; K194-A214 WeakPolarHBondContact CE-O 3.48Å
195	A	93.7	Very high	91.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.4	-179	0	0	0	0	0	109.7	M37 F190 L197 I211 D212	M37-A195 HydrophobicContact CE-CB 4.11Å; M37-A195 HydrophobicContact SD-CB 4.13Å; F190-A195 HydrophobicContact CD1-CB 3.99Å; F190-A195 HydrophobicContact CE1-CB 3.68Å; F190-A195 HydrophobicContact CZ-CB 4.39Å; A195-L197 HydrophobicContact CB-CD2 4.13Å; A195-L197 PolarHBondContact O-N 2.73Å; A195-I211 CarbonylContact O-C 3.47Å; A195-I211 VanDerWaalsContact O-CA 3.25Å; A195-I211 WeakPolarHBondContact O-CA 3.16Å; A195-D212 HydrophobicContact CB-CB 3.93Å; A195-D212 PolarHBondContact O-N 2.84Å
196	L	95.1	Very high	92.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	119.6	170.8	-172.1	58	0	0	0	108.5	W47 F165 T189 L191 K194 P199 H209 I211	W47-L196 HydrophobicContact CB-CG 4.42Å; W47-L196 VanDerWaalsContact CB-O 3.3Å; W47-L196 WeakPolarHBondContact CB-O 3.39Å; W47-L196 HydrophobicContact CD2-CD2 4.27Å; W47-L196 HydrophobicContact CE3-CD2 3.65Å; W47-L196 HydrophobicContact CE3-CG 4.37Å; W47-L196 HydrophobicContact CZ3-CD2 4Å; W47-L196 PolarHBondContact N-O 3.24Å; F165-L196 HydrophobicContact CD2-CD2 3.75Å; F165-L196 HydrophobicContact CE2-CD2 3.7Å; T189-L196 HydrophobicContact CG2-CD2 4.22Å; T189-L196 WeakPolarHBondContact O-CB 3.42Å; T189-L196 PolarHBondContact O-N 3.27Å; L191-L196 HydrophobicContact CD1-CD1 4.18Å; K194-L196 PolarHBondContact O-N 2.94Å; L196-P199 HydrophobicContact CD1-CB 4.1Å; L196-P199 HydrophobicContact CD2-CB 3.96Å; L196-P199 HydrophobicContact CD2-CG 4.34Å; L196-P199 HydrophobicContact CG-CB 4.09Å; L196-P199 HydrophobicContact CG-CG 4.39Å; L196-H209 HydrophobicContact CD1-CB 4.02Å; L196-I211 HydrophobicContact CD1-CG2 4Å
197	L	93	Very high	92.8	Very high	11 Å²	11	10 Å²	10	6%	0.058	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-48.1	-172.6	-59.4	-175.2	0	0	0	111.9	Y34 T44 L45 Q132 A195 R210 D212	Y34-L197 WeakPolarHBondContact CE1-O 3.21Å; T44-L197 HydrophobicContact CG2-CD1 4.25Å; T44-L197 HydrophobicContact CG2-CD2 3.56Å; L45-L197 VanDerWaalsContact O-CD2 3.28Å; L45-L197 WeakPolarHBondContact O-CD2 3.36Å; Q132-L197 HydrophobicContact CB-CD1 4.16Å; Q132-L197 VanDerWaalsContact OE1-CD1 3.3Å; A195-L197 HydrophobicContact CB-CD2 4.13Å; A195-L197 PolarHBondContact O-N 2.73Å; L197-R210 PolarHBondContact N-O 3.1Å; L197-D212 HydrophobicContact CD1-CB 3.88Å; L197-D212 HydrophobicContact CD2-CB 4.04Å; L197-D212 HydrophobicContact CG-CB 4.05Å
198	S	91.1	Very high	93.3	Very high	39 Å²	39	9.7 Å²	9.7	27%	0.273	5%	0.053	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	101.3	-179.8	-171.5	0	0	0	0	109.8	H201 R210	S198-H201 PolarHBondContact OG-NE2 3.09Å; S198-R210 PolarHBondContact N-O 3.5Å; S198-R210 VanDerWaalsContact N-O 3.13Å; S198-R210 PolarHBondContact O-N 2.7Å
199	P	92.6	Very high	93.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	167	-175	33.2	-31.5	0	0	0	114.7	W47 P70 G71 L196 H209	W47-P199 HydrophobicContact CB-CG 4.43Å; W47-P199 HydrophobicContact CD2-CG 4.1Å; W47-P199 HydrophobicContact CG-CG 3.84Å; P70-P199 WeakPolarHBondContact CA-O 3.48Å; P70-P199 HydrophobicContact CB-CG 3.9Å; P70-P199 HydrophobicContact CG-CG 3.76Å; G71-P199 PolarHBondContact N-O 2.87Å; L196-P199 HydrophobicContact CD1-CB 4.1Å; L196-P199 HydrophobicContact CD2-CB 3.96Å; L196-P199 HydrophobicContact CD2-CG 4.34Å; L196-P199 HydrophobicContact CG-CB 4.09Å; L196-P199 HydrophobicContact CG-CG 4.39Å; P199-H209 WeakPolarHBondContact CA-ND1 3.48Å; P199-H209 WeakPolarHBondContact CB-ND1 3.49Å
200	D	91.8	Very high	93.7	Very high	16 Å²	16	11 Å²	11	9%	0.086	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65	38.5	166.9	-56.3	-36.7	0	0	0	116	P70 G71 Y161 S162 E202 L207 H209	P70-D200 HydrophobicContact CB-CB 3.89Å; P70-D200 VanDerWaalsContact CB-OD2 3.28Å; P70-D200 WeakPolarHBondContact CB-OD2 3Å; G71-D200 WeakPolarHBondContact CA-O 3.03Å; Y161-D200 WeakPolarHBondContact CA-OD1 3.4Å; Y161-D200 HydrophobicContact CD1-CB 4.39Å; S162-D200 PolarHBondContact N-OD1 2.8Å; S162-D200 PolarHBondContact N-OD2 3.17Å; S162-D200 PolarHBondContact OG-OD2 3.27Å; D200-E202 PolarHBondContact O-N 3.32Å; D200-L207 HydrophobicContact CB-CD1 4.38Å; D200-H209 PolarHBondContact N-CE1 3.21Å; D200-H209 VanDerWaalsContact N-CE1 3.35Å; D200-H209 PolarHBondContact N-ND1 3.07Å; D200-H209 IonicContact OD1-CE1 3.36Å; D200-H209 PolarHBondContact OD1-CE1 3.32Å; D200-H209 IonicContact OD1-NE2 2.66Å
201	H	90.5	Very high	93.8	Very high	15 Å²	15	11 Å²	11	7%	0.069	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	108.7	172.8	-71.8	-98.3	0	0	0	110.3	E73 Q99 S198 L207 I208	E73-H201 IonicContact OE1-CE1 2.77Å; E73-H201 PolarHBondContact OE1-CE1 3.41Å; E73-H201 IonicContact OE1-ND1 3.1Å; E73-H201 PolarHBondContact OE1-ND1 3.03Å; Q99-H201 PolarHBondContact NE2-ND1 2.91Å; S198-H201 PolarHBondContact OG-NE2 3.09Å; H201-L207 CarbonylContact O-C 3.48Å; H201-L207 WeakPolarHBondContact O-CA 3.25Å; H201-I208 HydrophobicContact CB-CB 3.85Å; H201-I208 WeakPolarHBondContact CB-O 3.46Å; H201-I208 PolarHBondContact N-O 3.08Å; H201-I208 PolarHBondContact O-N 2.77Å
202	E	90.4	Very high	93.6	Very high	34 Å²	34	12.6 Å²	12.6	16%	0.159	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.2	-176.2	-73	-78.7	-169.7	0	0	112.4	R87 S88 Q95 R159 Y161 D200 L207	R87-E202 HydrophobicContact CB-CB 4.45Å; R87-E202 HydrophobicContact CG-CB 4.16Å; R87-E202 HydrophobicContact CG-CG 4.4Å; S88-E202 PolarHBondContact N-O 2.81Å; S88-E202 PolarHBondContact OG-O 2.9Å; Q95-E202 PolarHBondContact NE2-O 2.83Å; Q95-E202 PolarHBondContact OE1-O 3.07Å; Q95-E202 VanDerWaalsContact OE1-O 3.04Å; R159-E202 IonicContact CZ-OE2 2.75Å; R159-E202 IonicContact NH1-OE2 2.82Å; R159-E202 PolarHBondContact NH1-OE2 2.85Å; R159-E202 IonicContact NH2-OE2 3.27Å; Y161-E202 WeakPolarHBondContact CE1-OE1 3.33Å; Y161-E202 VanDerWaalsContact CZ-OE1 3.29Å; Y161-E202 PolarHBondContact OH-OE1 2.9Å; D200-E202 PolarHBondContact O-N 3.32Å; E202-L207 HydrophobicContact CG-CD1 4.41Å
203	A	91	Very high	93.4	Very high	1 Å²	1	13 Å²	13	1%	0.008	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	162	171.6	0	0	0	0	0	111.1	I92 Q95 R159 N205 G206	I92-A203 HydrophobicContact CG1-CB 3.69Å; Q95-A203 VanDerWaalsContact OE1-CB 3.28Å; R159-A203 PolarHBondContact NH2-O 2.79Å; A203-N205 VanDerWaalsContact C-N 3.26Å; A203-N205 PolarHBondContact O-N 3.3Å; A203-G206 CarbonylContact C-O 3.58Å; A203-G206 WeakPolarHBondContact CA-O 3.28Å; A203-G206 PolarHBondContact N-O 3.28Å; A203-G206 PolarHBondContact O-N 2.83Å
204	S	91	Very high	93.4	Very high	25 Å²	25	13 Å²	13	18%	0.175	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.2	-176.5	70.4	0	0	0	0	113	S88 Q90 N120	S88-S204 PolarHBondContact O-N 2.95Å; S88-S204 VanDerWaalsContact O-N 3.12Å; Q90-S204 PolarHBondContact O-N 3.42Å; Q90-S204 PolarHBondContact O-OG 3.34Å; N120-S204 PolarHBondContact OD1-OG 2.99Å
205	N	93.2	Very high	93.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	13.1	-178.8	64.6	-10.4	0	0	0	113.6	P91 I92 D116 L117 S119 V125 Y126 A203	P91-N205 WeakPolarHBondContact CA-OD1 3.49Å; I92-N205 WeakPolarHBondContact CG1-OD1 3.41Å; I92-N205 PolarHBondContact N-OD1 3.04Å; D116-N205 PolarHBondContact O-ND2 2.81Å; L117-N205 VanDerWaalsContact CA-ND2 3.33Å; L117-N205 WeakPolarHBondContact CA-ND2 3.32Å; L117-N205 PolarHBondContact O-ND2 3.47Å; S119-N205 PolarHBondContact O-ND2 2.83Å; V125-N205 WeakPolarHBondContact CA-O 3.48Å; Y126-N205 PolarHBondContact N-O 3.05Å; Y126-N205 VanDerWaalsContact N-O 3.08Å; A203-N205 VanDerWaalsContact C-N 3.26Å; A203-N205 PolarHBondContact O-N 3.3Å
206	G	93.7	Very high	93.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-155.7	179.3	0	0	0	0	0	116.8	Y126 R159 A203	Y126-G206 CarbonylContact O-C 3.55Å; Y126-G206 WeakPolarHBondContact O-CA 3.34Å; R159-G206 PolarHBondContact NH1-O 3.37Å; R159-G206 PolarHBondContact NH2-O 2.84Å; A203-G206 CarbonylContact C-O 3.58Å; A203-G206 WeakPolarHBondContact CA-O 3.28Å; A203-G206 PolarHBondContact N-O 3.28Å; A203-G206 PolarHBondContact O-N 2.83Å
207	L	93.9	Very high	93.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.1	-172	-166.8	71	0	0	0	110	Y126 T127 V128 W160 Y161 D200 H201 E202 H209	Y126-L207 PolarHBondContact O-N 3.34Å; T127-L207 CarbonylContact C-O 3.41Å; T127-L207 VanDerWaalsContact CA-O 3.29Å; T127-L207 WeakPolarHBondContact CA-O 3.39Å; T127-L207 HydrophobicContact CG2-CB 4.22Å; T127-L207 HydrophobicContact CG2-CD2 4.35Å; V128-L207 PolarHBondContact N-O 2.87Å; W160-L207 VanDerWaalsContact O-CD2 3.31Å; W160-L207 WeakPolarHBondContact O-CD2 3.36Å; Y161-L207 HydrophobicContact CD1-CD1 4.24Å; Y161-L207 HydrophobicContact CD1-CD2 3.95Å; Y161-L207 HydrophobicContact CE1-CD1 3.85Å; Y161-L207 HydrophobicContact CE1-CD2 4.22Å; Y161-L207 HydrophobicContact CG-CD2 4.31Å; D200-L207 HydrophobicContact CB-CD1 4.38Å; H201-L207 CarbonylContact O-C 3.48Å; H201-L207 WeakPolarHBondContact O-CA 3.25Å; E202-L207 HydrophobicContact CG-CD1 4.41Å; L207-H209 WeakPolarHBondContact CD2-NE2 3.4Å
208	I	95.4	Very high	93.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.2	175.6	-55.4	163	0	0	0	108.9	I92 Q95 L96 V128 V130 H201	I92-I208 HydrophobicContact CG1-CG1 4.17Å; I92-I208 HydrophobicContact CG2-CD1 4.24Å; I92-I208 HydrophobicContact CG2-CG1 4.1Å; Q95-I208 HydrophobicContact CB-CD1 4.21Å; Q95-I208 HydrophobicContact CG-CD1 4.01Å; L96-I208 HydrophobicContact CD2-CD1 4.11Å; L96-I208 HydrophobicContact CD2-CG2 4.13Å; L96-I208 HydrophobicContact CG-CD1 4.04Å; V128-I208 HydrophobicContact CG2-CB 4.01Å; V128-I208 HydrophobicContact CG2-CG1 3.59Å; V128-I208 HydrophobicContact CG2-CG2 4.05Å; V130-I208 HydrophobicContact CG2-CG2 3.76Å; H201-I208 HydrophobicContact CB-CB 3.85Å; H201-I208 WeakPolarHBondContact CB-O 3.46Å; H201-I208 PolarHBondContact N-O 3.08Å; H201-I208 PolarHBondContact O-N 2.77Å
209	H	96.2	Very high	93.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.1	168	-71.6	-72.2	0	0	0	109.7	T127 V128 F129 V130 W160 F165 L196 P199 D200 L207	T127-H209 VanDerWaalsContact CG2-CD2 3.44Å; T127-H209 WeakPolarHBondContact CG2-CD2 3.38Å; V128-H209 PolarHBondContact O-N 3.48Å; F129-H209 HydrophobicContact CD1-CB 3.72Å; F129-H209 AromaticContact CD1-CD2 3.87Å; F129-H209 HydrophobicContact CE1-CB 4.17Å; F129-H209 AromaticContact CE1-CD2 3.44Å; F129-H209 VanDerWaalsContact CE1-CD2 3.44Å; F129-H209 WeakPolarHBondContact CE1-CD2 3.43Å; V130-H209 PolarHBondContact N-O 2.73Å; W160-H209 PolarHBondContact O-NE2 2.82Å; F165-H209 AromaticContact CZ-NE2 3.76Å; L196-H209 HydrophobicContact CD1-CB 4.02Å; P199-H209 WeakPolarHBondContact CA-ND1 3.48Å; P199-H209 WeakPolarHBondContact CB-ND1 3.49Å; D200-H209 PolarHBondContact N-CE1 3.21Å; D200-H209 VanDerWaalsContact N-CE1 3.35Å; D200-H209 PolarHBondContact N-ND1 3.07Å; D200-H209 IonicContact OD1-CE1 3.36Å; D200-H209 PolarHBondContact OD1-CE1 3.32Å; D200-H209 IonicContact OD1-NE2 2.66Å; L207-H209 WeakPolarHBondContact CD2-NE2 3.4Å
210	R	95.4	Very high	93.7	Very high	27 Å²	27	15.4 Å²	15.4	10%	0.102	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.6	173.7	-64.7	-172.8	170.1	-93.9	2.2	111.4	S101 V130 Q132 L197 S198	S101-R210 PolarHBondContact OG-NH1 3.16Å; S101-R210 PolarHBondContact OG-NH2 3.06Å; S101-R210 VanDerWaalsContact OG-NH2 3.13Å; V130-R210 HydrophobicContact CG2-CG 4.11Å; V130-R210 VanDerWaalsContact O-CA 3.3Å; V130-R210 WeakPolarHBondContact O-CA 3.42Å; Q132-R210 PolarHBondContact O-NH1 3.1Å; L197-R210 PolarHBondContact N-O 3.1Å; S198-R210 PolarHBondContact N-O 3.5Å; S198-R210 VanDerWaalsContact N-O 3.13Å; S198-R210 PolarHBondContact O-N 2.7Å
211	I	95.9	Very high	94	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	161.8	-176.3	54.7	168.7	0	0	0	112.5	F129 V130 P131 Q132 L191 K194 A195 L196 G213 L215	F129-I211 HydrophobicContact CB-CD1 4.43Å; V130-I211 WeakPolarHBondContact O-CG1 3.4Å; V130-I211 PolarHBondContact O-N 2.85Å; P131-I211 WeakPolarHBondContact CA-O 3.39Å; Q132-I211 PolarHBondContact N-O 3.31Å; L191-I211 HydrophobicContact CD1-CG2 3.79Å; K194-I211 HydrophobicContact CB-CB 4.1Å; K194-I211 HydrophobicContact CB-CD1 3.96Å; K194-I211 HydrophobicContact CB-CG1 4.44Å; K194-I211 HydrophobicContact CG-CD1 4.31Å; A195-I211 CarbonylContact O-C 3.47Å; A195-I211 VanDerWaalsContact O-CA 3.25Å; A195-I211 WeakPolarHBondContact O-CA 3.16Å; L196-I211 HydrophobicContact CD1-CG2 4Å; I211-G213 VanDerWaalsContact C-N 3.27Å; I211-G213 VanDerWaalsContact CD1-O 3.26Å; I211-G213 WeakPolarHBondContact CD1-O 3.47Å; I211-G213 WeakPolarHBondContact CG1-O 3.31Å; I211-G213 PolarHBondContact O-N 2.89Å; I211-L215 HydrophobicContact CD1-CD1 4.49Å; I211-L215 HydrophobicContact CD1-CD2 3.88Å; I211-L215 HydrophobicContact CD1-CG 3.66Å
212	D	92.6	Very high	94.2	Very high	35 Å²	35	19.1 Å²	19.1	19%	0.187	10%	0.097	C	C	.	.	S	Bend	trans	-76.8	70.1	-179.1	-169.2	26.1	0	0	0	112.5	K40 K194 A195 L197	K40-D212 VanDerWaalsContact CE-OD2 3.29Å; K40-D212 WeakPolarHBondContact CE-OD2 3.17Å; K40-D212 IonicContact NZ-OD2 3.21Å; K40-D212 PolarHBondContact NZ-OD2 3.21Å; K194-D212 WeakPolarHBondContact CD-O 3.48Å; A195-D212 HydrophobicContact CB-CB 3.93Å; A195-D212 PolarHBondContact O-N 2.84Å; L197-D212 HydrophobicContact CD1-CB 3.88Å; L197-D212 HydrophobicContact CD2-CB 4.04Å; L197-D212 HydrophobicContact CG-CB 4.05Å
213	G	93.6	Very high	94.6	Very high	9 Å²	9	17.7 Å²	17.7	9%	0.093	9%	0.091	C	C	.	.	S	Bend	trans	96.6	166.8	-178.1	0	0	0	0	0	113.5	I211	I211-G213 VanDerWaalsContact C-N 3.27Å; I211-G213 VanDerWaalsContact CD1-O 3.26Å; I211-G213 WeakPolarHBondContact CD1-O 3.47Å; I211-G213 WeakPolarHBondContact CG1-O 3.31Å; I211-G213 PolarHBondContact O-N 2.89Å
214	A	95.6	Very high	94.9	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.033	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-67.7	148.2	-173.5	0	0	0	0	0	112.3	P131 D136 I142 Y144 K194	P131-A214 HydrophobicContact CG-CB 4.26Å; D136-A214 WeakPolarHBondContact O-CB 3.35Å; I142-A214 HydrophobicContact CD1-CB 3.91Å; Y144-A214 HydrophobicContact CE2-CB 4.18Å; K194-A214 WeakPolarHBondContact CE-O 3.48Å
215	L	96.6	Very high	95.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-60.6	134	173.6	-74.3	169.2	0	0	0	109.9	F129 Y144 T153 M154 I179 L191 D192 I211	F129-L215 HydrophobicContact CB-CD1 3.71Å; F129-L215 HydrophobicContact CG-CD1 4.41Å; Y144-L215 WeakPolarHBondContact CE2-O 3.42Å; Y144-L215 PolarHBondContact OH-O 2.7Å; T153-L215 HydrophobicContact CG2-CB 4.21Å; T153-L215 WeakPolarHBondContact O-CD1 3.49Å; M154-L215 HydrophobicContact CG-CD1 4.47Å; I179-L215 HydrophobicContact CD1-CD1 3.54Å; I179-L215 HydrophobicContact CG1-CD1 3.86Å; I179-L215 HydrophobicContact CG2-CD2 4.33Å; L191-L215 HydrophobicContact CB-CD2 4.17Å; L191-L215 WeakPolarHBondContact O-CD2 3.21Å; D192-L215 HydrophobicContact CB-CD2 3.93Å; I211-L215 HydrophobicContact CD1-CD1 4.49Å; I211-L215 HydrophobicContact CD1-CD2 3.88Å; I211-L215 HydrophobicContact CD1-CG 3.66Å
216	P	95.2	Very high	95.5	Very high	12 Å²	12	22.1 Å²	22.1	8%	0.078	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-69.3	151.6	-179.9	24.2	-26.6	0	0	0	111.3	D192 T218 M343	D192-P216 HydrophobicContact CB-CG 3.87Å; P216-T218 HydrophobicContact CG-CG2 4.28Å; P216-T218 PolarHBondContact O-N 3.01Å; P216-M343 HydrophobicContact CB-CB 3.89Å; P216-M343 HydrophobicContact CB-CG 4.23Å; P216-M343 HydrophobicContact CG-CB 3.48Å; P216-M343 VanDerWaalsContact CG-CB 3.48Å; P216-M343 HydrophobicContact CG-CG 3.46Å; P216-M343 VanDerWaalsContact CG-CG 3.46Å
217	P	93.4	Very high	95.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.108	C	C	.	.			trans	-81.2	64.9	-172.6	34.3	-34.8	0	0	0	111	E141 I142 Y219 K220	E141-P217 HydrophobicContact CG-CG 3.88Å; I142-P217 HydrophobicContact CG1-CG 4.45Å; P217-Y219 HydrophobicContact CB-CD1 4.1Å; P217-Y219 HydrophobicContact CB-CE1 3.42Å; P217-Y219 VanDerWaalsContact CB-CE1 3.42Å; P217-Y219 PolarHBondContact O-N 2.83Å; P217-K220 HydrophobicContact CB-CD 4.05Å; P217-K220 HydrophobicContact CB-CG 4.25Å; P217-K220 HydrophobicContact CG-CD 4.08Å; P217-K220 WeakPolarHBondContact O-CB 3.38Å; P217-K220 PolarHBondContact O-N 3Å
218	T	95	Very high	96	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-61.8	-18.3	-174.8	56.6	0	0	0	0	113.4	D192 P216 K220 Y221 M343 S344	D192-T218 WeakPolarHBondContact OD2-CG2 3.28Å; P216-T218 HydrophobicContact CG-CG2 4.28Å; P216-T218 PolarHBondContact O-N 3.01Å; T218-K220 PolarHBondContact O-N 3.42Å; T218-Y221 CarbonylContact O-C 3.59Å; T218-Y221 PolarHBondContact O-N 3.3Å; T218-Y221 VanDerWaalsContact O-O 3.05Å; T218-M343 HydrophobicContact CG2-CB 3.85Å; T218-S344 WeakPolarHBondContact CG2-O 3.46Å
219	Y	93.6	Very high	96.1	Very high	49 Å²	49	26.3 Å²	26.3	19%	0.192	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-61.8	-25.3	172.1	65	-94.4	0	0	0	113.2	A150 T153 K175 T177 P217 Y221	A150-Y219 HydrophobicContact CB-CE1 4.13Å; A150-Y219 VanDerWaalsContact CB-OH 3.26Å; A150-Y219 WeakPolarHBondContact CB-OH 3.35Å; T153-Y219 WeakPolarHBondContact OG1-CD1 3.5Å; T153-Y219 WeakPolarHBondContact OG1-CE1 3.5Å; K175-Y219 HydrophobicContact CG-CD1 3.89Å; K175-Y219 HydrophobicContact CG-CG 4.03Å; T177-Y219 VanDerWaalsContact CG2-CA 3.47Å; T177-Y219 VanDerWaalsContact CG2-CB 3.48Å; P217-Y219 HydrophobicContact CB-CD1 4.1Å; P217-Y219 HydrophobicContact CB-CE1 3.42Å; P217-Y219 VanDerWaalsContact CB-CE1 3.42Å; P217-Y219 PolarHBondContact O-N 2.83Å; Y219-Y221 VanDerWaalsContact C-N 3.28Å
220	K	94.7	Very high	96.1	Very high	96 Å²	96	28.9 Å²	28.9	42%	0.417	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-73	-23.5	174.3	-61.9	-177.6	-177.7	174.6	0	112.1	E141 P217 T218	E141-K220 PolarHBondContact O-NZ 3.37Å; P217-K220 HydrophobicContact CB-CD 4.05Å; P217-K220 HydrophobicContact CB-CG 4.25Å; P217-K220 HydrophobicContact CG-CD 4.08Å; P217-K220 WeakPolarHBondContact O-CB 3.38Å; P217-K220 PolarHBondContact O-N 3Å; T218-K220 PolarHBondContact O-N 3.42Å
221	Y	96.6	Very high	96.2	Very high	44 Å²	44	28.7 Å²	28.7	17%	0.173	15%	0.151	C	C	.	.			trans	-135.6	80.7	-174.5	-45.4	-70.3	0	0	0	110.5	T218 Y219 T223 R227 A230 S344 G345	T218-Y221 CarbonylContact O-C 3.59Å; T218-Y221 PolarHBondContact O-N 3.3Å; T218-Y221 VanDerWaalsContact O-O 3.05Å; Y219-Y221 VanDerWaalsContact C-N 3.28Å; Y221-T223 PolarHBondContact O-N 3.49Å; Y221-R227 HydrophobicContact CD1-CB 4.36Å; Y221-R227 HydrophobicContact CG-CB 4.05Å; Y221-R227 HydrophobicContact CG-CG 4.4Å; Y221-A230 HydrophobicContact CD1-CB 4.01Å; Y221-A230 HydrophobicContact CE1-CB 3.4Å; Y221-A230 VanDerWaalsContact CE1-CB 3.4Å; Y221-S344 CarbonylContact O-C 3.5Å; Y221-S344 WeakPolarHBondContact O-CA 3.49Å; Y221-S344 WeakPolarHBondContact O-CB 3.14Å; Y221-G345 PolarHBondContact O-N 3.37Å
222	P	95.9	Very high	96.3	Very high	64 Å²	64	33.4 Å²	33.4	42%	0.416	18%	0.184	S	C	.	.	S	Bend	trans	-58.2	-25.8	-176.1	-25.9	34.9	0	0	0	113.8	P252 G345	P222-P252 HydrophobicContact CB-CB 4.38Å; P222-G345 VanDerWaalsContact O-CA 3.3Å; P222-G345 WeakPolarHBondContact O-CA 3.43Å
223	T	98	Very high	96.5	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.025	19%	0.189	C	C	.	.	S	Bend	trans	-133	157.8	-177.3	78.5	0	0	0	0	111.6	Y221 L225 K226 R227 L249 D250 P252 S344 T346	Y221-T223 PolarHBondContact O-N 3.49Å; T223-L225 VanDerWaalsContact C-N 3.26Å; T223-L225 PolarHBondContact O-N 3.29Å; T223-L225 PolarHBondContact OG1-N 3.44Å; T223-K226 PolarHBondContact O-N 3.08Å; T223-K226 VanDerWaalsContact OG1-CG 3.31Å; T223-K226 WeakPolarHBondContact OG1-CG 3.26Å; T223-K226 PolarHBondContact OG1-N 3.44Å; T223-R227 PolarHBondContact O-N 3.42Å; T223-L249 VanDerWaalsContact CB-O 3.28Å; T223-L249 WeakPolarHBondContact CB-O 3.44Å; T223-L249 PolarHBondContact OG1-O 3.48Å; T223-D250 PolarHBondContact OG1-OD1 2.87Å; T223-P252 HydrophobicContact CG2-CB 3.96Å; T223-S344 WeakPolarHBondContact O-CB 3.33Å; T223-T346 WeakPolarHBondContact CA-OG1 3.27Å
224	V	98.3	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.7	-40.6	172.5	172.5	0	0	0	0	110.9	K226 R227 L228 L249 V260 S344 T346 I349	V224-K226 PolarHBondContact O-N 3.01Å; V224-R227 PolarHBondContact O-N 3.48Å; V224-L228 HydrophobicContact CG1-CD1 4.07Å; V224-L228 HydrophobicContact CG1-CG 4.36Å; V224-L228 WeakPolarHBondContact O-CG 3.47Å; V224-L228 PolarHBondContact O-N 3.28Å; V224-L249 HydrophobicContact CB-CB 4.38Å; V224-L249 HydrophobicContact CB-CD2 4.2Å; V224-L249 HydrophobicContact CG1-CD1 4.41Å; V224-L249 HydrophobicContact CG1-CD2 4.06Å; V224-L249 PolarHBondContact N-O 2.97Å; V224-V260 HydrophobicContact CG1-CB 4.4Å; V224-V260 HydrophobicContact CG1-CG2 3.62Å; V224-S344 WeakPolarHBondContact CA-OG 3.49Å; V224-S344 WeakPolarHBondContact CG2-OG 3.47Å; V224-S344 PolarHBondContact N-OG 2.95Å; V224-T346 PolarHBondContact N-OG1 2.95Å; V224-T346 VanDerWaalsContact N-OG1 3.12Å; V224-I349 HydrophobicContact CG1-CD1 4.14Å; V224-I349 HydrophobicContact CG1-CG1 4.03Å
225	L	98.6	Very high	96.9	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-40.9	178.8	-173	63.5	0	0	0	112.1	T223 R227 L228 N229 V238 K246 L249 D250	T223-L225 VanDerWaalsContact C-N 3.26Å; T223-L225 PolarHBondContact O-N 3.29Å; T223-L225 PolarHBondContact OG1-N 3.44Å; L225-R227 VanDerWaalsContact C-N 3.32Å; L225-R227 PolarHBondContact O-N 2.85Å; L225-L228 PolarHBondContact O-N 2.72Å; L225-N229 WeakPolarHBondContact O-CB 3.41Å; L225-N229 PolarHBondContact O-N 3.47Å; L225-N229 PolarHBondContact O-ND2 3.01Å; L225-V238 HydrophobicContact CD1-CG1 3.85Å; L225-K246 HydrophobicContact CD1-CG 4.46Å; L225-K246 HydrophobicContact CD2-CB 4.26Å; L225-L249 HydrophobicContact CB-CB 4.1Å; L225-L249 WeakPolarHBondContact CB-O 3.28Å; L225-L249 PolarHBondContact N-O 3.45Å; L225-D250 HydrophobicContact CB-CB 3.92Å; L225-D250 HydrophobicContact CD2-CB 3.66Å; L225-D250 HydrophobicContact CG-CB 4.39Å
226	K	98.3	Very high	96.9	Very high	103 Å²	103	37 Å²	37	45%	0.448	20%	0.204	S	C	.	.	H	α-helix	trans	-63	-39	174	-64.6	-60	174.6	-170.1	0	111.7	T223 V224 N229 A230 D250	T223-K226 PolarHBondContact O-N 3.08Å; T223-K226 VanDerWaalsContact OG1-CG 3.31Å; T223-K226 WeakPolarHBondContact OG1-CG 3.26Å; T223-K226 PolarHBondContact OG1-N 3.44Å; V224-K226 PolarHBondContact O-N 3.01Å; K226-N229 PolarHBondContact O-N 3.41Å; K226-A230 PolarHBondContact O-N 2.64Å; K226-A230 VanDerWaalsContact O-N 3.16Å; K226-D250 WeakPolarHBondContact CE-OD1 3.43Å; K226-D250 IonicContact NZ-OD2 2.67Å
227	R	97.9	Very high	97.1	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.011	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-45.4	174.9	-179.9	55	-173.4	-124.9	17.2	111.8	E141 Y221 T223 V224 L225 N229 A230 E231 I349	E141-R227 IonicContact OE1-CZ 3.52Å; E141-R227 IonicContact OE1-NH1 3.58Å; E141-R227 PolarHBondContact OE1-NH1 3.12Å; E141-R227 IonicContact OE1-NH2 3.92Å; E141-R227 IonicContact OE2-CZ 2.79Å; E141-R227 IonicContact OE2-NH1 3.54Å; E141-R227 IonicContact OE2-NH2 3.6Å; E141-R227 PolarHBondContact OE2-NH2 2.99Å; E141-R227 VanDerWaalsContact OE2-NH2 3.1Å; Y221-R227 HydrophobicContact CD1-CB 4.36Å; Y221-R227 HydrophobicContact CG-CB 4.05Å; Y221-R227 HydrophobicContact CG-CG 4.4Å; T223-R227 PolarHBondContact O-N 3.42Å; V224-R227 PolarHBondContact O-N 3.48Å; L225-R227 VanDerWaalsContact C-N 3.32Å; L225-R227 PolarHBondContact O-N 2.85Å; R227-N229 VanDerWaalsContact C-N 3.31Å; R227-N229 PolarHBondContact O-N 2.91Å; R227-A230 WeakPolarHBondContact O-CB 3.4Å; R227-A230 PolarHBondContact O-N 3.4Å; R227-E231 IonicContact CZ-OE1 2.7Å; R227-E231 IonicContact NE-OE1 2.78Å; R227-E231 PolarHBondContact NE-OE1 3.07Å; R227-E231 IonicContact NH2-OE1 3.58Å; R227-E231 PolarHBondContact NH2-OE1 3.23Å; R227-I349 HydrophobicContact CB-CD1 3.57Å; R227-I349 HydrophobicContact CG-CD1 3.32Å
228	L	98.6	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-43.6	176.4	-76.1	170.1	0	0	0	112	V224 L225 A230 E231 L234 V238 L241 L249 V260 A262 I349	V224-L228 HydrophobicContact CG1-CD1 4.07Å; V224-L228 HydrophobicContact CG1-CG 4.36Å; V224-L228 WeakPolarHBondContact O-CG 3.47Å; V224-L228 PolarHBondContact O-N 3.28Å; L225-L228 PolarHBondContact O-N 2.72Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 PolarHBondContact O-N 3.17Å; L228-E231 PolarHBondContact O-N 3.39Å; L228-L234 HydrophobicContact CD2-CD1 3.98Å; L228-V238 HydrophobicContact CB-CG2 3.68Å; L228-V238 HydrophobicContact CD1-CG2 4.33Å; L228-V238 HydrophobicContact CD2-CG2 4.4Å; L228-V238 HydrophobicContact CG-CG2 4.36Å; L228-L241 HydrophobicContact CD1-CD1 4.1Å; L228-L249 HydrophobicContact CD1-CD1 4.42Å; L228-V260 HydrophobicContact CD1-CG1 4.23Å; L228-V260 HydrophobicContact CD2-CG1 4.13Å; L228-A262 HydrophobicContact CD2-CB 3.86Å; L228-I349 HydrophobicContact CB-CD1 4.45Å; L228-I349 HydrophobicContact CD2-CD1 3.74Å; L228-I349 HydrophobicContact CD2-CG1 3.82Å; L228-I349 HydrophobicContact CD2-CG2 3.98Å; L228-I349 HydrophobicContact CG-CD1 3.63Å; L228-I349 HydrophobicContact CG-CG1 4.06Å
229	N	98.2	Very high	97.4	Very high	85 Å²	85	43.5 Å²	43.5	46%	0.455	23%	0.234	S	C	.	.	H	α-helix	trans	-69.5	-22.3	179.8	-74.9	-41	0	0	0	114.1	L225 K226 R227	L225-N229 WeakPolarHBondContact O-CB 3.41Å; L225-N229 PolarHBondContact O-N 3.47Å; L225-N229 PolarHBondContact O-ND2 3.01Å; K226-N229 PolarHBondContact O-N 3.41Å; R227-N229 VanDerWaalsContact C-N 3.31Å; R227-N229 PolarHBondContact O-N 2.91Å
230	A	97.1	Very high	97.6	Very high	55 Å²	55	42 Å²	42	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-74.7	-17.1	175.3	0	0	0	0	0	112.8	Y221 K226 R227 L228	Y221-A230 HydrophobicContact CD1-CB 4.01Å; Y221-A230 HydrophobicContact CE1-CB 3.4Å; Y221-A230 VanDerWaalsContact CE1-CB 3.4Å; K226-A230 PolarHBondContact O-N 2.64Å; K226-A230 VanDerWaalsContact O-N 3.16Å; R227-A230 WeakPolarHBondContact O-CB 3.4Å; R227-A230 PolarHBondContact O-N 3.4Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 PolarHBondContact O-N 3.17Å
231	E	97.1	Very high	97.8	Very high	23 Å²	23	37.5 Å²	37.5	11%	0.107	21%	0.211	C	C	.	.			trans	-95.4	99.4	178.3	-56	-74.1	167.9	0	0	108.9	R227 L228 D233 L234 R339	R227-E231 IonicContact CZ-OE1 2.7Å; R227-E231 IonicContact NE-OE1 2.78Å; R227-E231 PolarHBondContact NE-OE1 3.07Å; R227-E231 IonicContact NH2-OE1 3.58Å; R227-E231 PolarHBondContact NH2-OE1 3.23Å; L228-E231 PolarHBondContact O-N 3.39Å; E231-D233 PolarHBondContact O-N 3.26Å; E231-D233 VanDerWaalsContact O-N 3.08Å; E231-L234 HydrophobicContact CB-CB 4.28Å; E231-L234 HydrophobicContact CB-CD1 3.58Å; E231-L234 HydrophobicContact CB-CG 3.74Å; E231-L234 HydrophobicContact CG-CD1 3.97Å; E231-L234 PolarHBondContact O-N 3.12Å; E231-R339 VanDerWaalsContact CD-NH2 3.32Å; E231-R339 IonicContact OE1-NH2 3.2Å; E231-R339 PolarHBondContact OE1-NH2 3.44Å; E231-R339 IonicContact OE2-CZ 3.85Å; E231-R339 VanDerWaalsContact OE2-CZ 3.29Å; E231-R339 IonicContact OE2-NH1 3.34Å; E231-R339 PolarHBondContact OE2-NH1 3.34Å; E231-R339 IonicContact OE2-NH2 2.9Å; E231-R339 PolarHBondContact OE2-NH2 3.28Å
232	S	97.1	Very high	97.8	Very high	99 Å²	99	35.5 Å²	35.5	69%	0.692	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-59.4	-23.7	-175	56	0	0	0	0	114	L234 N265	S232-L234 VanDerWaalsContact C-N 3.3Å; S232-N265 PolarHBondContact O-ND2 2.96Å
233	D	97.8	Very high	97.9	Very high	55 Å²	55	39 Å²	39	29%	0.294	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-81.9	-0.5	177.6	63.7	-29.7	0	0	0	113.7	E231 P264 N265	E231-D233 PolarHBondContact O-N 3.26Å; E231-D233 VanDerWaalsContact O-N 3.08Å; D233-P264 CarbonylContact O-C 3.59Å; D233-P264 WeakPolarHBondContact O-CA 3.17Å; D233-N265 VanDerWaalsContact C-CG 3.41Å; D233-N265 WeakPolarHBondContact CA-ND2 3.23Å; D233-N265 PolarHBondContact O-N 2.66Å; D233-N265 PolarHBondContact O-ND2 3.47Å; D233-N265 PolarHBondContact O-OD1 3.2Å; D233-N265 VanDerWaalsContact O-OD1 3.12Å
234	L	98.5	Very high	97.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-110.5	-2.5	-179.1	-56.9	-176.2	0	0	0	114.6	L228 E231 S232 A236 F237 V238 A262 N265 I351	L228-L234 HydrophobicContact CD2-CD1 3.98Å; E231-L234 HydrophobicContact CB-CB 4.28Å; E231-L234 HydrophobicContact CB-CD1 3.58Å; E231-L234 HydrophobicContact CB-CG 3.74Å; E231-L234 HydrophobicContact CG-CD1 3.97Å; E231-L234 PolarHBondContact O-N 3.12Å; S232-L234 VanDerWaalsContact C-N 3.3Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 2.95Å; L234-A236 VanDerWaalsContact O-N 3.17Å; L234-F237 PolarHBondContact O-N 3.29Å; L234-F237 VanDerWaalsContact O-N 3.14Å; L234-V238 HydrophobicContact CB-CG2 4.43Å; L234-V238 WeakPolarHBondContact O-CG2 3.48Å; L234-V238 PolarHBondContact O-N 2.88Å; L234-A262 HydrophobicContact CD1-CB 3.66Å; L234-A262 HydrophobicContact CD2-CB 3.94Å; L234-A262 HydrophobicContact CG-CB 4.35Å; L234-N265 VanDerWaalsContact C-OD1 3.26Å; L234-I351 HydrophobicContact CD1-CD1 4.06Å; L234-I351 HydrophobicContact CD1-CG1 4.19Å; L234-I351 HydrophobicContact CD2-CD1 4.23Å; L234-I351 HydrophobicContact CD2-CG1 4.31Å; L234-I351 HydrophobicContact CD2-CG2 4.35Å; L234-I351 HydrophobicContact CG-CD1 4.46Å
235	T	98.4	Very high	97.8	Very high	59 Å²	59	41.6 Å²	41.6	36%	0.362	23%	0.228	S	C	.	.	H	α-helix	trans	-51.7	-40.7	-172.7	56.9	0	0	0	0	115.3	V238 Q239 N265	T235-V238 PolarHBondContact O-N 2.82Å; T235-Q239 WeakPolarHBondContact O-CB 2.78Å; T235-Q239 VanDerWaalsContact O-CG 3.26Å; T235-Q239 WeakPolarHBondContact O-CG 3.43Å; T235-Q239 PolarHBondContact O-N 3.5Å; T235-N265 PolarHBondContact N-OD1 2.84Å; T235-N265 PolarHBondContact OG1-ND2 2.77Å; T235-N265 VanDerWaalsContact OG1-ND2 3.16Å; T235-N265 PolarHBondContact OG1-OD1 2.68Å
236	A	97.6	Very high	97.8	Very high	8 Å²	8	42.5 Å²	42.5	7%	0.066	23%	0.231	C	C	.	.	H	α-helix	trans	-69.5	-39.2	-177.8	0	0	0	0	0	112.2	L234 S240 N265 N269	L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 2.95Å; L234-A236 VanDerWaalsContact O-N 3.17Å; A236-S240 PolarHBondContact O-N 3.37Å; A236-S240 PolarHBondContact O-OG 2.7Å; A236-N265 HydrophobicContact CB-CB 4.43Å; A236-N265 WeakPolarHBondContact CB-OD1 3.47Å; A236-N265 PolarHBondContact N-OD1 3.49Å; A236-N269 WeakPolarHBondContact CB-OD1 3.04Å
237	F	98.3	Very high	97.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-47.7	172.5	168.7	-99.7	0	0	0	110.4	L234 Q239 S240 L241 V260 A262 W268 H288	L234-F237 PolarHBondContact O-N 3.29Å; L234-F237 VanDerWaalsContact O-N 3.14Å; F237-Q239 VanDerWaalsContact C-N 3.29Å; F237-Q239 PolarHBondContact O-N 3.01Å; F237-S240 WeakPolarHBondContact O-CA 3.5Å; F237-S240 WeakPolarHBondContact O-CB 3.35Å; F237-S240 PolarHBondContact O-N 2.95Å; F237-L241 HydrophobicContact CE1-CD1 4.31Å; F237-L241 HydrophobicContact CE1-CD2 4.42Å; F237-L241 HydrophobicContact CE1-CG 4.41Å; F237-L241 HydrophobicContact CZ-CD2 4.13Å; F237-L241 PolarHBondContact O-N 2.78Å; F237-V260 HydrophobicContact CE1-CG1 3.68Å; F237-V260 HydrophobicContact CZ-CG1 3.94Å; F237-A262 HydrophobicContact CD1-CB 4.02Å; F237-A262 HydrophobicContact CE1-CB 4.03Å; F237-W268 HydrophobicContact CB-CD2 4.2Å; F237-W268 HydrophobicContact CB-CG 4.13Å; F237-W268 AromaticContact CD2-CD2 3.99Å; F237-W268 HydrophobicContact CD2-CD2 3.99Å; F237-W268 AromaticContact CD2-CE2 3.97Å; F237-W268 AromaticContact CD2-CE3 3.93Å; F237-W268 HydrophobicContact CD2-CE3 3.93Å; F237-W268 AromaticContact CD2-CH2 3.77Å; F237-W268 HydrophobicContact CD2-CH2 3.77Å; F237-W268 AromaticContact CD2-CZ2 3.88Å; F237-W268 HydrophobicContact CD2-CZ2 3.88Å; F237-W268 AromaticContact CD2-CZ3 3.81Å; F237-W268 HydrophobicContact CD2-CZ3 3.81Å; F237-W268 HydrophobicContact CE2-CH2 4.02Å; F237-W268 HydrophobicContact CE2-CZ2 4.43Å; F237-W268 HydrophobicContact CE2-CZ3 4.21Å; F237-H288 HydrophobicContact CE2-CB 3.69Å; F237-H288 AromaticContact CE2-CG 3.83Å; F237-H288 HydrophobicContact CZ-CB 3.69Å
238	V	98.4	Very high	97.7	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-40.1	178.8	178.3	0	0	0	0	111.7	L225 L228 L234 T235 S240 L241 K246	L225-V238 HydrophobicContact CD1-CG1 3.85Å; L228-V238 HydrophobicContact CB-CG2 3.68Å; L228-V238 HydrophobicContact CD1-CG2 4.33Å; L228-V238 HydrophobicContact CD2-CG2 4.4Å; L228-V238 HydrophobicContact CG-CG2 4.36Å; L234-V238 HydrophobicContact CB-CG2 4.43Å; L234-V238 WeakPolarHBondContact O-CG2 3.48Å; L234-V238 PolarHBondContact O-N 2.88Å; T235-V238 PolarHBondContact O-N 2.82Å; V238-S240 PolarHBondContact O-N 2.87Å; V238-L241 WeakPolarHBondContact O-CB 3.43Å; V238-L241 PolarHBondContact O-N 2.98Å; V238-K246 WeakPolarHBondContact O-CE 3.4Å; V238-K246 PolarHBondContact O-NZ 2.77Å
239	Q	97.2	Very high	97.7	Very high	144 Å²	144	48.9 Å²	48.9	67%	0.673	25%	0.254	S	S	*	.	H	α-helix	trans	-59.7	-36.4	175.1	-77.4	172.3	-0.2	0	0	112.3	T235 F237 L241 K246	T235-Q239 WeakPolarHBondContact O-CB 2.78Å; T235-Q239 VanDerWaalsContact O-CG 3.26Å; T235-Q239 WeakPolarHBondContact O-CG 3.43Å; T235-Q239 PolarHBondContact O-N 3.5Å; F237-Q239 VanDerWaalsContact C-N 3.29Å; F237-Q239 PolarHBondContact O-N 3.01Å; Q239-L241 VanDerWaalsContact C-N 3.3Å; Q239-L241 PolarHBondContact O-N 2.94Å; Q239-K246 PolarHBondContact O-NZ 2.85Å
240	S	97.4	Very high	97.7	Very high	18 Å²	18	47.4 Å²	47.4	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-76.9	-10.8	179.9	-55.8	0	0	0	0	114	A236 F237 V238 W268 A285	A236-S240 PolarHBondContact O-N 3.37Å; A236-S240 PolarHBondContact O-OG 2.7Å; F237-S240 WeakPolarHBondContact O-CA 3.5Å; F237-S240 WeakPolarHBondContact O-CB 3.35Å; F237-S240 PolarHBondContact O-N 2.95Å; V238-S240 PolarHBondContact O-N 2.87Å; S240-W268 PolarHBondContact OG-NE1 3.47Å; S240-A285 VanDerWaalsContact O-CB 3.31Å; S240-A285 WeakPolarHBondContact O-CB 3.3Å
241	L	98.2	Very high	97.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.243	C	C	.	.	S	Bend	trans	-65.7	131.6	172.1	-70	167.8	0	0	0	110	L228 F237 V238 Q239 I245 K246 L249 A285 V289	L228-L241 HydrophobicContact CD1-CD1 4.1Å; F237-L241 HydrophobicContact CE1-CD1 4.31Å; F237-L241 HydrophobicContact CE1-CD2 4.42Å; F237-L241 HydrophobicContact CE1-CG 4.41Å; F237-L241 HydrophobicContact CZ-CD2 4.13Å; F237-L241 PolarHBondContact O-N 2.78Å; V238-L241 WeakPolarHBondContact O-CB 3.43Å; V238-L241 PolarHBondContact O-N 2.98Å; Q239-L241 VanDerWaalsContact C-N 3.3Å; Q239-L241 PolarHBondContact O-N 2.94Å; L241-I245 HydrophobicContact CD2-CG2 4.16Å; L241-K246 HydrophobicContact CB-CG 3.88Å; L241-K246 WeakPolarHBondContact O-CE 3.28Å; L241-K246 PolarHBondContact O-NZ 3.3Å; L241-L249 HydrophobicContact CD1-CD1 4.12Å; L241-A285 HydrophobicContact CD2-CB 4.04Å; L241-V289 HydrophobicContact CD2-CG2 3.78Å
242	P	96.7	Very high	97.5	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.259	C	S	.	.			trans	-68	155.2	177	26.8	-32.8	0	0	0	111.3	D244 I245 K246 E282 R286	P242-D244 VanDerWaalsContact C-N 3.33Å; P242-D244 WeakPolarHBondContact CB-OD1 3.27Å; P242-D244 PolarHBondContact O-N 3.41Å; P242-I245 HydrophobicContact CG-CB 4Å; P242-I245 HydrophobicContact CG-CG1 3.67Å; P242-I245 PolarHBondContact O-N 3.46Å; P242-I245 VanDerWaalsContact O-N 3.08Å; P242-K246 PolarHBondContact O-N 3.11Å; P242-E282 HydrophobicContact CB-CB 3.94Å; P242-E282 HydrophobicContact CB-CG 3.75Å; P242-E282 HydrophobicContact CG-CB 4.17Å; P242-E282 HydrophobicContact CG-CG 4.39Å; P242-R286 HydrophobicContact CG-CG 4.03Å; P242-R286 VanDerWaalsContact CG-CZ 3.45Å; P242-R286 VanDerWaalsContact CG-NH2 3.31Å
243	Q	97.4	Very high	97.2	Very high	138 Å²	138	53 Å²	53	65%	0.645	26%	0.263	S	S	*	.	H	α-helix	trans	-62.8	-35.8	-171.2	-69.3	-61.5	-20.1	0	0	113.8	I245 K246 R247	Q243-I245 VanDerWaalsContact C-N 3.27Å; Q243-I245 PolarHBondContact O-N 3.22Å; Q243-K246 PolarHBondContact O-N 3.18Å; Q243-R247 WeakPolarHBondContact O-CB 3.31Å; Q243-R247 PolarHBondContact O-N 2.86Å
244	D	97.2	Very high	96.9	Very high	55 Å²	55	50.8 Å²	50.8	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-63.1	-36.4	176.1	64.2	-58.7	0	0	0	111.8	P242 K248 R286	P242-D244 VanDerWaalsContact C-N 3.33Å; P242-D244 WeakPolarHBondContact CB-OD1 3.27Å; P242-D244 PolarHBondContact O-N 3.41Å; D244-K248 WeakPolarHBondContact O-CG 3.44Å; D244-K248 PolarHBondContact O-N 2.98Å; D244-R286 IonicContact OD1-CZ 2.74Å; D244-R286 IonicContact OD1-NH1 3.33Å; D244-R286 IonicContact OD1-NH2 3.85Å; D244-R286 PolarHBondContact OD1-NH2 3Å; D244-R286 IonicContact OD2-CZ 2.9Å; D244-R286 IonicContact OD2-NH1 2.68Å; D244-R286 PolarHBondContact OD2-NH1 2.83Å; D244-R286 IonicContact OD2-NH2 3.75Å; D244-R286 PolarHBondContact OD2-NH2 3.48Å
245	I	97.7	Very high	96.5	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-76.8	-41.2	176.9	-60.5	-49.7	0	0	0	111.1	L241 P242 Q243 R247 K248 L249 R286 V289 L310	L241-I245 HydrophobicContact CD2-CG2 4.16Å; P242-I245 HydrophobicContact CG-CB 4Å; P242-I245 HydrophobicContact CG-CG1 3.67Å; P242-I245 PolarHBondContact O-N 3.46Å; P242-I245 VanDerWaalsContact O-N 3.08Å; Q243-I245 VanDerWaalsContact C-N 3.27Å; Q243-I245 PolarHBondContact O-N 3.22Å; I245-R247 VanDerWaalsContact C-N 3.28Å; I245-R247 PolarHBondContact O-N 2.82Å; I245-K248 HydrophobicContact CD1-CD 4.26Å; I245-K248 PolarHBondContact O-N 2.86Å; I245-L249 HydrophobicContact CG2-CD1 3.83Å; I245-L249 HydrophobicContact CG2-CG 4.1Å; I245-L249 WeakPolarHBondContact O-CB 3.33Å; I245-L249 VanDerWaalsContact O-CG 3.28Å; I245-L249 WeakPolarHBondContact O-CG 3.39Å; I245-L249 PolarHBondContact O-N 3.49Å; I245-R286 HydrophobicContact CG1-CG 4.45Å; I245-V289 HydrophobicContact CG2-CG1 4.3Å; I245-V289 HydrophobicContact CG2-CG2 4.16Å; I245-L310 HydrophobicContact CD1-CB 4.48Å; I245-L310 HydrophobicContact CD1-CD1 3.36Å; I245-L310 HydrophobicContact CG1-CD1 4.26Å; I245-L310 HydrophobicContact CG2-CD1 4.33Å
246	K	98.4	Very high	96.1	Very high	36 Å²	36	59.9 Å²	59.9	16%	0.157	29%	0.293	C	S	.	.	H	α-helix	trans	-55	-46	173	-75.9	174.5	172.8	143.7	0	111.4	L225 V238 Q239 L241 P242 Q243 L249 D250	L225-K246 HydrophobicContact CD1-CG 4.46Å; L225-K246 HydrophobicContact CD2-CB 4.26Å; V238-K246 WeakPolarHBondContact O-CE 3.4Å; V238-K246 PolarHBondContact O-NZ 2.77Å; Q239-K246 PolarHBondContact O-NZ 2.85Å; L241-K246 HydrophobicContact CB-CG 3.88Å; L241-K246 WeakPolarHBondContact O-CE 3.28Å; L241-K246 PolarHBondContact O-NZ 3.3Å; P242-K246 PolarHBondContact O-N 3.11Å; Q243-K246 PolarHBondContact O-N 3.18Å; K246-L249 PolarHBondContact O-N 3.28Å; K246-D250 WeakPolarHBondContact O-CB 3.49Å; K246-D250 PolarHBondContact O-N 3.19Å; K246-D250 VanDerWaalsContact O-N 3.08Å
247	R	97.8	Very high	96	Very high	165 Å²	165	60.4 Å²	60.4	62%	0.623	29%	0.294	S	S	*	.	H	α-helix	trans	-57.3	-53	176.2	-176.3	179.7	64.3	-161.3	-3.5	111.4	Q243 I245 L249 D250 E251	Q243-R247 WeakPolarHBondContact O-CB 3.31Å; Q243-R247 PolarHBondContact O-N 2.86Å; I245-R247 VanDerWaalsContact C-N 3.28Å; I245-R247 PolarHBondContact O-N 2.82Å; R247-L249 VanDerWaalsContact C-N 3.27Å; R247-L249 PolarHBondContact O-N 3.36Å; R247-D250 PolarHBondContact O-N 2.81Å; R247-E251 WeakPolarHBondContact O-CG 3.33Å; R247-E251 PolarHBondContact O-N 3.21Å
248	K	97.1	Very high	96	Very high	75 Å²	75	60.6 Å²	60.6	33%	0.326	30%	0.295	S	S	.	.	H	α-helix	trans	-55.9	-40.5	177.7	-76.2	-177.5	178.6	-169.4	0	113	D244 I245 D250 Y258	D244-K248 WeakPolarHBondContact O-CG 3.44Å; D244-K248 PolarHBondContact O-N 2.98Å; I245-K248 HydrophobicContact CD1-CD 4.26Å; I245-K248 PolarHBondContact O-N 2.86Å; K248-D250 VanDerWaalsContact C-N 3.28Å; K248-D250 PolarHBondContact O-N 3.33Å; K248-Y258 HydrophobicContact CB-CE1 4.47Å; K248-Y258 WeakPolarHBondContact O-CE2 3.02Å
249	L	98.4	Very high	95.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-77.2	-10.5	-179.7	-64.9	-178.7	0	0	0	113.7	T223 V224 L225 L228 L241 I245 K246 R247 Y258 V260 V289	T223-L249 VanDerWaalsContact CB-O 3.28Å; T223-L249 WeakPolarHBondContact CB-O 3.44Å; T223-L249 PolarHBondContact OG1-O 3.48Å; V224-L249 HydrophobicContact CB-CB 4.38Å; V224-L249 HydrophobicContact CB-CD2 4.2Å; V224-L249 HydrophobicContact CG1-CD1 4.41Å; V224-L249 HydrophobicContact CG1-CD2 4.06Å; V224-L249 PolarHBondContact N-O 2.97Å; L225-L249 HydrophobicContact CB-CB 4.1Å; L225-L249 WeakPolarHBondContact CB-O 3.28Å; L225-L249 PolarHBondContact N-O 3.45Å; L228-L249 HydrophobicContact CD1-CD1 4.42Å; L241-L249 HydrophobicContact CD1-CD1 4.12Å; I245-L249 HydrophobicContact CG2-CD1 3.83Å; I245-L249 HydrophobicContact CG2-CG 4.1Å; I245-L249 WeakPolarHBondContact O-CB 3.33Å; I245-L249 VanDerWaalsContact O-CG 3.28Å; I245-L249 WeakPolarHBondContact O-CG 3.39Å; I245-L249 PolarHBondContact O-N 3.49Å; K246-L249 PolarHBondContact O-N 3.28Å; R247-L249 VanDerWaalsContact C-N 3.27Å; R247-L249 PolarHBondContact O-N 3.36Å; L249-Y258 HydrophobicContact CD2-CD1 3.74Å; L249-Y258 HydrophobicContact CD2-CD2 3.78Å; L249-Y258 HydrophobicContact CD2-CE1 4.34Å; L249-Y258 HydrophobicContact CD2-CE2 4.37Å; L249-Y258 HydrophobicContact CD2-CG 3.42Å; L249-Y258 VanDerWaalsContact CD2-CG 3.42Å; L249-V260 HydrophobicContact CD1-CG2 4.06Å; L249-V260 HydrophobicContact CD2-CG2 4.28Å; L249-V289 HydrophobicContact CD1-CG1 4.44Å; L249-V289 HydrophobicContact CD2-CG1 4.18Å
