A0A5K4F5X6_SCHMA Loading...

Retinol dehydrogenase 12 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F5X6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.7	Low	51.1	Low	186 Å²	186	122.9 Å²	122.9	92%	0.916	65%	0.645	S	S	*	*				0	-36.4	0	-96.9	177.2	-73.8	0	0	111.8	Q3 L4 Y5	M1-Q3 PolarHBondContact O-N 3.27Å; M1-L4 PolarHBondContact O-N 3.37Å; M1-L4 VanDerWaalsContact O-N 3.15Å; M1-Y5 WeakPolarHBondContact O-CD2 3.23Å; M1-Y5 PolarHBondContact O-N 3.13Å
2	D	55	Low	50.9	Low	138 Å²	138	125.9 Å²	125.9	74%	0.738	65%	0.65	S	S	*	*	H	α-helix	trans	-65.6	-29.1	-174.7	-56.4	-48.4	0	0	0	115.8	S6	D2-S6 WeakPolarHBondContact O-CB 3.16Å; D2-S6 PolarHBondContact O-N 3.39Å
3	Q	51	Low	50.7	Low	181 Å²	181	125.2 Å²	125.2	85%	0.846	65%	0.647	S	S	*	*	H	α-helix	trans	-71.6	-29.2	174.4	-80	-173.7	-21.9	0	0	113.4	M1 F7	M1-Q3 PolarHBondContact O-N 3.27Å; Q3-F7 PolarHBondContact O-N 3.17Å
4	L	51	Low	50.8	Low	132 Å²	132	120.1 Å²	120.1	69%	0.691	63%	0.627	S	S	*	*	H	α-helix	trans	-76.8	-37.3	176.6	-149.3	84.8	0	0	0	110.8	M1 F7 V8	M1-L4 PolarHBondContact O-N 3.37Å; M1-L4 VanDerWaalsContact O-N 3.15Å; L4-F7 PolarHBondContact O-N 3.03Å; L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.43Å; L4-V8 PolarHBondContact O-N 3.33Å
5	Y	52.1	Low	51.3	Low	163 Å²	163	117.5 Å²	117.5	64%	0.639	62%	0.619	S	S	*	*	H	α-helix	trans	-66.9	-35.5	173.1	-84.9	-80.7	0	0	0	112.7	M1 S9	M1-Y5 WeakPolarHBondContact O-CD2 3.23Å; M1-Y5 PolarHBondContact O-N 3.13Å; Y5-S9 WeakPolarHBondContact O-CB 3.11Å; Y5-S9 PolarHBondContact O-N 2.81Å
6	S	52.5	Low	51.5	Low	73 Å²	73	120.5 Å²	120.5	51%	0.51	62%	0.621	S	S	.	*	H	α-helix	trans	-64.3	-41.5	173.3	-175.2	0	0	0	0	111.9	D2 S9 V10	D2-S6 WeakPolarHBondContact O-CB 3.16Å; D2-S6 PolarHBondContact O-N 3.39Å; S6-S9 PolarHBondContact O-N 2.68Å; S6-V10 WeakPolarHBondContact O-CG2 3.28Å; S6-V10 PolarHBondContact O-N 3.15Å
7	F	50.1	Low	52.2	Low	156 Å²	156	120.6 Å²	120.6	68%	0.684	62%	0.62	S	S	*	*	H	α-helix	trans	-69.8	-40.9	178.9	-147.8	-93.7	0	0	0	112.7	Q3 L4 V10 C11	Q3-F7 PolarHBondContact O-N 3.17Å; L4-F7 PolarHBondContact O-N 3.03Å; F7-V10 PolarHBondContact O-N 2.91Å; F7-C11 PolarHBondContact O-N 3.2Å; F7-C11 PolarHBondContact O-SG 2.84Å
8	V	51	Low	53	Low	77 Å²	77	123.6 Å²	123.6	47%	0.467	62%	0.623	S	S	.	*	H	α-helix	trans	-69.4	-36.3	176	177.1	0	0	0	0	111.1	L4 C11 F12	L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.43Å; L4-V8 PolarHBondContact O-N 3.33Å; V8-C11 PolarHBondContact O-N 3.28Å; V8-F12 HydrophobicContact CG1-CD2 4.18Å; V8-F12 HydrophobicContact CG1-CE2 4.26Å; V8-F12 WeakPolarHBondContact O-CD2 3.45Å; V8-F12 PolarHBondContact O-N 2.85Å
9	S	48.7	Very low	54	Low	58 Å²	58	122.2 Å²	122.2	41%	0.406	62%	0.616	S	S	.	*	H	α-helix	trans	-66.6	-40.4	176	-160.5	0	0	0	0	111.6	Y5 S6 C11 F12 L13	Y5-S9 WeakPolarHBondContact O-CB 3.11Å; Y5-S9 PolarHBondContact O-N 2.81Å; S6-S9 PolarHBondContact O-N 2.68Å; S9-C11 VanDerWaalsContact C-N 3.3Å; S9-C11 PolarHBondContact O-N 2.77Å; S9-F12 PolarHBondContact O-N 2.66Å; S9-F12 VanDerWaalsContact O-N 3.12Å; S9-L13 WeakPolarHBondContact O-CB 2.98Å; S9-L13 VanDerWaalsContact O-CD1 3.31Å; S9-L13 WeakPolarHBondContact O-CD1 3.29Å; S9-L13 WeakPolarHBondContact O-CG 3.24Å; S9-L13 PolarHBondContact O-N 3.42Å; S9-L13 WeakPolarHBondContact OG-CD1 3.2Å
10	V	50.3	Low	54.9	Low	100 Å²	100	120.8 Å²	120.8	61%	0.606	61%	0.614	S	S	*	*	H	α-helix	trans	-64.2	-32.7	176.1	172.9	0	0	0	0	112.4	S6 F7 F12 L13	S6-V10 WeakPolarHBondContact O-CG2 3.28Å; S6-V10 PolarHBondContact O-N 3.15Å; F7-V10 PolarHBondContact O-N 2.91Å; V10-F12 VanDerWaalsContact C-N 3.32Å; V10-F12 PolarHBondContact O-N 3.2Å; V10-L13 PolarHBondContact O-N 3.28Å
11	C	48.1	Very low	55.9	Low	88 Å²	88	119.1 Å²	119.1	60%	0.595	61%	0.609	S	S	*	*	H	α-helix	trans	-72.1	-21.5	174.8	-70.3	0	0	0	0	114.2	F7 V8 S9	F7-C11 PolarHBondContact O-N 3.2Å; F7-C11 PolarHBondContact O-SG 2.84Å; V8-C11 PolarHBondContact O-N 3.28Å; S9-C11 VanDerWaalsContact C-N 3.3Å; S9-C11 PolarHBondContact O-N 2.77Å
12	F	48.4	Very low	57.2	Low	159 Å²	159	112.6 Å²	112.6	70%	0.697	59%	0.585	S	S	*	*	H	α-helix	trans	-100.7	-4.7	175.1	-79.3	-82.8	0	0	0	113.7	V8 S9 V10	V8-F12 HydrophobicContact CG1-CD2 4.18Å; V8-F12 HydrophobicContact CG1-CE2 4.26Å; V8-F12 WeakPolarHBondContact O-CD2 3.45Å; V8-F12 PolarHBondContact O-N 2.85Å; S9-F12 PolarHBondContact O-N 2.66Å; S9-F12 VanDerWaalsContact O-N 3.12Å; V10-F12 VanDerWaalsContact C-N 3.32Å; V10-F12 PolarHBondContact O-N 3.2Å
13	L	47.9	Very low	58.2	Low	117 Å²	117	109.8 Å²	109.8	61%	0.613	57%	0.572	S	S	*	*	S	Bend	trans	-102.3	7.9	-170.2	-85	170.2	0	0	0	116.6	S9 V10 P15	S9-L13 WeakPolarHBondContact O-CB 2.98Å; S9-L13 VanDerWaalsContact O-CD1 3.31Å; S9-L13 WeakPolarHBondContact O-CD1 3.29Å; S9-L13 WeakPolarHBondContact O-CG 3.24Å; S9-L13 PolarHBondContact O-N 3.42Å; S9-L13 WeakPolarHBondContact OG-CD1 3.2Å; V10-L13 PolarHBondContact O-N 3.28Å; L13-P15 VanDerWaalsContact C-CD 3.47Å; L13-P15 WeakPolarHBondContact O-CD 3.38Å
14	C	52	Low	59.4	Low	54 Å²	54	102.6 Å²	102.6	37%	0.365	55%	0.547	S	S	.	.			trans	-109.7	85.4	169	-146.8	0	0	0	0	109.7	Y16 M17	C14-Y16 PolarHBondContact O-N 2.89Å; C14-M17 HydrophobicContact CB-CB 4.35Å; C14-M17 HydrophobicContact CB-CG 3.85Å; C14-M17 WeakPolarHBondContact O-CB 3.5Å; C14-M17 PolarHBondContact O-N 3.4Å
15	P	58.6	Low	60.9	Low	80 Å²	80	98.5 Å²	98.5	52%	0.519	53%	0.532	S	S	.	.	H	α-helix	trans	-52.6	-22.6	173.1	19.9	-31.1	0	0	0	112.2	L13 I19	L13-P15 VanDerWaalsContact C-CD 3.47Å; L13-P15 WeakPolarHBondContact O-CD 3.38Å; P15-I19 WeakPolarHBondContact O-CD1 3.09Å; P15-I19 WeakPolarHBondContact O-CG1 3.27Å; P15-I19 PolarHBondContact O-N 3.33Å
16	Y	55.5	Low	62	Low	166 Å²	166	93.2 Å²	93.2	65%	0.651	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-32.3	172.5	-55.1	-73.1	0	0	0	114.3	C14 I19 V20	C14-Y16 PolarHBondContact O-N 2.89Å; Y16-I19 PolarHBondContact O-N 3.08Å; Y16-V20 VanDerWaalsContact O-CG2 3.28Å; Y16-V20 WeakPolarHBondContact O-CG2 3.31Å; Y16-V20 PolarHBondContact O-N 2.85Å
17	M	62	Low	62.9	Low	122 Å²	122	96.1 Å²	96.1	60%	0.601	52%	0.515	S	S	*	.	H	α-helix	trans	-67.1	-43.7	179.1	-75.6	-64	-68.3	0	0	111.7	C14 I19 V20 V21	C14-M17 HydrophobicContact CB-CB 4.35Å; C14-M17 HydrophobicContact CB-CG 3.85Å; C14-M17 WeakPolarHBondContact O-CB 3.5Å; C14-M17 PolarHBondContact O-N 3.4Å; M17-I19 VanDerWaalsContact C-N 3.31Å; M17-I19 PolarHBondContact O-N 3.27Å; M17-V20 PolarHBondContact O-N 3.05Å; M17-V21 WeakPolarHBondContact O-CG2 3.47Å; M17-V21 PolarHBondContact O-N 3.4Å
18	W	67.5	Low	64	Low	175 Å²	175	93.2 Å²	93.2	66%	0.663	51%	0.506	S	S	*	.	H	α-helix	trans	-66	-34.3	174.3	-73.2	109.9	0	0	0	112.4	V21 A22	W18-V21 PolarHBondContact O-N 3.5Å; W18-A22 VanDerWaalsContact O-CB 3.25Å; W18-A22 WeakPolarHBondContact O-CB 3.44Å; W18-A22 PolarHBondContact O-N 2.93Å
19	I	71.6	Confident	65	Low	96 Å²	96	92.9 Å²	92.9	49%	0.492	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-44.6	172.1	-67	165.9	0	0	0	110.4	P15 Y16 M17 A22 V23	P15-I19 WeakPolarHBondContact O-CD1 3.09Å; P15-I19 WeakPolarHBondContact O-CG1 3.27Å; P15-I19 PolarHBondContact O-N 3.33Å; Y16-I19 PolarHBondContact O-N 3.08Å; M17-I19 VanDerWaalsContact C-N 3.31Å; M17-I19 PolarHBondContact O-N 3.27Å; I19-A22 PolarHBondContact O-N 3.31Å; I19-V23 HydrophobicContact CG2-CG2 4.08Å; I19-V23 VanDerWaalsContact O-CB 3.3Å; I19-V23 WeakPolarHBondContact O-CB 3.41Å; I19-V23 WeakPolarHBondContact O-CG2 3.36Å; I19-V23 PolarHBondContact O-N 3.02Å
20	V	71.9	Confident	66	Low	95 Å²	95	93.6 Å²	93.6	58%	0.576	50%	0.497	S	S	*	.	H	α-helix	trans	-63.6	-42.3	177.4	171.2	0	0	0	0	111.3	Y16 M17 G24	Y16-V20 VanDerWaalsContact O-CG2 3.28Å; Y16-V20 WeakPolarHBondContact O-CG2 3.31Å; Y16-V20 PolarHBondContact O-N 2.85Å; M17-V20 PolarHBondContact O-N 3.05Å; V20-G24 WeakPolarHBondContact O-CA 3.38Å; V20-G24 PolarHBondContact O-N 3.01Å
21	V	77.2	Confident	66.9	Low	85 Å²	85	96.1 Å²	96.1	52%	0.515	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-44.7	174.8	175.5	0	0	0	0	111.2	M17 W18 G24 A25	M17-V21 WeakPolarHBondContact O-CG2 3.47Å; M17-V21 PolarHBondContact O-N 3.4Å; W18-V21 PolarHBondContact O-N 3.5Å; V21-G24 PolarHBondContact O-N 2.8Å; V21-A25 VanDerWaalsContact O-CB 3.27Å; V21-A25 WeakPolarHBondContact O-CB 3.33Å; V21-A25 PolarHBondContact O-N 2.94Å
22	A	78.4	Confident	67.7	Low	49 Å²	49	97.5 Å²	97.5	41%	0.405	49%	0.493	S	S	.	.	H	α-helix	trans	-64.9	-44.5	178.3	0	0	0	0	0	112	W18 I19 A25 L26	W18-A22 VanDerWaalsContact O-CB 3.25Å; W18-A22 WeakPolarHBondContact O-CB 3.44Å; W18-A22 PolarHBondContact O-N 2.93Å; I19-A22 PolarHBondContact O-N 3.31Å; A22-A25 PolarHBondContact O-N 3.17Å; A22-L26 WeakPolarHBondContact O-CB 3.4Å; A22-L26 WeakPolarHBondContact O-CG 3.41Å; A22-L26 PolarHBondContact O-N 3.46Å
23	V	75.9	Confident	68.1	Low	79 Å²	79	98.6 Å²	98.6	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-64.9	-42.1	175.8	171.5	0	0	0	0	110.7	I19 L26 Y27	I19-V23 HydrophobicContact CG2-CG2 4.08Å; I19-V23 VanDerWaalsContact O-CB 3.3Å; I19-V23 WeakPolarHBondContact O-CB 3.41Å; I19-V23 WeakPolarHBondContact O-CG2 3.36Å; I19-V23 PolarHBondContact O-N 3.02Å; V23-L26 PolarHBondContact O-N 3.22Å; V23-Y27 VanDerWaalsContact O-CB 3.29Å; V23-Y27 WeakPolarHBondContact O-CB 3.43Å; V23-Y27 PolarHBondContact O-N 3.41Å
24	G	77.7	Confident	68.8	Low	30 Å²	30	95.5 Å²	95.5	31%	0.309	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-44.9	175.6	0	0	0	0	0	112.4	V20 V21 Y27 I28	V20-G24 WeakPolarHBondContact O-CA 3.38Å; V20-G24 PolarHBondContact O-N 3.01Å; V21-G24 PolarHBondContact O-N 2.8Å; G24-Y27 PolarHBondContact O-N 2.73Å; G24-I28 WeakPolarHBondContact O-CG1 3.21Å; G24-I28 PolarHBondContact O-N 3.26Å
25	A	81.3	Confident	69.3	Low	46 Å²	46	94.2 Å²	94.2	38%	0.38	47%	0.472	S	S	.	.	H	α-helix	trans	-62.9	-44.9	174.6	0	0	0	0	0	111.4	V21 A22 Y27 I28 I29	V21-A25 VanDerWaalsContact O-CB 3.27Å; V21-A25 WeakPolarHBondContact O-CB 3.33Å; V21-A25 PolarHBondContact O-N 2.94Å; A22-A25 PolarHBondContact O-N 3.17Å; A25-Y27 VanDerWaalsContact C-N 3.31Å; A25-Y27 PolarHBondContact O-N 2.91Å; A25-I28 PolarHBondContact O-N 2.91Å; A25-I29 WeakPolarHBondContact O-CB 3.16Å; A25-I29 VanDerWaalsContact O-CG1 3.22Å; A25-I29 WeakPolarHBondContact O-CG1 3.3Å; A25-I29 PolarHBondContact O-N 3.09Å
26	L	75.4	Confident	69.9	Low	52 Å²	52	95 Å²	95	27%	0.272	47%	0.468	S	S	.	.	H	α-helix	trans	-65.5	-33.7	175.7	-69.2	167.4	0	0	0	112.1	A22 V23 K30 F271 W273 L274	A22-L26 WeakPolarHBondContact O-CB 3.4Å; A22-L26 WeakPolarHBondContact O-CG 3.41Å; A22-L26 PolarHBondContact O-N 3.46Å; V23-L26 PolarHBondContact O-N 3.22Å; L26-K30 VanDerWaalsContact O-CB 3.29Å; L26-K30 WeakPolarHBondContact O-CB 3.49Å; L26-K30 PolarHBondContact O-N 2.89Å; L26-F271 HydrophobicContact CD2-CE1 4.17Å; L26-W273 HydrophobicContact CB-CH2 3.4Å; L26-W273 VanDerWaalsContact CB-CH2 3.4Å; L26-W273 HydrophobicContact CB-CZ2 3.44Å; L26-W273 VanDerWaalsContact CB-CZ2 3.44Å; L26-W273 HydrophobicContact CD1-CZ2 3.86Å; L26-W273 HydrophobicContact CG-CZ2 4.18Å; L26-L274 HydrophobicContact CD2-CD1 4.39Å
27	Y	72.3	Confident	71.2	Confident	135 Å²	135	89.2 Å²	89.2	53%	0.529	45%	0.451	S	S	.	.	H	α-helix	trans	-68.4	-42.9	173.6	174.7	-93.9	0	0	0	111.8	V23 G24 A25 K30 R31	V23-Y27 VanDerWaalsContact O-CB 3.29Å; V23-Y27 WeakPolarHBondContact O-CB 3.43Å; V23-Y27 PolarHBondContact O-N 3.41Å; G24-Y27 PolarHBondContact O-N 2.73Å; A25-Y27 VanDerWaalsContact C-N 3.31Å; A25-Y27 PolarHBondContact O-N 2.91Å; Y27-K30 CarbonylContact O-C 3.55Å; Y27-K30 WeakPolarHBondContact O-CB 3.47Å; Y27-K30 PolarHBondContact O-N 2.85Å; Y27-R31 WeakPolarHBondContact O-CB 3.29Å; Y27-R31 PolarHBondContact O-N 2.9Å
28	I	73	Confident	72.3	Confident	94 Å²	94	87.3 Å²	87.3	48%	0.482	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-45	174.6	-68.7	170.9	0	0	0	109.8	G24 A25 K30 R31 E32	G24-I28 WeakPolarHBondContact O-CG1 3.21Å; G24-I28 PolarHBondContact O-N 3.26Å; A25-I28 PolarHBondContact O-N 2.91Å; I28-K30 VanDerWaalsContact C-N 3.29Å; I28-K30 PolarHBondContact O-N 2.66Å; I28-R31 PolarHBondContact O-N 3.26Å; I28-R31 VanDerWaalsContact O-N 3.14Å; I28-E32 HydrophobicContact CG2-CG 4.03Å; I28-E32 WeakPolarHBondContact O-CB 3.49Å; I28-E32 WeakPolarHBondContact O-CG 3.36Å; I28-E32 PolarHBondContact O-N 3.43Å
29	I	71.5	Confident	73.2	Confident	71 Å²	71	79.1 Å²	79.1	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-57.8	-45.9	173.7	-71.9	165.9	0	0	0	109.8	A25 R31 Y33 F34	A25-I29 WeakPolarHBondContact O-CB 3.16Å; A25-I29 VanDerWaalsContact O-CG1 3.22Å; A25-I29 WeakPolarHBondContact O-CG1 3.3Å; A25-I29 PolarHBondContact O-N 3.09Å; I29-R31 VanDerWaalsContact C-N 3.35Å; I29-R31 PolarHBondContact O-N 3.3Å; I29-Y33 HydrophobicContact CG2-CD2 4.33Å; I29-Y33 WeakPolarHBondContact O-CA 3.48Å; I29-Y33 WeakPolarHBondContact O-CB 2.86Å; I29-Y33 PolarHBondContact O-N 3Å; I29-F34 HydrophobicContact CG2-CD2 3.96Å; I29-F34 HydrophobicContact CG2-CE2 3.62Å; I29-F34 WeakPolarHBondContact O-CD2 3.39Å
30	K	70.4	Confident	74.1	Confident	73 Å²	73	80.5 Å²	80.5	32%	0.317	42%	0.423	S	S	.	.	H	α-helix	trans	-55.9	-49.8	174.4	-169.1	179.8	171	169.7	0	110.9	L26 Y27 I28 F34 G35 W273 L274	L26-K30 VanDerWaalsContact O-CB 3.29Å; L26-K30 WeakPolarHBondContact O-CB 3.49Å; L26-K30 PolarHBondContact O-N 2.89Å; Y27-K30 CarbonylContact O-C 3.55Å; Y27-K30 WeakPolarHBondContact O-CB 3.47Å; Y27-K30 PolarHBondContact O-N 2.85Å; I28-K30 VanDerWaalsContact C-N 3.29Å; I28-K30 PolarHBondContact O-N 2.66Å; K30-F34 HydrophobicContact CG-CB 4.21Å; K30-F34 CarbonylContact O-C 3.57Å; K30-F34 WeakPolarHBondContact O-CA 3.29Å; K30-F34 VanDerWaalsContact O-CB 3.31Å; K30-F34 WeakPolarHBondContact O-CB 3.33Å; K30-F34 PolarHBondContact O-N 3.35Å; K30-G35 PolarHBondContact O-N 2.95Å; K30-W273 HydrophobicContact CB-CZ3 4.44Å; K30-W273 HydrophobicContact CD-CE3 3.97Å; K30-W273 HydrophobicContact CD-CZ3 3.89Å; K30-W273 WeakPolarHBondContact CE-O 3.42Å; K30-W273 PolarHBondContact NZ-O 3.15Å; K30-L274 HydrophobicContact CB-CD2 3.58Å; K30-L274 HydrophobicContact CD-CD2 4.1Å; K30-L274 HydrophobicContact CG-CD2 3.91Å
31	R	69.1	Low	75	Confident	152 Å²	152	77.8 Å²	77.8	57%	0.574	41%	0.405	S	S	*	.	H	α-helix	trans	-68.3	-45.4	-174.4	-162.9	-175.1	80.6	173.3	5.7	112.3	Y27 I28 I29	Y27-R31 WeakPolarHBondContact O-CB 3.29Å; Y27-R31 PolarHBondContact O-N 2.9Å; I28-R31 PolarHBondContact O-N 3.26Å; I28-R31 VanDerWaalsContact O-N 3.14Å; I29-R31 VanDerWaalsContact C-N 3.35Å; I29-R31 PolarHBondContact O-N 3.3Å
32	E	63.7	Low	75.6	Confident	118 Å²	118	80.5 Å²	80.5	55%	0.551	41%	0.413	S	S	*	.	H	α-helix	trans	-78.4	-37.6	-174.9	-67.7	-65.7	146.8	0	0	112.5	I28	I28-E32 HydrophobicContact CG2-CG 4.03Å; I28-E32 WeakPolarHBondContact O-CB 3.49Å; I28-E32 WeakPolarHBondContact O-CG 3.36Å; I28-E32 PolarHBondContact O-N 3.43Å
33	Y	58.4	Low	76.2	Confident	182 Å²	182	80.7 Å²	80.7	71%	0.714	41%	0.407	S	S	*	.	H	α-helix	trans	-111.2	-23.7	-173.3	-61.4	-87	0	0	0	114.3	I29	I29-Y33 HydrophobicContact CG2-CD2 4.33Å; I29-Y33 WeakPolarHBondContact O-CA 3.48Å; I29-Y33 WeakPolarHBondContact O-CB 2.86Å; I29-Y33 PolarHBondContact O-N 3Å
34	F	62.3	Low	77	Confident	51 Å²	51	80.5 Å²	80.5	22%	0.224	40%	0.398	C	S	.	.	S	Bend	trans	-122.2	14.2	-178	-55.2	-86.1	0	0	0	113.2	I29 K30 L251	I29-F34 HydrophobicContact CG2-CD2 3.96Å; I29-F34 HydrophobicContact CG2-CE2 3.62Å; I29-F34 WeakPolarHBondContact O-CD2 3.39Å; K30-F34 HydrophobicContact CG-CB 4.21Å; K30-F34 CarbonylContact O-C 3.57Å; K30-F34 WeakPolarHBondContact O-CA 3.29Å; K30-F34 VanDerWaalsContact O-CB 3.31Å; K30-F34 WeakPolarHBondContact O-CB 3.33Å; K30-F34 PolarHBondContact O-N 3.35Å; F34-L251 HydrophobicContact CD1-CB 4Å; F34-L251 HydrophobicContact CD1-CD2 4.33Å; F34-L251 HydrophobicContact CE1-CB 3.97Å; F34-L251 HydrophobicContact CE1-CD2 3.82Å
35	G	61.8	Low	77.7	Confident	28 Å²	28	79.2 Å²	79.2	29%	0.289	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-56.6	149	173	0	0	0	0	0	109.7	K30 K276	K30-G35 PolarHBondContact O-N 2.95Å; G35-K276 WeakPolarHBondContact O-CE 3.37Å; G35-K276 PolarHBondContact O-NZ 3.09Å
36	H	71.9	Confident	78.2	Confident	97 Å²	97	81.4 Å²	81.4	45%	0.449	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-100.2	125	173.2	58	-102.1	0	0	0	109.3	K276 E280	H36-K276 HydrophobicContact CB-CD 4.41Å; H36-E280 HydrophobicContact CB-CB 3.9Å; H36-E280 HydrophobicContact CB-CG 3.74Å; H36-E280 IonicContact CD2-OE1 2.73Å; H36-E280 IonicContact CE1-OE1 3.23Å; H36-E280 PolarHBondContact CE1-OE1 3.48Å; H36-E280 IonicContact CG-OE1 2.79Å; H36-E280 IonicContact ND1-OE1 3.2Å; H36-E280 PolarHBondContact ND1-OE1 3.44Å; H36-E280 IonicContact NE2-OE1 3.83Å
37	C	81.4	Confident	79	Confident	43 Å²	43	82.7 Å²	82.7	29%	0.291	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-84.3	133	159.7	-173.8	0	0	0	0	109	Q283 E302 C303	C37-Q283 WeakPolarHBondContact O-CB 3.38Å; C37-Q283 WeakPolarHBondContact O-CG 3.13Å; C37-E302 HydrophobicContact CB-CB 4.01Å; C37-E302 PolarHBondContact N-OE2 2.96Å; C37-C303 HydrophobicContact CB-CB 4.31Å; C37-C303 VanDerWaalsContact SG-CB 3.53Å; C37-C303 VanDerWaalsContact SG-SG 3.6Å
38	E	84.9	Confident	80.1	Confident	82 Å²	82	77 Å²	77	38%	0.383	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-92.4	142.4	164.7	-65	-164.5	147.2	0	0	109.6	T40 R279	E38-T40 PolarHBondContact O-N 2.73Å; E38-R279 IonicContact OE1-CZ 2.84Å; E38-R279 IonicContact OE1-NH1 3.46Å; E38-R279 PolarHBondContact OE1-NH1 2.94Å; E38-R279 IonicContact OE1-NH2 3.67Å
39	C	88.1	Confident	81.2	Confident	4 Å²	4	73.3 Å²	73.3	3%	0.027	37%	0.374	C	S	.	.			trans	-71.4	112.4	173.9	176.5	0	0	0	0	109.2	V286 F287	C39-V286 HydrophobicContact CB-CG1 4.27Å; C39-F287 HydrophobicContact CB-CB 4.23Å
40	T	89.3	Confident	82.4	Confident	124 Å²	124	70 Å²	70	76%	0.761	36%	0.357	S	S	*	.			trans	-90.2	-0.1	179.9	60.8	0	0	0	0	113.6	E38	E38-T40 PolarHBondContact O-N 2.73Å
41	L	91.8	Very high	83.8	Confident	38 Å²	38	66.5 Å²	66.5	20%	0.199	34%	0.342	C	S	.	.			trans	-67.9	138.9	178.8	-61.2	177.2	0	0	0	110.3	R70 F287 L290 D291	L41-R70 PolarHBondContact O-NH1 3.17Å; L41-R70 PolarHBondContact O-NH2 3.5Å; L41-F287 HydrophobicContact CD1-CD2 3.74Å; L41-F287 HydrophobicContact CD1-CE2 3.86Å; L41-F287 HydrophobicContact CD1-CG 4.49Å; L41-F287 HydrophobicContact CG-CD2 4.18Å; L41-F287 HydrophobicContact CG-CE2 4.29Å; L41-L290 HydrophobicContact CB-CB 4.22Å; L41-L290 HydrophobicContact CB-CD1 4.23Å; L41-L290 HydrophobicContact CD1-CB 3.8Å; L41-D291 HydrophobicContact CD1-CB 3.77Å
42	E	89.6	Confident	85.2	Confident	143 Å²	143	59.2 Å²	59.2	67%	0.668	32%	0.315	S	S	*	.			trans	-102.4	-0.1	-178.6	-63	-172.9	170	0	0	113	V102	E42-V102 HydrophobicContact CB-CG1 3.87Å; E42-V102 HydrophobicContact CG-CG1 3.9Å; E42-V102 HydrophobicContact CG-CG2 4.24Å
43	D	91.2	Very high	86.9	Confident	52 Å²	52	53.6 Å²	53.6	28%	0.278	29%	0.288	S	S	.	.			trans	-53.7	141.5	-178.9	-62.7	-98.8	0	0	0	112.6	R70 L290 K292	D43-R70 PolarHBondContact O-NH1 3.1Å; D43-L290 HydrophobicContact CB-CB 4.36Å; D43-L290 HydrophobicContact CB-CD2 4.18Å; D43-L290 WeakPolarHBondContact O-CD2 3.44Å; D43-K292 WeakPolarHBondContact OD1-CE 3.35Å; D43-K292 IonicContact OD1-NZ 3.7Å
44	R	91.9	Very high	88.7	Confident	76 Å²	76	46 Å²	46	29%	0.287	27%	0.266	S	S	.	.			trans	-101.9	157.1	175.6	-65.3	-151.4	54.2	89.7	1.1	111.7	D46 H69 R70 L103 V105	R44-D46 WeakPolarHBondContact CB-OD2 3.37Å; R44-D46 WeakPolarHBondContact CD-OD2 3.14Å; R44-D46 IonicContact CZ-OD1 3.36Å; R44-D46 IonicContact CZ-OD2 3.71Å; R44-D46 IonicContact NE-OD1 3.03Å; R44-D46 PolarHBondContact NE-OD1 2.82Å; R44-D46 VanDerWaalsContact NE-OD1 3.17Å; R44-D46 IonicContact NE-OD2 2.67Å; R44-D46 PolarHBondContact NE-OD2 3.37Å; R44-D46 IonicContact NH2-OD1 3.18Å; R44-D46 PolarHBondContact NH2-OD1 3.17Å; R44-H69 PolarHBondContact NH1-O 2.79Å; R44-H69 PolarHBondContact NH2-O 3.33Å; R44-R70 VanDerWaalsContact CZ-O 3.24Å; R44-R70 PolarHBondContact NH2-O 3.39Å; R44-L103 PolarHBondContact NH1-O 3.16Å; R44-V105 VanDerWaalsContact NH2-CG2 3.33Å