250	D	98.2	Very high	96	Very high	54 Å²	54	53.4 Å²	53.4	29%	0.289	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	14.7	179	-149.5	29.5	0	0	0	113.7	T223 L225 K226 K246 R247 K248 P252	T223-D250 PolarHBondContact OG1-OD1 2.87Å; L225-D250 HydrophobicContact CB-CB 3.92Å; L225-D250 HydrophobicContact CD2-CB 3.66Å; L225-D250 HydrophobicContact CG-CB 4.39Å; K226-D250 WeakPolarHBondContact CE-OD1 3.43Å; K226-D250 IonicContact NZ-OD2 2.67Å; K246-D250 WeakPolarHBondContact O-CB 3.49Å; K246-D250 PolarHBondContact O-N 3.19Å; K246-D250 VanDerWaalsContact O-N 3.08Å; R247-D250 PolarHBondContact O-N 2.81Å; K248-D250 VanDerWaalsContact C-N 3.28Å; K248-D250 PolarHBondContact O-N 3.33Å; D250-P252 WeakPolarHBondContact O-CD 3.45Å
251	E	96.8	Very high	96.1	Very high	82 Å²	82	52.6 Å²	52.6	38%	0.383	26%	0.255	S	S	.	.			trans	-89.9	101.5	175.7	-76.3	168.6	-157.3	0	0	110.6	R247 D253 S254 T346	R247-E251 WeakPolarHBondContact O-CG 3.33Å; R247-E251 PolarHBondContact O-N 3.21Å; E251-D253 PolarHBondContact O-N 2.82Å; E251-S254 WeakPolarHBondContact O-CB 3.3Å; E251-S254 PolarHBondContact O-N 3.19Å; E251-T346 WeakPolarHBondContact O-CG2 3.37Å
252	P	93.9	Very high	96.1	Very high	69 Å²	69	52.6 Å²	52.6	45%	0.448	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.3	-176.5	26	-35	0	0	0	113.5	P222 T223 D250 T346	P222-P252 HydrophobicContact CB-CB 4.38Å; T223-P252 HydrophobicContact CG2-CB 3.96Å; D250-P252 WeakPolarHBondContact O-CD 3.45Å; P252-T346 WeakPolarHBondContact O-CG2 3.49Å
253	D	90.8	Very high	96.2	Very high	143 Å²	143	52.5 Å²	52.5	77%	0.765	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	13.8	-178.4	-58.4	-49	0	0	0	113.1	E251 I255	E251-D253 PolarHBondContact O-N 2.82Å; D253-I255 PolarHBondContact O-N 2.93Å
254	S	91.5	Very high	96.2	Very high	9 Å²	9	46.4 Å²	46.4	6%	0.063	23%	0.227	C	C	.	.			trans	-53.3	133.6	-179.5	177.7	0	0	0	0	112.1	K170 E251 E256	K170-S254 PolarHBondContact NZ-O 2.88Å; E251-S254 WeakPolarHBondContact O-CB 3.3Å; E251-S254 PolarHBondContact O-N 3.19Å; S254-E256 WeakPolarHBondContact CB-O 3.27Å; S254-E256 PolarHBondContact OG-N 3.22Å; S254-E256 VanDerWaalsContact OG-N 3.14Å; S254-E256 PolarHBondContact OG-O 3.03Å
255	I	88.9	Confident	96.3	Very high	159 Å²	159	45.5 Å²	45.5	82%	0.815	22%	0.222	S	C	*	.	S	Bend	trans	-75.9	-34.2	170.7	-54.5	171.5	0	0	0	109.5	D253	D253-I255 PolarHBondContact O-N 2.93Å
256	E	91.2	Very high	96.3	Very high	90 Å²	90	50.9 Å²	50.9	42%	0.421	25%	0.25	S	S	.	.	S	Bend	trans	-77	145.5	173.5	-60	-165	160.1	0	0	110.8	S254 Y258	S254-E256 WeakPolarHBondContact CB-O 3.27Å; S254-E256 PolarHBondContact OG-N 3.22Å; S254-E256 VanDerWaalsContact OG-N 3.14Å; S254-E256 PolarHBondContact OG-O 3.03Å; E256-Y258 HydrophobicContact CB-CE2 4.39Å
257	W	94.5	Very high	96.3	Very high	19 Å²	19	51.2 Å²	51.2	7%	0.072	25%	0.254	C	S	.	.			trans	-112.3	150.5	169.4	-59.2	-25.6	0	0	0	110.5	G168 Q169 K170 K180 V181 T182 N291 K292 M293 T346	G168-W257 WeakPolarHBondContact O-CH2 3.49Å; G168-W257 WeakPolarHBondContact O-CZ2 3.15Å; Q169-W257 WeakPolarHBondContact O-CH2 3.34Å; K170-W257 HydrophobicContact CG-CZ2 3.88Å; K180-W257 HydrophobicContact CB-CD2 4.46Å; K180-W257 HydrophobicContact CB-CE3 4.38Å; K180-W257 HydrophobicContact CB-CH2 3.57Å; K180-W257 HydrophobicContact CB-CZ2 3.69Å; K180-W257 HydrophobicContact CB-CZ3 3.95Å; K180-W257 HydrophobicContact CD-CD2 4.29Å; K180-W257 HydrophobicContact CD-CZ2 4.38Å; K180-W257 HydrophobicContact CG-CD2 4.33Å; K180-W257 HydrophobicContact CG-CH2 4.03Å; K180-W257 HydrophobicContact CG-CZ2 3.58Å; V181-W257 WeakPolarHBondContact O-CH2 3.41Å; V181-W257 WeakPolarHBondContact O-CZ3 3.47Å; T182-W257 HydrophobicContact CG2-CE3 4.08Å; T182-W257 HydrophobicContact CG2-CZ3 3.7Å; W257-N291 CarbonylContact O-C 3.53Å; W257-K292 CarbonylContact O-C 3.48Å; W257-K292 WeakPolarHBondContact O-CA 3.41Å; W257-K292 PolarHBondContact O-N 3.41Å; W257-M293 HydrophobicContact CB-CB 3.93Å; W257-M293 HydrophobicContact CE3-CB 4.06Å; W257-M293 HydrophobicContact CE3-CE 3.9Å; W257-M293 HydrophobicContact CE3-SD 4.4Å; W257-M293 HydrophobicContact CZ3-CE 4.02Å; W257-T346 VanDerWaalsContact CA-O 3.27Å; W257-T346 WeakPolarHBondContact CA-O 3.15Å
258	Y	97.6	Very high	96.3	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.02	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.6	-172.9	-55.5	-86.2	0	0	0	112.9	K248 L249 E256 M290 N291 K292 T346 G347 V348	K248-Y258 HydrophobicContact CB-CE1 4.47Å; K248-Y258 WeakPolarHBondContact O-CE2 3.02Å; L249-Y258 HydrophobicContact CD2-CD1 3.74Å; L249-Y258 HydrophobicContact CD2-CD2 3.78Å; L249-Y258 HydrophobicContact CD2-CE1 4.34Å; L249-Y258 HydrophobicContact CD2-CE2 4.37Å; L249-Y258 HydrophobicContact CD2-CG 3.42Å; L249-Y258 VanDerWaalsContact CD2-CG 3.42Å; E256-Y258 HydrophobicContact CB-CE2 4.39Å; Y258-M290 VanDerWaalsContact CA-O 3.27Å; Y258-M290 WeakPolarHBondContact CA-O 3.42Å; Y258-N291 HydrophobicContact CD1-CB 4.45Å; Y258-N291 HydrophobicContact CE1-CB 4.33Å; Y258-K292 CarbonylContact C-O 3.54Å; Y258-T346 PolarHBondContact N-O 3.31Å; Y258-G347 CarbonylContact O-C 3.56Å; Y258-G347 WeakPolarHBondContact O-CA 3.49Å; Y258-V348 PolarHBondContact O-N 3.18Å
259	T	98.1	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.8	162.7	-61.8	0	0	0	0	107.9	F261 V289 M290 K292 M293 I294 V348	T259-F261 HydrophobicContact CG2-CD2 4.3Å; T259-F261 HydrophobicContact CG2-CE1 4.42Å; T259-F261 HydrophobicContact CG2-CE2 3.77Å; T259-F261 HydrophobicContact CG2-CZ 3.84Å; T259-V289 WeakPolarHBondContact O-CA 3.2Å; T259-M290 PolarHBondContact N-O 2.79Å; T259-M290 PolarHBondContact O-N 2.78Å; T259-K292 VanDerWaalsContact CB-O 3.28Å; T259-K292 WeakPolarHBondContact CB-O 3.5Å; T259-K292 PolarHBondContact N-O 2.97Å; T259-K292 PolarHBondContact OG1-O 2.99Å; T259-M293 WeakPolarHBondContact OG1-CA 3.12Å; T259-I294 HydrophobicContact CG2-CB 4.36Å; T259-I294 PolarHBondContact OG1-N 3.5Å; T259-V348 CarbonylContact C-O 3.52Å; T259-V348 WeakPolarHBondContact CA-O 3.24Å; T259-V348 HydrophobicContact CG2-CG1 4.08Å; T259-V348 WeakPolarHBondContact OG1-CG1 3.19Å
260	V	98.7	Very high	96.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.1	174	179.7	0	0	0	0	109.5	V224 L228 F237 L249 A262 H288 V289 V348 I349 H350	V224-V260 HydrophobicContact CG1-CB 4.4Å; V224-V260 HydrophobicContact CG1-CG2 3.62Å; L228-V260 HydrophobicContact CD1-CG1 4.23Å; L228-V260 HydrophobicContact CD2-CG1 4.13Å; F237-V260 HydrophobicContact CE1-CG1 3.68Å; F237-V260 HydrophobicContact CZ-CG1 3.94Å; L249-V260 HydrophobicContact CD1-CG2 4.06Å; L249-V260 HydrophobicContact CD2-CG2 4.28Å; V260-A262 HydrophobicContact CG1-CB 4.35Å; V260-A262 PolarHBondContact O-N 3.48Å; V260-H288 CarbonylContact C-O 3.54Å; V260-H288 WeakPolarHBondContact CA-O 3.39Å; V260-V289 HydrophobicContact CG2-CG1 4.18Å; V260-V289 HydrophobicContact CG2-CG2 4.26Å; V260-V348 PolarHBondContact N-O 3.32Å; V260-I349 HydrophobicContact CB-CG1 4.08Å; V260-I349 CarbonylContact O-C 3.58Å; V260-I349 VanDerWaalsContact O-CA 3.3Å; V260-I349 WeakPolarHBondContact O-CA 3.44Å; V260-H350 PolarHBondContact O-N 3.38Å
261	F	98.6	Very high	95.9	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	88.6	170.4	-63.9	-79.5	0	0	0	109	T259 H288 M290 I315 I317 I327 I337 H350 I352 I356	T259-F261 HydrophobicContact CG2-CD2 4.3Å; T259-F261 HydrophobicContact CG2-CE1 4.42Å; T259-F261 HydrophobicContact CG2-CE2 3.77Å; T259-F261 HydrophobicContact CG2-CZ 3.84Å; F261-H288 PolarHBondContact N-O 3.21Å; F261-H288 WeakPolarHBondContact O-CB 3.31Å; F261-H288 PolarHBondContact O-CD2 2.68Å; F261-M290 HydrophobicContact CE2-CE 3.89Å; F261-M290 HydrophobicContact CE2-SD 4.1Å; F261-I315 HydrophobicContact CD2-CD1 4.27Å; F261-I315 HydrophobicContact CE2-CD1 3.83Å; F261-I315 HydrophobicContact CZ-CD1 4.17Å; F261-I317 HydrophobicContact CE1-CD1 4.17Å; F261-I317 HydrophobicContact CZ-CD1 3.73Å; F261-I327 HydrophobicContact CD1-CD1 3.5Å; F261-I327 VanDerWaalsContact CD1-CD1 3.5Å; F261-I327 HydrophobicContact CE1-CD1 3.71Å; F261-I327 HydrophobicContact CG-CD1 4.08Å; F261-I327 HydrophobicContact CZ-CD1 4.45Å; F261-I337 HydrophobicContact CE1-CD1 4.28Å; F261-H350 CarbonylContact C-O 3.57Å; F261-H350 VanDerWaalsContact CA-O 3.26Å; F261-H350 WeakPolarHBondContact CA-O 3.26Å; F261-H350 HydrophobicContact CD1-CB 3.82Å; F261-H350 HydrophobicContact CE1-CB 4.11Å; F261-H350 AromaticContact CE1-CD2 3.85Å; F261-I352 HydrophobicContact CB-CD1 4Å; F261-I352 HydrophobicContact CB-CG2 4.23Å; F261-I352 HydrophobicContact CD1-CG2 3.97Å; F261-I356 HydrophobicContact CB-CD1 3.92Å; F261-I356 HydrophobicContact CD2-CD1 4.13Å; F261-I356 HydrophobicContact CG-CD1 4.12Å
262	A	98.7	Very high	95.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	147.5	-173.1	0	0	0	0	0	112.4	L228 L234 F237 V260 I349 H350 I351 I352	L228-A262 HydrophobicContact CD2-CB 3.86Å; L234-A262 HydrophobicContact CD1-CB 3.66Å; L234-A262 HydrophobicContact CD2-CB 3.94Å; L234-A262 HydrophobicContact CG-CB 4.35Å; F237-A262 HydrophobicContact CD1-CB 4.02Å; F237-A262 HydrophobicContact CE1-CB 4.03Å; V260-A262 HydrophobicContact CG1-CB 4.35Å; V260-A262 PolarHBondContact O-N 3.48Å; A262-I349 HydrophobicContact CB-CG2 3.83Å; A262-H350 PolarHBondContact N-O 2.81Å; A262-I351 WeakPolarHBondContact O-CA 3.45Å; A262-I352 WeakPolarHBondContact O-CG1 3.33Å; A262-I352 PolarHBondContact O-N 3.18Å
263	V	98.5	Very high	95.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.26	C	S	.	.			trans	-114.7	130.6	-176.9	-173.6	0	0	0	0	109.9	I267 W268 I352	V263-I267 HydrophobicContact CG1-CB 3.9Å; V263-I267 HydrophobicContact CG1-CG2 3.89Å; V263-W268 HydrophobicContact CB-CB 4.36Å; V263-W268 HydrophobicContact CB-CD2 4.45Å; V263-W268 HydrophobicContact CB-CE3 3.67Å; V263-W268 HydrophobicContact CB-CZ3 4.35Å; V263-W268 HydrophobicContact CG1-CB 4.14Å; V263-W268 HydrophobicContact CG1-CE3 3.99Å; V263-W268 HydrophobicContact CG2-CE3 3.76Å; V263-W268 HydrophobicContact CG2-CZ3 3.94Å; V263-I352 HydrophobicContact CG2-CD1 4.09Å; V263-I352 HydrophobicContact CG2-CG1 3.97Å
264	P	98.6	Very high	95.3	Very high	10 Å²	10	46.1 Å²	46.1	7%	0.065	26%	0.256	C	S	.	.			trans	-59.4	147.2	177.4	-27.2	36.3	0	0	0	113.9	D233 N266 I267 W268 I351 I352	D233-P264 CarbonylContact O-C 3.59Å; D233-P264 WeakPolarHBondContact O-CA 3.17Å; P264-N266 VanDerWaalsContact C-N 3.32Å; P264-N266 WeakPolarHBondContact CB-OD1 3.31Å; P264-N266 PolarHBondContact O-N 2.05Å; P264-I267 PolarHBondContact O-N 3.26Å; P264-W268 PolarHBondContact O-N 3.34Å; P264-I351 HydrophobicContact CG-CG2 3.75Å; P264-I352 WeakPolarHBondContact CD-O 3.5Å
265	N	98.4	Very high	95.1	Very high	35 Å²	35	47 Å²	47	19%	0.187	26%	0.26	C	S	.	.	H	α-helix	trans	-50.8	-47.2	-174.6	-71.9	-24.7	0	0	0	112.8	S232 D233 L234 T235 A236 I267 W268 N269	S232-N265 PolarHBondContact O-ND2 2.96Å; D233-N265 VanDerWaalsContact C-CG 3.41Å; D233-N265 WeakPolarHBondContact CA-ND2 3.23Å; D233-N265 PolarHBondContact O-N 2.66Å; D233-N265 PolarHBondContact O-ND2 3.47Å; D233-N265 PolarHBondContact O-OD1 3.2Å; D233-N265 VanDerWaalsContact O-OD1 3.12Å; L234-N265 VanDerWaalsContact C-OD1 3.26Å; T235-N265 PolarHBondContact N-OD1 2.84Å; T235-N265 PolarHBondContact OG1-ND2 2.77Å; T235-N265 VanDerWaalsContact OG1-ND2 3.16Å; T235-N265 PolarHBondContact OG1-OD1 2.68Å; A236-N265 HydrophobicContact CB-CB 4.43Å; A236-N265 WeakPolarHBondContact CB-OD1 3.47Å; A236-N265 PolarHBondContact N-OD1 3.49Å; N265-I267 VanDerWaalsContact C-N 3.26Å; N265-I267 PolarHBondContact O-N 3.22Å; N265-W268 PolarHBondContact O-N 2.88Å; N265-N269 WeakPolarHBondContact O-CB 3.47Å; N265-N269 PolarHBondContact O-N 2.91Å; N265-N269 PolarHBondContact O-ND2 2.71Å
266	N	97.8	Very high	94.6	Very high	116 Å²	116	45.9 Å²	45.9	62%	0.62	26%	0.26	S	S	*	.	H	α-helix	trans	-60.9	-36	-178.8	63.3	-32.3	0	0	0	112.3	P264	P264-N266 VanDerWaalsContact C-N 3.32Å; P264-N266 WeakPolarHBondContact CB-OD1 3.31Å; P264-N266 PolarHBondContact O-N 2.05Å
267	I	97.7	Very high	94.5	Very high	44 Å²	44	43.8 Å²	43.8	23%	0.226	26%	0.255	C	S	.	.	H	α-helix	trans	-81.1	-47.1	178.9	-54.2	-56.7	0	0	0	110.7	V263 P264 N265 N269 K270 I271	V263-I267 HydrophobicContact CG1-CB 3.9Å; V263-I267 HydrophobicContact CG1-CG2 3.89Å; P264-I267 PolarHBondContact O-N 3.26Å; N265-I267 VanDerWaalsContact C-N 3.26Å; N265-I267 PolarHBondContact O-N 3.22Å; I267-N269 PolarHBondContact O-N 3.36Å; I267-K270 WeakPolarHBondContact O-CB 3.17Å; I267-K270 PolarHBondContact O-N 3.2Å; I267-I271 HydrophobicContact CG2-CD1 3.7Å; I267-I271 VanDerWaalsContact O-CG1 3.32Å; I267-I271 WeakPolarHBondContact O-CG1 3.44Å; I267-I271 PolarHBondContact O-N 3.38Å; I267-I271 VanDerWaalsContact O-N 3.09Å
268	W	97.6	Very high	94.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-43.3	-179.3	-168.1	-103.6	0	0	0	112.3	F237 S240 V263 P264 N265 K270 I271 T272 L284 A285 H288	F237-W268 HydrophobicContact CB-CD2 4.2Å; F237-W268 HydrophobicContact CB-CG 4.13Å; F237-W268 AromaticContact CD2-CD2 3.99Å; F237-W268 HydrophobicContact CD2-CD2 3.99Å; F237-W268 AromaticContact CD2-CE2 3.97Å; F237-W268 AromaticContact CD2-CE3 3.93Å; F237-W268 HydrophobicContact CD2-CE3 3.93Å; F237-W268 AromaticContact CD2-CH2 3.77Å; F237-W268 HydrophobicContact CD2-CH2 3.77Å; F237-W268 AromaticContact CD2-CZ2 3.88Å; F237-W268 HydrophobicContact CD2-CZ2 3.88Å; F237-W268 AromaticContact CD2-CZ3 3.81Å; F237-W268 HydrophobicContact CD2-CZ3 3.81Å; F237-W268 HydrophobicContact CE2-CH2 4.02Å; F237-W268 HydrophobicContact CE2-CZ2 4.43Å; F237-W268 HydrophobicContact CE2-CZ3 4.21Å; S240-W268 PolarHBondContact OG-NE1 3.47Å; V263-W268 HydrophobicContact CB-CB 4.36Å; V263-W268 HydrophobicContact CB-CD2 4.45Å; V263-W268 HydrophobicContact CB-CE3 3.67Å; V263-W268 HydrophobicContact CB-CZ3 4.35Å; V263-W268 HydrophobicContact CG1-CB 4.14Å; V263-W268 HydrophobicContact CG1-CE3 3.99Å; V263-W268 HydrophobicContact CG2-CE3 3.76Å; V263-W268 HydrophobicContact CG2-CZ3 3.94Å; P264-W268 PolarHBondContact O-N 3.34Å; N265-W268 PolarHBondContact O-N 2.88Å; W268-K270 VanDerWaalsContact C-N 3.34Å; W268-K270 PolarHBondContact O-N 2.66Å; W268-I271 PolarHBondContact O-N 3.35Å; W268-T272 HydrophobicContact CD2-CG2 4.14Å; W268-T272 HydrophobicContact CG-CG2 4.38Å; W268-T272 HydrophobicContact CZ2-CG2 4.13Å; W268-T272 WeakPolarHBondContact O-CB 3.49Å; W268-T272 WeakPolarHBondContact O-CG2 3.05Å; W268-T272 PolarHBondContact O-N 2.83Å; W268-T272 PolarHBondContact O-OG1 3.45Å; W268-L284 HydrophobicContact CH2-CB 4.37Å; W268-L284 HydrophobicContact CH2-CD2 3.88Å; W268-L284 HydrophobicContact CH2-CG 3.69Å; W268-L284 HydrophobicContact CZ2-CD2 4.33Å; W268-L284 HydrophobicContact CZ2-CG 4.41Å; W268-L284 HydrophobicContact CZ3-CD2 4.24Å; W268-L284 HydrophobicContact CZ3-CG 4.24Å; W268-A285 HydrophobicContact CH2-CB 4.46Å; W268-A285 HydrophobicContact CZ2-CB 4.27Å; W268-H288 AromaticContact CZ3-CE1 3.7Å
269	N	97.2	Very high	93.9	Very high	87 Å²	87	51.9 Å²	51.9	47%	0.465	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-38.9	177.2	-72	-20.9	0	0	0	112.1	A236 N265 I267 I271 S273	A236-N269 WeakPolarHBondContact CB-OD1 3.04Å; N265-N269 WeakPolarHBondContact O-CB 3.47Å; N265-N269 PolarHBondContact O-N 2.91Å; N265-N269 PolarHBondContact O-ND2 2.71Å; I267-N269 PolarHBondContact O-N 3.36Å; N269-I271 VanDerWaalsContact C-N 3.33Å; N269-I271 PolarHBondContact O-N 2.58Å; N269-S273 VanDerWaalsContact O-CB 3.25Å; N269-S273 WeakPolarHBondContact O-CB 3.44Å; N269-S273 PolarHBondContact O-N 3.2Å
270	K	95.6	Very high	93.5	Very high	164 Å²	164	53 Å²	53	71%	0.713	31%	0.306	S	S	*	.	H	α-helix	trans	-61	-45.6	176.1	-177.2	179	178.6	179.2	0	110.9	I267 W268 S273	I267-K270 WeakPolarHBondContact O-CB 3.17Å; I267-K270 PolarHBondContact O-N 3.2Å; W268-K270 VanDerWaalsContact C-N 3.34Å; W268-K270 PolarHBondContact O-N 2.66Å; K270-S273 PolarHBondContact O-OG 3.38Å
271	I	92.3	Very high	93.3	Very high	57 Å²	57	55.7 Å²	55.7	29%	0.292	32%	0.318	S	S	.	.	H	α-helix	trans	-69.7	-40.4	-177.3	-65.6	167.6	0	0	0	111.4	I267 W268 N269 L284 N354 S355	I267-I271 HydrophobicContact CG2-CD1 3.7Å; I267-I271 VanDerWaalsContact O-CG1 3.32Å; I267-I271 WeakPolarHBondContact O-CG1 3.44Å; I267-I271 PolarHBondContact O-N 3.38Å; I267-I271 VanDerWaalsContact O-N 3.09Å; W268-I271 PolarHBondContact O-N 3.35Å; N269-I271 VanDerWaalsContact C-N 3.33Å; N269-I271 PolarHBondContact O-N 2.58Å; I271-L284 HydrophobicContact CG2-CD2 4.1Å; I271-N354 WeakPolarHBondContact CD1-OD1 3.45Å; I271-S355 VanDerWaalsContact CD1-CB 3.41Å
272	T	94.1	Very high	93.1	Very high	8 Å²	8	58.4 Å²	58.4	5%	0.049	33%	0.331	C	S	.	.	H	α-helix	trans	-92	-3.1	-174.7	59.8	0	0	0	0	114.4	W268 G274 I275 K281 L284	W268-T272 HydrophobicContact CD2-CG2 4.14Å; W268-T272 HydrophobicContact CG-CG2 4.38Å; W268-T272 HydrophobicContact CZ2-CG2 4.13Å; W268-T272 WeakPolarHBondContact O-CB 3.49Å; W268-T272 WeakPolarHBondContact O-CG2 3.05Å; W268-T272 PolarHBondContact O-N 2.83Å; W268-T272 PolarHBondContact O-OG1 3.45Å; T272-G274 VanDerWaalsContact C-N 3.29Å; T272-G274 PolarHBondContact O-N 3.41Å; T272-I275 HydrophobicContact CG2-CD1 4.46Å; T272-I275 PolarHBondContact O-N 2.74Å; T272-K281 HydrophobicContact CG2-CG 4.5Å; T272-L284 HydrophobicContact CG2-CD2 4.22Å
273	S	90.8	Very high	92.7	Very high	99 Å²	99	59 Å²	59	69%	0.692	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.6	-178.8	59.9	0	0	0	0	113.7	N269 K270	N269-S273 VanDerWaalsContact O-CB 3.25Å; N269-S273 WeakPolarHBondContact O-CB 3.44Å; N269-S273 PolarHBondContact O-N 3.2Å; K270-S273 PolarHBondContact O-OG 3.38Å
274	G	84.5	Confident	92.6	Very high	65 Å²	65	59.2 Å²	59.2	67%	0.67	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.8	177.1	0	0	0	0	0	114.7	T272 V276	T272-G274 VanDerWaalsContact C-N 3.29Å; T272-G274 PolarHBondContact O-N 3.41Å; G274-V276 PolarHBondContact O-N 3.27Å
275	I	87.1	Confident	92.5	Very high	27 Å²	27	58.7 Å²	58.7	14%	0.138	33%	0.333	C	S	.	.			trans	-90.8	108.4	-177.6	-55.4	178	0	0	0	107.7	T272 I280 K281 L284	T272-I275 HydrophobicContact CG2-CD1 4.46Å; T272-I275 PolarHBondContact O-N 2.74Å; I275-I280 HydrophobicContact CD1-CG2 4.2Å; I275-I280 HydrophobicContact CG2-CB 3.6Å; I275-I280 HydrophobicContact CG2-CD1 4.44Å; I275-I280 HydrophobicContact CG2-CG2 3.47Å; I275-I280 VanDerWaalsContact CG2-CG2 3.47Å; I275-K281 HydrophobicContact CB-CG 4.12Å; I275-K281 HydrophobicContact CG2-CG 3.65Å; I275-K281 WeakPolarHBondContact O-CE 3.14Å; I275-K281 PolarHBondContact O-NZ 3.44Å; I275-K281 VanDerWaalsContact O-NZ 3.07Å; I275-L284 HydrophobicContact CD1-CD2 4.28Å
276	V	79.6	Confident	92.5	Very high	136 Å²	136	59.9 Å²	59.9	82%	0.824	34%	0.335	S	S	*	.			trans	-85.3	-37.4	178.3	-178.7	0	0	0	0	111.3	G274 T278	G274-V276 PolarHBondContact O-N 3.27Å; V276-T278 PolarHBondContact O-N 3.3Å
277	S	87.6	Confident	92.4	Very high	46 Å²	46	54.4 Å²	54.4	32%	0.322	31%	0.305	S	S	.	.			trans	-70	123.5	-178.1	174.6	0	0	0	0	111.8	E279 I280 K281	S277-E279 VanDerWaalsContact C-N 3.29Å; S277-E279 PolarHBondContact O-N 3.41Å; S277-E279 PolarHBondContact OG-N 3.44Å; S277-I280 PolarHBondContact O-N 3.32Å; S277-K281 PolarHBondContact O-N 3.45Å
278	T	91.3	Very high	92.5	Very high	95 Å²	95	52.3 Å²	52.3	58%	0.583	30%	0.295	S	S	*	.	H	α-helix	trans	-57.9	-42.7	173.3	-55.4	0	0	0	0	111.5	V276 I280 K281 E282	V276-T278 PolarHBondContact O-N 3.3Å; T278-I280 VanDerWaalsContact C-N 3.28Å; T278-I280 PolarHBondContact O-N 3.3Å; T278-K281 WeakPolarHBondContact O-CB 3.4Å; T278-K281 PolarHBondContact O-N 3.37Å; T278-K281 VanDerWaalsContact O-N 3.11Å; T278-E282 HydrophobicContact CG2-CG 4.29Å; T278-E282 WeakPolarHBondContact O-CG 3.27Å; T278-E282 PolarHBondContact O-N 3.49Å
279	E	89	Confident	92.5	Very high	100 Å²	100	52.3 Å²	52.3	47%	0.467	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-39.3	-179.1	-173.9	-172.7	-179	0	0	112.2	S277 E282 S283 R397	S277-E279 VanDerWaalsContact C-N 3.29Å; S277-E279 PolarHBondContact O-N 3.41Å; S277-E279 PolarHBondContact OG-N 3.44Å; E279-E282 PolarHBondContact O-N 3.4Å; E279-S283 PolarHBondContact O-N 3.33Å; E279-R397 VanDerWaalsContact CD-NH1 3.26Å; E279-R397 VanDerWaalsContact CD-NH2 3.28Å; E279-R397 IonicContact OE1-CZ 3.37Å; E279-R397 IonicContact OE1-NH1 2.82Å; E279-R397 PolarHBondContact OE1-NH1 3Å; E279-R397 IonicContact OE1-NH2 3.49Å; E279-R397 PolarHBondContact OE1-NH2 3.34Å; E279-R397 IonicContact OE2-CZ 3.59Å; E279-R397 IonicContact OE2-NH1 3.32Å; E279-R397 PolarHBondContact OE2-NH1 2.89Å; E279-R397 IonicContact OE2-NH2 2.84Å; E279-R397 PolarHBondContact OE2-NH2 2.91Å
280	I	89.9	Confident	92.5	Very high	22 Å²	22	48.1 Å²	48.1	11%	0.113	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-43.3	177.4	-63.4	176.2	0	0	0	110.7	I275 S277 T278 E282 S283 L284 H498	I275-I280 HydrophobicContact CD1-CG2 4.2Å; I275-I280 HydrophobicContact CG2-CB 3.6Å; I275-I280 HydrophobicContact CG2-CD1 4.44Å; I275-I280 HydrophobicContact CG2-CG2 3.47Å; I275-I280 VanDerWaalsContact CG2-CG2 3.47Å; S277-I280 PolarHBondContact O-N 3.32Å; T278-I280 VanDerWaalsContact C-N 3.28Å; T278-I280 PolarHBondContact O-N 3.3Å; I280-E282 VanDerWaalsContact C-N 3.28Å; I280-E282 PolarHBondContact O-N 3.08Å; I280-S283 PolarHBondContact O-N 3.32Å; I280-L284 PolarHBondContact O-N 3.19Å; I280-H498 WeakPolarHBondContact CD1-CE1 3.38Å; I280-H498 VanDerWaalsContact CG1-CE1 3.41Å; I280-H498 WeakPolarHBondContact CG1-CE1 3.32Å
281	K	93.5	Very high	92.5	Very high	58 Å²	58	43.4 Å²	43.4	25%	0.252	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-39.8	176.1	-65.9	-174.4	-173.1	176.8	0	111.3	T272 I275 S277 T278 L284 A285	T272-K281 HydrophobicContact CG2-CG 4.5Å; I275-K281 HydrophobicContact CB-CG 4.12Å; I275-K281 HydrophobicContact CG2-CG 3.65Å; I275-K281 WeakPolarHBondContact O-CE 3.14Å; I275-K281 PolarHBondContact O-NZ 3.44Å; I275-K281 VanDerWaalsContact O-NZ 3.07Å; S277-K281 PolarHBondContact O-N 3.45Å; T278-K281 WeakPolarHBondContact O-CB 3.4Å; T278-K281 PolarHBondContact O-N 3.37Å; T278-K281 VanDerWaalsContact O-N 3.11Å; K281-L284 PolarHBondContact O-N 3.44Å; K281-A285 WeakPolarHBondContact O-CB 3.37Å; K281-A285 PolarHBondContact O-N 3.26Å
282	E	94.7	Very high	92.5	Very high	57 Å²	57	44.5 Å²	44.5	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-43.1	177.3	-72.8	-178.6	162.5	0	0	111.9	P242 T278 E279 I280 L284 A285 R286	P242-E282 HydrophobicContact CB-CB 3.94Å; P242-E282 HydrophobicContact CB-CG 3.75Å; P242-E282 HydrophobicContact CG-CB 4.17Å; P242-E282 HydrophobicContact CG-CG 4.39Å; T278-E282 HydrophobicContact CG2-CG 4.29Å; T278-E282 WeakPolarHBondContact O-CG 3.27Å; T278-E282 PolarHBondContact O-N 3.49Å; E279-E282 PolarHBondContact O-N 3.4Å; I280-E282 VanDerWaalsContact C-N 3.28Å; I280-E282 PolarHBondContact O-N 3.08Å; E282-L284 VanDerWaalsContact C-N 3.35Å; E282-L284 PolarHBondContact O-N 2.91Å; E282-A285 PolarHBondContact O-N 3.36Å; E282-R286 WeakPolarHBondContact O-CG 3.11Å; E282-R286 PolarHBondContact O-N 3.08Å
283	S	91.1	Very high	92.5	Very high	13 Å²	13	44.7 Å²	44.7	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-42.8	173.3	175.9	0	0	0	0	111.5	E279 I280 A285 R286 Q287 E360	E279-S283 PolarHBondContact O-N 3.33Å; I280-S283 PolarHBondContact O-N 3.32Å; S283-A285 VanDerWaalsContact C-N 3.32Å; S283-A285 PolarHBondContact O-N 3.07Å; S283-R286 WeakPolarHBondContact O-CB 3.41Å; S283-R286 PolarHBondContact O-N 3.25Å; S283-Q287 PolarHBondContact O-N 3.16Å; S283-E360 VanDerWaalsContact OG-CB 3.31Å; S283-E360 WeakPolarHBondContact OG-CB 3.19Å; S283-E360 PolarHBondContact OG-OE2 3.27Å
284	L	95.7	Very high	92.6	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-39.5	173.6	-175.1	62.2	0	0	0	111.8	W268 I271 T272 I275 I280 K281 E282 Q287 H288	W268-L284 HydrophobicContact CH2-CB 4.37Å; W268-L284 HydrophobicContact CH2-CD2 3.88Å; W268-L284 HydrophobicContact CH2-CG 3.69Å; W268-L284 HydrophobicContact CZ2-CD2 4.33Å; W268-L284 HydrophobicContact CZ2-CG 4.41Å; W268-L284 HydrophobicContact CZ3-CD2 4.24Å; W268-L284 HydrophobicContact CZ3-CG 4.24Å; I271-L284 HydrophobicContact CG2-CD2 4.1Å; T272-L284 HydrophobicContact CG2-CD2 4.22Å; I275-L284 HydrophobicContact CD1-CD2 4.28Å; I280-L284 PolarHBondContact O-N 3.19Å; K281-L284 PolarHBondContact O-N 3.44Å; E282-L284 VanDerWaalsContact C-N 3.35Å; E282-L284 PolarHBondContact O-N 2.91Å; L284-Q287 WeakPolarHBondContact O-CB 3.19Å; L284-Q287 PolarHBondContact O-N 2.94Å; L284-H288 PolarHBondContact O-CE1 3.13Å; L284-H288 PolarHBondContact O-ND1 3.02Å
285	A	97.6	Very high	93	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.4	-37.2	176.6	0	0	0	0	0	112.3	S240 L241 W268 K281 E282 S283 Q287 H288	S240-A285 VanDerWaalsContact O-CB 3.31Å; S240-A285 WeakPolarHBondContact O-CB 3.3Å; L241-A285 HydrophobicContact CD2-CB 4.04Å; W268-A285 HydrophobicContact CH2-CB 4.46Å; W268-A285 HydrophobicContact CZ2-CB 4.27Å; K281-A285 WeakPolarHBondContact O-CB 3.37Å; K281-A285 PolarHBondContact O-N 3.26Å; E282-A285 PolarHBondContact O-N 3.36Å; S283-A285 VanDerWaalsContact C-N 3.32Å; S283-A285 PolarHBondContact O-N 3.07Å; A285-Q287 PolarHBondContact O-N 2.89Å; A285-H288 WeakPolarHBondContact O-CB 3.21Å; A285-H288 PolarHBondContact O-N 3.12Å
286	R	97	Very high	93.3	Very high	59 Å²	59	36.5 Å²	36.5	22%	0.223	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-33.4	174.3	-74.2	178.1	-165.6	-73.2	-7.3	112.5	P242 D244 I245 E282 S283 H288 V289 L310 A311	P242-R286 HydrophobicContact CG-CG 4.03Å; P242-R286 VanDerWaalsContact CG-CZ 3.45Å; P242-R286 VanDerWaalsContact CG-NH2 3.31Å; D244-R286 IonicContact OD1-CZ 2.74Å; D244-R286 IonicContact OD1-NH1 3.33Å; D244-R286 IonicContact OD1-NH2 3.85Å; D244-R286 PolarHBondContact OD1-NH2 3Å; D244-R286 IonicContact OD2-CZ 2.9Å; D244-R286 IonicContact OD2-NH1 2.68Å; D244-R286 PolarHBondContact OD2-NH1 2.83Å; D244-R286 IonicContact OD2-NH2 3.75Å; D244-R286 PolarHBondContact OD2-NH2 3.48Å; I245-R286 HydrophobicContact CG1-CG 4.45Å; E282-R286 WeakPolarHBondContact O-CG 3.11Å; E282-R286 PolarHBondContact O-N 3.08Å; S283-R286 WeakPolarHBondContact O-CB 3.41Å; S283-R286 PolarHBondContact O-N 3.25Å; R286-H288 PolarHBondContact O-N 3.4Å; R286-H288 VanDerWaalsContact O-N 3.1Å; R286-V289 PolarHBondContact O-N 3.36Å; R286-L310 HydrophobicContact CB-CB 4.43Å; R286-L310 PolarHBondContact O-N 3.13Å; R286-A311 HydrophobicContact CB-CB 3.95Å
287	Q	97.1	Very high	93.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19	176.5	-178.4	59.2	3	0	0	113.6	S283 L284 A285 T309 A311 T313 I356	S283-Q287 PolarHBondContact O-N 3.16Å; L284-Q287 WeakPolarHBondContact O-CB 3.19Å; L284-Q287 PolarHBondContact O-N 2.94Å; A285-Q287 PolarHBondContact O-N 2.89Å; Q287-T309 WeakPolarHBondContact O-CG2 3.36Å; Q287-T309 PolarHBondContact OE1-OG1 2.83Å; Q287-A311 HydrophobicContact CB-CB 4.2Å; Q287-T313 PolarHBondContact NE2-OG1 3.33Å; Q287-T313 PolarHBondContact OE1-OG1 3.45Å; Q287-I356 HydrophobicContact CG-CB 4.08Å; Q287-I356 HydrophobicContact CG-CG2 3.59Å
288	H	98.3	Very high	93.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	0.7	-176.9	-65.5	75.7	0	0	0	113.6	F237 V260 F261 W268 L284 A285 R286 S355 I356	F237-H288 HydrophobicContact CE2-CB 3.69Å; F237-H288 AromaticContact CE2-CG 3.83Å; F237-H288 HydrophobicContact CZ-CB 3.69Å; V260-H288 CarbonylContact C-O 3.54Å; V260-H288 WeakPolarHBondContact CA-O 3.39Å; F261-H288 PolarHBondContact N-O 3.21Å; F261-H288 WeakPolarHBondContact O-CB 3.31Å; F261-H288 PolarHBondContact O-CD2 2.68Å; W268-H288 AromaticContact CZ3-CE1 3.7Å; L284-H288 PolarHBondContact O-CE1 3.13Å; L284-H288 PolarHBondContact O-ND1 3.02Å; A285-H288 WeakPolarHBondContact O-CB 3.21Å; A285-H288 PolarHBondContact O-N 3.12Å; R286-H288 PolarHBondContact O-N 3.4Å; R286-H288 VanDerWaalsContact O-N 3.1Å; H288-S355 PolarHBondContact CE1-OG 2.91Å; H288-S355 PolarHBondContact NE2-OG 3.23Å; H288-I356 PolarHBondContact CE1-O 3.22Å; H288-I356 PolarHBondContact NE2-N 3.32Å
289	V	98.5	Very high	93.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.2	-176.7	-171.4	0	0	0	0	109.9	L241 I245 L249 T259 V260 R286 T309 L310	L241-V289 HydrophobicContact CD2-CG2 3.78Å; I245-V289 HydrophobicContact CG2-CG1 4.3Å; I245-V289 HydrophobicContact CG2-CG2 4.16Å; L249-V289 HydrophobicContact CD1-CG1 4.44Å; L249-V289 HydrophobicContact CD2-CG1 4.18Å; T259-V289 WeakPolarHBondContact O-CA 3.2Å; V260-V289 HydrophobicContact CG2-CG1 4.18Å; V260-V289 HydrophobicContact CG2-CG2 4.26Å; R286-V289 PolarHBondContact O-N 3.36Å; V289-T309 CarbonylContact O-C 3.53Å; V289-T309 VanDerWaalsContact O-CA 3.27Å; V289-T309 WeakPolarHBondContact O-CA 3.39Å; V289-L310 HydrophobicContact CB-CB 4.45Å; V289-L310 HydrophobicContact CB-CD1 3.85Å; V289-L310 HydrophobicContact CB-CG 4.07Å; V289-L310 HydrophobicContact CG1-CD1 3.45Å; V289-L310 VanDerWaalsContact CG1-CD1 3.45Å; V289-L310 HydrophobicContact CG1-CG 4.02Å; V289-L310 PolarHBondContact O-N 3.32Å
290	M	97.4	Very high	92.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.9	173	-61.8	-179.7	-179	0	0	110.1	Y258 T259 F261 K292 I294 V306 T309 I315	Y258-M290 VanDerWaalsContact CA-O 3.27Å; Y258-M290 WeakPolarHBondContact CA-O 3.42Å; T259-M290 PolarHBondContact N-O 2.79Å; T259-M290 PolarHBondContact O-N 2.78Å; F261-M290 HydrophobicContact CE2-CE 3.89Å; F261-M290 HydrophobicContact CE2-SD 4.1Å; M290-K292 HydrophobicContact CB-CG 4.28Å; M290-K292 PolarHBondContact O-N 3.08Å; M290-K292 VanDerWaalsContact O-N 3.11Å; M290-I294 HydrophobicContact SD-CD1 3.57Å; M290-I294 VanDerWaalsContact SD-CD1 3.57Å; M290-V306 HydrophobicContact CE-CG1 4.07Å; M290-V306 HydrophobicContact SD-CG1 4.04Å; M290-T309 HydrophobicContact CE-CG2 3.65Å; M290-T309 HydrophobicContact CG-CG2 4.27Å; M290-I315 HydrophobicContact CE-CD1 3.5Å; M290-I315 HydrophobicContact CE-CG1 3.69Å
291	N	95.3	Very high	92.1	Very high	65 Å²	65	24.3 Å²	24.3	35%	0.348	12%	0.116	S	C	.	.	S	Bend	trans	-85.1	48.3	173.4	67	-25.4	0	0	0	112.2	W257 Y258 L310	W257-N291 CarbonylContact O-C 3.53Å; Y258-N291 HydrophobicContact CD1-CB 4.45Å; Y258-N291 HydrophobicContact CE1-CB 4.33Å; N291-L310 HydrophobicContact CB-CD2 4.3Å
292	K	92.9	Very high	91.2	Very high	80 Å²	80	25.9 Å²	25.9	35%	0.348	13%	0.127	S	C	.	.	S	Bend	trans	-154.2	151.9	170.2	67.9	-172.3	88.7	-158	0	109.7	W257 Y258 T259 M290 I294 G307	W257-K292 CarbonylContact O-C 3.48Å; W257-K292 WeakPolarHBondContact O-CA 3.41Å; W257-K292 PolarHBondContact O-N 3.41Å; Y258-K292 CarbonylContact C-O 3.54Å; T259-K292 VanDerWaalsContact CB-O 3.28Å; T259-K292 WeakPolarHBondContact CB-O 3.5Å; T259-K292 PolarHBondContact N-O 2.97Å; T259-K292 PolarHBondContact OG1-O 2.99Å; M290-K292 HydrophobicContact CB-CG 4.28Å; M290-K292 PolarHBondContact O-N 3.08Å; M290-K292 VanDerWaalsContact O-N 3.11Å; K292-I294 HydrophobicContact CD-CD1 4.08Å; K292-I294 HydrophobicContact CD-CG1 4.18Å; K292-I294 HydrophobicContact CG-CD1 3.97Å; K292-I294 HydrophobicContact CG-CG1 3.88Å; K292-G307 WeakPolarHBondContact CE-O 3.41Å; K292-G307 PolarHBondContact NZ-O 3.32Å
293	M	93.1	Very high	90.5	Very high	11 Å²	11	25.4 Å²	25.4	5%	0.054	13%	0.128	C	C	.	.			trans	-86.8	125.6	172.5	-166.2	166.5	72.4	0	0	110.4	K180 T182 Y184 W257 T259 M343 V348	K180-M293 HydrophobicContact CB-CE 3.7Å; K180-M293 HydrophobicContact CB-SD 4.41Å; K180-M293 HydrophobicContact CD-SD 4.14Å; T182-M293 HydrophobicContact CG2-CB 4.24Å; T182-M293 HydrophobicContact CG2-CE 3.23Å; Y184-M293 PolarHBondContact OH-O 3.31Å; W257-M293 HydrophobicContact CB-CB 3.93Å; W257-M293 HydrophobicContact CE3-CB 4.06Å; W257-M293 HydrophobicContact CE3-CE 3.9Å; W257-M293 HydrophobicContact CE3-SD 4.4Å; W257-M293 HydrophobicContact CZ3-CE 4.02Å; T259-M293 WeakPolarHBondContact OG1-CA 3.12Å; M293-M343 HydrophobicContact CE-CE 4.32Å; M293-M343 HydrophobicContact SD-CE 3.5Å; M293-M343 VanDerWaalsContact SD-CE 3.5Å; M293-M343 HydrophobicContact SD-SD 4.39Å; M293-V348 HydrophobicContact CG-CB 4.18Å; M293-V348 HydrophobicContact CG-CG1 3.76Å
294	I	93.4	Very high	89.9	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.062	16%	0.164	C	C	.	.			trans	-124	105.9	179.2	-58.6	164.9	0	0	0	108	T259 M290 K292 I299 V306 H350	T259-I294 HydrophobicContact CG2-CB 4.36Å; T259-I294 PolarHBondContact OG1-N 3.5Å; M290-I294 HydrophobicContact SD-CD1 3.57Å; M290-I294 VanDerWaalsContact SD-CD1 3.57Å; K292-I294 HydrophobicContact CD-CD1 4.08Å; K292-I294 HydrophobicContact CD-CG1 4.18Å; K292-I294 HydrophobicContact CG-CD1 3.97Å; K292-I294 HydrophobicContact CG-CG1 3.88Å; I294-I299 HydrophobicContact CG2-CD1 3.97Å; I294-I299 HydrophobicContact CG2-CG1 4.33Å; I294-V306 HydrophobicContact CD1-CG1 3.46Å; I294-V306 VanDerWaalsContact CD1-CG1 3.46Å; I294-H350 PolarHBondContact O-NE2 3.48Å
295	C	93.6	Very high	89.5	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.194	C	C	.	.			trans	-76.7	141.5	174.2	-57.6	0	0	0	0	110.4	Y184 F190 C193 D297 A298 D341	Y184-C295 HydrophobicContact CE2-CB 4.48Å; Y184-C295 PolarHBondContact OH-N 3.39Å; Y184-C295 PolarHBondContact OH-SG 3.36Å; F190-C295 HydrophobicContact CD1-CB 4.35Å; F190-C295 HydrophobicContact CG-CB 4.48Å; C193-C295 WeakPolarHBondContact CA-SG 3.04Å; C193-C295 HydrophobicContact CB-CB 3.53Å; C193-C295 WeakPolarHBondContact CB-SG 3.34Å; C193-C295 WeakPolarHBondContact SG-CA 3.49Å; C193-C295 WeakPolarHBondContact SG-CB 3.44Å; C193-C295 CovalentContact SG-SG 2.04Å; C193-C295 PolarHBondContact SG-SG 2.81Å; C295-D297 VanDerWaalsContact C-N 3.27Å; C295-D297 PolarHBondContact O-N 3.32Å; C295-A298 HydrophobicContact CB-CB 4.31Å; C295-A298 VanDerWaalsContact O-CB 3.25Å; C295-A298 WeakPolarHBondContact O-CB 3.47Å; C295-A298 PolarHBondContact O-N 2.97Å; C295-D341 WeakPolarHBondContact CA-OD1 3.41Å
296	S	92.3	Very high	89.2	Confident	7 Å²	7	42.5 Å²	42.5	5%	0.049	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-61.5	-39.4	-174.5	81.8	0	0	0	0	111.9	A298 I299 R319 L325 D341	S296-A298 VanDerWaalsContact C-N 3.28Å; S296-A298 PolarHBondContact O-N 3.45Å; S296-I299 PolarHBondContact O-N 3.24Å; S296-R319 PolarHBondContact O-NH2 2.93Å; S296-L325 WeakPolarHBondContact O-CD1 3.44Å; S296-D341 WeakPolarHBondContact CB-OD2 3.46Å; S296-D341 PolarHBondContact N-OD1 3.28Å; S296-D341 PolarHBondContact OG-OD2 2.96Å
297	D	89.2	Confident	88.9	Confident	14 Å²	14	40.2 Å²	40.2	8%	0.075	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-75.2	-11.8	178.4	-75.9	-40.2	0	0	0	115.1	M37 W39 K40 F190 C295 I299 R319	M37-D297 HydrophobicContact CE-CB 4.04Å; W39-D297 WeakPolarHBondContact CZ2-O 3.04Å; W39-D297 PolarHBondContact NE1-OD1 3.23Å; K40-D297 WeakPolarHBondContact CE-OD1 3.43Å; K40-D297 WeakPolarHBondContact CE-OD2 3.28Å; K40-D297 IonicContact NZ-OD1 3.85Å; K40-D297 IonicContact NZ-OD2 3.66Å; K40-D297 PolarHBondContact NZ-OD2 3.46Å; F190-D297 HydrophobicContact CE1-CB 3.61Å; F190-D297 VanDerWaalsContact CZ-C 3.5Å; F190-D297 HydrophobicContact CZ-CB 3.95Å; C295-D297 VanDerWaalsContact C-N 3.27Å; C295-D297 PolarHBondContact O-N 3.32Å; D297-I299 PolarHBondContact O-N 2.79Å; D297-R319 IonicContact OD1-NH2 3.41Å; D297-R319 PolarHBondContact OD1-NH2 3.08Å
298	A	86.2	Confident	88.8	Confident	8 Å²	8	42.4 Å²	42.4	7%	0.066	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-69.8	-22.7	170	0	0	0	0	0	112.3	Y184 N186 F190 C295 S296 V300	Y184-A298 HydrophobicContact CD1-CB 3.69Å; Y184-A298 HydrophobicContact CD2-CB 3.4Å; Y184-A298 HydrophobicContact CE1-CB 3.61Å; Y184-A298 HydrophobicContact CE2-CB 3.33Å; Y184-A298 HydrophobicContact CG-CB 3.58Å; Y184-A298 VanDerWaalsContact CZ-CB 3.43Å; N186-A298 PolarHBondContact ND2-O 3.04Å; N186-A298 VanDerWaalsContact ND2-O 3.12Å; F190-A298 HydrophobicContact CE2-CB 3.88Å; F190-A298 HydrophobicContact CZ-CB 4.19Å; C295-A298 HydrophobicContact CB-CB 4.31Å; C295-A298 VanDerWaalsContact O-CB 3.25Å; C295-A298 WeakPolarHBondContact O-CB 3.47Å; C295-A298 PolarHBondContact O-N 2.97Å; S296-A298 VanDerWaalsContact C-N 3.28Å; S296-A298 PolarHBondContact O-N 3.45Å; A298-V300 PolarHBondContact O-N 3.21Å; A298-V300 VanDerWaalsContact O-N 3.1Å
299	I	86.5	Confident	88.6	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.072	21%	0.207	C	C	.	.			trans	-82.5	88	178.2	-51.5	-57.5	0	0	0	109.4	I294 S296 D297 I317 R319 L325	I294-I299 HydrophobicContact CG2-CD1 3.97Å; I294-I299 HydrophobicContact CG2-CG1 4.33Å; S296-I299 PolarHBondContact O-N 3.24Å; D297-I299 PolarHBondContact O-N 2.79Å; I299-I317 HydrophobicContact CG1-CG2 4.34Å; I299-I317 HydrophobicContact CG2-CB 4.36Å; I299-I317 HydrophobicContact CG2-CG2 4.04Å; I299-R319 PolarHBondContact O-NE 3.45Å; I299-R319 PolarHBondContact O-NH2 3.13Å; I299-L325 HydrophobicContact CB-CD2 3.8Å; I299-L325 HydrophobicContact CG2-CD2 3.76Å
300	V	76	Confident	88.5	Confident	24 Å²	24	44.4 Å²	44.4	15%	0.145	22%	0.216	C	C	.	.			trans	-91.3	-15.5	-176.7	-53.3	0	0	0	0	113.6	L35 W39 V59 V62 N186 L188 A298	L35-V300 HydrophobicContact CD2-CG1 4.36Å; W39-V300 HydrophobicContact CE3-CB 4.49Å; W39-V300 HydrophobicContact CH2-CB 3.68Å; W39-V300 HydrophobicContact CH2-CG1 3.12Å; W39-V300 HydrophobicContact CZ2-CB 4.47Å; W39-V300 HydrophobicContact CZ2-CG1 3.68Å; W39-V300 HydrophobicContact CZ3-CB 3.66Å; W39-V300 HydrophobicContact CZ3-CG1 3.68Å; V59-V300 HydrophobicContact CG1-CG2 4.26Å; V62-V300 HydrophobicContact CG1-CG2 4.45Å; N186-V300 HydrophobicContact CB-CG2 4.03Å; N186-V300 WeakPolarHBondContact ND2-CG1 3.42Å; L188-V300 HydrophobicContact CD1-CG1 3.96Å; A298-V300 PolarHBondContact O-N 3.21Å; A298-V300 VanDerWaalsContact O-N 3.1Å
301	K	73.8	Confident	88.3	Confident	84 Å²	84	44.7 Å²	44.7	37%	0.365	22%	0.219	S	C	.	.	S	Bend	trans	-147.6	174	179.4	69.2	171.3	176.9	-179.4	0	111.6	K58 V59 T303	K58-K301 PolarHBondContact O-NZ 3.31Å; K58-K301 VanDerWaalsContact O-NZ 3.11Å; V59-K301 HydrophobicContact CG1-CD 3.96Å; K301-T303 PolarHBondContact O-N 2.9Å; K301-T303 PolarHBondContact O-OG1 2.85Å
302	N	76.2	Confident	88	Confident	91 Å²	91	46.9 Å²	46.9	49%	0.487	23%	0.227	S	C	.	.			trans	-60.2	104.3	172.7	-60.9	13.9	0	0	0	109.7	Q318	N302-Q318 HydrophobicContact CB-CB 3.99Å; N302-Q318 PolarHBondContact ND2-OE1 2.87Å; N302-Q318 VanDerWaalsContact OD1-CB 3.3Å; N302-Q318 WeakPolarHBondContact OD1-CB 3.17Å
303	T	79.3	Confident	87.9	Confident	46 Å²	46	44.8 Å²	44.8	28%	0.282	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	103.2	177.1	-54.6	0	0	0	0	107.3	K301 R305 V306 G316 I317	K301-T303 PolarHBondContact O-N 2.9Å; K301-T303 PolarHBondContact O-OG1 2.85Å; T303-R305 PolarHBondContact O-N 3.46Å; T303-V306 HydrophobicContact CG2-CG2 3.49Å; T303-V306 VanDerWaalsContact CG2-CG2 3.49Å; T303-G316 CarbonylContact O-C 3.38Å; T303-G316 VanDerWaalsContact O-CA 3.22Å; T303-G316 WeakPolarHBondContact O-CA 3.25Å; T303-I317 PolarHBondContact N-O 3.35Å; T303-I317 PolarHBondContact O-N 3.07Å
304	K	78.5	Confident	87.9	Confident	196 Å²	196	48.3 Å²	48.3	85%	0.852	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	-19.8	-175.1	-66.2	-172.2	177.9	-175	0	113.8
305	R	87.4	Confident	87.9	Confident	170 Å²	170	47.8 Å²	47.8	64%	0.642	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	92.7	-172.6	-166.7	174.5	-179.4	110.1	-8.3	110.8	T303 Y314	T303-R305 PolarHBondContact O-N 3.46Å; R305-Y314 HydrophobicContact CG-CD1 3.29Å; R305-Y314 HydrophobicContact CG-CD2 4.45Å; R305-Y314 HydrophobicContact CG-CE1 3.88Å; R305-Y314 HydrophobicContact CG-CG 3.61Å; R305-Y314 VanDerWaalsContact CZ-CE2 3.43Å; R305-Y314 VanDerWaalsContact NH2-CZ 3.32Å
306	V	91.1	Very high	88	Confident	11 Å²	11	48.1 Å²	48.1	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.8	174.3	-175.7	0	0	0	0	107.9	M290 I294 T303 Y314 I315 I317	M290-V306 HydrophobicContact CE-CG1 4.07Å; M290-V306 HydrophobicContact SD-CG1 4.04Å; I294-V306 HydrophobicContact CD1-CG1 3.46Å; I294-V306 VanDerWaalsContact CD1-CG1 3.46Å; T303-V306 HydrophobicContact CG2-CG2 3.49Å; T303-V306 VanDerWaalsContact CG2-CG2 3.49Å; V306-Y314 WeakPolarHBondContact O-CA 3.37Å; V306-I315 WeakPolarHBondContact CA-O 3.26Å; V306-I315 HydrophobicContact CB-CG1 4.1Å; V306-I315 WeakPolarHBondContact CB-O 3.39Å; V306-I315 PolarHBondContact N-O 2.64Å; V306-I315 PolarHBondContact O-N 3.27Å; V306-I317 HydrophobicContact CB-CD1 4.29Å; V306-I317 HydrophobicContact CB-CG1 4.26Å; V306-I317 HydrophobicContact CG1-CD1 4Å; V306-I317 HydrophobicContact CG2-CB 4.24Å; V306-I317 HydrophobicContact CG2-CD1 4.16Å; V306-I317 HydrophobicContact CG2-CG1 3.9Å
307	G	90.6	Very high	88.1	Confident	10 Å²	10	48 Å²	48	10%	0.103	23%	0.234	C	C	.	.			trans	146.8	-165.7	-174	0	0	0	0	0	112.6	K292	K292-G307 WeakPolarHBondContact CE-O 3.41Å; K292-G307 PolarHBondContact NZ-O 3.32Å
308	P	94.3	Very high	88.1	Confident	47 Å²	47	49.2 Å²	49.2	31%	0.305	24%	0.239	S	C	.	.			cis	-70.2	153.5	7	29.7	-35	0	0	0	112.4	T313 Y314	P308-T313 CarbonylContact C-O 3.57Å; P308-T313 VanDerWaalsContact CA-O 3.25Å; P308-T313 WeakPolarHBondContact CA-O 3.31Å; P308-Y314 HydrophobicContact CB-CE1 4.35Å; P308-Y314 HydrophobicContact CB-CE2 4.34Å