45	L	93.3	Very high	90.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	26%	0.255	C	S	.	.			trans	-120.1	22.8	-177.8	-63.1	174.9	0	0	0	111.2	G47 K48 L67 R70 G71 A72 I141 L290	L45-G47 PolarHBondContact O-N 3.13Å; L45-K48 HydrophobicContact CB-CB 4.4Å; L45-K48 HydrophobicContact CD2-CD 3.85Å; L45-K48 WeakPolarHBondContact O-CB 3.28Å; L45-K48 PolarHBondContact O-N 2.8Å; L45-L67 HydrophobicContact CD1-CB 4.2Å; L45-L67 HydrophobicContact CD1-CD2 3.49Å; L45-L67 VanDerWaalsContact CD1-CD2 3.49Å; L45-L67 HydrophobicContact CD1-CG 4.4Å; L45-R70 PolarHBondContact N-O 2.84Å; L45-G71 CarbonylContact O-C 3.59Å; L45-A72 HydrophobicContact CB-CB 3.73Å; L45-A72 HydrophobicContact CD1-CB 3.96Å; L45-I141 HydrophobicContact CD1-CD1 4.41Å; L45-I141 HydrophobicContact CD2-CD1 3.82Å; L45-L290 HydrophobicContact CD1-CD2 3.91Å; L45-L290 HydrophobicContact CD2-CD2 3.99Å; L45-L290 HydrophobicContact CG-CD2 3.81Å
46	D	92.2	Very high	91.9	Very high	92 Å²	92	44.2 Å²	44.2	49%	0.492	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	132	177.9	-53.9	-53.5	0	0	0	109.8	R44 K48 G71	R44-D46 WeakPolarHBondContact CB-OD2 3.37Å; R44-D46 WeakPolarHBondContact CD-OD2 3.14Å; R44-D46 IonicContact CZ-OD1 3.36Å; R44-D46 IonicContact CZ-OD2 3.71Å; R44-D46 IonicContact NE-OD1 3.03Å; R44-D46 PolarHBondContact NE-OD1 2.82Å; R44-D46 VanDerWaalsContact NE-OD1 3.17Å; R44-D46 IonicContact NE-OD2 2.67Å; R44-D46 PolarHBondContact NE-OD2 3.37Å; R44-D46 IonicContact NH2-OD1 3.18Å; R44-D46 PolarHBondContact NH2-OD1 3.17Å; D46-K48 PolarHBondContact O-N 3.08Å; D46-G71 WeakPolarHBondContact OD1-CA 3.5Å
47	G	91.3	Very high	93	Very high	79 Å²	79	41.9 Å²	41.9	81%	0.814	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	-6	-176.7	0	0	0	0	0	115.6	L45	L45-G47 PolarHBondContact O-N 3.13Å
48	K	94.3	Very high	93.5	Very high	17 Å²	17	40.4 Å²	40.4	7%	0.074	24%	0.237	C	C	.	.			trans	-92.9	130.9	179.1	-63.4	-177.4	-179.3	170.8	0	111.2	L45 D46 A72 R73 P140 E188	L45-K48 HydrophobicContact CB-CB 4.4Å; L45-K48 HydrophobicContact CD2-CD 3.85Å; L45-K48 WeakPolarHBondContact O-CB 3.28Å; L45-K48 PolarHBondContact O-N 2.8Å; D46-K48 PolarHBondContact O-N 3.08Å; K48-A72 WeakPolarHBondContact O-CA 3.4Å; K48-R73 PolarHBondContact O-N 3.49Å; K48-P140 HydrophobicContact CB-CG 3.78Å; K48-P140 HydrophobicContact CD-CG 4.37Å; K48-P140 HydrophobicContact CG-CG 4.01Å; K48-E188 IonicContact NZ-OE1 3.2Å; K48-E188 IonicContact NZ-OE2 3.14Å; K48-E188 PolarHBondContact NZ-OE2 2.85Å
49	T	96.3	Very high	93.9	Very high	16 Å²	16	37.3 Å²	37.3	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.6	170.7	-65.4	0	0	0	0	110.3	R73 I75 P140	T49-R73 CarbonylContact C-O 3.51Å; T49-R73 VanDerWaalsContact CA-O 3.29Å; T49-R73 WeakPolarHBondContact CA-O 3.34Å; T49-R73 PolarHBondContact OG1-NH1 3.21Å; T49-I75 HydrophobicContact CG2-CD1 3.8Å; T49-I75 HydrophobicContact CG2-CG1 4.09Å; T49-P140 VanDerWaalsContact O-CD 3.24Å; T49-P140 WeakPolarHBondContact O-CD 3.33Å
50	V	98.1	Very high	94.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.2	-178.4	-175.4	0	0	0	0	110.1	V52 L67 A72 R73 V74 I75 I141 I143	V50-V52 HydrophobicContact CG1-CG2 4.13Å; V50-L67 HydrophobicContact CG1-CD1 4.04Å; V50-A72 HydrophobicContact CG2-CB 3.79Å; V50-R73 PolarHBondContact N-O 3.29Å; V50-V74 CarbonylContact O-C 3.53Å; V50-V74 WeakPolarHBondContact O-CA 3.24Å; V50-I75 PolarHBondContact O-N 3.4Å; V50-I141 WeakPolarHBondContact CA-O 3.08Å; V50-I141 HydrophobicContact CB-CB 4.36Å; V50-I141 HydrophobicContact CG1-CB 3.88Å; V50-I141 HydrophobicContact CG1-CG2 3.87Å; V50-I141 HydrophobicContact CG2-CB 3.95Å; V50-I141 HydrophobicContact CG2-CD1 4.09Å; V50-I141 HydrophobicContact CG2-CG1 4.36Å; V50-I143 HydrophobicContact CG1-CD1 4.14Å; V50-I143 HydrophobicContact CG1-CG1 4.22Å
51	I	98.8	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.7	168.9	-67.4	174	0	0	0	109.2	I75 A77 F128 I132 I139 I141 L142 I143 L178	I51-I75 HydrophobicContact CG1-CB 3.93Å; I51-I75 HydrophobicContact CG1-CD1 4.15Å; I51-I75 HydrophobicContact CG1-CG1 4.5Å; I51-I75 HydrophobicContact CG1-CG2 4.28Å; I51-A77 HydrophobicContact CG2-CB 4.27Å; I51-F128 HydrophobicContact CD1-CE1 4.31Å; I51-F128 HydrophobicContact CD1-CZ 4.21Å; I51-F128 HydrophobicContact CG2-CZ 4.17Å; I51-I132 HydrophobicContact CD1-CG1 4.29Å; I51-I132 HydrophobicContact CD1-CG2 3.96Å; I51-I139 HydrophobicContact CD1-CD1 3.53Å; I51-I139 HydrophobicContact CD1-CG2 4.11Å; I51-I139 HydrophobicContact CG1-CD1 4.41Å; I51-I139 HydrophobicContact CG1-CG2 4.1Å; I51-I141 PolarHBondContact N-O 3.27Å; I51-L142 HydrophobicContact CB-CD1 3.77Å; I51-L142 HydrophobicContact CG2-CD1 3.67Å; I51-I143 PolarHBondContact O-N 2.9Å; I51-L178 HydrophobicContact CD1-CD1 3.81Å
52	V	98.9	Very high	94.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.2	171	-169.7	0	0	0	0	109.4	V50 C55 V64 L67 V74 I75 A77 I143 N145	V50-V52 HydrophobicContact CG1-CG2 4.13Å; V52-C55 HydrophobicContact CB-CB 4.15Å; V52-C55 HydrophobicContact CG1-CB 3.78Å; V52-C55 PolarHBondContact O-SG 2.89Å; V52-V64 HydrophobicContact CB-CG2 3.97Å; V52-V64 HydrophobicContact CG1-CG2 4.23Å; V52-V64 HydrophobicContact CG2-CG2 4.01Å; V52-L67 HydrophobicContact CG2-CD1 4.36Å; V52-V74 HydrophobicContact CG2-CG1 3.85Å; V52-I75 PolarHBondContact N-O 2.92Å; V52-A77 PolarHBondContact O-N 2.9Å; V52-I143 HydrophobicContact CB-CB 4.49Å; V52-I143 HydrophobicContact CG1-CB 4.27Å; V52-I143 HydrophobicContact CG1-CG2 4.33Å; V52-I143 HydrophobicContact CG2-CB 4.24Å; V52-I143 HydrophobicContact CG2-CD1 4.1Å; V52-I143 HydrophobicContact CG2-CG1 4.4Å; V52-N145 HydrophobicContact CG1-CB 4.17Å
53	T	98.8	Very high	95.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	141.1	176.8	68.6	0	0	0	0	111.3	A77 L117 I143 N145 A146 H171 L174	T53-A77 CarbonylContact C-O 3.58Å; T53-A77 WeakPolarHBondContact CA-O 3.29Å; T53-L117 HydrophobicContact CG2-CD2 3.75Å; T53-I143 PolarHBondContact N-O 3.41Å; T53-I143 PolarHBondContact OG1-O 3.47Å; T53-N145 WeakPolarHBondContact O-CB 3.5Å; T53-N145 PolarHBondContact O-ND2 3.28Å; T53-N145 PolarHBondContact OG1-N 2.88Å; T53-A146 PolarHBondContact O-N 2.99Å; T53-A146 VanDerWaalsContact O-N 3.15Å; T53-A146 WeakPolarHBondContact OG1-CB 3.27Å; T53-A146 PolarHBondContact OG1-N 3.29Å; T53-H171 PolarHBondContact OG1-NE2 2.98Å; T53-L174 HydrophobicContact CG2-CD2 3.72Å
54	G	97	Very high	95.4	Very high	23 Å²	23	21.8 Å²	21.8	24%	0.237	14%	0.139	C	C	.	.	S	Bend	trans	63.2	44.9	173.2	0	0	0	0	0	113.9	A77 N145	G54-A77 PolarHBondContact N-O 3.47Å; G54-N145 PolarHBondContact O-ND2 3.01Å; G54-N145 VanDerWaalsContact O-ND2 3.08Å
55	C	97.1	Very high	95.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.13	C	C	.	.			trans	-104.9	15.9	-171.9	62.7	0	0	0	0	115.1	V52 T57 G60 L61 V64 M76 C78	V52-C55 HydrophobicContact CB-CB 4.15Å; V52-C55 HydrophobicContact CG1-CB 3.78Å; V52-C55 PolarHBondContact O-SG 2.89Å; C55-T57 VanDerWaalsContact C-N 3.26Å; C55-T57 PolarHBondContact O-N 3.34Å; C55-G60 WeakPolarHBondContact CB-O 3.47Å; C55-L61 VanDerWaalsContact O-CA 3.32Å; C55-L61 WeakPolarHBondContact O-CA 3.46Å; C55-L61 PolarHBondContact O-N 2.9Å; C55-V64 HydrophobicContact CB-CG2 3.5Å; C55-M76 WeakPolarHBondContact SG-CA 3.37Å; C55-M76 WeakPolarHBondContact SG-CB 3.31Å; C55-C78 PolarHBondContact N-SG 3.44Å; C55-C78 VanDerWaalsContact N-SG 3.44Å; C55-C78 VanDerWaalsContact SG-SG 3.7Å
56	N	95	Very high	95.6	Very high	41 Å²	41	19.4 Å²	19.4	22%	0.219	13%	0.131	C	C	.	.	S	Bend	trans	-78.5	-8.3	176.5	70.5	-62.1	0	0	0	113.5	C78 K83 A87	N56-C78 PolarHBondContact N-SG 3.03Å; N56-C78 VanDerWaalsContact N-SG 3.44Å; N56-K83 HydrophobicContact CB-CB 4.41Å; N56-A87 HydrophobicContact CB-CB 4.14Å
57	T	93.5	Very high	95.7	Very high	47 Å²	47	15 Å²	15	29%	0.288	11%	0.108	S	C	.	.	S	Bend	trans	-153	168.5	175.1	85.9	0	0	0	0	110.9	C55 L61 S255	C55-T57 VanDerWaalsContact C-N 3.26Å; C55-T57 PolarHBondContact O-N 3.34Å; T57-L61 PolarHBondContact O-N 2.81Å; T57-S255 PolarHBondContact OG1-OG 3.29Å
58	G	91.9	Very high	95.9	Very high	13 Å²	13	11.2 Å²	11.2	13%	0.134	7%	0.069	C	C	.	.	H	α-helix	trans	65.8	-143.5	161.1	0	0	0	0	0	113.5	G60 L61 E62 S278	G58-G60 VanDerWaalsContact C-N 3.28Å; G58-G60 PolarHBondContact O-N 3.26Å; G58-L61 PolarHBondContact O-N 3.35Å; G58-E62 PolarHBondContact O-N 3.41Å; G58-S278 WeakPolarHBondContact CA-OG 3.4Å
59	I	94.2	Very high	95.8	Very high	17 Å²	17	11.1 Å²	11.1	9%	0.087	7%	0.069	C	C	.	.	H	α-helix	trans	-57	-42.2	-177.6	-62.7	158.4	0	0	0	111.4	L61 E62 T63 P249 V252 T254 A282	I59-L61 VanDerWaalsContact C-N 3.34Å; I59-L61 PolarHBondContact O-N 3.06Å; I59-E62 PolarHBondContact O-N 3.48Å; I59-T63 WeakPolarHBondContact O-CB 3.36Å; I59-T63 PolarHBondContact O-N 2.87Å; I59-T63 PolarHBondContact O-OG1 3.48Å; I59-P249 HydrophobicContact CD1-CB 3.68Å; I59-P249 HydrophobicContact CD1-CG 3.7Å; I59-P249 HydrophobicContact CG1-CB 4.47Å; I59-V252 HydrophobicContact CD1-CB 3.94Å; I59-V252 HydrophobicContact CD1-CG1 4.17Å; I59-V252 HydrophobicContact CD1-CG2 3.82Å; I59-V252 HydrophobicContact CG1-CB 4.17Å; I59-V252 HydrophobicContact CG1-CG1 3.83Å; I59-V252 HydrophobicContact CG1-CG2 4.12Å; I59-T254 HydrophobicContact CD1-CG2 3.94Å; I59-T254 HydrophobicContact CG1-CG2 3.86Å; I59-A282 HydrophobicContact CG2-CB 4.27Å
60	G	96.8	Very high	95.6	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-63.7	-39.5	-179.3	0	0	0	0	0	112.4	C55 G58 T63 V64 N145	C55-G60 WeakPolarHBondContact CB-O 3.47Å; G58-G60 VanDerWaalsContact C-N 3.28Å; G58-G60 PolarHBondContact O-N 3.26Å; G60-T63 WeakPolarHBondContact O-CB 3.35Å; G60-T63 PolarHBondContact O-N 3.07Å; G60-V64 WeakPolarHBondContact O-CG2 3.26Å; G60-V64 PolarHBondContact O-N 2.76Å; G60-N145 WeakPolarHBondContact CA-ND2 3.23Å
61	L	96.4	Very high	95.4	Very high	7 Å²	7	11.3 Å²	11.3	4%	0.037	7%	0.071	C	C	.	.	H	α-helix	trans	-63.7	-46.4	177.3	-176	62.9	0	0	0	111.7	C55 T57 G58 I59 T63 V64 N65 A87 L91	C55-L61 VanDerWaalsContact O-CA 3.32Å; C55-L61 WeakPolarHBondContact O-CA 3.46Å; C55-L61 PolarHBondContact O-N 2.9Å; T57-L61 PolarHBondContact O-N 2.81Å; G58-L61 PolarHBondContact O-N 3.35Å; I59-L61 VanDerWaalsContact C-N 3.34Å; I59-L61 PolarHBondContact O-N 3.06Å; L61-T63 VanDerWaalsContact C-N 3.3Å; L61-T63 PolarHBondContact O-N 2.79Å; L61-V64 PolarHBondContact O-N 3.02Å; L61-N65 PolarHBondContact O-N 3.03Å; L61-A87 HydrophobicContact CD1-CB 3.89Å; L61-L91 HydrophobicContact CD1-CD1 3.83Å; L61-L91 HydrophobicContact CD1-CD2 3.86Å; L61-L91 HydrophobicContact CD1-CG 3.76Å; L61-L91 HydrophobicContact CG-CD2 4.27Å
62	E	95	Very high	95.2	Very high	27 Å²	27	11.3 Å²	11.3	13%	0.126	7%	0.071	C	C	.	.	H	α-helix	trans	-69.8	-29.3	178.1	-58.9	-57.5	148.7	0	0	112.2	G58 I59 N65 E66 R94 R279 A282	G58-E62 PolarHBondContact O-N 3.41Å; I59-E62 PolarHBondContact O-N 3.48Å; E62-N65 WeakPolarHBondContact O-CB 3.48Å; E62-N65 PolarHBondContact O-N 2.98Å; E62-E66 PolarHBondContact O-N 2.77Å; E62-E66 VanDerWaalsContact O-N 3.1Å; E62-R94 VanDerWaalsContact CD-NH1 3.28Å; E62-R94 IonicContact OE1-CZ 3.62Å; E62-R94 IonicContact OE1-NH1 3.72Å; E62-R94 PolarHBondContact OE1-NH1 2.94Å; E62-R94 IonicContact OE1-NH2 3.47Å; E62-R94 PolarHBondContact OE1-NH2 2.82Å; E62-R94 IonicContact OE2-NH1 2.7Å; E62-R94 PolarHBondContact OE2-NH1 2.65Å; E62-R279 HydrophobicContact CG-CB 4.31Å; E62-A282 HydrophobicContact CB-CB 3.93Å
63	T	96.2	Very high	95.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.8	-47.2	170.9	-57	0	0	0	0	110.3	I59 G60 L61 N65 E66 L67 I143 A282 T285	I59-T63 WeakPolarHBondContact O-CB 3.36Å; I59-T63 PolarHBondContact O-N 2.87Å; I59-T63 PolarHBondContact O-OG1 3.48Å; G60-T63 WeakPolarHBondContact O-CB 3.35Å; G60-T63 PolarHBondContact O-N 3.07Å; L61-T63 VanDerWaalsContact C-N 3.3Å; L61-T63 PolarHBondContact O-N 2.79Å; T63-N65 VanDerWaalsContact C-N 3.33Å; T63-N65 PolarHBondContact O-N 2.97Å; T63-E66 PolarHBondContact O-N 3.01Å; T63-L67 HydrophobicContact CG2-CD1 3.7Å; T63-L67 HydrophobicContact CG2-CG 4.31Å; T63-L67 WeakPolarHBondContact O-CG 3.45Å; T63-L67 PolarHBondContact O-N 3.36Å; T63-L67 VanDerWaalsContact O-N 3.08Å; T63-I143 HydrophobicContact CG2-CD1 3.81Å; T63-A282 WeakPolarHBondContact OG1-CB 3.24Å; T63-T285 HydrophobicContact CG2-CG2 3.8Å
64	V	97.2	Very high	95.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-45.5	175.1	174.8	0	0	0	0	110.5	V52 C55 G60 L61 E66 L67 A68 V74 M76 L91 L112	V52-V64 HydrophobicContact CB-CG2 3.97Å; V52-V64 HydrophobicContact CG1-CG2 4.23Å; V52-V64 HydrophobicContact CG2-CG2 4.01Å; C55-V64 HydrophobicContact CB-CG2 3.5Å; G60-V64 WeakPolarHBondContact O-CG2 3.26Å; G60-V64 PolarHBondContact O-N 2.76Å; L61-V64 PolarHBondContact O-N 3.02Å; V64-E66 VanDerWaalsContact C-N 3.33Å; V64-E66 PolarHBondContact O-N 3.17Å; V64-L67 PolarHBondContact O-N 2.84Å; V64-A68 WeakPolarHBondContact O-CB 3.46Å; V64-A68 PolarHBondContact O-N 3.1Å; V64-V74 HydrophobicContact CB-CG1 4.38Å; V64-V74 HydrophobicContact CG1-CB 4.17Å; V64-V74 HydrophobicContact CG1-CG1 3.92Å; V64-V74 HydrophobicContact CG1-CG2 4.44Å; V64-V74 HydrophobicContact CG2-CG1 3.9Å; V64-M76 HydrophobicContact CG1-CE 4.35Å; V64-M76 HydrophobicContact CG1-CG 4.09Å; V64-M76 HydrophobicContact CG1-SD 4.15Å; V64-M76 HydrophobicContact CG2-CG 4.28Å; V64-L91 HydrophobicContact CB-CD1 4.13Å; V64-L91 HydrophobicContact CG1-CD1 3.49Å; V64-L91 VanDerWaalsContact CG1-CD1 3.49Å; V64-L112 HydrophobicContact CG1-CD2 3.77Å
65	N	94.6	Very high	95.1	Very high	19 Å²	19	13.9 Å²	13.9	10%	0.102	7%	0.074	C	C	.	.	H	α-helix	trans	-51	-52.6	177.7	-173.5	79.1	0	0	0	111.5	L61 E62 T63 H69 L91	L61-N65 PolarHBondContact O-N 3.03Å; E62-N65 WeakPolarHBondContact O-CB 3.48Å; E62-N65 PolarHBondContact O-N 2.98Å; T63-N65 VanDerWaalsContact C-N 3.33Å; T63-N65 PolarHBondContact O-N 2.97Å; N65-H69 PolarHBondContact O-N 3.09Å; N65-H69 PolarHBondContact O-ND1 3.35Å; N65-H69 PolarHBondContact OD1-CE1 2.9Å; N65-L91 HydrophobicContact CB-CD2 3.66Å
66	E	93.8	Very high	95.2	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.037	7%	0.074	C	C	.	.	H	α-helix	trans	-74	-38.3	-172.9	-137.6	65	170	0	0	112.9	E62 T63 V64 A68 R70 S101 V286	E62-E66 PolarHBondContact O-N 2.77Å; E62-E66 VanDerWaalsContact O-N 3.1Å; T63-E66 PolarHBondContact O-N 3.01Å; V64-E66 VanDerWaalsContact C-N 3.33Å; V64-E66 PolarHBondContact O-N 3.17Å; E66-A68 VanDerWaalsContact C-N 3.34Å; E66-R70 WeakPolarHBondContact O-CB 3.44Å; E66-R70 WeakPolarHBondContact O-CD 3.5Å; E66-R70 VanDerWaalsContact O-CG 3.24Å; E66-R70 WeakPolarHBondContact O-CG 3.42Å; E66-R70 PolarHBondContact O-N 2.98Å; E66-S101 PolarHBondContact OE1-OG 3.24Å; E66-V286 HydrophobicContact CB-CG1 4.45Å; E66-V286 HydrophobicContact CB-CG2 3.9Å; E66-V286 HydrophobicContact CG-CG1 4.37Å; E66-V286 HydrophobicContact CG-CG2 4.45Å
67	L	95.4	Very high	95.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.6	-38.6	177	-61.6	174.5	0	0	0	111.4	L45 V50 V52 T63 V64 R70 G71 A72 V74 I143 A289	L45-L67 HydrophobicContact CD1-CB 4.2Å; L45-L67 HydrophobicContact CD1-CD2 3.49Å; L45-L67 VanDerWaalsContact CD1-CD2 3.49Å; L45-L67 HydrophobicContact CD1-CG 4.4Å; V50-L67 HydrophobicContact CG1-CD1 4.04Å; V52-L67 HydrophobicContact CG2-CD1 4.36Å; T63-L67 HydrophobicContact CG2-CD1 3.7Å; T63-L67 HydrophobicContact CG2-CG 4.31Å; T63-L67 WeakPolarHBondContact O-CG 3.45Å; T63-L67 PolarHBondContact O-N 3.36Å; T63-L67 VanDerWaalsContact O-N 3.08Å; V64-L67 PolarHBondContact O-N 2.84Å; L67-R70 CarbonylContact O-C 3.53Å; L67-R70 WeakPolarHBondContact O-CA 3.38Å; L67-R70 WeakPolarHBondContact O-CB 3.48Å; L67-R70 PolarHBondContact O-N 2.77Å; L67-G71 PolarHBondContact O-N 2.8Å; L67-A72 HydrophobicContact CB-CB 4.19Å; L67-A72 VanDerWaalsContact O-CB 3.25Å; L67-A72 WeakPolarHBondContact O-CB 3.36Å; L67-A72 PolarHBondContact O-N 2.77Å; L67-A72 VanDerWaalsContact O-N 3.09Å; L67-V74 HydrophobicContact CB-CG2 4.4Å; L67-I143 HydrophobicContact CD1-CD1 3.51Å; L67-A289 HydrophobicContact CD2-CB 3.64Å
68	A	95	Very high	95.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-68.3	-43.1	179	0	0	0	0	0	111.3	V64 E66 R70 G71 V74 L107 Q111 L112	V64-A68 WeakPolarHBondContact O-CB 3.46Å; V64-A68 PolarHBondContact O-N 3.1Å; E66-A68 VanDerWaalsContact C-N 3.34Å; A68-R70 PolarHBondContact O-N 3.05Å; A68-R70 VanDerWaalsContact O-N 3.15Å; A68-G71 WeakPolarHBondContact O-CA 3.42Å; A68-G71 PolarHBondContact O-N 2.98Å; A68-V74 HydrophobicContact CB-CG2 4.08Å; A68-L107 VanDerWaalsContact C-CD2 3.4Å; A68-L107 HydrophobicContact CB-CD1 4.48Å; A68-L107 HydrophobicContact CB-CD2 3.41Å; A68-L107 VanDerWaalsContact CB-CD2 3.41Å; A68-Q111 VanDerWaalsContact CB-NE2 3.33Å; A68-Q111 PolarHBondContact O-NE2 3.33Å; A68-L112 HydrophobicContact CB-CD2 3.83Å
69	H	92.2	Very high	95.9	Very high	15 Å²	15	16.5 Å²	16.5	7%	0.069	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-22.2	173.9	-74.6	97.7	0	0	0	112.9	R44 N65 G71 V105	R44-H69 PolarHBondContact NH1-O 2.79Å; R44-H69 PolarHBondContact NH2-O 3.33Å; N65-H69 PolarHBondContact O-N 3.09Å; N65-H69 PolarHBondContact O-ND1 3.35Å; N65-H69 PolarHBondContact OD1-CE1 2.9Å; H69-G71 VanDerWaalsContact C-N 3.28Å; H69-V105 PolarHBondContact CD2-O 3.09Å; H69-V105 VanDerWaalsContact CD2-O 3.3Å; H69-V105 PolarHBondContact O-N 2.99Å
70	R	92.5	Very high	96	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.026	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	5.8	169.9	-68.5	170.5	-178	-91.9	4.7	114.2	L41 D43 R44 L45 E66 L67 A68 L290	L41-R70 PolarHBondContact O-NH1 3.17Å; L41-R70 PolarHBondContact O-NH2 3.5Å; D43-R70 PolarHBondContact O-NH1 3.1Å; R44-R70 VanDerWaalsContact CZ-O 3.24Å; R44-R70 PolarHBondContact NH2-O 3.39Å; L45-R70 PolarHBondContact N-O 2.84Å; E66-R70 WeakPolarHBondContact O-CB 3.44Å; E66-R70 WeakPolarHBondContact O-CD 3.5Å; E66-R70 VanDerWaalsContact O-CG 3.24Å; E66-R70 WeakPolarHBondContact O-CG 3.42Å; E66-R70 PolarHBondContact O-N 2.98Å; L67-R70 CarbonylContact O-C 3.53Å; L67-R70 WeakPolarHBondContact O-CA 3.38Å; L67-R70 WeakPolarHBondContact O-CB 3.48Å; L67-R70 PolarHBondContact O-N 2.77Å; A68-R70 PolarHBondContact O-N 3.05Å; A68-R70 VanDerWaalsContact O-N 3.15Å; R70-L290 VanDerWaalsContact NH1-CD1 3.34Å
71	G	92.5	Very high	96	Very high	12 Å²	12	21.9 Å²	21.9	12%	0.124	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	3.9	169	0	0	0	0	0	115.2	L45 D46 L67 A68 H69	L45-G71 CarbonylContact O-C 3.59Å; D46-G71 WeakPolarHBondContact OD1-CA 3.5Å; L67-G71 PolarHBondContact O-N 2.8Å; A68-G71 WeakPolarHBondContact O-CA 3.42Å; A68-G71 PolarHBondContact O-N 2.98Å; H69-G71 VanDerWaalsContact C-N 3.28Å
72	A	95	Very high	96.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.127	C	C	.	.			trans	-67.4	136.4	176	0	0	0	0	0	110.8	L45 K48 V50 L67 V74 Q111	L45-A72 HydrophobicContact CB-CB 3.73Å; L45-A72 HydrophobicContact CD1-CB 3.96Å; K48-A72 WeakPolarHBondContact O-CA 3.4Å; V50-A72 HydrophobicContact CG2-CB 3.79Å; L67-A72 HydrophobicContact CB-CB 4.19Å; L67-A72 VanDerWaalsContact O-CB 3.25Å; L67-A72 WeakPolarHBondContact O-CB 3.36Å; L67-A72 PolarHBondContact O-N 2.77Å; L67-A72 VanDerWaalsContact O-N 3.09Å; A72-V74 HydrophobicContact CB-CG2 3.97Å; A72-V74 WeakPolarHBondContact O-CG2 3.47Å; A72-V74 PolarHBondContact O-N 3.28Å; A72-Q111 VanDerWaalsContact O-CD 3.31Å; A72-Q111 WeakPolarHBondContact O-CG 3.32Å; A72-Q111 PolarHBondContact O-NE2 2.91Å
73	R	96.7	Very high	96.3	Very high	75 Å²	75	32.2 Å²	32.2	28%	0.283	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.6	160.3	178.5	172.9	163.7	-91.1	3.4	108.5	K48 T49 V50 Q111 I113 E136	K48-R73 PolarHBondContact O-N 3.49Å; T49-R73 CarbonylContact C-O 3.51Å; T49-R73 VanDerWaalsContact CA-O 3.29Å; T49-R73 WeakPolarHBondContact CA-O 3.34Å; T49-R73 PolarHBondContact OG1-NH1 3.21Å; V50-R73 PolarHBondContact N-O 3.29Å; R73-Q111 CarbonylContact C-O 3.56Å; R73-Q111 WeakPolarHBondContact CA-O 3.44Å; R73-I113 HydrophobicContact CG-CD1 4.18Å; R73-E136 IonicContact CZ-OE1 3.55Å; R73-E136 IonicContact CZ-OE2 2.94Å; R73-E136 IonicContact NH1-OE1 3.37Å; R73-E136 PolarHBondContact NH1-OE1 3.2Å; R73-E136 IonicContact NH1-OE2 3.86Å; R73-E136 PolarHBondContact NH1-OE2 2.74Å; R73-E136 IonicContact NH2-OE1 2.82Å; R73-E136 PolarHBondContact NH2-OE1 3.1Å; R73-E136 IonicContact NH2-OE2 3.18Å
74	V	98.3	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.1	-171.2	-167.4	0	0	0	0	111.6	V50 V52 V64 L67 A68 A72 M76 Q111 L112 I113	V50-V74 CarbonylContact O-C 3.53Å; V50-V74 WeakPolarHBondContact O-CA 3.24Å; V52-V74 HydrophobicContact CG2-CG1 3.85Å; V64-V74 HydrophobicContact CB-CG1 4.38Å; V64-V74 HydrophobicContact CG1-CB 4.17Å; V64-V74 HydrophobicContact CG1-CG1 3.92Å; V64-V74 HydrophobicContact CG1-CG2 4.44Å; V64-V74 HydrophobicContact CG2-CG1 3.9Å; L67-V74 HydrophobicContact CB-CG2 4.4Å; A68-V74 HydrophobicContact CB-CG2 4.08Å; A72-V74 HydrophobicContact CB-CG2 3.97Å; A72-V74 WeakPolarHBondContact O-CG2 3.47Å; A72-V74 PolarHBondContact O-N 3.28Å; V74-M76 HydrophobicContact CG1-CG 4.5Å; V74-M76 PolarHBondContact O-N 3.28Å; V74-Q111 PolarHBondContact N-O 3.24Å; V74-L112 HydrophobicContact CB-CD2 4.03Å; V74-L112 HydrophobicContact CG2-CD2 4.37Å; V74-I113 PolarHBondContact O-N 3.35Å
75	I	98.8	Very high	96.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	106	168.8	-58.2	178.5	0	0	0	107.8	T49 V50 I51 V52 A77 I113 E115 F128 I132 E136	T49-I75 HydrophobicContact CG2-CD1 3.8Å; T49-I75 HydrophobicContact CG2-CG1 4.09Å; V50-I75 PolarHBondContact O-N 3.4Å; I51-I75 HydrophobicContact CG1-CB 3.93Å; I51-I75 HydrophobicContact CG1-CD1 4.15Å; I51-I75 HydrophobicContact CG1-CG1 4.5Å; I51-I75 HydrophobicContact CG1-CG2 4.28Å; V52-I75 PolarHBondContact N-O 2.92Å; I75-A77 PolarHBondContact O-N 2.99Å; I75-I113 CarbonylContact C-O 3.6Å; I75-I113 WeakPolarHBondContact CA-O 3.49Å; I75-I113 HydrophobicContact CG1-CB 4.44Å; I75-E115 HydrophobicContact CG2-CB 4.12Å; I75-E115 HydrophobicContact CG2-CG 3.96Å; I75-F128 HydrophobicContact CG2-CE2 4.43Å; I75-F128 HydrophobicContact CG2-CZ 4.41Å; I75-I132 HydrophobicContact CD1-CD1 3.79Å; I75-I132 HydrophobicContact CG2-CD1 4.05Å; I75-E136 HydrophobicContact CD1-CG 3.97Å
76	M	98.7	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	96.4	178	-62	179.7	73.1	0	0	109.6	C55 V64 V74 C84 A87 R88 L91 L112 I113 E115	C55-M76 WeakPolarHBondContact SG-CA 3.37Å; C55-M76 WeakPolarHBondContact SG-CB 3.31Å; V64-M76 HydrophobicContact CG1-CE 4.35Å; V64-M76 HydrophobicContact CG1-CG 4.09Å; V64-M76 HydrophobicContact CG1-SD 4.15Å; V64-M76 HydrophobicContact CG2-CG 4.28Å; V74-M76 HydrophobicContact CG1-CG 4.5Å; V74-M76 PolarHBondContact O-N 3.28Å; M76-C84 PolarHBondContact O-SG 3.08Å; M76-C84 VanDerWaalsContact O-SG 3.39Å; M76-A87 HydrophobicContact CE-CB 4.15Å; M76-R88 HydrophobicContact SD-CB 4.2Å; M76-R88 HydrophobicContact SD-CG 4.42Å; M76-L91 HydrophobicContact CE-CD1 3.96Å; M76-L91 HydrophobicContact SD-CD1 4.31Å; M76-L112 HydrophobicContact SD-CB 4.21Å; M76-L112 HydrophobicContact SD-CD2 4.49Å; M76-I113 PolarHBondContact N-O 2.81Å; M76-E115 PolarHBondContact O-N 3.06Å
77	A	98.7	Very high	96.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	107.3	-175.9	0	0	0	0	0	110.7	I51 V52 T53 G54 I75 E115 L117 F128	I51-A77 HydrophobicContact CG2-CB 4.27Å; V52-A77 PolarHBondContact O-N 2.9Å; T53-A77 CarbonylContact C-O 3.58Å; T53-A77 WeakPolarHBondContact CA-O 3.29Å; G54-A77 PolarHBondContact N-O 3.47Å; I75-A77 PolarHBondContact O-N 2.99Å; A77-E115 WeakPolarHBondContact CA-O 3.02Å; A77-L117 HydrophobicContact CB-CB 4.01Å; A77-L117 HydrophobicContact CB-CD2 3.7Å; A77-F128 HydrophobicContact CB-CE2 3.61Å; A77-F128 HydrophobicContact CB-CZ 3.7Å
78	C	98.4	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149	-173.6	-68.7	0	0	0	0	112	C55 N56 C84 E115 E116 L117	C55-C78 PolarHBondContact N-SG 3.44Å; C55-C78 VanDerWaalsContact N-SG 3.44Å; C55-C78 VanDerWaalsContact SG-SG 3.7Å; N56-C78 PolarHBondContact N-SG 3.03Å; N56-C78 VanDerWaalsContact N-SG 3.44Å; C78-C84 HydrophobicContact CB-CB 3.74Å; C78-C84 VanDerWaalsContact SG-SG 3.61Å; C78-E115 PolarHBondContact N-O 2.8Å; C78-E116 WeakPolarHBondContact O-CA 3.46Å; C78-L117 CarbonylContact C-O 3.6Å; C78-L117 PolarHBondContact O-N 3.43Å
79	R	97.2	Very high	96.8	Very high	155 Å²	155	44.9 Å²	44.9	59%	0.585	20%	0.199	S	C	*	.	S	Bend	trans	-65.8	-41.1	177.4	-178.2	176.4	69.4	-178.2	1.9	113.4	L117 D118	R79-L117 WeakPolarHBondContact CA-O 3.44Å; R79-L117 PolarHBondContact N-O 3.12Å; R79-L117 VanDerWaalsContact N-O 3.08Å; R79-D118 HydrophobicContact CB-CB 4.49Å; R79-D118 WeakPolarHBondContact CD-OD1 3.48Å; R79-D118 VanDerWaalsContact CD-OD2 3.24Å; R79-D118 WeakPolarHBondContact CD-OD2 3.37Å; R79-D118 HydrophobicContact CG-CB 3.86Å
80	D	97.4	Very high	97	Very high	50 Å²	50	48.2 Å²	48.2	27%	0.267	22%	0.215	S	C	.	.			trans	-104.4	100.1	-178	-177.6	-33.6	0	0	0	108.6	R82 K83 C84	D80-R82 PolarHBondContact O-N 3.08Å; D80-R82 WeakPolarHBondContact OD1-CB 3.34Å; D80-R82 PolarHBondContact OD1-N 2.69Å; D80-K83 HydrophobicContact CB-CB 4.1Å; D80-K83 HydrophobicContact CB-CD 4.22Å; D80-K83 HydrophobicContact CB-CG 4.21Å; D80-K83 PolarHBondContact O-N 2.97Å; D80-K83 VanDerWaalsContact O-N 3.17Å; D80-K83 PolarHBondContact OD1-N 3.48Å; D80-K83 WeakPolarHBondContact OD2-CD 3.31Å; D80-K83 WeakPolarHBondContact OD2-CE 3.31Å; D80-K83 WeakPolarHBondContact OD2-CG 3.39Å; D80-K83 IonicContact OD2-NZ 2.73Å; D80-K83 PolarHBondContact OD2-NZ 2.88Å; D80-C84 PolarHBondContact O-N 3.33Å
81	L	96.8	Very high	97	Very high	80 Å²	80	48 Å²	48	42%	0.419	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-34.1	-175.3	-169.8	64.4	0	0	0	112.1	C84 E85 C114	L81-C84 VanDerWaalsContact O-CB 3.32Å; L81-C84 WeakPolarHBondContact O-CB 3.34Å; L81-C84 PolarHBondContact O-N 2.98Å; L81-E85 WeakPolarHBondContact O-CB 3.35Å; L81-E85 PolarHBondContact O-N 3.49Å; L81-C114 HydrophobicContact CD1-CB 3.83Å
82	R	98.2	Very high	97.1	Very high	162 Å²	162	49.4 Å²	49.4	61%	0.611	22%	0.218	S	C	*	.	H	α-helix	trans	-66.4	-43.4	176.9	-173.1	-170.9	66.7	87.8	-1.2	111.4	D80 C84 E85 L86	D80-R82 PolarHBondContact O-N 3.08Å; D80-R82 WeakPolarHBondContact OD1-CB 3.34Å; D80-R82 PolarHBondContact OD1-N 2.69Å; R82-C84 VanDerWaalsContact C-N 3.29Å; R82-E85 PolarHBondContact O-N 3.05Å; R82-L86 WeakPolarHBondContact O-CG 3.41Å; R82-L86 PolarHBondContact O-N 3.04Å; R82-L86 VanDerWaalsContact O-N 3.08Å
83	K	97.9	Very high	96.8	Very high	90 Å²	90	54.4 Å²	54.4	39%	0.391	25%	0.249	S	C	.	.	H	α-helix	trans	-66.8	-33.3	173.6	-71	-174.3	-174.5	105.9	0	112	N56 D80 A87	N56-K83 HydrophobicContact CB-CB 4.41Å; D80-K83 HydrophobicContact CB-CB 4.1Å; D80-K83 HydrophobicContact CB-CD 4.22Å; D80-K83 HydrophobicContact CB-CG 4.21Å; D80-K83 PolarHBondContact O-N 2.97Å; D80-K83 VanDerWaalsContact O-N 3.17Å; D80-K83 PolarHBondContact OD1-N 3.48Å; D80-K83 WeakPolarHBondContact OD2-CD 3.31Å; D80-K83 WeakPolarHBondContact OD2-CE 3.31Å; D80-K83 WeakPolarHBondContact OD2-CG 3.39Å; D80-K83 IonicContact OD2-NZ 2.73Å; D80-K83 PolarHBondContact OD2-NZ 2.88Å; K83-A87 WeakPolarHBondContact O-CB 3.47Å; K83-A87 PolarHBondContact O-N 3.27Å
84	C	98.1	Very high	96.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-46	174.4	-161.7	0	0	0	0	111.2	M76 C78 D80 L81 R82 L86 A87 R88 C114	M76-C84 PolarHBondContact O-SG 3.08Å; M76-C84 VanDerWaalsContact O-SG 3.39Å; C78-C84 HydrophobicContact CB-CB 3.74Å; C78-C84 VanDerWaalsContact SG-SG 3.61Å; D80-C84 PolarHBondContact O-N 3.33Å; L81-C84 VanDerWaalsContact O-CB 3.32Å; L81-C84 WeakPolarHBondContact O-CB 3.34Å; L81-C84 PolarHBondContact O-N 2.98Å; R82-C84 VanDerWaalsContact C-N 3.29Å; C84-L86 PolarHBondContact O-N 3.33Å; C84-A87 WeakPolarHBondContact O-CB 3.36Å; C84-A87 PolarHBondContact O-N 3.4Å; C84-R88 PolarHBondContact O-N 3.26Å; C84-C114 HydrophobicContact CB-CB 4.24Å
85	E	98.1	Very high	94.6	Very high	53 Å²	53	59.3 Å²	59.3	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-43.3	177.4	-175.6	60.9	-149.5	0	0	112.1	L81 R82 A87 R88 Q89	L81-E85 WeakPolarHBondContact O-CB 3.35Å; L81-E85 PolarHBondContact O-N 3.49Å; R82-E85 PolarHBondContact O-N 3.05Å; E85-A87 VanDerWaalsContact C-N 3.32Å; E85-A87 PolarHBondContact O-N 2.99Å; E85-R88 WeakPolarHBondContact O-CB 3.42Å; E85-R88 PolarHBondContact O-N 2.99Å; E85-R88 IonicContact OE1-CZ 3.79Å; E85-R88 IonicContact OE1-NE 3.38Å; E85-R88 IonicContact OE1-NH1 3.05Å; E85-R88 PolarHBondContact OE1-NH1 3.36Å; E85-R88 VanDerWaalsContact OE1-NH1 3.14Å; E85-R88 IonicContact OE1-NH2 3.53Å; E85-R88 PolarHBondContact OE1-NH2 2.85Å; E85-R88 IonicContact OE2-CZ 2.79Å; E85-R88 IonicContact OE2-NH1 3.35Å; E85-R88 PolarHBondContact OE2-NH1 3.4Å; E85-R88 IonicContact OE2-NH2 2.71Å; E85-Q89 WeakPolarHBondContact O-CG 3.42Å; E85-Q89 PolarHBondContact O-N 2.92Å; E85-Q89 PolarHBondContact OE1-NE2 3.3Å
86	L	97.8	Very high	92.5	Very high	86 Å²	86	62.3 Å²	62.3	45%	0.45	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-41	174.5	-71.6	172.5	0	0	0	112	R82 C84 R88 Q89 E90	R82-L86 WeakPolarHBondContact O-CG 3.41Å; R82-L86 PolarHBondContact O-N 3.04Å; R82-L86 VanDerWaalsContact O-N 3.08Å; C84-L86 PolarHBondContact O-N 3.33Å; L86-R88 VanDerWaalsContact C-N 3.34Å; L86-Q89 PolarHBondContact O-N 2.89Å; L86-E90 PolarHBondContact O-N 3.45Å
87	A	97	Very high	90	Very high	4 Å²	4	69 Å²	69	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-37.4	175.4	0	0	0	0	0	111.9	N56 L61 M76 K83 C84 E85 E90 L91	N56-A87 HydrophobicContact CB-CB 4.14Å; L61-A87 HydrophobicContact CD1-CB 3.89Å; M76-A87 HydrophobicContact CE-CB 4.15Å; K83-A87 WeakPolarHBondContact O-CB 3.47Å; K83-A87 PolarHBondContact O-N 3.27Å; C84-A87 WeakPolarHBondContact O-CB 3.36Å; C84-A87 PolarHBondContact O-N 3.4Å; E85-A87 VanDerWaalsContact C-N 3.32Å; E85-A87 PolarHBondContact O-N 2.99Å; A87-E90 PolarHBondContact O-N 2.65Å; A87-L91 WeakPolarHBondContact O-CG 3.26Å; A87-L91 PolarHBondContact O-N 3.5Å
88	R	97.4	Very high	87.7	Confident	56 Å²	56	76.8 Å²	76.8	21%	0.211	37%	0.372	C	S	.	.	H	α-helix	trans	-59.9	-48	172.4	-170.2	-177.6	90.4	-133.2	-4.1	111.1	M76 C84 E85 L86 E90 L91 L92 L112	M76-R88 HydrophobicContact SD-CB 4.2Å; M76-R88 HydrophobicContact SD-CG 4.42Å; C84-R88 PolarHBondContact O-N 3.26Å; E85-R88 WeakPolarHBondContact O-CB 3.42Å; E85-R88 PolarHBondContact O-N 2.99Å; E85-R88 IonicContact OE1-CZ 3.79Å; E85-R88 IonicContact OE1-NE 3.38Å; E85-R88 IonicContact OE1-NH1 3.05Å; E85-R88 PolarHBondContact OE1-NH1 3.36Å; E85-R88 VanDerWaalsContact OE1-NH1 3.14Å; E85-R88 IonicContact OE1-NH2 3.53Å; E85-R88 PolarHBondContact OE1-NH2 2.85Å; E85-R88 IonicContact OE2-CZ 2.79Å; E85-R88 IonicContact OE2-NH1 3.35Å; E85-R88 PolarHBondContact OE2-NH1 3.4Å; E85-R88 IonicContact OE2-NH2 2.71Å; L86-R88 VanDerWaalsContact C-N 3.34Å; R88-E90 VanDerWaalsContact C-N 3.33Å; R88-E90 PolarHBondContact O-N 3.49Å; R88-L91 PolarHBondContact O-N 3.23Å; R88-L92 HydrophobicContact CG-CD1 4.08Å; R88-L92 WeakPolarHBondContact O-CG 3.48Å; R88-L92 PolarHBondContact O-N 3.3Å; R88-L112 WeakPolarHBondContact CD-O 3.39Å; R88-L112 HydrophobicContact CG-CB 3.65Å; R88-L112 HydrophobicContact CG-CD1 3.89Å; R88-L112 HydrophobicContact CG-CG 4.45Å
89	Q	95.9	Very high	85.2	Confident	94 Å²	94	85.8 Å²	85.8	44%	0.439	41%	0.411	S	S	.	.	H	α-helix	trans	-62.8	-39.4	178.4	-69	172.5	7	0	0	112	E85 L86 L92 T93	E85-Q89 WeakPolarHBondContact O-CG 3.42Å; E85-Q89 PolarHBondContact O-N 2.92Å; E85-Q89 PolarHBondContact OE1-NE2 3.3Å; L86-Q89 PolarHBondContact O-N 2.89Å; Q89-L92 PolarHBondContact O-N 3.3Å; Q89-T93 WeakPolarHBondContact O-CB 3.16Å; Q89-T93 WeakPolarHBondContact O-CG2 3.49Å; Q89-T93 PolarHBondContact O-N 3.45Å; Q89-T93 VanDerWaalsContact O-N 3.11Å; Q89-T93 PolarHBondContact O-OG1 2.93Å
90	E	94.9	Very high	83	Confident	85 Å²	85	80.6 Å²	80.6	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-57.8	-50.4	173	-174.4	-174.2	151.9	0	0	110.6	L86 A87 R88 L92 T93 R94	L86-E90 PolarHBondContact O-N 3.45Å; A87-E90 PolarHBondContact O-N 2.65Å; R88-E90 VanDerWaalsContact C-N 3.33Å; R88-E90 PolarHBondContact O-N 3.49Å; E90-L92 PolarHBondContact O-N 2.75Å; E90-T93 PolarHBondContact O-N 3.24Å; E90-T93 VanDerWaalsContact O-N 3.16Å; E90-T93 PolarHBondContact O-OG1 3.3Å; E90-T93 VanDerWaalsContact O-OG1 3.09Å; E90-R94 WeakPolarHBondContact O-CG 3.38Å; E90-R94 PolarHBondContact O-N 2.83Å; E90-R94 IonicContact OE1-CZ 2.71Å; E90-R94 IonicContact OE1-NE 3.18Å; E90-R94 PolarHBondContact OE1-NE 3.24Å; E90-R94 IonicContact OE1-NH2 2.64Å; E90-R94 PolarHBondContact OE1-NH2 3.02Å
91	L	94.1	Very high	80.9	Confident	1 Å²	1	80.3 Å²	80.3	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-59.4	-44.3	179.1	-69.2	173.7	0	0	0	112.6	L61 V64 N65 M76 A87 R88 T93 R94 L107 L112	L61-L91 HydrophobicContact CD1-CD1 3.83Å; L61-L91 HydrophobicContact CD1-CD2 3.86Å; L61-L91 HydrophobicContact CD1-CG 3.76Å; L61-L91 HydrophobicContact CG-CD2 4.27Å; V64-L91 HydrophobicContact CB-CD1 4.13Å; V64-L91 HydrophobicContact CG1-CD1 3.49Å; V64-L91 VanDerWaalsContact CG1-CD1 3.49Å; N65-L91 HydrophobicContact CB-CD2 3.66Å; M76-L91 HydrophobicContact CE-CD1 3.96Å; M76-L91 HydrophobicContact SD-CD1 4.31Å; A87-L91 WeakPolarHBondContact O-CG 3.26Å; A87-L91 PolarHBondContact O-N 3.5Å; R88-L91 PolarHBondContact O-N 3.23Å; L91-T93 PolarHBondContact O-N 3.48Å; L91-R94 PolarHBondContact O-N 2.97Å; L91-L107 HydrophobicContact CB-CD1 4.24Å; L91-L112 HydrophobicContact CB-CD1 3.9Å; L91-L112 HydrophobicContact CD1-CD1 3.93Å
92	L	92.9	Very high	78.9	Confident	42 Å²	42	77.7 Å²	77.7	22%	0.22	39%	0.386	C	S	.	.	H	α-helix	trans	-66.4	-23.1	179.5	-67.3	170.6	0	0	0	113.3	R88 Q89 E90 L107 P109 L112	R88-L92 HydrophobicContact CG-CD1 4.08Å; R88-L92 WeakPolarHBondContact O-CG 3.48Å; R88-L92 PolarHBondContact O-N 3.3Å; Q89-L92 PolarHBondContact O-N 3.3Å; E90-L92 PolarHBondContact O-N 2.75Å; L92-L107 HydrophobicContact CD2-CB 3.98Å; L92-P109 HydrophobicContact CD1-CB 4.18Å; L92-P109 HydrophobicContact CD1-CG 4.37Å; L92-P109 HydrophobicContact CD2-CG 4.42Å; L92-L112 HydrophobicContact CD2-CD1 4.21Å; L92-L112 HydrophobicContact CG-CD1 4.29Å
93	T	89.9	Confident	76.9	Confident	106 Å²	106	77.8 Å²	77.8	65%	0.65	40%	0.398	S	S	*	.	H	α-helix	trans	-101.8	-9.9	-178.7	55.2	0	0	0	0	113.6	Q89 E90 L91 T95	Q89-T93 WeakPolarHBondContact O-CB 3.16Å; Q89-T93 WeakPolarHBondContact O-CG2 3.49Å; Q89-T93 PolarHBondContact O-N 3.45Å; Q89-T93 VanDerWaalsContact O-N 3.11Å; Q89-T93 PolarHBondContact O-OG1 2.93Å; E90-T93 PolarHBondContact O-N 3.24Å; E90-T93 VanDerWaalsContact O-N 3.16Å; E90-T93 PolarHBondContact O-OG1 3.3Å; E90-T93 VanDerWaalsContact O-OG1 3.09Å; L91-T93 PolarHBondContact O-N 3.48Å; T93-T95 PolarHBondContact O-N 3.38Å
94	R	85.9	Confident	75.2	Confident	75 Å²	75	75.4 Å²	75.4	28%	0.283	39%	0.393	S	S	.	.			trans	-62.4	102.1	172.2	-82.4	177.4	-177.8	-156.6	2.3	108.5	E62 E90 L91	E62-R94 VanDerWaalsContact CD-NH1 3.28Å; E62-R94 IonicContact OE1-CZ 3.62Å; E62-R94 IonicContact OE1-NH1 3.72Å; E62-R94 PolarHBondContact OE1-NH1 2.94Å; E62-R94 IonicContact OE1-NH2 3.47Å; E62-R94 PolarHBondContact OE1-NH2 2.82Å; E62-R94 IonicContact OE2-NH1 2.7Å; E62-R94 PolarHBondContact OE2-NH1 2.65Å; E90-R94 WeakPolarHBondContact O-CG 3.38Å; E90-R94 PolarHBondContact O-N 2.83Å; E90-R94 IonicContact OE1-CZ 2.71Å; E90-R94 IonicContact OE1-NE 3.18Å; E90-R94 PolarHBondContact OE1-NE 3.24Å; E90-R94 IonicContact OE1-NH2 2.64Å; E90-R94 PolarHBondContact OE1-NH2 3.02Å; L91-R94 PolarHBondContact O-N 2.97Å
95	T	61.9	Low	74	Confident	103 Å²	103	78.8 Å²	78.8	63%	0.632	41%	0.413	S	S	*	.			trans	-62.5	135.7	167.9	19.7	0	0	0	0	107.8	T93 N97	T93-T95 PolarHBondContact O-N 3.38Å; T95-N97 WeakPolarHBondContact CB-ND2 3.25Å; T95-N97 PolarHBondContact O-N 2.71Å; T95-N97 PolarHBondContact OG1-ND2 2.79Å
96	C	55.9	Low	73.2	Confident	64 Å²	64	82.4 Å²	82.4	43%	0.432	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	33.6	-179.2	-54.1	0	0	0	0	113.8	E98	C96-E98 PolarHBondContact O-N 3.05Å
97	N	46.6	Very low	72.8	Confident	141 Å²	141	78.6 Å²	78.6	75%	0.754	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-17	-178.5	-69.8	-21.5	0	0	0	112.4	T95	T95-N97 WeakPolarHBondContact CB-ND2 3.25Å; T95-N97 PolarHBondContact O-N 2.71Å; T95-N97 PolarHBondContact OG1-ND2 2.79Å
98	E	49.4	Very low	72.5	Confident	165 Å²	165	82.9 Å²	82.9	77%	0.771	43%	0.429	S	S	*	.	S	Bend	trans	-97.5	107	165	-68.1	-172.7	174.5	0	0	107.8	C96 P100	C96-E98 PolarHBondContact O-N 3.05Å; E98-P100 WeakPolarHBondContact O-CD 3.19Å
99	K	46	Very low	72.3	Confident	189 Å²	189	83.7 Å²	83.7	82%	0.822	44%	0.442	S	S	*	.			trans	-28	106.3	-179.3	-73.6	179	177.6	179.5	0	111.8	S101	K99-S101 PolarHBondContact O-N 2.95Å
100	P	50.4	Low	72.2	Confident	46 Å²	46	85 Å²	85	30%	0.299	45%	0.452	S	S	.	.			trans	-62.3	142.3	167.5	19.7	-25.1	0	0	0	108.9	E98 V102 S104	E98-P100 WeakPolarHBondContact O-CD 3.19Å; P100-V102 PolarHBondContact O-N 3.17Å; P100-V102 VanDerWaalsContact O-N 3.1Å; P100-S104 WeakPolarHBondContact CB-OG 3.5Å; P100-S104 VanDerWaalsContact CG-OG 3.31Å; P100-S104 WeakPolarHBondContact CG-OG 3.33Å
101	S	53.8	Low	72.2	Confident	44 Å²	44	82.2 Å²	82.2	31%	0.308	44%	0.439	S	S	.	.	S	Bend	trans	-60.3	-20.6	-179	46.1	0	0	0	0	112.6	E66 K99	E66-S101 PolarHBondContact OE1-OG 3.24Å; K99-S101 PolarHBondContact O-N 2.95Å
102	V	53.9	Low	72.3	Confident	26 Å²	26	82.3 Å²	82.3	16%	0.158	44%	0.439	C	S	.	.	S	Bend	trans	-152.9	155.5	-176.9	-159.7	0	0	0	0	109.6	E42 P100 S104	E42-V102 HydrophobicContact CB-CG1 3.87Å; E42-V102 HydrophobicContact CG-CG1 3.9Å; E42-V102 HydrophobicContact CG-CG2 4.24Å; P100-V102 PolarHBondContact O-N 3.17Å; P100-V102 VanDerWaalsContact O-N 3.1Å; V102-S104 PolarHBondContact O-N 3.34Å; V102-S104 PolarHBondContact O-OG 2.91Å
103	L	57.2	Low	72.6	Confident	164 Å²	164	82.2 Å²	82.2	86%	0.859	44%	0.439	S	S	*	.			trans	-32.1	99.8	172.5	-94.7	128.6	0	0	0	111.8	R44	R44-L103 PolarHBondContact NH1-O 3.16Å
104	S	62.1	Low	73	Confident	40 Å²	40	78.1 Å²	78.1	28%	0.28	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-95.4	131.4	-172.2	-77.7	0	0	0	0	110.9	P100 V102	P100-S104 WeakPolarHBondContact CB-OG 3.5Å; P100-S104 VanDerWaalsContact CG-OG 3.31Å; P100-S104 WeakPolarHBondContact CG-OG 3.33Å; V102-S104 PolarHBondContact O-N 3.34Å; V102-S104 PolarHBondContact O-OG 2.91Å
105	V	72.1	Confident	73.6	Confident	71 Å²	71	75.4 Å²	75.4	43%	0.43	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-82.6	148.5	173.1	-173.4	0	0	0	0	108.1	R44 H69 L107	R44-V105 VanDerWaalsContact NH2-CG2 3.33Å; H69-V105 PolarHBondContact CD2-O 3.09Å; H69-V105 VanDerWaalsContact CD2-O 3.3Å; H69-V105 PolarHBondContact O-N 2.99Å; V105-L107 PolarHBondContact O-N 3.42Å
106	H	82.9	Confident	75.3	Confident	128 Å²	128	75.2 Å²	75.2	59%	0.593	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-58.4	136.1	168.9	-168.8	66.8	0	0	0	109.6	E108	H106-E108 IonicContact CD2-OE1 2.69Å; H106-E108 PolarHBondContact O-N 3.11Å