309	T	95.9	Very high	88.2	Confident	4 Å²	4	50.3 Å²	50.3	3%	0.025	24%	0.242	C	C	.	.			trans	-71.4	170.2	160.9	65.6	0	0	0	0	109.3	Q287 V289 M290 A311 E312 T313	Q287-T309 WeakPolarHBondContact O-CG2 3.36Å; Q287-T309 PolarHBondContact OE1-OG1 2.83Å; V289-T309 CarbonylContact O-C 3.53Å; V289-T309 VanDerWaalsContact O-CA 3.27Å; V289-T309 WeakPolarHBondContact O-CA 3.39Å; M290-T309 HydrophobicContact CE-CG2 3.65Å; M290-T309 HydrophobicContact CG-CG2 4.27Å; T309-A311 PolarHBondContact O-N 3.29Å; T309-A311 PolarHBondContact OG1-N 3.01Å; T309-E312 WeakPolarHBondContact O-CA 3.48Å; T309-E312 PolarHBondContact O-N 3.27Å; T309-T313 PolarHBondContact N-O 3.21Å; T309-T313 PolarHBondContact OG1-N 2.87Å; T309-T313 PolarHBondContact OG1-O 2.65Å
310	L	95.4	Very high	88.2	Confident	38 Å²	38	51.9 Å²	51.9	20%	0.199	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	0.8	171.2	-60.1	-170.7	0	0	0	112.9	I245 R286 V289 N291	I245-L310 HydrophobicContact CD1-CB 4.48Å; I245-L310 HydrophobicContact CD1-CD1 3.36Å; I245-L310 HydrophobicContact CG1-CD1 4.26Å; I245-L310 HydrophobicContact CG2-CD1 4.33Å; R286-L310 HydrophobicContact CB-CB 4.43Å; R286-L310 PolarHBondContact O-N 3.13Å; V289-L310 HydrophobicContact CB-CB 4.45Å; V289-L310 HydrophobicContact CB-CD1 3.85Å; V289-L310 HydrophobicContact CB-CG 4.07Å; V289-L310 HydrophobicContact CG1-CD1 3.45Å; V289-L310 VanDerWaalsContact CG1-CD1 3.45Å; V289-L310 HydrophobicContact CG1-CG 4.02Å; V289-L310 PolarHBondContact O-N 3.32Å; N291-L310 HydrophobicContact CB-CD2 4.3Å
311	A	92.4	Very high	88.5	Confident	7 Å²	7	56.4 Å²	56.4	6%	0.058	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	14.7	162.9	0	0	0	0	0	112.1	R286 Q287 T309 T313	R286-A311 HydrophobicContact CB-CB 3.95Å; Q287-A311 HydrophobicContact CB-CB 4.2Å; T309-A311 PolarHBondContact O-N 3.29Å; T309-A311 PolarHBondContact OG1-N 3.01Å; A311-T313 WeakPolarHBondContact O-CG2 3.36Å; A311-T313 PolarHBondContact O-N 2.82Å; A311-T313 VanDerWaalsContact O-N 3.13Å
312	E	89.7	Confident	89	Confident	110 Å²	110	58.3 Å²	58.3	51%	0.514	30%	0.297	S	S	.	.	S	Bend	trans	61.4	21.2	176.1	-55	-178.2	165.9	0	0	115.2	T309 K496	T309-E312 WeakPolarHBondContact O-CA 3.48Å; T309-E312 PolarHBondContact O-N 3.27Å; E312-K496 IonicContact OE2-NZ 2.7Å; E312-K496 PolarHBondContact OE2-NZ 3.22Å
313	T	91.1	Very high	89.4	Confident	37 Å²	37	54.7 Å²	54.7	23%	0.227	28%	0.281	C	S	.	.			trans	-112.8	177.2	175.8	83.1	0	0	0	0	112.1	Q287 P308 T309 A311	Q287-T313 PolarHBondContact NE2-OG1 3.33Å; Q287-T313 PolarHBondContact OE1-OG1 3.45Å; P308-T313 CarbonylContact C-O 3.57Å; P308-T313 VanDerWaalsContact CA-O 3.25Å; P308-T313 WeakPolarHBondContact CA-O 3.31Å; T309-T313 PolarHBondContact N-O 3.21Å; T309-T313 PolarHBondContact OG1-N 2.87Å; T309-T313 PolarHBondContact OG1-O 2.65Å; A311-T313 WeakPolarHBondContact O-CG2 3.36Å; A311-T313 PolarHBondContact O-N 2.82Å; A311-T313 VanDerWaalsContact O-N 3.13Å
314	Y	92.9	Very high	89.9	Confident	84 Å²	84	56.5 Å²	56.5	33%	0.329	29%	0.289	S	S	.	.			trans	-126	146.8	-179.5	-62.9	-97.8	0	0	0	110.4	R305 V306 P308	R305-Y314 HydrophobicContact CG-CD1 3.29Å; R305-Y314 HydrophobicContact CG-CD2 4.45Å; R305-Y314 HydrophobicContact CG-CE1 3.88Å; R305-Y314 HydrophobicContact CG-CG 3.61Å; R305-Y314 VanDerWaalsContact CZ-CE2 3.43Å; R305-Y314 VanDerWaalsContact NH2-CZ 3.32Å; V306-Y314 WeakPolarHBondContact O-CA 3.37Å; P308-Y314 HydrophobicContact CB-CE1 4.35Å; P308-Y314 HydrophobicContact CB-CE2 4.34Å
315	I	94.6	Very high	90.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	154.4	171.9	62.9	-177.6	0	0	0	109.9	F261 M290 V306 I317 I327 I356	F261-I315 HydrophobicContact CD2-CD1 4.27Å; F261-I315 HydrophobicContact CE2-CD1 3.83Å; F261-I315 HydrophobicContact CZ-CD1 4.17Å; M290-I315 HydrophobicContact CE-CD1 3.5Å; M290-I315 HydrophobicContact CE-CG1 3.69Å; V306-I315 WeakPolarHBondContact CA-O 3.26Å; V306-I315 HydrophobicContact CB-CG1 4.1Å; V306-I315 WeakPolarHBondContact CB-O 3.39Å; V306-I315 PolarHBondContact N-O 2.64Å; V306-I315 PolarHBondContact O-N 3.27Å; I315-I317 HydrophobicContact CD1-CD1 4.15Å; I315-I317 HydrophobicContact CD1-CG1 4.24Å; I315-I317 HydrophobicContact CG1-CG1 4.25Å; I315-I327 HydrophobicContact CB-CG2 3.97Å; I315-I327 HydrophobicContact CD1-CD1 4.4Å; I315-I327 HydrophobicContact CD1-CG2 3.84Å; I315-I327 HydrophobicContact CG1-CG2 4.29Å; I315-I327 HydrophobicContact CG2-CG2 4.39Å; I315-I356 HydrophobicContact CD1-CD1 4.06Å; I315-I356 HydrophobicContact CG2-CD1 4.47Å; I315-I356 HydrophobicContact CG2-CG2 3.63Å
316	G	94.1	Very high	91	Very high	8 Å²	8	39.8 Å²	39.8	8%	0.082	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	145.4	163.7	0	0	0	0	0	110.2	T303 I327 N328	T303-G316 CarbonylContact O-C 3.38Å; T303-G316 VanDerWaalsContact O-CA 3.22Å; T303-G316 WeakPolarHBondContact O-CA 3.25Å; G316-I327 CarbonylContact O-C 3.51Å; G316-I327 VanDerWaalsContact O-CA 3.3Å; G316-I327 WeakPolarHBondContact O-CA 3.25Å; G316-N328 PolarHBondContact N-O 3.35Å; G316-N328 PolarHBondContact O-N 3.48Å
317	I	94	Very high	91.2	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.1	167.5	-49.7	-176.8	0	0	0	108.3	F261 I299 T303 V306 I315 L325 I326 I327	F261-I317 HydrophobicContact CE1-CD1 4.17Å; F261-I317 HydrophobicContact CZ-CD1 3.73Å; I299-I317 HydrophobicContact CG1-CG2 4.34Å; I299-I317 HydrophobicContact CG2-CB 4.36Å; I299-I317 HydrophobicContact CG2-CG2 4.04Å; T303-I317 PolarHBondContact N-O 3.35Å; T303-I317 PolarHBondContact O-N 3.07Å; V306-I317 HydrophobicContact CB-CD1 4.29Å; V306-I317 HydrophobicContact CB-CG1 4.26Å; V306-I317 HydrophobicContact CG1-CD1 4Å; V306-I317 HydrophobicContact CG2-CB 4.24Å; V306-I317 HydrophobicContact CG2-CD1 4.16Å; V306-I317 HydrophobicContact CG2-CG1 3.9Å; I315-I317 HydrophobicContact CD1-CD1 4.15Å; I315-I317 HydrophobicContact CD1-CG1 4.24Å; I315-I317 HydrophobicContact CG1-CG1 4.25Å; I317-L325 HydrophobicContact CG2-CD2 4.17Å; I317-I326 WeakPolarHBondContact CA-O 3.39Å; I317-I327 HydrophobicContact CD1-CG1 4.45Å; I317-I327 HydrophobicContact CG1-CG1 4.2Å
318	Q	90.7	Very high	91.4	Very high	40 Å²	40	40.2 Å²	40.2	19%	0.187	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	164.1	-178.7	65.6	-179.8	33.5	0	0	111.9	N302 L325 I326 N328	N302-Q318 HydrophobicContact CB-CB 3.99Å; N302-Q318 PolarHBondContact ND2-OE1 2.87Å; N302-Q318 VanDerWaalsContact OD1-CB 3.3Å; N302-Q318 WeakPolarHBondContact OD1-CB 3.17Å; Q318-L325 CarbonylContact O-C 3.59Å; Q318-L325 WeakPolarHBondContact O-CA 3.49Å; Q318-I326 HydrophobicContact CG-CB 4.31Å; Q318-I326 PolarHBondContact N-O 3.45Å; Q318-I326 PolarHBondContact O-N 3.47Å; Q318-N328 PolarHBondContact OE1-ND2 2.91Å
319	R	87.7	Confident	91.3	Very high	32 Å²	32	38.4 Å²	38.4	12%	0.121	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133	165.3	-68.9	-176.6	-175.7	-93.8	1.6	109.1	W39 S296 D297 I299 G323 N324 L325	W39-R319 VanDerWaalsContact CD1-NH2 3.32Å; W39-R319 VanDerWaalsContact NE1-NH2 3.12Å; S296-R319 PolarHBondContact O-NH2 2.93Å; D297-R319 IonicContact OD1-NH2 3.41Å; D297-R319 PolarHBondContact OD1-NH2 3.08Å; I299-R319 PolarHBondContact O-NE 3.45Å; I299-R319 PolarHBondContact O-NH2 3.13Å; R319-G323 PolarHBondContact NH1-O 3.44Å; R319-N324 CarbonylContact C-O 3.53Å; R319-N324 VanDerWaalsContact CA-O 3.27Å; R319-N324 WeakPolarHBondContact CA-O 3.41Å; R319-L325 HydrophobicContact CG-CD2 3.5Å; R319-L325 VanDerWaalsContact CG-CD2 3.5Å; R319-L325 HydrophobicContact CG-CG 4.29Å
320	N	86.3	Confident	91.2	Very high	47 Å²	47	39.9 Å²	39.9	25%	0.251	22%	0.216	S	C	.	.			trans	-76	-179.6	171	71.3	9.9	0	0	0	111.2	N322 G323 N324 I326	N320-N322 PolarHBondContact O-N 2.89Å; N320-N322 VanDerWaalsContact O-N 3.09Å; N320-N322 WeakPolarHBondContact OD1-CA 3.24Å; N320-N322 WeakPolarHBondContact OD1-CB 3.31Å; N320-N322 PolarHBondContact OD1-N 3.3Å; N320-G323 PolarHBondContact O-N 3.48Å; N320-G323 PolarHBondContact OD1-N 3.29Å; N320-N324 PolarHBondContact N-O 3.3Å; N320-N324 WeakPolarHBondContact OD1-CB 3.48Å; N320-N324 PolarHBondContact OD1-N 3.32Å; N320-N324 PolarHBondContact OD1-O 3.11Å; N320-I326 HydrophobicContact CB-CD1 3.63Å; N320-I326 HydrophobicContact CB-CG1 4.28Å
321	S	82.7	Confident	91.1	Very high	119 Å²	119	39 Å²	39	83%	0.832	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.2	178.7	54.6	0	0	0	0	114	G323	S321-G323 VanDerWaalsContact C-N 3.32Å
322	N	84.2	Confident	91.2	Very high	124 Å²	124	42.2 Å²	42.2	66%	0.663	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	5.6	-179.4	-56.8	-9.5	0	0	0	112.1	N320 N324	N320-N322 PolarHBondContact O-N 2.89Å; N320-N322 VanDerWaalsContact O-N 3.09Å; N320-N322 WeakPolarHBondContact OD1-CA 3.24Å; N320-N322 WeakPolarHBondContact OD1-CB 3.31Å; N320-N322 PolarHBondContact OD1-N 3.3Å; N322-N324 PolarHBondContact O-N 3.38Å
323	G	83.8	Confident	91.4	Very high	14 Å²	14	40 Å²	40	14%	0.144	22%	0.218	C	C	.	.	S	Bend	trans	78.9	0.1	-177.7	0	0	0	0	0	114.9	R319 N320 S321	R319-G323 PolarHBondContact NH1-O 3.44Å; N320-G323 PolarHBondContact O-N 3.48Å; N320-G323 PolarHBondContact OD1-N 3.29Å; S321-G323 VanDerWaalsContact C-N 3.32Å
324	N	90.1	Very high	91.5	Very high	84 Å²	84	43.6 Å²	43.6	45%	0.449	23%	0.232	S	C	.	.			trans	-77.7	142.7	179.3	-70.2	-30.9	0	0	0	111.2	R319 N320 N322	R319-N324 CarbonylContact C-O 3.53Å; R319-N324 VanDerWaalsContact CA-O 3.27Å; R319-N324 WeakPolarHBondContact CA-O 3.41Å; N320-N324 PolarHBondContact N-O 3.3Å; N320-N324 WeakPolarHBondContact OD1-CB 3.48Å; N320-N324 PolarHBondContact OD1-N 3.32Å; N320-N324 PolarHBondContact OD1-O 3.11Å; N322-N324 PolarHBondContact O-N 3.38Å
325	L	93.2	Very high	91.7	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.6	179.8	-69.3	167.3	0	0	0	110.9	S296 I299 I317 Q318 R319 I337 K340	S296-L325 WeakPolarHBondContact O-CD1 3.44Å; I299-L325 HydrophobicContact CB-CD2 3.8Å; I299-L325 HydrophobicContact CG2-CD2 3.76Å; I317-L325 HydrophobicContact CG2-CD2 4.17Å; Q318-L325 CarbonylContact O-C 3.59Å; Q318-L325 WeakPolarHBondContact O-CA 3.49Å; R319-L325 HydrophobicContact CG-CD2 3.5Å; R319-L325 VanDerWaalsContact CG-CD2 3.5Å; R319-L325 HydrophobicContact CG-CG 4.29Å; L325-I337 HydrophobicContact CB-CB 4.37Å; L325-I337 HydrophobicContact CB-CD1 3.79Å; L325-I337 HydrophobicContact CB-CG1 4.09Å; L325-I337 HydrophobicContact CD1-CD1 4.27Å; L325-I337 PolarHBondContact O-N 2.9Å; L325-I337 VanDerWaalsContact O-N 3.08Å; L325-K340 HydrophobicContact CD1-CD 4.08Å
326	I	95.2	Very high	91.8	Very high	15 Å²	15	40.9 Å²	40.9	8%	0.077	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132	177.3	-60.4	-173.8	0	0	0	107.9	I317 Q318 N320 Q334 I335	I317-I326 WeakPolarHBondContact CA-O 3.39Å; Q318-I326 HydrophobicContact CG-CB 4.31Å; Q318-I326 PolarHBondContact N-O 3.45Å; Q318-I326 PolarHBondContact O-N 3.47Å; N320-I326 HydrophobicContact CB-CD1 3.63Å; N320-I326 HydrophobicContact CB-CG1 4.28Å; I326-Q334 HydrophobicContact CG2-CB 3.61Å; I326-Q334 HydrophobicContact CG2-CG 4.05Å; I326-I335 CarbonylContact C-O 3.56Å; I326-I335 WeakPolarHBondContact CA-O 3.08Å
327	I	96.2	Very high	92	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.5	168.5	-58.4	176	0	0	0	108.2	F261 I315 G316 I317 Q334 I335 I337 I352 I356	F261-I327 HydrophobicContact CD1-CD1 3.5Å; F261-I327 VanDerWaalsContact CD1-CD1 3.5Å; F261-I327 HydrophobicContact CE1-CD1 3.71Å; F261-I327 HydrophobicContact CG-CD1 4.08Å; F261-I327 HydrophobicContact CZ-CD1 4.45Å; I315-I327 HydrophobicContact CB-CG2 3.97Å; I315-I327 HydrophobicContact CD1-CD1 4.4Å; I315-I327 HydrophobicContact CD1-CG2 3.84Å; I315-I327 HydrophobicContact CG1-CG2 4.29Å; I315-I327 HydrophobicContact CG2-CG2 4.39Å; G316-I327 CarbonylContact O-C 3.51Å; G316-I327 VanDerWaalsContact O-CA 3.3Å; G316-I327 WeakPolarHBondContact O-CA 3.25Å; I317-I327 HydrophobicContact CD1-CG1 4.45Å; I317-I327 HydrophobicContact CG1-CG1 4.2Å; I327-Q334 CarbonylContact O-C 3.37Å; I327-Q334 WeakPolarHBondContact O-CA 3.43Å; I327-I335 HydrophobicContact CB-CB 4.26Å; I327-I335 PolarHBondContact N-O 2.82Å; I327-I335 PolarHBondContact O-N 3.38Å; I327-I337 HydrophobicContact CD1-CD1 4.36Å; I327-I337 HydrophobicContact CD1-CG1 4.28Å; I327-I337 HydrophobicContact CG1-CD1 4.2Å; I327-I337 HydrophobicContact CG1-CG1 4.16Å; I327-I352 HydrophobicContact CD1-CG2 3.79Å; I327-I356 HydrophobicContact CD1-CD1 4.32Å; I327-I356 HydrophobicContact CG2-CG1 4.43Å
328	N	94	Very high	92	Very high	30 Å²	30	46.6 Å²	46.6	16%	0.16	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.1	168.3	-59.5	-47.6	0	0	0	107.8	G316 Q318 K333 Q334	G316-N328 PolarHBondContact N-O 3.35Å; G316-N328 PolarHBondContact O-N 3.48Å; Q318-N328 PolarHBondContact OE1-ND2 2.91Å; N328-K333 WeakPolarHBondContact CA-O 3.39Å; N328-Q334 WeakPolarHBondContact OD1-CG 3.47Å
329	D	94.1	Very high	92.3	Very high	8 Å²	8	49 Å²	49	4%	0.043	26%	0.26	C	S	.	.			trans	-88.3	-176	177.8	70.6	16.5	0	0	0	112.8	C331 N332 K333 I356 S357	D329-C331 PolarHBondContact O-N 3.33Å; D329-C331 WeakPolarHBondContact OD1-CA 3.46Å; D329-C331 WeakPolarHBondContact OD1-CB 3.49Å; D329-C331 PolarHBondContact OD1-N 2.81Å; D329-N332 PolarHBondContact O-N 2.86Å; D329-N332 PolarHBondContact OD1-N 3.38Å; D329-K333 PolarHBondContact N-O 3.07Å; D329-K333 WeakPolarHBondContact OD1-CB 3.34Å; D329-K333 PolarHBondContact OD1-N 2.96Å; D329-I356 HydrophobicContact CB-CG2 3.92Å; D329-S357 WeakPolarHBondContact OD2-CB 3.27Å; D329-S357 PolarHBondContact OD2-N 3.19Å; D329-S357 PolarHBondContact OD2-OG 3.1Å
330	I	92.7	Very high	92.6	Very high	35 Å²	35	50.6 Å²	50.6	18%	0.179	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.8	179.9	-169.5	160.2	0	0	0	113.6	N332 L359 N374	I330-N332 VanDerWaalsContact C-N 3.26Å; I330-L359 HydrophobicContact CD1-CD1 3.53Å; I330-L359 HydrophobicContact CD1-CG 4.3Å; I330-L359 HydrophobicContact CG1-CD1 4.08Å; I330-L359 HydrophobicContact CG2-CD1 4.4Å; I330-L359 HydrophobicContact CG2-CG 4.06Å; I330-N374 WeakPolarHBondContact O-CB 3.41Å; I330-N374 PolarHBondContact O-ND2 3.11Å
331	C	94.2	Very high	93.1	Very high	19 Å²	19	49.7 Å²	49.7	13%	0.128	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9.3	174.8	-51.9	0	0	0	0	112.4	D329 K333 S357 C370	D329-C331 PolarHBondContact O-N 3.33Å; D329-C331 WeakPolarHBondContact OD1-CA 3.46Å; D329-C331 WeakPolarHBondContact OD1-CB 3.49Å; D329-C331 PolarHBondContact OD1-N 2.81Å; C331-K333 PolarHBondContact O-N 2.66Å; C331-S357 WeakPolarHBondContact SG-CB 3.5Å; C331-S357 PolarHBondContact SG-OG 3.45Å; C331-C370 WeakPolarHBondContact CA-SG 3.14Å; C331-C370 HydrophobicContact CB-CB 3.84Å; C331-C370 WeakPolarHBondContact CB-SG 3.37Å; C331-C370 WeakPolarHBondContact SG-CB 3.45Å; C331-C370 CovalentContact SG-SG 2.01Å; C331-C370 PolarHBondContact SG-SG 3.17Å
332	N	92.7	Very high	93.8	Very high	76 Å²	76	44.6 Å²	44.6	41%	0.406	23%	0.226	S	C	.	.			trans	59.6	25	-175.2	-168.5	43.7	0	0	0	113	D329 I330 N373 N374	D329-N332 PolarHBondContact O-N 2.86Å; D329-N332 PolarHBondContact OD1-N 3.38Å; I330-N332 VanDerWaalsContact C-N 3.26Å; N332-N373 WeakPolarHBondContact CB-O 3.46Å; N332-N373 PolarHBondContact ND2-O 3.37Å; N332-N374 HydrophobicContact CB-CB 4.14Å
333	K	94.4	Very high	94.4	Very high	62 Å²	62	38.8 Å²	38.8	27%	0.27	20%	0.195	S	C	.	.			trans	-78.3	132.9	173	-176.9	-174.8	175.2	-171.2	0	109.2	N328 D329 C331 I335 N354 S355	N328-K333 WeakPolarHBondContact CA-O 3.39Å; D329-K333 PolarHBondContact N-O 3.07Å; D329-K333 WeakPolarHBondContact OD1-CB 3.34Å; D329-K333 PolarHBondContact OD1-N 2.96Å; C331-K333 PolarHBondContact O-N 2.66Å; K333-I335 HydrophobicContact CD-CD1 4.18Å; K333-I335 HydrophobicContact CD-CG1 4.05Å; K333-I335 HydrophobicContact CG-CG1 3.97Å; K333-N354 VanDerWaalsContact CE-CG 3.46Å; K333-N354 WeakPolarHBondContact CE-ND2 3.44Å; K333-N354 PolarHBondContact NZ-ND2 3.03Å; K333-N354 PolarHBondContact NZ-OD1 3.28Å; K333-S355 PolarHBondContact NZ-O 3.45Å
334	Q	94.6	Very high	95	Very high	113 Å²	113	38.1 Å²	38.1	53%	0.528	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.7	173.4	-67.1	-169.7	37.3	0	0	109.3	I326 I327 N328	I326-Q334 HydrophobicContact CG2-CB 3.61Å; I326-Q334 HydrophobicContact CG2-CG 4.05Å; I327-Q334 CarbonylContact O-C 3.37Å; I327-Q334 WeakPolarHBondContact O-CA 3.43Å; N328-Q334 WeakPolarHBondContact OD1-CG 3.47Å
335	I	97.1	Very high	95.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	109.4	-176.6	-51.4	168	0	0	0	108.8	I326 I327 K333 I352 E353 N354 S355 I356	I326-I335 CarbonylContact C-O 3.56Å; I326-I335 WeakPolarHBondContact CA-O 3.08Å; I327-I335 HydrophobicContact CB-CB 4.26Å; I327-I335 PolarHBondContact N-O 2.82Å; I327-I335 PolarHBondContact O-N 3.38Å; K333-I335 HydrophobicContact CD-CD1 4.18Å; K333-I335 HydrophobicContact CD-CG1 4.05Å; K333-I335 HydrophobicContact CG-CG1 3.97Å; I335-I352 HydrophobicContact CG2-CB 3.97Å; I335-I352 HydrophobicContact CG2-CD1 4.23Å; I335-I352 HydrophobicContact CG2-CG1 4.42Å; I335-E353 WeakPolarHBondContact CA-OE1 3.48Å; I335-E353 HydrophobicContact CG2-CG 3.71Å; I335-N354 HydrophobicContact CG2-CB 4.05Å; I335-N354 VanDerWaalsContact CG2-O 3.3Å; I335-N354 WeakPolarHBondContact CG2-O 3.5Å; I335-S355 VanDerWaalsContact CD1-O 3.24Å; I335-S355 WeakPolarHBondContact CD1-O 3.28Å; I335-I356 HydrophobicContact CD1-CG1 4.27Å
336	A	96.6	Very high	95.4	Very high	29 Å²	29	35.3 Å²	35.3	24%	0.24	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	142.3	175.7	0	0	0	0	0	112.3	E353	A336-E353 VanDerWaalsContact CB-CD 3.49Å; A336-E353 HydrophobicContact CB-CG 4.17Å; A336-E353 WeakPolarHBondContact CB-OE2 3.38Å; A336-E353 PolarHBondContact N-OE1 3.34Å; A336-E353 PolarHBondContact O-N 3.46Å
337	I	96.8	Very high	95.5	Very high	14 Å²	14	34.6 Å²	34.6	7%	0.072	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	112.4	169.7	-49.2	-175.4	0	0	0	108.8	F261 L325 I327 K340 H350 I352	F261-I337 HydrophobicContact CE1-CD1 4.28Å; L325-I337 HydrophobicContact CB-CB 4.37Å; L325-I337 HydrophobicContact CB-CD1 3.79Å; L325-I337 HydrophobicContact CB-CG1 4.09Å; L325-I337 HydrophobicContact CD1-CD1 4.27Å; L325-I337 PolarHBondContact O-N 2.9Å; L325-I337 VanDerWaalsContact O-N 3.08Å; I327-I337 HydrophobicContact CD1-CD1 4.36Å; I327-I337 HydrophobicContact CD1-CG1 4.28Å; I327-I337 HydrophobicContact CG1-CD1 4.2Å; I327-I337 HydrophobicContact CG1-CG1 4.16Å; I337-K340 HydrophobicContact CB-CG 4.26Å; I337-K340 HydrophobicContact CG2-CG 3.57Å; I337-H350 HydrophobicContact CG2-CB 3.83Å; I337-I352 HydrophobicContact CB-CG2 4.48Å; I337-I352 HydrophobicContact CG1-CG2 4.11Å; I337-I352 HydrophobicContact CG2-CG2 4.35Å
338	Q	95	Very high	95.6	Very high	117 Å²	117	34.6 Å²	34.6	55%	0.547	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-49.4	-174.9	-64.4	-175.7	-22.2	0	0	112.4	I351 E353	Q338-I351 PolarHBondContact N-O 2.93Å; Q338-E353 HydrophobicContact CG-CB 4.04Å
339	R	95.8	Very high	95.8	Very high	91 Å²	91	33.1 Å²	33.1	34%	0.343	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.5	175.1	-66.3	169.2	55	-157.6	-0.9	108.6	E231 H350 I351	E231-R339 VanDerWaalsContact CD-NH2 3.32Å; E231-R339 IonicContact OE1-NH2 3.2Å; E231-R339 PolarHBondContact OE1-NH2 3.44Å; E231-R339 IonicContact OE2-CZ 3.85Å; E231-R339 VanDerWaalsContact OE2-CZ 3.29Å; E231-R339 IonicContact OE2-NH1 3.34Å; E231-R339 PolarHBondContact OE2-NH1 3.34Å; E231-R339 IonicContact OE2-NH2 2.9Å; E231-R339 PolarHBondContact OE2-NH2 3.28Å; R339-H350 CarbonylContact O-C 3.5Å; R339-H350 WeakPolarHBondContact O-CA 3Å; R339-I351 HydrophobicContact CB-CB 4.09Å; R339-I351 HydrophobicContact CB-CD1 4.32Å; R339-I351 HydrophobicContact CB-CG1 4.37Å; R339-I351 PolarHBondContact N-O 3.21Å; R339-I351 VanDerWaalsContact NH1-CD1 3.28Å; R339-I351 PolarHBondContact O-N 2.89Å
340	K	95.3	Very high	96	Very high	64 Å²	64	32.9 Å²	32.9	28%	0.278	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	152.6	-172.4	-63.7	164.2	-168.4	170.5	0	109.7	L325 I337 L342 H350	L325-K340 HydrophobicContact CD1-CD 4.08Å; I337-K340 HydrophobicContact CB-CG 4.26Å; I337-K340 HydrophobicContact CG2-CG 3.57Å; K340-L342 PolarHBondContact O-N 3.36Å; K340-H350 WeakPolarHBondContact CA-ND1 3.24Å
341	D	96	Very high	96.3	Very high	28 Å²	28	31.2 Å²	31.2	15%	0.15	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.8	40.7	167.1	-54.1	-47.6	0	0	0	114.7	C193 C295 S296 M343 V348 H350	C193-D341 HydrophobicContact CB-CB 4.12Å; C295-D341 WeakPolarHBondContact CA-OD1 3.41Å; S296-D341 WeakPolarHBondContact CB-OD2 3.46Å; S296-D341 PolarHBondContact N-OD1 3.28Å; S296-D341 PolarHBondContact OG-OD2 2.96Å; D341-M343 PolarHBondContact O-N 3.08Å; D341-V348 HydrophobicContact CB-CG2 4.44Å; D341-H350 PolarHBondContact N-CE1 3.26Å; D341-H350 PolarHBondContact N-ND1 3.37Å; D341-H350 VanDerWaalsContact N-ND1 3.19Å; D341-H350 IonicContact OD1-CE1 2.71Å; D341-H350 PolarHBondContact OD1-CE1 2.01Å; D341-H350 VanDerWaalsContact OD1-CE1 3.23Å
342	L	97.1	Very high	96.5	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.068	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	95.1	171.1	-55.2	-178.4	0	0	0	108.8	K340 I349 I351	K340-L342 PolarHBondContact O-N 3.36Å; L342-I349 HydrophobicContact CB-CB 4.1Å; L342-I349 WeakPolarHBondContact CB-O 3.35Å; L342-I349 HydrophobicContact CD1-CG2 4.45Å; L342-I349 PolarHBondContact N-O 3.41Å; L342-I349 PolarHBondContact O-N 3.5Å; L342-I351 HydrophobicContact CD1-CD1 3.63Å; L342-I351 HydrophobicContact CD1-CG1 3.88Å
343	M	97.2	Very high	96.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	152.9	-170.9	-66.9	-61.7	-66.5	0	0	113.7	K180 D192 C193 P216 T218 M293 D341 V348	K180-M343 VanDerWaalsContact CE-CE 3.43Å; D192-M343 HydrophobicContact CB-CE 4.01Å; C193-M343 HydrophobicContact CB-SD 3.97Å; P216-M343 HydrophobicContact CB-CB 3.89Å; P216-M343 HydrophobicContact CB-CG 4.23Å; P216-M343 HydrophobicContact CG-CB 3.48Å; P216-M343 VanDerWaalsContact CG-CB 3.48Å; P216-M343 HydrophobicContact CG-CG 3.46Å; P216-M343 VanDerWaalsContact CG-CG 3.46Å; T218-M343 HydrophobicContact CG2-CB 3.85Å; M293-M343 HydrophobicContact CE-CE 4.32Å; M293-M343 HydrophobicContact SD-CE 3.5Å; M293-M343 VanDerWaalsContact SD-CE 3.5Å; M293-M343 HydrophobicContact SD-SD 4.39Å; D341-M343 PolarHBondContact O-N 3.08Å; M343-V348 HydrophobicContact SD-CB 3.59Å; M343-V348 VanDerWaalsContact SD-CB 3.59Å; M343-V348 HydrophobicContact SD-CG2 3.52Å; M343-V348 VanDerWaalsContact SD-CG2 3.52Å
344	S	96.9	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.			trans	-135.1	179.3	169.5	68.7	0	0	0	0	110.3	K180 T218 Y221 T223 V224 T346 G347	K180-S344 WeakPolarHBondContact CE-O 3.31Å; K180-S344 PolarHBondContact NZ-O 3.28Å; K180-S344 VanDerWaalsContact NZ-O 3.08Å; T218-S344 WeakPolarHBondContact CG2-O 3.46Å; Y221-S344 CarbonylContact O-C 3.5Å; Y221-S344 WeakPolarHBondContact O-CA 3.49Å; Y221-S344 WeakPolarHBondContact O-CB 3.14Å; T223-S344 WeakPolarHBondContact O-CB 3.33Å; V224-S344 WeakPolarHBondContact CA-OG 3.49Å; V224-S344 WeakPolarHBondContact CG2-OG 3.47Å; V224-S344 PolarHBondContact N-OG 2.95Å; S344-T346 PolarHBondContact O-N 2.92Å; S344-T346 PolarHBondContact OG-N 2.86Å; S344-G347 PolarHBondContact N-O 3.02Å; S344-G347 PolarHBondContact OG-N 3.25Å; S344-G347 VanDerWaalsContact OG-N 3.11Å; S344-G347 PolarHBondContact OG-O 3.26Å
345	G	95.9	Very high	96.9	Very high	23 Å²	23	24.5 Å²	24.5	24%	0.237	13%	0.125	C	C	.	.	S	Bend	trans	-63	-25.6	173.8	0	0	0	0	0	114	Y221 P222	Y221-G345 PolarHBondContact O-N 3.37Å; P222-G345 VanDerWaalsContact O-CA 3.3Å; P222-G345 WeakPolarHBondContact O-CA 3.43Å
346	T	96.1	Very high	97	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	13%	0.125	C	C	.	.	S	Bend	trans	-125.1	11.2	-171.4	61.8	0	0	0	0	114.2	T223 V224 E251 P252 W257 Y258 S344	T223-T346 WeakPolarHBondContact CA-OG1 3.27Å; V224-T346 PolarHBondContact N-OG1 2.95Å; V224-T346 VanDerWaalsContact N-OG1 3.12Å; E251-T346 WeakPolarHBondContact O-CG2 3.37Å; P252-T346 WeakPolarHBondContact O-CG2 3.49Å; W257-T346 VanDerWaalsContact CA-O 3.27Å; W257-T346 WeakPolarHBondContact CA-O 3.15Å; Y258-T346 PolarHBondContact N-O 3.31Å; S344-T346 PolarHBondContact O-N 2.92Å; S344-T346 PolarHBondContact OG-N 2.86Å
347	G	97	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.4	-165.6	178.6	0	0	0	0	0	114.5	Y258 S344	Y258-G347 CarbonylContact O-C 3.56Å; Y258-G347 WeakPolarHBondContact O-CA 3.49Å; S344-G347 PolarHBondContact N-O 3.02Å; S344-G347 PolarHBondContact OG-N 3.25Å; S344-G347 VanDerWaalsContact OG-N 3.11Å; S344-G347 PolarHBondContact OG-O 3.26Å
348	V	97.9	Very high	96.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.7	-172.4	66.2	0	0	0	0	111.5	Y258 T259 V260 M293 D341 M343	Y258-V348 PolarHBondContact O-N 3.18Å; T259-V348 CarbonylContact C-O 3.52Å; T259-V348 WeakPolarHBondContact CA-O 3.24Å; T259-V348 HydrophobicContact CG2-CG1 4.08Å; T259-V348 WeakPolarHBondContact OG1-CG1 3.19Å; V260-V348 PolarHBondContact N-O 3.32Å; M293-V348 HydrophobicContact CG-CB 4.18Å; M293-V348 HydrophobicContact CG-CG1 3.76Å; D341-V348 HydrophobicContact CB-CG2 4.44Å; M343-V348 HydrophobicContact SD-CB 3.59Å; M343-V348 VanDerWaalsContact SD-CB 3.59Å; M343-V348 HydrophobicContact SD-CG2 3.52Å; M343-V348 VanDerWaalsContact SD-CG2 3.52Å
349	I	98.5	Very high	96.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.1	172.9	-62.7	142.4	0	0	0	109.6	V224 R227 L228 V260 A262 L342 I351	V224-I349 HydrophobicContact CG1-CD1 4.14Å; V224-I349 HydrophobicContact CG1-CG1 4.03Å; R227-I349 HydrophobicContact CB-CD1 3.57Å; R227-I349 HydrophobicContact CG-CD1 3.32Å; L228-I349 HydrophobicContact CB-CD1 4.45Å; L228-I349 HydrophobicContact CD2-CD1 3.74Å; L228-I349 HydrophobicContact CD2-CG1 3.82Å; L228-I349 HydrophobicContact CD2-CG2 3.98Å; L228-I349 HydrophobicContact CG-CD1 3.63Å; L228-I349 HydrophobicContact CG-CG1 4.06Å; V260-I349 HydrophobicContact CB-CG1 4.08Å; V260-I349 CarbonylContact O-C 3.58Å; V260-I349 VanDerWaalsContact O-CA 3.3Å; V260-I349 WeakPolarHBondContact O-CA 3.44Å; A262-I349 HydrophobicContact CB-CG2 3.83Å; L342-I349 HydrophobicContact CB-CB 4.1Å; L342-I349 WeakPolarHBondContact CB-O 3.35Å; L342-I349 HydrophobicContact CD1-CG2 4.45Å; L342-I349 PolarHBondContact N-O 3.41Å; L342-I349 PolarHBondContact O-N 3.5Å; I349-I351 HydrophobicContact CG2-CG1 4.42Å
350	H	98.4	Very high	96.4	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.3	168.5	-60.9	-74.7	0	0	0	108.1	V260 F261 A262 I294 I337 R339 K340 D341	V260-H350 PolarHBondContact O-N 3.38Å; F261-H350 CarbonylContact C-O 3.57Å; F261-H350 VanDerWaalsContact CA-O 3.26Å; F261-H350 WeakPolarHBondContact CA-O 3.26Å; F261-H350 HydrophobicContact CD1-CB 3.82Å; F261-H350 HydrophobicContact CE1-CB 4.11Å; F261-H350 AromaticContact CE1-CD2 3.85Å; A262-H350 PolarHBondContact N-O 2.81Å; I294-H350 PolarHBondContact O-NE2 3.48Å; I337-H350 HydrophobicContact CG2-CB 3.83Å; R339-H350 CarbonylContact O-C 3.5Å; R339-H350 WeakPolarHBondContact O-CA 3Å; K340-H350 WeakPolarHBondContact CA-ND1 3.24Å; D341-H350 PolarHBondContact N-CE1 3.26Å; D341-H350 PolarHBondContact N-ND1 3.37Å; D341-H350 VanDerWaalsContact N-ND1 3.19Å; D341-H350 IonicContact OD1-CE1 2.71Å; D341-H350 PolarHBondContact OD1-CE1 2.01Å; D341-H350 VanDerWaalsContact OD1-CE1 3.23Å
351	I	98.4	Very high	96.2	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.9	176	-57.4	177.2	0	0	0	108.3	L234 A262 P264 Q338 R339 L342 I349	L234-I351 HydrophobicContact CD1-CD1 4.06Å; L234-I351 HydrophobicContact CD1-CG1 4.19Å; L234-I351 HydrophobicContact CD2-CD1 4.23Å; L234-I351 HydrophobicContact CD2-CG1 4.31Å; L234-I351 HydrophobicContact CD2-CG2 4.35Å; L234-I351 HydrophobicContact CG-CD1 4.46Å; A262-I351 WeakPolarHBondContact O-CA 3.45Å; P264-I351 HydrophobicContact CG-CG2 3.75Å; Q338-I351 PolarHBondContact N-O 2.93Å; R339-I351 HydrophobicContact CB-CB 4.09Å; R339-I351 HydrophobicContact CB-CD1 4.32Å; R339-I351 HydrophobicContact CB-CG1 4.37Å; R339-I351 PolarHBondContact N-O 3.21Å; R339-I351 VanDerWaalsContact NH1-CD1 3.28Å; R339-I351 PolarHBondContact O-N 2.89Å; L342-I351 HydrophobicContact CD1-CD1 3.63Å; L342-I351 HydrophobicContact CD1-CG1 3.88Å; I349-I351 HydrophobicContact CG2-CG1 4.42Å
352	I	98.3	Very high	95.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	151.8	-174.3	61.9	171	0	0	0	111.1	F261 A262 V263 P264 I327 I335 I337 N354 I356	F261-I352 HydrophobicContact CB-CD1 4Å; F261-I352 HydrophobicContact CB-CG2 4.23Å; F261-I352 HydrophobicContact CD1-CG2 3.97Å; A262-I352 WeakPolarHBondContact O-CG1 3.33Å; A262-I352 PolarHBondContact O-N 3.18Å; V263-I352 HydrophobicContact CG2-CD1 4.09Å; V263-I352 HydrophobicContact CG2-CG1 3.97Å; P264-I352 WeakPolarHBondContact CD-O 3.5Å; I327-I352 HydrophobicContact CD1-CG2 3.79Å; I335-I352 HydrophobicContact CG2-CB 3.97Å; I335-I352 HydrophobicContact CG2-CD1 4.23Å; I335-I352 HydrophobicContact CG2-CG1 4.42Å; I337-I352 HydrophobicContact CB-CG2 4.48Å; I337-I352 HydrophobicContact CG1-CG2 4.11Å; I337-I352 HydrophobicContact CG2-CG2 4.35Å; I352-N354 WeakPolarHBondContact CD1-O 3.01Å; I352-N354 VanDerWaalsContact CG1-O 3.29Å; I352-N354 WeakPolarHBondContact CG1-O 3.08Å; I352-N354 PolarHBondContact O-N 3.45Å; I352-I356 HydrophobicContact CD1-CD1 4.22Å; I352-I356 HydrophobicContact CD1-CG1 3.76Å
353	E	97.4	Very high	95.6	Very high	75 Å²	75	19.8 Å²	19.8	35%	0.35	10%	0.103	S	C	.	.	S	Bend	trans	-69.4	-19.1	-174.2	69.7	-178.9	174.9	0	0	114.2	I335 A336 Q338	I335-E353 WeakPolarHBondContact CA-OE1 3.48Å; I335-E353 HydrophobicContact CG2-CG 3.71Å; A336-E353 VanDerWaalsContact CB-CD 3.49Å; A336-E353 HydrophobicContact CB-CG 4.17Å; A336-E353 WeakPolarHBondContact CB-OE2 3.38Å; A336-E353 PolarHBondContact N-OE1 3.34Å; A336-E353 PolarHBondContact O-N 3.46Å; Q338-E353 HydrophobicContact CG-CB 4.04Å
354	N	97.4	Very high	95.4	Very high	50 Å²	50	20.3 Å²	20.3	27%	0.267	11%	0.106	S	C	.	.	S	Bend	trans	-157.9	161.2	-173.3	-149.9	-38.3	0	0	0	111.3	I271 K333 I335 I352	I271-N354 WeakPolarHBondContact CD1-OD1 3.45Å; K333-N354 VanDerWaalsContact CE-CG 3.46Å; K333-N354 WeakPolarHBondContact CE-ND2 3.44Å; K333-N354 PolarHBondContact NZ-ND2 3.03Å; K333-N354 PolarHBondContact NZ-OD1 3.28Å; I335-N354 HydrophobicContact CG2-CB 4.05Å; I335-N354 VanDerWaalsContact CG2-O 3.3Å; I335-N354 WeakPolarHBondContact CG2-O 3.5Å; I352-N354 WeakPolarHBondContact CD1-O 3.01Å; I352-N354 VanDerWaalsContact CG1-O 3.29Å; I352-N354 WeakPolarHBondContact CG1-O 3.08Å; I352-N354 PolarHBondContact O-N 3.45Å
355	S	96.6	Very high	95.2	Very high	4 Å²	4	24 Å²	24	3%	0.028	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-65.7	139	176.7	-174.1	0	0	0	0	111.3	I271 H288 K333 I335	I271-S355 VanDerWaalsContact CD1-CB 3.41Å; H288-S355 PolarHBondContact CE1-OG 2.91Å; H288-S355 PolarHBondContact NE2-OG 3.23Å; K333-S355 PolarHBondContact NZ-O 3.45Å; I335-S355 VanDerWaalsContact CD1-O 3.24Å; I335-S355 WeakPolarHBondContact CD1-O 3.28Å
356	I	97.5	Very high	95.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-64.7	128.8	161.5	-57.7	171.4	0	0	0	107.2	F261 Q287 H288 I315 I327 D329 I335 I352	F261-I356 HydrophobicContact CB-CD1 3.92Å; F261-I356 HydrophobicContact CD2-CD1 4.13Å; F261-I356 HydrophobicContact CG-CD1 4.12Å; Q287-I356 HydrophobicContact CG-CB 4.08Å; Q287-I356 HydrophobicContact CG-CG2 3.59Å; H288-I356 PolarHBondContact CE1-O 3.22Å; H288-I356 PolarHBondContact NE2-N 3.32Å; I315-I356 HydrophobicContact CD1-CD1 4.06Å; I315-I356 HydrophobicContact CG2-CD1 4.47Å; I315-I356 HydrophobicContact CG2-CG2 3.63Å; I327-I356 HydrophobicContact CD1-CD1 4.32Å; I327-I356 HydrophobicContact CG2-CG1 4.43Å; D329-I356 HydrophobicContact CB-CG2 3.92Å; I335-I356 HydrophobicContact CD1-CG1 4.27Å; I352-I356 HydrophobicContact CD1-CD1 4.22Å; I352-I356 HydrophobicContact CD1-CG1 3.76Å
357	S	94.9	Very high	95.1	Very high	14 Å²	14	27.5 Å²	27.5	10%	0.098	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-68.6	138.8	179.5	-55.1	0	0	0	0	111.4	D329 C331	D329-S357 WeakPolarHBondContact OD2-CB 3.27Å; D329-S357 PolarHBondContact OD2-N 3.19Å; D329-S357 PolarHBondContact OD2-OG 3.1Å; C331-S357 WeakPolarHBondContact SG-CB 3.5Å; C331-S357 PolarHBondContact SG-OG 3.45Å
358	S	94	Very high	95.1	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.021	14%	0.136	C	C	.	.			trans	-125.2	116.4	172.5	179.4	0	0	0	0	109.3	E360 S361	S358-E360 PolarHBondContact O-N 2.9Å; S358-S361 PolarHBondContact O-N 2.76Å; S358-S361 PolarHBondContact O-OG 3.27Å
359	L	93.5	Very high	95	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.042	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-62.3	-31	177.4	-71.1	178.6	0	0	0	112	I330 S361 M362 A367 C370 L371 I495 K496 F497 H498	I330-L359 HydrophobicContact CD1-CD1 3.53Å; I330-L359 HydrophobicContact CD1-CG 4.3Å; I330-L359 HydrophobicContact CG1-CD1 4.08Å; I330-L359 HydrophobicContact CG2-CD1 4.4Å; I330-L359 HydrophobicContact CG2-CG 4.06Å; L359-S361 PolarHBondContact O-N 3.38Å; L359-S361 VanDerWaalsContact O-N 3.13Å; L359-M362 HydrophobicContact CD2-SD 3.84Å; L359-M362 WeakPolarHBondContact O-CB 3.4Å; L359-M362 PolarHBondContact O-N 3.34Å; L359-A367 HydrophobicContact CD2-CB 3.89Å; L359-C370 HydrophobicContact CD2-CB 3.76Å; L359-C370 WeakPolarHBondContact CD2-SG 3.21Å; L359-L371 HydrophobicContact CD1-CD2 3.74Å; L359-L371 HydrophobicContact CD1-CG 4.26Å; L359-I495 HydrophobicContact CD1-CG2 3.26Å; L359-K496 WeakPolarHBondContact CB-O 3.48Å; L359-F497 HydrophobicContact CB-CB 4.33Å; L359-F497 WeakPolarHBondContact O-CA 3.2Å; L359-F497 WeakPolarHBondContact O-CB 3.47Å; L359-H498 PolarHBondContact O-N 3.41Å
360	E	90.8	Very high	95	Very high	50 Å²	50	31.7 Å²	31.7	23%	0.234	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-61.3	-19.7	174.1	-71	-171.2	-158.1	0	0	113.6	S283 S358 K496 H498	S283-E360 VanDerWaalsContact OG-CB 3.31Å; S283-E360 WeakPolarHBondContact OG-CB 3.19Å; S283-E360 PolarHBondContact OG-OE2 3.27Å; S358-E360 PolarHBondContact O-N 2.9Å; E360-K496 HydrophobicContact CG-CB 3.62Å; E360-K496 WeakPolarHBondContact OE1-CD 3.47Å; E360-H498 VanDerWaalsContact O-CA 3.27Å; E360-H498 WeakPolarHBondContact O-CA 3.32Å; E360-H498 WeakPolarHBondContact O-CB 3.3Å
361	S	89.5	Confident	94.9	Very high	19 Å²	19	31.6 Å²	31.6	13%	0.133	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-92.7	-2.4	174.4	71.1	0	0	0	0	114.7	S358 L359	S358-S361 PolarHBondContact O-N 2.76Å; S358-S361 PolarHBondContact O-OG 3.27Å; L359-S361 PolarHBondContact O-N 3.38Å; L359-S361 VanDerWaalsContact O-N 3.13Å
362	M	90.5	Very high	94.8	Very high	31 Å²	31	32.9 Å²	32.9	15%	0.153	16%	0.162	C	C	.	.	S	Bend	trans	-110.4	134	-172.5	-67.9	177.9	-174.3	0	0	111.2	L359 E366 A367 C370 H498	L359-M362 HydrophobicContact CD2-SD 3.84Å; L359-M362 WeakPolarHBondContact O-CB 3.4Å; L359-M362 PolarHBondContact O-N 3.34Å; M362-E366 WeakPolarHBondContact CA-OE2 3.49Å; M362-E366 HydrophobicContact CB-CB 3.83Å; M362-E366 HydrophobicContact CG-CB 4.12Å; M362-E366 HydrophobicContact SD-CB 4.46Å; M362-A367 HydrophobicContact CB-CB 4.21Å; M362-C370 HydrophobicContact SD-CB 4.03Å; M362-H498 WeakPolarHBondContact O-CB 3.47Å; M362-H498 PolarHBondContact O-N 3.04Å; M362-H498 VanDerWaalsContact O-N 3.16Å
363	K	90.7	Very high	94.5	Very high	132 Å²	132	37.1 Å²	37.1	57%	0.574	18%	0.184	S	C	*	.			trans	-65.5	164.4	167.3	-70.9	-172.1	176.8	-176.3	0	110.1	N365 E366 A367	K363-N365 VanDerWaalsContact C-N 3.29Å; K363-N365 PolarHBondContact O-N 3.2Å; K363-N365 VanDerWaalsContact O-N 3.12Å; K363-E366 PolarHBondContact N-OE2 3.28Å; K363-E366 VanDerWaalsContact N-OE2 3.08Å; K363-E366 PolarHBondContact O-N 2.67Å; K363-A367 PolarHBondContact O-N 3.14Å
364	L	93.1	Very high	94.3	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.063	17%	0.172	C	C	.	.	H	α-helix	trans	-48.5	-47.6	-176.2	179.5	58.5	0	0	0	113.9	E366 A367 L368 M391 L393 I401 F497	L364-E366 VanDerWaalsContact C-N 3.34Å; L364-E366 PolarHBondContact O-N 2.98Å; L364-A367 PolarHBondContact O-N 2.9Å; L364-L368 HydrophobicContact CD1-CD1 3.83Å; L364-L368 HydrophobicContact CD1-CD2 4.19Å; L364-L368 HydrophobicContact CD1-CG 3.74Å; L364-L368 HydrophobicContact CD2-CD1 4.4Å; L364-L368 HydrophobicContact CG-CD1 3.82Å; L364-L368 HydrophobicContact CG-CG 4.18Å; L364-L368 WeakPolarHBondContact O-CB 3.46Å; L364-L368 VanDerWaalsContact O-CG 3.28Å; L364-L368 WeakPolarHBondContact O-CG 3.27Å; L364-L368 PolarHBondContact O-N 3.11Å; L364-M391 HydrophobicContact CD2-CB 4.49Å; L364-L393 HydrophobicContact CB-CD1 3.8Å; L364-L393 HydrophobicContact CB-CG 4.41Å; L364-L393 HydrophobicContact CD2-CD1 3.91Å; L364-L393 HydrophobicContact CD2-CD2 3.83Å; L364-L393 HydrophobicContact CD2-CG 3.95Å; L364-L393 HydrophobicContact CG-CD1 4.37Å; L364-I401 HydrophobicContact CD1-CD1 3.3Å; L364-I401 HydrophobicContact CD2-CD1 3.85Å; L364-I401 HydrophobicContact CG-CD1 4.18Å; L364-F497 HydrophobicContact CB-CE2 3.97Å; L364-F497 HydrophobicContact CD1-CE2 4.21Å; L364-F497 HydrophobicContact CD1-CZ 4.25Å
365	N	93.9	Very high	94	Very high	79 Å²	79	36.7 Å²	36.7	42%	0.422	19%	0.19	S	C	.	.	H	α-helix	trans	-61.6	-42.1	-176.6	-170.2	81	0	0	0	112.6	K363 E369 R387	K363-N365 VanDerWaalsContact C-N 3.29Å; K363-N365 PolarHBondContact O-N 3.2Å; K363-N365 VanDerWaalsContact O-N 3.12Å; N365-E369 PolarHBondContact O-N 3.03Å; N365-E369 VanDerWaalsContact O-N 3.07Å; N365-R387 WeakPolarHBondContact OD1-CG 3.33Å
366	E	93.4	Very high	93.6	Very high	97 Å²	97	41.3 Å²	41.3	45%	0.453	22%	0.223	S	C	.	.	H	α-helix	trans	-69.9	-40.6	177	-65.2	165.5	168.9	0	0	110.8	M362 K363 L364 E369 C370	M362-E366 WeakPolarHBondContact CA-OE2 3.49Å; M362-E366 HydrophobicContact CB-CB 3.83Å; M362-E366 HydrophobicContact CG-CB 4.12Å; M362-E366 HydrophobicContact SD-CB 4.46Å; K363-E366 PolarHBondContact N-OE2 3.28Å; K363-E366 VanDerWaalsContact N-OE2 3.08Å; K363-E366 PolarHBondContact O-N 2.67Å; L364-E366 VanDerWaalsContact C-N 3.34Å; L364-E366 PolarHBondContact O-N 2.98Å; E366-E369 PolarHBondContact O-N 3.37Å; E366-C370 WeakPolarHBondContact O-CB 3.39Å; E366-C370 PolarHBondContact O-N 2.75Å
367	A	95.3	Very high	93.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-44.4	176	0	0	0	0	0	111.4	L359 M362 K363 L364 C370 L371 F497	L359-A367 HydrophobicContact CD2-CB 3.89Å; M362-A367 HydrophobicContact CB-CB 4.21Å; K363-A367 PolarHBondContact O-N 3.14Å; L364-A367 PolarHBondContact O-N 2.9Å; A367-C370 WeakPolarHBondContact O-CB 3.34Å; A367-C370 PolarHBondContact O-N 2.78Å; A367-L371 WeakPolarHBondContact O-CB 3.33Å; A367-L371 WeakPolarHBondContact O-CG 3.43Å; A367-L371 PolarHBondContact O-N 2.93Å; A367-F497 HydrophobicContact CB-CB 4.08Å; A367-F497 HydrophobicContact CB-CD2 4.46Å; A367-F497 HydrophobicContact CB-CG 4.46Å
368	L	97.4	Very high	93.4	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-41.7	176	-68.9	173.3	0	0	0	111.7	L364 C370 L371 E372 A383 M386 R387 L403	L364-L368 HydrophobicContact CD1-CD1 3.83Å; L364-L368 HydrophobicContact CD1-CD2 4.19Å; L364-L368 HydrophobicContact CD1-CG 3.74Å; L364-L368 HydrophobicContact CD2-CD1 4.4Å; L364-L368 HydrophobicContact CG-CD1 3.82Å; L364-L368 HydrophobicContact CG-CG 4.18Å; L364-L368 WeakPolarHBondContact O-CB 3.46Å; L364-L368 VanDerWaalsContact O-CG 3.28Å; L364-L368 WeakPolarHBondContact O-CG 3.27Å; L364-L368 PolarHBondContact O-N 3.11Å; L368-C370 VanDerWaalsContact C-N 3.35Å; L368-C370 PolarHBondContact O-N 2.61Å; L368-L371 PolarHBondContact O-N 3.03Å; L368-E372 VanDerWaalsContact O-CB 3.25Å; L368-E372 WeakPolarHBondContact O-CB 3.19Å; L368-E372 PolarHBondContact O-N 3.12Å; L368-A383 HydrophobicContact CB-CB 4.48Å; L368-A383 HydrophobicContact CD2-CB 4.35Å; L368-M386 HydrophobicContact CD1-CB 3.64Å; L368-M386 HydrophobicContact CD2-CB 4.46Å; L368-R387 HydrophobicContact CB-CB 4.38Å; L368-R387 HydrophobicContact CD1-CB 4.41Å; L368-L403 HydrophobicContact CD2-CD1 3.95Å; L368-L403 HydrophobicContact CD2-CD2 4.36Å
369	E	96.8	Very high	93.5	Very high	79 Å²	79	43.9 Å²	43.9	37%	0.369	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-43	174.5	176.1	162.3	-134.9	0	0	112.2	N365 E366 E372 N373 R387	N365-E369 PolarHBondContact O-N 3.03Å; N365-E369 VanDerWaalsContact O-N 3.07Å; E366-E369 PolarHBondContact O-N 3.37Å; E369-E372 PolarHBondContact O-N 2.82Å; E369-N373 PolarHBondContact O-N 2.59Å; E369-N373 PolarHBondContact O-ND2 2.9Å; E369-R387 IonicContact OE1-CZ 3.92Å; E369-R387 IonicContact OE1-NH1 3.48Å; E369-R387 PolarHBondContact OE1-NH1 3.36Å; E369-R387 IonicContact OE2-NH1 2.56Å
370	C	96.5	Very high	93.7	Very high	8 Å²	8	49.8 Å²	49.8	5%	0.054	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-48.6	173.7	167.6	0	0	0	0	111.8	C331 L359 M362 E366 A367 L368 N373	C331-C370 WeakPolarHBondContact CA-SG 3.14Å; C331-C370 HydrophobicContact CB-CB 3.84Å; C331-C370 WeakPolarHBondContact CB-SG 3.37Å; C331-C370 WeakPolarHBondContact SG-CB 3.45Å; C331-C370 CovalentContact SG-SG 2.01Å; C331-C370 PolarHBondContact SG-SG 3.17Å; L359-C370 HydrophobicContact CD2-CB 3.76Å; L359-C370 WeakPolarHBondContact CD2-SG 3.21Å; M362-C370 HydrophobicContact SD-CB 4.03Å; E366-C370 WeakPolarHBondContact O-CB 3.39Å; E366-C370 PolarHBondContact O-N 2.75Å; A367-C370 WeakPolarHBondContact O-CB 3.34Å; A367-C370 PolarHBondContact O-N 2.78Å; L368-C370 VanDerWaalsContact C-N 3.35Å; L368-C370 PolarHBondContact O-N 2.61Å; C370-N373 PolarHBondContact O-N 3.34Å