107	L	89.6	Confident	77.3	Confident	6 Å²	6	72.4 Å²	72.4	3%	0.031	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-77	119	177.7	-67.4	-175.9	0	0	0	109.8	A68 L91 L92 V105	A68-L107 VanDerWaalsContact C-CD2 3.4Å; A68-L107 HydrophobicContact CB-CD1 4.48Å; A68-L107 HydrophobicContact CB-CD2 3.41Å; A68-L107 VanDerWaalsContact CB-CD2 3.41Å; L91-L107 HydrophobicContact CB-CD1 4.24Å; L92-L107 HydrophobicContact CD2-CB 3.98Å; V105-L107 PolarHBondContact O-N 3.42Å
108	E	90.5	Very high	79.8	Confident	94 Å²	94	67.6 Å²	67.6	44%	0.439	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-85.5	142.6	173.4	-62.7	-58.8	146	0	0	110.9	H106 D110 Q111	H106-E108 IonicContact CD2-OE1 2.69Å; H106-E108 PolarHBondContact O-N 3.11Å; E108-D110 VanDerWaalsContact C-N 3.26Å; E108-D110 WeakPolarHBondContact CB-OD1 3.47Å; E108-D110 PolarHBondContact O-N 3.4Å; E108-Q111 WeakPolarHBondContact O-CB 3.37Å; E108-Q111 PolarHBondContact O-N 2.92Å
109	P	92.1	Very high	82.1	Confident	74 Å²	74	60.3 Å²	60.3	48%	0.481	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-58.1	-33.2	-178.5	-27	35	0	0	0	114.8	L92 Q111 L112	L92-P109 HydrophobicContact CD1-CB 4.18Å; L92-P109 HydrophobicContact CD1-CG 4.37Å; L92-P109 HydrophobicContact CD2-CG 4.42Å; P109-Q111 VanDerWaalsContact C-N 3.25Å; P109-Q111 PolarHBondContact O-N 2.84Å; P109-L112 PolarHBondContact O-N 2.83Å
110	D	93.5	Very high	84.4	Confident	122 Å²	122	53.6 Å²	53.6	65%	0.652	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-74.9	-15.8	179.6	66.7	-27.3	0	0	0	113.2	E108 L112	E108-D110 VanDerWaalsContact C-N 3.26Å; E108-D110 WeakPolarHBondContact CB-OD1 3.47Å; E108-D110 PolarHBondContact O-N 3.4Å; D110-L112 VanDerWaalsContact C-N 3.29Å; D110-L112 PolarHBondContact O-N 3.19Å
111	Q	94.7	Very high	86.5	Confident	25 Å²	25	53.2 Å²	53.2	12%	0.117	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-72.9	-22.9	176.1	-158	-173	-60.9	0	0	112.5	A68 A72 R73 V74 E108 P109	A68-Q111 VanDerWaalsContact CB-NE2 3.33Å; A68-Q111 PolarHBondContact O-NE2 3.33Å; A72-Q111 VanDerWaalsContact O-CD 3.31Å; A72-Q111 WeakPolarHBondContact O-CG 3.32Å; A72-Q111 PolarHBondContact O-NE2 2.91Å; R73-Q111 CarbonylContact C-O 3.56Å; R73-Q111 WeakPolarHBondContact CA-O 3.44Å; V74-Q111 PolarHBondContact N-O 3.24Å; E108-Q111 WeakPolarHBondContact O-CB 3.37Å; E108-Q111 PolarHBondContact O-N 2.92Å; P109-Q111 VanDerWaalsContact C-N 3.25Å; P109-Q111 PolarHBondContact O-N 2.84Å
112	L	97.7	Very high	88.5	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.1	-177.5	-60.3	-178.4	0	0	0	110.7	V64 A68 V74 M76 R88 L91 L92 P109 D110	V64-L112 HydrophobicContact CG1-CD2 3.77Å; A68-L112 HydrophobicContact CB-CD2 3.83Å; V74-L112 HydrophobicContact CB-CD2 4.03Å; V74-L112 HydrophobicContact CG2-CD2 4.37Å; M76-L112 HydrophobicContact SD-CB 4.21Å; M76-L112 HydrophobicContact SD-CD2 4.49Å; R88-L112 WeakPolarHBondContact CD-O 3.39Å; R88-L112 HydrophobicContact CG-CB 3.65Å; R88-L112 HydrophobicContact CG-CD1 3.89Å; R88-L112 HydrophobicContact CG-CG 4.45Å; L91-L112 HydrophobicContact CB-CD1 3.9Å; L91-L112 HydrophobicContact CD1-CD1 3.93Å; L92-L112 HydrophobicContact CD2-CD1 4.21Å; L92-L112 HydrophobicContact CG-CD1 4.29Å; P109-L112 PolarHBondContact O-N 2.83Å; D110-L112 VanDerWaalsContact C-N 3.29Å; D110-L112 PolarHBondContact O-N 3.19Å
113	I	98.1	Very high	90.5	Very high	41 Å²	41	59 Å²	59	21%	0.21	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.5	-174.4	-63.6	161.9	0	0	0	109.5	R73 V74 I75 M76 E115	R73-I113 HydrophobicContact CG-CD1 4.18Å; V74-I113 PolarHBondContact O-N 3.35Å; I75-I113 CarbonylContact C-O 3.6Å; I75-I113 WeakPolarHBondContact CA-O 3.49Å; I75-I113 HydrophobicContact CG1-CB 4.44Å; M76-I113 PolarHBondContact N-O 2.81Å; I113-E115 HydrophobicContact CG2-CG 4.29Å
114	C	98.5	Very high	92.5	Very high	20 Å²	20	51.8 Å²	51.8	14%	0.135	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128	176.7	-62	0	0	0	0	110.6	L81 C84	L81-C114 HydrophobicContact CD1-CB 3.83Å; C84-C114 HydrophobicContact CB-CB 4.24Å
115	E	98.4	Very high	94.2	Very high	18 Å²	18	49.9 Å²	49.9	8%	0.084	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.2	177.3	-82.3	-72.2	162.6	0	0	110.6	I75 M76 A77 C78 I113 F128 R131 I132 R135	I75-E115 HydrophobicContact CG2-CB 4.12Å; I75-E115 HydrophobicContact CG2-CG 3.96Å; M76-E115 PolarHBondContact O-N 3.06Å; A77-E115 WeakPolarHBondContact CA-O 3.02Å; C78-E115 PolarHBondContact N-O 2.8Å; I113-E115 HydrophobicContact CG2-CG 4.29Å; E115-F128 HydrophobicContact CB-CD2 3.96Å; E115-F128 HydrophobicContact CB-CE2 3.56Å; E115-F128 HydrophobicContact CG-CE2 4.29Å; E115-R131 IonicContact OE2-CZ 3.17Å; E115-R131 IonicContact OE2-NE 3.73Å; E115-R131 PolarHBondContact OE2-NE 3.32Å; E115-R131 IonicContact OE2-NH2 2.69Å; E115-R131 PolarHBondContact OE2-NH2 3.49Å; E115-I132 HydrophobicContact CG-CD1 4.47Å; E115-R135 IonicContact OE1-CZ 3.94Å; E115-R135 IonicContact OE1-NH1 3.9Å; E115-R135 PolarHBondContact OE1-NH1 3.44Å
116	E	98.4	Very high	95.4	Very high	98 Å²	98	51.2 Å²	51.2	46%	0.458	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.2	177.5	-174.3	-179.3	-173.9	0	0	110.9	C78 F128 R131	C78-E116 WeakPolarHBondContact O-CA 3.46Å; E116-F128 WeakPolarHBondContact O-CD2 3.37Å; E116-R131 PolarHBondContact O-NH2 2.83Å
117	L	98.6	Very high	96.1	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	24%	0.238	C	C	.	.			trans	-145.8	110.2	174.5	174.2	64.4	0	0	0	110.4	T53 A77 C78 R79 L119 I125 F128 L174	T53-L117 HydrophobicContact CG2-CD2 3.75Å; A77-L117 HydrophobicContact CB-CB 4.01Å; A77-L117 HydrophobicContact CB-CD2 3.7Å; C78-L117 CarbonylContact C-O 3.6Å; C78-L117 PolarHBondContact O-N 3.43Å; R79-L117 WeakPolarHBondContact CA-O 3.44Å; R79-L117 PolarHBondContact N-O 3.12Å; R79-L117 VanDerWaalsContact N-O 3.08Å; L117-L119 HydrophobicContact CD1-CD2 4.42Å; L117-L119 HydrophobicContact CD2-CD2 4.2Å; L117-L119 HydrophobicContact CD2-CG 4.36Å; L117-L119 HydrophobicContact CG-CD2 4.37Å; L117-L119 HydrophobicContact CG-CG 4.3Å; L117-I125 HydrophobicContact CD1-CB 4.42Å; L117-I125 HydrophobicContact CD1-CG1 3.98Å; L117-F128 HydrophobicContact CB-CD2 3.91Å; L117-F128 HydrophobicContact CB-CE2 4.32Å; L117-F128 HydrophobicContact CB-CG 4.17Å; L117-F128 HydrophobicContact CD1-CB 3.9Å; L117-F128 HydrophobicContact CD1-CD1 4.12Å; L117-F128 HydrophobicContact CD1-CG 3.93Å; L117-F128 HydrophobicContact CD2-CD1 4.47Å; L117-F128 HydrophobicContact CD2-CE1 4.45Å; L117-F128 HydrophobicContact CG-CG 4.45Å; L117-L174 HydrophobicContact CD1-CD1 4.42Å; L117-L174 HydrophobicContact CD2-CD2 3.88Å
118	D	97.7	Very high	96.6	Very high	40 Å²	40	48.6 Å²	48.6	21%	0.214	24%	0.237	C	C	.	.			trans	-99	106.5	167	-166	-10.1	0	0	0	110.8	R79 E120 S121 S124	R79-D118 HydrophobicContact CB-CB 4.49Å; R79-D118 WeakPolarHBondContact CD-OD1 3.48Å; R79-D118 VanDerWaalsContact CD-OD2 3.24Å; R79-D118 WeakPolarHBondContact CD-OD2 3.37Å; R79-D118 HydrophobicContact CG-CB 3.86Å; D118-E120 PolarHBondContact O-N 2.76Å; D118-E120 WeakPolarHBondContact OD1-CB 3.23Å; D118-E120 PolarHBondContact OD1-N 3.45Å; D118-S121 PolarHBondContact O-N 3.23Å; D118-S124 PolarHBondContact N-OG 2.88Å
119	L	97.6	Very high	96.9	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.058	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-8.2	177.8	-70.4	165.5	0	0	0	113.7	L117 I125 A146 V166 H171 L174 W332	L117-L119 HydrophobicContact CD1-CD2 4.42Å; L117-L119 HydrophobicContact CD2-CD2 4.2Å; L117-L119 HydrophobicContact CD2-CG 4.36Å; L117-L119 HydrophobicContact CG-CD2 4.37Å; L117-L119 HydrophobicContact CG-CG 4.3Å; L119-I125 HydrophobicContact CD2-CG1 4.48Å; L119-A146 HydrophobicContact CD1-CB 3.37Å; L119-V166 HydrophobicContact CB-CG1 4.46Å; L119-H171 VanDerWaalsContact CD1-NE2 3.34Å; L119-H171 WeakPolarHBondContact CD1-NE2 3.43Å; L119-L174 HydrophobicContact CD2-CD2 4.34Å; L119-W332 WeakPolarHBondContact O-CH2 3.19Å
120	E	94.7	Very high	97.2	Very high	49 Å²	49	45.4 Å²	45.4	23%	0.229	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	4.2	171.7	-152.3	179.2	169.5	0	0	112.5	D118 K162 V166 W332	D118-E120 PolarHBondContact O-N 2.76Å; D118-E120 WeakPolarHBondContact OD1-CB 3.23Å; D118-E120 PolarHBondContact OD1-N 3.45Å; E120-K162 VanDerWaalsContact CD-NZ 3.32Å; E120-K162 IonicContact OE1-NZ 3.61Å; E120-K162 PolarHBondContact OE1-NZ 2.86Å; E120-K162 IonicContact OE2-NZ 3.43Å; E120-K162 PolarHBondContact OE2-NZ 2.97Å; E120-V166 HydrophobicContact CB-CG2 4.02Å; E120-V166 HydrophobicContact CG-CG2 3.96Å; E120-W332 WeakPolarHBondContact O-CZ2 3.15Å
121	S	95.3	Very high	97.4	Very high	37 Å²	37	42.4 Å²	42.4	26%	0.259	20%	0.198	S	C	.	.			trans	-128.5	113	178.7	174.3	0	0	0	0	111.1	D118 R123 S124 I125	D118-S121 PolarHBondContact O-N 3.23Å; S121-R123 PolarHBondContact O-N 2.77Å; S121-S124 WeakPolarHBondContact O-CB 3.45Å; S121-S124 PolarHBondContact O-N 2.81Å; S121-S124 VanDerWaalsContact O-N 3.1Å; S121-S124 PolarHBondContact OG-N 2.88Å; S121-I125 VanDerWaalsContact O-CG1 3.31Å; S121-I125 WeakPolarHBondContact O-CG1 3.49Å; S121-I125 PolarHBondContact O-N 3.38Å
122	P	95.5	Very high	97.6	Very high	14 Å²	14	41.3 Å²	41.3	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-65.8	-31.7	-179.2	27.1	-29.5	0	0	0	111.3	I125 R126 L173 W332 E333	P122-I125 PolarHBondContact O-N 2.77Å; P122-R126 PolarHBondContact O-N 3.08Å; P122-L173 HydrophobicContact CB-CD2 3.93Å; P122-W332 HydrophobicContact CB-CD2 4.09Å; P122-W332 HydrophobicContact CB-CE3 4.21Å; P122-W332 HydrophobicContact CB-CZ3 4.47Å; P122-W332 VanDerWaalsContact CD-CE2 3.47Å; P122-W332 HydrophobicContact CG-CD2 3.94Å; P122-W332 HydrophobicContact CG-CG 4.11Å; P122-W332 HydrophobicContact CG-CZ2 4.29Å; P122-E333 HydrophobicContact CB-CG 3.71Å; P122-E333 HydrophobicContact CG-CG 4.47Å
123	R	96.3	Very high	97.6	Very high	179 Å²	179	44.2 Å²	44.2	68%	0.675	21%	0.208	S	C	*	.	H	α-helix	trans	-60.8	-49.1	171	179.8	178.6	172.2	175.6	-0.3	111.7	S121 I125 R126 E127	S121-R123 PolarHBondContact O-N 2.77Å; R123-I125 VanDerWaalsContact C-N 3.3Å; R123-I125 PolarHBondContact O-N 2.83Å; R123-R126 PolarHBondContact O-N 3.18Å; R123-E127 HydrophobicContact CG-CG 4.44Å; R123-E127 WeakPolarHBondContact CG-OE1 3.17Å; R123-E127 IonicContact CZ-OE1 3.08Å; R123-E127 IonicContact NE-OE1 2.61Å; R123-E127 PolarHBondContact NE-OE1 3.5Å; R123-E127 IonicContact NH2-OE1 2.91Å; R123-E127 PolarHBondContact NH2-OE1 2.99Å; R123-E127 WeakPolarHBondContact O-CB 3.45Å; R123-E127 WeakPolarHBondContact O-CG 3.25Å; R123-E127 PolarHBondContact O-N 3.07Å
124	S	97.8	Very high	97.5	Very high	11 Å²	11	46.8 Å²	46.8	8%	0.077	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-41.9	177.7	-175.9	0	0	0	0	111.3	D118 S121 R126 E127 F128	D118-S124 PolarHBondContact N-OG 2.88Å; S121-S124 WeakPolarHBondContact O-CB 3.45Å; S121-S124 PolarHBondContact O-N 2.81Å; S121-S124 VanDerWaalsContact O-N 3.1Å; S121-S124 PolarHBondContact OG-N 2.88Å; S124-R126 PolarHBondContact O-N 3.09Å; S124-E127 PolarHBondContact O-N 2.71Å; S124-F128 WeakPolarHBondContact O-CB 3.15Å; S124-F128 PolarHBondContact O-N 3.09Å
125	I	98.4	Very high	97.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-45.3	177.6	-64.3	160.8	0	0	0	111.2	L117 L119 S121 P122 R123 A129 L173 L174 L177 W332	L117-I125 HydrophobicContact CD1-CB 4.42Å; L117-I125 HydrophobicContact CD1-CG1 3.98Å; L119-I125 HydrophobicContact CD2-CG1 4.48Å; S121-I125 VanDerWaalsContact O-CG1 3.31Å; S121-I125 WeakPolarHBondContact O-CG1 3.49Å; S121-I125 PolarHBondContact O-N 3.38Å; P122-I125 PolarHBondContact O-N 2.77Å; R123-I125 VanDerWaalsContact C-N 3.3Å; R123-I125 PolarHBondContact O-N 2.83Å; I125-A129 WeakPolarHBondContact O-CB 3.25Å; I125-A129 PolarHBondContact O-N 3.44Å; I125-L173 HydrophobicContact CB-CD2 4.12Å; I125-L173 HydrophobicContact CD1-CD2 4.1Å; I125-L173 HydrophobicContact CG2-CB 4.31Å; I125-L173 HydrophobicContact CG2-CD2 3.94Å; I125-L173 HydrophobicContact CG2-CG 3.82Å; I125-L174 HydrophobicContact CG2-CB 3.88Å; I125-L174 HydrophobicContact CG2-CD1 4.19Å; I125-L177 HydrophobicContact CG2-CD1 3.97Å; I125-W332 HydrophobicContact CD1-CH2 4.2Å; I125-W332 HydrophobicContact CD1-CZ3 4.34Å
126	R	97.7	Very high	97.2	Very high	100 Å²	100	52.9 Å²	52.9	38%	0.377	25%	0.25	S	C	.	.	H	α-helix	trans	-64.6	-45.3	175.9	-78.4	-171.5	178.4	-84.6	-5.3	112.7	P122 R123 S124 F128 A129 N130 L177 E333	P122-R126 PolarHBondContact O-N 3.08Å; R123-R126 PolarHBondContact O-N 3.18Å; S124-R126 PolarHBondContact O-N 3.09Å; R126-F128 VanDerWaalsContact C-N 3.34Å; R126-F128 PolarHBondContact O-N 2.82Å; R126-A129 PolarHBondContact O-N 3.28Å; R126-N130 WeakPolarHBondContact O-CB 3.45Å; R126-N130 PolarHBondContact O-N 3.48Å; R126-N130 PolarHBondContact O-ND2 2.85Å; R126-L177 HydrophobicContact CB-CD1 4.47Å; R126-L177 HydrophobicContact CG-CD1 3.75Å; R126-E333 IonicContact CZ-OE1 2.66Å; R126-E333 IonicContact CZ-OE2 3.48Å; R126-E333 IonicContact NE-OE1 2.66Å; R126-E333 PolarHBondContact NE-OE1 3.15Å; R126-E333 IonicContact NE-OE2 3.69Å; R126-E333 IonicContact NH2-OE1 3.41Å; R126-E333 PolarHBondContact NH2-OE1 3.21Å; R126-E333 IonicContact NH2-OE2 2.7Å; R126-E333 PolarHBondContact NH2-OE2 3.24Å
127	E	97.9	Very high	96.8	Very high	78 Å²	78	57.4 Å²	57.4	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-61	-44.4	178.1	-73.5	174.1	179	0	0	111.1	R123 S124 N130 R131	R123-E127 HydrophobicContact CG-CG 4.44Å; R123-E127 WeakPolarHBondContact CG-OE1 3.17Å; R123-E127 IonicContact CZ-OE1 3.08Å; R123-E127 IonicContact NE-OE1 2.61Å; R123-E127 PolarHBondContact NE-OE1 3.5Å; R123-E127 IonicContact NH2-OE1 2.91Å; R123-E127 PolarHBondContact NH2-OE1 2.99Å; R123-E127 WeakPolarHBondContact O-CB 3.45Å; R123-E127 WeakPolarHBondContact O-CG 3.25Å; R123-E127 PolarHBondContact O-N 3.07Å; S124-E127 PolarHBondContact O-N 2.71Å; E127-N130 PolarHBondContact O-N 3.3Å; E127-R131 WeakPolarHBondContact O-CG 3.19Å; E127-R131 PolarHBondContact O-N 2.9Å; E127-R131 VanDerWaalsContact O-N 3.09Å; E127-R131 PolarHBondContact O-NH1 3.38Å
128	F	98.6	Very high	96.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-53.3	172.2	174.3	-90.6	0	0	0	111.2	I51 I75 A77 E115 E116 L117 S124 R126 N130 R131 I132 L174 L178	I51-F128 HydrophobicContact CD1-CE1 4.31Å; I51-F128 HydrophobicContact CD1-CZ 4.21Å; I51-F128 HydrophobicContact CG2-CZ 4.17Å; I75-F128 HydrophobicContact CG2-CE2 4.43Å; I75-F128 HydrophobicContact CG2-CZ 4.41Å; A77-F128 HydrophobicContact CB-CE2 3.61Å; A77-F128 HydrophobicContact CB-CZ 3.7Å; E115-F128 HydrophobicContact CB-CD2 3.96Å; E115-F128 HydrophobicContact CB-CE2 3.56Å; E115-F128 HydrophobicContact CG-CE2 4.29Å; E116-F128 WeakPolarHBondContact O-CD2 3.37Å; L117-F128 HydrophobicContact CB-CD2 3.91Å; L117-F128 HydrophobicContact CB-CE2 4.32Å; L117-F128 HydrophobicContact CB-CG 4.17Å; L117-F128 HydrophobicContact CD1-CB 3.9Å; L117-F128 HydrophobicContact CD1-CD1 4.12Å; L117-F128 HydrophobicContact CD1-CG 3.93Å; L117-F128 HydrophobicContact CD2-CD1 4.47Å; L117-F128 HydrophobicContact CD2-CE1 4.45Å; L117-F128 HydrophobicContact CG-CG 4.45Å; S124-F128 WeakPolarHBondContact O-CB 3.15Å; S124-F128 PolarHBondContact O-N 3.09Å; R126-F128 VanDerWaalsContact C-N 3.34Å; R126-F128 PolarHBondContact O-N 2.82Å; F128-N130 VanDerWaalsContact C-N 3.29Å; F128-N130 PolarHBondContact O-N 3.1Å; F128-R131 PolarHBondContact O-N 3.37Å; F128-R131 VanDerWaalsContact O-N 3.1Å; F128-I132 HydrophobicContact CD1-CG1 4.03Å; F128-I132 HydrophobicContact CD2-CG1 4.42Å; F128-I132 HydrophobicContact CE1-CD1 4.43Å; F128-I132 HydrophobicContact CE1-CG1 3.59Å; F128-I132 HydrophobicContact CE2-CD1 4.13Å; F128-I132 HydrophobicContact CE2-CG1 4.04Å; F128-I132 HydrophobicContact CG-CG1 4.43Å; F128-I132 HydrophobicContact CZ-CD1 3.93Å; F128-I132 HydrophobicContact CZ-CG1 3.6Å; F128-I132 WeakPolarHBondContact O-CG1 3.19Å; F128-I132 PolarHBondContact O-N 2.88Å; F128-L174 HydrophobicContact CD1-CD1 3.53Å; F128-L174 HydrophobicContact CE1-CD1 3.71Å; F128-L178 HydrophobicContact CE1-CD1 4.32Å
129	A	98.4	Very high	96.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-41.5	-178.6	0	0	0	0	0	112.1	I125 R126 R131 I132 I133 L177 L178	I125-A129 WeakPolarHBondContact O-CB 3.25Å; I125-A129 PolarHBondContact O-N 3.44Å; R126-A129 PolarHBondContact O-N 3.28Å; A129-R131 PolarHBondContact O-N 3.12Å; A129-I132 PolarHBondContact O-N 3.15Å; A129-I133 HydrophobicContact CB-CD1 4.39Å; A129-I133 WeakPolarHBondContact O-CB 3.42Å; A129-I133 WeakPolarHBondContact O-CD1 3.46Å; A129-I133 WeakPolarHBondContact O-CG1 3.24Å; A129-I133 PolarHBondContact O-N 3.42Å; A129-L177 HydrophobicContact CB-CB 3.64Å; A129-L177 HydrophobicContact CB-CD1 3.99Å; A129-L177 HydrophobicContact CB-CG 4.43Å; A129-L178 HydrophobicContact CB-CD2 4.17Å
130	N	98.1	Very high	96.4	Very high	101 Å²	101	56.7 Å²	56.7	54%	0.54	27%	0.267	S	S	.	.	H	α-helix	trans	-62.8	-41.8	176.6	-71.4	-18.9	0	0	0	112.4	R126 E127 F128 I132 S134	R126-N130 WeakPolarHBondContact O-CB 3.45Å; R126-N130 PolarHBondContact O-N 3.48Å; R126-N130 PolarHBondContact O-ND2 2.85Å; E127-N130 PolarHBondContact O-N 3.3Å; F128-N130 VanDerWaalsContact C-N 3.29Å; F128-N130 PolarHBondContact O-N 3.1Å; N130-I132 VanDerWaalsContact C-N 3.32Å; N130-I132 PolarHBondContact O-N 3.46Å; N130-S134 WeakPolarHBondContact O-CB 2.81Å; N130-S134 PolarHBondContact O-N 2.9Å; N130-S134 VanDerWaalsContact O-N 3.08Å; N130-S134 PolarHBondContact O-OG 2.91Å
131	R	97.9	Very high	96.6	Very high	59 Å²	59	54.5 Å²	54.5	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-39.2	175.3	-70	-168.5	-52.4	-88.8	2.8	111.7	E115 E116 E127 F128 A129 S134 R135	E115-R131 IonicContact OE2-CZ 3.17Å; E115-R131 IonicContact OE2-NE 3.73Å; E115-R131 PolarHBondContact OE2-NE 3.32Å; E115-R131 IonicContact OE2-NH2 2.69Å; E115-R131 PolarHBondContact OE2-NH2 3.49Å; E116-R131 PolarHBondContact O-NH2 2.83Å; E127-R131 WeakPolarHBondContact O-CG 3.19Å; E127-R131 PolarHBondContact O-N 2.9Å; E127-R131 VanDerWaalsContact O-N 3.09Å; E127-R131 PolarHBondContact O-NH1 3.38Å; F128-R131 PolarHBondContact O-N 3.37Å; F128-R131 VanDerWaalsContact O-N 3.1Å; A129-R131 PolarHBondContact O-N 3.12Å; R131-S134 PolarHBondContact O-OG 2.61Å; R131-R135 WeakPolarHBondContact O-CD 3.46Å; R131-R135 VanDerWaalsContact O-CG 3.26Å; R131-R135 WeakPolarHBondContact O-CG 3.4Å; R131-R135 PolarHBondContact O-N 3.1Å
132	I	98	Very high	96.7	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-68.4	-51.4	177.5	-65	-51.5	0	0	0	111.1	I51 I75 E115 F128 A129 N130 S134 R135 E136 I139 L178	I51-I132 HydrophobicContact CD1-CG1 4.29Å; I51-I132 HydrophobicContact CD1-CG2 3.96Å; I75-I132 HydrophobicContact CD1-CD1 3.79Å; I75-I132 HydrophobicContact CG2-CD1 4.05Å; E115-I132 HydrophobicContact CG-CD1 4.47Å; F128-I132 HydrophobicContact CD1-CG1 4.03Å; F128-I132 HydrophobicContact CD2-CG1 4.42Å; F128-I132 HydrophobicContact CE1-CD1 4.43Å; F128-I132 HydrophobicContact CE1-CG1 3.59Å; F128-I132 HydrophobicContact CE2-CD1 4.13Å; F128-I132 HydrophobicContact CE2-CG1 4.04Å; F128-I132 HydrophobicContact CG-CG1 4.43Å; F128-I132 HydrophobicContact CZ-CD1 3.93Å; F128-I132 HydrophobicContact CZ-CG1 3.6Å; F128-I132 WeakPolarHBondContact O-CG1 3.19Å; F128-I132 PolarHBondContact O-N 2.88Å; A129-I132 PolarHBondContact O-N 3.15Å; N130-I132 VanDerWaalsContact C-N 3.32Å; N130-I132 PolarHBondContact O-N 3.46Å; I132-S134 PolarHBondContact O-N 2.7Å; I132-R135 PolarHBondContact O-N 3.41Å; I132-E136 HydrophobicContact CG2-CB 4.22Å; I132-E136 HydrophobicContact CG2-CG 4.04Å; I132-E136 WeakPolarHBondContact O-CB 3.44Å; I132-E136 PolarHBondContact O-N 3.28Å; I132-I139 HydrophobicContact CG2-CD1 3.19Å; I132-I139 HydrophobicContact CG2-CG1 4.48Å; I132-L178 HydrophobicContact CB-CD2 3.92Å; I132-L178 HydrophobicContact CG2-CD2 3.66Å
133	I	96.8	Very high	96.9	Very high	65 Å²	65	52.1 Å²	52.1	33%	0.333	24%	0.241	S	C	.	.	H	α-helix	trans	-61.4	-33.4	-177	-65.8	160.5	0	0	0	111.8	A129 R135 L177 L178	A129-I133 HydrophobicContact CB-CD1 4.39Å; A129-I133 WeakPolarHBondContact O-CB 3.42Å; A129-I133 WeakPolarHBondContact O-CD1 3.46Å; A129-I133 WeakPolarHBondContact O-CG1 3.24Å; A129-I133 PolarHBondContact O-N 3.42Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.06Å; I133-L177 WeakPolarHBondContact CD1-O 3.31Å; I133-L178 HydrophobicContact CG1-CD2 4.42Å
134	S	96.7	Very high	97	Very high	94 Å²	94	43.6 Å²	43.6	66%	0.657	21%	0.208	S	C	*	.	H	α-helix	trans	-73.5	-19.6	177.4	56.7	0	0	0	0	114.3	N130 R131 I132	N130-S134 WeakPolarHBondContact O-CB 2.81Å; N130-S134 PolarHBondContact O-N 2.9Å; N130-S134 VanDerWaalsContact O-N 3.08Å; N130-S134 PolarHBondContact O-OG 2.91Å; R131-S134 PolarHBondContact O-OG 2.61Å; I132-S134 PolarHBondContact O-N 2.7Å
135	R	95.4	Very high	97.1	Very high	143 Å²	143	43.9 Å²	43.9	54%	0.54	21%	0.209	S	C	.	.	H	α-helix	trans	-111	-35.9	-174.7	-63.7	174	-170.4	171	5.6	113.2	E115 R131 I132 I133	E115-R135 IonicContact OE1-CZ 3.94Å; E115-R135 IonicContact OE1-NH1 3.9Å; E115-R135 PolarHBondContact OE1-NH1 3.44Å; R131-R135 WeakPolarHBondContact O-CD 3.46Å; R131-R135 VanDerWaalsContact O-CG 3.26Å; R131-R135 WeakPolarHBondContact O-CG 3.4Å; R131-R135 PolarHBondContact O-N 3.1Å; I132-R135 PolarHBondContact O-N 3.41Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.06Å
136	E	94.8	Very high	96.9	Very high	23 Å²	23	44.4 Å²	44.4	11%	0.107	21%	0.214	C	C	.	.			trans	-105.4	117.9	-169.3	-54.4	-56.2	152.4	0	0	111.2	R73 I75 I132 I139 C181	R73-E136 IonicContact CZ-OE1 3.55Å; R73-E136 IonicContact CZ-OE2 2.94Å; R73-E136 IonicContact NH1-OE1 3.37Å; R73-E136 PolarHBondContact NH1-OE1 3.2Å; R73-E136 IonicContact NH1-OE2 3.86Å; R73-E136 PolarHBondContact NH1-OE2 2.74Å; R73-E136 IonicContact NH2-OE1 2.82Å; R73-E136 PolarHBondContact NH2-OE1 3.1Å; R73-E136 IonicContact NH2-OE2 3.18Å; I75-E136 HydrophobicContact CD1-CG 3.97Å; I132-E136 HydrophobicContact CG2-CB 4.22Å; I132-E136 HydrophobicContact CG2-CG 4.04Å; I132-E136 WeakPolarHBondContact O-CB 3.44Å; I132-E136 PolarHBondContact O-N 3.28Å; E136-I139 HydrophobicContact CB-CD1 4.18Å; E136-I139 HydrophobicContact CB-CG1 4.03Å; E136-C181 PolarHBondContact O-SG 3.47Å; E136-C181 VanDerWaalsContact O-SG 3.37Å
137	K	89.6	Confident	96.7	Very high	194 Å²	194	41 Å²	41	84%	0.843	21%	0.21	S	C	*	.	S	Bend	trans	-74.2	-31	177.1	-63.9	-175.8	-179.7	177.3	0	113
138	S	93.8	Very high	96.4	Very high	34 Å²	34	38.3 Å²	38.3	24%	0.238	20%	0.201	C	C	.	.			trans	-152.5	134.8	-176.1	-174.5	0	0	0	0	110.6	K183	S138-K183 PolarHBondContact OG-O 3.33Å
139	I	96.7	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.			trans	-125.9	87.7	175.1	-55.2	172.2	0	0	0	106.6	I51 I132 E136 I141 C181 L182 C190	I51-I139 HydrophobicContact CD1-CD1 3.53Å; I51-I139 HydrophobicContact CD1-CG2 4.11Å; I51-I139 HydrophobicContact CG1-CD1 4.41Å; I51-I139 HydrophobicContact CG1-CG2 4.1Å; I132-I139 HydrophobicContact CG2-CD1 3.19Å; I132-I139 HydrophobicContact CG2-CG1 4.48Å; E136-I139 HydrophobicContact CB-CD1 4.18Å; E136-I139 HydrophobicContact CB-CG1 4.03Å; I139-I141 WeakPolarHBondContact CG2-O 3.22Å; I139-I141 PolarHBondContact O-N 2.98Å; I139-C181 HydrophobicContact CD1-CB 3.86Å; I139-C181 HydrophobicContact CG1-CB 4.13Å; I139-C181 PolarHBondContact N-O 3.32Å; I139-L182 HydrophobicContact CB-CD2 4.43Å; I139-L182 HydrophobicContact CG2-CD2 4.43Å; I139-C190 PolarHBondContact O-SG 3.4Å; I139-C190 VanDerWaalsContact O-SG 3.35Å
140	P	96.6	Very high	95.4	Very high	8 Å²	8	42 Å²	42	5%	0.052	22%	0.219	C	C	.	.	S	Bend	trans	-66.7	-20.4	-177.7	23.7	-35.3	0	0	0	113.5	K48 T49 C190 R191	K48-P140 HydrophobicContact CB-CG 3.78Å; K48-P140 HydrophobicContact CD-CG 4.37Å; K48-P140 HydrophobicContact CG-CG 4.01Å; T49-P140 VanDerWaalsContact O-CD 3.24Å; T49-P140 WeakPolarHBondContact O-CD 3.33Å; P140-C190 CarbonylContact O-C 3.53Å; P140-C190 WeakPolarHBondContact O-CA 3.1Å; P140-C190 PolarHBondContact O-SG 3.46Å; P140-R191 PolarHBondContact O-N 3.35Å
141	I	98.1	Very high	94.5	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	123.6	-180	-49.3	176.6	0	0	0	110.8	L45 V50 I51 I139 I143 R191 I193 A289	L45-I141 HydrophobicContact CD1-CD1 4.41Å; L45-I141 HydrophobicContact CD2-CD1 3.82Å; V50-I141 WeakPolarHBondContact CA-O 3.08Å; V50-I141 HydrophobicContact CB-CB 4.36Å; V50-I141 HydrophobicContact CG1-CB 3.88Å; V50-I141 HydrophobicContact CG1-CG2 3.87Å; V50-I141 HydrophobicContact CG2-CB 3.95Å; V50-I141 HydrophobicContact CG2-CD1 4.09Å; V50-I141 HydrophobicContact CG2-CG1 4.36Å; I51-I141 PolarHBondContact N-O 3.27Å; I139-I141 WeakPolarHBondContact CG2-O 3.22Å; I139-I141 PolarHBondContact O-N 2.98Å; I141-I143 HydrophobicContact CG2-CD1 4.25Å; I141-I143 HydrophobicContact CG2-CG1 3.87Å; I141-R191 CarbonylContact C-O 3.5Å; I141-R191 WeakPolarHBondContact CA-O 3.05Å; I141-R191 HydrophobicContact CG1-CB 4.45Å; I141-R191 HydrophobicContact CG2-CB 4.47Å; I141-I193 HydrophobicContact CG2-CD1 4.17Å; I141-A289 HydrophobicContact CD1-CB 4.34Å; I141-A289 WeakPolarHBondContact CD1-O 3.26Å; I141-A289 HydrophobicContact CG2-CB 4.47Å
142	L	98.7	Very high	94	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.9	169.6	171.8	62.9	0	0	0	109.6	I51 T175 L178 L182 R191 V192 I193	I51-L142 HydrophobicContact CB-CD1 3.77Å; I51-L142 HydrophobicContact CG2-CD1 3.67Å; L142-T175 HydrophobicContact CD2-CG2 4.22Å; L142-L178 HydrophobicContact CD1-CD1 4.23Å; L142-L178 HydrophobicContact CD2-CD1 4.29Å; L142-L182 HydrophobicContact CB-CD2 3.83Å; L142-L182 HydrophobicContact CD2-CD1 4.33Å; L142-L182 HydrophobicContact CD2-CD2 4.25Å; L142-R191 PolarHBondContact N-O 3.38Å; L142-V192 HydrophobicContact CB-CG2 4.45Å; L142-V192 HydrophobicContact CD2-CG1 4.32Å; L142-V192 CarbonylContact O-C 3.43Å; L142-V192 WeakPolarHBondContact O-CA 3.32Å; L142-I193 PolarHBondContact O-N 2.77Å
143	I	98.9	Very high	93.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	101.9	179	-50.6	-172.9	0	0	0	109.5	V50 I51 V52 T53 T63 L67 I141 N145 I193 L195 T285	V50-I143 HydrophobicContact CG1-CD1 4.14Å; V50-I143 HydrophobicContact CG1-CG1 4.22Å; I51-I143 PolarHBondContact O-N 2.9Å; V52-I143 HydrophobicContact CB-CB 4.49Å; V52-I143 HydrophobicContact CG1-CB 4.27Å; V52-I143 HydrophobicContact CG1-CG2 4.33Å; V52-I143 HydrophobicContact CG2-CB 4.24Å; V52-I143 HydrophobicContact CG2-CD1 4.1Å; V52-I143 HydrophobicContact CG2-CG1 4.4Å; T53-I143 PolarHBondContact N-O 3.41Å; T53-I143 PolarHBondContact OG1-O 3.47Å; T63-I143 HydrophobicContact CG2-CD1 3.81Å; L67-I143 HydrophobicContact CD1-CD1 3.51Å; I141-I143 HydrophobicContact CG2-CD1 4.25Å; I141-I143 HydrophobicContact CG2-CG1 3.87Å; I143-N145 HydrophobicContact CG2-CB 3.91Å; I143-N145 PolarHBondContact O-N 3.37Å; I143-I193 WeakPolarHBondContact CA-O 3.16Å; I143-I193 HydrophobicContact CD1-CD1 4.43Å; I143-I193 HydrophobicContact CG1-CB 4.45Å; I143-I193 HydrophobicContact CG1-CD1 4.29Å; I143-L195 HydrophobicContact CG2-CD2 4.07Å; I143-T285 HydrophobicContact CD1-CG2 4.02Å; I143-T285 HydrophobicContact CG2-CG2 3.63Å
144	N	98.8	Very high	93.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	72.8	172.9	-70.2	-24.5	0	0	0	109.2	H171 T175 I193 I194 L195	N144-H171 HydrophobicContact CB-CB 4.29Å; N144-H171 VanDerWaalsContact CG-CD2 3.47Å; N144-H171 PolarHBondContact OD1-CD2 3Å; N144-H171 VanDerWaalsContact OD1-CD2 3.25Å; N144-T175 PolarHBondContact ND2-OG1 2.88Å; N144-I193 PolarHBondContact N-O 2.58Å; N144-I194 HydrophobicContact CB-CB 4.45Å; N144-I194 HydrophobicContact CB-CG1 4.31Å; N144-I194 HydrophobicContact CB-CG2 4.19Å; N144-L195 PolarHBondContact O-N 3.35Å
145	N	98.4	Very high	93.4	Very high	17 Å²	17	51.2 Å²	51.2	9%	0.091	25%	0.254	C	S	.	.			trans	-89.5	-34.5	-174.7	158.9	86.9	0	0	0	113.6	V52 T53 G54 G60 I143 L195	V52-N145 HydrophobicContact CG1-CB 4.17Å; T53-N145 WeakPolarHBondContact O-CB 3.5Å; T53-N145 PolarHBondContact O-ND2 3.28Å; T53-N145 PolarHBondContact OG1-N 2.88Å; G54-N145 PolarHBondContact O-ND2 3.01Å; G54-N145 VanDerWaalsContact O-ND2 3.08Å; G60-N145 WeakPolarHBondContact CA-ND2 3.23Å; I143-N145 HydrophobicContact CG2-CB 3.91Å; I143-N145 PolarHBondContact O-N 3.37Å; N145-L195 HydrophobicContact CB-CD2 4.07Å; N145-L195 HydrophobicContact CB-CG 4.21Å
146	A	95.8	Very high	93.3	Very high	12 Å²	12	46.2 Å²	46.2	10%	0.099	24%	0.238	C	C	.	.			trans	-53.3	147.3	-173.8	0	0	0	0	0	112.4	T53 L119 H171	T53-A146 PolarHBondContact O-N 2.99Å; T53-A146 VanDerWaalsContact O-N 3.15Å; T53-A146 WeakPolarHBondContact OG1-CB 3.27Å; T53-A146 PolarHBondContact OG1-N 3.29Å; L119-A146 HydrophobicContact CD1-CB 3.37Å; A146-H171 PolarHBondContact O-CE1 3.02Å; A146-H171 VanDerWaalsContact O-CE1 3.25Å
147	G	93.5	Very high	93.1	Very high	28 Å²	28	52.8 Å²	52.8	29%	0.289	27%	0.268	S	S	.	.			trans	-166.7	149	175.5	0	0	0	0	0	112.1	N167	G147-N167 VanDerWaalsContact CA-OD1 3.23Å; G147-N167 WeakPolarHBondContact CA-OD1 3.47Å
148	A	90.7	Very high	93.1	Very high	21 Å²	21	44.8 Å²	44.8	17%	0.174	24%	0.235	C	C	.	.			trans	-125.8	141.6	175.2	0	0	0	0	0	110.2	F150 H163 V166 N167 Y219	A148-F150 HydrophobicContact CB-CE1 4.14Å; A148-F150 HydrophobicContact CB-CE2 3.7Å; A148-F150 HydrophobicContact CB-CZ 3.46Å; A148-F150 VanDerWaalsContact CB-CZ 3.46Å; A148-H163 PolarHBondContact O-CD2 2.88Å; A148-V166 HydrophobicContact CB-CB 4.43Å; A148-V166 HydrophobicContact CB-CG1 4Å; A148-N167 PolarHBondContact N-OD1 3.03Å; A148-N167 PolarHBondContact O-ND2 3.48Å; A148-N167 PolarHBondContact O-OD1 3.27Å; A148-Y219 WeakPolarHBondContact O-CD2 3.37Å
149	D	88.5	Confident	93.1	Very high	37 Å²	37	44.5 Å²	44.5	20%	0.198	24%	0.237	C	C	.	.			trans	-123.3	118.3	170.9	-169.9	20.1	0	0	0	107.6	H163 Y219 I256	D149-H163 IonicContact OD1-NE2 3.97Å; D149-H163 PolarHBondContact OD1-NE2 2.92Å; D149-Y219 HydrophobicContact CB-CD2 3.87Å; D149-Y219 HydrophobicContact CB-CE2 4.17Å; D149-Y219 HydrophobicContact CB-CG 4.22Å; D149-Y219 VanDerWaalsContact OD1-CB 3.23Å; D149-Y219 WeakPolarHBondContact OD1-CB 3.49Å; D149-I256 HydrophobicContact CB-CG2 3.48Å; D149-I256 VanDerWaalsContact CB-CG2 3.48Å
150	F	88.1	Confident	93	Very high	42 Å²	42	44.5 Å²	44.5	18%	0.184	24%	0.237	C	C	.	.			trans	-105.3	147.7	-179.5	-51.7	-76.1	0	0	0	108.8	A148 E152 I154 K162 H163 V166	A148-F150 HydrophobicContact CB-CE1 4.14Å; A148-F150 HydrophobicContact CB-CE2 3.7Å; A148-F150 HydrophobicContact CB-CZ 3.46Å; A148-F150 VanDerWaalsContact CB-CZ 3.46Å; F150-E152 PolarHBondContact O-N 3.26Å; F150-E152 VanDerWaalsContact O-N 3.08Å; F150-I154 HydrophobicContact CB-CD1 4.41Å; F150-K162 HydrophobicContact CD1-CD 4.17Å; F150-K162 HydrophobicContact CD2-CB 4.3Å; F150-K162 HydrophobicContact CD2-CD 4.03Å; F150-K162 HydrophobicContact CD2-CG 4.13Å; F150-K162 HydrophobicContact CE1-CD 3.9Å; F150-K162 HydrophobicContact CE2-CB 4.14Å; F150-K162 HydrophobicContact CE2-CD 3.75Å; F150-K162 HydrophobicContact CE2-CG 3.61Å; F150-K162 HydrophobicContact CG-CD 4.24Å; F150-K162 HydrophobicContact CZ-CD 3.69Å; F150-K162 HydrophobicContact CZ-CG 3.85Å; F150-H163 AromaticContact CD2-CD2 3.69Å; F150-H163 AromaticContact CD2-CE1 3.73Å; F150-H163 AromaticContact CD2-CG 3.79Å; F150-H163 AromaticContact CD2-ND1 3.81Å; F150-H163 AromaticContact CD2-NE2 3.68Å; F150-H163 PolarHBondContact N-NE2 2.87Å; F150-H163 PolarHBondContact O-NE2 2.67Å; F150-V166 HydrophobicContact CZ-CG2 4.43Å
151	P	79.4	Confident	92.9	Very high	103 Å²	103	44.8 Å²	44.8	67%	0.669	24%	0.238	S	C	*	.	S	Bend	trans	-57.5	-28.5	-176.3	-26.9	35.8	0	0	0	114.7
152	E	86.9	Confident	92.7	Very high	136 Å²	136	47 Å²	47	64%	0.636	25%	0.247	S	C	*	.	S	Bend	trans	-143.7	167.4	-176.1	64.2	-163.4	156.5	0	0	110.9	F150 I154 H163	F150-E152 PolarHBondContact O-N 3.26Å; F150-E152 VanDerWaalsContact O-N 3.08Å; E152-I154 HydrophobicContact CG-CG1 4.06Å; E152-I154 PolarHBondContact O-N 3.46Å; E152-H163 PolarHBondContact O-CE1 3.48Å
153	K	91.6	Very high	92.6	Very high	76 Å²	76	47.2 Å²	47.2	33%	0.33	25%	0.248	S	C	.	.			trans	-73.4	120.3	172.4	-67.3	-177.4	-177.4	176.5	0	108.2	Y155 E161 G216	K153-Y155 HydrophobicContact CB-CE2 3.8Å; K153-E161 WeakPolarHBondContact CA-OE1 3.45Å; K153-E161 HydrophobicContact CB-CG 4.12Å; K153-E161 HydrophobicContact CG-CG 4.31Å; K153-G216 WeakPolarHBondContact CE-O 3.38Å; K153-G216 PolarHBondContact NZ-O 3.38Å
154	I	93.6	Very high	92.4	Very high	69 Å²	69	47.3 Å²	47.3	35%	0.354	25%	0.249	S	C	.	.			trans	-114.4	132.8	177.7	-58.9	168.8	0	0	0	106.5	F150 E152 E161 K162	F150-I154 HydrophobicContact CB-CD1 4.41Å; E152-I154 HydrophobicContact CG-CG1 4.06Å; E152-I154 PolarHBondContact O-N 3.46Å; I154-E161 CarbonylContact O-C 3.47Å; I154-E161 WeakPolarHBondContact O-CA 3.25Å; I154-K162 HydrophobicContact CB-CB 4.06Å; I154-K162 HydrophobicContact CB-CD 4.17Å; I154-K162 HydrophobicContact CD1-CD 4.17Å; I154-K162 HydrophobicContact CG2-CD 4.29Å; I154-K162 WeakPolarHBondContact O-CB 3.4Å; I154-K162 PolarHBondContact O-N 3.44Å
155	Y	94.4	Very high	92.2	Very high	129 Å²	129	48.3 Å²	48.3	51%	0.506	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-114.1	143.8	-179.3	-61.5	-90.7	0	0	0	109.4	K153 G159 E161	K153-Y155 HydrophobicContact CB-CE2 3.8Å; Y155-G159 WeakPolarHBondContact CD1-O 3.4Å; Y155-E161 HydrophobicContact CD1-CB 3.92Å; Y155-E161 HydrophobicContact CD1-CG 4.2Å; Y155-E161 HydrophobicContact CE1-CB 3.68Å; Y155-E161 HydrophobicContact CE1-CG 3.77Å
156	D	91.8	Very high	92.1	Very high	38 Å²	38	48.2 Å²	48.2	20%	0.203	25%	0.253	C	S	.	.			trans	-88	-173.6	173.5	69	5.6	0	0	0	112.3	L158 G159 I160 K165	D156-L158 PolarHBondContact O-N 3.29Å; D156-L158 WeakPolarHBondContact OD1-CA 3.29Å; D156-L158 WeakPolarHBondContact OD1-CB 3.3Å; D156-L158 PolarHBondContact OD1-N 3.48Å; D156-G159 PolarHBondContact O-N 3.09Å; D156-G159 PolarHBondContact OD1-N 2.91Å; D156-G159 VanDerWaalsContact OD1-N 3.09Å; D156-I160 PolarHBondContact N-O 2.89Å; D156-I160 VanDerWaalsContact N-O 3.15Å; D156-I160 PolarHBondContact OD1-N 3.36Å; D156-K165 WeakPolarHBondContact OD2-CD 3.05Å; D156-K165 WeakPolarHBondContact OD2-CE 3.42Å; D156-K165 IonicContact OD2-NZ 3.75Å; D156-K165 PolarHBondContact OD2-NZ 3.11Å
157	E	91.1	Very high	92.2	Very high	161 Å²	161	47.7 Å²	47.7	75%	0.752	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.3	-179.9	-58.1	102.3	177	0	0	113.7	G159 F335	E157-G159 VanDerWaalsContact C-N 3.3Å; E157-F335 HydrophobicContact CB-CE1 4.45Å; E157-F335 HydrophobicContact CB-CZ 3.95Å; E157-F335 HydrophobicContact CG-CZ 4.48Å
158	L	90.9	Very high	92.4	Very high	27 Å²	27	46.4 Å²	46.4	14%	0.141	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-5.8	174.7	-64.9	176.5	0	0	0	112.3	D156 I160 F211 E331 W332 F335	D156-L158 PolarHBondContact O-N 3.29Å; D156-L158 WeakPolarHBondContact OD1-CA 3.29Å; D156-L158 WeakPolarHBondContact OD1-CB 3.3Å; D156-L158 PolarHBondContact OD1-N 3.48Å; L158-I160 VanDerWaalsContact C-N 3.28Å; L158-I160 HydrophobicContact CB-CD1 4.16Å; L158-I160 HydrophobicContact CB-CG1 3.93Å; L158-I160 HydrophobicContact CD1-CD1 4.05Å; L158-F211 WeakPolarHBondContact O-CE1 3.42Å; L158-E331 HydrophobicContact CD1-CG 4.37Å; L158-E331 HydrophobicContact CD2-CG 4.23Å; L158-W332 HydrophobicContact CD1-CB 4.42Å; L158-F335 HydrophobicContact CD1-CB 3.75Å; L158-F335 HydrophobicContact CD1-CD1 4.37Å; L158-F335 HydrophobicContact CD1-CG 4.02Å; L158-F335 HydrophobicContact CD2-CB 4.1Å; L158-F335 HydrophobicContact CD2-CD2 3.62Å; L158-F335 HydrophobicContact CD2-CE2 4.18Å; L158-F335 HydrophobicContact CD2-CG 3.89Å; L158-F335 HydrophobicContact CG-CB 4.26Å; L158-F335 HydrophobicContact CG-CD1 4.35Å; L158-F335 HydrophobicContact CG-CD2 4.19Å; L158-F335 HydrophobicContact CG-CG 4.02Å
159	G	92.6	Very high	92.7	Very high	28 Å²	28	45.4 Å²	45.4	29%	0.289	23%	0.227	S	C	.	.			trans	76.8	14	-173.2	0	0	0	0	0	113.6	Y155 D156 E157	Y155-G159 WeakPolarHBondContact CD1-O 3.4Å; D156-G159 PolarHBondContact O-N 3.09Å; D156-G159 PolarHBondContact OD1-N 2.91Å; D156-G159 VanDerWaalsContact OD1-N 3.09Å; E157-G159 VanDerWaalsContact C-N 3.3Å
160	I	94	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.			trans	-82	128.8	175.9	-52.6	179.1	0	0	0	108.9	D156 L158 L164 K165 L169 F211 L328 W332	D156-I160 PolarHBondContact N-O 2.89Å; D156-I160 VanDerWaalsContact N-O 3.15Å; D156-I160 PolarHBondContact OD1-N 3.36Å; L158-I160 VanDerWaalsContact C-N 3.28Å; L158-I160 HydrophobicContact CB-CD1 4.16Å; L158-I160 HydrophobicContact CB-CG1 3.93Å; L158-I160 HydrophobicContact CD1-CD1 4.05Å; I160-L164 HydrophobicContact CG2-CD2 4.32Å; I160-L164 HydrophobicContact CG2-CG 4.49Å; I160-K165 HydrophobicContact CB-CD 4.29Å; I160-K165 HydrophobicContact CB-CG 4.19Å; I160-K165 HydrophobicContact CG2-CD 4.14Å; I160-K165 HydrophobicContact CG2-CG 3.49Å; I160-K165 VanDerWaalsContact CG2-CG 3.49Å; I160-L169 HydrophobicContact CG2-CD1 3.56Å; I160-F211 HydrophobicContact CG1-CD1 4.44Å; I160-F211 HydrophobicContact CG1-CE1 4.49Å; I160-L328 HydrophobicContact CD1-CD2 4.27Å; I160-L328 HydrophobicContact CG1-CD2 4.25Å; I160-W332 HydrophobicContact CD1-CB 4.12Å; I160-W332 HydrophobicContact CD1-CG 4.5Å
161	E	94.7	Very high	93.7	Very high	14 Å²	14	41.6 Å²	41.6	7%	0.065	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-72.6	136.1	-178.5	-160.1	-74.3	141.6	0	0	111.3	K153 I154 Y155 H163 L164 K165	K153-E161 WeakPolarHBondContact CA-OE1 3.45Å; K153-E161 HydrophobicContact CB-CG 4.12Å; K153-E161 HydrophobicContact CG-CG 4.31Å; I154-E161 CarbonylContact O-C 3.47Å; I154-E161 WeakPolarHBondContact O-CA 3.25Å; Y155-E161 HydrophobicContact CD1-CB 3.92Å; Y155-E161 HydrophobicContact CD1-CG 4.2Å; Y155-E161 HydrophobicContact CE1-CB 3.68Å; Y155-E161 HydrophobicContact CE1-CG 3.77Å; E161-H163 PolarHBondContact O-N 3.28Å; E161-H163 IonicContact OE1-CE1 2.73Å; E161-H163 IonicContact OE1-CG 2.86Å; E161-H163 PolarHBondContact OE1-N 3.1Å; E161-H163 IonicContact OE1-ND1 2.58Å; E161-H163 PolarHBondContact OE1-ND1 3.24Å; E161-H163 WeakPolarHBondContact OE2-CA 3.26Å; E161-H163 WeakPolarHBondContact OE2-CB 3.38Å; E161-H163 IonicContact OE2-CG 2.75Å; E161-H163 PolarHBondContact OE2-N 3.48Å; E161-H163 IonicContact OE2-ND1 2.67Å; E161-H163 PolarHBondContact OE2-ND1 2.75Å; E161-L164 HydrophobicContact CB-CB 4.23Å; E161-L164 WeakPolarHBondContact O-CA 3.46Å; E161-L164 VanDerWaalsContact O-CB 3.24Å; E161-L164 WeakPolarHBondContact O-CB 3.36Å; E161-L164 PolarHBondContact O-N 3.49Å; E161-L164 PolarHBondContact OE2-N 2.88Å; E161-K165 PolarHBondContact O-N 3.19Å
162	K	95.1	Very high	94.6	Very high	50 Å²	50	36.8 Å²	36.8	22%	0.217	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-35.5	-169.6	-166.3	-174.1	174.4	79.9	0	113.8	E120 F150 I154 L164 K165 V166	E120-K162 VanDerWaalsContact CD-NZ 3.32Å; E120-K162 IonicContact OE1-NZ 3.61Å; E120-K162 PolarHBondContact OE1-NZ 2.86Å; E120-K162 IonicContact OE2-NZ 3.43Å; E120-K162 PolarHBondContact OE2-NZ 2.97Å; F150-K162 HydrophobicContact CD1-CD 4.17Å; F150-K162 HydrophobicContact CD2-CB 4.3Å; F150-K162 HydrophobicContact CD2-CD 4.03Å; F150-K162 HydrophobicContact CD2-CG 4.13Å; F150-K162 HydrophobicContact CE1-CD 3.9Å; F150-K162 HydrophobicContact CE2-CB 4.14Å; F150-K162 HydrophobicContact CE2-CD 3.75Å; F150-K162 HydrophobicContact CE2-CG 3.61Å; F150-K162 HydrophobicContact CG-CD 4.24Å; F150-K162 HydrophobicContact CZ-CD 3.69Å; F150-K162 HydrophobicContact CZ-CG 3.85Å; I154-K162 HydrophobicContact CB-CB 4.06Å; I154-K162 HydrophobicContact CB-CD 4.17Å; I154-K162 HydrophobicContact CD1-CD 4.17Å; I154-K162 HydrophobicContact CG2-CD 4.29Å; I154-K162 WeakPolarHBondContact O-CB 3.4Å; I154-K162 PolarHBondContact O-N 3.44Å; K162-L164 VanDerWaalsContact C-N 3.33Å; K162-K165 PolarHBondContact O-N 3.36Å; K162-V166 PolarHBondContact O-N 3.25Å