371	L	96.8	Very high	94	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.9	-38.7	-179.4	-65.5	171.7	0	0	0	112.3	L359 A367 L368 N373 N374 L377 V379 L403 I495 I502	L359-L371 HydrophobicContact CD1-CD2 3.74Å; L359-L371 HydrophobicContact CD1-CG 4.26Å; A367-L371 WeakPolarHBondContact O-CB 3.33Å; A367-L371 WeakPolarHBondContact O-CG 3.43Å; A367-L371 PolarHBondContact O-N 2.93Å; L368-L371 PolarHBondContact O-N 3.03Å; L371-N373 PolarHBondContact O-N 3.34Å; L371-N374 PolarHBondContact O-N 2.97Å; L371-N374 VanDerWaalsContact O-N 3.13Å; L371-L377 HydrophobicContact CD2-CD1 3.32Å; L371-V379 HydrophobicContact CB-CG2 4.09Å; L371-L403 HydrophobicContact CD1-CD2 3.9Å; L371-I495 HydrophobicContact CD2-CD1 4.07Å; L371-I502 HydrophobicContact CD1-CD1 3.62Å
372	E	96.4	Very high	94.3	Very high	27 Å²	27	49.4 Å²	49.4	13%	0.126	26%	0.262	C	S	.	.	H	α-helix	trans	-56	-39.5	175.1	-176.5	-174.7	166.6	0	0	111.4	L368 E369 N374 K380 A383 N384 R387	L368-E372 VanDerWaalsContact O-CB 3.25Å; L368-E372 WeakPolarHBondContact O-CB 3.19Å; L368-E372 PolarHBondContact O-N 3.12Å; E369-E372 PolarHBondContact O-N 2.82Å; E372-N374 VanDerWaalsContact C-N 3.26Å; E372-N374 PolarHBondContact O-N 3.08Å; E372-K380 HydrophobicContact CG-CG 4.09Å; E372-A383 HydrophobicContact CB-CB 3.84Å; E372-N384 HydrophobicContact CG-CB 4.27Å; E372-R387 IonicContact OE1-NH2 2.68Å; E372-R387 IonicContact OE2-CZ 3.37Å; E372-R387 IonicContact OE2-NE 3.18Å; E372-R387 PolarHBondContact OE2-NE 2.83Å; E372-R387 IonicContact OE2-NH2 3.45Å; E372-R387 PolarHBondContact OE2-NH2 3.45Å
373	N	93	Very high	94.7	Very high	89 Å²	89	48 Å²	48	48%	0.476	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.9	-177.9	-72.2	-41.5	0	0	0	114.2	N332 E369 C370 L371 P375	N332-N373 WeakPolarHBondContact CB-O 3.46Å; N332-N373 PolarHBondContact ND2-O 3.37Å; E369-N373 PolarHBondContact O-N 2.59Å; E369-N373 PolarHBondContact O-ND2 2.9Å; C370-N373 PolarHBondContact O-N 3.34Å; L371-N373 PolarHBondContact O-N 3.34Å; N373-P375 WeakPolarHBondContact O-CD 3.5Å
374	N	93.3	Very high	95	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.08	24%	0.238	C	C	.	.			trans	-108.8	99.1	178.2	-169.9	-19.7	0	0	0	112.3	I330 N332 L371 E372 S376 L377	I330-N374 WeakPolarHBondContact O-CB 3.41Å; I330-N374 PolarHBondContact O-ND2 3.11Å; N332-N374 HydrophobicContact CB-CB 4.14Å; L371-N374 PolarHBondContact O-N 2.97Å; L371-N374 VanDerWaalsContact O-N 3.13Å; E372-N374 VanDerWaalsContact C-N 3.26Å; E372-N374 PolarHBondContact O-N 3.08Å; N374-S376 PolarHBondContact O-N 3.11Å; N374-S376 VanDerWaalsContact O-N 3.12Å; N374-S376 WeakPolarHBondContact OD1-CB 3.47Å; N374-S376 PolarHBondContact OD1-N 3.15Å; N374-S376 PolarHBondContact OD1-OG 3.48Å; N374-L377 HydrophobicContact CB-CD1 4.03Å; N374-L377 HydrophobicContact CB-CG 4.26Å; N374-L377 PolarHBondContact O-N 3.37Å
375	P	90.7	Very high	95.1	Very high	102 Å²	102	44 Å²	44	66%	0.662	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-61.5	-24.9	-179	-22.1	33	0	0	0	114	N373 L377 G378	N373-P375 WeakPolarHBondContact O-CD 3.5Å; P375-L377 PolarHBondContact O-N 2.76Å; P375-G378 PolarHBondContact O-N 3.15Å
376	S	88.7	Confident	95.2	Very high	101 Å²	101	40.4 Å²	40.4	71%	0.706	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-70.9	-18.6	-177	72.6	0	0	0	0	113.5	N374	N374-S376 PolarHBondContact O-N 3.11Å; N374-S376 VanDerWaalsContact O-N 3.12Å; N374-S376 WeakPolarHBondContact OD1-CB 3.47Å; N374-S376 PolarHBondContact OD1-N 3.15Å; N374-S376 PolarHBondContact OD1-OG 3.48Å
377	L	91.3	Very high	95.3	Very high	47 Å²	47	38.6 Å²	38.6	25%	0.246	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-86.9	-21.3	177	-62.2	177.9	0	0	0	112.2	L371 N374 P375 V379 I504	L371-L377 HydrophobicContact CD2-CD1 3.32Å; N374-L377 HydrophobicContact CB-CD1 4.03Å; N374-L377 HydrophobicContact CB-CG 4.26Å; N374-L377 PolarHBondContact O-N 3.37Å; P375-L377 PolarHBondContact O-N 2.76Å; L377-V379 HydrophobicContact CB-CG2 3.95Å; L377-V379 PolarHBondContact O-N 3.33Å; L377-I504 HydrophobicContact CB-CD1 4.33Å; L377-I504 HydrophobicContact CD2-CD1 4.36Å
378	G	95.6	Very high	95.3	Very high	22 Å²	22	45.3 Å²	45.3	23%	0.227	24%	0.238	C	C	.	.			trans	58.6	44.1	177.3	0	0	0	0	0	113.2	P375 N405 D406	P375-G378 PolarHBondContact O-N 3.15Å; G378-N405 CarbonylContact O-C 3.55Å; G378-N405 WeakPolarHBondContact O-CA 2.9Å; G378-N405 WeakPolarHBondContact O-CB 3.48Å; G378-D406 VanDerWaalsContact C-CG 3.46Å; G378-D406 WeakPolarHBondContact CA-OD2 3.26Å; G378-D406 VanDerWaalsContact O-CG 3.28Å; G378-D406 PolarHBondContact O-N 3.03Å
379	V	97.3	Very high	95.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	25%	0.246	C	C	.	.			trans	-125.9	18.2	-179	-67.6	0	0	0	0	112.5	L371 L377 Q381 A382 A383 L403 D406 I504	L371-V379 HydrophobicContact CB-CG2 4.09Å; L377-V379 HydrophobicContact CB-CG2 3.95Å; L377-V379 PolarHBondContact O-N 3.33Å; V379-Q381 VanDerWaalsContact C-N 3.29Å; V379-Q381 PolarHBondContact O-N 2.84Å; V379-A382 PolarHBondContact O-N 3.33Å; V379-A383 VanDerWaalsContact O-CB 3.24Å; V379-A383 WeakPolarHBondContact O-CB 3.32Å; V379-A383 PolarHBondContact O-N 3.2Å; V379-L403 HydrophobicContact CB-CD2 3.78Å; V379-L403 HydrophobicContact CB-CG 4.08Å; V379-L403 HydrophobicContact CG1-CD2 4.01Å; V379-L403 HydrophobicContact CG1-CG 4.15Å; V379-L403 HydrophobicContact CG2-CD2 3.85Å; V379-D406 PolarHBondContact N-OD2 3.07Å; V379-I504 HydrophobicContact CG1-CB 4.44Å; V379-I504 HydrophobicContact CG1-CD1 3.88Å; V379-I504 HydrophobicContact CG1-CG1 3.97Å; V379-I504 HydrophobicContact CG1-CG2 3.67Å
380	K	97.2	Very high	94.9	Very high	132 Å²	132	50.7 Å²	50.7	57%	0.574	27%	0.266	S	S	*	.	H	α-helix	trans	-58.6	-42.1	-170.6	-177.5	177	-179.1	176.6	0	111.7	E372 N384 D406	E372-K380 HydrophobicContact CG-CG 4.09Å; K380-N384 VanDerWaalsContact O-CB 3.31Å; K380-N384 WeakPolarHBondContact O-CB 3.41Å; K380-N384 PolarHBondContact O-N 3.44Å; K380-D406 PolarHBondContact N-OD1 3.44Å; K380-D406 PolarHBondContact N-OD2 3.18Å
381	Q	96.5	Very high	94.5	Very high	62 Å²	62	51.9 Å²	51.9	29%	0.29	27%	0.271	S	S	.	.	H	α-helix	trans	-67.2	-53.7	-177.9	-178.6	174.6	-15	0	0	111.3	V379 A383 N384 E385 D406 F409	V379-Q381 VanDerWaalsContact C-N 3.29Å; V379-Q381 PolarHBondContact O-N 2.84Å; Q381-A383 VanDerWaalsContact C-N 3.35Å; Q381-A383 PolarHBondContact O-N 3.29Å; Q381-N384 PolarHBondContact O-N 2.74Å; Q381-E385 HydrophobicContact CG-CG 4.49Å; Q381-E385 PolarHBondContact NE2-OE1 2.67Å; Q381-E385 VanDerWaalsContact O-CG 3.31Å; Q381-E385 WeakPolarHBondContact O-CG 3.42Å; Q381-E385 PolarHBondContact O-N 2.94Å; Q381-D406 WeakPolarHBondContact CB-OD1 3.43Å; Q381-D406 PolarHBondContact N-OD1 3.03Å; Q381-F409 HydrophobicContact CB-CD2 4.14Å; Q381-F409 HydrophobicContact CB-CE2 3.89Å; Q381-F409 HydrophobicContact CG-CD2 4.07Å; Q381-F409 HydrophobicContact CG-CE2 3.89Å; Q381-F409 HydrophobicContact CG-CG 4.49Å; Q381-F409 HydrophobicContact CG-CZ 4.13Å
382	A	97.1	Very high	93.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-40.8	-177	0	0	0	0	0	111.9	V379 E385 M386 L403 S404 F409 Y429	V379-A382 PolarHBondContact O-N 3.33Å; A382-E385 PolarHBondContact O-N 3.37Å; A382-M386 WeakPolarHBondContact O-CB 3.46Å; A382-M386 VanDerWaalsContact O-CG 3.32Å; A382-M386 WeakPolarHBondContact O-CG 3.34Å; A382-M386 PolarHBondContact O-N 3.42Å; A382-L403 HydrophobicContact CB-CD1 3.63Å; A382-L403 HydrophobicContact CB-CG 4.26Å; A382-S404 WeakPolarHBondContact CB-O 3.45Å; A382-F409 HydrophobicContact CB-CE2 4.04Å; A382-F409 HydrophobicContact CB-CZ 3.85Å; A382-Y429 HydrophobicContact CB-CE1 4.31Å
383	A	97.5	Very high	93.3	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-47	-179.8	0	0	0	0	0	111.9	L368 E372 V379 Q381 R387 L403	L368-A383 HydrophobicContact CB-CB 4.48Å; L368-A383 HydrophobicContact CD2-CB 4.35Å; E372-A383 HydrophobicContact CB-CB 3.84Å; V379-A383 VanDerWaalsContact O-CB 3.24Å; V379-A383 WeakPolarHBondContact O-CB 3.32Å; V379-A383 PolarHBondContact O-N 3.2Å; Q381-A383 VanDerWaalsContact C-N 3.35Å; Q381-A383 PolarHBondContact O-N 3.29Å; A383-R387 VanDerWaalsContact O-CB 3.26Å; A383-R387 WeakPolarHBondContact O-CB 3.2Å; A383-R387 PolarHBondContact O-N 3.5Å; A383-L403 HydrophobicContact CB-CD1 4.41Å
384	N	97.4	Very high	92.4	Very high	42 Å²	42	56.1 Å²	56.1	23%	0.225	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-45.8	175.8	177.7	35.9	0	0	0	112.4	E372 K380 Q381 R387 K388	E372-N384 HydrophobicContact CG-CB 4.27Å; K380-N384 VanDerWaalsContact O-CB 3.31Å; K380-N384 WeakPolarHBondContact O-CB 3.41Å; K380-N384 PolarHBondContact O-N 3.44Å; Q381-N384 PolarHBondContact O-N 2.74Å; N384-R387 PolarHBondContact O-N 3.43Å; N384-K388 PolarHBondContact ND2-NZ 3.07Å; N384-K388 WeakPolarHBondContact O-CG 3.4Å; N384-K388 PolarHBondContact O-N 2.91Å; N384-K388 WeakPolarHBondContact OD1-CE 3.36Å; N384-K388 PolarHBondContact OD1-NZ 2.96Å
385	E	95.8	Very high	91.2	Very high	20 Å²	20	62.6 Å²	62.6	9%	0.093	35%	0.346	C	S	.	.	H	α-helix	trans	-67.9	-43.1	-178.7	-67.2	-179.6	176	0	0	112.1	Q381 A382 R387 K388 C389 K425 Y429	Q381-E385 HydrophobicContact CG-CG 4.49Å; Q381-E385 PolarHBondContact NE2-OE1 2.67Å; Q381-E385 VanDerWaalsContact O-CG 3.31Å; Q381-E385 WeakPolarHBondContact O-CG 3.42Å; Q381-E385 PolarHBondContact O-N 2.94Å; A382-E385 PolarHBondContact O-N 3.37Å; E385-R387 VanDerWaalsContact C-N 3.34Å; E385-R387 PolarHBondContact O-N 3.28Å; E385-K388 PolarHBondContact O-N 3.16Å; E385-C389 PolarHBondContact O-N 2.76Å; E385-C389 PolarHBondContact O-SG 3.31Å; E385-C389 VanDerWaalsContact O-SG 3.34Å; E385-K425 HydrophobicContact CG-CD 4.42Å; E385-K425 IonicContact OE1-NZ 3.63Å; E385-K425 PolarHBondContact OE1-NZ 2.88Å; E385-K425 IonicContact OE2-NZ 3.29Å; E385-Y429 HydrophobicContact CB-CD2 4.32Å; E385-Y429 HydrophobicContact CB-CE2 3.36Å; E385-Y429 HydrophobicContact CG-CE2 4.42Å; E385-Y429 WeakPolarHBondContact OE2-CE2 3.29Å; E385-Y429 PolarHBondContact OE2-OH 2.89Å
386	M	95.9	Very high	90.2	Very high	2 Å²	2	59 Å²	59	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-42	174.7	-74.4	-170	90.4	0	0	112.1	L368 A382 K388 C389 M391 I401 L403 Y429 H432	L368-M386 HydrophobicContact CD1-CB 3.64Å; L368-M386 HydrophobicContact CD2-CB 4.46Å; A382-M386 WeakPolarHBondContact O-CB 3.46Å; A382-M386 VanDerWaalsContact O-CG 3.32Å; A382-M386 WeakPolarHBondContact O-CG 3.34Å; A382-M386 PolarHBondContact O-N 3.42Å; M386-K388 VanDerWaalsContact C-N 3.3Å; M386-K388 PolarHBondContact O-N 2.9Å; M386-C389 WeakPolarHBondContact O-CB 3.35Å; M386-C389 PolarHBondContact O-N 3.06Å; M386-C389 VanDerWaalsContact O-N 3.08Å; M386-M391 HydrophobicContact CE-SD 3.75Å; M386-I401 HydrophobicContact CE-CG2 3.83Å; M386-I401 HydrophobicContact SD-CG2 4.24Å; M386-L403 HydrophobicContact SD-CD1 3.65Å; M386-Y429 HydrophobicContact CB-CD1 4.46Å; M386-Y429 HydrophobicContact CB-CG 4.44Å; M386-Y429 HydrophobicContact CE-CD1 4.06Å; M386-Y429 HydrophobicContact CE-CG 4.41Å; M386-Y429 HydrophobicContact CG-CD1 3.09Å; M386-Y429 HydrophobicContact CG-CD2 3.98Å; M386-Y429 HydrophobicContact CG-CE1 3.48Å; M386-Y429 VanDerWaalsContact CG-CE1 3.48Å; M386-Y429 HydrophobicContact CG-CE2 4.36Å; M386-Y429 HydrophobicContact CG-CG 3.37Å; M386-Y429 HydrophobicContact SD-CD1 3.69Å; M386-Y429 HydrophobicContact SD-CE1 4.15Å; M386-Y429 HydrophobicContact SD-CG 4.38Å; M386-H432 HydrophobicContact CE-CB 4.49Å
387	R	95.4	Very high	89.6	Confident	59 Å²	59	59.8 Å²	59.8	22%	0.223	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-41.8	179.2	-164.7	171.6	58.5	140	-13.2	111.7	N365 L368 E369 E372 A383 N384 E385 C389 Q390	N365-R387 WeakPolarHBondContact OD1-CG 3.33Å; L368-R387 HydrophobicContact CB-CB 4.38Å; L368-R387 HydrophobicContact CD1-CB 4.41Å; E369-R387 IonicContact OE1-CZ 3.92Å; E369-R387 IonicContact OE1-NH1 3.48Å; E369-R387 PolarHBondContact OE1-NH1 3.36Å; E369-R387 IonicContact OE2-NH1 2.56Å; E372-R387 IonicContact OE1-NH2 2.68Å; E372-R387 IonicContact OE2-CZ 3.37Å; E372-R387 IonicContact OE2-NE 3.18Å; E372-R387 PolarHBondContact OE2-NE 2.83Å; E372-R387 IonicContact OE2-NH2 3.45Å; E372-R387 PolarHBondContact OE2-NH2 3.45Å; A383-R387 VanDerWaalsContact O-CB 3.26Å; A383-R387 WeakPolarHBondContact O-CB 3.2Å; A383-R387 PolarHBondContact O-N 3.5Å; N384-R387 PolarHBondContact O-N 3.43Å; E385-R387 VanDerWaalsContact C-N 3.34Å; E385-R387 PolarHBondContact O-N 3.28Å; R387-C389 PolarHBondContact O-N 2.81Å; R387-Q390 PolarHBondContact O-N 2.91Å
388	K	96	Very high	89.2	Confident	141 Å²	141	60.6 Å²	60.6	61%	0.613	32%	0.32	S	S	*	.	H	α-helix	trans	-64	-23.9	177	-73.7	170.6	178.4	168	0	113.8	N384 E385 M386 Q390	N384-K388 PolarHBondContact ND2-NZ 3.07Å; N384-K388 WeakPolarHBondContact O-CG 3.4Å; N384-K388 PolarHBondContact O-N 2.91Å; N384-K388 WeakPolarHBondContact OD1-CE 3.36Å; N384-K388 PolarHBondContact OD1-NZ 2.96Å; E385-K388 PolarHBondContact O-N 3.16Å; M386-K388 VanDerWaalsContact C-N 3.3Å; M386-K388 PolarHBondContact O-N 2.9Å; K388-Q390 VanDerWaalsContact C-N 3.26Å; K388-Q390 PolarHBondContact O-N 3.32Å
389	C	94.7	Very high	89	Confident	28 Å²	28	59.5 Å²	59.5	19%	0.189	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-7.7	178.4	-63.5	0	0	0	0	114	E385 M386 R387 M391 C426	E385-C389 PolarHBondContact O-N 2.76Å; E385-C389 PolarHBondContact O-SG 3.31Å; E385-C389 VanDerWaalsContact O-SG 3.34Å; M386-C389 WeakPolarHBondContact O-CB 3.35Å; M386-C389 PolarHBondContact O-N 3.06Å; M386-C389 VanDerWaalsContact O-N 3.08Å; R387-C389 PolarHBondContact O-N 2.81Å; C389-M391 VanDerWaalsContact C-N 3.27Å; C389-M391 HydrophobicContact CB-CG 3.94Å; C389-M391 PolarHBondContact O-N 3.44Å; C389-C426 WeakPolarHBondContact CA-SG 3.37Å; C389-C426 HydrophobicContact CB-CB 3.77Å; C389-C426 WeakPolarHBondContact CB-SG 3.46Å; C389-C426 WeakPolarHBondContact SG-CA 3.41Å; C389-C426 WeakPolarHBondContact SG-CB 3.22Å; C389-C426 CovalentContact SG-SG 2.05Å; C389-C426 PolarHBondContact SG-SG 2.98Å
390	Q	90	Very high	88.8	Confident	167 Å²	167	59.5 Å²	59.5	78%	0.78	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	47.5	175.9	-59.6	-178	11.2	0	0	113.2	R387 K388 N392	R387-Q390 PolarHBondContact O-N 2.91Å; K388-Q390 VanDerWaalsContact C-N 3.26Å; K388-Q390 PolarHBondContact O-N 3.32Å; Q390-N392 PolarHBondContact O-N 3.17Å
391	M	88	Confident	88.7	Confident	32 Å²	32	53.2 Å²	53.2	16%	0.158	28%	0.281	C	S	.	.			trans	-65.3	133.9	-172.4	-53.5	-177.4	84.3	0	0	111.3	L364 M386 C389 Y429 L430 L433	L364-M391 HydrophobicContact CD2-CB 4.49Å; M386-M391 HydrophobicContact CE-SD 3.75Å; C389-M391 VanDerWaalsContact C-N 3.27Å; C389-M391 HydrophobicContact CB-CG 3.94Å; C389-M391 PolarHBondContact O-N 3.44Å; M391-Y429 VanDerWaalsContact CE-C 3.4Å; M391-Y429 VanDerWaalsContact CE-O 3.28Å; M391-Y429 WeakPolarHBondContact CE-O 3.4Å; M391-L430 VanDerWaalsContact CE-CA 3.48Å; M391-L430 HydrophobicContact CE-CB 4.26Å; M391-L430 HydrophobicContact CE-CD2 3.6Å; M391-L430 HydrophobicContact CE-CG 3.88Å; M391-L433 HydrophobicContact CE-CB 4.11Å; M391-L433 HydrophobicContact CE-CD2 4.16Å
392	N	83.1	Confident	88.8	Confident	142 Å²	142	50.2 Å²	50.2	76%	0.759	27%	0.267	S	S	*	.			trans	-96.4	114.6	173.8	-174.2	-1.7	0	0	0	109.8	Q390 G394	Q390-N392 PolarHBondContact O-N 3.17Å; N392-G394 VanDerWaalsContact C-N 3.27Å; N392-G394 PolarHBondContact O-N 3.29Å; N392-G394 PolarHBondContact OD1-N 3.33Å
393	L	84.3	Confident	88.8	Confident	15 Å²	15	50.2 Å²	50.2	8%	0.079	27%	0.267	C	S	.	.			trans	-79.4	-7.8	179	-62.4	-169.9	0	0	0	113.7	L364 N399 I401 L433 F497 D499	L364-L393 HydrophobicContact CB-CD1 3.8Å; L364-L393 HydrophobicContact CB-CG 4.41Å; L364-L393 HydrophobicContact CD2-CD1 3.91Å; L364-L393 HydrophobicContact CD2-CD2 3.83Å; L364-L393 HydrophobicContact CD2-CG 3.95Å; L364-L393 HydrophobicContact CG-CD1 4.37Å; L393-N399 HydrophobicContact CD1-CB 4.44Å; L393-I401 HydrophobicContact CD1-CD1 4.44Å; L393-L433 HydrophobicContact CD2-CD1 3.36Å; L393-L433 HydrophobicContact CD2-CD2 3.35Å; L393-L433 HydrophobicContact CD2-CG 3.99Å; L393-F497 HydrophobicContact CD1-CE2 3.85Å; L393-F497 HydrophobicContact CD1-CZ 3.8Å; L393-D499 HydrophobicContact CD1-CB 3.73Å
394	G	74.3	Confident	88.8	Confident	48 Å²	48	50.2 Å²	50.2	50%	0.495	27%	0.267	S	S	.	.			trans	67.8	-157.2	-170.2	0	0	0	0	0	112.1	N392	N392-G394 VanDerWaalsContact C-N 3.27Å; N392-G394 PolarHBondContact O-N 3.29Å; N392-G394 PolarHBondContact OD1-N 3.33Å
395	T	67.9	Low	88.7	Confident	151 Å²	151	49.9 Å²	49.9	93%	0.926	27%	0.265	S	S	*	.	S	Bend	trans	-100.6	111.2	178.3	53.9	0	0	0	0	109.6
396	G	71.4	Confident	88.7	Confident	28 Å²	28	51.4 Å²	51.4	29%	0.289	27%	0.274	S	S	.	.			trans	164	156.3	177	0	0	0	0	0	112.8	N399	G396-N399 PolarHBondContact O-ND2 3.26Å
397	R	74.6	Confident	88.6	Confident	117 Å²	117	53.6 Å²	53.6	44%	0.442	30%	0.298	S	S	.	.	S	Bend	trans	-103.8	9	171.7	-64.8	-169.4	179.3	148.5	3.9	112.6	E279 K446 D499 G500	E279-R397 VanDerWaalsContact CD-NH1 3.26Å; E279-R397 VanDerWaalsContact CD-NH2 3.28Å; E279-R397 IonicContact OE1-CZ 3.37Å; E279-R397 IonicContact OE1-NH1 2.82Å; E279-R397 PolarHBondContact OE1-NH1 3Å; E279-R397 IonicContact OE1-NH2 3.49Å; E279-R397 PolarHBondContact OE1-NH2 3.34Å; E279-R397 IonicContact OE2-CZ 3.59Å; E279-R397 IonicContact OE2-NH1 3.32Å; E279-R397 PolarHBondContact OE2-NH1 2.89Å; E279-R397 IonicContact OE2-NH2 2.84Å; E279-R397 PolarHBondContact OE2-NH2 2.91Å; R397-K446 WeakPolarHBondContact O-CE 3.4Å; R397-K446 PolarHBondContact O-NZ 3.45Å; R397-D499 CarbonylContact C-O 3.58Å; R397-D499 WeakPolarHBondContact CA-O 2.75Å; R397-G500 WeakPolarHBondContact O-CA 3.36Å
398	D	82.5	Confident	88.5	Confident	63 Å²	63	50.9 Å²	50.9	34%	0.337	29%	0.287	S	S	.	.			trans	-90.4	2.8	-171.9	69.6	-36.1	0	0	0	113.5	K446	D398-K446 VanDerWaalsContact CA-CE 3.47Å; D398-K446 PolarHBondContact O-NZ 3.02Å
399	N	91.6	Very high	88.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	133.5	175.8	-56.2	-72	0	0	0	113.7	L393 G396 L433 K446 D499 G500 V501	L393-N399 HydrophobicContact CD1-CB 4.44Å; G396-N399 PolarHBondContact O-ND2 3.26Å; N399-L433 HydrophobicContact CB-CD1 4.17Å; N399-K446 VanDerWaalsContact N-NZ 3.19Å; N399-K446 PolarHBondContact O-NZ 2.87Å; N399-D499 WeakPolarHBondContact CB-O 3.26Å; N399-D499 PolarHBondContact ND2-O 3.29Å; N399-G500 WeakPolarHBondContact O-CA 3.43Å; N399-V501 PolarHBondContact O-N 2.9Å
400	V	93.6	Very high	88.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.6	169.4	176.3	0	0	0	0	107.7	L434 K446 F449 F455 F484 V501	V400-L434 HydrophobicContact CB-CB 4.11Å; V400-L434 PolarHBondContact N-O 3.39Å; V400-L434 WeakPolarHBondContact O-CA 3.14Å; V400-L434 VanDerWaalsContact O-CB 3.31Å; V400-L434 WeakPolarHBondContact O-CB 3.33Å; V400-L434 PolarHBondContact O-N 2.99Å; V400-K446 HydrophobicContact CG2-CD 3.84Å; V400-F449 HydrophobicContact CG2-CZ 4.28Å; V400-F455 HydrophobicContact CB-CE1 4.35Å; V400-F455 HydrophobicContact CG2-CE1 3.97Å; V400-F484 HydrophobicContact CG1-CE1 4.09Å; V400-F484 HydrophobicContact CG1-CZ 4.21Å; V400-V501 HydrophobicContact CB-CG2 4.34Å; V400-V501 HydrophobicContact CG1-CG2 4.36Å; V400-V501 HydrophobicContact CG2-CG2 3.83Å
401	I	95.8	Very high	87.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.2	-174.8	-62.9	178.3	0	0	0	109.5	L364 M386 L393 H432 L433 F497 V501 I502 H503	L364-I401 HydrophobicContact CD1-CD1 3.3Å; L364-I401 HydrophobicContact CD2-CD1 3.85Å; L364-I401 HydrophobicContact CG-CD1 4.18Å; M386-I401 HydrophobicContact CE-CG2 3.83Å; M386-I401 HydrophobicContact SD-CG2 4.24Å; L393-I401 HydrophobicContact CD1-CD1 4.44Å; I401-H432 WeakPolarHBondContact CA-O 3.47Å; I401-L433 HydrophobicContact CD1-CD1 4.33Å; I401-L433 HydrophobicContact CG1-CD1 3.81Å; I401-F497 HydrophobicContact CD1-CE1 3.76Å; I401-F497 HydrophobicContact CD1-CZ 3.55Å; I401-F497 HydrophobicContact CG1-CE1 4.42Å; I401-F497 HydrophobicContact CG1-CZ 4.5Å; I401-V501 PolarHBondContact N-O 2.88Å; I401-I502 HydrophobicContact CB-CG1 4.01Å; I401-I502 HydrophobicContact CD1-CG1 4.46Å; I401-I502 HydrophobicContact CG2-CG1 4.32Å; I401-I502 CarbonylContact O-C 3.57Å; I401-I502 WeakPolarHBondContact O-CA 3.24Å; I401-H503 PolarHBondContact O-N 3.11Å
402	L	97	Very high	87.7	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	104.8	172.8	-52.1	-174.6	0	0	0	109.5	H432 L434 F484 A487 H503 V505 N509	L402-H432 HydrophobicContact CB-CB 4.07Å; L402-H432 PolarHBondContact N-O 2.93Å; L402-H432 WeakPolarHBondContact O-CB 3.44Å; L402-H432 PolarHBondContact O-ND1 3.17Å; L402-L434 HydrophobicContact CD1-CD1 3.93Å; L402-L434 HydrophobicContact CD2-CD1 4.15Å; L402-L434 HydrophobicContact CG-CD1 3.94Å; L402-L434 HydrophobicContact CG-CG 4.45Å; L402-F484 HydrophobicContact CD1-CB 3.64Å; L402-F484 HydrophobicContact CD1-CG 4.14Å; L402-F484 HydrophobicContact CD2-CB 4.02Å; L402-F484 HydrophobicContact CD2-CD1 4Å; L402-F484 HydrophobicContact CD2-CD2 3.48Å; L402-F484 VanDerWaalsContact CD2-CD2 3.48Å; L402-F484 HydrophobicContact CD2-CE1 4.31Å; L402-F484 HydrophobicContact CD2-CE2 3.82Å; L402-F484 HydrophobicContact CD2-CG 3.58Å; L402-F484 HydrophobicContact CD2-CZ 4.22Å; L402-F484 HydrophobicContact CG-CB 4.49Å; L402-F484 HydrophobicContact CG-CG 4.49Å; L402-A487 HydrophobicContact CD1-CB 4.18Å; L402-H503 HydrophobicContact CD2-CB 4.23Å; L402-V505 HydrophobicContact CB-CG1 4.33Å; L402-V505 HydrophobicContact CB-CG2 4.19Å; L402-V505 HydrophobicContact CD2-CG1 4.14Å; L402-N509 HydrophobicContact CD1-CB 4.46Å
403	L	97.6	Very high	87.7	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	102.2	179	-171.2	67.3	0	0	0	109.9	L368 L371 V379 A382 A383 M386 N405 I502 H503 I504 V505	L368-L403 HydrophobicContact CD2-CD1 3.95Å; L368-L403 HydrophobicContact CD2-CD2 4.36Å; L371-L403 HydrophobicContact CD1-CD2 3.9Å; V379-L403 HydrophobicContact CB-CD2 3.78Å; V379-L403 HydrophobicContact CB-CG 4.08Å; V379-L403 HydrophobicContact CG1-CD2 4.01Å; V379-L403 HydrophobicContact CG1-CG 4.15Å; V379-L403 HydrophobicContact CG2-CD2 3.85Å; A382-L403 HydrophobicContact CB-CD1 3.63Å; A382-L403 HydrophobicContact CB-CG 4.26Å; A383-L403 HydrophobicContact CB-CD1 4.41Å; M386-L403 HydrophobicContact SD-CD1 3.65Å; L403-N405 PolarHBondContact O-N 3.44Å; L403-I502 HydrophobicContact CB-CG2 3.55Å; L403-I502 HydrophobicContact CD2-CG2 4.04Å; L403-I502 HydrophobicContact CG-CG2 4.46Å; L403-H503 PolarHBondContact N-O 2.94Å; L403-I504 CarbonylContact O-C 3.15Å; L403-I504 VanDerWaalsContact O-CA 3.24Å; L403-I504 WeakPolarHBondContact O-CA 3.48Å; L403-V505 PolarHBondContact O-N 3.08Å
404	S	97.2	Very high	87.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	135.8	-179.2	-61	0	0	0	0	112	A382 H432 V505	A382-S404 WeakPolarHBondContact CB-O 3.45Å; S404-H432 PolarHBondContact OG-CE1 2.78Å; S404-V505 CarbonylContact C-O 3.59Å; S404-V505 WeakPolarHBondContact CA-O 3.44Å
405	N	96.6	Very high	88.4	Confident	34 Å²	34	43 Å²	43	18%	0.182	23%	0.229	C	C	.	.			trans	-69.9	162.7	169.9	74.9	20.4	0	0	0	111.4	G378 L403 G407 A408 I504 V505	G378-N405 CarbonylContact O-C 3.55Å; G378-N405 WeakPolarHBondContact O-CA 2.9Å; G378-N405 WeakPolarHBondContact O-CB 3.48Å; L403-N405 PolarHBondContact O-N 3.44Å; N405-G407 PolarHBondContact O-N 3.44Å; N405-G407 WeakPolarHBondContact OD1-CA 3.42Å; N405-G407 PolarHBondContact OD1-N 2.58Å; N405-A408 WeakPolarHBondContact O-CB 3.43Å; N405-A408 PolarHBondContact O-N 2.94Å; N405-A408 PolarHBondContact OD1-N 2.74Å; N405-I504 HydrophobicContact CB-CG2 4.05Å; N405-V505 PolarHBondContact N-O 2.96Å
406	D	95.8	Very high	89.2	Confident	53 Å²	53	40.3 Å²	40.3	28%	0.283	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.7	-176.1	-65.5	-31.2	0	0	0	111.8	G378 V379 K380 Q381 A408	G378-D406 VanDerWaalsContact C-CG 3.46Å; G378-D406 WeakPolarHBondContact CA-OD2 3.26Å; G378-D406 VanDerWaalsContact O-CG 3.28Å; G378-D406 PolarHBondContact O-N 3.03Å; V379-D406 PolarHBondContact N-OD2 3.07Å; K380-D406 PolarHBondContact N-OD1 3.44Å; K380-D406 PolarHBondContact N-OD2 3.18Å; Q381-D406 WeakPolarHBondContact CB-OD1 3.43Å; Q381-D406 PolarHBondContact N-OD1 3.03Å; D406-A408 VanDerWaalsContact C-N 3.34Å
407	G	93.8	Very high	89.6	Confident	48 Å²	48	40 Å²	40	50%	0.495	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-29.8	174.6	0	0	0	0	0	113.7	N405 F409 Q410	N405-G407 PolarHBondContact O-N 3.44Å; N405-G407 WeakPolarHBondContact OD1-CA 3.42Å; N405-G407 PolarHBondContact OD1-N 2.58Å; G407-F409 PolarHBondContact O-N 3.32Å; G407-Q410 WeakPolarHBondContact O-CB 3.5Å; G407-Q410 PolarHBondContact O-N 3.43Å
408	A	92.8	Very high	89.9	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.008	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-57.9	-36.6	-178.7	0	0	0	0	0	112.3	N405 D406 Q410 S411 K506 V508	N405-A408 WeakPolarHBondContact O-CB 3.43Å; N405-A408 PolarHBondContact O-N 2.94Å; N405-A408 PolarHBondContact OD1-N 2.74Å; D406-A408 VanDerWaalsContact C-N 3.34Å; A408-Q410 PolarHBondContact O-N 3.4Å; A408-S411 WeakPolarHBondContact O-CB 3.24Å; A408-S411 PolarHBondContact O-N 3.12Å; A408-S411 PolarHBondContact O-OG 2.85Å; A408-K506 VanDerWaalsContact CA-O 3.31Å; A408-K506 WeakPolarHBondContact CA-O 3.49Å; A408-K506 VanDerWaalsContact CB-O 3.23Å; A408-K506 WeakPolarHBondContact CB-O 3.45Å; A408-V508 HydrophobicContact CB-CG2 3.95Å
409	F	92.3	Very high	89.6	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.026	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-73.2	-11.6	178.7	-56.2	-77.8	0	0	0	113.4	Q381 A382 G407 Y414 V508	Q381-F409 HydrophobicContact CB-CD2 4.14Å; Q381-F409 HydrophobicContact CB-CE2 3.89Å; Q381-F409 HydrophobicContact CG-CD2 4.07Å; Q381-F409 HydrophobicContact CG-CE2 3.89Å; Q381-F409 HydrophobicContact CG-CG 4.49Å; Q381-F409 HydrophobicContact CG-CZ 4.13Å; A382-F409 HydrophobicContact CB-CE2 4.04Å; A382-F409 HydrophobicContact CB-CZ 3.85Å; G407-F409 PolarHBondContact O-N 3.32Å; F409-Y414 HydrophobicContact CB-CD1 4.31Å; F409-Y414 HydrophobicContact CB-CE1 4.14Å; F409-Y414 HydrophobicContact CD1-CD1 4.45Å; F409-Y414 AromaticContact CD1-CE1 3.84Å; F409-Y414 HydrophobicContact CD1-CE1 3.84Å; F409-Y414 HydrophobicContact CD1-CE2 4.01Å; F409-Y414 AromaticContact CD1-CZ 3.58Å; F409-Y414 HydrophobicContact CE1-CE2 4.41Å; F409-Y414 WeakPolarHBondContact O-CD1 3.37Å; F409-V508 HydrophobicContact CD1-CG2 4.08Å; F409-V508 HydrophobicContact CE1-CG2 3.96Å; F409-V508 HydrophobicContact CZ-CG2 4.48Å
410	Q	90.6	Very high	88.6	Confident	119 Å²	119	49 Å²	49	56%	0.556	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-93.4	-12.5	176	-59.4	-54.2	-36.8	0	0	113.5	G407 A408 K415	G407-Q410 WeakPolarHBondContact O-CB 3.5Å; G407-Q410 PolarHBondContact O-N 3.43Å; A408-Q410 PolarHBondContact O-N 3.4Å; Q410-K415 WeakPolarHBondContact O-CE 3.47Å; Q410-K415 PolarHBondContact O-NZ 3.34Å
411	S	86.1	Confident	87.5	Confident	18 Å²	18	51.1 Å²	51.1	13%	0.126	25%	0.246	C	C	.	.	S	Bend	trans	-59.1	146.9	-179.6	66.8	0	0	0	0	112.2	A408 F413 Y414 K415	A408-S411 WeakPolarHBondContact O-CB 3.24Å; A408-S411 PolarHBondContact O-N 3.12Å; A408-S411 PolarHBondContact O-OG 2.85Å; S411-F413 VanDerWaalsContact C-N 3.31Å; S411-Y414 PolarHBondContact O-N 2.91Å; S411-Y414 WeakPolarHBondContact OG-CB 3.39Å; S411-Y414 PolarHBondContact OG-N 2.99Å; S411-Y414 VanDerWaalsContact OG-N 3.17Å; S411-K415 WeakPolarHBondContact O-CG 3.18Å; S411-K415 PolarHBondContact O-N 3.26Å; S411-K415 VanDerWaalsContact O-N 3.12Å
412	K	83.7	Confident	86.5	Confident	143 Å²	143	59.9 Å²	59.9	62%	0.622	29%	0.287	S	S	*	.	H	α-helix	trans	-59.5	-46	174.8	-177.2	-178.7	175.8	-173.6	0	110.1	Y414 K415 E416	K412-Y414 PolarHBondContact O-N 3.22Å; K412-K415 PolarHBondContact O-N 3.03Å; K412-E416 WeakPolarHBondContact CE-OE1 3.27Å; K412-E416 WeakPolarHBondContact CE-OE2 3.2Å; K412-E416 HydrophobicContact CG-CG 4.21Å; K412-E416 WeakPolarHBondContact CG-OE1 3.12Å; K412-E416 IonicContact NZ-OE1 3.68Å; K412-E416 WeakPolarHBondContact O-CB 3.39Å; K412-E416 WeakPolarHBondContact O-CG 3.3Å; K412-E416 PolarHBondContact O-N 3.11Å
413	F	83	Confident	85.6	Confident	18 Å²	18	61 Å²	61	8%	0.079	29%	0.293	C	S	.	.	H	α-helix	trans	-52.8	-50.8	176.8	177	-96.3	0	0	0	112.4	S411 N417 H486 L510 D591 N645	S411-F413 VanDerWaalsContact C-N 3.31Å; F413-N417 WeakPolarHBondContact CD2-ND2 3.32Å; F413-N417 WeakPolarHBondContact O-CB 3.31Å; F413-N417 PolarHBondContact O-N 3.11Å; F413-N417 PolarHBondContact O-ND2 2.87Å; F413-H486 AromaticContact CD1-CE1 3.26Å; F413-H486 WeakPolarHBondContact CD1-CE1 3.28Å; F413-H486 AromaticContact CD1-ND1 3.57Å; F413-H486 AromaticContact CE1-CE1 3.49Å; F413-H486 VanDerWaalsContact CE1-CE1 3.49Å; F413-H486 WeakPolarHBondContact CE1-CE1 3.48Å; F413-H486 AromaticContact CE1-ND1 3.33Å; F413-H486 VanDerWaalsContact CE1-ND1 3.33Å; F413-H486 WeakPolarHBondContact CE1-ND1 3.3Å; F413-H486 AromaticContact CG-CE1 3.57Å; F413-H486 AromaticContact CZ-ND1 3.88Å; F413-L510 HydrophobicContact CD1-CD1 4.25Å; F413-L510 HydrophobicContact CE1-CD1 3.45Å; F413-L510 VanDerWaalsContact CE1-CD1 3.45Å; F413-L510 HydrophobicContact CE1-CG 3.84Å; F413-L510 HydrophobicContact CZ-CD1 3.69Å; F413-L510 HydrophobicContact CZ-CG 4.32Å; F413-D591 WeakPolarHBondContact CB-OD2 3.33Å; F413-N645 HydrophobicContact CD2-CB 4.5Å; F413-N645 HydrophobicContact CE2-CB 3.82Å
414	Y	86.8	Confident	85.1	Confident	23 Å²	23	65.2 Å²	65.2	9%	0.09	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-48.3	179.3	176.5	-99.9	0	0	0	112	F409 S411 K412 E416 M418 L428 V508 L510	F409-Y414 HydrophobicContact CB-CD1 4.31Å; F409-Y414 HydrophobicContact CB-CE1 4.14Å; F409-Y414 HydrophobicContact CD1-CD1 4.45Å; F409-Y414 AromaticContact CD1-CE1 3.84Å; F409-Y414 HydrophobicContact CD1-CE1 3.84Å; F409-Y414 HydrophobicContact CD1-CE2 4.01Å; F409-Y414 AromaticContact CD1-CZ 3.58Å; F409-Y414 HydrophobicContact CE1-CE2 4.41Å; F409-Y414 WeakPolarHBondContact O-CD1 3.37Å; S411-Y414 PolarHBondContact O-N 2.91Å; S411-Y414 WeakPolarHBondContact OG-CB 3.39Å; S411-Y414 PolarHBondContact OG-N 2.99Å; S411-Y414 VanDerWaalsContact OG-N 3.17Å; K412-Y414 PolarHBondContact O-N 3.22Å; Y414-E416 PolarHBondContact O-N 3.38Å; Y414-M418 HydrophobicContact CD1-CG 4.28Å; Y414-M418 HydrophobicContact CD2-CG 3.65Å; Y414-M418 HydrophobicContact CE1-CG 3.99Å; Y414-M418 HydrophobicContact CE2-CG 3.31Å; Y414-M418 HydrophobicContact CE2-SD 3.92Å; Y414-M418 HydrophobicContact CG-CG 4.14Å; Y414-M418 VanDerWaalsContact CZ-CG 3.49Å; Y414-M418 VanDerWaalsContact O-CB 3.27Å; Y414-M418 WeakPolarHBondContact O-CB 3.28Å; Y414-M418 VanDerWaalsContact O-CG 3.3Å; Y414-M418 WeakPolarHBondContact O-CG 3.4Å; Y414-M418 PolarHBondContact O-N 3Å; Y414-L428 HydrophobicContact CE2-CD2 4.48Å; Y414-V508 HydrophobicContact CD2-CB 3.72Å; Y414-V508 HydrophobicContact CD2-CG1 3.89Å; Y414-V508 HydrophobicContact CD2-CG2 3.62Å; Y414-V508 HydrophobicContact CE2-CB 4.23Å; Y414-V508 HydrophobicContact CE2-CG1 4.01Å; Y414-V508 HydrophobicContact CE2-CG2 3.91Å; Y414-V508 HydrophobicContact CG-CG2 4.33Å; Y414-L510 HydrophobicContact CD2-CD2 4.43Å
415	K	86.9	Confident	84.7	Confident	80 Å²	80	69.5 Å²	69.5	35%	0.348	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-41	-176	-75.4	172.4	175.1	159.7	0	113	Q410 S411 K412 R419	Q410-K415 WeakPolarHBondContact O-CE 3.47Å; Q410-K415 PolarHBondContact O-NZ 3.34Å; S411-K415 WeakPolarHBondContact O-CG 3.18Å; S411-K415 PolarHBondContact O-N 3.26Å; S411-K415 VanDerWaalsContact O-N 3.12Å; K412-K415 PolarHBondContact O-N 3.03Å; K415-R419 WeakPolarHBondContact O-CD 3.37Å; K415-R419 VanDerWaalsContact O-CG 3.28Å; K415-R419 WeakPolarHBondContact O-CG 3.35Å; K415-R419 PolarHBondContact O-N 2.78Å
416	E	82.7	Confident	84.6	Confident	95 Å²	95	69.9 Å²	69.9	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-70.7	-46.5	-179	-71.8	179.2	164.5	0	0	111.5	K412 Y414	K412-E416 WeakPolarHBondContact CE-OE1 3.27Å; K412-E416 WeakPolarHBondContact CE-OE2 3.2Å; K412-E416 HydrophobicContact CG-CG 4.21Å; K412-E416 WeakPolarHBondContact CG-OE1 3.12Å; K412-E416 IonicContact NZ-OE1 3.68Å; K412-E416 WeakPolarHBondContact O-CB 3.39Å; K412-E416 WeakPolarHBondContact O-CG 3.3Å; K412-E416 PolarHBondContact O-N 3.11Å; Y414-E416 PolarHBondContact O-N 3.38Å
417	N	80.7	Confident	84.3	Confident	21 Å²	21	71.6 Å²	71.6	11%	0.112	34%	0.344	C	S	.	.	H	α-helix	trans	-71.9	-40.7	-179	-70.9	-80	0	0	0	112	F413 R419 Q420 L421 L510	F413-N417 WeakPolarHBondContact CD2-ND2 3.32Å; F413-N417 WeakPolarHBondContact O-CB 3.31Å; F413-N417 PolarHBondContact O-N 3.11Å; F413-N417 PolarHBondContact O-ND2 2.87Å; N417-R419 VanDerWaalsContact C-N 3.29Å; N417-R419 PolarHBondContact O-N 3.22Å; N417-Q420 WeakPolarHBondContact O-CB 3.47Å; N417-Q420 PolarHBondContact O-N 3.35Å; N417-L421 HydrophobicContact CB-CD1 4.45Å; N417-L421 VanDerWaalsContact O-CG 3.27Å; N417-L421 WeakPolarHBondContact O-CG 3.44Å; N417-L421 PolarHBondContact O-N 2.86Å; N417-L510 HydrophobicContact CB-CD1 3.34Å
418	M	81.5	Confident	84.2	Confident	32 Å²	32	69.3 Å²	69.3	16%	0.158	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-31.8	-179.9	-75.8	-61.7	-64.8	0	0	113.8	Y414 Q420 Q422 L423 L510	Y414-M418 HydrophobicContact CD1-CG 4.28Å; Y414-M418 HydrophobicContact CD2-CG 3.65Å; Y414-M418 HydrophobicContact CE1-CG 3.99Å; Y414-M418 HydrophobicContact CE2-CG 3.31Å; Y414-M418 HydrophobicContact CE2-SD 3.92Å; Y414-M418 HydrophobicContact CG-CG 4.14Å; Y414-M418 VanDerWaalsContact CZ-CG 3.49Å; Y414-M418 VanDerWaalsContact O-CB 3.27Å; Y414-M418 WeakPolarHBondContact O-CB 3.28Å; Y414-M418 VanDerWaalsContact O-CG 3.3Å; Y414-M418 WeakPolarHBondContact O-CG 3.4Å; Y414-M418 PolarHBondContact O-N 3Å; M418-Q420 PolarHBondContact O-N 2.94Å; M418-Q422 PolarHBondContact O-N 2.89Å; M418-L423 HydrophobicContact CE-CB 4.39Å; M418-L423 HydrophobicContact SD-CB 4.47Å; M418-L510 HydrophobicContact SD-CD2 4.06Å
419	R	75.1	Confident	84.3	Confident	202 Å²	202	69.3 Å²	69.3	76%	0.762	32%	0.32	S	S	*	.	H	α-helix	trans	-62.9	-32.6	173.3	-76.2	173.4	-178.1	176.2	0.6	112.2	K415 N417	K415-R419 WeakPolarHBondContact O-CD 3.37Å; K415-R419 VanDerWaalsContact O-CG 3.28Å; K415-R419 WeakPolarHBondContact O-CG 3.35Å; K415-R419 PolarHBondContact O-N 2.78Å; N417-R419 VanDerWaalsContact C-N 3.29Å; N417-R419 PolarHBondContact O-N 3.22Å
420	Q	71.3	Confident	84.4	Confident	135 Å²	135	71.8 Å²	71.8	63%	0.631	33%	0.333	S	S	*	.	H	α-helix	trans	-82.8	-39.2	-178.8	-65.4	175.4	-5.5	0	0	111.8	N417 M418	N417-Q420 WeakPolarHBondContact O-CB 3.47Å; N417-Q420 PolarHBondContact O-N 3.35Å; M418-Q420 PolarHBondContact O-N 2.94Å
421	L	71	Confident	84.6	Confident	46 Å²	46	66.2 Å²	66.2	24%	0.241	31%	0.307	C	S	.	.	H	α-helix	trans	-82.9	-21.7	-167.6	-63.3	179.6	0	0	0	115.2	N417 L423 Q513	N417-L421 HydrophobicContact CB-CD1 4.45Å; N417-L421 VanDerWaalsContact O-CG 3.27Å; N417-L421 WeakPolarHBondContact O-CG 3.44Å; N417-L421 PolarHBondContact O-N 2.86Å; L421-L423 HydrophobicContact CB-CB 4.07Å; L421-L423 PolarHBondContact O-N 2.82Å; L421-Q513 HydrophobicContact CD1-CG 3.98Å; L421-Q513 HydrophobicContact CD2-CB 4.25Å; L421-Q513 HydrophobicContact CD2-CG 3.45Å; L421-Q513 VanDerWaalsContact CD2-CG 3.45Å; L421-Q513 HydrophobicContact CG-CG 4.32Å
422	Q	73.7	Confident	85	Confident	183 Å²	183	65.3 Å²	65.3	86%	0.855	30%	0.301	S	S	*	.			trans	44.9	34	-172.6	-59.9	-175.6	10.3	0	0	112.8	M418	M418-Q422 PolarHBondContact O-N 2.89Å
423	L	77.9	Confident	85.5	Confident	24 Å²	24	58.7 Å²	58.7	13%	0.126	27%	0.272	C	S	.	.			trans	-73.1	135.6	-167	-178.7	69.2	0	0	0	111.3	M418 L421 K425 K427 L428 P511	M418-L423 HydrophobicContact CE-CB 4.39Å; M418-L423 HydrophobicContact SD-CB 4.47Å; L421-L423 HydrophobicContact CB-CB 4.07Å; L421-L423 PolarHBondContact O-N 2.82Å; L423-K425 PolarHBondContact O-N 3.36Å; L423-K427 HydrophobicContact CD1-CB 4.15Å; L423-L428 HydrophobicContact CD2-CB 3.83Å; L423-L428 HydrophobicContact CD2-CD1 4.49Å; L423-P511 HydrophobicContact CD1-CG 4.23Å; L423-P511 HydrophobicContact CD2-CG 3.34Å; L423-P511 HydrophobicContact CG-CG 4.42Å
424	D	86.9	Confident	86	Confident	89 Å²	89	57.8 Å²	57.8	48%	0.476	27%	0.268	S	S	.	.			trans	-60	122.3	166.7	179.6	-5.7	0	0	0	110.2	C426 K427 L428	D424-C426 PolarHBondContact O-N 2.9Å; D424-C426 PolarHBondContact OD1-N 3.04Å; D424-K427 HydrophobicContact CB-CB 4.32Å; D424-K427 HydrophobicContact CB-CD 4.35Å; D424-K427 HydrophobicContact CB-CG 4.14Å; D424-K427 WeakPolarHBondContact O-CB 3.44Å; D424-K427 PolarHBondContact O-N 3.26Å; D424-L428 PolarHBondContact O-N 2.84Å; D424-L428 VanDerWaalsContact O-N 3.11Å
425	K	90.2	Very high	86.2	Confident	90 Å²	90	59.1 Å²	59.1	39%	0.391	28%	0.275	S	S	.	.	H	α-helix	trans	-54.6	-35.5	178.6	-67.7	-174.5	175.5	-170.4	0	112.4	E385 L423 K427 L428 Y429	E385-K425 HydrophobicContact CG-CD 4.42Å; E385-K425 IonicContact OE1-NZ 3.63Å; E385-K425 PolarHBondContact OE1-NZ 2.88Å; E385-K425 IonicContact OE2-NZ 3.29Å; L423-K425 PolarHBondContact O-N 3.36Å; K425-K427 VanDerWaalsContact C-N 3.35Å; K425-K427 PolarHBondContact O-N 3.18Å; K425-L428 VanDerWaalsContact O-CB 3.31Å; K425-L428 WeakPolarHBondContact O-CB 3.36Å; K425-L428 PolarHBondContact O-N 2.91Å; K425-Y429 HydrophobicContact CB-CD2 4.5Å; K425-Y429 HydrophobicContact CB-CE2 4.29Å; K425-Y429 WeakPolarHBondContact O-CD2 3.48Å; K425-Y429 PolarHBondContact O-N 3.07Å
426	C	93.2	Very high	86.3	Confident	41 Å²	41	56.1 Å²	56.1	28%	0.277	26%	0.263	S	S	.	.	H	α-helix	trans	-71.1	-32.2	179.4	-64.9	0	0	0	0	112.4	C389 D424 Y429 L430	C389-C426 WeakPolarHBondContact CA-SG 3.37Å; C389-C426 HydrophobicContact CB-CB 3.77Å; C389-C426 WeakPolarHBondContact CB-SG 3.46Å; C389-C426 WeakPolarHBondContact SG-CA 3.41Å; C389-C426 WeakPolarHBondContact SG-CB 3.22Å; C389-C426 CovalentContact SG-SG 2.05Å; C389-C426 PolarHBondContact SG-SG 2.98Å; D424-C426 PolarHBondContact O-N 2.9Å; D424-C426 PolarHBondContact OD1-N 3.04Å; C426-Y429 PolarHBondContact O-N 3.25Å; C426-L430 VanDerWaalsContact O-CG 3.3Å; C426-L430 WeakPolarHBondContact O-CG 3.47Å; C426-L430 PolarHBondContact O-N 3.33Å
427	K	90.7	Very high	86.4	Confident	90 Å²	90	56 Å²	56	39%	0.391	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-38.4	169.5	-69.7	-171.9	178.8	-175.5	0	112.1	L423 D424 K425 L430 H431 Y459	L423-K427 HydrophobicContact CD1-CB 4.15Å; D424-K427 HydrophobicContact CB-CB 4.32Å; D424-K427 HydrophobicContact CB-CD 4.35Å; D424-K427 HydrophobicContact CB-CG 4.14Å; D424-K427 WeakPolarHBondContact O-CB 3.44Å; D424-K427 PolarHBondContact O-N 3.26Å; K425-K427 VanDerWaalsContact C-N 3.35Å; K425-K427 PolarHBondContact O-N 3.18Å; K427-L430 PolarHBondContact O-N 2.96Å; K427-H431 PolarHBondContact O-N 3.1Å; K427-Y459 HydrophobicContact CB-CD2 4.11Å; K427-Y459 HydrophobicContact CB-CE2 4.08Å; K427-Y459 HydrophobicContact CD-CE2 4.46Å; K427-Y459 WeakPolarHBondContact O-CD2 3.44Å
428	L	92.1	Very high	86.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-51	171.8	170.4	63.7	0	0	0	111	Y414 L423 D424 K425 L430 H431 H432 V508 N509 L510	Y414-L428 HydrophobicContact CE2-CD2 4.48Å; L423-L428 HydrophobicContact CD2-CB 3.83Å; L423-L428 HydrophobicContact CD2-CD1 4.49Å; D424-L428 PolarHBondContact O-N 2.84Å; D424-L428 VanDerWaalsContact O-N 3.11Å; K425-L428 VanDerWaalsContact O-CB 3.31Å; K425-L428 WeakPolarHBondContact O-CB 3.36Å; K425-L428 PolarHBondContact O-N 2.91Å; L428-L430 VanDerWaalsContact C-N 3.33Å; L428-L430 PolarHBondContact O-N 2.96Å; L428-H431 WeakPolarHBondContact O-CA 3.25Å; L428-H431 VanDerWaalsContact O-CB 3.28Å; L428-H431 WeakPolarHBondContact O-CB 3.35Å; L428-H431 PolarHBondContact O-N 3.1Å; L428-H432 PolarHBondContact O-CD2 3.3Å; L428-H432 PolarHBondContact O-N 3.42Å; L428-V508 HydrophobicContact CD1-CG1 3.63Å; L428-V508 HydrophobicContact CD2-CG1 3.85Å; L428-V508 HydrophobicContact CG-CG1 4.25Å; L428-N509 WeakPolarHBondContact CD1-O 3.37Å; L428-L510 HydrophobicContact CD1-CD2 4.26Å
429	Y	94.9	Very high	85.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.7	-27.8	-178	-69.8	-60.2	0	0	0	113.8	A382 E385 M386 M391 K425 C426 H431 H432 L433	A382-Y429 HydrophobicContact CB-CE1 4.31Å; E385-Y429 HydrophobicContact CB-CD2 4.32Å; E385-Y429 HydrophobicContact CB-CE2 3.36Å; E385-Y429 HydrophobicContact CG-CE2 4.42Å; E385-Y429 WeakPolarHBondContact OE2-CE2 3.29Å; E385-Y429 PolarHBondContact OE2-OH 2.89Å; M386-Y429 HydrophobicContact CB-CD1 4.46Å; M386-Y429 HydrophobicContact CB-CG 4.44Å; M386-Y429 HydrophobicContact CE-CD1 4.06Å; M386-Y429 HydrophobicContact CE-CG 4.41Å; M386-Y429 HydrophobicContact CG-CD1 3.09Å; M386-Y429 HydrophobicContact CG-CD2 3.98Å; M386-Y429 HydrophobicContact CG-CE1 3.48Å; M386-Y429 VanDerWaalsContact CG-CE1 3.48Å; M386-Y429 HydrophobicContact CG-CE2 4.36Å; M386-Y429 HydrophobicContact CG-CG 3.37Å; M386-Y429 HydrophobicContact SD-CD1 3.69Å; M386-Y429 HydrophobicContact SD-CE1 4.15Å; M386-Y429 HydrophobicContact SD-CG 4.38Å; M391-Y429 VanDerWaalsContact CE-C 3.4Å; M391-Y429 VanDerWaalsContact CE-O 3.28Å; M391-Y429 WeakPolarHBondContact CE-O 3.4Å; K425-Y429 HydrophobicContact CB-CD2 4.5Å; K425-Y429 HydrophobicContact CB-CE2 4.29Å; K425-Y429 WeakPolarHBondContact O-CD2 3.48Å; K425-Y429 PolarHBondContact O-N 3.07Å; C426-Y429 PolarHBondContact O-N 3.25Å; Y429-H431 PolarHBondContact O-N 3.46Å; Y429-H432 WeakPolarHBondContact O-CB 3.48Å; Y429-H432 PolarHBondContact O-N 3.41Å; Y429-L433 PolarHBondContact O-N 2.9Å