163	H	95.5	Very high	95.2	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-41.3	172.3	-57.5	83	0	0	0	110.8	A148 D149 F150 E152 E161 K165 V166 N167 Y219	A148-H163 PolarHBondContact O-CD2 2.88Å; D149-H163 IonicContact OD1-NE2 3.97Å; D149-H163 PolarHBondContact OD1-NE2 2.92Å; F150-H163 AromaticContact CD2-CD2 3.69Å; F150-H163 AromaticContact CD2-CE1 3.73Å; F150-H163 AromaticContact CD2-CG 3.79Å; F150-H163 AromaticContact CD2-ND1 3.81Å; F150-H163 AromaticContact CD2-NE2 3.68Å; F150-H163 PolarHBondContact N-NE2 2.87Å; F150-H163 PolarHBondContact O-NE2 2.67Å; E152-H163 PolarHBondContact O-CE1 3.48Å; E161-H163 PolarHBondContact O-N 3.28Å; E161-H163 IonicContact OE1-CE1 2.73Å; E161-H163 IonicContact OE1-CG 2.86Å; E161-H163 PolarHBondContact OE1-N 3.1Å; E161-H163 IonicContact OE1-ND1 2.58Å; E161-H163 PolarHBondContact OE1-ND1 3.24Å; E161-H163 WeakPolarHBondContact OE2-CA 3.26Å; E161-H163 WeakPolarHBondContact OE2-CB 3.38Å; E161-H163 IonicContact OE2-CG 2.75Å; E161-H163 PolarHBondContact OE2-N 3.48Å; E161-H163 IonicContact OE2-ND1 2.67Å; E161-H163 PolarHBondContact OE2-ND1 2.75Å; H163-K165 VanDerWaalsContact C-N 3.34Å; H163-K165 PolarHBondContact O-N 3.18Å; H163-V166 PolarHBondContact O-N 3.48Å; H163-N167 WeakPolarHBondContact O-CB 3.38Å; H163-N167 PolarHBondContact O-N 2.88Å; H163-Y219 PolarHBondContact CD2-N 2.95Å
164	L	95.7	Very high	95.5	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-58.7	-44.6	176.2	175	59	0	0	0	111.3	I160 E161 K162 H168 L169 L212 M225 L328	I160-L164 HydrophobicContact CG2-CD2 4.32Å; I160-L164 HydrophobicContact CG2-CG 4.49Å; E161-L164 HydrophobicContact CB-CB 4.23Å; E161-L164 WeakPolarHBondContact O-CA 3.46Å; E161-L164 VanDerWaalsContact O-CB 3.24Å; E161-L164 WeakPolarHBondContact O-CB 3.36Å; E161-L164 PolarHBondContact O-N 3.49Å; E161-L164 PolarHBondContact OE2-N 2.88Å; K162-L164 VanDerWaalsContact C-N 3.33Å; L164-H168 HydrophobicContact CD1-CB 3.93Å; L164-H168 PolarHBondContact O-N 2.99Å; L164-L169 HydrophobicContact CD1-CD2 4.44Å; L164-L169 HydrophobicContact CD1-CG 4.03Å; L164-L169 HydrophobicContact CD2-CD1 4.35Å; L164-L169 HydrophobicContact CG-CD1 3.91Å; L164-L169 HydrophobicContact CG-CG 3.92Å; L164-L169 PolarHBondContact O-N 3.37Å; L164-L212 HydrophobicContact CD1-CD1 4.25Å; L164-L212 HydrophobicContact CD2-CB 4.02Å; L164-L212 HydrophobicContact CD2-CD1 4.31Å; L164-M225 HydrophobicContact CD1-CE 3.66Å; L164-M225 HydrophobicContact CD1-SD 3.27Å; L164-M225 WeakPolarHBondContact CD1-SD 3.5Å; L164-M225 HydrophobicContact CD2-CE 4.39Å; L164-L328 HydrophobicContact CD2-CD1 4.42Å
165	K	95.2	Very high	95.8	Very high	20 Å²	20	23.5 Å²	23.5	9%	0.087	12%	0.115	C	C	.	.	I	π-helix	trans	-55.6	-56.6	175.4	-67.5	-178.9	75.8	168	0	112.2	D156 I160 E161 K162 H163 G170 W332	D156-K165 WeakPolarHBondContact OD2-CD 3.05Å; D156-K165 WeakPolarHBondContact OD2-CE 3.42Å; D156-K165 IonicContact OD2-NZ 3.75Å; D156-K165 PolarHBondContact OD2-NZ 3.11Å; I160-K165 HydrophobicContact CB-CD 4.29Å; I160-K165 HydrophobicContact CB-CG 4.19Å; I160-K165 HydrophobicContact CG2-CD 4.14Å; I160-K165 HydrophobicContact CG2-CG 3.49Å; I160-K165 VanDerWaalsContact CG2-CG 3.49Å; E161-K165 PolarHBondContact O-N 3.19Å; K162-K165 PolarHBondContact O-N 3.36Å; H163-K165 VanDerWaalsContact C-N 3.34Å; H163-K165 PolarHBondContact O-N 3.18Å; K165-G170 PolarHBondContact O-N 2.82Å; K165-W332 HydrophobicContact CB-CH2 4.47Å; K165-W332 HydrophobicContact CB-CZ2 4.48Å; K165-W332 VanDerWaalsContact CE-NE1 3.33Å
166	V	95.3	Very high	95.9	Very high	16 Å²	16	20.5 Å²	20.5	10%	0.097	10%	0.104	C	C	.	.	I	π-helix	trans	-74.3	-48.1	-172.3	179.4	0	0	0	0	112.2	L119 E120 A148 F150 K162 H163	L119-V166 HydrophobicContact CB-CG1 4.46Å; E120-V166 HydrophobicContact CB-CG2 4.02Å; E120-V166 HydrophobicContact CG-CG2 3.96Å; A148-V166 HydrophobicContact CB-CB 4.43Å; A148-V166 HydrophobicContact CB-CG1 4Å; F150-V166 HydrophobicContact CZ-CG2 4.43Å; K162-V166 PolarHBondContact O-N 3.25Å; H163-V166 PolarHBondContact O-N 3.48Å
167	N	97.4	Very high	96.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	I	π-helix	trans	-82.6	-29.9	-166.8	-63.1	-12.9	0	0	0	112.6	G147 A148 H163 H171 S222 N226	G147-N167 VanDerWaalsContact CA-OD1 3.23Å; G147-N167 WeakPolarHBondContact CA-OD1 3.47Å; A148-N167 PolarHBondContact N-OD1 3.03Å; A148-N167 PolarHBondContact O-ND2 3.48Å; A148-N167 PolarHBondContact O-OD1 3.27Å; H163-N167 WeakPolarHBondContact O-CB 3.38Å; H163-N167 PolarHBondContact O-N 2.88Å; N167-H171 PolarHBondContact O-ND1 2.97Å; N167-H171 VanDerWaalsContact O-ND1 3.11Å; N167-S222 WeakPolarHBondContact CB-OG 3.44Å; N167-S222 PolarHBondContact ND2-OG 2.99Å; N167-N226 PolarHBondContact O-ND2 2.94Å; N167-N226 PolarHBondContact O-OD1 3.37Å
168	H	98.2	Very high	96.6	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.067	C	C	.	.	I	π-helix	trans	-122.1	-63.5	-173.6	175.4	72.9	0	0	0	112.9	L164 G170 H171 F172 M225 S325	L164-H168 HydrophobicContact CD1-CB 3.93Å; L164-H168 PolarHBondContact O-N 2.99Å; H168-G170 PolarHBondContact O-N 2.9Å; H168-H171 CarbonylContact O-C 3.59Å; H168-H171 PolarHBondContact O-N 2.75Å; H168-F172 VanDerWaalsContact O-CB 3.25Å; H168-F172 WeakPolarHBondContact O-CB 3.44Å; H168-F172 PolarHBondContact O-N 3.44Å; H168-M225 HydrophobicContact CB-CB 4.19Å; H168-M225 WeakPolarHBondContact ND1-CB 3.41Å; H168-S325 PolarHBondContact NE2-OG 3.08Å
169	L	98	Very high	96.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-62.1	-40.7	-173.2	-64.2	176.9	0	0	0	112.9	I160 L164 F172 L173 L328 I329 W332	I160-L169 HydrophobicContact CG2-CD1 3.56Å; L164-L169 HydrophobicContact CD1-CD2 4.44Å; L164-L169 HydrophobicContact CD1-CG 4.03Å; L164-L169 HydrophobicContact CD2-CD1 4.35Å; L164-L169 HydrophobicContact CG-CD1 3.91Å; L164-L169 HydrophobicContact CG-CG 3.92Å; L164-L169 PolarHBondContact O-N 3.37Å; L169-F172 WeakPolarHBondContact O-CB 3.41Å; L169-F172 PolarHBondContact O-N 3.04Å; L169-L173 WeakPolarHBondContact O-CB 3.49Å; L169-L173 PolarHBondContact O-N 2.98Å; L169-L328 HydrophobicContact CD1-CB 4.17Å; L169-L328 HydrophobicContact CD1-CD1 4.43Å; L169-L328 HydrophobicContact CD2-CB 4.2Å; L169-L328 HydrophobicContact CD2-CD1 4.45Å; L169-I329 HydrophobicContact CB-CG2 4.3Å; L169-I329 HydrophobicContact CD2-CG2 4.24Å; L169-W332 HydrophobicContact CB-CE3 4.4Å; L169-W332 HydrophobicContact CB-CZ3 4.11Å
170	G	98.2	Very high	96.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-44.7	176.6	0	0	0	0	0	112	K165 H168 L174	K165-G170 PolarHBondContact O-N 2.82Å; H168-G170 PolarHBondContact O-N 2.9Å; G170-L174 VanDerWaalsContact O-CB 3.26Å; G170-L174 WeakPolarHBondContact O-CB 3.34Å; G170-L174 PolarHBondContact O-N 3.32Å
171	H	98.7	Very high	96.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.9	-34.8	174	-75.9	130.7	0	0	0	113	T53 L119 N144 A146 N167 H168 L174 T175	T53-H171 PolarHBondContact OG1-NE2 2.98Å; L119-H171 VanDerWaalsContact CD1-NE2 3.34Å; L119-H171 WeakPolarHBondContact CD1-NE2 3.43Å; N144-H171 HydrophobicContact CB-CB 4.29Å; N144-H171 VanDerWaalsContact CG-CD2 3.47Å; N144-H171 PolarHBondContact OD1-CD2 3Å; N144-H171 VanDerWaalsContact OD1-CD2 3.25Å; A146-H171 PolarHBondContact O-CE1 3.02Å; A146-H171 VanDerWaalsContact O-CE1 3.25Å; N167-H171 PolarHBondContact O-ND1 2.97Å; N167-H171 VanDerWaalsContact O-ND1 3.11Å; H168-H171 CarbonylContact O-C 3.59Å; H168-H171 PolarHBondContact O-N 2.75Å; H171-L174 PolarHBondContact O-N 2.99Å; H171-T175 WeakPolarHBondContact O-CB 3.48Å; H171-T175 PolarHBondContact O-N 3.47Å; H171-T175 PolarHBondContact O-OG1 3.5Å
172	F	98.6	Very high	97	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-62.3	-51	177.1	-173.5	-90.1	0	0	0	110.5	H168 L169 T175 K176 H229 W322 E326 I329	H168-F172 VanDerWaalsContact O-CB 3.25Å; H168-F172 WeakPolarHBondContact O-CB 3.44Å; H168-F172 PolarHBondContact O-N 3.44Å; L169-F172 WeakPolarHBondContact O-CB 3.41Å; L169-F172 PolarHBondContact O-N 3.04Å; F172-T175 PolarHBondContact O-N 2.72Å; F172-K176 HydrophobicContact CD1-CD 4.03Å; F172-K176 HydrophobicContact CE1-CD 3.46Å; F172-K176 VanDerWaalsContact CE1-CD 3.46Å; F172-K176 HydrophobicContact CE1-CG 4.32Å; F172-K176 HydrophobicContact CZ-CD 3.96Å; F172-K176 WeakPolarHBondContact O-CG 3.44Å; F172-K176 PolarHBondContact O-N 3.16Å; F172-H229 AromaticContact CD2-CD2 3.56Å; F172-H229 AromaticContact CD2-CE1 3.76Å; F172-H229 AromaticContact CD2-NE2 3.34Å; F172-H229 VanDerWaalsContact CD2-NE2 3.34Å; F172-H229 WeakPolarHBondContact CD2-NE2 3.16Å; F172-H229 AromaticContact CE2-CD2 3.91Å; F172-H229 AromaticContact CE2-NE2 3.91Å; F172-W322 AromaticContact CE2-CD2 3.79Å; F172-W322 HydrophobicContact CE2-CD2 3.79Å; F172-W322 AromaticContact CE2-CE3 3.59Å; F172-W322 HydrophobicContact CE2-CE3 3.59Å; F172-W322 HydrophobicContact CE2-CG 4.43Å; F172-W322 HydrophobicContact CE2-CH2 4.16Å; F172-W322 HydrophobicContact CE2-CZ2 4.3Å; F172-W322 AromaticContact CE2-CZ3 3.81Å; F172-W322 HydrophobicContact CE2-CZ3 3.81Å; F172-W322 AromaticContact CZ-CD2 3.84Å; F172-W322 HydrophobicContact CZ-CD2 3.84Å; F172-W322 AromaticContact CZ-CE2 3.81Å; F172-W322 HydrophobicContact CZ-CE3 4.13Å; F172-W322 HydrophobicContact CZ-CG 4.28Å; F172-W322 HydrophobicContact CZ-CH2 4.42Å; F172-W322 HydrophobicContact CZ-CZ2 4.11Å; F172-W322 HydrophobicContact CZ-CZ3 4.43Å; F172-E326 HydrophobicContact CE1-CG 3.75Å; F172-E326 HydrophobicContact CZ-CG 3.8Å; F172-I329 HydrophobicContact CD1-CD1 4.04Å; F172-I329 HydrophobicContact CD1-CG2 4.24Å; F172-I329 HydrophobicContact CE1-CD1 4.06Å
173	L	98.5	Very high	96.6	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-59.6	-49.7	174.2	177.3	59.6	0	0	0	111.3	P122 I125 L169 T175 K176 L177 I329 E333	P122-L173 HydrophobicContact CB-CD2 3.93Å; I125-L173 HydrophobicContact CB-CD2 4.12Å; I125-L173 HydrophobicContact CD1-CD2 4.1Å; I125-L173 HydrophobicContact CG2-CB 4.31Å; I125-L173 HydrophobicContact CG2-CD2 3.94Å; I125-L173 HydrophobicContact CG2-CG 3.82Å; L169-L173 WeakPolarHBondContact O-CB 3.49Å; L169-L173 PolarHBondContact O-N 2.98Å; L173-T175 VanDerWaalsContact C-N 3.32Å; L173-T175 PolarHBondContact O-N 3.45Å; L173-K176 PolarHBondContact O-N 3.11Å; L173-L177 HydrophobicContact CD1-CD1 3.75Å; L173-L177 HydrophobicContact CD1-CD2 4.5Å; L173-L177 HydrophobicContact CD1-CG 3.93Å; L173-L177 HydrophobicContact CG-CD1 3.79Å; L173-L177 HydrophobicContact CG-CG 4.38Å; L173-L177 VanDerWaalsContact O-CG 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 3.05Å; L173-I329 HydrophobicContact CB-CG2 4.16Å; L173-I329 HydrophobicContact CD1-CD1 4.06Å; L173-E333 VanDerWaalsContact CD1-OE1 3.3Å; L173-E333 WeakPolarHBondContact CD1-OE1 3.21Å; L173-E333 HydrophobicContact CD2-CG 4.37Å; L173-E333 VanDerWaalsContact CD2-OE1 3.29Å; L173-E333 WeakPolarHBondContact CD2-OE1 3.41Å
174	L	98.7	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-54.6	-49.3	178.4	177.8	66.8	0	0	0	111.7	T53 L117 L119 I125 F128 G170 H171 K176 L177 L178	T53-L174 HydrophobicContact CG2-CD2 3.72Å; L117-L174 HydrophobicContact CD1-CD1 4.42Å; L117-L174 HydrophobicContact CD2-CD2 3.88Å; L119-L174 HydrophobicContact CD2-CD2 4.34Å; I125-L174 HydrophobicContact CG2-CB 3.88Å; I125-L174 HydrophobicContact CG2-CD1 4.19Å; F128-L174 HydrophobicContact CD1-CD1 3.53Å; F128-L174 HydrophobicContact CE1-CD1 3.71Å; G170-L174 VanDerWaalsContact O-CB 3.26Å; G170-L174 WeakPolarHBondContact O-CB 3.34Å; G170-L174 PolarHBondContact O-N 3.32Å; H171-L174 PolarHBondContact O-N 2.99Å; L174-K176 PolarHBondContact O-N 2.72Å; L174-L177 PolarHBondContact O-N 3.07Å; L174-L178 HydrophobicContact CD1-CD1 3.75Å; L174-L178 HydrophobicContact CD1-CG 4.1Å; L174-L178 HydrophobicContact CG-CD1 3.96Å; L174-L178 WeakPolarHBondContact O-CB 3.33Å; L174-L178 WeakPolarHBondContact O-CG 3.1Å; L174-L178 PolarHBondContact O-N 3.06Å
175	T	98.5	Very high	95	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-40.2	-177	-56.4	0	0	0	0	110.9	L142 N144 H171 F172 L173 K179 L182 V192 I233 W237	L142-T175 HydrophobicContact CD2-CG2 4.22Å; N144-T175 PolarHBondContact ND2-OG1 2.88Å; H171-T175 WeakPolarHBondContact O-CB 3.48Å; H171-T175 PolarHBondContact O-N 3.47Å; H171-T175 PolarHBondContact O-OG1 3.5Å; F172-T175 PolarHBondContact O-N 2.72Å; L173-T175 VanDerWaalsContact C-N 3.32Å; L173-T175 PolarHBondContact O-N 3.45Å; T175-K179 PolarHBondContact O-N 3.47Å; T175-K179 VanDerWaalsContact O-N 3.13Å; T175-L182 HydrophobicContact CG2-CD1 4.29Å; T175-V192 HydrophobicContact CG2-CG1 4.1Å; T175-V192 HydrophobicContact CG2-CG2 4.48Å; T175-I233 HydrophobicContact CG2-CD1 3.87Å; T175-W237 HydrophobicContact CG2-CH2 3.9Å; T175-W237 HydrophobicContact CG2-CZ3 3.66Å
176	K	97.9	Very high	94.1	Very high	65 Å²	65	28.4 Å²	28.4	28%	0.283	16%	0.155	S	C	.	.	H	α-helix	trans	-63.1	-45.3	173.6	-77.8	-171	64.4	169.6	0	112.4	F172 L173 L174 L178 K179 W237 E326 I329	F172-K176 HydrophobicContact CD1-CD 4.03Å; F172-K176 HydrophobicContact CE1-CD 3.46Å; F172-K176 VanDerWaalsContact CE1-CD 3.46Å; F172-K176 HydrophobicContact CE1-CG 4.32Å; F172-K176 HydrophobicContact CZ-CD 3.96Å; F172-K176 WeakPolarHBondContact O-CG 3.44Å; F172-K176 PolarHBondContact O-N 3.16Å; L173-K176 PolarHBondContact O-N 3.11Å; L174-K176 PolarHBondContact O-N 2.72Å; K176-L178 VanDerWaalsContact C-N 3.35Å; K176-K179 VanDerWaalsContact O-CB 3.3Å; K176-K179 WeakPolarHBondContact O-CB 3.32Å; K176-K179 PolarHBondContact O-N 3.06Å; K176-W237 HydrophobicContact CG-CH2 4.22Å; K176-W237 HydrophobicContact CG-CZ2 4.15Å; K176-E326 IonicContact NZ-OE1 2.85Å; K176-E326 PolarHBondContact NZ-OE1 2.85Å; K176-I329 HydrophobicContact CD-CD1 4.2Å
177	L	98.2	Very high	93.3	Very high	35 Å²	35	31.7 Å²	31.7	18%	0.183	19%	0.192	C	C	.	.	H	α-helix	trans	-66.7	-37.3	-179.6	-69.6	169.2	0	0	0	112.1	I125 R126 A129 I133 L173 L174 K179 P180	I125-L177 HydrophobicContact CG2-CD1 3.97Å; R126-L177 HydrophobicContact CB-CD1 4.47Å; R126-L177 HydrophobicContact CG-CD1 3.75Å; A129-L177 HydrophobicContact CB-CB 3.64Å; A129-L177 HydrophobicContact CB-CD1 3.99Å; A129-L177 HydrophobicContact CB-CG 4.43Å; I133-L177 WeakPolarHBondContact CD1-O 3.31Å; L173-L177 HydrophobicContact CD1-CD1 3.75Å; L173-L177 HydrophobicContact CD1-CD2 4.5Å; L173-L177 HydrophobicContact CD1-CG 3.93Å; L173-L177 HydrophobicContact CG-CD1 3.79Å; L173-L177 HydrophobicContact CG-CG 4.38Å; L173-L177 VanDerWaalsContact O-CG 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 3.05Å; L174-L177 PolarHBondContact O-N 3.07Å; L177-K179 VanDerWaalsContact C-N 3.32Å; L177-P180 WeakPolarHBondContact O-CD 3.18Å
178	L	98	Very high	92.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-79.6	-10.1	178.7	-68.7	-179.4	0	0	0	113.9	I51 F128 A129 I132 I133 L142 L174 K176 P180 C181 L182	I51-L178 HydrophobicContact CD1-CD1 3.81Å; F128-L178 HydrophobicContact CE1-CD1 4.32Å; A129-L178 HydrophobicContact CB-CD2 4.17Å; I132-L178 HydrophobicContact CB-CD2 3.92Å; I132-L178 HydrophobicContact CG2-CD2 3.66Å; I133-L178 HydrophobicContact CG1-CD2 4.42Å; L142-L178 HydrophobicContact CD1-CD1 4.23Å; L142-L178 HydrophobicContact CD2-CD1 4.29Å; L174-L178 HydrophobicContact CD1-CD1 3.75Å; L174-L178 HydrophobicContact CD1-CG 4.1Å; L174-L178 HydrophobicContact CG-CD1 3.96Å; L174-L178 WeakPolarHBondContact O-CB 3.33Å; L174-L178 WeakPolarHBondContact O-CG 3.1Å; L174-L178 PolarHBondContact O-N 3.06Å; K176-L178 VanDerWaalsContact C-N 3.35Å; L178-P180 VanDerWaalsContact C-N 3.26Å; L178-P180 VanDerWaalsContact O-N 3.08Å; L178-C181 WeakPolarHBondContact O-CA 3.25Å; L178-C181 PolarHBondContact O-N 2.74Å; L178-L182 HydrophobicContact CB-CG 4.41Å; L178-L182 WeakPolarHBondContact O-CG 3.25Å; L178-L182 PolarHBondContact O-N 3.48Å; L178-L182 VanDerWaalsContact O-N 3.08Å
179	K	96.4	Very high	92.4	Very high	63 Å²	63	35 Å²	35	27%	0.274	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-44.5	-42.3	179.1	-172.8	-179.5	-170.3	-81.2	0	113.9	T175 K176 L177 C181 L182 W237 D240 I242	T175-K179 PolarHBondContact O-N 3.47Å; T175-K179 VanDerWaalsContact O-N 3.13Å; K176-K179 VanDerWaalsContact O-CB 3.3Å; K176-K179 WeakPolarHBondContact O-CB 3.32Å; K176-K179 PolarHBondContact O-N 3.06Å; L177-K179 VanDerWaalsContact C-N 3.32Å; K179-C181 PolarHBondContact O-N 3.23Å; K179-L182 PolarHBondContact O-N 3.21Å; K179-L182 VanDerWaalsContact O-N 3.16Å; K179-W237 HydrophobicContact CD-CD2 4.02Å; K179-W237 HydrophobicContact CD-CE3 4.37Å; K179-W237 HydrophobicContact CD-CG 4.45Å; K179-W237 HydrophobicContact CD-CH2 4.39Å; K179-W237 HydrophobicContact CD-CZ2 4.01Å; K179-W237 HydrophobicContact CG-CE3 4.45Å; K179-D240 WeakPolarHBondContact CE-OD2 3.49Å; K179-D240 IonicContact NZ-OD1 3.32Å; K179-D240 PolarHBondContact NZ-OD1 3.05Å; K179-D240 IonicContact NZ-OD2 3.63Å; K179-D240 PolarHBondContact NZ-OD2 3.08Å; K179-I242 HydrophobicContact CG-CD1 4.37Å
180	P	93.9	Very high	92.3	Very high	79 Å²	79	35 Å²	35	51%	0.513	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-61.8	-21.9	177.5	-23.6	36.1	0	0	0	115.1	L177 L178 K183	L177-P180 WeakPolarHBondContact O-CD 3.18Å; L178-P180 VanDerWaalsContact C-N 3.26Å; L178-P180 VanDerWaalsContact O-N 3.08Å; P180-K183 WeakPolarHBondContact O-CE 3.46Å
181	C	94.7	Very high	92.3	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.047	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-102.4	-13.6	176.8	-65.5	0	0	0	0	113.1	E136 I139 L178 K179 K183	E136-C181 PolarHBondContact O-SG 3.47Å; E136-C181 VanDerWaalsContact O-SG 3.37Å; I139-C181 HydrophobicContact CD1-CB 3.86Å; I139-C181 HydrophobicContact CG1-CB 4.13Å; I139-C181 PolarHBondContact N-O 3.32Å; L178-C181 WeakPolarHBondContact O-CA 3.25Å; L178-C181 PolarHBondContact O-N 2.74Å; K179-C181 PolarHBondContact O-N 3.23Å; C181-K183 VanDerWaalsContact C-N 3.3Å; C181-K183 PolarHBondContact O-N 3.43Å
182	L	96.1	Very high	92.2	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	21%	0.212	C	C	.	.			trans	-73.8	82.9	174.2	-66.4	-178.9	0	0	0	109.8	I139 L142 T175 L178 K179 V192 I242	I139-L182 HydrophobicContact CB-CD2 4.43Å; I139-L182 HydrophobicContact CG2-CD2 4.43Å; L142-L182 HydrophobicContact CB-CD2 3.83Å; L142-L182 HydrophobicContact CD2-CD1 4.33Å; L142-L182 HydrophobicContact CD2-CD2 4.25Å; T175-L182 HydrophobicContact CG2-CD1 4.29Å; L178-L182 HydrophobicContact CB-CG 4.41Å; L178-L182 WeakPolarHBondContact O-CG 3.25Å; L178-L182 PolarHBondContact O-N 3.48Å; L178-L182 VanDerWaalsContact O-N 3.08Å; K179-L182 PolarHBondContact O-N 3.21Å; K179-L182 VanDerWaalsContact O-N 3.16Å; L182-V192 HydrophobicContact CD1-CG2 3.8Å; L182-I242 HydrophobicContact CB-CD1 3.87Å; L182-I242 HydrophobicContact CB-CG1 4.47Å
183	K	87.8	Confident	92.3	Very high	113 Å²	113	35.4 Å²	35.4	49%	0.491	21%	0.212	S	C	.	.			trans	-119	147.4	-176.4	-65.7	-175.7	-177.8	172	0	111.1	S138 P180 C181	S138-K183 PolarHBondContact OG-O 3.33Å; P180-K183 WeakPolarHBondContact O-CE 3.46Å; C181-K183 VanDerWaalsContact C-N 3.3Å; C181-K183 PolarHBondContact O-N 3.43Å