430	L	93.3	Very high	85.6	Confident	58 Å²	58	60.5 Å²	60.5	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-28.9	168.3	-75.7	168.3	0	0	0	112.4	M391 C426 K427 L428 H432 L433 Q458 Y459	M391-L430 VanDerWaalsContact CE-CA 3.48Å; M391-L430 HydrophobicContact CE-CB 4.26Å; M391-L430 HydrophobicContact CE-CD2 3.6Å; M391-L430 HydrophobicContact CE-CG 3.88Å; C426-L430 VanDerWaalsContact O-CG 3.3Å; C426-L430 WeakPolarHBondContact O-CG 3.47Å; C426-L430 PolarHBondContact O-N 3.33Å; K427-L430 PolarHBondContact O-N 2.96Å; L428-L430 VanDerWaalsContact C-N 3.33Å; L428-L430 PolarHBondContact O-N 2.96Å; L430-H432 VanDerWaalsContact C-N 3.31Å; L430-L433 PolarHBondContact O-N 3.12Å; L430-Q458 HydrophobicContact CD2-CB 3.87Å; L430-Q458 CarbonylContact O-C 3.55Å; L430-Q458 PolarHBondContact O-N 3.05Å; L430-Q458 VanDerWaalsContact O-N 3.16Å; L430-Y459 PolarHBondContact O-N 3.26Å; L430-Y459 VanDerWaalsContact O-N 3.1Å
431	H	94.1	Very high	85.1	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-77.2	-19.5	174.2	-167.9	62.9	0	0	0	113	K427 L428 Y429 L433 L434 T457 Y459 N509 P511	K427-H431 PolarHBondContact O-N 3.1Å; L428-H431 WeakPolarHBondContact O-CA 3.25Å; L428-H431 VanDerWaalsContact O-CB 3.28Å; L428-H431 WeakPolarHBondContact O-CB 3.35Å; L428-H431 PolarHBondContact O-N 3.1Å; Y429-H431 PolarHBondContact O-N 3.46Å; H431-L433 VanDerWaalsContact C-N 3.34Å; H431-L434 WeakPolarHBondContact O-CD2 3.28Å; H431-T457 WeakPolarHBondContact ND1-CG2 3.26Å; H431-Y459 HydrophobicContact CB-CG 4.25Å; H431-N509 PolarHBondContact CD2-O 2.91Å; H431-N509 PolarHBondContact NE2-ND2 3.1Å; H431-P511 HydrophobicContact CB-CB 3.92Å
432	H	95.6	Very high	84.6	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.8	175.4	-76.1	-143	0	0	0	113.2	M386 I401 L402 S404 L428 Y429 L430 N509	M386-H432 HydrophobicContact CE-CB 4.49Å; I401-H432 WeakPolarHBondContact CA-O 3.47Å; L402-H432 HydrophobicContact CB-CB 4.07Å; L402-H432 PolarHBondContact N-O 2.93Å; L402-H432 WeakPolarHBondContact O-CB 3.44Å; L402-H432 PolarHBondContact O-ND1 3.17Å; S404-H432 PolarHBondContact OG-CE1 2.78Å; L428-H432 PolarHBondContact O-CD2 3.3Å; L428-H432 PolarHBondContact O-N 3.42Å; Y429-H432 WeakPolarHBondContact O-CB 3.48Å; Y429-H432 PolarHBondContact O-N 3.41Å; L430-H432 VanDerWaalsContact C-N 3.31Å; H432-N509 PolarHBondContact CD2-O 3.2Å; H432-N509 PolarHBondContact NE2-N 2.75Å; H432-N509 VanDerWaalsContact NE2-N 3.12Å; H432-N509 PolarHBondContact NE2-O 2.87Å
433	L	94.6	Very high	84.1	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	111.2	175.1	177.4	57.4	0	0	0	109.8	M391 L393 N399 I401 Y429 L430 H431 T457 Q458	M391-L433 HydrophobicContact CE-CB 4.11Å; M391-L433 HydrophobicContact CE-CD2 4.16Å; L393-L433 HydrophobicContact CD2-CD1 3.36Å; L393-L433 HydrophobicContact CD2-CD2 3.35Å; L393-L433 HydrophobicContact CD2-CG 3.99Å; N399-L433 HydrophobicContact CB-CD1 4.17Å; I401-L433 HydrophobicContact CD1-CD1 4.33Å; I401-L433 HydrophobicContact CG1-CD1 3.81Å; Y429-L433 PolarHBondContact O-N 2.9Å; L430-L433 PolarHBondContact O-N 3.12Å; H431-L433 VanDerWaalsContact C-N 3.34Å; L433-T457 WeakPolarHBondContact O-CA 3.39Å; L433-Q458 HydrophobicContact CB-CB 4.45Å; L433-Q458 HydrophobicContact CB-CG 4.27Å; L433-Q458 HydrophobicContact CD2-CB 4.1Å; L433-Q458 HydrophobicContact CD2-CG 3.51Å; L433-Q458 HydrophobicContact CG-CB 4.37Å; L433-Q458 HydrophobicContact CG-CG 3.7Å; L433-Q458 PolarHBondContact O-N 3.49Å; L433-Q458 VanDerWaalsContact O-N 3.1Å
434	L	93.6	Very high	83	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144.4	-169	-52.3	-175.2	0	0	0	111.7	V400 L402 H431 F455 T456 T457 V469 F484	V400-L434 HydrophobicContact CB-CB 4.11Å; V400-L434 PolarHBondContact N-O 3.39Å; V400-L434 WeakPolarHBondContact O-CA 3.14Å; V400-L434 VanDerWaalsContact O-CB 3.31Å; V400-L434 WeakPolarHBondContact O-CB 3.33Å; V400-L434 PolarHBondContact O-N 2.99Å; L402-L434 HydrophobicContact CD1-CD1 3.93Å; L402-L434 HydrophobicContact CD2-CD1 4.15Å; L402-L434 HydrophobicContact CG-CD1 3.94Å; L402-L434 HydrophobicContact CG-CG 4.45Å; H431-L434 WeakPolarHBondContact O-CD2 3.28Å; L434-F455 HydrophobicContact CB-CB 3.96Å; L434-F455 HydrophobicContact CB-CD1 3.97Å; L434-F455 HydrophobicContact CB-CG 4.24Å; L434-F455 HydrophobicContact CD1-CB 4.29Å; L434-F455 HydrophobicContact CD1-CD1 4.46Å; L434-F455 HydrophobicContact CD1-CG 4.27Å; L434-F455 HydrophobicContact CG-CB 4.5Å; L434-T456 CarbonylContact C-O 3.53Å; L434-T456 WeakPolarHBondContact CA-O 3.21Å; L434-T457 HydrophobicContact CD2-CG2 3.45Å; L434-T457 VanDerWaalsContact CD2-CG2 3.45Å; L434-V469 HydrophobicContact CD1-CB 4.28Å; L434-V469 HydrophobicContact CD1-CG1 3.99Å; L434-V469 HydrophobicContact CD2-CB 3.96Å; L434-V469 HydrophobicContact CD2-CG1 4.46Å; L434-V469 HydrophobicContact CD2-CG2 3.92Å; L434-F484 HydrophobicContact CD1-CD1 3.89Å; L434-F484 HydrophobicContact CD1-CE1 4.44Å
435	Q	90.8	Very high	81.6	Confident	51 Å²	51	59.1 Å²	59.1	24%	0.238	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.4	168.6	-74	179.8	-40.8	0	0	109.5	K437 F455 T456	Q435-K437 PolarHBondContact O-N 2.78Å; Q435-F455 CarbonylContact O-C 3.59Å; Q435-F455 WeakPolarHBondContact O-CA 3.2Å; Q435-T456 PolarHBondContact N-O 2.89Å; Q435-T456 PolarHBondContact O-N 3.03Å
436	I	88.3	Confident	80.4	Confident	17 Å²	17	55.5 Å²	55.5	9%	0.087	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.1	-177.1	-64.8	146.6	0	0	0	109.9	N438 P439 I442 K446 F449 Q453 F455	I436-N438 VanDerWaalsContact C-N 3.35Å; I436-N438 PolarHBondContact O-N 3.38Å; I436-P439 HydrophobicContact CG2-CB 4.16Å; I436-I442 HydrophobicContact CB-CD1 4.29Å; I436-I442 HydrophobicContact CD1-CD1 3.5Å; I436-I442 VanDerWaalsContact CD1-CD1 3.5Å; I436-I442 HydrophobicContact CD1-CG2 4.26Å; I436-I442 HydrophobicContact CG1-CD1 3.96Å; I436-I442 HydrophobicContact CG2-CD1 3.59Å; I436-K446 HydrophobicContact CD1-CD 4.08Å; I436-F449 HydrophobicContact CD1-CE1 4.29Å; I436-Q453 HydrophobicContact CG2-CG 4.47Å; I436-F455 HydrophobicContact CB-CD1 4.46Å; I436-F455 HydrophobicContact CB-CE1 4.49Å; I436-F455 HydrophobicContact CD1-CE1 4.33Å; I436-F455 HydrophobicContact CG1-CD1 3.73Å; I436-F455 HydrophobicContact CG1-CE1 3.37Å; I436-F455 HydrophobicContact CG1-CZ 4.19Å
437	K	85.4	Confident	78.9	Confident	93 Å²	93	55.1 Å²	55.1	40%	0.404	29%	0.292	S	S	.	.	S	Bend	trans	-79	-13.6	-174.8	-164.9	166.2	158.3	-155.4	0	114.4	Q435 E454	Q435-K437 PolarHBondContact O-N 2.78Å; K437-E454 HydrophobicContact CB-CB 4.44Å; K437-E454 HydrophobicContact CB-CG 4.27Å; K437-E454 HydrophobicContact CD-CG 4Å; K437-E454 WeakPolarHBondContact CD-OE2 3.32Å; K437-E454 PolarHBondContact N-O 2.84Å; K437-E454 IonicContact NZ-OE1 2.59Å; K437-E454 PolarHBondContact NZ-OE1 3.45Å; K437-E454 IonicContact NZ-OE2 3.97Å; K437-E454 PolarHBondContact NZ-OE2 3.21Å
438	N	79.8	Confident	77.8	Confident	112 Å²	112	53.1 Å²	53.1	60%	0.599	30%	0.296	S	S	*	.	S	Bend	trans	-157.2	91.5	172.4	-80.1	-44.6	0	0	0	109.4	I436 Q440	I436-N438 VanDerWaalsContact C-N 3.35Å; I436-N438 PolarHBondContact O-N 3.38Å; N438-Q440 PolarHBondContact O-N 3.48Å
439	P	72	Confident	77.2	Confident	99 Å²	99	53.6 Å²	53.6	64%	0.643	30%	0.299	S	S	*	.			trans	-76.9	86.8	-176.6	30.7	-33.7	0	0	0	110.4	I436 I442	I436-P439 HydrophobicContact CG2-CB 4.16Å; P439-I442 HydrophobicContact CB-CD1 4.44Å
440	Q	68	Low	76.5	Confident	138 Å²	138	57.2 Å²	57.2	65%	0.645	32%	0.318	S	S	*	.	S	Bend	trans	-115.2	130.7	169.1	-65.7	-165.8	0.5	0	0	109.7	N438 I442	N438-Q440 PolarHBondContact O-N 3.48Å; Q440-I442 VanDerWaalsContact C-N 3.29Å; Q440-I442 PolarHBondContact O-N 2.86Å
441	N	61.9	Low	76	Confident	150 Å²	150	60 Å²	60	80%	0.802	33%	0.329	S	S	*	.	S	Bend	trans	60.9	28	178.3	-54.3	-36.4	0	0	0	115.7
442	I	59.6	Low	75.5	Confident	35 Å²	35	62.4 Å²	62.4	18%	0.179	34%	0.34	C	S	.	.			trans	-95.1	124.6	176.6	-59.2	176.2	0	0	0	107.7	I436 P439 Q440 K446 F449	I436-I442 HydrophobicContact CB-CD1 4.29Å; I436-I442 HydrophobicContact CD1-CD1 3.5Å; I436-I442 VanDerWaalsContact CD1-CD1 3.5Å; I436-I442 HydrophobicContact CD1-CG2 4.26Å; I436-I442 HydrophobicContact CG1-CD1 3.96Å; I436-I442 HydrophobicContact CG2-CD1 3.59Å; P439-I442 HydrophobicContact CB-CD1 4.44Å; Q440-I442 VanDerWaalsContact C-N 3.29Å; Q440-I442 PolarHBondContact O-N 2.86Å; I442-K446 HydrophobicContact CG2-CB 4.01Å; I442-K446 HydrophobicContact CG2-CG 3.91Å; I442-F449 HydrophobicContact CD1-CD1 4.4Å
443	D	62.5	Low	75.2	Confident	65 Å²	65	63 Å²	63	35%	0.348	34%	0.343	S	S	.	.			trans	-65.5	166.8	177.1	72.1	21.2	0	0	0	111.5	Y445 K446 T447	D443-Y445 PolarHBondContact O-N 3.36Å; D443-Y445 VanDerWaalsContact O-N 3.08Å; D443-Y445 VanDerWaalsContact OD1-C 3.24Å; D443-Y445 WeakPolarHBondContact OD1-CA 3.35Å; D443-Y445 WeakPolarHBondContact OD1-CB 3.4Å; D443-Y445 PolarHBondContact OD1-N 2.83Å; D443-K446 PolarHBondContact O-N 3.14Å; D443-K446 WeakPolarHBondContact OD1-CA 3.43Å; D443-K446 PolarHBondContact OD1-N 3.17Å; D443-T447 VanDerWaalsContact CG-O 3.23Å; D443-T447 PolarHBondContact OD1-N 3.42Å; D443-T447 PolarHBondContact OD1-OG1 2.91Å; D443-T447 VanDerWaalsContact OD2-O 3.09Å; D443-T447 PolarHBondContact OD2-OG1 3.09Å
444	A	55.8	Low	75	Confident	97 Å²	97	64.5 Å²	64.5	80%	0.802	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.9	-179.9	0	0	0	0	0	113.3
445	Y	57.1	Low	74.9	Confident	101 Å²	101	64.5 Å²	64.5	40%	0.396	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.9	-178.8	-52.8	-53.2	0	0	0	112.8	D443 T447 K496	D443-Y445 PolarHBondContact O-N 3.36Å; D443-Y445 VanDerWaalsContact O-N 3.08Å; D443-Y445 VanDerWaalsContact OD1-C 3.24Å; D443-Y445 WeakPolarHBondContact OD1-CA 3.35Å; D443-Y445 WeakPolarHBondContact OD1-CB 3.4Å; D443-Y445 PolarHBondContact OD1-N 2.83Å; Y445-T447 PolarHBondContact O-N 3.28Å; Y445-K496 HydrophobicContact CD1-CD 4.05Å
446	K	64.1	Low	75	Confident	13 Å²	13	63.6 Å²	63.6	6%	0.057	35%	0.348	C	S	.	.			trans	49.4	36.6	-171.4	-52.9	179.6	-151.5	156	0	112.1	R397 D398 N399 V400 I436 I442 D443 F449 V501	R397-K446 WeakPolarHBondContact O-CE 3.4Å; R397-K446 PolarHBondContact O-NZ 3.45Å; D398-K446 VanDerWaalsContact CA-CE 3.47Å; D398-K446 PolarHBondContact O-NZ 3.02Å; N399-K446 VanDerWaalsContact N-NZ 3.19Å; N399-K446 PolarHBondContact O-NZ 2.87Å; V400-K446 HydrophobicContact CG2-CD 3.84Å; I436-K446 HydrophobicContact CD1-CD 4.08Å; I442-K446 HydrophobicContact CG2-CB 4.01Å; I442-K446 HydrophobicContact CG2-CG 3.91Å; D443-K446 PolarHBondContact O-N 3.14Å; D443-K446 WeakPolarHBondContact OD1-CA 3.43Å; D443-K446 PolarHBondContact OD1-N 3.17Å; K446-F449 HydrophobicContact CB-CE1 3.91Å; K446-F449 HydrophobicContact CB-CZ 4.04Å; K446-F449 WeakPolarHBondContact O-CE1 3.46Å; K446-F449 WeakPolarHBondContact O-CZ 3.46Å; K446-V501 HydrophobicContact CB-CG2 4.42Å; K446-V501 HydrophobicContact CD-CG2 4.2Å
447	T	63.6	Low	75.2	Confident	34 Å²	34	62.8 Å²	62.8	21%	0.209	34%	0.344	C	S	.	.			trans	-91.6	140.8	166.4	43.7	0	0	0	0	108.2	D443 Y445 P494	D443-T447 VanDerWaalsContact CG-O 3.23Å; D443-T447 PolarHBondContact OD1-N 3.42Å; D443-T447 PolarHBondContact OD1-OG1 2.91Å; D443-T447 VanDerWaalsContact OD2-O 3.09Å; D443-T447 PolarHBondContact OD2-OG1 3.09Å; Y445-T447 PolarHBondContact O-N 3.28Å; T447-P494 HydrophobicContact CG2-CG 4.42Å
448	G	67.5	Low	75.4	Confident	47 Å²	47	60.5 Å²	60.5	49%	0.485	34%	0.335	S	S	.	.	S	Bend	trans	79.8	54.4	179.7	0	0	0	0	0	114.7	Y473	G448-Y473 WeakPolarHBondContact CA-OH 3.29Å; G448-Y473 PolarHBondContact N-OH 3.23Å
449	F	78.4	Confident	75.9	Confident	11 Å²	11	56 Å²	56	5%	0.048	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-58	157.7	168.3	-56.8	-60.1	0	0	0	111.4	V400 I436 I442 K446 Q453 F455 Y473 L482 F484 H503	V400-F449 HydrophobicContact CG2-CZ 4.28Å; I436-F449 HydrophobicContact CD1-CE1 4.29Å; I442-F449 HydrophobicContact CD1-CD1 4.4Å; K446-F449 HydrophobicContact CB-CE1 3.91Å; K446-F449 HydrophobicContact CB-CZ 4.04Å; K446-F449 WeakPolarHBondContact O-CE1 3.46Å; K446-F449 WeakPolarHBondContact O-CZ 3.46Å; F449-Q453 HydrophobicContact CB-CB 3.81Å; F449-Q453 HydrophobicContact CB-CG 4.22Å; F449-Q453 HydrophobicContact CD1-CG 4.24Å; F449-Q453 HydrophobicContact CG-CB 4.45Å; F449-Q453 HydrophobicContact CG-CG 4.47Å; F449-F455 HydrophobicContact CD1-CE1 4.43Å; F449-F455 AromaticContact CD1-CZ 3.75Å; F449-F455 HydrophobicContact CD1-CZ 3.75Å; F449-F455 HydrophobicContact CD2-CZ 4.22Å; F449-F455 AromaticContact CE1-CE1 3.95Å; F449-F455 HydrophobicContact CE1-CE1 3.95Å; F449-F455 AromaticContact CE1-CZ 3.63Å; F449-F455 HydrophobicContact CE1-CZ 3.63Å; F449-F455 HydrophobicContact CE2-CZ 4.13Å; F449-F455 HydrophobicContact CG-CZ 4.05Å; F449-F455 HydrophobicContact CZ-CE1 4.17Å; F449-F455 AromaticContact CZ-CZ 3.83Å; F449-F455 HydrophobicContact CZ-CZ 3.83Å; F449-Y473 HydrophobicContact CB-CE2 4.06Å; F449-Y473 PolarHBondContact N-OH 3.41Å; F449-Y473 VanDerWaalsContact N-OH 3.09Å; F449-Y473 WeakPolarHBondContact O-CE2 2.98Å; F449-L482 HydrophobicContact CD2-CD1 4.19Å; F449-L482 HydrophobicContact CD2-CD2 4.3Å; F449-L482 HydrophobicContact CE2-CD2 4.19Å; F449-F484 HydrophobicContact CE2-CE1 4.07Å; F449-F484 AromaticContact CE2-CZ 3.83Å; F449-F484 HydrophobicContact CE2-CZ 3.83Å; F449-H503 AromaticContact CE2-NE2 3.97Å
450	N	79.7	Confident	76.6	Confident	76 Å²	76	53.5 Å²	53.5	41%	0.406	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-62.4	154.3	167.1	-64.6	-53.2	0	0	0	110.2	E452 Q453	N450-E452 PolarHBondContact O-N 3.06Å; N450-Q453 PolarHBondContact ND2-OE1 3.48Å; N450-Q453 PolarHBondContact O-N 3.4Å; N450-Q453 VanDerWaalsContact O-N 3.16Å
451	Q	82.9	Confident	77.1	Confident	117 Å²	117	48.1 Å²	48.1	55%	0.547	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	123.7	167.2	-172.5	66.5	19.9	0	0	108.3	Y473	Q451-Y473 PolarHBondContact NE2-O 3.35Å; Q451-Y473 VanDerWaalsContact NE2-O 3.1Å; Q451-Y473 PolarHBondContact OE1-O 2.8Å
452	E	84	Confident	77.6	Confident	51 Å²	51	49.4 Å²	49.4	24%	0.238	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	39.7	-173.9	-44.5	-151.2	141.2	0	0	115.3	N450 E454 Y470 S471 R472 N548 H584	N450-E452 PolarHBondContact O-N 3.06Å; E452-E454 PolarHBondContact O-N 3.03Å; E452-Y470 HydrophobicContact CB-CD1 4.5Å; E452-S471 CarbonylContact C-O 3.51Å; E452-S471 WeakPolarHBondContact CA-O 3.46Å; E452-S471 PolarHBondContact N-O 3.05Å; E452-S471 VanDerWaalsContact N-O 3.14Å; E452-R472 VanDerWaalsContact CD-NH2 3.34Å; E452-R472 HydrophobicContact CG-CG 4.19Å; E452-R472 IonicContact OE1-CZ 3.1Å; E452-R472 IonicContact OE1-NE 3.54Å; E452-R472 PolarHBondContact OE1-NE 2.97Å; E452-R472 IonicContact OE1-NH2 3.42Å; E452-R472 PolarHBondContact OE1-NH2 3.21Å; E452-R472 IonicContact OE2-NH2 2.93Å; E452-N548 PolarHBondContact OE2-ND2 2.94Å; E452-H584 IonicContact OE1-CG 3.02Å; E452-H584 IonicContact OE1-ND1 2.87Å; E452-H584 PolarHBondContact OE1-ND1 2.85Å; E452-H584 IonicContact OE2-CE1 2.71Å; E452-H584 IonicContact OE2-ND1 2.8Å; E452-H584 PolarHBondContact OE2-ND1 2.87Å
453	Q	89.3	Confident	78.3	Confident	13 Å²	13	53.9 Å²	53.9	6%	0.061	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	126.4	173.6	180	61.9	61.6	0	0	112.2	I436 F449 N450 F455 Y470 S471	I436-Q453 HydrophobicContact CG2-CG 4.47Å; F449-Q453 HydrophobicContact CB-CB 3.81Å; F449-Q453 HydrophobicContact CB-CG 4.22Å; F449-Q453 HydrophobicContact CD1-CG 4.24Å; F449-Q453 HydrophobicContact CG-CB 4.45Å; F449-Q453 HydrophobicContact CG-CG 4.47Å; N450-Q453 PolarHBondContact ND2-OE1 3.48Å; N450-Q453 PolarHBondContact O-N 3.4Å; N450-Q453 VanDerWaalsContact O-N 3.16Å; Q453-F455 HydrophobicContact CB-CE2 3.86Å; Q453-F455 HydrophobicContact CB-CZ 4.35Å; Q453-F455 HydrophobicContact CG-CD2 4.26Å; Q453-F455 HydrophobicContact CG-CE2 3.54Å; Q453-F455 HydrophobicContact CG-CZ 3.72Å; Q453-F455 VanDerWaalsContact O-CD2 3.29Å; Q453-F455 WeakPolarHBondContact O-CD2 3.1Å; Q453-F455 WeakPolarHBondContact O-CE2 3.38Å; Q453-Y470 CarbonylContact O-C 3.54Å; Q453-Y470 WeakPolarHBondContact O-CA 3.36Å; Q453-S471 PolarHBondContact N-O 3.43Å; Q453-S471 PolarHBondContact O-N 3.34Å
454	E	90.9	Very high	78.9	Confident	35 Å²	35	53.1 Å²	53.1	16%	0.164	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.6	176.3	-169.6	176.9	-157.2	0	0	111.8	K437 E452 S468 Y470	K437-E454 HydrophobicContact CB-CB 4.44Å; K437-E454 HydrophobicContact CB-CG 4.27Å; K437-E454 HydrophobicContact CD-CG 4Å; K437-E454 WeakPolarHBondContact CD-OE2 3.32Å; K437-E454 PolarHBondContact N-O 2.84Å; K437-E454 IonicContact NZ-OE1 2.59Å; K437-E454 PolarHBondContact NZ-OE1 3.45Å; K437-E454 IonicContact NZ-OE2 3.97Å; K437-E454 PolarHBondContact NZ-OE2 3.21Å; E452-E454 PolarHBondContact O-N 3.03Å; E454-S468 VanDerWaalsContact OE1-CB 3.29Å; E454-S468 WeakPolarHBondContact OE1-CB 3.41Å; E454-S468 PolarHBondContact OE1-OG 2.79Å; E454-S468 VanDerWaalsContact OE1-OG 3.05Å; E454-Y470 HydrophobicContact CB-CD1 4.12Å; E454-Y470 HydrophobicContact CB-CE1 3.62Å; E454-Y470 HydrophobicContact CG-CD1 4.48Å; E454-Y470 HydrophobicContact CG-CE1 3.83Å; E454-Y470 HydrophobicContact CG-CE2 3.87Å; E454-Y470 VanDerWaalsContact CG-CZ 3.46Å; E454-Y470 PolarHBondContact OE1-OH 3.48Å
455	F	92.1	Very high	80	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.7	175.5	-60.7	-102	0	0	0	110.6	V400 L434 Q435 I436 F449 Q453 S468 V469 S471 F484	V400-F455 HydrophobicContact CB-CE1 4.35Å; V400-F455 HydrophobicContact CG2-CE1 3.97Å; L434-F455 HydrophobicContact CB-CB 3.96Å; L434-F455 HydrophobicContact CB-CD1 3.97Å; L434-F455 HydrophobicContact CB-CG 4.24Å; L434-F455 HydrophobicContact CD1-CB 4.29Å; L434-F455 HydrophobicContact CD1-CD1 4.46Å; L434-F455 HydrophobicContact CD1-CG 4.27Å; L434-F455 HydrophobicContact CG-CB 4.5Å; Q435-F455 CarbonylContact O-C 3.59Å; Q435-F455 WeakPolarHBondContact O-CA 3.2Å; I436-F455 HydrophobicContact CB-CD1 4.46Å; I436-F455 HydrophobicContact CB-CE1 4.49Å; I436-F455 HydrophobicContact CD1-CE1 4.33Å; I436-F455 HydrophobicContact CG1-CD1 3.73Å; I436-F455 HydrophobicContact CG1-CE1 3.37Å; I436-F455 HydrophobicContact CG1-CZ 4.19Å; F449-F455 HydrophobicContact CD1-CE1 4.43Å; F449-F455 AromaticContact CD1-CZ 3.75Å; F449-F455 HydrophobicContact CD1-CZ 3.75Å; F449-F455 HydrophobicContact CD2-CZ 4.22Å; F449-F455 AromaticContact CE1-CE1 3.95Å; F449-F455 HydrophobicContact CE1-CE1 3.95Å; F449-F455 AromaticContact CE1-CZ 3.63Å; F449-F455 HydrophobicContact CE1-CZ 3.63Å; F449-F455 HydrophobicContact CE2-CZ 4.13Å; F449-F455 HydrophobicContact CG-CZ 4.05Å; F449-F455 HydrophobicContact CZ-CE1 4.17Å; F449-F455 AromaticContact CZ-CZ 3.83Å; F449-F455 HydrophobicContact CZ-CZ 3.83Å; Q453-F455 HydrophobicContact CB-CE2 3.86Å; Q453-F455 HydrophobicContact CB-CZ 4.35Å; Q453-F455 HydrophobicContact CG-CD2 4.26Å; Q453-F455 HydrophobicContact CG-CE2 3.54Å; Q453-F455 HydrophobicContact CG-CZ 3.72Å; Q453-F455 VanDerWaalsContact O-CD2 3.29Å; Q453-F455 WeakPolarHBondContact O-CD2 3.1Å; Q453-F455 WeakPolarHBondContact O-CE2 3.38Å; F455-S468 CarbonylContact O-C 3.52Å; F455-S468 WeakPolarHBondContact O-CA 3.41Å; F455-S468 VanDerWaalsContact O-CB 3.31Å; F455-S468 WeakPolarHBondContact O-CB 3.26Å; F455-V469 WeakPolarHBondContact CB-O 3.34Å; F455-V469 WeakPolarHBondContact CD2-O 3.21Å; F455-V469 PolarHBondContact N-O 3.35Å; F455-V469 PolarHBondContact O-N 2.83Å; F455-S471 WeakPolarHBondContact CE2-OG 3.25Å; F455-F484 HydrophobicContact CE2-CD1 4.32Å; F455-F484 HydrophobicContact CE2-CE1 4.11Å; F455-F484 AromaticContact CZ-CE1 3.97Å; F455-F484 HydrophobicContact CZ-CE1 3.97Å
456	T	91.7	Very high	81.1	Confident	31 Å²	31	50.9 Å²	50.9	19%	0.19	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.9	167.8	-54.6	0	0	0	0	109.9	L434 Q435 K466	L434-T456 CarbonylContact C-O 3.53Å; L434-T456 WeakPolarHBondContact CA-O 3.21Å; Q435-T456 PolarHBondContact N-O 2.89Å; Q435-T456 PolarHBondContact O-N 3.03Å; T456-K466 HydrophobicContact CG2-CB 4.05Å; T456-K466 HydrophobicContact CG2-CD 3.8Å
457	T	92.5	Very high	82.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	159	175.1	73.6	0	0	0	0	111.6	H431 L433 L434 Y459 H467 V469	H431-T457 WeakPolarHBondContact ND1-CG2 3.26Å; L433-T457 WeakPolarHBondContact O-CA 3.39Å; L434-T457 HydrophobicContact CD2-CG2 3.45Å; L434-T457 VanDerWaalsContact CD2-CG2 3.45Å; T457-Y459 VanDerWaalsContact C-N 3.28Å; T457-Y459 PolarHBondContact OG1-N 2.8Å; T457-H467 WeakPolarHBondContact CG2-O 3.42Å; T457-H467 PolarHBondContact N-O 3.22Å; T457-H467 PolarHBondContact OG1-O 2.87Å; T457-V469 HydrophobicContact CG2-CB 4.29Å; T457-V469 HydrophobicContact CG2-CG2 3.51Å
458	Q	90.3	Very high	83.3	Confident	46 Å²	46	50.2 Å²	50.2	22%	0.215	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-2.5	169.7	-61	-56.2	-17.6	0	0	113.6	L430 L433	L430-Q458 HydrophobicContact CD2-CB 3.87Å; L430-Q458 CarbonylContact O-C 3.55Å; L430-Q458 PolarHBondContact O-N 3.05Å; L430-Q458 VanDerWaalsContact O-N 3.16Å; L433-Q458 HydrophobicContact CB-CB 4.45Å; L433-Q458 HydrophobicContact CB-CG 4.27Å; L433-Q458 HydrophobicContact CD2-CB 4.1Å; L433-Q458 HydrophobicContact CD2-CG 3.51Å; L433-Q458 HydrophobicContact CG-CB 4.37Å; L433-Q458 HydrophobicContact CG-CG 3.7Å; L433-Q458 PolarHBondContact O-N 3.49Å; L433-Q458 VanDerWaalsContact O-N 3.1Å
459	Y	90.6	Very high	84.5	Confident	16 Å²	16	48 Å²	48	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138.6	169.8	170.7	-99.3	0	0	0	110.4	K427 L430 H431 T457 T461 H467 P511 P512	K427-Y459 HydrophobicContact CB-CD2 4.11Å; K427-Y459 HydrophobicContact CB-CE2 4.08Å; K427-Y459 HydrophobicContact CD-CE2 4.46Å; K427-Y459 WeakPolarHBondContact O-CD2 3.44Å; L430-Y459 PolarHBondContact O-N 3.26Å; L430-Y459 VanDerWaalsContact O-N 3.1Å; H431-Y459 HydrophobicContact CB-CG 4.25Å; T457-Y459 VanDerWaalsContact C-N 3.28Å; T457-Y459 PolarHBondContact OG1-N 2.8Å; Y459-T461 HydrophobicContact CE1-CG2 3.73Å; Y459-H467 AromaticContact CE1-CD2 3.93Å; Y459-P511 HydrophobicContact CD1-CB 3.9Å; Y459-P511 HydrophobicContact CD2-CB 4.06Å; Y459-P511 HydrophobicContact CE1-CB 3.75Å; Y459-P511 HydrophobicContact CE2-CB 3.92Å; Y459-P511 HydrophobicContact CE2-CG 4.34Å; Y459-P511 HydrophobicContact CG-CB 4.06Å; Y459-P512 HydrophobicContact CE1-CG 4.16Å; Y459-P512 PolarHBondContact OH-O 2.96Å
460	S	85.8	Confident	85.1	Confident	48 Å²	48	48.7 Å²	48.7	34%	0.336	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.7	170.9	-53.4	0	0	0	0	109.1	S465	S460-S465 WeakPolarHBondContact CA-O 3.5Å
461	T	77.8	Confident	85.6	Confident	25 Å²	25	45 Å²	45	15%	0.153	25%	0.245	C	C	.	.			trans	-72.7	179.6	172.6	47.4	0	0	0	0	110.8	Y459 D463 G464 S465 H467	Y459-T461 HydrophobicContact CE1-CG2 3.73Å; T461-D463 PolarHBondContact O-N 3.43Å; T461-D463 PolarHBondContact OG1-OD1 3.26Å; T461-G464 PolarHBondContact O-N 3Å; T461-S465 PolarHBondContact N-O 3.27Å; T461-S465 PolarHBondContact OG1-O 2.83Å; T461-S465 PolarHBondContact OG1-OG 2.87Å; T461-H467 WeakPolarHBondContact CG2-NE2 3.4Å
462	L	73.2	Confident	85.9	Confident	177 Å²	177	40.1 Å²	40.1	93%	0.927	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.6	179.7	-68.7	169.6	0	0	0	113.3	G464	L462-G464 VanDerWaalsContact C-N 3.29Å
463	D	74.6	Confident	86.1	Confident	128 Å²	128	40.1 Å²	40.1	68%	0.684	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.1	176.2	68.8	10.8	0	0	0	113.4	T461 S465	T461-D463 PolarHBondContact O-N 3.43Å; T461-D463 PolarHBondContact OG1-OD1 3.26Å; D463-S465 VanDerWaalsContact C-N 3.32Å; D463-S465 WeakPolarHBondContact OD1-CB 3.32Å; D463-S465 PolarHBondContact OD1-N 2.83Å; D463-S465 PolarHBondContact OD1-OG 3.05Å
464	G	75.8	Confident	85.8	Confident	49 Å²	49	41.2 Å²	41.2	51%	0.505	23%	0.225	S	C	.	.			trans	82.1	1.9	-179.8	0	0	0	0	0	114.8	T461 L462	T461-G464 PolarHBondContact O-N 3Å; L462-G464 VanDerWaalsContact C-N 3.29Å
465	S	77.7	Confident	85.5	Confident	43 Å²	43	48.4 Å²	48.4	30%	0.301	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-67.4	135.3	176.9	58.8	0	0	0	0	111.6	S460 T461 D463	S460-S465 WeakPolarHBondContact CA-O 3.5Å; T461-S465 PolarHBondContact N-O 3.27Å; T461-S465 PolarHBondContact OG1-O 2.83Å; T461-S465 PolarHBondContact OG1-OG 2.87Å; D463-S465 VanDerWaalsContact C-N 3.32Å; D463-S465 WeakPolarHBondContact OD1-CB 3.32Å; D463-S465 PolarHBondContact OD1-N 2.83Å; D463-S465 PolarHBondContact OD1-OG 3.05Å
466	K	80.1	Confident	85	Confident	108 Å²	108	49.6 Å²	49.6	47%	0.47	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.4	172	-69	-164	177.4	-164.1	0	109.8	T456	T456-K466 HydrophobicContact CG2-CB 4.05Å; T456-K466 HydrophobicContact CG2-CD 3.8Å
467	H	85	Confident	84.4	Confident	18 Å²	18	58 Å²	58	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	159	178.2	-68.6	-70.8	0	0	0	112.6	T457 Y459 T461 P512 G649	T457-H467 WeakPolarHBondContact CG2-O 3.42Å; T457-H467 PolarHBondContact N-O 3.22Å; T457-H467 PolarHBondContact OG1-O 2.87Å; Y459-H467 AromaticContact CE1-CD2 3.93Å; T461-H467 WeakPolarHBondContact CG2-NE2 3.4Å; H467-P512 HydrophobicContact CB-CG 4.05Å; H467-P512 VanDerWaalsContact CD2-CG 3.42Å; H467-P512 WeakPolarHBondContact CD2-CG 3.48Å; H467-P512 VanDerWaalsContact CG-CG 3.45Å; H467-G649 WeakPolarHBondContact CE1-CA 3.2Å; H467-G649 PolarHBondContact CE1-O 2.91Å; H467-G649 VanDerWaalsContact ND1-CA 3.26Å; H467-G649 WeakPolarHBondContact ND1-CA 3.38Å; H467-G649 PolarHBondContact ND1-O 2.87Å
468	S	89.8	Confident	83.9	Confident	15 Å²	15	65.3 Å²	65.3	11%	0.105	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	144.4	178.1	-54.8	0	0	0	0	112.3	E454 F455	E454-S468 VanDerWaalsContact OE1-CB 3.29Å; E454-S468 WeakPolarHBondContact OE1-CB 3.41Å; E454-S468 PolarHBondContact OE1-OG 2.79Å; E454-S468 VanDerWaalsContact OE1-OG 3.05Å; F455-S468 CarbonylContact O-C 3.52Å; F455-S468 WeakPolarHBondContact O-CA 3.41Å; F455-S468 VanDerWaalsContact O-CB 3.31Å; F455-S468 WeakPolarHBondContact O-CB 3.26Å
469	V	92.1	Very high	83.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.6	170.7	168.7	0	0	0	0	107.4	L434 F455 T457 F484 N485 N509	L434-V469 HydrophobicContact CD1-CB 4.28Å; L434-V469 HydrophobicContact CD1-CG1 3.99Å; L434-V469 HydrophobicContact CD2-CB 3.96Å; L434-V469 HydrophobicContact CD2-CG1 4.46Å; L434-V469 HydrophobicContact CD2-CG2 3.92Å; F455-V469 WeakPolarHBondContact CB-O 3.34Å; F455-V469 WeakPolarHBondContact CD2-O 3.21Å; F455-V469 PolarHBondContact N-O 3.35Å; F455-V469 PolarHBondContact O-N 2.83Å; T457-V469 HydrophobicContact CG2-CB 4.29Å; T457-V469 HydrophobicContact CG2-CG2 3.51Å; V469-F484 HydrophobicContact CG1-CB 3.87Å; V469-N485 HydrophobicContact CG1-CB 4.18Å; V469-N509 WeakPolarHBondContact CG2-ND2 3.31Å
470	Y	90.5	Very high	83.7	Confident	26 Å²	26	67.1 Å²	67.1	10%	0.102	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.3	-179.9	-75.2	-101.5	0	0	0	110.3	E452 Q453 E454 F484 N485 P547 N548	E452-Y470 HydrophobicContact CB-CD1 4.5Å; Q453-Y470 CarbonylContact O-C 3.54Å; Q453-Y470 WeakPolarHBondContact O-CA 3.36Å; E454-Y470 HydrophobicContact CB-CD1 4.12Å; E454-Y470 HydrophobicContact CB-CE1 3.62Å; E454-Y470 HydrophobicContact CG-CD1 4.48Å; E454-Y470 HydrophobicContact CG-CE1 3.83Å; E454-Y470 HydrophobicContact CG-CE2 3.87Å; E454-Y470 VanDerWaalsContact CG-CZ 3.46Å; E454-Y470 PolarHBondContact OE1-OH 3.48Å; Y470-F484 CarbonylContact O-C 3.4Å; Y470-F484 WeakPolarHBondContact O-CA 3.41Å; Y470-N485 PolarHBondContact N-OD1 3.43Å; Y470-N485 PolarHBondContact O-N 2.97Å; Y470-P547 HydrophobicContact CE2-CG 4Å; Y470-N548 HydrophobicContact CD1-CB 4.33Å; Y470-N548 HydrophobicContact CD2-CB 4.22Å; Y470-N548 HydrophobicContact CE1-CB 3.89Å; Y470-N548 HydrophobicContact CE2-CB 3.83Å; Y470-N548 HydrophobicContact CG-CB 4.46Å
471	S	91.2	Very high	83.9	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.1	171.6	80.5	0	0	0	0	112.7	E452 Q453 F455 T483	E452-S471 CarbonylContact C-O 3.51Å; E452-S471 WeakPolarHBondContact CA-O 3.46Å; E452-S471 PolarHBondContact N-O 3.05Å; E452-S471 VanDerWaalsContact N-O 3.14Å; Q453-S471 PolarHBondContact N-O 3.43Å; Q453-S471 PolarHBondContact O-N 3.34Å; F455-S471 WeakPolarHBondContact CE2-OG 3.25Å; S471-T483 CarbonylContact C-O 3.57Å; S471-T483 WeakPolarHBondContact CA-O 3.4Å; S471-T483 WeakPolarHBondContact CB-O 3.37Å
472	R	88.2	Confident	84.6	Confident	13 Å²	13	67 Å²	67	5%	0.049	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145	177.6	-65.2	-176.2	171	88.8	-3.1	112.4	E452 I474 L482 T483 N548 G585	E452-R472 VanDerWaalsContact CD-NH2 3.34Å; E452-R472 HydrophobicContact CG-CG 4.19Å; E452-R472 IonicContact OE1-CZ 3.1Å; E452-R472 IonicContact OE1-NE 3.54Å; E452-R472 PolarHBondContact OE1-NE 2.97Å; E452-R472 IonicContact OE1-NH2 3.42Å; E452-R472 PolarHBondContact OE1-NH2 3.21Å; E452-R472 IonicContact OE2-NH2 2.93Å; R472-I474 HydrophobicContact CB-CG1 4.32Å; R472-L482 WeakPolarHBondContact O-CA 3.3Å; R472-T483 PolarHBondContact N-O 2.82Å; R472-T483 PolarHBondContact O-N 3.2Å; R472-N548 PolarHBondContact NH2-OD1 3.09Å; R472-G585 PolarHBondContact NH1-O 3.08Å; R472-G585 PolarHBondContact NH2-O 2.77Å; R472-G585 VanDerWaalsContact NH2-O 3.11Å
473	Y	88.1	Confident	85.5	Confident	51 Å²	51	58.6 Å²	58.6	20%	0.2	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.5	164.3	-65.5	-84.3	0	0	0	109.7	G448 F449 Q451 T480 K481 L482 L492	G448-Y473 WeakPolarHBondContact CA-OH 3.29Å; G448-Y473 PolarHBondContact N-OH 3.23Å; F449-Y473 HydrophobicContact CB-CE2 4.06Å; F449-Y473 PolarHBondContact N-OH 3.41Å; F449-Y473 VanDerWaalsContact N-OH 3.09Å; F449-Y473 WeakPolarHBondContact O-CE2 2.98Å; Q451-Y473 PolarHBondContact NE2-O 3.35Å; Q451-Y473 VanDerWaalsContact NE2-O 3.1Å; Q451-Y473 PolarHBondContact OE1-O 2.8Å; Y473-T480 HydrophobicContact CD1-CG2 3.74Å; Y473-T480 HydrophobicContact CG-CG2 4.27Å; Y473-K481 CarbonylContact C-O 3.57Å; Y473-K481 VanDerWaalsContact CA-O 3.28Å; Y473-K481 WeakPolarHBondContact CA-O 3.35Å; Y473-L482 HydrophobicContact CD1-CB 4.33Å; Y473-L482 HydrophobicContact CD1-CD1 4.28Å; Y473-L482 HydrophobicContact CE1-CB 4.11Å; Y473-L482 HydrophobicContact CE1-CD1 3.91Å; Y473-L482 HydrophobicContact CE1-CG 4.41Å; Y473-L482 HydrophobicContact CE2-CD1 4.19Å; Y473-L492 HydrophobicContact CD1-CD2 4.37Å; Y473-L492 HydrophobicContact CE1-CD2 4.21Å
474	I	84.5	Confident	86.3	Confident	36 Å²	36	52.5 Å²	52.5	19%	0.185	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.5	-176.4	-52	-174	0	0	0	108.2	R472 T480 K481 T483 F593	R472-I474 HydrophobicContact CB-CG1 4.32Å; I474-T480 WeakPolarHBondContact O-CA 3.3Å; I474-K481 PolarHBondContact N-O 3.19Å; I474-K481 PolarHBondContact O-N 3.39Å; I474-T483 HydrophobicContact CD1-CG2 3.94Å; I474-F593 HydrophobicContact CD1-CB 3.55Å; I474-F593 HydrophobicContact CD1-CD1 3.35Å; I474-F593 HydrophobicContact CD1-CD2 4Å; I474-F593 HydrophobicContact CD1-CE1 4.18Å; I474-F593 HydrophobicContact CD1-CG 3.29Å
475	K	83.3	Confident	87	Confident	187 Å²	187	50.9 Å²	50.9	81%	0.813	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.7	176	-70.7	-174.2	178.1	179.9	0	109.4
476	T	81.5	Confident	87.5	Confident	25 Å²	25	48.9 Å²	48.9	15%	0.153	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	170.4	174.7	72.9	0	0	0	0	109.9	H478 G479 K481	T476-H478 PolarHBondContact O-N 2.82Å; T476-H478 PolarHBondContact OG1-N 2.86Å; T476-G479 PolarHBondContact N-O 3.04Å; T476-G479 PolarHBondContact O-N 2.81Å; T476-G479 VanDerWaalsContact O-N 3.08Å; T476-G479 PolarHBondContact OG1-N 3.27Å; T476-G479 PolarHBondContact OG1-O 2.76Å; T476-K481 HydrophobicContact CG2-CD 3.62Å; T476-K481 HydrophobicContact CG2-CG 4.01Å
477	R	80.5	Confident	88.1	Confident	206 Å²	206	43.8 Å²	43.8	78%	0.777	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-19.5	172.4	66.1	174.8	-67.7	-170.9	-0	114.2
478	H	82.4	Confident	88.5	Confident	155 Å²	155	43.5 Å²	43.5	72%	0.718	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	5.4	-178.6	-61.9	-59.4	0	0	0	113.2	T476	T476-H478 PolarHBondContact O-N 2.82Å; T476-H478 PolarHBondContact OG1-N 2.86Å
479	G	87.6	Confident	88.7	Confident	36 Å²	36	43 Å²	43	37%	0.371	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	115.2	-167.4	-176.8	0	0	0	0	0	112.6	T476	T476-G479 PolarHBondContact N-O 3.04Å; T476-G479 PolarHBondContact O-N 2.81Å; T476-G479 VanDerWaalsContact O-N 3.08Å; T476-G479 PolarHBondContact OG1-N 3.27Å; T476-G479 PolarHBondContact OG1-O 2.76Å
480	T	89.2	Confident	88.7	Confident	64 Å²	64	46.2 Å²	46.2	39%	0.393	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.5	-179.1	-54.6	0	0	0	0	110.7	Y473 I474	Y473-T480 HydrophobicContact CD1-CG2 3.74Å; Y473-T480 HydrophobicContact CG-CG2 4.27Å; I474-T480 WeakPolarHBondContact O-CA 3.3Å
481	K	89.7	Confident	88.8	Confident	67 Å²	67	49.3 Å²	49.3	29%	0.291	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.3	169.9	-64.1	177.5	166.9	-164	0	110	Y473 I474 T476 E488	Y473-K481 CarbonylContact C-O 3.57Å; Y473-K481 VanDerWaalsContact CA-O 3.28Å; Y473-K481 WeakPolarHBondContact CA-O 3.35Å; I474-K481 PolarHBondContact N-O 3.19Å; I474-K481 PolarHBondContact O-N 3.39Å; T476-K481 HydrophobicContact CG2-CD 3.62Å; T476-K481 HydrophobicContact CG2-CG 4.01Å; K481-E488 HydrophobicContact CD-CG 4.43Å; K481-E488 WeakPolarHBondContact CD-OE2 3.37Å; K481-E488 WeakPolarHBondContact CE-OE1 3.35Å; K481-E488 IonicContact NZ-OE1 2.93Å; K481-E488 PolarHBondContact NZ-OE1 3.5Å; K481-E488 IonicContact NZ-OE2 2.69Å; K481-E488 PolarHBondContact NZ-OE2 2.85Å
482	L	91.5	Very high	88.7	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132	168.6	173.1	62.5	0	0	0	108.6	F449 R472 Y473 F484 A489 L492	F449-L482 HydrophobicContact CD2-CD1 4.19Å; F449-L482 HydrophobicContact CD2-CD2 4.3Å; F449-L482 HydrophobicContact CE2-CD2 4.19Å; R472-L482 WeakPolarHBondContact O-CA 3.3Å; Y473-L482 HydrophobicContact CD1-CB 4.33Å; Y473-L482 HydrophobicContact CD1-CD1 4.28Å; Y473-L482 HydrophobicContact CE1-CB 4.11Å; Y473-L482 HydrophobicContact CE1-CD1 3.91Å; Y473-L482 HydrophobicContact CE1-CG 4.41Å; Y473-L482 HydrophobicContact CE2-CD1 4.19Å; L482-F484 HydrophobicContact CD2-CE2 3.85Å; L482-F484 HydrophobicContact CD2-CZ 3.92Å; L482-F484 HydrophobicContact CG-CE2 3.9Å; L482-F484 HydrophobicContact CG-CZ 4.23Å; L482-A489 HydrophobicContact CB-CB 4.24Å; L482-A489 HydrophobicContact CG-CB 4.41Å; L482-A489 WeakPolarHBondContact O-CB 3.47Å; L482-A489 PolarHBondContact O-N 3.3Å; L482-L492 HydrophobicContact CB-CD2 3.72Å
483	T	91.6	Very high	88.7	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152	179.9	67.6	0	0	0	0	109.9	S471 R472 I474 A487 E488 F593	S471-T483 CarbonylContact C-O 3.57Å; S471-T483 WeakPolarHBondContact CA-O 3.4Å; S471-T483 WeakPolarHBondContact CB-O 3.37Å; R472-T483 PolarHBondContact N-O 2.82Å; R472-T483 PolarHBondContact O-N 3.2Å; I474-T483 HydrophobicContact CD1-CG2 3.94Å; T483-A487 CarbonylContact C-O 3.57Å; T483-A487 WeakPolarHBondContact CA-O 3.39Å; T483-E488 HydrophobicContact CG2-CB 4.19Å; T483-E488 HydrophobicContact CG2-CG 4.13Å; T483-F593 HydrophobicContact CG2-CD1 3.74Å; T483-F593 HydrophobicContact CG2-CE1 3.31Å; T483-F593 HydrophobicContact CG2-CZ 4.1Å
484	F	92.2	Very high	88.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	99.9	175	-64.4	-92.5	0	0	0	108.3	V400 L402 L434 F449 F455 V469 Y470 L482 H486 A487 A489 H503	V400-F484 HydrophobicContact CG1-CE1 4.09Å; V400-F484 HydrophobicContact CG1-CZ 4.21Å; L402-F484 HydrophobicContact CD1-CB 3.64Å; L402-F484 HydrophobicContact CD1-CG 4.14Å; L402-F484 HydrophobicContact CD2-CB 4.02Å; L402-F484 HydrophobicContact CD2-CD1 4Å; L402-F484 HydrophobicContact CD2-CD2 3.48Å; L402-F484 VanDerWaalsContact CD2-CD2 3.48Å; L402-F484 HydrophobicContact CD2-CE1 4.31Å; L402-F484 HydrophobicContact CD2-CE2 3.82Å; L402-F484 HydrophobicContact CD2-CG 3.58Å; L402-F484 HydrophobicContact CD2-CZ 4.22Å; L402-F484 HydrophobicContact CG-CB 4.49Å; L402-F484 HydrophobicContact CG-CG 4.49Å; L434-F484 HydrophobicContact CD1-CD1 3.89Å; L434-F484 HydrophobicContact CD1-CE1 4.44Å; F449-F484 HydrophobicContact CE2-CE1 4.07Å; F449-F484 AromaticContact CE2-CZ 3.83Å; F449-F484 HydrophobicContact CE2-CZ 3.83Å; F455-F484 HydrophobicContact CE2-CD1 4.32Å; F455-F484 HydrophobicContact CE2-CE1 4.11Å; F455-F484 AromaticContact CZ-CE1 3.97Å; F455-F484 HydrophobicContact CZ-CE1 3.97Å; V469-F484 HydrophobicContact CG1-CB 3.87Å; Y470-F484 CarbonylContact O-C 3.4Å; Y470-F484 WeakPolarHBondContact O-CA 3.41Å; L482-F484 HydrophobicContact CD2-CE2 3.85Å; L482-F484 HydrophobicContact CD2-CZ 3.92Å; L482-F484 HydrophobicContact CG-CE2 3.9Å; L482-F484 HydrophobicContact CG-CZ 4.23Å; F484-H486 PolarHBondContact O-N 3.23Å; F484-A487 PolarHBondContact N-O 2.98Å; F484-A487 PolarHBondContact O-N 2.93Å; F484-A489 HydrophobicContact CE2-CB 4.47Å; F484-H503 HydrophobicContact CE2-CB 4.05Å; F484-H503 AromaticContact CE2-CD2 3.69Å; F484-H503 AromaticContact CE2-CG 3.71Å; F484-H503 AromaticContact CZ-CD2 3.44Å; F484-H503 VanDerWaalsContact CZ-CD2 3.44Å; F484-H503 WeakPolarHBondContact CZ-CD2 3.23Å; F484-H503 AromaticContact CZ-CG 3.97Å; F484-H503 AromaticContact CZ-NE2 3.67Å
485	N	90.7	Very high	89.3	Confident	16 Å²	16	56.5 Å²	56.5	9%	0.086	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	-119.1	-161.2	-76	0.2	0	0	0	108.8	V469 Y470 F587 F593	V469-N485 HydrophobicContact CG1-CB 4.18Å; Y470-N485 PolarHBondContact N-OD1 3.43Å; Y470-N485 PolarHBondContact O-N 2.97Å; N485-F587 HydrophobicContact CB-CD2 4.48Å; N485-F587 HydrophobicContact CB-CE2 3.62Å; N485-F587 HydrophobicContact CB-CZ 4.19Å; N485-F593 WeakPolarHBondContact O-CZ 3.4Å
486	H	88.2	Confident	89.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.1	-180	-169.2	-131.6	0	0	0	114.8	F413 F484 E488 Q507 F587 D591	F413-H486 AromaticContact CD1-CE1 3.26Å; F413-H486 WeakPolarHBondContact CD1-CE1 3.28Å; F413-H486 AromaticContact CD1-ND1 3.57Å; F413-H486 AromaticContact CE1-CE1 3.49Å; F413-H486 VanDerWaalsContact CE1-CE1 3.49Å; F413-H486 WeakPolarHBondContact CE1-CE1 3.48Å; F413-H486 AromaticContact CE1-ND1 3.33Å; F413-H486 VanDerWaalsContact CE1-ND1 3.33Å; F413-H486 WeakPolarHBondContact CE1-ND1 3.3Å; F413-H486 AromaticContact CG-CE1 3.57Å; F413-H486 AromaticContact CZ-ND1 3.88Å; F484-H486 PolarHBondContact O-N 3.23Å; H486-E488 PolarHBondContact O-N 2.04Å; H486-Q507 PolarHBondContact O-OE1 3.07Å; H486-F587 HydrophobicContact CB-CD1 3.6Å; H486-F587 HydrophobicContact CB-CD2 4.04Å; H486-F587 HydrophobicContact CB-CE1 3.63Å; H486-F587 HydrophobicContact CB-CE2 4.06Å; H486-F587 HydrophobicContact CB-CG 3.84Å; H486-F587 HydrophobicContact CB-CZ 3.86Å; H486-F587 AromaticContact CD2-CD1 3.52Å; H486-F587 AromaticContact CD2-CG 3.76Å; H486-F587 AromaticContact CG-CD1 3.72Å; H486-D591 PolarHBondContact CD2-O 2.75Å; H486-D591 VanDerWaalsContact NE2-CB 3.25Å; H486-D591 WeakPolarHBondContact NE2-CB 3.43Å; H486-D591 PolarHBondContact NE2-O 2.99Å
487	A	92.5	Very high	90.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	105.1	-171.9	0	0	0	0	0	111.7	L402 T483 F484 V505 N509	L402-A487 HydrophobicContact CD1-CB 4.18Å; T483-A487 CarbonylContact C-O 3.57Å; T483-A487 WeakPolarHBondContact CA-O 3.39Å; F484-A487 PolarHBondContact N-O 2.98Å; F484-A487 PolarHBondContact O-N 2.93Å; A487-V505 HydrophobicContact CB-CB 3.86Å; A487-V505 HydrophobicContact CB-CG1 3.97Å; A487-V505 HydrophobicContact CB-CG2 3.94Å; A487-N509 HydrophobicContact CB-CB 4.04Å
488	E	92.7	Very high	90.5	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.056	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.5	173.8	-174.5	-174.9	130.6	0	0	110.4	K481 T483 H486 V505 K506	K481-E488 HydrophobicContact CD-CG 4.43Å; K481-E488 WeakPolarHBondContact CD-OE2 3.37Å; K481-E488 WeakPolarHBondContact CE-OE1 3.35Å; K481-E488 IonicContact NZ-OE1 2.93Å; K481-E488 PolarHBondContact NZ-OE1 3.5Å; K481-E488 IonicContact NZ-OE2 2.69Å; K481-E488 PolarHBondContact NZ-OE2 2.85Å; T483-E488 HydrophobicContact CG2-CB 4.19Å; T483-E488 HydrophobicContact CG2-CG 4.13Å; H486-E488 PolarHBondContact O-N 2.04Å; E488-V505 CarbonylContact O-C 3.22Å; E488-V505 WeakPolarHBondContact O-CA 3.48Å; E488-V505 WeakPolarHBondContact O-CB 3.25Å; E488-K506 HydrophobicContact CG-CD 4.45Å; E488-K506 PolarHBondContact O-N 3.37Å; E488-K506 WeakPolarHBondContact OE1-CE 3.45Å; E488-K506 IonicContact OE1-NZ 3.16Å; E488-K506 PolarHBondContact OE1-NZ 2.84Å
489	A	94.4	Very high	90.9	Very high	6 Å²	6	34.5 Å²	34.5	5%	0.05	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-67.4	140.3	173.6	0	0	0	0	0	111.2	L482 F484 D491 H503 I504	L482-A489 HydrophobicContact CB-CB 4.24Å; L482-A489 HydrophobicContact CG-CB 4.41Å; L482-A489 WeakPolarHBondContact O-CB 3.47Å; L482-A489 PolarHBondContact O-N 3.3Å; F484-A489 HydrophobicContact CE2-CB 4.47Å; A489-D491 VanDerWaalsContact C-N 3.32Å; A489-D491 WeakPolarHBondContact CB-O 2.99Å; A489-H503 HydrophobicContact CB-CB 4.41Å; A489-I504 CarbonylContact C-O 3.47Å; A489-I504 WeakPolarHBondContact CA-O 3.2Å
490	T	93.4	Very high	91	Very high	66 Å²	66	33.1 Å²	33.1	41%	0.405	17%	0.173	S	C	.	.	S	Bend	trans	-72.9	-26.4	178.1	57.3	0	0	0	0	113	I504 K506	T490-I504 HydrophobicContact CG2-CB 4.39Å; T490-I504 HydrophobicContact CG2-CG2 3.87Å; T490-I504 PolarHBondContact N-O 2.92Å; T490-I504 PolarHBondContact OG1-O 2.69Å; T490-K506 HydrophobicContact CG2-CG 3.8Å
491	D	90.9	Very high	91.3	Very high	91 Å²	91	30.3 Å²	30.3	49%	0.487	16%	0.155	S	C	.	.	S	Bend	trans	-140.8	156.4	175.8	-159.6	-65.1	0	0	0	109.2	A489 H493	A489-D491 VanDerWaalsContact C-N 3.32Å; A489-D491 WeakPolarHBondContact CB-O 2.99Å; D491-H493 IonicContact OD1-CG 2.71Å; D491-H493 PolarHBondContact OD1-N 3.36Å; D491-H493 IonicContact OD1-ND1 3.46Å; D491-H493 PolarHBondContact OD1-ND1 2.73Å
492	L	89.4	Confident	91.5	Very high	65 Å²	65	27.1 Å²	27.1	34%	0.34	14%	0.142	S	C	.	.	S	Bend	trans	-73.7	-29.6	174.5	-64.1	179.4	0	0	0	111.9	Y473 L482	Y473-L492 HydrophobicContact CD1-CD2 4.37Å; Y473-L492 HydrophobicContact CE1-CD2 4.21Å; L482-L492 HydrophobicContact CB-CD2 3.72Å
493	H	88.3	Confident	91.8	Very high	135 Å²	135	27.1 Å²	27.1	63%	0.625	14%	0.141	S	C	*	.	S	Bend	trans	-90.8	122.4	177.8	-57	88.2	0	0	0	109.7	D491	D491-H493 IonicContact OD1-CG 2.71Å; D491-H493 PolarHBondContact OD1-N 3.36Å; D491-H493 IonicContact OD1-ND1 3.46Å; D491-H493 PolarHBondContact OD1-ND1 2.73Å
494	P	92.8	Very high	92	Very high	18 Å²	18	28 Å²	28	12%	0.117	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-77.5	165	175.9	32.6	-34	0	0	0	111.9	T447 V501 I502	T447-P494 HydrophobicContact CG2-CG 4.42Å; P494-V501 HydrophobicContact CB-CB 3.77Å; P494-V501 HydrophobicContact CB-CG2 4.18Å; P494-V501 HydrophobicContact CG-CB 3.78Å; P494-V501 HydrophobicContact CG-CG1 4.02Å; P494-V501 HydrophobicContact CG-CG2 4.12Å; P494-I502 WeakPolarHBondContact CA-O 3.01Å; P494-I502 WeakPolarHBondContact CB-O 3.4Å
495	I	92.7	Very high	92.2	Very high	34 Å²	34	28 Å²	28	17%	0.174	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.1	167.2	-62.8	174.2	0	0	0	108.3	L359 L371 V501 I502 I504	L359-I495 HydrophobicContact CD1-CG2 3.26Å; L371-I495 HydrophobicContact CD2-CD1 4.07Å; I495-V501 CarbonylContact O-C 3.55Å; I495-V501 WeakPolarHBondContact O-CA 3.03Å; I495-I502 HydrophobicContact CB-CB 4.28Å; I495-I502 PolarHBondContact N-O 2.98Å; I495-I502 PolarHBondContact O-N 2.79Å; I495-I504 HydrophobicContact CD1-CD1 3.77Å; I495-I504 HydrophobicContact CD1-CG1 4.16Å
496	K	90.5	Very high	92.4	Very high	43 Å²	43	31.2 Å²	31.2	19%	0.187	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	138.9	177.2	-57.7	173.2	-168.9	176.2	0	110.3	E312 L359 E360 Y445	E312-K496 IonicContact OE2-NZ 2.7Å; E312-K496 PolarHBondContact OE2-NZ 3.22Å; L359-K496 WeakPolarHBondContact CB-O 3.48Å; E360-K496 HydrophobicContact CG-CB 3.62Å; E360-K496 WeakPolarHBondContact OE1-CD 3.47Å; Y445-K496 HydrophobicContact CD1-CD 4.05Å
497	F	92.4	Very high	92.6	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.035	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	175.6	169.1	79.5	-79.2	0	0	0	110.6	L359 L364 A367 L393 I401 D499 G500 V501 I502	L359-F497 HydrophobicContact CB-CB 4.33Å; L359-F497 WeakPolarHBondContact O-CA 3.2Å; L359-F497 WeakPolarHBondContact O-CB 3.47Å; L364-F497 HydrophobicContact CB-CE2 3.97Å; L364-F497 HydrophobicContact CD1-CE2 4.21Å; L364-F497 HydrophobicContact CD1-CZ 4.25Å; A367-F497 HydrophobicContact CB-CB 4.08Å; A367-F497 HydrophobicContact CB-CD2 4.46Å; A367-F497 HydrophobicContact CB-CG 4.46Å; L393-F497 HydrophobicContact CD1-CE2 3.85Å; L393-F497 HydrophobicContact CD1-CZ 3.8Å; I401-F497 HydrophobicContact CD1-CE1 3.76Å; I401-F497 HydrophobicContact CD1-CZ 3.55Å; I401-F497 HydrophobicContact CG1-CE1 4.42Å; I401-F497 HydrophobicContact CG1-CZ 4.5Å; F497-D499 VanDerWaalsContact C-N 3.33Å; F497-D499 HydrophobicContact CD2-CB 4.39Å; F497-D499 HydrophobicContact CE2-CB 3.6Å; F497-D499 HydrophobicContact CZ-CB 4.1Å; F497-D499 PolarHBondContact O-N 2.86Å; F497-G500 WeakPolarHBondContact CD1-O 3.37Å; F497-G500 PolarHBondContact N-O 2.87Å; F497-G500 PolarHBondContact O-N 2.89Å; F497-V501 VanDerWaalsContact CE1-N 3.33Å; F497-I502 HydrophobicContact CD1-CD1 3.93Å; F497-I502 HydrophobicContact CD1-CG1 3.78Å; F497-I502 HydrophobicContact CE1-CD1 4.4Å; F497-I502 HydrophobicContact CE1-CG1 3.94Å; F497-I502 HydrophobicContact CG-CD1 4.41Å
498	H	88.4	Confident	92.6	Very high	33 Å²	33	32 Å²	32	15%	0.153	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-45	-170.1	-176.9	54.5	0	0	0	114.7	I280 L359 E360 M362	I280-H498 WeakPolarHBondContact CD1-CE1 3.38Å; I280-H498 VanDerWaalsContact CG1-CE1 3.41Å; I280-H498 WeakPolarHBondContact CG1-CE1 3.32Å; L359-H498 PolarHBondContact O-N 3.41Å; E360-H498 VanDerWaalsContact O-CA 3.27Å; E360-H498 WeakPolarHBondContact O-CA 3.32Å; E360-H498 WeakPolarHBondContact O-CB 3.3Å; M362-H498 WeakPolarHBondContact O-CB 3.47Å; M362-H498 PolarHBondContact O-N 3.04Å; M362-H498 VanDerWaalsContact O-N 3.16Å
499	D	89.1	Confident	92.5	Very high	27 Å²	27	31.4 Å²	31.4	14%	0.144	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	9.7	-172.9	-47.2	-65.4	0	0	0	112.9	L393 R397 N399 F497	L393-D499 HydrophobicContact CD1-CB 3.73Å; R397-D499 CarbonylContact C-O 3.58Å; R397-D499 WeakPolarHBondContact CA-O 2.75Å; N399-D499 WeakPolarHBondContact CB-O 3.26Å; N399-D499 PolarHBondContact ND2-O 3.29Å; F497-D499 VanDerWaalsContact C-N 3.33Å; F497-D499 HydrophobicContact CD2-CB 4.39Å; F497-D499 HydrophobicContact CE2-CB 3.6Å; F497-D499 HydrophobicContact CZ-CB 4.1Å; F497-D499 PolarHBondContact O-N 2.86Å
500	G	91.7	Very high	92.2	Very high	6 Å²	6	31.3 Å²	31.3	6%	0.062	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-143.7	178.2	0	0	0	0	0	115.3	R397 N399 F497	R397-G500 WeakPolarHBondContact O-CA 3.36Å; N399-G500 WeakPolarHBondContact O-CA 3.43Å; F497-G500 WeakPolarHBondContact CD1-O 3.37Å; F497-G500 PolarHBondContact N-O 2.87Å; F497-G500 PolarHBondContact O-N 2.89Å
501	V	93.5	Very high	92	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.03	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.7	-175.8	-58.8	0	0	0	0	111.7	N399 V400 I401 K446 P494 I495 F497	N399-V501 PolarHBondContact O-N 2.9Å; V400-V501 HydrophobicContact CB-CG2 4.34Å; V400-V501 HydrophobicContact CG1-CG2 4.36Å; V400-V501 HydrophobicContact CG2-CG2 3.83Å; I401-V501 PolarHBondContact N-O 2.88Å; K446-V501 HydrophobicContact CB-CG2 4.42Å; K446-V501 HydrophobicContact CD-CG2 4.2Å; P494-V501 HydrophobicContact CB-CB 3.77Å; P494-V501 HydrophobicContact CB-CG2 4.18Å; P494-V501 HydrophobicContact CG-CB 3.78Å; P494-V501 HydrophobicContact CG-CG1 4.02Å; P494-V501 HydrophobicContact CG-CG2 4.12Å; I495-V501 CarbonylContact O-C 3.55Å; I495-V501 WeakPolarHBondContact O-CA 3.03Å; F497-V501 VanDerWaalsContact CE1-N 3.33Å
502	I	95.6	Very high	91.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.6	178.3	-63.7	164.5	0	0	0	108.4	L371 I401 L403 P494 I495 F497	L371-I502 HydrophobicContact CD1-CD1 3.62Å; I401-I502 HydrophobicContact CB-CG1 4.01Å; I401-I502 HydrophobicContact CD1-CG1 4.46Å; I401-I502 HydrophobicContact CG2-CG1 4.32Å; I401-I502 CarbonylContact O-C 3.57Å; I401-I502 WeakPolarHBondContact O-CA 3.24Å; L403-I502 HydrophobicContact CB-CG2 3.55Å; L403-I502 HydrophobicContact CD2-CG2 4.04Å; L403-I502 HydrophobicContact CG-CG2 4.46Å; P494-I502 WeakPolarHBondContact CA-O 3.01Å; P494-I502 WeakPolarHBondContact CB-O 3.4Å; I495-I502 HydrophobicContact CB-CB 4.28Å; I495-I502 PolarHBondContact N-O 2.98Å; I495-I502 PolarHBondContact O-N 2.79Å; F497-I502 HydrophobicContact CD1-CD1 3.93Å; F497-I502 HydrophobicContact CD1-CG1 3.78Å; F497-I502 HydrophobicContact CE1-CD1 4.4Å; F497-I502 HydrophobicContact CE1-CG1 3.94Å; F497-I502 HydrophobicContact CG-CD1 4.41Å
503	H	96.3	Very high	91.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	120	163.4	-74	-82.1	0	0	0	108.8	I401 L402 L403 F449 F484 A489 V505	I401-H503 PolarHBondContact O-N 3.11Å; L402-H503 HydrophobicContact CD2-CB 4.23Å; L403-H503 PolarHBondContact N-O 2.94Å; F449-H503 AromaticContact CE2-NE2 3.97Å; F484-H503 HydrophobicContact CE2-CB 4.05Å; F484-H503 AromaticContact CE2-CD2 3.69Å; F484-H503 AromaticContact CE2-CG 3.71Å; F484-H503 AromaticContact CZ-CD2 3.44Å; F484-H503 VanDerWaalsContact CZ-CD2 3.44Å; F484-H503 WeakPolarHBondContact CZ-CD2 3.23Å; F484-H503 AromaticContact CZ-CG 3.97Å; F484-H503 AromaticContact CZ-NE2 3.67Å; A489-H503 HydrophobicContact CB-CB 4.41Å; H503-V505 HydrophobicContact CB-CG1 4.3Å; H503-V505 PolarHBondContact O-N 2.74Å
504	I	97.2	Very high	91.3	Very high	19 Å²	19	19 Å²	19	10%	0.097	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.8	165.9	-59.5	178.2	0	0	0	107.4	L377 V379 L403 N405 A489 T490 I495	L377-I504 HydrophobicContact CB-CD1 4.33Å; L377-I504 HydrophobicContact CD2-CD1 4.36Å; V379-I504 HydrophobicContact CG1-CB 4.44Å; V379-I504 HydrophobicContact CG1-CD1 3.88Å; V379-I504 HydrophobicContact CG1-CG1 3.97Å; V379-I504 HydrophobicContact CG1-CG2 3.67Å; L403-I504 CarbonylContact O-C 3.15Å; L403-I504 VanDerWaalsContact O-CA 3.24Å; L403-I504 WeakPolarHBondContact O-CA 3.48Å; N405-I504 HydrophobicContact CB-CG2 4.05Å; A489-I504 CarbonylContact C-O 3.47Å; A489-I504 WeakPolarHBondContact CA-O 3.2Å; T490-I504 HydrophobicContact CG2-CB 4.39Å; T490-I504 HydrophobicContact CG2-CG2 3.87Å; T490-I504 PolarHBondContact N-O 2.92Å; T490-I504 PolarHBondContact OG1-O 2.69Å; I495-I504 HydrophobicContact CD1-CD1 3.77Å; I495-I504 HydrophobicContact CD1-CG1 4.16Å
505	V	96.1	Very high	91.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.4	-175.3	-63.9	0	0	0	0	112.4	L402 L403 S404 N405 A487 E488 H503 Q507	L402-V505 HydrophobicContact CB-CG1 4.33Å; L402-V505 HydrophobicContact CB-CG2 4.19Å; L402-V505 HydrophobicContact CD2-CG1 4.14Å; L403-V505 PolarHBondContact O-N 3.08Å; S404-V505 CarbonylContact C-O 3.59Å; S404-V505 WeakPolarHBondContact CA-O 3.44Å; N405-V505 PolarHBondContact N-O 2.96Å; A487-V505 HydrophobicContact CB-CB 3.86Å; A487-V505 HydrophobicContact CB-CG1 3.97Å; A487-V505 HydrophobicContact CB-CG2 3.94Å; E488-V505 CarbonylContact O-C 3.22Å; E488-V505 WeakPolarHBondContact O-CA 3.48Å; E488-V505 WeakPolarHBondContact O-CB 3.25Å; H503-V505 HydrophobicContact CB-CG1 4.3Å; H503-V505 PolarHBondContact O-N 2.74Å; V505-Q507 WeakPolarHBondContact CG2-O 3.36Å
506	K	93.9	Very high	91.2	Very high	84 Å²	84	17.9 Å²	17.9	37%	0.365	10%	0.097	S	C	.	.	S	Bend	trans	-81.5	-18.5	-175.9	-62.5	175.4	-175.2	171.7	0	113.6	A408 E488 T490	A408-K506 VanDerWaalsContact CA-O 3.31Å; A408-K506 WeakPolarHBondContact CA-O 3.49Å; A408-K506 VanDerWaalsContact CB-O 3.23Å; A408-K506 WeakPolarHBondContact CB-O 3.45Å; E488-K506 HydrophobicContact CG-CD 4.45Å; E488-K506 PolarHBondContact O-N 3.37Å; E488-K506 WeakPolarHBondContact OE1-CE 3.45Å; E488-K506 IonicContact OE1-NZ 3.16Å; E488-K506 PolarHBondContact OE1-NZ 2.84Å; T490-K506 HydrophobicContact CG2-CG 3.8Å
507	Q	92.1	Very high	91.4	Very high	16 Å²	16	16.4 Å²	16.4	8%	0.075	9%	0.092	C	C	.	.	S	Bend	trans	-129.8	151.6	-178.3	-57.3	84.1	-3.1	0	0	110.4	H486 V505 D591	H486-Q507 PolarHBondContact O-OE1 3.07Å; V505-Q507 WeakPolarHBondContact CG2-O 3.36Å; Q507-D591 HydrophobicContact CG-CB 4.37Å
508	V	92.3	Very high	91.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	10%	0.099	C	C	.	.			trans	-78.1	130.1	169.5	178.4	0	0	0	0	108.7	A408 F409 Y414 L428 L510	A408-V508 HydrophobicContact CB-CG2 3.95Å; F409-V508 HydrophobicContact CD1-CG2 4.08Å; F409-V508 HydrophobicContact CE1-CG2 3.96Å; F409-V508 HydrophobicContact CZ-CG2 4.48Å; Y414-V508 HydrophobicContact CD2-CB 3.72Å; Y414-V508 HydrophobicContact CD2-CG1 3.89Å; Y414-V508 HydrophobicContact CD2-CG2 3.62Å; Y414-V508 HydrophobicContact CE2-CB 4.23Å; Y414-V508 HydrophobicContact CE2-CG1 4.01Å; Y414-V508 HydrophobicContact CE2-CG2 3.91Å; Y414-V508 HydrophobicContact CG-CG2 4.33Å; L428-V508 HydrophobicContact CD1-CG1 3.63Å; L428-V508 HydrophobicContact CD2-CG1 3.85Å; L428-V508 HydrophobicContact CG-CG1 4.25Å; V508-L510 HydrophobicContact CG1-CD2 4.02Å; V508-L510 PolarHBondContact O-N 3.35Å
509	N	90.7	Very high	91.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.096	C	C	.	.			trans	-89.7	101.9	174.4	-165.7	23.9	0	0	0	108.6	L402 L428 H431 H432 V469 A487	L402-N509 HydrophobicContact CD1-CB 4.46Å; L428-N509 WeakPolarHBondContact CD1-O 3.37Å; H431-N509 PolarHBondContact CD2-O 2.91Å; H431-N509 PolarHBondContact NE2-ND2 3.1Å; H432-N509 PolarHBondContact CD2-O 3.2Å; H432-N509 PolarHBondContact NE2-N 2.75Å; H432-N509 VanDerWaalsContact NE2-N 3.12Å; H432-N509 PolarHBondContact NE2-O 2.87Å; V469-N509 WeakPolarHBondContact CG2-ND2 3.31Å; A487-N509 HydrophobicContact CB-CB 4.04Å
510	L	89.4	Confident	91.8	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.026	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-73.7	135.6	-176.5	-63.9	174.6	0	0	0	110.6	F413 Y414 N417 M418 L428 V508	F413-L510 HydrophobicContact CD1-CD1 4.25Å; F413-L510 HydrophobicContact CE1-CD1 3.45Å; F413-L510 VanDerWaalsContact CE1-CD1 3.45Å; F413-L510 HydrophobicContact CE1-CG 3.84Å; F413-L510 HydrophobicContact CZ-CD1 3.69Å; F413-L510 HydrophobicContact CZ-CG 4.32Å; Y414-L510 HydrophobicContact CD2-CD2 4.43Å; N417-L510 HydrophobicContact CB-CD1 3.34Å; M418-L510 HydrophobicContact SD-CD2 4.06Å; L428-L510 HydrophobicContact CD1-CD2 4.26Å; V508-L510 HydrophobicContact CG1-CD2 4.02Å; V508-L510 PolarHBondContact O-N 3.35Å
511	P	89.4	Confident	91.9	Very high	2 Å²	2	21 Å²	21	1%	0.013	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-66.7	150	174.7	27	-32.3	0	0	0	110.7	L423 H431 Y459 Q513	L423-P511 HydrophobicContact CD1-CG 4.23Å; L423-P511 HydrophobicContact CD2-CG 3.34Å; L423-P511 HydrophobicContact CG-CG 4.42Å; H431-P511 HydrophobicContact CB-CB 3.92Å; Y459-P511 HydrophobicContact CD1-CB 3.9Å; Y459-P511 HydrophobicContact CD2-CB 4.06Å; Y459-P511 HydrophobicContact CE1-CB 3.75Å; Y459-P511 HydrophobicContact CE2-CB 3.92Å; Y459-P511 HydrophobicContact CE2-CG 4.34Å; Y459-P511 HydrophobicContact CG-CB 4.06Å; P511-Q513 PolarHBondContact O-NE2 2.59Å
512	P	87.9	Confident	91.8	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.019	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-61.5	153	179.8	24.2	-32.5	0	0	0	112.9	Y459 H467 V647 G648	Y459-P512 HydrophobicContact CE1-CG 4.16Å; Y459-P512 PolarHBondContact OH-O 2.96Å; H467-P512 HydrophobicContact CB-CG 4.05Å; H467-P512 VanDerWaalsContact CD2-CG 3.42Å; H467-P512 WeakPolarHBondContact CD2-CG 3.48Å; H467-P512 VanDerWaalsContact CG-CG 3.45Å; P512-V647 WeakPolarHBondContact CA-O 3.44Å; P512-V647 HydrophobicContact CB-CG1 4.11Å; P512-G648 VanDerWaalsContact CB-C 3.41Å
513	Q	79.1	Confident	91.7	Very high	53 Å²	53	29.8 Å²	29.8	25%	0.248	16%	0.155	C	C	.	.			trans	-126.7	79.1	-175.4	-59.2	-68.9	-35.7	0	0	109.9	L421 P511 L519 V647	L421-Q513 HydrophobicContact CD1-CG 3.98Å; L421-Q513 HydrophobicContact CD2-CB 4.25Å; L421-Q513 HydrophobicContact CD2-CG 3.45Å; L421-Q513 VanDerWaalsContact CD2-CG 3.45Å; L421-Q513 HydrophobicContact CG-CG 4.32Å; P511-Q513 PolarHBondContact O-NE2 2.59Å; Q513-L519 VanDerWaalsContact O-CD2 3.29Å; Q513-L519 WeakPolarHBondContact O-CD2 3.49Å; Q513-V647 PolarHBondContact N-O 2.82Å
514	G	86.6	Confident	91.5	Very high	40 Å²	40	34.4 Å²	34.4	41%	0.412	19%	0.187	S	C	.	.	S	Bend	trans	78.5	-166.8	-171.5	0	0	0	0	0	112.2	S518 G648 G649	G514-S518 WeakPolarHBondContact CA-OG 3.36Å; G514-G648 CarbonylContact O-C 3.14Å; G514-G648 VanDerWaalsContact O-CA 3.29Å; G514-G648 WeakPolarHBondContact O-CA 3.27Å; G514-G649 PolarHBondContact O-N 3.12Å
515	D	90.2	Very high	91.5	Very high	29 Å²	29	36 Å²	36	16%	0.155	20%	0.196	C	C	.	.			trans	-98.5	169.4	176.9	59.3	34.1	0	0	0	111.9	S517 S518 L519 R539 D650	D515-S517 PolarHBondContact O-N 3.32Å; D515-S517 WeakPolarHBondContact OD1-CB 3.28Å; D515-S517 PolarHBondContact OD1-N 2.57Å; D515-S518 PolarHBondContact N-OG 3.27Å; D515-S518 PolarHBondContact O-N 3.45Å; D515-S518 VanDerWaalsContact O-N 3.09Å; D515-S518 PolarHBondContact O-OG 2.78Å; D515-S518 WeakPolarHBondContact OD1-CB 3.24Å; D515-S518 PolarHBondContact OD1-N 2.04Å; D515-S518 PolarHBondContact OD1-OG 2.95Å; D515-L519 WeakPolarHBondContact O-CG 3.32Å; D515-L519 PolarHBondContact O-N 2.96Å; D515-R539 IonicContact OD2-CZ 3.28Å; D515-R539 IonicContact OD2-NH1 3.83Å; D515-R539 PolarHBondContact OD2-NH1 3.36Å; D515-R539 IonicContact OD2-NH2 3.67Å; D515-R539 PolarHBondContact OD2-NH2 2.98Å; D515-D650 WeakPolarHBondContact CA-OD1 3.33Å; D515-D650 WeakPolarHBondContact CB-OD1 3.47Å
516	I	92.8	Very high	91.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-51.2	-41.4	178.2	-76.1	168.1	0	0	0	110.7	L519 I520 F533 L542 V549 F551 D650 L653	I516-L519 PolarHBondContact O-N 2.75Å; I516-I520 HydrophobicContact CG2-CD1 3.78Å; I516-I520 HydrophobicContact CG2-CG1 4.39Å; I516-I520 VanDerWaalsContact O-CG1 3.25Å; I516-I520 WeakPolarHBondContact O-CG1 3.23Å; I516-I520 PolarHBondContact O-N 3.29Å; I516-F533 HydrophobicContact CG2-CE2 3.91Å; I516-F533 HydrophobicContact CG2-CZ 4.11Å; I516-L542 HydrophobicContact CD1-CD1 4.34Å; I516-V549 HydrophobicContact CD1-CG1 4.2Å; I516-F551 HydrophobicContact CD1-CB 4.02Å; I516-F551 HydrophobicContact CG2-CB 4.27Å; I516-F551 HydrophobicContact CG2-CD1 3.94Å; I516-F551 HydrophobicContact CG2-CG 4.26Å; I516-D650 WeakPolarHBondContact CG1-OD1 3.35Å; I516-D650 PolarHBondContact N-OD1 3.34Å; I516-L653 HydrophobicContact CG2-CD1 4.43Å
517	S	94.1	Very high	91.6	Very high	12 Å²	12	39 Å²	39	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-46.4	-179.6	-170	0	0	0	0	111.7	D515 I520 Q521 F530	D515-S517 PolarHBondContact O-N 3.32Å; D515-S517 WeakPolarHBondContact OD1-CB 3.28Å; D515-S517 PolarHBondContact OD1-N 2.57Å; S517-I520 PolarHBondContact O-N 3.45Å; S517-Q521 PolarHBondContact O-N 3.37Å; S517-F530 WeakPolarHBondContact O-CE2 3.36Å; S517-F530 WeakPolarHBondContact OG-CE2 3.34Å
518	S	92.2	Very high	91.8	Very high	27 Å²	27	42.4 Å²	42.4	19%	0.189	23%	0.225	C	C	.	.	H	α-helix	trans	-65.7	-37.2	177	73.3	0	0	0	0	112.4	G514 D515 Q521 Q522	G514-S518 WeakPolarHBondContact CA-OG 3.36Å; D515-S518 PolarHBondContact N-OG 3.27Å; D515-S518 PolarHBondContact O-N 3.45Å; D515-S518 VanDerWaalsContact O-N 3.09Å; D515-S518 PolarHBondContact O-OG 2.78Å; D515-S518 WeakPolarHBondContact OD1-CB 3.24Å; D515-S518 PolarHBondContact OD1-N 2.04Å; D515-S518 PolarHBondContact OD1-OG 2.95Å; S518-Q521 PolarHBondContact O-N 2.95Å; S518-Q522 VanDerWaalsContact O-CG 3.25Å; S518-Q522 WeakPolarHBondContact O-CG 3.18Å; S518-Q522 PolarHBondContact O-N 2.79Å
519	L	92.1	Very high	92	Very high	15 Å²	15	42.4 Å²	42.4	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-68	-38	177.7	-70.4	173.6	0	0	0	112.2	Q513 D515 I516 K646 L653	Q513-L519 VanDerWaalsContact O-CD2 3.29Å; Q513-L519 WeakPolarHBondContact O-CD2 3.49Å; D515-L519 WeakPolarHBondContact O-CG 3.32Å; D515-L519 PolarHBondContact O-N 2.96Å; I516-L519 PolarHBondContact O-N 2.75Å; L519-K646 HydrophobicContact CD1-CB 4.13Å; L519-L653 HydrophobicContact CB-CD2 3.56Å
520	I	95.5	Very high	92.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-53.1	170	-65.1	165	0	0	0	108.4	I516 S517 Q522 K523 T526 I529 F530 F533 F551 A553 L653	I516-I520 HydrophobicContact CG2-CD1 3.78Å; I516-I520 HydrophobicContact CG2-CG1 4.39Å; I516-I520 VanDerWaalsContact O-CG1 3.25Å; I516-I520 WeakPolarHBondContact O-CG1 3.23Å; I516-I520 PolarHBondContact O-N 3.29Å; S517-I520 PolarHBondContact O-N 3.45Å; I520-Q522 PolarHBondContact O-N 3.42Å; I520-Q522 VanDerWaalsContact O-N 3.12Å; I520-K523 PolarHBondContact O-N 2.99Å; I520-T526 WeakPolarHBondContact CG2-OG1 3.06Å; I520-T526 PolarHBondContact O-OG1 2.98Å; I520-I529 HydrophobicContact CG2-CG2 3.91Å; I520-F530 HydrophobicContact CB-CD2 4.33Å; I520-F530 HydrophobicContact CG2-CB 3.76Å; I520-F530 HydrophobicContact CG2-CD2 4.02Å; I520-F530 HydrophobicContact CG2-CG 4.37Å; I520-F533 HydrophobicContact CD1-CD2 4.09Å; I520-F533 HydrophobicContact CD1-CE2 4.29Å; I520-F551 HydrophobicContact CD1-CD1 4.06Å; I520-F551 HydrophobicContact CD1-CE1 3.73Å; I520-A553 HydrophobicContact CD1-CB 4.47Å; I520-A553 HydrophobicContact CG1-CB 4.24Å; I520-L653 HydrophobicContact CD1-CD1 4.5Å; I520-L653 HydrophobicContact CG1-CD1 4.08Å; I520-L653 HydrophobicContact CG1-CD2 3.86Å
521	Q	94.1	Very high	92.7	Very high	129 Å²	129	48.3 Å²	48.3	60%	0.603	26%	0.258	S	S	*	.	H	α-helix	trans	-57.4	-33.8	-176.4	-165.9	179.3	21.6	0	0	114.1	S517 S518 K523 F530	S517-Q521 PolarHBondContact O-N 3.37Å; S518-Q521 PolarHBondContact O-N 2.95Å; Q521-K523 PolarHBondContact O-N 3.36Å; Q521-F530 HydrophobicContact CB-CD2 4.08Å; Q521-F530 HydrophobicContact CB-CE2 3.72Å; Q521-F530 HydrophobicContact CB-CZ 4.12Å; Q521-F530 HydrophobicContact CG-CE1 4.41Å; Q521-F530 HydrophobicContact CG-CE2 4.15Å; Q521-F530 HydrophobicContact CG-CZ 4.02Å
522	Q	90.8	Very high	93	Very high	139 Å²	139	49 Å²	49	65%	0.65	26%	0.26	S	S	*	.	H	α-helix	trans	-64.5	-25.3	176.9	-75.4	168.8	27.7	0	0	113.2	S518 I520	S518-Q522 VanDerWaalsContact O-CG 3.25Å; S518-Q522 WeakPolarHBondContact O-CG 3.18Å; S518-Q522 PolarHBondContact O-N 2.79Å; I520-Q522 PolarHBondContact O-N 3.42Å; I520-Q522 VanDerWaalsContact O-N 3.12Å
523	K	92.4	Very high	93.5	Very high	50 Å²	50	48.9 Å²	48.9	22%	0.217	26%	0.26	C	S	.	.	S	Bend	trans	-91.6	111.8	-179.2	-177.1	165.3	168.2	53.2	0	110.2	I520 Q521 D525 T526 F655	I520-K523 PolarHBondContact O-N 2.99Å; Q521-K523 PolarHBondContact O-N 3.36Å; K523-D525 VanDerWaalsContact CE-OD1 3.22Å; K523-D525 WeakPolarHBondContact CE-OD1 3.49Å; K523-D525 WeakPolarHBondContact CG-OD1 3.37Å; K523-D525 IonicContact NZ-OD1 3.21Å; K523-D525 PolarHBondContact NZ-OD1 3.24Å; K523-D525 IonicContact NZ-OD2 2.64Å; K523-D525 PolarHBondContact NZ-OD2 3.17Å; K523-D525 PolarHBondContact O-N 2.71Å; K523-D525 VanDerWaalsContact O-N 3.1Å; K523-T526 HydrophobicContact CB-CG2 4.11Å; K523-T526 HydrophobicContact CD-CG2 3.84Å; K523-T526 HydrophobicContact CG-CG2 3.79Å; K523-T526 PolarHBondContact O-N 3.16Å; K523-T526 PolarHBondContact O-OG1 3.12Å; K523-F655 HydrophobicContact CB-CE1 4.29Å; K523-F655 HydrophobicContact CB-CZ 3.96Å; K523-F655 HydrophobicContact CD-CD1 3.72Å; K523-F655 HydrophobicContact CD-CD2 3.64Å; K523-F655 HydrophobicContact CD-CE1 3.62Å; K523-F655 HydrophobicContact CD-CE2 3.49Å; K523-F655 VanDerWaalsContact CD-CE2 3.49Å; K523-F655 HydrophobicContact CD-CG 3.74Å; K523-F655 HydrophobicContact CD-CZ 3.48Å; K523-F655 VanDerWaalsContact CD-CZ 3.48Å; K523-F655 HydrophobicContact CG-CE1 4.46Å; K523-F655 HydrophobicContact CG-CZ 4.32Å
524	S	93.5	Very high	94.3	Very high	99 Å²	99	50.8 Å²	50.8	69%	0.692	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.2	-168.7	56.7	0	0	0	0	115.4
525	D	96.1	Very high	94.7	Very high	52 Å²	52	51.9 Å²	51.9	28%	0.278	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	33.3	179.5	60.3	-38	0	0	0	112.9	K523 I555 D556	K523-D525 VanDerWaalsContact CE-OD1 3.22Å; K523-D525 WeakPolarHBondContact CE-OD1 3.49Å; K523-D525 WeakPolarHBondContact CG-OD1 3.37Å; K523-D525 IonicContact NZ-OD1 3.21Å; K523-D525 PolarHBondContact NZ-OD1 3.24Å; K523-D525 IonicContact NZ-OD2 2.64Å; K523-D525 PolarHBondContact NZ-OD2 3.17Å; K523-D525 PolarHBondContact O-N 2.71Å; K523-D525 VanDerWaalsContact O-N 3.1Å; D525-I555 CarbonylContact O-C 3.51Å; D525-I555 WeakPolarHBondContact O-CA 3.29Å; D525-D556 WeakPolarHBondContact CA-OD2 3.43Å; D525-D556 VanDerWaalsContact O-CG 3.31Å; D525-D556 PolarHBondContact O-N 3.08Å
526	T	96.7	Very high	95	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	27%	0.265	C	S	.	.			trans	-134.5	29.6	177.4	62.1	0	0	0	0	113.7	I520 K523 E528 I529 F530 I555 D556 F655	I520-T526 WeakPolarHBondContact CG2-OG1 3.06Å; I520-T526 PolarHBondContact O-OG1 2.98Å; K523-T526 HydrophobicContact CB-CG2 4.11Å; K523-T526 HydrophobicContact CD-CG2 3.84Å; K523-T526 HydrophobicContact CG-CG2 3.79Å; K523-T526 PolarHBondContact O-N 3.16Å; K523-T526 PolarHBondContact O-OG1 3.12Å; T526-E528 PolarHBondContact O-N 3.34Å; T526-I529 HydrophobicContact CG2-CG2 4.42Å; T526-I529 VanDerWaalsContact O-CG2 3.25Å; T526-I529 WeakPolarHBondContact O-CG2 3.1Å; T526-F530 VanDerWaalsContact O-CB 3.3Å; T526-F530 WeakPolarHBondContact O-CB 3.45Å; T526-F530 PolarHBondContact O-N 3.22Å; T526-F530 VanDerWaalsContact O-N 3.07Å; T526-I555 HydrophobicContact CG2-CG2 4.26Å; T526-D556 VanDerWaalsContact C-OD1 3.25Å; T526-D556 WeakPolarHBondContact CA-OD1 3.42Å; T526-D556 PolarHBondContact N-OD2 2.98Å; T526-F655 HydrophobicContact CG2-CD1 3.79Å; T526-F655 HydrophobicContact CG2-CE1 3.71Å
527	K	96.3	Very high	95.1	Very high	144 Å²	144	55 Å²	55	63%	0.626	29%	0.289	S	S	*	.	H	α-helix	trans	-65.5	-36.8	-178.1	-63.7	178.1	-176.9	176.8	0	113	T531 D556	K527-T531 WeakPolarHBondContact O-CB 3.21Å; K527-T531 PolarHBondContact O-N 3.2Å; K527-T531 PolarHBondContact O-OG1 2.97Å; K527-D556 VanDerWaalsContact N-CG 3.33Å; K527-D556 PolarHBondContact N-OD1 3.4Å; K527-D556 PolarHBondContact N-OD2 2.74Å
528	E	95.9	Very high	95.2	Very high	88 Å²	88	54.5 Å²	54.5	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-66.8	-50.5	-177.8	-70.6	-60.7	156.9	0	0	111	T526 F530 T531 K532 D556 W559	T526-E528 PolarHBondContact O-N 3.34Å; E528-F530 VanDerWaalsContact C-N 3.33Å; E528-F530 PolarHBondContact O-N 3.23Å; E528-T531 PolarHBondContact O-N 3.16Å; E528-K532 WeakPolarHBondContact O-CG 3.5Å; E528-K532 PolarHBondContact O-N 3.08Å; E528-K532 VanDerWaalsContact O-N 3.09Å; E528-D556 PolarHBondContact N-OD1 2.99Å; E528-W559 HydrophobicContact CB-CB 4.44Å; E528-W559 HydrophobicContact CB-CD2 4.18Å; E528-W559 HydrophobicContact CB-CG 3.85Å; E528-W559 HydrophobicContact CG-CB 4.2Å; E528-W559 HydrophobicContact CG-CG 4.15Å
529	I	97.3	Very high	95.2	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-37.9	177.7	-173.3	62.3	0	0	0	111.4	I520 T526 T531 K532 F533 F551 A553 P554 W559 L577	I520-I529 HydrophobicContact CG2-CG2 3.91Å; T526-I529 HydrophobicContact CG2-CG2 4.42Å; T526-I529 VanDerWaalsContact O-CG2 3.25Å; T526-I529 WeakPolarHBondContact O-CG2 3.1Å; I529-T531 PolarHBondContact O-N 3.39Å; I529-K532 PolarHBondContact O-N 3.03Å; I529-F533 VanDerWaalsContact O-CB 3.28Å; I529-F533 WeakPolarHBondContact O-CB 3.42Å; I529-F533 PolarHBondContact O-N 2.95Å; I529-F551 HydrophobicContact CD1-CZ 4.18Å; I529-F551 HydrophobicContact CG1-CE1 4.24Å; I529-F551 HydrophobicContact CG1-CZ 4.31Å; I529-A553 HydrophobicContact CG1-CB 4.3Å; I529-A553 HydrophobicContact CG2-CB 4.29Å; I529-P554 WeakPolarHBondContact CG2-O 3.23Å; I529-W559 HydrophobicContact CB-CZ2 4.3Å; I529-W559 HydrophobicContact CD1-CZ2 4.07Å; I529-L577 HydrophobicContact CD1-CD2 3.41Å; I529-L577 VanDerWaalsContact CD1-CD2 3.41Å
530	F	97.5	Very high	95.2	Very high	44 Å²	44	64.7 Å²	64.7	19%	0.193	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-45.8	174.5	-174.6	-105.8	0	0	0	111.9	S517 I520 Q521 T526 E528 K532 F533 I534	S517-F530 WeakPolarHBondContact O-CE2 3.36Å; S517-F530 WeakPolarHBondContact OG-CE2 3.34Å; I520-F530 HydrophobicContact CB-CD2 4.33Å; I520-F530 HydrophobicContact CG2-CB 3.76Å; I520-F530 HydrophobicContact CG2-CD2 4.02Å; I520-F530 HydrophobicContact CG2-CG 4.37Å; Q521-F530 HydrophobicContact CB-CD2 4.08Å; Q521-F530 HydrophobicContact CB-CE2 3.72Å; Q521-F530 HydrophobicContact CB-CZ 4.12Å; Q521-F530 HydrophobicContact CG-CE1 4.41Å; Q521-F530 HydrophobicContact CG-CE2 4.15Å; Q521-F530 HydrophobicContact CG-CZ 4.02Å; T526-F530 VanDerWaalsContact O-CB 3.3Å; T526-F530 WeakPolarHBondContact O-CB 3.45Å; T526-F530 PolarHBondContact O-N 3.22Å; T526-F530 VanDerWaalsContact O-N 3.07Å; E528-F530 VanDerWaalsContact C-N 3.33Å; E528-F530 PolarHBondContact O-N 3.23Å; F530-K532 VanDerWaalsContact C-N 3.35Å; F530-K532 PolarHBondContact O-N 3.05Å; F530-F533 WeakPolarHBondContact O-CB 3.42Å; F530-F533 PolarHBondContact O-N 2.78Å; F530-I534 HydrophobicContact CD1-CG1 4.34Å; F530-I534 HydrophobicContact CE1-CG1 3.96Å; F530-I534 HydrophobicContact CE2-CD1 4.21Å; F530-I534 HydrophobicContact CE2-CG1 4.14Å; F530-I534 HydrophobicContact CZ-CD1 4.08Å; F530-I534 HydrophobicContact CZ-CG1 3.85Å; F530-I534 WeakPolarHBondContact O-CG1 3.36Å; F530-I534 PolarHBondContact O-N 2.98Å
531	T	96.6	Very high	95	Very high	85 Å²	85	66.6 Å²	66.6	52%	0.521	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-43.2	178.7	-58.7	0	0	0	0	111.6	K527 E528 I529 S535	K527-T531 WeakPolarHBondContact O-CB 3.21Å; K527-T531 PolarHBondContact O-N 3.2Å; K527-T531 PolarHBondContact O-OG1 2.97Å; E528-T531 PolarHBondContact O-N 3.16Å; I529-T531 PolarHBondContact O-N 3.39Å; T531-S535 VanDerWaalsContact O-CB 3.3Å; T531-S535 WeakPolarHBondContact O-CB 3.37Å; T531-S535 PolarHBondContact O-N 2.66Å; T531-S535 PolarHBondContact O-OG 3.05Å
532	K	96.6	Very high	94.8	Very high	15 Å²	15	60.4 Å²	60.4	7%	0.065	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-39.6	175.2	-69.4	176.4	-176.3	-66.4	0	111.8	E528 I529 F530 S535 T536 W559 E565 N573	E528-K532 WeakPolarHBondContact O-CG 3.5Å; E528-K532 PolarHBondContact O-N 3.08Å; E528-K532 VanDerWaalsContact O-N 3.09Å; I529-K532 PolarHBondContact O-N 3.03Å; F530-K532 VanDerWaalsContact C-N 3.35Å; F530-K532 PolarHBondContact O-N 3.05Å; K532-S535 WeakPolarHBondContact CA-OG 3.27Å; K532-S535 PolarHBondContact O-OG 3.35Å; K532-T536 WeakPolarHBondContact O-CB 3.5Å; K532-T536 WeakPolarHBondContact O-CG2 3.48Å; K532-T536 PolarHBondContact O-N 3.1Å; K532-T536 PolarHBondContact O-OG1 3.2Å; K532-W559 HydrophobicContact CD-CH2 3.66Å; K532-W559 HydrophobicContact CD-CZ2 4.27Å; K532-W559 HydrophobicContact CD-CZ3 3.92Å; K532-W559 VanDerWaalsContact CE-CZ3 3.44Å; K532-E565 PolarHBondContact NZ-O 2.84Å; K532-N573 WeakPolarHBondContact CD-OD1 3.31Å; K532-N573 PolarHBondContact NZ-OD1 2.04Å
533	F	96.9	Very high	94.8	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-44.9	178.2	-169	-79.4	0	0	0	112.2	I516 I520 I529 F530 T536 F538 R539 L542 F551	I516-F533 HydrophobicContact CG2-CE2 3.91Å; I516-F533 HydrophobicContact CG2-CZ 4.11Å; I520-F533 HydrophobicContact CD1-CD2 4.09Å; I520-F533 HydrophobicContact CD1-CE2 4.29Å; I529-F533 VanDerWaalsContact O-CB 3.28Å; I529-F533 WeakPolarHBondContact O-CB 3.42Å; I529-F533 PolarHBondContact O-N 2.95Å; F530-F533 WeakPolarHBondContact O-CB 3.42Å; F530-F533 PolarHBondContact O-N 2.78Å; F533-T536 PolarHBondContact O-OG1 2.79Å; F533-F538 HydrophobicContact CD1-CB 4.41Å; F533-F538 HydrophobicContact CD2-CB 4.22Å; F533-F538 HydrophobicContact CD2-CD1 4.04Å; F533-F538 HydrophobicContact CE2-CB 4.43Å; F533-F538 AromaticContact CE2-CD1 3.84Å; F533-F538 HydrophobicContact CE2-CD1 3.84Å; F533-F538 HydrophobicContact CG-CB 4.24Å; F533-F538 HydrophobicContact CZ-CD1 4.47Å; F533-F538 WeakPolarHBondContact O-CB 3.13Å; F533-F538 PolarHBondContact O-N 2.81Å; F533-F538 VanDerWaalsContact O-N 3.09Å; F533-R539 HydrophobicContact CE1-CB 4.16Å; F533-L542 HydrophobicContact CE2-CD1 3.42Å; F533-L542 VanDerWaalsContact CE2-CD1 3.42Å; F533-L542 HydrophobicContact CZ-CD1 3.34Å; F533-F551 HydrophobicContact CD2-CE1 4.18Å; F533-F551 AromaticContact CD2-CZ 3.99Å; F533-F551 HydrophobicContact CD2-CZ 3.99Å; F533-F551 HydrophobicContact CE2-CE1 4.37Å; F533-F551 HydrophobicContact CE2-CZ 4.33Å
534	I	96.3	Very high	94.6	Very high	93 Å²	93	61.8 Å²	61.8	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-72.2	-49.1	178.9	-62.4	-60.4	0	0	0	111.4	F530 T536 N537	F530-I534 HydrophobicContact CD1-CG1 4.34Å; F530-I534 HydrophobicContact CE1-CG1 3.96Å; F530-I534 HydrophobicContact CE2-CD1 4.21Å; F530-I534 HydrophobicContact CE2-CG1 4.14Å; F530-I534 HydrophobicContact CZ-CD1 4.08Å; F530-I534 HydrophobicContact CZ-CG1 3.85Å; F530-I534 WeakPolarHBondContact O-CG1 3.36Å; F530-I534 PolarHBondContact O-N 2.98Å; I534-T536 PolarHBondContact O-N 3.05Å; I534-T536 VanDerWaalsContact O-N 3.15Å; I534-N537 PolarHBondContact O-N 3.08Å
535	S	95.9	Very high	94.4	Very high	63 Å²	63	60.1 Å²	60.1	44%	0.441	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-25.5	-176.3	56.1	0	0	0	0	114.1	T531 K532	T531-S535 VanDerWaalsContact O-CB 3.3Å; T531-S535 WeakPolarHBondContact O-CB 3.37Å; T531-S535 PolarHBondContact O-N 2.66Å; T531-S535 PolarHBondContact O-OG 3.05Å; K532-S535 WeakPolarHBondContact CA-OG 3.27Å; K532-S535 PolarHBondContact O-OG 3.35Å
536	T	96.5	Very high	94.1	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.018	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.9	178.2	57.2	0	0	0	0	113.8	K532 F533 I534 F538 V570 N573 R574 L577	K532-T536 WeakPolarHBondContact O-CB 3.5Å; K532-T536 WeakPolarHBondContact O-CG2 3.48Å; K532-T536 PolarHBondContact O-N 3.1Å; K532-T536 PolarHBondContact O-OG1 3.2Å; F533-T536 PolarHBondContact O-OG1 2.79Å; I534-T536 PolarHBondContact O-N 3.05Å; I534-T536 VanDerWaalsContact O-N 3.15Å; T536-F538 VanDerWaalsContact C-N 3.25Å; T536-F538 PolarHBondContact O-N 2.81Å; T536-V570 HydrophobicContact CG2-CG1 4.05Å; T536-V570 WeakPolarHBondContact CG2-O 3.38Å; T536-N573 HydrophobicContact CG2-CB 3.7Å; T536-R574 HydrophobicContact CG2-CB 4.24Å; T536-R574 PolarHBondContact O-NE 3.05Å; T536-R574 PolarHBondContact O-NH2 3.09Å; T536-L577 HydrophobicContact CG2-CD1 4.17Å; T536-L577 WeakPolarHBondContact OG1-CD1 3.44Å
537	N	94.7	Very high	93.7	Very high	92 Å²	92	60.7 Å²	60.7	49%	0.492	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	40.9	-169.7	-166.7	30.7	0	0	0	112.6	I534 R539 Q540	I534-N537 PolarHBondContact O-N 3.08Å; N537-R539 PolarHBondContact O-N 2.76Å; N537-Q540 PolarHBondContact ND2-OE1 3.26Å; N537-Q540 PolarHBondContact O-N 2.99Å
538	F	95.9	Very high	93.4	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-24.2	-168.3	-159.1	-113	0	0	0	114	F533 T536 Q540 Q541 L542 F551 R574 L577 Q578 T581	F533-F538 HydrophobicContact CD1-CB 4.41Å; F533-F538 HydrophobicContact CD2-CB 4.22Å; F533-F538 HydrophobicContact CD2-CD1 4.04Å; F533-F538 HydrophobicContact CE2-CB 4.43Å; F533-F538 AromaticContact CE2-CD1 3.84Å; F533-F538 HydrophobicContact CE2-CD1 3.84Å; F533-F538 HydrophobicContact CG-CB 4.24Å; F533-F538 HydrophobicContact CZ-CD1 4.47Å; F533-F538 WeakPolarHBondContact O-CB 3.13Å; F533-F538 PolarHBondContact O-N 2.81Å; F533-F538 VanDerWaalsContact O-N 3.09Å; T536-F538 VanDerWaalsContact C-N 3.25Å; T536-F538 PolarHBondContact O-N 2.81Å; F538-Q540 PolarHBondContact O-N 3.27Å; F538-Q541 HydrophobicContact CD2-CB 4.27Å; F538-Q541 HydrophobicContact CE2-CB 4.26Å; F538-Q541 HydrophobicContact CE2-CG 4.28Å; F538-Q541 WeakPolarHBondContact O-CB 3.44Å; F538-Q541 PolarHBondContact O-N 3Å; F538-L542 HydrophobicContact CD1-CD1 3.76Å; F538-L542 HydrophobicContact CD1-CD2 4.43Å; F538-L542 HydrophobicContact CD1-CG 3.76Å; F538-L542 HydrophobicContact CE1-CD1 4.06Å; F538-L542 HydrophobicContact CE1-CD2 3.91Å; F538-L542 HydrophobicContact CE1-CG 3.71Å; F538-L542 PolarHBondContact O-N 3.33Å; F538-F551 HydrophobicContact CD1-CE2 4.3Å; F538-F551 HydrophobicContact CE1-CD2 4.22Å; F538-F551 AromaticContact CE1-CE2 3.92Å; F538-F551 HydrophobicContact CE1-CE2 3.92Å; F538-R574 HydrophobicContact CD2-CG 4.3Å; F538-R574 HydrophobicContact CE2-CG 4.44Å; F538-L577 HydrophobicContact CB-CD1 3.81Å; F538-L577 HydrophobicContact CD1-CB 4.06Å; F538-L577 HydrophobicContact CD1-CD1 4.26Å; F538-L577 HydrophobicContact CD2-CB 3.71Å; F538-L577 HydrophobicContact CD2-CD1 3.81Å; F538-L577 HydrophobicContact CD2-CG 4.43Å; F538-L577 HydrophobicContact CE1-CB 3.87Å; F538-L577 HydrophobicContact CE2-CB 3.52Å; F538-L577 HydrophobicContact CE2-CD1 4.49Å; F538-L577 HydrophobicContact CG-CB 3.99Å; F538-L577 HydrophobicContact CG-CD1 3.69Å; F538-L577 HydrophobicContact CG-CG 4.46Å; F538-L577 HydrophobicContact CZ-CB 3.61Å; F538-Q578 HydrophobicContact CE2-CG 3.92Å; F538-Q578 HydrophobicContact CZ-CG 4.28Å; F538-T581 WeakPolarHBondContact CE1-OG1 3.38Å; F538-T581 WeakPolarHBondContact CZ-OG1 3.5Å
539	R	92.5	Very high	93.3	Very high	133 Å²	133	50.5 Å²	50.5	50%	0.502	26%	0.263	S	S	.	.	H	α-helix	trans	-52.2	-40	174.4	-173.8	-178.6	-178.9	136.8	10.5	112.4	D515 F533 N537 Q541 L542 S543	D515-R539 IonicContact OD2-CZ 3.28Å; D515-R539 IonicContact OD2-NH1 3.83Å; D515-R539 PolarHBondContact OD2-NH1 3.36Å; D515-R539 IonicContact OD2-NH2 3.67Å; D515-R539 PolarHBondContact OD2-NH2 2.98Å; F533-R539 HydrophobicContact CE1-CB 4.16Å; N537-R539 PolarHBondContact O-N 2.76Å; R539-Q541 VanDerWaalsContact C-N 3.3Å; R539-Q541 PolarHBondContact O-N 2.54Å; R539-L542 PolarHBondContact O-N 3.41Å; R539-S543 PolarHBondContact O-N 2.85Å
540	Q	91.4	Very high	93.2	Very high	124 Å²	124	50.4 Å²	50.4	58%	0.579	26%	0.262	S	S	*	.	H	α-helix	trans	-64.2	-38.3	178.6	-173.1	178	3.5	0	0	111.4	N537 F538 S543	N537-Q540 PolarHBondContact ND2-OE1 3.26Å; N537-Q540 PolarHBondContact O-N 2.99Å; F538-Q540 PolarHBondContact O-N 3.27Å; Q540-S543 PolarHBondContact O-OG 3.36Å
541	Q	90.6	Very high	93.2	Very high	39 Å²	39	48.3 Å²	48.3	18%	0.182	25%	0.253	C	S	.	.	H	α-helix	trans	-70.8	-41.3	177	-175.7	165.4	-1	0	0	111.8	F538 R539 S543 Q544 Q578	F538-Q541 HydrophobicContact CD2-CB 4.27Å; F538-Q541 HydrophobicContact CE2-CB 4.26Å; F538-Q541 HydrophobicContact CE2-CG 4.28Å; F538-Q541 WeakPolarHBondContact O-CB 3.44Å; F538-Q541 PolarHBondContact O-N 3Å; R539-Q541 VanDerWaalsContact C-N 3.3Å; R539-Q541 PolarHBondContact O-N 2.54Å; Q541-S543 VanDerWaalsContact C-N 3.29Å; Q541-S543 PolarHBondContact O-N 2.77Å; Q541-Q544 PolarHBondContact O-N 3.45Å; Q541-Q578 VanDerWaalsContact CD-NE2 3.32Å; Q541-Q578 VanDerWaalsContact NE2-CG 3.34Å
542	L	91.3	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-38.9	175.9	-77.8	170.1	0	0	0	112.5	I516 F533 F538 R539 Q544 H545 S546 V549 T581	I516-L542 HydrophobicContact CD1-CD1 4.34Å; F533-L542 HydrophobicContact CE2-CD1 3.42Å; F533-L542 VanDerWaalsContact CE2-CD1 3.42Å; F533-L542 HydrophobicContact CZ-CD1 3.34Å; F538-L542 HydrophobicContact CD1-CD1 3.76Å; F538-L542 HydrophobicContact CD1-CD2 4.43Å; F538-L542 HydrophobicContact CD1-CG 3.76Å; F538-L542 HydrophobicContact CE1-CD1 4.06Å; F538-L542 HydrophobicContact CE1-CD2 3.91Å; F538-L542 HydrophobicContact CE1-CG 3.71Å; F538-L542 PolarHBondContact O-N 3.33Å; R539-L542 PolarHBondContact O-N 3.41Å; L542-Q544 PolarHBondContact O-N 3Å; L542-H545 PolarHBondContact O-N 2.96Å; L542-S546 PolarHBondContact O-N 3.19Å; L542-S546 PolarHBondContact O-OG 2.64Å; L542-V549 HydrophobicContact CD2-CG1 4.23Å; L542-V549 HydrophobicContact CD2-CG2 3.85Å; L542-T581 HydrophobicContact CD2-CG2 3.6Å
543	S	89.4	Confident	93.3	Very high	75 Å²	75	43.5 Å²	43.5	52%	0.524	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.9	-177.9	74.8	0	0	0	0	114.5	R539 Q540 Q541 H545	R539-S543 PolarHBondContact O-N 2.85Å; Q540-S543 PolarHBondContact O-OG 3.36Å; Q541-S543 VanDerWaalsContact C-N 3.29Å; Q541-S543 PolarHBondContact O-N 2.77Å; S543-H545 VanDerWaalsContact C-N 3.28Å; S543-H545 PolarHBondContact O-N 2.99Å
544	Q	89.6	Confident	93.3	Very high	143 Å²	143	43.5 Å²	43.5	67%	0.668	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.3	176.6	-60.9	178.4	-4.9	0	0	113.2	Q541 L542	Q541-Q544 PolarHBondContact O-N 3.45Å; L542-Q544 PolarHBondContact O-N 3Å
545	H	89.4	Confident	93.4	Very high	64 Å²	64	39.8 Å²	39.8	30%	0.296	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-8.4	-178.1	-60.7	-75.8	0	0	0	112.8	L542 S543 N548 V549 L605	L542-H545 PolarHBondContact O-N 2.96Å; S543-H545 VanDerWaalsContact C-N 3.28Å; S543-H545 PolarHBondContact O-N 2.99Å; H545-N548 CarbonylContact O-C 3.49Å; H545-N548 PolarHBondContact O-N 3.18Å; H545-V549 HydrophobicContact CB-CB 4.27Å; H545-V549 HydrophobicContact CB-CG2 4.39Å; H545-L605 WeakPolarHBondContact NE2-CD2 3.25Å
546	S	88.5	Confident	93.4	Very high	37 Å²	37	38.4 Å²	38.4	26%	0.259	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	145.1	179.1	-65.8	0	0	0	0	112.7	L542 D650	L542-S546 PolarHBondContact O-N 3.19Å; L542-S546 PolarHBondContact O-OG 2.64Å; S546-D650 WeakPolarHBondContact CB-O 3.49Å; S546-D650 PolarHBondContact OG-O 3.21Å
547	P	88.1	Confident	93.4	Very high	29 Å²	29	43.6 Å²	43.6	19%	0.188	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.1	8	-2.3	35.5	-30.1	0	0	0	113.3	Y470 V549 G649 G651	Y470-P547 HydrophobicContact CE2-CG 4Å; P547-V549 PolarHBondContact O-N 2.83Å; P547-G649 WeakPolarHBondContact CB-O 3.22Å; P547-G651 WeakPolarHBondContact O-CA 3.19Å
548	N	90.4	Very high	93.4	Very high	17 Å²	17	39.5 Å²	39.5	9%	0.091	20%	0.2	C	C	.	.	S	Bend	trans	-85.8	56.9	-178.6	-168.2	21	0	0	0	112.2	E452 Y470 R472 H545 P583 H584 G585	E452-N548 PolarHBondContact OE2-ND2 2.94Å; Y470-N548 HydrophobicContact CD1-CB 4.33Å; Y470-N548 HydrophobicContact CD2-CB 4.22Å; Y470-N548 HydrophobicContact CE1-CB 3.89Å; Y470-N548 HydrophobicContact CE2-CB 3.83Å; Y470-N548 HydrophobicContact CG-CB 4.46Å; R472-N548 PolarHBondContact NH2-OD1 3.09Å; H545-N548 CarbonylContact O-C 3.49Å; H545-N548 PolarHBondContact O-N 3.18Å; N548-P583 CarbonylContact O-C 3.55Å; N548-P583 VanDerWaalsContact O-C 3.22Å; N548-H584 VanDerWaalsContact O-CA 3.29Å; N548-H584 WeakPolarHBondContact O-CA 3.19Å; N548-H584 PolarHBondContact O-N 2.96Å; N548-G585 VanDerWaalsContact C-N 3.33Å; N548-G585 PolarHBondContact O-N 2.87Å; N548-G585 PolarHBondContact OD1-N 2.85Å
549	V	94.2	Very high	93.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.			trans	-134.9	147.1	-177.9	68.7	0	0	0	0	110.1	I516 L542 H545 P547 T581 I582 D650 G651 I652	I516-V549 HydrophobicContact CD1-CG1 4.2Å; L542-V549 HydrophobicContact CD2-CG1 4.23Å; L542-V549 HydrophobicContact CD2-CG2 3.85Å; H545-V549 HydrophobicContact CB-CB 4.27Å; H545-V549 HydrophobicContact CB-CG2 4.39Å; P547-V549 PolarHBondContact O-N 2.83Å; V549-T581 HydrophobicContact CG2-CG2 3.28Å; V549-I582 WeakPolarHBondContact CA-O 3.01Å; V549-I582 VanDerWaalsContact CG2-O 3.3Å; V549-I582 WeakPolarHBondContact CG2-O 3.22Å; V549-D650 WeakPolarHBondContact CG1-O 3.45Å; V549-G651 WeakPolarHBondContact O-CA 3.3Å; V549-I652 PolarHBondContact O-N 2.55Å