184	A	79.5	Confident	92.3	Very high	53 Å²	53	35.2 Å²	35.2	44%	0.438	21%	0.211	S	C	.	.			trans	-56	145.6	167.9	0	0	0	0	0	110.4	E188	A184-E188 VanDerWaalsContact CA-O 3.28Å; A184-E188 WeakPolarHBondContact CA-O 3.36Å; A184-E188 VanDerWaalsContact CB-O 3.23Å; A184-E188 WeakPolarHBondContact CB-O 3.47Å
185	S	76.6	Confident	92.2	Very high	25 Å²	25	35.5 Å²	35.5	18%	0.175	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-130.2	135.1	175.6	-166.3	0	0	0	0	108.6	G187 E188	S185-G187 VanDerWaalsContact C-N 3.25Å; S185-G187 PolarHBondContact O-N 3.31Å; S185-E188 PolarHBondContact N-O 2.73Å; S185-E188 VanDerWaalsContact N-O 3.15Å; S185-E188 PolarHBondContact O-N 3.19Å
186	D	77.3	Confident	92.1	Very high	132 Å²	132	35.7 Å²	35.7	71%	0.706	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	36.8	171.2	-46.6	-58.3	0	0	0	114.3	E188	D186-E188 PolarHBondContact O-N 3.24Å
187	G	78.7	Confident	91.8	Very high	84 Å²	84	33.4 Å²	33.4	87%	0.866	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	1.5	-178.2	0	0	0	0	0	114.6	S185	S185-G187 VanDerWaalsContact C-N 3.25Å; S185-G187 PolarHBondContact O-N 3.31Å
188	E	85.7	Confident	91.4	Very high	32 Å²	32	35.5 Å²	35.5	15%	0.15	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-97.2	139.6	174.7	-65.5	-175	-178.4	0	0	111.4	K48 A184 S185 D186 R191 K292	K48-E188 IonicContact NZ-OE1 3.2Å; K48-E188 IonicContact NZ-OE2 3.14Å; K48-E188 PolarHBondContact NZ-OE2 2.85Å; A184-E188 VanDerWaalsContact CA-O 3.28Å; A184-E188 WeakPolarHBondContact CA-O 3.36Å; A184-E188 VanDerWaalsContact CB-O 3.23Å; A184-E188 WeakPolarHBondContact CB-O 3.47Å; S185-E188 PolarHBondContact N-O 2.73Å; S185-E188 VanDerWaalsContact N-O 3.15Å; S185-E188 PolarHBondContact O-N 3.19Å; D186-E188 PolarHBondContact O-N 3.24Å; E188-R191 IonicContact OE2-NH2 2.68Å; E188-R191 PolarHBondContact OE2-NH2 2.89Å; E188-K292 WeakPolarHBondContact OE1-CD 3.48Å; E188-K292 WeakPolarHBondContact OE1-CE 3.35Å; E188-K292 IonicContact OE1-NZ 2.85Å; E188-K292 PolarHBondContact OE1-NZ 3.19Å
189	P	91.1	Very high	90.9	Very high	40 Å²	40	36.4 Å²	36.4	26%	0.26	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-63.1	147.7	177.5	25.8	-33	0	0	0	111.3	G241 I243	P189-G241 WeakPolarHBondContact CA-O 3.33Å; P189-G241 WeakPolarHBondContact CB-O 3.23Å; P189-I243 HydrophobicContact CB-CD1 3.73Å; P189-I243 HydrophobicContact CB-CG1 3.88Å; P189-I243 HydrophobicContact CG-CD1 3.47Å; P189-I243 VanDerWaalsContact CG-CD1 3.47Å; P189-I243 HydrophobicContact CG-CG1 4.17Å
190	C	95.5	Very high	90.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	143.4	169.6	-177.9	0	0	0	0	109.5	I139 P140 G241 I242 I243	I139-C190 PolarHBondContact O-SG 3.4Å; I139-C190 VanDerWaalsContact O-SG 3.35Å; P140-C190 CarbonylContact O-C 3.53Å; P140-C190 WeakPolarHBondContact O-CA 3.1Å; P140-C190 PolarHBondContact O-SG 3.46Å; C190-G241 PolarHBondContact N-O 3.34Å; C190-I242 HydrophobicContact CB-CG1 4.14Å; C190-I243 PolarHBondContact O-N 3.46Å
191	R	97.2	Very high	90.7	Very high	7 Å²	7	35 Å²	35	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.4	-175.1	-59.1	177.5	-170.1	166.1	0.6	110.9	P140 I141 L142 E188 I243 A289 L290 D291 L294	P140-R191 PolarHBondContact O-N 3.35Å; I141-R191 CarbonylContact C-O 3.5Å; I141-R191 WeakPolarHBondContact CA-O 3.05Å; I141-R191 HydrophobicContact CG1-CB 4.45Å; I141-R191 HydrophobicContact CG2-CB 4.47Å; L142-R191 PolarHBondContact N-O 3.38Å; E188-R191 IonicContact OE2-NH2 2.68Å; E188-R191 PolarHBondContact OE2-NH2 2.89Å; R191-I243 CarbonylContact C-O 3.52Å; R191-I243 VanDerWaalsContact CA-O 3.28Å; R191-I243 WeakPolarHBondContact CA-O 3.35Å; R191-A289 VanDerWaalsContact NH1-C 3.29Å; R191-A289 PolarHBondContact NH1-O 3.1Å; R191-L290 PolarHBondContact NH1-O 3.47Å; R191-D291 PolarHBondContact NH1-O 3.46Å; R191-D291 PolarHBondContact NH2-O 3.26Å; R191-L294 HydrophobicContact CG-CD1 4.4Å
192	V	98.4	Very high	90.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	107.9	168.6	-177.1	0	0	0	0	109.5	L142 T175 L182 I194 I233 I242 I243 S244 V245	L142-V192 HydrophobicContact CB-CG2 4.45Å; L142-V192 HydrophobicContact CD2-CG1 4.32Å; L142-V192 CarbonylContact O-C 3.43Å; L142-V192 WeakPolarHBondContact O-CA 3.32Å; T175-V192 HydrophobicContact CG2-CG1 4.1Å; T175-V192 HydrophobicContact CG2-CG2 4.48Å; L182-V192 HydrophobicContact CD1-CG2 3.8Å; V192-I194 HydrophobicContact CG1-CD1 4.28Å; V192-I194 HydrophobicContact CG1-CG1 4.02Å; V192-I233 HydrophobicContact CB-CD1 4.47Å; V192-I233 HydrophobicContact CG1-CD1 4Å; V192-I242 HydrophobicContact CG2-CG2 3.9Å; V192-I243 PolarHBondContact N-O 3.2Å; V192-S244 WeakPolarHBondContact O-CA 3.41Å; V192-S244 WeakPolarHBondContact O-CB 3.46Å; V192-S244 PolarHBondContact O-OG 3.16Å; V192-V245 PolarHBondContact O-N 3.38Å
193	I	98.8	Very high	90.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.7	-176.2	-57.3	165.9	0	0	0	108.7	I141 L142 I143 N144 L195 V245 V247 T285 C288 A289	I141-I193 HydrophobicContact CG2-CD1 4.17Å; L142-I193 PolarHBondContact O-N 2.77Å; I143-I193 WeakPolarHBondContact CA-O 3.16Å; I143-I193 HydrophobicContact CD1-CD1 4.43Å; I143-I193 HydrophobicContact CG1-CB 4.45Å; I143-I193 HydrophobicContact CG1-CD1 4.29Å; N144-I193 PolarHBondContact N-O 2.58Å; I193-L195 HydrophobicContact CG2-CD2 4.43Å; I193-V245 HydrophobicContact CG1-CG2 4.15Å; I193-V245 HydrophobicContact CG2-CG2 4.49Å; I193-V247 HydrophobicContact CG2-CB 4.37Å; I193-V247 HydrophobicContact CG2-CG2 3.64Å; I193-T285 HydrophobicContact CG2-CG2 4.12Å; I193-C288 VanDerWaalsContact CD1-C 3.44Å; I193-C288 HydrophobicContact CD1-CB 3.89Å; I193-C288 WeakPolarHBondContact CD1-O 3.44Å; I193-C288 HydrophobicContact CG1-CB 4.12Å; I193-C288 HydrophobicContact CG2-CB 4.24Å; I193-A289 HydrophobicContact CD1-CB 3.82Å
194	I	98.7	Very high	90.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119	-174	-48.1	-172.1	0	0	0	110.9	N144 V192 S196 N226 H229 A230 I233 V245 S246 V247	N144-I194 HydrophobicContact CB-CB 4.45Å; N144-I194 HydrophobicContact CB-CG1 4.31Å; N144-I194 HydrophobicContact CB-CG2 4.19Å; V192-I194 HydrophobicContact CG1-CD1 4.28Å; V192-I194 HydrophobicContact CG1-CG1 4.02Å; I194-S196 PolarHBondContact O-N 2.94Å; I194-N226 HydrophobicContact CG2-CB 3.67Å; I194-H229 HydrophobicContact CD1-CB 4.16Å; I194-H229 WeakPolarHBondContact CD1-ND1 3.21Å; I194-A230 HydrophobicContact CD1-CB 4.1Å; I194-A230 HydrophobicContact CG1-CB 4.39Å; I194-I233 HydrophobicContact CD1-CD1 3.84Å; I194-V245 PolarHBondContact N-O 2.75Å; I194-S246 CarbonylContact O-C 3.34Å; I194-S246 VanDerWaalsContact O-CA 3.25Å; I194-S246 WeakPolarHBondContact O-CA 3.41Å; I194-V247 PolarHBondContact O-N 3.23Å
195	L	98.1	Very high	91.7	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.2	-179.5	-85	-71.4	0	0	0	111.1	I143 N144 N145 I193 K223 N226 V247 P249 T285	I143-L195 HydrophobicContact CG2-CD2 4.07Å; N144-L195 PolarHBondContact O-N 3.35Å; N145-L195 HydrophobicContact CB-CD2 4.07Å; N145-L195 HydrophobicContact CB-CG 4.21Å; I193-L195 HydrophobicContact CG2-CD2 4.43Å; L195-K223 PolarHBondContact O-NZ 3.44Å; L195-N226 PolarHBondContact O-ND2 3.04Å; L195-V247 HydrophobicContact CD1-CB 4.28Å; L195-V247 HydrophobicContact CD1-CG1 4.04Å; L195-P249 HydrophobicContact CD1-CB 4.17Å; L195-P249 HydrophobicContact CD1-CG 4.06Å; L195-T285 HydrophobicContact CD2-CG2 4.14Å
196	S	96.4	Very high	92.4	Very high	3 Å²	3	44 Å²	44	2%	0.021	23%	0.234	C	C	.	.			trans	-104.5	-157.5	170.1	-172.4	0	0	0	0	110.4	I194 K223 V227 V247	I194-S196 PolarHBondContact O-N 2.94Å; S196-K223 PolarHBondContact OG-O 2.94Å; S196-V227 VanDerWaalsContact OG-CG2 3.23Å; S196-V227 WeakPolarHBondContact OG-CG2 3.43Å; S196-V247 CarbonylContact C-O 3.41Å; S196-V247 WeakPolarHBondContact CA-O 3.49Å; S196-V247 PolarHBondContact N-O 3.19Å
197	S	91.8	Very high	92.6	Very high	18 Å²	18	42.4 Å²	42.4	13%	0.126	23%	0.231	C	C	.	.			trans	-163.1	154.6	-173.8	169.1	0	0	0	0	109.8	S199 H200 H248	S197-S199 WeakPolarHBondContact CB-OG 3.36Å; S197-S199 PolarHBondContact O-N 3.01Å; S197-S199 WeakPolarHBondContact OG-CB 3.47Å; S197-S199 PolarHBondContact OG-N 3Å; S197-S199 PolarHBondContact OG-OG 3.38Å; S197-H200 WeakPolarHBondContact O-CB 3.32Å; S197-H200 PolarHBondContact O-N 3.21Å; S197-H200 PolarHBondContact O-ND1 3.33Å; S197-H248 WeakPolarHBondContact CA-ND1 3.15Å
198	L	88.6	Confident	92.8	Very high	79 Å²	79	44.2 Å²	44.2	41%	0.414	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-55.1	-23.4	167.1	-80.3	167.7	0	0	0	112.8	H200 W201 H248	L198-H200 PolarHBondContact O-N 2.88Å; L198-H200 VanDerWaalsContact O-N 3.07Å; L198-W201 WeakPolarHBondContact O-CB 3.35Å; L198-W201 PolarHBondContact O-N 2.89Å; L198-W201 VanDerWaalsContact O-N 3.11Å; L198-H248 VanDerWaalsContact CD1-NE2 3.25Å; L198-H248 WeakPolarHBondContact CD1-NE2 3.49Å; L198-H248 VanDerWaalsContact CG-NE2 3.25Å; L198-H248 WeakPolarHBondContact CG-NE2 3.46Å; L198-H248 PolarHBondContact N-ND1 3.29Å
199	S	88.9	Confident	93	Very high	18 Å²	18	43.5 Å²	43.5	13%	0.126	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57	-22.4	175.1	59.7	0	0	0	0	113.8	S197 W201 F202 Y219 A220	S197-S199 WeakPolarHBondContact CB-OG 3.36Å; S197-S199 PolarHBondContact O-N 3.01Å; S197-S199 WeakPolarHBondContact OG-CB 3.47Å; S197-S199 PolarHBondContact OG-N 3Å; S197-S199 PolarHBondContact OG-OG 3.38Å; S199-W201 PolarHBondContact O-N 2.99Å; S199-W201 VanDerWaalsContact O-N 3.16Å; S199-F202 PolarHBondContact O-N 2.8Å; S199-Y219 WeakPolarHBondContact OG-CD1 3.43Å; S199-Y219 VanDerWaalsContact OG-CE1 3.28Å; S199-Y219 WeakPolarHBondContact OG-CE1 3.49Å; S199-A220 VanDerWaalsContact O-CB 3.25Å; S199-A220 WeakPolarHBondContact O-CB 3.5Å
200	H	93	Very high	92.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-60.6	-23.6	176.9	85.3	-82.6	0	0	0	113.7	S197 L198 F202 K223 L224 V227 F299 C308 N309	S197-H200 WeakPolarHBondContact O-CB 3.32Å; S197-H200 PolarHBondContact O-N 3.21Å; S197-H200 PolarHBondContact O-ND1 3.33Å; L198-H200 PolarHBondContact O-N 2.88Å; L198-H200 VanDerWaalsContact O-N 3.07Å; H200-F202 VanDerWaalsContact C-N 3.3Å; H200-K223 HydrophobicContact CB-CB 4.36Å; H200-L224 HydrophobicContact CB-CB 4.09Å; H200-V227 HydrophobicContact CB-CG2 4.36Å; H200-F299 AromaticContact CE1-CE1 3.84Å; H200-F299 AromaticContact CE1-CE2 3.85Å; H200-F299 AromaticContact CE1-CZ 3.48Å; H200-F299 VanDerWaalsContact CE1-CZ 3.48Å; H200-F299 WeakPolarHBondContact CE1-CZ 3.39Å; H200-F299 AromaticContact ND1-CZ 3.98Å; H200-C308 WeakPolarHBondContact NE2-CA 3.44Å; H200-C308 WeakPolarHBondContact NE2-CB 3.49Å; H200-N309 PolarHBondContact NE2-N 3.03Å; H200-N309 VanDerWaalsContact NE2-N 3.12Å; H200-N309 PolarHBondContact O-ND2 3.29Å
201	W	92.1	Very high	92.6	Very high	112 Å²	112	48.3 Å²	48.3	42%	0.424	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-70.3	-26.2	174.1	-77.6	107.1	0	0	0	113.2	L198 S199 A203 R307 C308 N309	L198-W201 WeakPolarHBondContact O-CB 3.35Å; L198-W201 PolarHBondContact O-N 2.89Å; L198-W201 VanDerWaalsContact O-N 3.11Å; S199-W201 PolarHBondContact O-N 2.99Å; S199-W201 VanDerWaalsContact O-N 3.16Å; W201-A203 VanDerWaalsContact C-N 3.28Å; W201-R307 HydrophobicContact CH2-CB 4.41Å; W201-R307 HydrophobicContact CZ2-CB 4.17Å; W201-R307 WeakPolarHBondContact CZ2-O 3.45Å; W201-C308 WeakPolarHBondContact CH2-O 3.12Å; W201-C308 WeakPolarHBondContact CZ2-O 3.21Å; W201-N309 HydrophobicContact CE3-CB 4.33Å
202	F	91.1	Very high	92.2	Very high	160 Å²	160	48.2 Å²	48.2	70%	0.702	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-92.7	12.3	-178.7	-52	-61.2	0	0	0	112.8	S199 H200 G216	S199-F202 PolarHBondContact O-N 2.8Å; H200-F202 VanDerWaalsContact C-N 3.3Å; F202-G216 WeakPolarHBondContact O-CA 3.41Å
203	A	94.5	Very high	91.8	Very high	5 Å²	5	50.5 Å²	50.5	4%	0.041	27%	0.266	C	S	.	.			trans	-110.5	146.7	174.8	0	0	0	0	0	111.4	W201 V215 A220 I221 L224 N309	W201-A203 VanDerWaalsContact C-N 3.28Å; A203-V215 CarbonylContact C-O 3.57Å; A203-V215 VanDerWaalsContact CA-O 3.28Å; A203-V215 WeakPolarHBondContact CA-O 3.34Å; A203-A220 HydrophobicContact CB-CB 3.99Å; A203-A220 WeakPolarHBondContact CB-O 3.13Å; A203-I221 HydrophobicContact CB-CB 4.49Å; A203-I221 HydrophobicContact CB-CG1 3.94Å; A203-L224 HydrophobicContact CB-CB 4.06Å; A203-L224 HydrophobicContact CB-CD2 3.87Å; A203-N309 PolarHBondContact O-ND2 2.94Å
204	K	96.4	Very high	91.5	Very high	131 Å²	131	50.9 Å²	50.9	57%	0.57	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	112.9	167.6	-173.7	-179.5	-179.4	-179.3	0	109.6	G214 V215	K204-G214 CarbonylContact O-C 2.9Å; K204-G214 WeakPolarHBondContact O-CA 3.14Å; K204-V215 HydrophobicContact CB-CB 4.28Å; K204-V215 PolarHBondContact N-O 3.2Å; K204-V215 PolarHBondContact O-N 3.39Å
205	L	96.2	Very high	91.2	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	137.2	174.6	-62.9	176	0	0	0	110.2	I221 L224 M225 I228 Q311 I317 V321	L205-I221 HydrophobicContact CD2-CG2 3.89Å; L205-L224 HydrophobicContact CD1-CD2 4.39Å; L205-L224 HydrophobicContact CG-CD2 3.98Å; L205-M225 HydrophobicContact CD1-CG 4.45Å; L205-M225 HydrophobicContact CD2-CE 3.77Å; L205-M225 HydrophobicContact CD2-CG 4.45Å; L205-I228 HydrophobicContact CD1-CD1 3.67Å; L205-Q311 PolarHBondContact O-NE2 2.81Å; L205-I317 HydrophobicContact CD1-CG2 4.29Å; L205-V321 HydrophobicContact CD1-CG2 3.45Å; L205-V321 VanDerWaalsContact CD1-CG2 3.45Å
206	H	92.7	Very high	90.9	Very high	90 Å²	90	56.2 Å²	56.2	42%	0.417	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-72.8	131.5	168.8	-66.1	160.9	0	0	0	109	N208 S209 S213	H206-N208 PolarHBondContact O-N 2.86Å; H206-S209 PolarHBondContact O-N 3.43Å; H206-S213 PolarHBondContact N-O 3.45Å
207	P	80.5	Confident	90.6	Very high	98 Å²	98	59.1 Å²	59.1	64%	0.636	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	139.6	172.2	-22	32.3	0	0	0	110.3	S209	P207-S209 PolarHBondContact O-N 2.83Å; P207-S209 VanDerWaalsContact O-N 3.1Å
208	N	84	Confident	90.7	Very high	122 Å²	122	58.3 Å²	58.3	65%	0.652	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	19.6	173.9	-52.7	-34.7	0	0	0	115.6	H206 G210	H206-N208 PolarHBondContact O-N 2.86Å; N208-G210 PolarHBondContact O-N 2.73Å
209	S	88.8	Confident	90.8	Very high	17 Å²	17	55.9 Å²	55.9	12%	0.119	31%	0.308	C	S	.	.			trans	-69	119.9	174.8	-177.3	0	0	0	0	111	H206 P207 F211 L212 S213 H320	H206-S209 PolarHBondContact O-N 3.43Å; P207-S209 PolarHBondContact O-N 2.83Å; P207-S209 VanDerWaalsContact O-N 3.1Å; S209-F211 VanDerWaalsContact C-N 3.25Å; S209-F211 PolarHBondContact O-N 2.93Å; S209-L212 PolarHBondContact O-N 2.99Å; S209-L212 PolarHBondContact OG-N 3.22Å; S209-S213 WeakPolarHBondContact OG-CB 3.45Å; S209-S213 PolarHBondContact OG-N 3.4Å; S209-S213 PolarHBondContact OG-OG 3.5Å; S209-H320 PolarHBondContact N-NE2 2.64Å; S209-H320 PolarHBondContact O-NE2 3.14Å
210	G	88.1	Confident	91	Very high	47 Å²	47	55.1 Å²	55.1	49%	0.485	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.8	177.8	0	0	0	0	0	114.3	N208 T324	N208-G210 PolarHBondContact O-N 2.73Å; G210-T324 WeakPolarHBondContact O-CG2 3.49Å
211	F	89.6	Confident	91.2	Very high	94 Å²	94	55.7 Å²	55.7	41%	0.412	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	17.9	175.3	-70	-79.6	0	0	0	112.5	L158 I160 S209 S213 L328	L158-F211 WeakPolarHBondContact O-CE1 3.42Å; I160-F211 HydrophobicContact CG1-CD1 4.44Å; I160-F211 HydrophobicContact CG1-CE1 4.49Å; S209-F211 VanDerWaalsContact C-N 3.25Å; S209-F211 PolarHBondContact O-N 2.93Å; F211-S213 PolarHBondContact O-N 3.04Å; F211-S213 VanDerWaalsContact O-N 3.09Å; F211-L328 HydrophobicContact CD1-CD2 3.81Å; F211-L328 HydrophobicContact CE1-CD2 4.03Å
212	L	90.1	Very high	91.4	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	29%	0.286	C	S	.	.			trans	53.7	32.9	179.7	-58.1	173.4	0	0	0	113.7	L164 S209 M225 V321 T324 L328	L164-L212 HydrophobicContact CD1-CD1 4.25Å; L164-L212 HydrophobicContact CD2-CB 4.02Å; L164-L212 HydrophobicContact CD2-CD1 4.31Å; S209-L212 PolarHBondContact O-N 2.99Å; S209-L212 PolarHBondContact OG-N 3.22Å; L212-M225 HydrophobicContact CB-CE 3.33Å; L212-M225 HydrophobicContact CB-SD 3.88Å; L212-M225 HydrophobicContact CD1-CE 4.26Å; L212-M225 HydrophobicContact CD1-SD 3.65Å; L212-M225 HydrophobicContact CG-CE 4.34Å; L212-M225 HydrophobicContact CG-SD 4.29Å; L212-M225 WeakPolarHBondContact O-CE 3.4Å; L212-V321 HydrophobicContact CD2-CB 4.33Å; L212-V321 HydrophobicContact CD2-CG1 4.41Å; L212-V321 HydrophobicContact CD2-CG2 4.08Å; L212-T324 HydrophobicContact CD1-CG2 4.32Å; L212-T324 HydrophobicContact CD2-CG2 3.7Å; L212-T324 HydrophobicContact CG-CG2 3.67Å; L212-L328 HydrophobicContact CD1-CD1 3.89Å; L212-L328 HydrophobicContact CG-CD1 4.07Å
213	S	90.6	Very high	91.7	Very high	50 Å²	50	43 Å²	43	35%	0.35	25%	0.253	S	S	.	.			trans	-74	162.7	178.9	70.4	0	0	0	0	112.4	H206 S209 F211	H206-S213 PolarHBondContact N-O 3.45Å; S209-S213 WeakPolarHBondContact OG-CB 3.45Å; S209-S213 PolarHBondContact OG-N 3.4Å; S209-S213 PolarHBondContact OG-OG 3.5Å; F211-S213 PolarHBondContact O-N 3.04Å; F211-S213 VanDerWaalsContact O-N 3.09Å
214	G	91.9	Very high	91.8	Very high	8 Å²	8	42.7 Å²	42.7	8%	0.082	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	-175.6	-178.3	0	0	0	0	0	113.6	K204 I221	K204-G214 CarbonylContact O-C 2.9Å; K204-G214 WeakPolarHBondContact O-CA 3.14Å; G214-I221 WeakPolarHBondContact O-CD1 3.31Å
215	V	92.6	Very high	91.9	Very high	90 Å²	90	36.5 Å²	36.5	55%	0.545	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	140.7	171.2	-174.3	0	0	0	0	109.3	A203 K204	A203-V215 CarbonylContact C-O 3.57Å; A203-V215 VanDerWaalsContact CA-O 3.28Å; A203-V215 WeakPolarHBondContact CA-O 3.34Å; K204-V215 HydrophobicContact CB-CB 4.28Å; K204-V215 PolarHBondContact N-O 3.2Å; K204-V215 PolarHBondContact O-N 3.39Å
216	G	90.5	Very high	92	Very high	27 Å²	27	36.2 Å²	36.2	28%	0.278	22%	0.223	S	C	.	.	S	Bend	trans	111.5	173	-175.9	0	0	0	0	0	112.8	K153 F202	K153-G216 WeakPolarHBondContact CE-O 3.38Å; K153-G216 PolarHBondContact NZ-O 3.38Å; F202-G216 WeakPolarHBondContact O-CA 3.41Å
217	S	91	Very high	92.3	Very high	64 Å²	64	32 Å²	32	45%	0.448	20%	0.203	S	C	.	.			trans	-67.2	157.4	174.3	67.9	0	0	0	0	111.2	Y219 A220 I221	S217-Y219 PolarHBondContact O-N 3.1Å; S217-A220 PolarHBondContact O-N 3.3Å; S217-A220 VanDerWaalsContact O-N 3.17Å; S217-A220 WeakPolarHBondContact OG-CB 3.5Å; S217-A220 PolarHBondContact OG-N 3.39Å; S217-I221 WeakPolarHBondContact O-CB 3.27Å; S217-I221 WeakPolarHBondContact O-CG1 3.46Å; S217-I221 PolarHBondContact O-N 3.37Å
218	G	92.9	Very high	93.1	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-55.5	-41.8	174.3	0	0	0	0	0	111.3	I221 S222	G218-I221 PolarHBondContact O-N 3.41Å; G218-S222 WeakPolarHBondContact O-CB 3.48Å; G218-S222 PolarHBondContact O-N 3.5Å; G218-S222 PolarHBondContact O-OG 2.74Å
219	Y	92.4	Very high	93.8	Very high	28 Å²	28	21.7 Å²	21.7	11%	0.11	14%	0.143	C	C	.	.	H	α-helix	trans	-58.1	-51.7	172.9	-174	-109.2	0	0	0	113.5	A148 D149 H163 S199 S217 I221 S222 K223	A148-Y219 WeakPolarHBondContact O-CD2 3.37Å; D149-Y219 HydrophobicContact CB-CD2 3.87Å; D149-Y219 HydrophobicContact CB-CE2 4.17Å; D149-Y219 HydrophobicContact CB-CG 4.22Å; D149-Y219 VanDerWaalsContact OD1-CB 3.23Å; D149-Y219 WeakPolarHBondContact OD1-CB 3.49Å; H163-Y219 PolarHBondContact CD2-N 2.95Å; S199-Y219 WeakPolarHBondContact OG-CD1 3.43Å; S199-Y219 VanDerWaalsContact OG-CE1 3.28Å; S199-Y219 WeakPolarHBondContact OG-CE1 3.49Å; S217-Y219 PolarHBondContact O-N 3.1Å; Y219-I221 VanDerWaalsContact C-N 3.31Å; Y219-I221 PolarHBondContact O-N 3.09Å; Y219-S222 PolarHBondContact O-N 2.96Å; Y219-S222 PolarHBondContact O-OG 3.04Å; Y219-K223 HydrophobicContact CD1-CG 4.35Å; Y219-K223 HydrophobicContact CD2-CG 4.31Å; Y219-K223 HydrophobicContact CE1-CG 4.01Å; Y219-K223 HydrophobicContact CE2-CD 4.24Å; Y219-K223 HydrophobicContact CE2-CG 3.97Å; Y219-K223 HydrophobicContact CG-CG 4.49Å; Y219-K223 VanDerWaalsContact CZ-CE 3.5Å; Y219-K223 WeakPolarHBondContact O-CG 3.12Å; Y219-K223 PolarHBondContact O-N 3.18Å; Y219-K223 WeakPolarHBondContact OH-CE 3.36Å