550	L	95	Very high	93.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.1	170.6	169.1	62.4	0	0	0	109	L552 T581 I582 F586 I652 W654	L550-L552 HydrophobicContact CD2-CD2 4.47Å; L550-L552 HydrophobicContact CG-CD2 4.32Å; L550-T581 WeakPolarHBondContact O-CA 3.26Å; L550-I582 HydrophobicContact CB-CB 4.27Å; L550-I582 HydrophobicContact CD2-CD1 3.89Å; L550-I582 HydrophobicContact CG-CD1 4.36Å; L550-I582 PolarHBondContact N-O 3.25Å; L550-I582 PolarHBondContact O-N 3.1Å; L550-F586 HydrophobicContact CD2-CD1 4.45Å; L550-F586 HydrophobicContact CD2-CD2 4.19Å; L550-F586 HydrophobicContact CD2-CE1 3.97Å; L550-F586 HydrophobicContact CD2-CE2 3.66Å; L550-F586 HydrophobicContact CD2-CZ 3.54Å; L550-I652 CarbonylContact C-O 3.58Å; L550-I652 WeakPolarHBondContact CA-O 3.28Å; L550-I652 HydrophobicContact CD1-CB 4.03Å; L550-I652 HydrophobicContact CD1-CG2 3.79Å; L550-W654 HydrophobicContact CD1-CB 4.4Å; L550-W654 HydrophobicContact CD1-CD2 3.89Å; L550-W654 HydrophobicContact CD1-CG 3.71Å; L550-W654 HydrophobicContact CD2-CD2 4.14Å; L550-W654 HydrophobicContact CD2-CE3 4.3Å; L550-W654 HydrophobicContact CD2-CH2 4.13Å; L550-W654 HydrophobicContact CD2-CZ2 3.89Å; L550-W654 HydrophobicContact CD2-CZ3 4.32Å
551	F	97.3	Very high	93.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.5	175.4	-172.5	-106.5	0	0	0	111	I516 I520 I529 F533 F538 A553 L577 H580 T581 I652 L653 W654	I516-F551 HydrophobicContact CD1-CB 4.02Å; I516-F551 HydrophobicContact CG2-CB 4.27Å; I516-F551 HydrophobicContact CG2-CD1 3.94Å; I516-F551 HydrophobicContact CG2-CG 4.26Å; I520-F551 HydrophobicContact CD1-CD1 4.06Å; I520-F551 HydrophobicContact CD1-CE1 3.73Å; I529-F551 HydrophobicContact CD1-CZ 4.18Å; I529-F551 HydrophobicContact CG1-CE1 4.24Å; I529-F551 HydrophobicContact CG1-CZ 4.31Å; F533-F551 HydrophobicContact CD2-CE1 4.18Å; F533-F551 AromaticContact CD2-CZ 3.99Å; F533-F551 HydrophobicContact CD2-CZ 3.99Å; F533-F551 HydrophobicContact CE2-CE1 4.37Å; F533-F551 HydrophobicContact CE2-CZ 4.33Å; F538-F551 HydrophobicContact CD1-CE2 4.3Å; F538-F551 HydrophobicContact CE1-CD2 4.22Å; F538-F551 AromaticContact CE1-CE2 3.92Å; F538-F551 HydrophobicContact CE1-CE2 3.92Å; F551-A553 HydrophobicContact CD1-CB 4.13Å; F551-A553 HydrophobicContact CE1-CB 3.88Å; F551-L577 HydrophobicContact CE2-CB 4.48Å; F551-L577 HydrophobicContact CE2-CD2 4.16Å; F551-L577 HydrophobicContact CZ-CD2 3.78Å; F551-H580 HydrophobicContact CE2-CB 4.3Å; F551-T581 VanDerWaalsContact CD2-OG1 3.32Å; F551-T581 WeakPolarHBondContact CD2-OG1 3.16Å; F551-I652 PolarHBondContact N-O 3.31Å; F551-L653 HydrophobicContact CB-CD1 4.42Å; F551-L653 HydrophobicContact CD1-CD1 3.68Å; F551-L653 WeakPolarHBondContact O-CA 3.32Å; F551-W654 PolarHBondContact O-N 3.48Å
552	L	97.5	Very high	93.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	108.4	178.9	-53.9	175	0	0	0	108.9	L550 P554 H580 I582 L616 V628 W654 I656 M660	L550-L552 HydrophobicContact CD2-CD2 4.47Å; L550-L552 HydrophobicContact CG-CD2 4.32Å; L552-P554 WeakPolarHBondContact O-CD 3.25Å; L552-H580 HydrophobicContact CB-CB 4.22Å; L552-H580 PolarHBondContact N-O 3.35Å; L552-H580 WeakPolarHBondContact O-CB 3.49Å; L552-H580 PolarHBondContact O-CD2 2.97Å; L552-I582 HydrophobicContact CD1-CD1 4.47Å; L552-L616 HydrophobicContact CD1-CD1 4.43Å; L552-V628 HydrophobicContact CD1-CB 4.45Å; L552-V628 HydrophobicContact CD1-CG1 3.83Å; L552-W654 CarbonylContact C-O 3.6Å; L552-W654 WeakPolarHBondContact CA-O 3.26Å; L552-W654 HydrophobicContact CD2-CB 3.97Å; L552-W654 HydrophobicContact CD2-CD2 4.33Å; L552-W654 HydrophobicContact CD2-CE3 3.92Å; L552-W654 HydrophobicContact CD2-CG 4.42Å; L552-I656 HydrophobicContact CB-CD1 4.08Å; L552-I656 HydrophobicContact CB-CG2 4.41Å; L552-M660 HydrophobicContact CD1-CE 3.81Å
553	A	97.5	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	111.7	-176.7	0	0	0	0	0	111.7	I520 I529 F551 L653 W654 F655 I656	I520-A553 HydrophobicContact CD1-CB 4.47Å; I520-A553 HydrophobicContact CG1-CB 4.24Å; I529-A553 HydrophobicContact CG1-CB 4.3Å; I529-A553 HydrophobicContact CG2-CB 4.29Å; F551-A553 HydrophobicContact CD1-CB 4.13Å; F551-A553 HydrophobicContact CE1-CB 3.88Å; A553-L653 HydrophobicContact CB-CD1 3.59Å; A553-W654 PolarHBondContact N-O 2.9Å; A553-F655 HydrophobicContact CB-CD1 3.78Å; A553-F655 HydrophobicContact CB-CE1 3.98Å; A553-F655 VanDerWaalsContact O-CA 3.24Å; A553-F655 WeakPolarHBondContact O-CA 3.34Å; A553-I656 PolarHBondContact O-N 3.41Å
554	P	97.7	Very high	93.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.8	175.7	-15.5	29.4	0	0	0	112.8	I529 L552 W559 I656 P659	I529-P554 WeakPolarHBondContact CG2-O 3.23Å; L552-P554 WeakPolarHBondContact O-CD 3.25Å; P554-W559 HydrophobicContact CB-CZ2 4.01Å; P554-W559 HydrophobicContact CG-CZ2 3.83Å; P554-W559 PolarHBondContact O-NE1 2.87Å; P554-I656 CarbonylContact C-O 3.51Å; P554-I656 WeakPolarHBondContact CA-O 3.34Å; P554-I656 HydrophobicContact CB-CG1 4.05Å; P554-I656 HydrophobicContact CG-CD1 4.03Å; P554-I656 HydrophobicContact CG-CG1 3.96Å; P554-P659 HydrophobicContact CB-CB 4.35Å; P554-P659 HydrophobicContact CG-CB 3.91Å
555	I	97.5	Very high	93.6	Very high	15 Å²	15	40.8 Å²	40.8	8%	0.077	21%	0.213	C	C	.	.			trans	-73.9	154.1	174	64.1	164.3	0	0	0	112.3	D525 T526 L557 G558 I642 F655 I656 D657	D525-I555 CarbonylContact O-C 3.51Å; D525-I555 WeakPolarHBondContact O-CA 3.29Å; T526-I555 HydrophobicContact CG2-CG2 4.26Å; I555-L557 HydrophobicContact CD1-CB 4.05Å; I555-L557 HydrophobicContact CG1-CB 4.38Å; I555-L557 PolarHBondContact O-N 2.96Å; I555-L557 VanDerWaalsContact O-N 3.11Å; I555-G558 PolarHBondContact O-N 2.71Å; I555-I642 HydrophobicContact CD1-CD1 3.39Å; I555-I642 HydrophobicContact CG1-CD1 3.92Å; I555-I642 HydrophobicContact CG2-CD1 4.46Å; I555-F655 HydrophobicContact CG2-CB 4.39Å; I555-I656 PolarHBondContact N-O 3.02Å; I555-D657 WeakPolarHBondContact CG1-O 3.37Å
556	D	97.2	Very high	93.9	Very high	34 Å²	34	40.5 Å²	40.5	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-54.9	-33.1	-175.6	-70.7	-14.3	0	0	0	113.1	D525 T526 K527 E528 G558 W559	D525-D556 WeakPolarHBondContact CA-OD2 3.43Å; D525-D556 VanDerWaalsContact O-CG 3.31Å; D525-D556 PolarHBondContact O-N 3.08Å; T526-D556 VanDerWaalsContact C-OD1 3.25Å; T526-D556 WeakPolarHBondContact CA-OD1 3.42Å; T526-D556 PolarHBondContact N-OD2 2.98Å; K527-D556 VanDerWaalsContact N-CG 3.33Å; K527-D556 PolarHBondContact N-OD1 3.4Å; K527-D556 PolarHBondContact N-OD2 2.74Å; E528-D556 PolarHBondContact N-OD1 2.99Å; D556-G558 VanDerWaalsContact C-N 3.27Å; D556-G558 PolarHBondContact O-N 2.83Å; D556-W559 PolarHBondContact O-N 2.81Å
557	L	96.3	Very high	94.1	Very high	112 Å²	112	42.9 Å²	42.9	59%	0.586	23%	0.231	S	C	*	.	H	α-helix	trans	-59.8	-38.3	177.8	-177	61	0	0	0	112.2	I555 W559 K560	I555-L557 HydrophobicContact CD1-CB 4.05Å; I555-L557 HydrophobicContact CG1-CB 4.38Å; I555-L557 PolarHBondContact O-N 2.96Å; I555-L557 VanDerWaalsContact O-N 3.11Å; L557-W559 PolarHBondContact O-N 2.85Å; L557-K560 HydrophobicContact CD1-CD 4.05Å; L557-K560 PolarHBondContact O-N 2.85Å
558	G	94.4	Very high	94.5	Very high	6 Å²	6	42.7 Å²	42.7	6%	0.062	23%	0.226	C	C	.	.	H	α-helix	trans	-69.4	-19.6	-179.4	0	0	0	0	0	114.5	I555 D556 R562 D657	I555-G558 PolarHBondContact O-N 2.71Å; D556-G558 VanDerWaalsContact C-N 3.27Å; D556-G558 PolarHBondContact O-N 2.83Å; G558-R562 WeakPolarHBondContact O-CG 3.41Å; G558-D657 WeakPolarHBondContact CA-O 3.47Å; G558-D657 PolarHBondContact N-O 2.86Å
559	W	95.5	Very high	94.7	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.019	24%	0.241	C	C	.	.	H	α-helix	trans	-81.8	-18	179.7	-64	93.2	0	0	0	113.3	E528 I529 K532 P554 D556 L557 T561 R562 E565 N566 L576 P659	E528-W559 HydrophobicContact CB-CB 4.44Å; E528-W559 HydrophobicContact CB-CD2 4.18Å; E528-W559 HydrophobicContact CB-CG 3.85Å; E528-W559 HydrophobicContact CG-CB 4.2Å; E528-W559 HydrophobicContact CG-CG 4.15Å; I529-W559 HydrophobicContact CB-CZ2 4.3Å; I529-W559 HydrophobicContact CD1-CZ2 4.07Å; K532-W559 HydrophobicContact CD-CH2 3.66Å; K532-W559 HydrophobicContact CD-CZ2 4.27Å; K532-W559 HydrophobicContact CD-CZ3 3.92Å; K532-W559 VanDerWaalsContact CE-CZ3 3.44Å; P554-W559 HydrophobicContact CB-CZ2 4.01Å; P554-W559 HydrophobicContact CG-CZ2 3.83Å; P554-W559 PolarHBondContact O-NE1 2.87Å; D556-W559 PolarHBondContact O-N 2.81Å; L557-W559 PolarHBondContact O-N 2.85Å; W559-T561 PolarHBondContact O-N 3.13Å; W559-T561 VanDerWaalsContact O-N 3.12Å; W559-R562 PolarHBondContact O-N 3.21Å; W559-R562 VanDerWaalsContact O-N 3.11Å; W559-E565 HydrophobicContact CZ3-CB 4.17Å; W559-N566 VanDerWaalsContact CE3-OD1 3.3Å; W559-N566 PolarHBondContact O-ND2 3.4Å; W559-L576 HydrophobicContact CH2-CD2 3.75Å; W559-L576 HydrophobicContact CZ3-CD2 4.04Å; W559-P659 HydrophobicContact CD2-CG 3.97Å; W559-P659 HydrophobicContact CE3-CB 4.39Å; W559-P659 HydrophobicContact CE3-CG 3.72Å; W559-P659 HydrophobicContact CH2-CB 3.65Å; W559-P659 HydrophobicContact CH2-CG 3.91Å; W559-P659 HydrophobicContact CZ2-CB 3.93Å; W559-P659 HydrophobicContact CZ2-CG 4.13Å; W559-P659 HydrophobicContact CZ3-CB 3.89Å; W559-P659 HydrophobicContact CZ3-CG 3.69Å
560	K	93.8	Very high	94.8	Very high	153 Å²	153	47.8 Å²	47.8	67%	0.665	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.9	-174.6	-68.9	-170.1	-178	177.4	0	114.5	L557	L557-K560 HydrophobicContact CD1-CD 4.05Å; L557-K560 PolarHBondContact O-N 2.85Å
561	T	88	Confident	94.8	Very high	106 Å²	106	53.2 Å²	53.2	65%	0.65	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	16.2	-177.8	58.7	0	0	0	0	112.7	W559	W559-T561 PolarHBondContact O-N 3.13Å; W559-T561 VanDerWaalsContact O-N 3.12Å
562	R	90.7	Very high	94.7	Very high	41 Å²	41	55.8 Å²	55.8	16%	0.155	30%	0.298	C	S	.	.			trans	-112.8	53.8	-173.4	-64.9	-71.8	-174.1	-86.7	-1.1	111.1	G558 W559 L564 E565 N566 W658 P659	G558-R562 WeakPolarHBondContact O-CG 3.41Å; W559-R562 PolarHBondContact O-N 3.21Å; W559-R562 VanDerWaalsContact O-N 3.11Å; R562-L564 PolarHBondContact O-N 2.93Å; R562-E565 WeakPolarHBondContact CA-OE2 3.28Å; R562-E565 HydrophobicContact CB-CB 4.28Å; R562-E565 WeakPolarHBondContact CB-OE2 3.29Å; R562-E565 WeakPolarHBondContact CD-OE2 2.94Å; R562-E565 PolarHBondContact O-N 3.04Å; R562-N566 VanDerWaalsContact O-CB 3.31Å; R562-N566 WeakPolarHBondContact O-CB 3.44Å; R562-N566 PolarHBondContact O-N 2.96Å; R562-N566 PolarHBondContact O-ND2 3.45Å; R562-W658 VanDerWaalsContact NH2-CG 3.26Å; R562-P659 HydrophobicContact CB-CG 4.32Å; R562-P659 HydrophobicContact CG-CG 3.79Å
563	N	91.6	Very high	94.7	Very high	128 Å²	128	56.3 Å²	56.3	68%	0.684	30%	0.301	S	S	*	.	H	α-helix	trans	-56.1	-37.1	-175.2	-70.9	-16.8	0	0	0	112.9	S567	N563-S567 PolarHBondContact O-N 3.36Å; N563-S567 VanDerWaalsContact O-N 3.12Å; N563-S567 PolarHBondContact O-OG 3.26Å
564	L	91.8	Very high	94.6	Very high	98 Å²	98	59.2 Å²	59.2	51%	0.513	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-51	178.2	178.5	64.6	0	0	0	111.2	R562 N566 S567 Y568	R562-L564 PolarHBondContact O-N 2.93Å; L564-N566 VanDerWaalsContact C-N 3.26Å; L564-N566 PolarHBondContact O-N 2.97Å; L564-S567 PolarHBondContact O-N 3.29Å; L564-S567 VanDerWaalsContact O-N 3.12Å; L564-S567 PolarHBondContact O-OG 2.73Å; L564-Y568 HydrophobicContact CD1-CE1 4.29Å; L564-Y568 HydrophobicContact CG-CE1 3.91Å; L564-Y568 WeakPolarHBondContact O-CD1 3.3Å; L564-Y568 WeakPolarHBondContact O-CE1 3.28Å; L564-Y568 PolarHBondContact O-N 2.9Å
565	E	93.6	Very high	94.5	Very high	11 Å²	11	62.6 Å²	62.6	5%	0.051	33%	0.326	C	S	.	.	H	α-helix	trans	-69	-27.1	179.5	-60.7	78.6	-179.1	0	0	112.1	K532 W559 R562 S567 Y568 L576	K532-E565 PolarHBondContact NZ-O 2.84Å; W559-E565 HydrophobicContact CZ3-CB 4.17Å; R562-E565 WeakPolarHBondContact CA-OE2 3.28Å; R562-E565 HydrophobicContact CB-CB 4.28Å; R562-E565 WeakPolarHBondContact CB-OE2 3.29Å; R562-E565 WeakPolarHBondContact CD-OE2 2.94Å; R562-E565 PolarHBondContact O-N 3.04Å; E565-S567 VanDerWaalsContact C-N 3.34Å; E565-Y568 HydrophobicContact CB-CD2 4.3Å; E565-Y568 HydrophobicContact CB-CE2 4.09Å; E565-Y568 HydrophobicContact CG-CE2 3.91Å; E565-Y568 WeakPolarHBondContact O-CB 3.19Å; E565-L576 HydrophobicContact CB-CD2 4.42Å
566	N	94.3	Very high	94.5	Very high	59 Å²	59	62 Å²	62	32%	0.316	32%	0.324	S	S	.	.	H	α-helix	trans	-69.5	-31.5	171.9	-72.7	-25.8	0	0	0	112.2	W559 R562 L564 Y568	W559-N566 VanDerWaalsContact CE3-OD1 3.3Å; W559-N566 PolarHBondContact O-ND2 3.4Å; R562-N566 VanDerWaalsContact O-CB 3.31Å; R562-N566 WeakPolarHBondContact O-CB 3.44Å; R562-N566 PolarHBondContact O-N 2.96Å; R562-N566 PolarHBondContact O-ND2 3.45Å; L564-N566 VanDerWaalsContact C-N 3.26Å; L564-N566 PolarHBondContact O-N 2.97Å; N566-Y568 VanDerWaalsContact C-N 3.32Å
567	S	94.4	Very high	94.5	Very high	87 Å²	87	60.5 Å²	60.5	61%	0.608	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.4	178.4	71.2	0	0	0	0	114.3	N563 L564 E565 S569	N563-S567 PolarHBondContact O-N 3.36Å; N563-S567 VanDerWaalsContact O-N 3.12Å; N563-S567 PolarHBondContact O-OG 3.26Å; L564-S567 PolarHBondContact O-N 3.29Å; L564-S567 VanDerWaalsContact O-N 3.12Å; L564-S567 PolarHBondContact O-OG 2.73Å; E565-S567 VanDerWaalsContact C-N 3.34Å; S567-S569 PolarHBondContact O-N 3.29Å
568	Y	95.3	Very high	94.5	Very high	24 Å²	24	56.6 Å²	56.6	9%	0.094	29%	0.294	C	S	.	.			trans	-56.3	133.9	177.3	-79.5	-0.5	0	0	0	112.6	L564 E565 N566 Q572 N573 L576 C667	L564-Y568 HydrophobicContact CD1-CE1 4.29Å; L564-Y568 HydrophobicContact CG-CE1 3.91Å; L564-Y568 WeakPolarHBondContact O-CD1 3.3Å; L564-Y568 WeakPolarHBondContact O-CE1 3.28Å; L564-Y568 PolarHBondContact O-N 2.9Å; E565-Y568 HydrophobicContact CB-CD2 4.3Å; E565-Y568 HydrophobicContact CB-CE2 4.09Å; E565-Y568 HydrophobicContact CG-CE2 3.91Å; E565-Y568 WeakPolarHBondContact O-CB 3.19Å; N566-Y568 VanDerWaalsContact C-N 3.32Å; Y568-Q572 HydrophobicContact CD1-CB 4.12Å; Y568-Q572 HydrophobicContact CD2-CB 3.98Å; Y568-Q572 HydrophobicContact CG-CB 3.65Å; Y568-N573 WeakPolarHBondContact CB-OD1 3.18Å; Y568-N573 PolarHBondContact O-ND2 3.14Å; Y568-L576 HydrophobicContact CD2-CB 4.37Å; Y568-L576 HydrophobicContact CD2-CD2 4.13Å; Y568-L576 HydrophobicContact CE2-CB 4.4Å; Y568-L576 HydrophobicContact CE2-CD2 4.25Å; Y568-C667 HydrophobicContact CE2-CB 4.18Å
569	S	95.8	Very high	94.7	Very high	57 Å²	57	56.3 Å²	56.3	40%	0.399	29%	0.291	S	S	.	.			trans	-62.4	170	167.7	65.7	0	0	0	0	111.8	S567 E571 Q572 N573	S567-S569 PolarHBondContact O-N 3.29Å; S569-E571 VanDerWaalsContact C-N 3.26Å; S569-E571 PolarHBondContact O-N 3.41Å; S569-Q572 PolarHBondContact O-N 3.26Å; S569-Q572 VanDerWaalsContact OG-CG 3.28Å; S569-Q572 WeakPolarHBondContact OG-CG 3.46Å; S569-Q572 PolarHBondContact OG-N 3.24Å; S569-Q572 PolarHBondContact OG-OE1 2.59Å; S569-N573 WeakPolarHBondContact O-CB 3.33Å; S569-N573 PolarHBondContact O-N 3.4Å; S569-N573 PolarHBondContact O-ND2 3.24Å; S569-N573 VanDerWaalsContact O-ND2 3.12Å
570	V	96.1	Very high	94.7	Very high	67 Å²	67	56.1 Å²	56.1	41%	0.406	29%	0.29	S	S	.	.	H	α-helix	trans	-56.9	-40.9	177.2	178.8	0	0	0	0	111.5	T536 N573 R574	T536-V570 HydrophobicContact CG2-CG1 4.05Å; T536-V570 WeakPolarHBondContact CG2-O 3.38Å; V570-N573 PolarHBondContact O-N 2.97Å; V570-R574 PolarHBondContact O-N 2.84Å
571	E	94.6	Very high	94.9	Very high	114 Å²	114	48.8 Å²	48.8	53%	0.533	26%	0.259	S	S	.	.	H	α-helix	trans	-65.1	-44.1	177.8	-65.5	-54	122.9	0	0	112.4	S569 R574 K575	S569-E571 VanDerWaalsContact C-N 3.26Å; S569-E571 PolarHBondContact O-N 3.41Å; E571-R574 WeakPolarHBondContact O-CB 3.34Å; E571-R574 PolarHBondContact O-N 2.86Å; E571-R574 IonicContact OE1-CZ 2.75Å; E571-R574 IonicContact OE1-NH1 2.76Å; E571-R574 PolarHBondContact OE1-NH1 2.99Å; E571-R574 IonicContact OE1-NH2 2.69Å; E571-R574 IonicContact OE2-NH1 3.64Å; E571-R574 PolarHBondContact OE2-NH1 2.56Å; E571-K575 PolarHBondContact O-N 2.83Å; E571-K575 VanDerWaalsContact O-N 3.14Å
572	Q	95.5	Very high	95.3	Very high	55 Å²	55	43.8 Å²	43.8	26%	0.257	23%	0.228	S	C	.	.	H	α-helix	trans	-65.7	-41.6	177.6	-65.8	177.7	-71.4	0	0	111.5	Y568 S569 R574 K575 L576 C667	Y568-Q572 HydrophobicContact CD1-CB 4.12Å; Y568-Q572 HydrophobicContact CD2-CB 3.98Å; Y568-Q572 HydrophobicContact CG-CB 3.65Å; S569-Q572 PolarHBondContact O-N 3.26Å; S569-Q572 VanDerWaalsContact OG-CG 3.28Å; S569-Q572 WeakPolarHBondContact OG-CG 3.46Å; S569-Q572 PolarHBondContact OG-N 3.24Å; S569-Q572 PolarHBondContact OG-OE1 2.59Å; Q572-R574 VanDerWaalsContact C-N 3.31Å; Q572-R574 PolarHBondContact O-N 2.89Å; Q572-K575 PolarHBondContact O-N 3.22Å; Q572-L576 PolarHBondContact O-N 2.93Å; Q572-C667 WeakPolarHBondContact CG-O 3.46Å; Q572-C667 WeakPolarHBondContact CG-OXT 3.36Å; Q572-C667 PolarHBondContact NE2-O 3.27Å
573	N	96.3	Very high	95.4	Very high	11 Å²	11	42.9 Å²	42.9	6%	0.059	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-39.6	173.8	-76.3	-46.9	0	0	0	111.2	K532 T536 Y568 S569 V570 K575 L576 L577	K532-N573 WeakPolarHBondContact CD-OD1 3.31Å; K532-N573 PolarHBondContact NZ-OD1 2.04Å; T536-N573 HydrophobicContact CG2-CB 3.7Å; Y568-N573 WeakPolarHBondContact CB-OD1 3.18Å; Y568-N573 PolarHBondContact O-ND2 3.14Å; S569-N573 WeakPolarHBondContact O-CB 3.33Å; S569-N573 PolarHBondContact O-N 3.4Å; S569-N573 PolarHBondContact O-ND2 3.24Å; S569-N573 VanDerWaalsContact O-ND2 3.12Å; V570-N573 PolarHBondContact O-N 2.97Å; N573-K575 VanDerWaalsContact C-N 3.34Å; N573-K575 PolarHBondContact O-N 3.27Å; N573-L576 WeakPolarHBondContact O-CB 3.5Å; N573-L576 PolarHBondContact O-N 3.45Å; N573-L577 VanDerWaalsContact O-CG 3.26Å; N573-L577 WeakPolarHBondContact O-CG 3.21Å; N573-L577 PolarHBondContact O-N 3.22Å
574	R	96.5	Very high	95.3	Very high	61 Å²	61	40.6 Å²	40.6	23%	0.23	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-45.4	176	-170.5	177.4	-60.3	107.6	2.4	111.3	T536 F538 V570 E571 Q572 L576 L577 Q578	T536-R574 HydrophobicContact CG2-CB 4.24Å; T536-R574 PolarHBondContact O-NE 3.05Å; T536-R574 PolarHBondContact O-NH2 3.09Å; F538-R574 HydrophobicContact CD2-CG 4.3Å; F538-R574 HydrophobicContact CE2-CG 4.44Å; V570-R574 PolarHBondContact O-N 2.84Å; E571-R574 WeakPolarHBondContact O-CB 3.34Å; E571-R574 PolarHBondContact O-N 2.86Å; E571-R574 IonicContact OE1-CZ 2.75Å; E571-R574 IonicContact OE1-NH1 2.76Å; E571-R574 PolarHBondContact OE1-NH1 2.99Å; E571-R574 IonicContact OE1-NH2 2.69Å; E571-R574 IonicContact OE2-NH1 3.64Å; E571-R574 PolarHBondContact OE2-NH1 2.56Å; Q572-R574 VanDerWaalsContact C-N 3.31Å; Q572-R574 PolarHBondContact O-N 2.89Å; R574-L576 PolarHBondContact O-N 2.9Å; R574-L577 PolarHBondContact O-N 2.74Å; R574-Q578 VanDerWaalsContact O-CG 3.29Å; R574-Q578 WeakPolarHBondContact O-CG 3.32Å; R574-Q578 PolarHBondContact O-N 3.18Å
575	K	96.4	Very high	95	Very high	71 Å²	71	36 Å²	36	31%	0.309	19%	0.189	S	C	.	.	H	α-helix	trans	-63.6	-39.1	175.5	-65.6	178.6	-173.5	170.5	0	112.6	E571 Q572 N573 L577 Q578 L579 L606 L666 C667	E571-K575 PolarHBondContact O-N 2.83Å; E571-K575 VanDerWaalsContact O-N 3.14Å; Q572-K575 PolarHBondContact O-N 3.22Å; N573-K575 VanDerWaalsContact C-N 3.34Å; N573-K575 PolarHBondContact O-N 3.27Å; K575-L577 VanDerWaalsContact C-N 3.33Å; K575-L577 PolarHBondContact O-N 3.1Å; K575-Q578 WeakPolarHBondContact O-CB 3.18Å; K575-Q578 PolarHBondContact O-N 2.89Å; K575-L579 PolarHBondContact O-N 2.92Å; K575-L606 HydrophobicContact CB-CD1 3.8Å; K575-L606 HydrophobicContact CG-CD1 4.13Å; K575-L666 WeakPolarHBondContact CD-O 3.1Å; K575-L666 WeakPolarHBondContact CE-O 3.38Å; K575-L666 PolarHBondContact NZ-O 2.94Å; K575-C667 PolarHBondContact NZ-OXT 3.26Å
576	L	96.2	Very high	94.7	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-44.5	173.9	-177.8	65.5	0	0	0	111.2	W559 E565 Y568 Q572 N573 R574 Q578 L579 H580 M660	W559-L576 HydrophobicContact CH2-CD2 3.75Å; W559-L576 HydrophobicContact CZ3-CD2 4.04Å; E565-L576 HydrophobicContact CB-CD2 4.42Å; Y568-L576 HydrophobicContact CD2-CB 4.37Å; Y568-L576 HydrophobicContact CD2-CD2 4.13Å; Y568-L576 HydrophobicContact CE2-CB 4.4Å; Y568-L576 HydrophobicContact CE2-CD2 4.25Å; Q572-L576 PolarHBondContact O-N 2.93Å; N573-L576 WeakPolarHBondContact O-CB 3.5Å; N573-L576 PolarHBondContact O-N 3.45Å; R574-L576 PolarHBondContact O-N 2.9Å; L576-Q578 VanDerWaalsContact C-N 3.34Å; L576-Q578 PolarHBondContact O-N 3Å; L576-L579 WeakPolarHBondContact O-CB 3.03Å; L576-L579 PolarHBondContact O-N 3.33Å; L576-H580 PolarHBondContact O-N 2.63Å; L576-H580 VanDerWaalsContact O-N 3.17Å; L576-H580 PolarHBondContact O-ND1 3.27Å; L576-M660 WeakPolarHBondContact CD1-O 3.3Å
577	L	97.4	Very high	94.4	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-65.4	-36.8	176.3	-63.5	173	0	0	0	112.1	I529 T536 F538 F551 N573 R574 K575 L579 H580 T581	I529-L577 HydrophobicContact CD1-CD2 3.41Å; I529-L577 VanDerWaalsContact CD1-CD2 3.41Å; T536-L577 HydrophobicContact CG2-CD1 4.17Å; T536-L577 WeakPolarHBondContact OG1-CD1 3.44Å; F538-L577 HydrophobicContact CB-CD1 3.81Å; F538-L577 HydrophobicContact CD1-CB 4.06Å; F538-L577 HydrophobicContact CD1-CD1 4.26Å; F538-L577 HydrophobicContact CD2-CB 3.71Å; F538-L577 HydrophobicContact CD2-CD1 3.81Å; F538-L577 HydrophobicContact CD2-CG 4.43Å; F538-L577 HydrophobicContact CE1-CB 3.87Å; F538-L577 HydrophobicContact CE2-CB 3.52Å; F538-L577 HydrophobicContact CE2-CD1 4.49Å; F538-L577 HydrophobicContact CG-CB 3.99Å; F538-L577 HydrophobicContact CG-CD1 3.69Å; F538-L577 HydrophobicContact CG-CG 4.46Å; F538-L577 HydrophobicContact CZ-CB 3.61Å; F551-L577 HydrophobicContact CE2-CB 4.48Å; F551-L577 HydrophobicContact CE2-CD2 4.16Å; F551-L577 HydrophobicContact CZ-CD2 3.78Å; N573-L577 VanDerWaalsContact O-CG 3.26Å; N573-L577 WeakPolarHBondContact O-CG 3.21Å; N573-L577 PolarHBondContact O-N 3.22Å; R574-L577 PolarHBondContact O-N 2.74Å; K575-L577 VanDerWaalsContact C-N 3.33Å; K575-L577 PolarHBondContact O-N 3.1Å; L577-L579 VanDerWaalsContact C-N 3.33Å; L577-L579 PolarHBondContact O-N 2.67Å; L577-H580 CarbonylContact O-C 3.58Å; L577-H580 WeakPolarHBondContact O-CA 3.06Å; L577-H580 PolarHBondContact O-N 3.24Å; L577-H580 VanDerWaalsContact O-N 3.1Å; L577-T581 PolarHBondContact O-N 3.01Å; L577-T581 PolarHBondContact O-OG1 2.96Å
578	Q	97.2	Very high	94	Very high	29 Å²	29	29.4 Å²	29.4	14%	0.136	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-39.6	173	-69.4	170	-4.1	0	0	112.3	F538 Q541 R574 K575 L576 H580 T581 L605 L606	F538-Q578 HydrophobicContact CE2-CG 3.92Å; F538-Q578 HydrophobicContact CZ-CG 4.28Å; Q541-Q578 VanDerWaalsContact CD-NE2 3.32Å; Q541-Q578 VanDerWaalsContact NE2-CG 3.34Å; R574-Q578 VanDerWaalsContact O-CG 3.29Å; R574-Q578 WeakPolarHBondContact O-CG 3.32Å; R574-Q578 PolarHBondContact O-N 3.18Å; K575-Q578 WeakPolarHBondContact O-CB 3.18Å; K575-Q578 PolarHBondContact O-N 2.89Å; L576-Q578 VanDerWaalsContact C-N 3.34Å; L576-Q578 PolarHBondContact O-N 3Å; Q578-H580 PolarHBondContact O-N 2.93Å; Q578-T581 PolarHBondContact O-N 2.8Å; Q578-L605 HydrophobicContact CB-CB 3.99Å; Q578-L605 HydrophobicContact CG-CB 4.32Å; Q578-L605 WeakPolarHBondContact O-CB 3.34Å; Q578-L605 PolarHBondContact O-N 3.27Å; Q578-L605 VanDerWaalsContact O-N 3.1Å; Q578-L606 HydrophobicContact CB-CB 3.98Å; Q578-L606 HydrophobicContact CB-CD1 4.41Å; Q578-L606 PolarHBondContact O-N 3.05Å
579	L	97.1	Very high	93.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-33.6	173.8	-178.4	65	0	0	0	111.5	K575 L576 L577 T581 L606 V614 L616 M660	K575-L579 PolarHBondContact O-N 2.92Å; L576-L579 WeakPolarHBondContact O-CB 3.03Å; L576-L579 PolarHBondContact O-N 3.33Å; L577-L579 VanDerWaalsContact C-N 3.33Å; L577-L579 PolarHBondContact O-N 2.67Å; L579-T581 PolarHBondContact O-N 3.16Å; L579-L606 HydrophobicContact CB-CB 4.26Å; L579-L606 HydrophobicContact CB-CD2 3.98Å; L579-L606 HydrophobicContact CD1-CD2 4.18Å; L579-V614 HydrophobicContact CD1-CB 4.31Å; L579-V614 HydrophobicContact CD1-CG1 3.75Å; L579-L616 HydrophobicContact CD1-CD2 3.77Å; L579-L616 HydrophobicContact CG-CD2 4.47Å; L579-L616 WeakPolarHBondContact O-CD1 3.45Å; L579-M660 HydrophobicContact CD2-CB 4.17Å; L579-M660 HydrophobicContact CG-CE 4.29Å
580	H	97.3	Very high	92.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	10.6	178.4	-72	72.5	0	0	0	113.7	F551 L552 L576 L577 Q578 M660	F551-H580 HydrophobicContact CE2-CB 4.3Å; L552-H580 HydrophobicContact CB-CB 4.22Å; L552-H580 PolarHBondContact N-O 3.35Å; L552-H580 WeakPolarHBondContact O-CB 3.49Å; L552-H580 PolarHBondContact O-CD2 2.97Å; L576-H580 PolarHBondContact O-N 2.63Å; L576-H580 VanDerWaalsContact O-N 3.17Å; L576-H580 PolarHBondContact O-ND1 3.27Å; L577-H580 CarbonylContact O-C 3.58Å; L577-H580 WeakPolarHBondContact O-CA 3.06Å; L577-H580 PolarHBondContact O-N 3.24Å; L577-H580 VanDerWaalsContact O-N 3.1Å; Q578-H580 PolarHBondContact O-N 2.93Å; H580-M660 PolarHBondContact CE1-N 3.23Å; H580-M660 VanDerWaalsContact CE1-N 3.32Å; H580-M660 PolarHBondContact NE2-N 2.8Å
581	T	97.6	Very high	91	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.3	-178.9	-51.3	0	0	0	0	110.2	F538 L542 V549 L550 F551 L577 Q578 L579 S604 L605	F538-T581 WeakPolarHBondContact CE1-OG1 3.38Å; F538-T581 WeakPolarHBondContact CZ-OG1 3.5Å; L542-T581 HydrophobicContact CD2-CG2 3.6Å; V549-T581 HydrophobicContact CG2-CG2 3.28Å; L550-T581 WeakPolarHBondContact O-CA 3.26Å; F551-T581 VanDerWaalsContact CD2-OG1 3.32Å; F551-T581 WeakPolarHBondContact CD2-OG1 3.16Å; L577-T581 PolarHBondContact O-N 3.01Å; L577-T581 PolarHBondContact O-OG1 2.96Å; Q578-T581 PolarHBondContact O-N 2.8Å; L579-T581 PolarHBondContact O-N 3.16Å; T581-S604 CarbonylContact O-C 3.59Å; T581-S604 WeakPolarHBondContact O-CA 3.33Å; T581-L605 HydrophobicContact CG2-CD1 3.38Å; T581-L605 HydrophobicContact CG2-CG 3.81Å; T581-L605 PolarHBondContact O-N 2.75Å
582	I	95.9	Very high	90.1	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.5	174.8	-62.6	155.9	0	0	0	107.7	V549 L550 L552 H584 F586 V602 L616 I618	V549-I582 WeakPolarHBondContact CA-O 3.01Å; V549-I582 VanDerWaalsContact CG2-O 3.3Å; V549-I582 WeakPolarHBondContact CG2-O 3.22Å; L550-I582 HydrophobicContact CB-CB 4.27Å; L550-I582 HydrophobicContact CD2-CD1 3.89Å; L550-I582 HydrophobicContact CG-CD1 4.36Å; L550-I582 PolarHBondContact N-O 3.25Å; L550-I582 PolarHBondContact O-N 3.1Å; L552-I582 HydrophobicContact CD1-CD1 4.47Å; I582-H584 HydrophobicContact CG2-CB 4.43Å; I582-H584 PolarHBondContact O-N 3.06Å; I582-F586 HydrophobicContact CD1-CE1 4.41Å; I582-F586 HydrophobicContact CD1-CZ 4.11Å; I582-F586 HydrophobicContact CG2-CE1 3.97Å; I582-V602 HydrophobicContact CD1-CG2 3.76Å; I582-V602 HydrophobicContact CG1-CG2 3.94Å; I582-V602 HydrophobicContact CG2-CB 4.21Å; I582-V602 HydrophobicContact CG2-CG2 4.2Å; I582-L616 HydrophobicContact CD1-CD1 4.1Å; I582-L616 HydrophobicContact CG1-CD1 3.83Å; I582-I618 HydrophobicContact CD1-CD1 4.2Å
583	P	93.2	Very high	89.2	Confident	21 Å²	21	23.6 Å²	23.6	14%	0.136	12%	0.118	C	C	.	.	S	Bend	trans	-74.7	28.4	-177.9	32.1	-33.5	0	0	0	114	N548 E603 L605	N548-P583 CarbonylContact O-C 3.55Å; N548-P583 VanDerWaalsContact O-C 3.22Å; P583-E603 WeakPolarHBondContact CD-O 3.42Å; P583-L605 HydrophobicContact CB-CD2 3.69Å; P583-L605 HydrophobicContact CG-CD2 3.97Å
584	H	88.1	Confident	88.7	Confident	80 Å²	80	23.3 Å²	23.3	37%	0.37	12%	0.116	S	C	.	.	S	Bend	trans	-144.4	115.8	172.6	-59.3	-79.6	0	0	0	108	E452 N548 I582 F586	E452-H584 IonicContact OE1-CG 3.02Å; E452-H584 IonicContact OE1-ND1 2.87Å; E452-H584 PolarHBondContact OE1-ND1 2.85Å; E452-H584 IonicContact OE2-CE1 2.71Å; E452-H584 IonicContact OE2-ND1 2.8Å; E452-H584 PolarHBondContact OE2-ND1 2.87Å; N548-H584 VanDerWaalsContact O-CA 3.29Å; N548-H584 WeakPolarHBondContact O-CA 3.19Å; N548-H584 PolarHBondContact O-N 2.96Å; I582-H584 HydrophobicContact CG2-CB 4.43Å; I582-H584 PolarHBondContact O-N 3.06Å; H584-F586 VanDerWaalsContact O-CD1 3.26Å; H584-F586 WeakPolarHBondContact O-CD1 3.36Å
585	G	86.9	Confident	88.1	Confident	3 Å²	3	24.5 Å²	24.5	3%	0.031	12%	0.124	C	C	.	.			trans	-79.6	119.3	178.7	0	0	0	0	0	111.3	R472 N548	R472-G585 PolarHBondContact NH1-O 3.08Å; R472-G585 PolarHBondContact NH2-O 2.77Å; R472-G585 VanDerWaalsContact NH2-O 3.11Å; N548-G585 VanDerWaalsContact C-N 3.33Å; N548-G585 PolarHBondContact O-N 2.87Å; N548-G585 PolarHBondContact OD1-N 2.85Å
586	F	87.4	Confident	87.8	Confident	16 Å²	16	27.2 Å²	27.2	7%	0.07	13%	0.132	C	C	.	.			trans	-137.5	164.3	172.2	56.1	-94.3	0	0	0	112.2	L550 I582 H584 F593 I594 L600 V602 I618 W654	L550-F586 HydrophobicContact CD2-CD1 4.45Å; L550-F586 HydrophobicContact CD2-CD2 4.19Å; L550-F586 HydrophobicContact CD2-CE1 3.97Å; L550-F586 HydrophobicContact CD2-CE2 3.66Å; L550-F586 HydrophobicContact CD2-CZ 3.54Å; I582-F586 HydrophobicContact CD1-CE1 4.41Å; I582-F586 HydrophobicContact CD1-CZ 4.11Å; I582-F586 HydrophobicContact CG2-CE1 3.97Å; H584-F586 VanDerWaalsContact O-CD1 3.26Å; H584-F586 WeakPolarHBondContact O-CD1 3.36Å; F586-F593 HydrophobicContact CB-CD2 4.14Å; F586-I594 HydrophobicContact CD2-CD1 4.48Å; F586-I594 HydrophobicContact CE2-CD1 3.98Å; F586-L600 HydrophobicContact CE2-CD2 4.26Å; F586-L600 HydrophobicContact CZ-CD2 4.22Å; F586-V602 HydrophobicContact CE1-CG1 4.11Å; F586-V602 HydrophobicContact CZ-CG1 4.23Å; F586-I618 HydrophobicContact CE2-CD1 3.85Å; F586-I618 HydrophobicContact CZ-CD1 3.5Å; F586-W654 HydrophobicContact CD2-CH2 4.09Å; F586-W654 HydrophobicContact CD2-CZ2 4.02Å; F586-W654 AromaticContact CE2-CH2 3.59Å; F586-W654 HydrophobicContact CE2-CH2 3.59Å; F586-W654 AromaticContact CE2-CZ2 3.92Å; F586-W654 HydrophobicContact CE2-CZ2 3.92Å; F586-W654 HydrophobicContact CE2-CZ3 4.46Å
587	F	87.9	Confident	87.5	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.009	16%	0.158	C	C	.	.			trans	-101.2	136	-178.1	-70.5	-103	0	0	0	110.7	N485 H486 G592 F593 N645 V647 I652	N485-F587 HydrophobicContact CB-CD2 4.48Å; N485-F587 HydrophobicContact CB-CE2 3.62Å; N485-F587 HydrophobicContact CB-CZ 4.19Å; H486-F587 HydrophobicContact CB-CD1 3.6Å; H486-F587 HydrophobicContact CB-CD2 4.04Å; H486-F587 HydrophobicContact CB-CE1 3.63Å; H486-F587 HydrophobicContact CB-CE2 4.06Å; H486-F587 HydrophobicContact CB-CG 3.84Å; H486-F587 HydrophobicContact CB-CZ 3.86Å; H486-F587 AromaticContact CD2-CD1 3.52Å; H486-F587 AromaticContact CD2-CG 3.76Å; H486-F587 AromaticContact CG-CD1 3.72Å; F587-G592 WeakPolarHBondContact O-CA 3.29Å; F587-F593 HydrophobicContact CB-CD2 4.41Å; F587-F593 HydrophobicContact CB-CE2 3.76Å; F587-F593 HydrophobicContact CB-CZ 4.19Å; F587-F593 HydrophobicContact CD2-CE2 4.16Å; F587-F593 HydrophobicContact CG-CE2 4.43Å; F587-F593 PolarHBondContact O-N 3.24Å; F587-N645 WeakPolarHBondContact CA-OD1 3.44Å; F587-N645 HydrophobicContact CD1-CB 3.73Å; F587-N645 HydrophobicContact CE1-CB 4.16Å; F587-V647 HydrophobicContact CE1-CG2 3.69Å; F587-V647 HydrophobicContact CZ-CG2 3.77Å; F587-I652 HydrophobicContact CD2-CD1 3.74Å; F587-I652 HydrophobicContact CE2-CD1 3.36Å; F587-I652 HydrophobicContact CE2-CG1 4.23Å; F587-I652 HydrophobicContact CG-CD1 4.49Å; F587-I652 HydrophobicContact CZ-CD1 3.84Å; F587-I652 HydrophobicContact CZ-CG1 4.24Å
588	G	85.2	Confident	87.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.			trans	-94.3	-167.8	173.2	0	0	0	0	0	110.8	G592 N645	G588-G592 WeakPolarHBondContact O-CA 3.48Å; G588-G592 PolarHBondContact O-N 3.36Å; G588-G592 VanDerWaalsContact O-N 3.15Å; G588-N645 PolarHBondContact N-OD1 3.43Å; G588-N645 PolarHBondContact O-ND2 3.33Å
589	S	80.8	Confident	87	Confident	9 Å²	9	34 Å²	34	6%	0.063	19%	0.189	C	C	.	.	S	Bend	trans	78.6	174.1	-179.9	93.5	0	0	0	0	116.1	D591 G592 R620 W644	S589-D591 PolarHBondContact O-N 2.7Å; S589-D591 PolarHBondContact OG-N 2.86Å; S589-G592 PolarHBondContact O-N 3.15Å; S589-R620 VanDerWaalsContact C-CZ 3.44Å; S589-R620 VanDerWaalsContact C-NH2 3.27Å; S589-R620 PolarHBondContact O-NH1 3.09Å; S589-W644 VanDerWaalsContact N-CH2 3.3Å
590	D	76.3	Confident	86.7	Confident	93 Å²	93	37.1 Å²	37.1	50%	0.497	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23	173.9	-67.4	-28.4	0	0	0	111.5	R596 R620	D590-R596 IonicContact OD1-CZ 3.74Å; D590-R596 IonicContact OD1-NE 3.33Å; D590-R596 PolarHBondContact OD1-NE 3.2Å; D590-R596 IonicContact OD1-NH2 2.59Å; D590-R596 PolarHBondContact OD1-NH2 3.43Å; D590-R596 IonicContact OD2-CZ 3.03Å; D590-R596 IonicContact OD2-NE 2.79Å; D590-R596 IonicContact OD2-NH2 2.76Å; D590-R596 PolarHBondContact OD2-NH2 2.92Å; D590-R620 IonicContact OD1-CZ 2.77Å; D590-R620 IonicContact OD1-NH1 2.74Å; D590-R620 IonicContact OD1-NH2 3.2Å; D590-R620 PolarHBondContact OD1-NH2 3.24Å
591	D	67	Low	86.6	Confident	43 Å²	43	41.1 Å²	41.1	23%	0.23	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.1	174.3	-61.7	-38.4	0	0	0	112.8	F413 H486 Q507 S589	F413-D591 WeakPolarHBondContact CB-OD2 3.33Å; H486-D591 PolarHBondContact CD2-O 2.75Å; H486-D591 VanDerWaalsContact NE2-CB 3.25Å; H486-D591 WeakPolarHBondContact NE2-CB 3.43Å; H486-D591 PolarHBondContact NE2-O 2.99Å; Q507-D591 HydrophobicContact CG-CB 4.37Å; S589-D591 PolarHBondContact O-N 2.7Å; S589-D591 PolarHBondContact OG-N 2.86Å
592	G	76.1	Confident	86.4	Confident	13 Å²	13	42.1 Å²	42.1	13%	0.134	23%	0.229	C	C	.	.	S	Bend	trans	-104	-157.8	177.6	0	0	0	0	0	114	F587 G588 S589	F587-G592 WeakPolarHBondContact O-CA 3.29Å; G588-G592 WeakPolarHBondContact O-CA 3.48Å; G588-G592 PolarHBondContact O-N 3.36Å; G588-G592 VanDerWaalsContact O-N 3.15Å; S589-G592 PolarHBondContact O-N 3.15Å
593	F	77.4	Confident	86.4	Confident	36 Å²	36	46.4 Å²	46.4	16%	0.158	25%	0.249	C	C	.	.	S	Bend	trans	-104.9	-6.1	-166	-43.6	-55.5	0	0	0	115.2	I474 T483 N485 F586 F587 E595	I474-F593 HydrophobicContact CD1-CB 3.55Å; I474-F593 HydrophobicContact CD1-CD1 3.35Å; I474-F593 HydrophobicContact CD1-CD2 4Å; I474-F593 HydrophobicContact CD1-CE1 4.18Å; I474-F593 HydrophobicContact CD1-CG 3.29Å; T483-F593 HydrophobicContact CG2-CD1 3.74Å; T483-F593 HydrophobicContact CG2-CE1 3.31Å; T483-F593 HydrophobicContact CG2-CZ 4.1Å; N485-F593 WeakPolarHBondContact O-CZ 3.4Å; F586-F593 HydrophobicContact CB-CD2 4.14Å; F587-F593 HydrophobicContact CB-CD2 4.41Å; F587-F593 HydrophobicContact CB-CE2 3.76Å; F587-F593 HydrophobicContact CB-CZ 4.19Å; F587-F593 HydrophobicContact CD2-CE2 4.16Å; F587-F593 HydrophobicContact CG-CE2 4.43Å; F587-F593 PolarHBondContact O-N 3.24Å; F593-E595 PolarHBondContact O-N 3.16Å
594	I	84.7	Confident	86.5	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.026	24%	0.243	C	C	.	.			trans	-89.7	104.1	179.6	-52.1	-174.4	0	0	0	107.9	F586 L600 I618 R620 W654	F586-I594 HydrophobicContact CD2-CD1 4.48Å; F586-I594 HydrophobicContact CE2-CD1 3.98Å; I594-L600 HydrophobicContact CD1-CD2 4.24Å; I594-L600 HydrophobicContact CG1-CD2 4.28Å; I594-I618 HydrophobicContact CD1-CB 4.34Å; I594-I618 HydrophobicContact CD1-CD1 4.41Å; I594-I618 HydrophobicContact CD1-CG2 3.58Å; I594-R620 HydrophobicContact CG2-CB 3.66Å; I594-R620 HydrophobicContact CG2-CG 4.48Å; I594-R620 WeakPolarHBondContact O-CD 3.48Å; I594-R620 PolarHBondContact O-NH1 3.41Å; I594-W654 HydrophobicContact CD1-CH2 3.82Å; I594-W654 HydrophobicContact CD1-CZ3 4.49Å
595	E	84.1	Confident	86.9	Confident	86 Å²	86	41.8 Å²	41.8	40%	0.402	23%	0.226	S	C	.	.			trans	-64.4	151.2	179.6	-66.5	-172.5	174.3	0	0	111.6	F593 S598	F593-E595 PolarHBondContact O-N 3.16Å; E595-S598 PolarHBondContact N-OG 3.44Å; E595-S598 VanDerWaalsContact O-CB 3.3Å; E595-S598 WeakPolarHBondContact O-CB 3.3Å; E595-S598 PolarHBondContact O-N 3.12Å; E595-S598 PolarHBondContact O-OG 3.44Å
596	R	89.9	Confident	87.3	Confident	128 Å²	128	41.8 Å²	41.8	48%	0.483	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	138.8	173.3	-64.2	-175.7	-178.7	-158.2	1.9	110.1	D590 P622	D590-R596 IonicContact OD1-CZ 3.74Å; D590-R596 IonicContact OD1-NE 3.33Å; D590-R596 PolarHBondContact OD1-NE 3.2Å; D590-R596 IonicContact OD1-NH2 2.59Å; D590-R596 PolarHBondContact OD1-NH2 3.43Å; D590-R596 IonicContact OD2-CZ 3.03Å; D590-R596 IonicContact OD2-NE 2.79Å; D590-R596 IonicContact OD2-NH2 2.76Å; D590-R596 PolarHBondContact OD2-NH2 2.92Å; R596-P622 WeakPolarHBondContact CD-O 3.33Å
597	G	90.8	Very high	87.6	Confident	54 Å²	54	44 Å²	44	56%	0.557	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	27.1	-175.2	0	0	0	0	0	113.6	R620	G597-R620 CarbonylContact C-O 3.53Å; G597-R620 WeakPolarHBondContact CA-O 3.37Å; G597-R620 PolarHBondContact N-O 3.18Å
598	S	90.6	Very high	87.8	Confident	34 Å²	34	46.1 Å²	46.1	24%	0.238	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	159.3	-180	75.1	0	0	0	0	112.4	E595 R620	E595-S598 PolarHBondContact N-OG 3.44Å; E595-S598 VanDerWaalsContact O-CB 3.3Å; E595-S598 WeakPolarHBondContact O-CB 3.3Å; E595-S598 PolarHBondContact O-N 3.12Å; E595-S598 PolarHBondContact O-OG 3.44Å; S598-R620 PolarHBondContact N-O 3.04Å; S598-R620 VanDerWaalsContact N-O 3.13Å; S598-R620 PolarHBondContact O-N 3.43Å
599	V	92.4	Very high	88	Confident	90 Å²	90	52.7 Å²	52.7	55%	0.545	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.8	170.3	-178.9	0	0	0	0	107.7	L617 I618 K619	V599-L617 HydrophobicContact CG1-CB 4.47Å; V599-L617 HydrophobicContact CG1-CD2 4.27Å; V599-I618 WeakPolarHBondContact CA-O 3.32Å; V599-K619 HydrophobicContact CG2-CB 4.18Å; V599-K619 HydrophobicContact CG2-CG 4.05Å
600	L	91.7	Very high	88.4	Confident	65 Å²	65	59.2 Å²	59.2	34%	0.34	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.9	175.6	179.1	66.9	0	0	0	109.2	F586 I594 V602 L617 I618	F586-L600 HydrophobicContact CE2-CD2 4.26Å; F586-L600 HydrophobicContact CZ-CD2 4.22Å; I594-L600 HydrophobicContact CD1-CD2 4.24Å; I594-L600 HydrophobicContact CG1-CD2 4.28Å; L600-V602 HydrophobicContact CD2-CG1 3.84Å; L600-V602 HydrophobicContact CG-CG1 3.83Å; L600-L617 CarbonylContact O-C 3.41Å; L600-L617 WeakPolarHBondContact O-CA 3.23Å; L600-I618 HydrophobicContact CB-CB 4.36Å; L600-I618 HydrophobicContact CD2-CD1 4.49Å; L600-I618 PolarHBondContact N-O 3.08Å; L600-I618 PolarHBondContact O-N 2.73Å
601	E	94.4	Very high	89.2	Confident	84 Å²	84	57.3 Å²	57.3	39%	0.393	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.6	171.9	-171.3	173.5	111.4	0	0	108.9	K615 L616 L617 K631	E601-K615 HydrophobicContact CG-CB 4.42Å; E601-K615 HydrophobicContact CG-CD 4.34Å; E601-K615 VanDerWaalsContact OE1-CD 3.28Å; E601-K615 WeakPolarHBondContact OE1-CD 3.43Å; E601-K615 WeakPolarHBondContact OE1-CE 3.44Å; E601-K615 IonicContact OE1-NZ 3.88Å; E601-K615 PolarHBondContact OE1-NZ 3.02Å; E601-L616 WeakPolarHBondContact CA-O 3.27Å; E601-L617 HydrophobicContact CB-CD2 3.93Å; E601-L617 HydrophobicContact CG-CD2 3.89Å; E601-K631 WeakPolarHBondContact OE2-CE 3.22Å; E601-K631 IonicContact OE2-NZ 3.64Å; E601-K631 PolarHBondContact OE2-NZ 3.19Å
602	V	94.3	Very high	90.4	Very high	21 Å²	21	61.2 Å²	61.2	13%	0.127	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	163.8	177.8	-60.3	0	0	0	0	110.4	I582 F586 L600 K615 L616 I618	I582-V602 HydrophobicContact CD1-CG2 3.76Å; I582-V602 HydrophobicContact CG1-CG2 3.94Å; I582-V602 HydrophobicContact CG2-CB 4.21Å; I582-V602 HydrophobicContact CG2-CG2 4.2Å; F586-V602 HydrophobicContact CE1-CG1 4.11Å; F586-V602 HydrophobicContact CZ-CG1 4.23Å; L600-V602 HydrophobicContact CD2-CG1 3.84Å; L600-V602 HydrophobicContact CG-CG1 3.83Å; V602-K615 CarbonylContact O-C 3.49Å; V602-K615 WeakPolarHBondContact O-CA 3.45Å; V602-L616 HydrophobicContact CG2-CB 3.86Å; V602-L616 PolarHBondContact N-O 3.42Å; V602-L616 PolarHBondContact O-N 3.46Å; V602-I618 HydrophobicContact CG2-CD1 4.11Å; V602-I618 HydrophobicContact CG2-CG1 4.49Å
603	E	95.4	Very high	91.3	Very high	92 Å²	92	64 Å²	64	43%	0.43	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	140.5	174.9	-69.2	-174.6	164	0	0	110.4	P583 K613 K615	P583-E603 WeakPolarHBondContact CD-O 3.42Å; E603-K613 HydrophobicContact CB-CB 3.72Å; E603-K613 HydrophobicContact CB-CG 4.3Å; E603-K613 HydrophobicContact CG-CB 4Å; E603-K615 HydrophobicContact CG-CG 4.43Å
604	S	96.2	Very high	92.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	175.6	170	67.8	0	0	0	0	111.5	T581 L606 K613 V614	T581-S604 CarbonylContact O-C 3.59Å; T581-S604 WeakPolarHBondContact O-CA 3.33Å; S604-L606 VanDerWaalsContact C-N 3.29Å; S604-L606 PolarHBondContact OG-N 3.4Å; S604-K613 VanDerWaalsContact O-CD 3.29Å; S604-K613 WeakPolarHBondContact O-CD 3.48Å; S604-V614 PolarHBondContact N-O 3.48Å; S604-V614 PolarHBondContact OG-O 3.18Å
605	L	95.5	Very high	92.7	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.016	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-19.9	171.1	-74.1	-173.2	0	0	0	113.1	H545 Q578 T581 P583 T607 K613	H545-L605 WeakPolarHBondContact NE2-CD2 3.25Å; Q578-L605 HydrophobicContact CB-CB 3.99Å; Q578-L605 HydrophobicContact CG-CB 4.32Å; Q578-L605 WeakPolarHBondContact O-CB 3.34Å; Q578-L605 PolarHBondContact O-N 3.27Å; Q578-L605 VanDerWaalsContact O-N 3.1Å; T581-L605 HydrophobicContact CG2-CD1 3.38Å; T581-L605 HydrophobicContact CG2-CG 3.81Å; T581-L605 PolarHBondContact O-N 2.75Å; P583-L605 HydrophobicContact CB-CD2 3.69Å; P583-L605 HydrophobicContact CG-CD2 3.97Å; L605-T607 PolarHBondContact O-N 3.17Å; L605-K613 PolarHBondContact O-NZ 3.2Å
606	L	96.1	Very high	93.3	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.016	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131	-178.9	-178.1	62.7	0	0	0	110.1	K575 Q578 L579 S604 K613 V614 L666	K575-L606 HydrophobicContact CB-CD1 3.8Å; K575-L606 HydrophobicContact CG-CD1 4.13Å; Q578-L606 HydrophobicContact CB-CB 3.98Å; Q578-L606 HydrophobicContact CB-CD1 4.41Å; Q578-L606 PolarHBondContact O-N 3.05Å; L579-L606 HydrophobicContact CB-CB 4.26Å; L579-L606 HydrophobicContact CB-CD2 3.98Å; L579-L606 HydrophobicContact CD1-CD2 4.18Å; S604-L606 VanDerWaalsContact C-N 3.29Å; S604-L606 PolarHBondContact OG-N 3.4Å; L606-K613 CarbonylContact O-C 3.51Å; L606-K613 WeakPolarHBondContact O-CA 3.48Å; L606-V614 HydrophobicContact CB-CB 4.42Å; L606-V614 HydrophobicContact CB-CG2 4.22Å; L606-V614 HydrophobicContact CD2-CG2 4.01Å; L606-V614 HydrophobicContact CG-CG2 3.95Å; L606-V614 PolarHBondContact O-N 3.47Å; L606-L666 HydrophobicContact CD2-CB 4.31Å; L606-L666 HydrophobicContact CD2-CD1 3.97Å; L606-L666 HydrophobicContact CG-CD1 4.36Å
607	T	94.1	Very high	93.6	Very high	63 Å²	63	57.9 Å²	57.9	39%	0.387	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.8	173.1	48.3	0	0	0	0	110.7	L605 K612 K613	L605-T607 PolarHBondContact O-N 3.17Å; T607-K612 CarbonylContact C-O 3.09Å; T607-K612 VanDerWaalsContact CA-O 3.28Å; T607-K612 WeakPolarHBondContact CA-O 3.17Å; T607-K613 HydrophobicContact CG2-CD 3.75Å
608	D	91.5	Very high	93.8	Very high	47 Å²	47	55.3 Å²	55.3	25%	0.251	29%	0.292	S	S	.	.			trans	-74.3	180	169.6	72.7	11.1	0	0	0	112.2	Q610 G611 K612 L666	D608-Q610 PolarHBondContact O-N 3.38Å; D608-Q610 VanDerWaalsContact OD1-CA 3.29Å; D608-Q610 WeakPolarHBondContact OD1-CA 3.2Å; D608-Q610 WeakPolarHBondContact OD1-CB 3.43Å; D608-Q610 PolarHBondContact OD1-N 2.96Å; D608-G611 PolarHBondContact O-N 3.2Å; D608-G611 PolarHBondContact OD1-N 3.35Å; D608-K612 PolarHBondContact N-O 2.98Å; D608-K612 PolarHBondContact OD1-N 3.16Å; D608-L666 HydrophobicContact CB-CD1 4.17Å; D608-L666 HydrophobicContact CB-CD2 4.12Å
609	L	88.7	Confident	94	Very high	138 Å²	138	56.4 Å²	56.4	72%	0.723	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.1	178.4	-61.4	175.4	0	0	0	113.7	Q665 L666	L609-Q665 HydrophobicContact CD1-CB 4.44Å; L609-L666 HydrophobicContact CD2-CD2 4.41Å; L609-L666 HydrophobicContact CG-CD2 4Å
610	Q	90.1	Very high	94.1	Very high	145 Å²	145	52.4 Å²	52.4	68%	0.678	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	0.9	175.7	-58.9	175	26.4	0	0	112	D608 K612	D608-Q610 PolarHBondContact O-N 3.38Å; D608-Q610 VanDerWaalsContact OD1-CA 3.29Å; D608-Q610 WeakPolarHBondContact OD1-CA 3.2Å; D608-Q610 WeakPolarHBondContact OD1-CB 3.43Å; D608-Q610 PolarHBondContact OD1-N 2.96Å; Q610-K612 VanDerWaalsContact C-N 3.29Å; Q610-K612 PolarHBondContact O-N 3.26Å
611	G	91.8	Very high	94.2	Very high	53 Å²	53	50.5 Å²	50.5	55%	0.546	26%	0.259	S	S	.	.	S	Bend	trans	78.3	7.1	-176.1	0	0	0	0	0	114.4	D608	D608-G611 PolarHBondContact O-N 3.2Å; D608-G611 PolarHBondContact OD1-N 3.35Å
612	K	93.3	Very high	94.2	Very high	126 Å²	126	51.4 Å²	51.4	55%	0.548	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-83.6	146.3	176.4	-65.8	173.4	-178.1	154.8	0	110	T607 D608 Q610	T607-K612 CarbonylContact C-O 3.09Å; T607-K612 VanDerWaalsContact CA-O 3.28Å; T607-K612 WeakPolarHBondContact CA-O 3.17Å; D608-K612 PolarHBondContact N-O 2.98Å; D608-K612 PolarHBondContact OD1-N 3.16Å; Q610-K612 VanDerWaalsContact C-N 3.29Å; Q610-K612 PolarHBondContact O-N 3.26Å
613	K	94	Very high	94	Very high	71 Å²	71	55.4 Å²	55.4	31%	0.309	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.4	175.2	-64.9	-52.4	-161.8	-178.9	0	110.8	E603 S604 L605 L606 T607 K615	E603-K613 HydrophobicContact CB-CB 3.72Å; E603-K613 HydrophobicContact CB-CG 4.3Å; E603-K613 HydrophobicContact CG-CB 4Å; S604-K613 VanDerWaalsContact O-CD 3.29Å; S604-K613 WeakPolarHBondContact O-CD 3.48Å; L605-K613 PolarHBondContact O-NZ 3.2Å; L606-K613 CarbonylContact O-C 3.51Å; L606-K613 WeakPolarHBondContact O-CA 3.48Å; T607-K613 HydrophobicContact CG2-CD 3.75Å; K613-K615 PolarHBondContact O-N 3.09Å
614	V	95.2	Very high	93.8	Very high	13 Å²	13	51.6 Å²	51.6	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	124.8	173.6	175.9	0	0	0	0	108.4	L579 S604 L606 H630 L666	L579-V614 HydrophobicContact CD1-CB 4.31Å; L579-V614 HydrophobicContact CD1-CG1 3.75Å; S604-V614 PolarHBondContact N-O 3.48Å; S604-V614 PolarHBondContact OG-O 3.18Å; L606-V614 HydrophobicContact CB-CB 4.42Å; L606-V614 HydrophobicContact CB-CG2 4.22Å; L606-V614 HydrophobicContact CD2-CG2 4.01Å; L606-V614 HydrophobicContact CG-CG2 3.95Å; L606-V614 PolarHBondContact O-N 3.47Å; V614-H630 HydrophobicContact CG1-CB 4.46Å; V614-L666 HydrophobicContact CG2-CD1 3.5Å
615	K	95.9	Very high	93.7	Very high	89 Å²	89	55 Å²	55	39%	0.387	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.5	-179.5	-69	178.3	165.2	-157.1	0	111	E601 V602 E603 K613 H630	E601-K615 HydrophobicContact CG-CB 4.42Å; E601-K615 HydrophobicContact CG-CD 4.34Å; E601-K615 VanDerWaalsContact OE1-CD 3.28Å; E601-K615 WeakPolarHBondContact OE1-CD 3.43Å; E601-K615 WeakPolarHBondContact OE1-CE 3.44Å; E601-K615 IonicContact OE1-NZ 3.88Å; E601-K615 PolarHBondContact OE1-NZ 3.02Å; V602-K615 CarbonylContact O-C 3.49Å; V602-K615 WeakPolarHBondContact O-CA 3.45Å; E603-K615 HydrophobicContact CG-CG 4.43Å; K613-K615 PolarHBondContact O-N 3.09Å; K615-H630 VanDerWaalsContact O-CB 3.3Å; K615-H630 WeakPolarHBondContact O-CB 3.46Å
616	L	96.7	Very high	93.7	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.9	168.5	-56.5	178.5	0	0	0	110.2	L552 L579 I582 E601 V602 V628 G629 H630 M660	L552-L616 HydrophobicContact CD1-CD1 4.43Å; L579-L616 HydrophobicContact CD1-CD2 3.77Å; L579-L616 HydrophobicContact CG-CD2 4.47Å; L579-L616 WeakPolarHBondContact O-CD1 3.45Å; I582-L616 HydrophobicContact CD1-CD1 4.1Å; I582-L616 HydrophobicContact CG1-CD1 3.83Å; E601-L616 WeakPolarHBondContact CA-O 3.27Å; V602-L616 HydrophobicContact CG2-CB 3.86Å; V602-L616 PolarHBondContact N-O 3.42Å; V602-L616 PolarHBondContact O-N 3.46Å; L616-V628 HydrophobicContact CB-CG1 4.44Å; L616-V628 HydrophobicContact CD1-CG1 4.38Å; L616-G629 CarbonylContact C-O 3.32Å; L616-G629 VanDerWaalsContact CA-O 3.25Å; L616-G629 WeakPolarHBondContact CA-O 3.3Å; L616-H630 HydrophobicContact CD2-CB 4.32Å; L616-M660 HydrophobicContact CD1-CE 4.3Å; L616-M660 HydrophobicContact CD2-CE 4.17Å; L616-M660 HydrophobicContact CD2-SD 4.06Å
617	L	96.4	Very high	93.7	Very high	24 Å²	24	57.3 Å²	57.3	13%	0.126	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125	172.1	-63.6	175	0	0	0	107.9	V599 L600 E601 V628 G629 K631 W638	V599-L617 HydrophobicContact CG1-CB 4.47Å; V599-L617 HydrophobicContact CG1-CD2 4.27Å; L600-L617 CarbonylContact O-C 3.41Å; L600-L617 WeakPolarHBondContact O-CA 3.23Å; E601-L617 HydrophobicContact CB-CD2 3.93Å; E601-L617 HydrophobicContact CG-CD2 3.89Å; L617-V628 WeakPolarHBondContact O-CA 3.48Å; L617-G629 PolarHBondContact N-O 3.34Å; L617-G629 PolarHBondContact O-N 3.49Å; L617-K631 HydrophobicContact CD1-CG 3.87Å; L617-W638 HydrophobicContact CB-CH2 3.36Å; L617-W638 HydrophobicContact CB-CZ2 4.02Å; L617-W638 HydrophobicContact CB-CZ3 3.86Å; L617-W638 HydrophobicContact CD1-CH2 3.7Å; L617-W638 HydrophobicContact CD1-CZ2 3.86Å; L617-W638 HydrophobicContact CG-CH2 4.17Å
618	I	95.2	Very high	93.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	104.5	174.2	-54.2	173.9	0	0	0	107.2	I582 F586 I594 V599 L600 V602 T626 F627 V628	I582-I618 HydrophobicContact CD1-CD1 4.2Å; F586-I618 HydrophobicContact CE2-CD1 3.85Å; F586-I618 HydrophobicContact CZ-CD1 3.5Å; I594-I618 HydrophobicContact CD1-CB 4.34Å; I594-I618 HydrophobicContact CD1-CD1 4.41Å; I594-I618 HydrophobicContact CD1-CG2 3.58Å; V599-I618 WeakPolarHBondContact CA-O 3.32Å; L600-I618 HydrophobicContact CB-CB 4.36Å; L600-I618 HydrophobicContact CD2-CD1 4.49Å; L600-I618 PolarHBondContact N-O 3.08Å; L600-I618 PolarHBondContact O-N 2.73Å; V602-I618 HydrophobicContact CG2-CD1 4.11Å; V602-I618 HydrophobicContact CG2-CG1 4.49Å; I618-T626 HydrophobicContact CG2-CG2 3.58Å; I618-F627 CarbonylContact C-O 3.35Å; I618-F627 WeakPolarHBondContact CA-O 3.36Å; I618-V628 HydrophobicContact CG1-CG1 4.08Å; I618-V628 HydrophobicContact CG1-CG2 4.12Å; I618-V628 HydrophobicContact CG2-CG2 4.25Å
619	K	95.2	Very high	94.1	Very high	57 Å²	57	52.1 Å²	52.1	25%	0.248	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.9	179.2	176.9	178	-172	-178.7	0	109.3	V599 T626 F627 E635 W638	V599-K619 HydrophobicContact CG2-CB 4.18Å; V599-K619 HydrophobicContact CG2-CG 4.05Å; K619-T626 CarbonylContact O-C 3.56Å; K619-T626 WeakPolarHBondContact O-CA 3.37Å; K619-F627 PolarHBondContact N-O 3.43Å; K619-F627 PolarHBondContact O-N 3.41Å; K619-E635 IonicContact NZ-OE1 2.73Å; K619-E635 PolarHBondContact NZ-OE1 2.74Å; K619-E635 IonicContact NZ-OE2 2.66Å; K619-E635 PolarHBondContact NZ-OE2 3.04Å; K619-W638 HydrophobicContact CB-CE3 4.34Å; K619-W638 HydrophobicContact CB-CZ3 3.68Å
620	R	94.2	Very high	94.4	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.2	171.4	-169	169	-167.5	-154.7	-3.9	110.1	S589 D590 I594 G597 S598 G624 N625 T626	S589-R620 VanDerWaalsContact C-CZ 3.44Å; S589-R620 VanDerWaalsContact C-NH2 3.27Å; S589-R620 PolarHBondContact O-NH1 3.09Å; D590-R620 IonicContact OD1-CZ 2.77Å; D590-R620 IonicContact OD1-NH1 2.74Å; D590-R620 IonicContact OD1-NH2 3.2Å; D590-R620 PolarHBondContact OD1-NH2 3.24Å; I594-R620 HydrophobicContact CG2-CB 3.66Å; I594-R620 HydrophobicContact CG2-CG 4.48Å; I594-R620 WeakPolarHBondContact O-CD 3.48Å; I594-R620 PolarHBondContact O-NH1 3.41Å; G597-R620 CarbonylContact C-O 3.53Å; G597-R620 WeakPolarHBondContact CA-O 3.37Å; G597-R620 PolarHBondContact N-O 3.18Å; S598-R620 PolarHBondContact N-O 3.04Å; S598-R620 VanDerWaalsContact N-O 3.13Å; S598-R620 PolarHBondContact O-N 3.43Å; R620-G624 PolarHBondContact NE-O 3.48Å; R620-N625 CarbonylContact C-O 3.38Å; R620-N625 WeakPolarHBondContact CA-O 3.36Å; R620-T626 WeakPolarHBondContact CG-OG1 3.06Å
621	T	94.7	Very high	94.4	Very high	25 Å²	25	45 Å²	45	15%	0.153	24%	0.238	C	C	.	.			trans	-72.9	160.6	-178	48.6	0	0	0	0	111.4	D623 G624 N625 F627	T621-D623 WeakPolarHBondContact CB-OD1 3.45Å; T621-D623 PolarHBondContact O-N 3.36Å; T621-D623 PolarHBondContact OG1-OD1 3.08Å; T621-G624 PolarHBondContact O-N 3.28Å; T621-N625 PolarHBondContact N-O 3.18Å; T621-N625 WeakPolarHBondContact OG1-CA 3.34Å; T621-N625 WeakPolarHBondContact OG1-CB 3.31Å; T621-N625 PolarHBondContact OG1-N 3.3Å; T621-N625 PolarHBondContact OG1-O 2.98Å; T621-F627 HydrophobicContact CG2-CD2 4.29Å; T621-F627 HydrophobicContact CG2-CE2 4Å
622	P	93	Very high	94.3	Very high	102 Å²	102	48.4 Å²	48.4	66%	0.662	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-29	179.5	-27.5	36.6	0	0	0	114.8	R596 G624	R596-P622 WeakPolarHBondContact CD-O 3.33Å; P622-G624 VanDerWaalsContact C-N 3.26Å; P622-G624 PolarHBondContact O-N 3.36Å
623	D	91.8	Very high	94.2	Very high	105 Å²	105	43 Å²	43	56%	0.561	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.4	174.8	63.7	-7.4	0	0	0	113.2	T621 N625	T621-D623 WeakPolarHBondContact CB-OD1 3.45Å; T621-D623 PolarHBondContact O-N 3.36Å; T621-D623 PolarHBondContact OG1-OD1 3.08Å; D623-N625 PolarHBondContact OD1-N 3.2Å; D623-N625 PolarHBondContact OD1-ND2 3.41Å; D623-N625 PolarHBondContact OD2-ND2 2.92Å
624	G	90.2	Very high	94.1	Very high	13 Å²	13	46.4 Å²	46.4	13%	0.134	24%	0.235	C	C	.	.	S	Bend	trans	104.7	-7.6	173.6	0	0	0	0	0	115.2	R620 T621 P622 T626	R620-G624 PolarHBondContact NE-O 3.48Å; T621-G624 PolarHBondContact O-N 3.28Å; P622-G624 VanDerWaalsContact C-N 3.26Å; P622-G624 PolarHBondContact O-N 3.36Å; G624-T626 PolarHBondContact O-OG1 3.24Å
625	N	93.7	Very high	94	Very high	72 Å²	72	50.6 Å²	50.6	39%	0.385	25%	0.254	S	S	.	.			trans	-61.9	145	173.4	-63.7	-46.1	0	0	0	110.2	R620 T621 D623 F627	R620-N625 CarbonylContact C-O 3.38Å; R620-N625 WeakPolarHBondContact CA-O 3.36Å; T621-N625 PolarHBondContact N-O 3.18Å; T621-N625 WeakPolarHBondContact OG1-CA 3.34Å; T621-N625 WeakPolarHBondContact OG1-CB 3.31Å; T621-N625 PolarHBondContact OG1-N 3.3Å; T621-N625 PolarHBondContact OG1-O 2.98Å; D623-N625 PolarHBondContact OD1-N 3.2Å; D623-N625 PolarHBondContact OD1-ND2 3.41Å; D623-N625 PolarHBondContact OD2-ND2 2.92Å; N625-F627 HydrophobicContact CB-CE2 3.74Å; N625-F627 HydrophobicContact CB-CZ 4.13Å
626	T	95.5	Very high	93.7	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.8	-175.7	-54.7	0	0	0	0	109.4	I618 K619 R620 G624 M640 V641 W644	I618-T626 HydrophobicContact CG2-CG2 3.58Å; K619-T626 CarbonylContact O-C 3.56Å; K619-T626 WeakPolarHBondContact O-CA 3.37Å; R620-T626 WeakPolarHBondContact CG-OG1 3.06Å; G624-T626 PolarHBondContact O-OG1 3.24Å; T626-M640 WeakPolarHBondContact O-CA 3.4Å; T626-V641 HydrophobicContact CG2-CG2 3.93Å; T626-V641 PolarHBondContact O-N 3.39Å; T626-W644 HydrophobicContact CG2-CZ3 4.46Å; T626-W644 WeakPolarHBondContact OG1-CZ3 3.35Å
627	F	96.4	Very high	93.5	Very high	52 Å²	52	56.7 Å²	56.7	23%	0.228	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.7	-177.9	-59.4	-89.9	0	0	0	109.6	I618 K619 T621 N625 W638 S639 M640	I618-F627 CarbonylContact C-O 3.35Å; I618-F627 WeakPolarHBondContact CA-O 3.36Å; K619-F627 PolarHBondContact N-O 3.43Å; K619-F627 PolarHBondContact O-N 3.41Å; T621-F627 HydrophobicContact CG2-CD2 4.29Å; T621-F627 HydrophobicContact CG2-CE2 4Å; N625-F627 HydrophobicContact CB-CE2 3.74Å; N625-F627 HydrophobicContact CB-CZ 4.13Å; F627-W638 HydrophobicContact CB-CB 4.13Å; F627-W638 HydrophobicContact CB-CE3 3.99Å; F627-S639 CarbonylContact C-O 3.51Å; F627-S639 VanDerWaalsContact CA-O 3.32Å; F627-S639 WeakPolarHBondContact CA-O 3.44Å; F627-M640 HydrophobicContact CD1-CB 3.95Å; F627-M640 HydrophobicContact CD1-CG 4.23Å; F627-M640 HydrophobicContact CE1-CB 3.83Å; F627-M640 HydrophobicContact CE1-CG 3.86Å; F627-M640 HydrophobicContact CE1-SD 4.16Å; F627-M640 HydrophobicContact CZ-CG 4.28Å; F627-M640 HydrophobicContact CZ-SD 4.26Å
628	V	97	Very high	93.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.2	177.3	-169	0	0	0	0	109.2	L552 L616 L617 I618 W638 S639 V641 M660	L552-V628 HydrophobicContact CD1-CB 4.45Å; L552-V628 HydrophobicContact CD1-CG1 3.83Å; L616-V628 HydrophobicContact CB-CG1 4.44Å; L616-V628 HydrophobicContact CD1-CG1 4.38Å; L617-V628 WeakPolarHBondContact O-CA 3.48Å; I618-V628 HydrophobicContact CG1-CG1 4.08Å; I618-V628 HydrophobicContact CG1-CG2 4.12Å; I618-V628 HydrophobicContact CG2-CG2 4.25Å; V628-W638 WeakPolarHBondContact O-CB 3.44Å; V628-S639 PolarHBondContact N-O 3.08Å; V628-S639 PolarHBondContact O-N 3.48Å; V628-V641 HydrophobicContact CG2-CG2 3.93Å; V628-M660 HydrophobicContact CB-SD 4.38Å; V628-M660 HydrophobicContact CG1-CE 4.43Å; V628-M660 HydrophobicContact CG1-SD 3.9Å
629	G	96.6	Very high	93.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	-167.5	175.3	0	0	0	0	0	112	L616 L617	L616-G629 CarbonylContact C-O 3.32Å; L616-G629 VanDerWaalsContact CA-O 3.25Å; L616-G629 WeakPolarHBondContact CA-O 3.3Å; L617-G629 PolarHBondContact N-O 3.34Å; L617-G629 PolarHBondContact O-N 3.49Å
630	H	94.9	Very high	93.6	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.019	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	169.3	174.4	61.4	95	0	0	0	110.1	V614 K615 L616 D632 L633 K661	V614-H630 HydrophobicContact CG1-CB 4.46Å; K615-H630 VanDerWaalsContact O-CB 3.3Å; K615-H630 WeakPolarHBondContact O-CB 3.46Å; L616-H630 HydrophobicContact CD2-CB 4.32Å; H630-D632 VanDerWaalsContact C-N 3.27Å; H630-D632 IonicContact CE1-OD2 3.85Å; H630-D632 PolarHBondContact ND1-N 2.98Å; H630-D632 IonicContact ND1-OD2 3.53Å; H630-D632 PolarHBondContact ND1-OD2 3.21Å; H630-D632 PolarHBondContact O-N 3.49Å; H630-L633 PolarHBondContact O-N 3.09Å; H630-K661 PolarHBondContact NE2-O 3.29Å
631	K	90.8	Very high	93.7	Very high	130 Å²	130	57.1 Å²	57.1	57%	0.565	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.7	-170.2	-68	-179.9	-177.8	172.7	0	114.2	E601 L617 L633	E601-K631 WeakPolarHBondContact OE2-CE 3.22Å; E601-K631 IonicContact OE2-NZ 3.64Å; E601-K631 PolarHBondContact OE2-NZ 3.19Å; L617-K631 HydrophobicContact CD1-CG 3.87Å; K631-L633 PolarHBondContact O-N 3.45Å
632	D	89.4	Confident	93.6	Very high	124 Å²	124	59.8 Å²	59.8	66%	0.663	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.1	178.5	-37.7	-58	0	0	0	112.7	H630	H630-D632 VanDerWaalsContact C-N 3.27Å; H630-D632 IonicContact CE1-OD2 3.85Å; H630-D632 PolarHBondContact ND1-N 2.98Å; H630-D632 IonicContact ND1-OD2 3.53Å; H630-D632 PolarHBondContact ND1-OD2 3.21Å; H630-D632 PolarHBondContact O-N 3.49Å
633	L	91.3	Very high	93.5	Very high	14 Å²	14	57.2 Å²	57.2	7%	0.073	28%	0.283	C	S	.	.	S	Bend	trans	-108.4	126.1	178.9	-168.2	64.2	0	0	0	109.8	H630 K631 L637 W638 K661	H630-L633 PolarHBondContact O-N 3.09Å; K631-L633 PolarHBondContact O-N 3.45Å; L633-L637 HydrophobicContact CD1-CB 3.65Å; L633-L637 HydrophobicContact CD1-CD1 3.72Å; L633-L637 HydrophobicContact CD1-CG 4.35Å; L633-L637 HydrophobicContact CD2-CB 4.15Å; L633-L637 HydrophobicContact CG-CB 3.77Å; L633-W638 PolarHBondContact O-NE1 3.17Å; L633-K661 HydrophobicContact CD1-CB 4.07Å
634	K	92.4	Very high	93.2	Very high	142 Å²	142	55.3 Å²	55.3	62%	0.617	27%	0.267	S	S	*	.			trans	-56.5	141	172.3	-67	-174.8	178.9	-178.7	0	110	E636 L637 W638	K634-E636 HydrophobicContact CB-CG 3.96Å; K634-E636 WeakPolarHBondContact CD-OE1 3.37Å; K634-E636 IonicContact NZ-OE1 3.67Å; K634-E636 PolarHBondContact O-N 3.13Å; K634-E636 VanDerWaalsContact O-N 3.14Å; K634-L637 WeakPolarHBondContact O-CB 3.36Å; K634-L637 PolarHBondContact O-N 3.47Å; K634-W638 VanDerWaalsContact O-CD1 3.29Å
635	E	91.8	Very high	93.1	Very high	100 Å²	100	54.8 Å²	54.8	47%	0.467	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-56.6	-34.4	-175.3	-161.3	-173.2	129.5	0	0	112.8	K619 L637 W638	K619-E635 IonicContact NZ-OE1 2.73Å; K619-E635 PolarHBondContact NZ-OE1 2.74Å; K619-E635 IonicContact NZ-OE2 2.66Å; K619-E635 PolarHBondContact NZ-OE2 3.04Å; E635-L637 PolarHBondContact O-N 3.49Å; E635-W638 HydrophobicContact CG-CD2 4.07Å; E635-W638 HydrophobicContact CG-CE3 4.27Å; E635-W638 HydrophobicContact CG-CG 4.43Å; E635-W638 WeakPolarHBondContact O-CB 3.46Å; E635-W638 PolarHBondContact O-N 3.12Å
636	E	90.7	Very high	92.9	Very high	142 Å²	142	53.3 Å²	53.3	66%	0.664	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-61	-14.5	175.6	68.9	-160.2	-176.2	0	0	114.6	K634	K634-E636 HydrophobicContact CB-CG 3.96Å; K634-E636 WeakPolarHBondContact CD-OE1 3.37Å; K634-E636 IonicContact NZ-OE1 3.67Å; K634-E636 PolarHBondContact O-N 3.13Å; K634-E636 VanDerWaalsContact O-N 3.14Å
637	L	92	Very high	92.5	Very high	76 Å²	76	54.1 Å²	54.1	40%	0.398	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-106.6	0.4	178.2	-58.6	176.4	0	0	0	112.7	L633 K634 E635 W658	L633-L637 HydrophobicContact CD1-CB 3.65Å; L633-L637 HydrophobicContact CD1-CD1 3.72Å; L633-L637 HydrophobicContact CD1-CG 4.35Å; L633-L637 HydrophobicContact CD2-CB 4.15Å; L633-L637 HydrophobicContact CG-CB 3.77Å; K634-L637 WeakPolarHBondContact O-CB 3.36Å; K634-L637 PolarHBondContact O-N 3.47Å; E635-L637 PolarHBondContact O-N 3.49Å; L637-W658 PolarHBondContact O-NE1 3Å
638	W	96.1	Very high	92.2	Very high	19 Å²	19	52 Å²	52	7%	0.072	25%	0.249	C	C	.	.	S	Bend	trans	-66.5	145.5	176.9	-71.9	17.7	0	0	0	110.7	L617 K619 F627 V628 L633 K634 E635 W658	L617-W638 HydrophobicContact CB-CH2 3.36Å; L617-W638 HydrophobicContact CB-CZ2 4.02Å; L617-W638 HydrophobicContact CB-CZ3 3.86Å; L617-W638 HydrophobicContact CD1-CH2 3.7Å; L617-W638 HydrophobicContact CD1-CZ2 3.86Å; L617-W638 HydrophobicContact CG-CH2 4.17Å; K619-W638 HydrophobicContact CB-CE3 4.34Å; K619-W638 HydrophobicContact CB-CZ3 3.68Å; F627-W638 HydrophobicContact CB-CB 4.13Å; F627-W638 HydrophobicContact CB-CE3 3.99Å; V628-W638 WeakPolarHBondContact O-CB 3.44Å; L633-W638 PolarHBondContact O-NE1 3.17Å; K634-W638 VanDerWaalsContact O-CD1 3.29Å; E635-W638 HydrophobicContact CG-CD2 4.07Å; E635-W638 HydrophobicContact CG-CE3 4.27Å; E635-W638 HydrophobicContact CG-CG 4.43Å; E635-W638 WeakPolarHBondContact O-CB 3.46Å; E635-W638 PolarHBondContact O-N 3.12Å; W638-W658 WeakPolarHBondContact O-CZ2 3.37Å
639	S	96.5	Very high	91.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.5	-178.5	-53.5	0	0	0	0	110.5	F627 V628 D657 W658 M660	F627-S639 CarbonylContact C-O 3.51Å; F627-S639 VanDerWaalsContact CA-O 3.32Å; F627-S639 WeakPolarHBondContact CA-O 3.44Å; V628-S639 PolarHBondContact N-O 3.08Å; V628-S639 PolarHBondContact O-N 3.48Å; S639-D657 WeakPolarHBondContact CA-OD1 3.19Å; S639-D657 WeakPolarHBondContact CB-OD1 3.25Å; S639-W658 WeakPolarHBondContact CB-O 3.27Å; S639-W658 VanDerWaalsContact OG-CD1 3.23Å; S639-W658 PolarHBondContact OG-O 2.93Å; S639-M660 WeakPolarHBondContact OG-CG 3.01Å
640	M	96.4	Very high	91.3	Very high	61 Å²	61	53.5 Å²	53.5	30%	0.3	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.7	173.2	-168.7	176.4	61.8	0	0	110.7	T626 F627 I642 I656 D657	T626-M640 WeakPolarHBondContact O-CA 3.4Å; F627-M640 HydrophobicContact CD1-CB 3.95Å; F627-M640 HydrophobicContact CD1-CG 4.23Å; F627-M640 HydrophobicContact CE1-CB 3.83Å; F627-M640 HydrophobicContact CE1-CG 3.86Å; F627-M640 HydrophobicContact CE1-SD 4.16Å; F627-M640 HydrophobicContact CZ-CG 4.28Å; F627-M640 HydrophobicContact CZ-SD 4.26Å; M640-I642 PolarHBondContact O-N 2.91Å; M640-I656 CarbonylContact O-C 3.56Å; M640-I656 VanDerWaalsContact O-CA 3.24Å; M640-I656 WeakPolarHBondContact O-CA 3.38Å; M640-D657 HydrophobicContact CB-CB 4.49Å; M640-D657 VanDerWaalsContact CB-OD2 3.24Å; M640-D657 WeakPolarHBondContact CB-OD2 3.36Å; M640-D657 PolarHBondContact N-OD1 3.39Å; M640-D657 PolarHBondContact N-OD2 2.81Å; M640-D657 VanDerWaalsContact N-OD2 3.16Å; M640-D657 PolarHBondContact O-N 2.93Å
641	V	95.7	Very high	91.2	Very high	17 Å²	17	53.4 Å²	53.4	10%	0.103	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.4	170.8	-176.7	0	0	0	0	109.1	T626 V628 W644 W654 I656	T626-V641 HydrophobicContact CG2-CG2 3.93Å; T626-V641 PolarHBondContact O-N 3.39Å; V628-V641 HydrophobicContact CG2-CG2 3.93Å; V641-W644 HydrophobicContact CG1-CB 3.91Å; V641-W644 HydrophobicContact CG1-CD2 4.24Å; V641-W644 HydrophobicContact CG1-CE3 4.02Å; V641-W644 HydrophobicContact CG1-CG 4.29Å; V641-W654 HydrophobicContact CG1-CB 4.45Å; V641-W654 HydrophobicContact CG1-CD2 4.49Å; V641-W654 HydrophobicContact CG1-CE3 4.14Å; V641-W654 HydrophobicContact CG2-CE3 3.88Å; V641-W654 HydrophobicContact CG2-CZ3 4.21Å; V641-I656 HydrophobicContact CG2-CG2 4.25Å
642	I	93.7	Very high	91.3	Very high	81 Å²	81	47.7 Å²	47.7	42%	0.415	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-43.9	-178.9	-62.5	-178.8	0	0	0	110.9	I555 M640 F655 D657	I555-I642 HydrophobicContact CD1-CD1 3.39Å; I555-I642 HydrophobicContact CG1-CD1 3.92Å; I555-I642 HydrophobicContact CG2-CD1 4.46Å; M640-I642 PolarHBondContact O-N 2.91Å; I642-F655 PolarHBondContact N-O 2.88Å; I642-D657 HydrophobicContact CD1-CB 3.66Å; I642-D657 HydrophobicContact CG1-CB 4.04Å
643	D	89.8	Confident	91.5	Very high	48 Å²	48	41.8 Å²	41.8	26%	0.257	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.5	-179.3	-173.6	13	0	0	0	107.6	K646 W654 F655	D643-K646 IonicContact OD1-NZ 3.69Å; D643-K646 PolarHBondContact OD1-NZ 2.77Å; D643-K646 VanDerWaalsContact OD1-NZ 3.16Å; D643-K646 WeakPolarHBondContact OD2-CE 3.18Å; D643-K646 IonicContact OD2-NZ 2.77Å; D643-K646 PolarHBondContact OD2-NZ 3.12Å; D643-W654 CarbonylContact O-C 3.59Å; D643-W654 WeakPolarHBondContact O-CA 3.34Å; D643-F655 HydrophobicContact CB-CB 4.24Å; D643-F655 HydrophobicContact CB-CD2 4.05Å; D643-F655 PolarHBondContact N-O 2.91Å; D643-F655 PolarHBondContact O-N 3.35Å
644	W	87.2	Confident	91.7	Very high	64 Å²	64	41.1 Å²	41.1	24%	0.242	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	169.6	-169.1	46.2	10.1	0	0	0	111.2	S589 T626 V641 K646 W654	S589-W644 VanDerWaalsContact N-CH2 3.3Å; T626-W644 HydrophobicContact CG2-CZ3 4.46Å; T626-W644 WeakPolarHBondContact OG1-CZ3 3.35Å; V641-W644 HydrophobicContact CG1-CB 3.91Å; V641-W644 HydrophobicContact CG1-CD2 4.24Å; V641-W644 HydrophobicContact CG1-CE3 4.02Å; V641-W644 HydrophobicContact CG1-CG 4.29Å; W644-K646 PolarHBondContact O-N 3.28Å; W644-W654 HydrophobicContact CB-CB 4.37Å; W644-W654 HydrophobicContact CB-CD2 3.98Å; W644-W654 HydrophobicContact CB-CG 3.74Å
645	N	86.9	Confident	91.9	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.011	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.5	34.4	170.7	-56.2	-22	0	0	0	114.5	F413 F587 G588 W654	F413-N645 HydrophobicContact CD2-CB 4.5Å; F413-N645 HydrophobicContact CE2-CB 3.82Å; F587-N645 WeakPolarHBondContact CA-OD1 3.44Å; F587-N645 HydrophobicContact CD1-CB 3.73Å; F587-N645 HydrophobicContact CE1-CB 4.16Å; G588-N645 PolarHBondContact N-OD1 3.43Å; G588-N645 PolarHBondContact O-ND2 3.33Å; N645-W654 PolarHBondContact OD1-NE1 2.77Å
646	K	89.4	Confident	92.2	Very high	41 Å²	41	29.7 Å²	29.7	18%	0.178	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	128.6	163.9	-52.6	-51.6	-176.3	-156.5	0	108.4	L519 D643 W644 I652 L653 F655	L519-K646 HydrophobicContact CD1-CB 4.13Å; D643-K646 IonicContact OD1-NZ 3.69Å; D643-K646 PolarHBondContact OD1-NZ 2.77Å; D643-K646 VanDerWaalsContact OD1-NZ 3.16Å; D643-K646 WeakPolarHBondContact OD2-CE 3.18Å; D643-K646 IonicContact OD2-NZ 2.77Å; D643-K646 PolarHBondContact OD2-NZ 3.12Å; W644-K646 PolarHBondContact O-N 3.28Å; K646-I652 WeakPolarHBondContact O-CA 3.4Å; K646-L653 HydrophobicContact CB-CB 4.09Å; K646-L653 HydrophobicContact CB-CD2 4.47Å; K646-L653 HydrophobicContact CB-CG 4.49Å; K646-L653 PolarHBondContact N-O 3.29Å; K646-L653 PolarHBondContact O-N 2.97Å; K646-F655 HydrophobicContact CG-CD2 4.48Å; K646-F655 HydrophobicContact CG-CE2 3.86Å
647	V	87.8	Confident	92.4	Very high	20 Å²	20	24 Å²	24	12%	0.121	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	107.6	-173.9	-170.3	0	0	0	0	108.6	P512 Q513 F587	P512-V647 WeakPolarHBondContact CA-O 3.44Å; P512-V647 HydrophobicContact CB-CG1 4.11Å; Q513-V647 PolarHBondContact N-O 2.82Å; F587-V647 HydrophobicContact CE1-CG2 3.69Å; F587-V647 HydrophobicContact CZ-CG2 3.77Å
648	G	88.8	Confident	92.6	Very high	6 Å²	6	23.9 Å²	23.9	6%	0.062	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	158.9	170.4	0	0	0	0	0	110.9	P512 G514 D650 G651	P512-G648 VanDerWaalsContact CB-C 3.41Å; G514-G648 CarbonylContact O-C 3.14Å; G514-G648 VanDerWaalsContact O-CA 3.29Å; G514-G648 WeakPolarHBondContact O-CA 3.27Å; G648-D650 PolarHBondContact O-N 3Å; G648-G651 CarbonylContact C-O 3.52Å; G648-G651 WeakPolarHBondContact CA-O 3.46Å; G648-G651 PolarHBondContact N-O 2.97Å; G648-G651 PolarHBondContact O-N 3.16Å
649	G	86.8	Confident	92.5	Very high	14 Å²	14	23 Å²	23	14%	0.144	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.7	-179.5	0	0	0	0	0	113.6	H467 G514 P547	H467-G649 WeakPolarHBondContact CE1-CA 3.2Å; H467-G649 PolarHBondContact CE1-O 2.91Å; H467-G649 VanDerWaalsContact ND1-CA 3.26Å; H467-G649 WeakPolarHBondContact ND1-CA 3.38Å; H467-G649 PolarHBondContact ND1-O 2.87Å; G514-G649 PolarHBondContact O-N 3.12Å; P547-G649 WeakPolarHBondContact CB-O 3.22Å
650	D	89.9	Confident	92.5	Very high	19 Å²	19	23 Å²	23	10%	0.102	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	1.6	-179.7	64.7	-26.8	0	0	0	113	D515 I516 S546 V549 G648	D515-D650 WeakPolarHBondContact CA-OD1 3.33Å; D515-D650 WeakPolarHBondContact CB-OD1 3.47Å; I516-D650 WeakPolarHBondContact CG1-OD1 3.35Å; I516-D650 PolarHBondContact N-OD1 3.34Å; S546-D650 WeakPolarHBondContact CB-O 3.49Å; S546-D650 PolarHBondContact OG-O 3.21Å; V549-D650 WeakPolarHBondContact CG1-O 3.45Å; G648-D650 PolarHBondContact O-N 3Å
651	G	91.6	Very high	92.3	Very high	2 Å²	2	23.6 Å²	23.6	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-178.5	174.7	0	0	0	0	0	115.4	P547 V549 G648	P547-G651 WeakPolarHBondContact O-CA 3.19Å; V549-G651 WeakPolarHBondContact O-CA 3.3Å; G648-G651 CarbonylContact C-O 3.52Å; G648-G651 WeakPolarHBondContact CA-O 3.46Å; G648-G651 PolarHBondContact N-O 2.97Å; G648-G651 PolarHBondContact O-N 3.16Å
652	I	92.4	Very high	92	Very high	9 Å²	9	22.9 Å²	22.9	5%	0.046	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	142.2	176.5	-58.2	169.1	0	0	0	108.8	V549 L550 F551 F587 K646	V549-I652 PolarHBondContact O-N 2.55Å; L550-I652 CarbonylContact C-O 3.58Å; L550-I652 WeakPolarHBondContact CA-O 3.28Å; L550-I652 HydrophobicContact CD1-CB 4.03Å; L550-I652 HydrophobicContact CD1-CG2 3.79Å; F551-I652 PolarHBondContact N-O 3.31Å; F587-I652 HydrophobicContact CD2-CD1 3.74Å; F587-I652 HydrophobicContact CE2-CD1 3.36Å; F587-I652 HydrophobicContact CE2-CG1 4.23Å; F587-I652 HydrophobicContact CG-CD1 4.49Å; F587-I652 HydrophobicContact CZ-CD1 3.84Å; F587-I652 HydrophobicContact CZ-CG1 4.24Å; K646-I652 WeakPolarHBondContact O-CA 3.4Å
653	L	94.5	Very high	91.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.1	-179.4	170.5	70.7	0	0	0	110.7	I516 L519 I520 F551 A553 K646 F655	I516-L653 HydrophobicContact CG2-CD1 4.43Å; L519-L653 HydrophobicContact CB-CD2 3.56Å; I520-L653 HydrophobicContact CD1-CD1 4.5Å; I520-L653 HydrophobicContact CG1-CD1 4.08Å; I520-L653 HydrophobicContact CG1-CD2 3.86Å; F551-L653 HydrophobicContact CB-CD1 4.42Å; F551-L653 HydrophobicContact CD1-CD1 3.68Å; F551-L653 WeakPolarHBondContact O-CA 3.32Å; A553-L653 HydrophobicContact CB-CD1 3.59Å; K646-L653 HydrophobicContact CB-CB 4.09Å; K646-L653 HydrophobicContact CB-CD2 4.47Å; K646-L653 HydrophobicContact CB-CG 4.49Å; K646-L653 PolarHBondContact N-O 3.29Å; K646-L653 PolarHBondContact O-N 2.97Å; L653-F655 HydrophobicContact CD1-CE1 4.43Å; L653-F655 HydrophobicContact CD2-CE1 3.85Å; L653-F655 HydrophobicContact CD2-CE2 4.11Å; L653-F655 HydrophobicContact CD2-CZ 3.45Å; L653-F655 VanDerWaalsContact CD2-CZ 3.45Å; L653-F655 HydrophobicContact CG-CE1 4.26Å; L653-F655 HydrophobicContact CG-CE2 4.44Å; L653-F655 HydrophobicContact CG-CZ 4.09Å
654	W	95.6	Very high	91.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.6	167	-62.7	3.7	0	0	0	109.7	L550 F551 L552 A553 F586 I594 V641 D643 W644 N645	L550-W654 HydrophobicContact CD1-CB 4.4Å; L550-W654 HydrophobicContact CD1-CD2 3.89Å; L550-W654 HydrophobicContact CD1-CG 3.71Å; L550-W654 HydrophobicContact CD2-CD2 4.14Å; L550-W654 HydrophobicContact CD2-CE3 4.3Å; L550-W654 HydrophobicContact CD2-CH2 4.13Å; L550-W654 HydrophobicContact CD2-CZ2 3.89Å; L550-W654 HydrophobicContact CD2-CZ3 4.32Å; F551-W654 PolarHBondContact O-N 3.48Å; L552-W654 CarbonylContact C-O 3.6Å; L552-W654 WeakPolarHBondContact CA-O 3.26Å; L552-W654 HydrophobicContact CD2-CB 3.97Å; L552-W654 HydrophobicContact CD2-CD2 4.33Å; L552-W654 HydrophobicContact CD2-CE3 3.92Å; L552-W654 HydrophobicContact CD2-CG 4.42Å; A553-W654 PolarHBondContact N-O 2.9Å; F586-W654 HydrophobicContact CD2-CH2 4.09Å; F586-W654 HydrophobicContact CD2-CZ2 4.02Å; F586-W654 AromaticContact CE2-CH2 3.59Å; F586-W654 HydrophobicContact CE2-CH2 3.59Å; F586-W654 AromaticContact CE2-CZ2 3.92Å; F586-W654 HydrophobicContact CE2-CZ2 3.92Å; F586-W654 HydrophobicContact CE2-CZ3 4.46Å; I594-W654 HydrophobicContact CD1-CH2 3.82Å; I594-W654 HydrophobicContact CD1-CZ3 4.49Å; V641-W654 HydrophobicContact CG1-CB 4.45Å; V641-W654 HydrophobicContact CG1-CD2 4.49Å; V641-W654 HydrophobicContact CG1-CE3 4.14Å; V641-W654 HydrophobicContact CG2-CE3 3.88Å; V641-W654 HydrophobicContact CG2-CZ3 4.21Å; D643-W654 CarbonylContact O-C 3.59Å; D643-W654 WeakPolarHBondContact O-CA 3.34Å; W644-W654 HydrophobicContact CB-CB 4.37Å; W644-W654 HydrophobicContact CB-CD2 3.98Å; W644-W654 HydrophobicContact CB-CG 3.74Å; N645-W654 PolarHBondContact OD1-NE1 2.77Å
655	F	96.4	Very high	91.4	Very high	3 Å²	3	30 Å²	30	1%	0.013	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.2	171.6	-61.7	-70.7	0	0	0	110.5	K523 T526 A553 I555 I642 D643 K646 L653	K523-F655 HydrophobicContact CB-CE1 4.29Å; K523-F655 HydrophobicContact CB-CZ 3.96Å; K523-F655 HydrophobicContact CD-CD1 3.72Å; K523-F655 HydrophobicContact CD-CD2 3.64Å; K523-F655 HydrophobicContact CD-CE1 3.62Å; K523-F655 HydrophobicContact CD-CE2 3.49Å; K523-F655 VanDerWaalsContact CD-CE2 3.49Å; K523-F655 HydrophobicContact CD-CG 3.74Å; K523-F655 HydrophobicContact CD-CZ 3.48Å; K523-F655 VanDerWaalsContact CD-CZ 3.48Å; K523-F655 HydrophobicContact CG-CE1 4.46Å; K523-F655 HydrophobicContact CG-CZ 4.32Å; T526-F655 HydrophobicContact CG2-CD1 3.79Å; T526-F655 HydrophobicContact CG2-CE1 3.71Å; A553-F655 HydrophobicContact CB-CD1 3.78Å; A553-F655 HydrophobicContact CB-CE1 3.98Å; A553-F655 VanDerWaalsContact O-CA 3.24Å; A553-F655 WeakPolarHBondContact O-CA 3.34Å; I555-F655 HydrophobicContact CG2-CB 4.39Å; I642-F655 PolarHBondContact N-O 2.88Å; D643-F655 HydrophobicContact CB-CB 4.24Å; D643-F655 HydrophobicContact CB-CD2 4.05Å; D643-F655 PolarHBondContact N-O 2.91Å; D643-F655 PolarHBondContact O-N 3.35Å; K646-F655 HydrophobicContact CG-CD2 4.48Å; K646-F655 HydrophobicContact CG-CE2 3.86Å; L653-F655 HydrophobicContact CD1-CE1 4.43Å; L653-F655 HydrophobicContact CD2-CE1 3.85Å; L653-F655 HydrophobicContact CD2-CE2 4.11Å; L653-F655 HydrophobicContact CD2-CZ 3.45Å; L653-F655 VanDerWaalsContact CD2-CZ 3.45Å; L653-F655 HydrophobicContact CG-CE1 4.26Å; L653-F655 HydrophobicContact CG-CE2 4.44Å; L653-F655 HydrophobicContact CG-CZ 4.09Å
656	I	97.3	Very high	91.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	159.5	178.8	63.5	176.6	0	0	0	110.7	L552 A553 P554 I555 M640 V641 W658	L552-I656 HydrophobicContact CB-CD1 4.08Å; L552-I656 HydrophobicContact CB-CG2 4.41Å; A553-I656 PolarHBondContact O-N 3.41Å; P554-I656 CarbonylContact C-O 3.51Å; P554-I656 WeakPolarHBondContact CA-O 3.34Å; P554-I656 HydrophobicContact CB-CG1 4.05Å; P554-I656 HydrophobicContact CG-CD1 4.03Å; P554-I656 HydrophobicContact CG-CG1 3.96Å; I555-I656 PolarHBondContact N-O 3.02Å; M640-I656 CarbonylContact O-C 3.56Å; M640-I656 VanDerWaalsContact O-CA 3.24Å; M640-I656 WeakPolarHBondContact O-CA 3.38Å; V641-I656 HydrophobicContact CG2-CG2 4.25Å; I656-W658 WeakPolarHBondContact CD1-O 3.41Å
657	D	96.1	Very high	91.3	Very high	23 Å²	23	30.2 Å²	30.2	12%	0.123	15%	0.151	C	C	.	.	S	Bend	trans	-67	-41.1	-175.7	59.2	-4.4	0	0	0	114.7	I555 G558 S639 M640 I642	I555-D657 WeakPolarHBondContact CG1-O 3.37Å; G558-D657 WeakPolarHBondContact CA-O 3.47Å; G558-D657 PolarHBondContact N-O 2.86Å; S639-D657 WeakPolarHBondContact CA-OD1 3.19Å; S639-D657 WeakPolarHBondContact CB-OD1 3.25Å; M640-D657 HydrophobicContact CB-CB 4.49Å; M640-D657 VanDerWaalsContact CB-OD2 3.24Å; M640-D657 WeakPolarHBondContact CB-OD2 3.36Å; M640-D657 PolarHBondContact N-OD1 3.39Å; M640-D657 PolarHBondContact N-OD2 2.81Å; M640-D657 VanDerWaalsContact N-OD2 3.16Å; M640-D657 PolarHBondContact O-N 2.93Å; I642-D657 HydrophobicContact CD1-CB 3.66Å; I642-D657 HydrophobicContact CG1-CB 4.04Å
658	W	95.1	Very high	91.5	Very high	72 Å²	72	30.8 Å²	30.8	27%	0.273	15%	0.152	S	C	.	.	S	Bend	trans	-148.4	158.7	178.5	58.4	59.1	0	0	0	112.8	R562 L637 W638 S639 I656 M660	R562-W658 VanDerWaalsContact NH2-CG 3.26Å; L637-W658 PolarHBondContact O-NE1 3Å; W638-W658 WeakPolarHBondContact O-CZ2 3.37Å; S639-W658 WeakPolarHBondContact CB-O 3.27Å; S639-W658 VanDerWaalsContact OG-CD1 3.23Å; S639-W658 PolarHBondContact OG-O 2.93Å; I656-W658 WeakPolarHBondContact CD1-O 3.41Å; W658-M660 PolarHBondContact O-N 3.26Å
659	P	95.7	Very high	91.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-62.6	135.5	174.2	27.1	-37.1	0	0	0	110.7	P554 W559 R562 K661	P554-P659 HydrophobicContact CB-CB 4.35Å; P554-P659 HydrophobicContact CG-CB 3.91Å; W559-P659 HydrophobicContact CD2-CG 3.97Å; W559-P659 HydrophobicContact CE3-CB 4.39Å; W559-P659 HydrophobicContact CE3-CG 3.72Å; W559-P659 HydrophobicContact CH2-CB 3.65Å; W559-P659 HydrophobicContact CH2-CG 3.91Å; W559-P659 HydrophobicContact CZ2-CB 3.93Å; W559-P659 HydrophobicContact CZ2-CG 4.13Å; W559-P659 HydrophobicContact CZ3-CB 3.89Å; W559-P659 HydrophobicContact CZ3-CG 3.69Å; R562-P659 HydrophobicContact CB-CG 4.32Å; R562-P659 HydrophobicContact CG-CG 3.79Å; P659-K661 PolarHBondContact O-N 2.8Å
660	M	94.7	Very high	91.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-63.8	128.4	168.2	-65.9	-178.7	-75	0	0	108.9	L552 L576 L579 H580 L616 V628 S639 W658 C662	L552-M660 HydrophobicContact CD1-CE 3.81Å; L576-M660 WeakPolarHBondContact CD1-O 3.3Å; L579-M660 HydrophobicContact CD2-CB 4.17Å; L579-M660 HydrophobicContact CG-CE 4.29Å; H580-M660 PolarHBondContact CE1-N 3.23Å; H580-M660 VanDerWaalsContact CE1-N 3.32Å; H580-M660 PolarHBondContact NE2-N 2.8Å; L616-M660 HydrophobicContact CD1-CE 4.3Å; L616-M660 HydrophobicContact CD2-CE 4.17Å; L616-M660 HydrophobicContact CD2-SD 4.06Å; V628-M660 HydrophobicContact CB-SD 4.38Å; V628-M660 HydrophobicContact CG1-CE 4.43Å; V628-M660 HydrophobicContact CG1-SD 3.9Å; S639-M660 WeakPolarHBondContact OG-CG 3.01Å; W658-M660 PolarHBondContact O-N 3.26Å; M660-C662 PolarHBondContact O-N 2.71Å
661	K	92.3	Very high	92	Very high	74 Å²	74	33.9 Å²	33.9	32%	0.322	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-61.1	128	173.2	-179.1	-178.1	174	-172.8	0	108.3	H630 L633 P659 E664	H630-K661 PolarHBondContact NE2-O 3.29Å; L633-K661 HydrophobicContact CD1-CB 4.07Å; P659-K661 PolarHBondContact O-N 2.8Å; K661-E664 IonicContact NZ-OE1 3.34Å; K661-E664 PolarHBondContact NZ-OE1 3.08Å
662	C	90.3	Very high	92	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.02	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-63.8	148.8	173	-75.2	0	0	0	0	111.7	M660 E664 C667	M660-C662 PolarHBondContact O-N 2.71Å; C662-E664 PolarHBondContact O-N 2.94Å; C662-C667 HydrophobicContact CB-CB 3.32Å; C662-C667 WeakPolarHBondContact CB-SG 3.34Å; C662-C667 WeakPolarHBondContact SG-CB 3.41Å; C662-C667 CovalentContact SG-SG 2.03Å; C662-C667 PolarHBondContact SG-SG 3.18Å
663	P	89.5	Confident	92	Very high	14 Å²	14	37.7 Å²	37.7	9%	0.091	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-53.5	128.8	162	-22.8	33	0	0	0	110.2	Q665 L666	P663-Q665 PolarHBondContact O-N 3.43Å; P663-Q665 VanDerWaalsContact O-N 3.08Å; P663-L666 HydrophobicContact CB-CB 4.41Å; P663-L666 HydrophobicContact CB-CD1 3.94Å; P663-L666 HydrophobicContact CB-CG 4.02Å; P663-L666 HydrophobicContact CG-CD1 3.94Å; P663-L666 PolarHBondContact O-N 3.43Å
664	E	84.1	Confident	91.8	Very high	164 Å²	164	40.4 Å²	40.4	77%	0.766	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.8	-167.4	-69.3	-176.9	172.4	0	0	113.8	K661 C662 L666	K661-E664 IonicContact NZ-OE1 3.34Å; K661-E664 PolarHBondContact NZ-OE1 3.08Å; C662-E664 PolarHBondContact O-N 2.94Å; E664-L666 VanDerWaalsContact C-N 3.27Å; E664-L666 PolarHBondContact O-N 2.89Å
665	Q	84.6	Confident	91.5	Very high	163 Å²	163	43.5 Å²	43.5	76%	0.762	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.6	179.4	-63	-177.7	-8.2	0	0	113.6	L609 P663	L609-Q665 HydrophobicContact CD1-CB 4.44Å; P663-Q665 PolarHBondContact O-N 3.43Å; P663-Q665 VanDerWaalsContact O-N 3.08Å
666	L	88.8	Confident	91.1	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.099	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-40.5	-169.6	-61.1	-172.8	0	0	0	114.5	K575 L606 D608 L609 V614 P663 E664	K575-L666 WeakPolarHBondContact CD-O 3.1Å; K575-L666 WeakPolarHBondContact CE-O 3.38Å; K575-L666 PolarHBondContact NZ-O 2.94Å; L606-L666 HydrophobicContact CD2-CB 4.31Å; L606-L666 HydrophobicContact CD2-CD1 3.97Å; L606-L666 HydrophobicContact CG-CD1 4.36Å; D608-L666 HydrophobicContact CB-CD1 4.17Å; D608-L666 HydrophobicContact CB-CD2 4.12Å; L609-L666 HydrophobicContact CD2-CD2 4.41Å; L609-L666 HydrophobicContact CG-CD2 4Å; V614-L666 HydrophobicContact CG2-CD1 3.5Å; P663-L666 HydrophobicContact CB-CB 4.41Å; P663-L666 HydrophobicContact CB-CD1 3.94Å; P663-L666 HydrophobicContact CB-CG 4.02Å; P663-L666 HydrophobicContact CG-CD1 3.94Å; P663-L666 PolarHBondContact O-N 3.43Å; E664-L666 VanDerWaalsContact C-N 3.27Å; E664-L666 PolarHBondContact O-N 2.89Å
667	C	85	Confident	90.5	Very high	30 Å²	30	51.1 Å²	51.1	20%	0.203	24%	0.242	C	C	.	.			trans	-88.2	0	-167.9	-75.1	0	0	0	0	116	Y568 Q572 K575 C662	Y568-C667 HydrophobicContact CE2-CB 4.18Å; Q572-C667 WeakPolarHBondContact CG-O 3.46Å; Q572-C667 WeakPolarHBondContact CG-OXT 3.36Å; Q572-C667 PolarHBondContact NE2-O 3.27Å; K575-C667 PolarHBondContact NZ-OXT 3.26Å; C662-C667 HydrophobicContact CB-CB 3.32Å; C662-C667 WeakPolarHBondContact CB-SG 3.34Å; C662-C667 WeakPolarHBondContact SG-CB 3.41Å; C662-C667 CovalentContact SG-SG 2.03Å; C662-C667 PolarHBondContact SG-SG 3.18Å

Retrieved 667 of 667 residues in 1560.4 ms (Link to these results)

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