220	A	92.8	Very high	94.3	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-57.9	-45.2	179.4	0	0	0	0	0	111.8	S199 A203 S217 K223 L224	S199-A220 VanDerWaalsContact O-CB 3.25Å; S199-A220 WeakPolarHBondContact O-CB 3.5Å; A203-A220 HydrophobicContact CB-CB 3.99Å; A203-A220 WeakPolarHBondContact CB-O 3.13Å; S217-A220 PolarHBondContact O-N 3.3Å; S217-A220 VanDerWaalsContact O-N 3.17Å; S217-A220 WeakPolarHBondContact OG-CB 3.5Å; S217-A220 PolarHBondContact OG-N 3.39Å; A220-K223 PolarHBondContact O-N 2.9Å; A220-L224 PolarHBondContact O-N 2.85Å
221	I	96.1	Very high	94.8	Very high	11 Å²	11	21.3 Å²	21.3	6%	0.056	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-48.4	177.1	-73.2	167.4	0	0	0	110.5	A203 L205 G214 S217 G218 Y219 K223 L224 M225	A203-I221 HydrophobicContact CB-CB 4.49Å; A203-I221 HydrophobicContact CB-CG1 3.94Å; L205-I221 HydrophobicContact CD2-CG2 3.89Å; G214-I221 WeakPolarHBondContact O-CD1 3.31Å; S217-I221 WeakPolarHBondContact O-CB 3.27Å; S217-I221 WeakPolarHBondContact O-CG1 3.46Å; S217-I221 PolarHBondContact O-N 3.37Å; G218-I221 PolarHBondContact O-N 3.41Å; Y219-I221 VanDerWaalsContact C-N 3.31Å; Y219-I221 PolarHBondContact O-N 3.09Å; I221-K223 VanDerWaalsContact C-N 3.3Å; I221-K223 PolarHBondContact O-N 2.84Å; I221-L224 WeakPolarHBondContact O-CB 3.24Å; I221-L224 PolarHBondContact O-N 2.79Å; I221-M225 HydrophobicContact CG2-CE 3.33Å; I221-M225 WeakPolarHBondContact O-CG 3.49Å; I221-M225 PolarHBondContact O-N 3.44Å
222	S	97.1	Very high	95.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-36.8	177.9	76.1	0	0	0	0	112.9	N167 G218 Y219 M225 N226	N167-S222 WeakPolarHBondContact CB-OG 3.44Å; N167-S222 PolarHBondContact ND2-OG 2.99Å; G218-S222 WeakPolarHBondContact O-CB 3.48Å; G218-S222 PolarHBondContact O-N 3.5Å; G218-S222 PolarHBondContact O-OG 2.74Å; Y219-S222 PolarHBondContact O-N 2.96Å; Y219-S222 PolarHBondContact O-OG 3.04Å; S222-M225 PolarHBondContact O-N 2.91Å; S222-N226 PolarHBondContact O-N 2.88Å; S222-N226 PolarHBondContact O-OD1 3.34Å
223	K	96.7	Very high	95.6	Very high	5 Å²	5	16.7 Å²	16.7	2%	0.022	10%	0.104	C	C	.	.	H	α-helix	trans	-74.9	-28.2	179.1	-65.8	-64.8	179.2	-171.3	0	112.6	L195 S196 H200 Y219 A220 I221 N226 V227	L195-K223 PolarHBondContact O-NZ 3.44Å; S196-K223 PolarHBondContact OG-O 2.94Å; H200-K223 HydrophobicContact CB-CB 4.36Å; Y219-K223 HydrophobicContact CD1-CG 4.35Å; Y219-K223 HydrophobicContact CD2-CG 4.31Å; Y219-K223 HydrophobicContact CE1-CG 4.01Å; Y219-K223 HydrophobicContact CE2-CD 4.24Å; Y219-K223 HydrophobicContact CE2-CG 3.97Å; Y219-K223 HydrophobicContact CG-CG 4.49Å; Y219-K223 VanDerWaalsContact CZ-CE 3.5Å; Y219-K223 WeakPolarHBondContact O-CG 3.12Å; Y219-K223 PolarHBondContact O-N 3.18Å; Y219-K223 WeakPolarHBondContact OH-CE 3.36Å; A220-K223 PolarHBondContact O-N 2.9Å; I221-K223 VanDerWaalsContact C-N 3.3Å; I221-K223 PolarHBondContact O-N 2.84Å; K223-N226 PolarHBondContact O-N 3.23Å; K223-V227 PolarHBondContact O-N 3.21Å
224	L	97.6	Very high	95.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-42.8	166.8	176.6	57.5	0	0	0	111.6	H200 A203 L205 A220 I221 N226 V227 I228 N309 A312	H200-L224 HydrophobicContact CB-CB 4.09Å; A203-L224 HydrophobicContact CB-CB 4.06Å; A203-L224 HydrophobicContact CB-CD2 3.87Å; L205-L224 HydrophobicContact CD1-CD2 4.39Å; L205-L224 HydrophobicContact CG-CD2 3.98Å; A220-L224 PolarHBondContact O-N 2.85Å; I221-L224 WeakPolarHBondContact O-CB 3.24Å; I221-L224 PolarHBondContact O-N 2.79Å; L224-N226 VanDerWaalsContact C-N 3.28Å; L224-N226 PolarHBondContact O-N 3.34Å; L224-V227 PolarHBondContact O-N 3.2Å; L224-V227 VanDerWaalsContact O-N 3.11Å; L224-I228 HydrophobicContact CD1-CD1 4.4Å; L224-I228 HydrophobicContact CG-CD1 4.22Å; L224-I228 PolarHBondContact O-N 3.23Å; L224-I228 VanDerWaalsContact O-N 3.09Å; L224-N309 HydrophobicContact CD1-CB 3.59Å; L224-A312 HydrophobicContact CD1-CB 4.23Å
225	M	97.8	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-35	175.3	-65.1	-171.4	-144.9	0	0	112.6	L164 H168 L205 L212 I221 S222 V227 I228 H229 V321	L164-M225 HydrophobicContact CD1-CE 3.66Å; L164-M225 HydrophobicContact CD1-SD 3.27Å; L164-M225 WeakPolarHBondContact CD1-SD 3.5Å; L164-M225 HydrophobicContact CD2-CE 4.39Å; H168-M225 HydrophobicContact CB-CB 4.19Å; H168-M225 WeakPolarHBondContact ND1-CB 3.41Å; L205-M225 HydrophobicContact CD1-CG 4.45Å; L205-M225 HydrophobicContact CD2-CE 3.77Å; L205-M225 HydrophobicContact CD2-CG 4.45Å; L212-M225 HydrophobicContact CB-CE 3.33Å; L212-M225 HydrophobicContact CB-SD 3.88Å; L212-M225 HydrophobicContact CD1-CE 4.26Å; L212-M225 HydrophobicContact CD1-SD 3.65Å; L212-M225 HydrophobicContact CG-CE 4.34Å; L212-M225 HydrophobicContact CG-SD 4.29Å; L212-M225 WeakPolarHBondContact O-CE 3.4Å; I221-M225 HydrophobicContact CG2-CE 3.33Å; I221-M225 WeakPolarHBondContact O-CG 3.49Å; I221-M225 PolarHBondContact O-N 3.44Å; S222-M225 PolarHBondContact O-N 2.91Å; M225-V227 VanDerWaalsContact C-N 3.3Å; M225-V227 PolarHBondContact O-N 2.8Å; M225-I228 CarbonylContact O-C 3.58Å; M225-I228 PolarHBondContact O-N 2.79Å; M225-H229 VanDerWaalsContact O-CB 3.25Å; M225-H229 WeakPolarHBondContact O-CB 3.46Å; M225-H229 PolarHBondContact O-N 3.08Å; M225-V321 HydrophobicContact CG-CG1 4.25Å; M225-V321 HydrophobicContact SD-CG1 4.49Å
226	N	98.5	Very high	96.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.6	-36.9	173.2	-75.4	7.1	0	0	0	113.2	N167 I194 L195 S222 K223 L224 A230	N167-N226 PolarHBondContact O-ND2 2.94Å; N167-N226 PolarHBondContact O-OD1 3.37Å; I194-N226 HydrophobicContact CG2-CB 3.67Å; L195-N226 PolarHBondContact O-ND2 3.04Å; S222-N226 PolarHBondContact O-N 2.88Å; S222-N226 PolarHBondContact O-OD1 3.34Å; K223-N226 PolarHBondContact O-N 3.23Å; L224-N226 VanDerWaalsContact C-N 3.28Å; L224-N226 PolarHBondContact O-N 3.34Å; N226-A230 PolarHBondContact O-N 2.98Å
227	V	98.5	Very high	96.6	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-66.9	-45.9	174.4	-176	0	0	0	0	110.4	S196 H200 K223 L224 M225 H229 A230 R231 F299 C308 A312	S196-V227 VanDerWaalsContact OG-CG2 3.23Å; S196-V227 WeakPolarHBondContact OG-CG2 3.43Å; H200-V227 HydrophobicContact CB-CG2 4.36Å; K223-V227 PolarHBondContact O-N 3.21Å; L224-V227 PolarHBondContact O-N 3.2Å; L224-V227 VanDerWaalsContact O-N 3.11Å; M225-V227 VanDerWaalsContact C-N 3.3Å; M225-V227 PolarHBondContact O-N 2.8Å; V227-H229 VanDerWaalsContact C-N 3.31Å; V227-H229 PolarHBondContact O-N 2.95Å; V227-A230 PolarHBondContact O-N 3.03Å; V227-R231 PolarHBondContact O-N 2.88Å; V227-F299 HydrophobicContact CG1-CB 4.44Å; V227-F299 HydrophobicContact CG2-CD2 3.99Å; V227-F299 HydrophobicContact CG2-CE2 4.29Å; V227-C308 HydrophobicContact CG1-CB 3.87Å; V227-A312 HydrophobicContact CB-CB 4.16Å; V227-A312 HydrophobicContact CG1-CB 3.62Å
228	I	98.3	Very high	96.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-60.4	-43.4	177.2	-71.5	168	0	0	0	111	L205 L224 M225 A230 R231 E232 A312 I317 C318 V321	L205-I228 HydrophobicContact CD1-CD1 3.67Å; L224-I228 HydrophobicContact CD1-CD1 4.4Å; L224-I228 HydrophobicContact CG-CD1 4.22Å; L224-I228 PolarHBondContact O-N 3.23Å; L224-I228 VanDerWaalsContact O-N 3.09Å; M225-I228 CarbonylContact O-C 3.58Å; M225-I228 PolarHBondContact O-N 2.79Å; I228-A230 PolarHBondContact O-N 2.87Å; I228-R231 PolarHBondContact O-N 3.45Å; I228-E232 HydrophobicContact CG2-CG 4.26Å; I228-E232 WeakPolarHBondContact O-CG 3.22Å; I228-E232 PolarHBondContact O-N 3.38Å; I228-A312 HydrophobicContact CG1-CB 3.83Å; I228-I317 HydrophobicContact CD1-CG2 4.46Å; I228-C318 HydrophobicContact CG2-CB 4Å; I228-V321 HydrophobicContact CD1-CG2 4.03Å; I228-V321 HydrophobicContact CG2-CB 3.87Å; I228-V321 HydrophobicContact CG2-CG1 3.79Å; I228-V321 HydrophobicContact CG2-CG2 4.39Å
229	H	98.4	Very high	96.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-46	-178.8	-174.3	-159.9	0	0	0	111.4	F172 I194 M225 V227 R231 E232 I233 W322	F172-H229 AromaticContact CD2-CD2 3.56Å; F172-H229 AromaticContact CD2-CE1 3.76Å; F172-H229 AromaticContact CD2-NE2 3.34Å; F172-H229 VanDerWaalsContact CD2-NE2 3.34Å; F172-H229 WeakPolarHBondContact CD2-NE2 3.16Å; F172-H229 AromaticContact CE2-CD2 3.91Å; F172-H229 AromaticContact CE2-NE2 3.91Å; I194-H229 HydrophobicContact CD1-CB 4.16Å; I194-H229 WeakPolarHBondContact CD1-ND1 3.21Å; M225-H229 VanDerWaalsContact O-CB 3.25Å; M225-H229 WeakPolarHBondContact O-CB 3.46Å; M225-H229 PolarHBondContact O-N 3.08Å; V227-H229 VanDerWaalsContact C-N 3.31Å; V227-H229 PolarHBondContact O-N 2.95Å; H229-R231 VanDerWaalsContact C-N 3.31Å; H229-R231 PolarHBondContact O-N 2.97Å; H229-E232 PolarHBondContact O-N 3.3Å; H229-I233 WeakPolarHBondContact NE2-CD1 3.28Å; H229-I233 WeakPolarHBondContact O-CG1 3.44Å; H229-I233 PolarHBondContact O-N 2.95Å; H229-W322 AromaticContact CD2-CZ3 3.79Å
230	A	98.5	Very high	96.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.7	-41.1	177.3	0	0	0	0	0	112.3	I194 N226 V227 I228 C234 S244	I194-A230 HydrophobicContact CD1-CB 4.1Å; I194-A230 HydrophobicContact CG1-CB 4.39Å; N226-A230 PolarHBondContact O-N 2.98Å; V227-A230 PolarHBondContact O-N 3.03Å; I228-A230 PolarHBondContact O-N 2.87Å; A230-C234 PolarHBondContact O-N 2.75Å; A230-S244 WeakPolarHBondContact CA-OG 3.28Å; A230-S244 WeakPolarHBondContact O-CB 3.19Å
231	R	98.2	Very high	96.6	Very high	56 Å²	56	32.5 Å²	32.5	21%	0.211	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-46.2	176.3	-175.2	-179.8	-178.4	-110.5	-6.7	112.1	V227 I228 H229 C234 K235 A312 D315 C318	V227-R231 PolarHBondContact O-N 2.88Å; I228-R231 PolarHBondContact O-N 3.45Å; H229-R231 VanDerWaalsContact C-N 3.31Å; H229-R231 PolarHBondContact O-N 2.97Å; R231-C234 PolarHBondContact O-N 2.99Å; R231-K235 PolarHBondContact O-N 2.91Å; R231-A312 WeakPolarHBondContact CD-O 3.47Å; R231-A312 PolarHBondContact NE-O 2.79Å; R231-D315 IonicContact CZ-OD1 2.99Å; R231-D315 IonicContact NH1-OD1 3.36Å; R231-D315 PolarHBondContact NH1-OD1 3.39Å; R231-D315 IonicContact NH2-OD1 2.63Å; R231-D315 PolarHBondContact NH2-OD1 3.46Å; R231-C318 PolarHBondContact NH1-SG 3.2Å
232	E	98.4	Very high	96.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-68.4	-34.8	-179.1	-75	-69.6	111.8	0	0	112.7	I228 H229 C234 K235 R236 C318 W322	I228-E232 HydrophobicContact CG2-CG 4.26Å; I228-E232 WeakPolarHBondContact O-CG 3.22Å; I228-E232 PolarHBondContact O-N 3.38Å; H229-E232 PolarHBondContact O-N 3.3Å; E232-C234 VanDerWaalsContact C-N 3.34Å; E232-C234 PolarHBondContact O-N 2.95Å; E232-K235 PolarHBondContact O-N 3.25Å; E232-R236 VanDerWaalsContact O-CB 3.29Å; E232-R236 WeakPolarHBondContact O-CB 3.49Å; E232-R236 VanDerWaalsContact O-CG 3.24Å; E232-R236 WeakPolarHBondContact O-CG 3.48Å; E232-R236 PolarHBondContact O-N 2.81Å; E232-R236 IonicContact OE2-CZ 2.77Å; E232-R236 IonicContact OE2-NE 2.84Å; E232-R236 PolarHBondContact OE2-NE 3.44Å; E232-R236 IonicContact OE2-NH2 3.6Å; E232-R236 PolarHBondContact OE2-NH2 3.39Å; E232-C318 HydrophobicContact CG-CB 3.81Å; E232-C318 VanDerWaalsContact OE1-CB 3.29Å; E232-C318 WeakPolarHBondContact OE1-CB 3.2Å; E232-W322 HydrophobicContact CB-CD2 4.3Å; E232-W322 HydrophobicContact CB-CE3 3.36Å; E232-W322 HydrophobicContact CB-CZ3 3.77Å; E232-W322 HydrophobicContact CG-CB 4.48Å; E232-W322 HydrophobicContact CG-CE3 4.22Å
233	I	98	Very high	96.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.2	-50.1	171.2	-73.5	165.8	0	0	0	110	T175 V192 I194 H229 K235 R236 W237 I242 S244 W322	T175-I233 HydrophobicContact CG2-CD1 3.87Å; V192-I233 HydrophobicContact CB-CD1 4.47Å; V192-I233 HydrophobicContact CG1-CD1 4Å; I194-I233 HydrophobicContact CD1-CD1 3.84Å; H229-I233 WeakPolarHBondContact NE2-CD1 3.28Å; H229-I233 WeakPolarHBondContact O-CG1 3.44Å; H229-I233 PolarHBondContact O-N 2.95Å; I233-K235 VanDerWaalsContact C-N 3.32Å; I233-K235 PolarHBondContact O-N 3.15Å; I233-R236 PolarHBondContact O-N 2.82Å; I233-W237 HydrophobicContact CB-CE3 4.33Å; I233-W237 HydrophobicContact CD1-CZ3 4.46Å; I233-W237 HydrophobicContact CG1-CE3 4.2Å; I233-W237 HydrophobicContact CG1-CH2 4.37Å; I233-W237 HydrophobicContact CG1-CZ3 4.01Å; I233-W237 HydrophobicContact CG2-CD2 4.19Å; I233-W237 HydrophobicContact CG2-CE3 3.55Å; I233-W237 HydrophobicContact CG2-CZ3 4.07Å; I233-W237 WeakPolarHBondContact O-CA 3.35Å; I233-W237 WeakPolarHBondContact O-CB 3.35Å; I233-W237 PolarHBondContact O-N 2.63Å; I233-I242 HydrophobicContact CG2-CG2 3.94Å; I233-S244 VanDerWaalsContact CG2-CB 3.48Å; I233-W322 HydrophobicContact CG1-CH2 4.3Å; I233-W322 HydrophobicContact CG1-CZ3 4.06Å
234	C	96	Very high	96.6	Very high	12 Å²	12	33.3 Å²	33.3	8%	0.081	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-43.5	178.8	-71	0	0	0	0	112.2	A230 R231 E232 R236 S238 S244 P296 G297	A230-C234 PolarHBondContact O-N 2.75Å; R231-C234 PolarHBondContact O-N 2.99Å; E232-C234 VanDerWaalsContact C-N 3.34Å; E232-C234 PolarHBondContact O-N 2.95Å; C234-R236 VanDerWaalsContact C-N 3.29Å; C234-R236 PolarHBondContact O-N 3.44Å; C234-S238 WeakPolarHBondContact O-CB 3.25Å; C234-S238 PolarHBondContact O-N 3.14Å; C234-S238 PolarHBondContact O-OG 2.67Å; C234-S244 PolarHBondContact SG-N 3.38Å; C234-S244 PolarHBondContact SG-O 2.79Å; C234-P296 HydrophobicContact CB-CB 4.1Å; C234-G297 PolarHBondContact SG-N 3.49Å
235	K	96.7	Very high	96.7	Very high	107 Å²	107	33.4 Å²	33.4	47%	0.465	17%	0.168	S	C	.	.	H	α-helix	trans	-62.6	-39.4	-179.5	-171.6	174.1	-178.9	174.1	0	111.6	R231 E232 I233 D315	R231-K235 PolarHBondContact O-N 2.91Å; E232-K235 PolarHBondContact O-N 3.25Å; I233-K235 VanDerWaalsContact C-N 3.32Å; I233-K235 PolarHBondContact O-N 3.15Å; K235-D315 IonicContact NZ-OD1 2.8Å; K235-D315 IonicContact NZ-OD2 2.91Å; K235-D315 PolarHBondContact NZ-OD2 3.08Å
236	R	97.6	Very high	96.7	Very high	88 Å²	88	33.4 Å²	33.4	33%	0.332	17%	0.168	S	C	.	.	H	α-helix	trans	-91	-30.3	-172.2	-66.3	171.2	-176.1	-94.3	-5	113.8	E232 I233 C234 N319 W322	E232-R236 VanDerWaalsContact O-CB 3.29Å; E232-R236 WeakPolarHBondContact O-CB 3.49Å; E232-R236 VanDerWaalsContact O-CG 3.24Å; E232-R236 WeakPolarHBondContact O-CG 3.48Å; E232-R236 PolarHBondContact O-N 2.81Å; E232-R236 IonicContact OE2-CZ 2.77Å; E232-R236 IonicContact OE2-NE 2.84Å; E232-R236 PolarHBondContact OE2-NE 3.44Å; E232-R236 IonicContact OE2-NH2 3.6Å; E232-R236 PolarHBondContact OE2-NH2 3.39Å; I233-R236 PolarHBondContact O-N 2.82Å; C234-R236 VanDerWaalsContact C-N 3.29Å; C234-R236 PolarHBondContact O-N 3.44Å; R236-N319 PolarHBondContact NH2-OD1 3.41Å; R236-W322 VanDerWaalsContact CD-CD2 3.49Å; R236-W322 VanDerWaalsContact NE-CD2 3.3Å
237	W	96.2	Very high	96.7	Very high	21 Å²	21	33.4 Å²	33.4	8%	0.08	17%	0.168	C	C	.	.	H	α-helix	trans	-122.2	17.4	-169.7	-51.6	-20.1	0	0	0	113.2	T175 K176 K179 I233 E239 D240 I242 W322	T175-W237 HydrophobicContact CG2-CH2 3.9Å; T175-W237 HydrophobicContact CG2-CZ3 3.66Å; K176-W237 HydrophobicContact CG-CH2 4.22Å; K176-W237 HydrophobicContact CG-CZ2 4.15Å; K179-W237 HydrophobicContact CD-CD2 4.02Å; K179-W237 HydrophobicContact CD-CE3 4.37Å; K179-W237 HydrophobicContact CD-CG 4.45Å; K179-W237 HydrophobicContact CD-CH2 4.39Å; K179-W237 HydrophobicContact CD-CZ2 4.01Å; K179-W237 HydrophobicContact CG-CE3 4.45Å; I233-W237 HydrophobicContact CB-CE3 4.33Å; I233-W237 HydrophobicContact CD1-CZ3 4.46Å; I233-W237 HydrophobicContact CG1-CE3 4.2Å; I233-W237 HydrophobicContact CG1-CH2 4.37Å; I233-W237 HydrophobicContact CG1-CZ3 4.01Å; I233-W237 HydrophobicContact CG2-CD2 4.19Å; I233-W237 HydrophobicContact CG2-CE3 3.55Å; I233-W237 HydrophobicContact CG2-CZ3 4.07Å; I233-W237 WeakPolarHBondContact O-CA 3.35Å; I233-W237 WeakPolarHBondContact O-CB 3.35Å; I233-W237 PolarHBondContact O-N 2.63Å; W237-E239 VanDerWaalsContact C-N 3.27Å; W237-E239 PolarHBondContact O-N 2.97Å; W237-D240 WeakPolarHBondContact O-CB 3.34Å; W237-D240 PolarHBondContact O-N 3.07Å; W237-D240 VanDerWaalsContact O-N 3.13Å; W237-I242 HydrophobicContact CB-CB 4.25Å; W237-I242 HydrophobicContact CB-CD1 4.22Å; W237-I242 HydrophobicContact CE3-CD1 4Å; W237-I242 HydrophobicContact CE3-CG2 4.46Å; W237-I242 PolarHBondContact O-N 3.44Å; W237-W322 AromaticContact CE2-CH2 3.9Å; W237-W322 HydrophobicContact CH2-CH2 4.2Å; W237-W322 AromaticContact CZ2-CH2 3.55Å; W237-W322 HydrophobicContact CZ2-CH2 3.55Å; W237-W322 AromaticContact CZ2-CZ2 3.88Å; W237-W322 HydrophobicContact CZ2-CZ2 3.88Å
238	S	91.6	Very high	96.4	Very high	73 Å²	73	33.7 Å²	33.7	51%	0.51	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-60.5	-36.5	175.9	45.1	0	0	0	0	112.7	C234 D240 G241	C234-S238 WeakPolarHBondContact O-CB 3.25Å; C234-S238 PolarHBondContact O-N 3.14Å; C234-S238 PolarHBondContact O-OG 2.67Å; S238-D240 PolarHBondContact O-N 2.81Å; S238-G241 PolarHBondContact O-N 3.33Å
239	E	92.3	Very high	95.9	Very high	195 Å²	195	34.3 Å²	34.3	91%	0.911	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-65.7	-24.5	176.5	-62.8	-174.3	169.7	0	0	112.9	W237 G241	W237-E239 VanDerWaalsContact C-N 3.27Å; W237-E239 PolarHBondContact O-N 2.97Å; E239-G241 PolarHBondContact O-N 2.94Å
240	D	92.5	Very high	95.1	Very high	79 Å²	79	34.7 Å²	34.7	42%	0.422	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-79.6	0.4	174.3	-58.1	-71.6	0	0	0	112.5	K179 W237 S238 I242	K179-D240 WeakPolarHBondContact CE-OD2 3.49Å; K179-D240 IonicContact NZ-OD1 3.32Å; K179-D240 PolarHBondContact NZ-OD1 3.05Å; K179-D240 IonicContact NZ-OD2 3.63Å; K179-D240 PolarHBondContact NZ-OD2 3.08Å; W237-D240 WeakPolarHBondContact O-CB 3.34Å; W237-D240 PolarHBondContact O-N 3.07Å; W237-D240 VanDerWaalsContact O-N 3.13Å; S238-D240 PolarHBondContact O-N 2.81Å; D240-I242 VanDerWaalsContact C-N 3.33Å; D240-I242 HydrophobicContact CB-CD1 4Å; D240-I242 HydrophobicContact CB-CG1 4.05Å
241	G	93	Very high	94	Very high	28 Å²	28	37.7 Å²	37.7	29%	0.289	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	25.8	-175.2	0	0	0	0	0	113.5	P189 C190 S238 E239	P189-G241 WeakPolarHBondContact CA-O 3.33Å; P189-G241 WeakPolarHBondContact CB-O 3.23Å; C190-G241 PolarHBondContact N-O 3.34Å; S238-G241 PolarHBondContact O-N 3.33Å; E239-G241 PolarHBondContact O-N 2.94Å
242	I	96.1	Very high	92.7	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.9	179.2	-56.7	174.2	0	0	0	109.8	K179 L182 C190 V192 I233 W237 D240	K179-I242 HydrophobicContact CG-CD1 4.37Å; L182-I242 HydrophobicContact CB-CD1 3.87Å; L182-I242 HydrophobicContact CB-CG1 4.47Å; C190-I242 HydrophobicContact CB-CG1 4.14Å; V192-I242 HydrophobicContact CG2-CG2 3.9Å; I233-I242 HydrophobicContact CG2-CG2 3.94Å; W237-I242 HydrophobicContact CB-CB 4.25Å; W237-I242 HydrophobicContact CB-CD1 4.22Å; W237-I242 HydrophobicContact CE3-CD1 4Å; W237-I242 HydrophobicContact CE3-CG2 4.46Å; W237-I242 PolarHBondContact O-N 3.44Å; D240-I242 VanDerWaalsContact C-N 3.33Å; D240-I242 HydrophobicContact CB-CD1 4Å; D240-I242 HydrophobicContact CB-CG1 4.05Å
243	I	97	Very high	91	Very high	31 Å²	31	41.2 Å²	41.2	16%	0.159	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.5	168.6	-64.3	-179.6	0	0	0	108.4	P189 C190 R191 V192 V245 L294 P296	P189-I243 HydrophobicContact CB-CD1 3.73Å; P189-I243 HydrophobicContact CB-CG1 3.88Å; P189-I243 HydrophobicContact CG-CD1 3.47Å; P189-I243 VanDerWaalsContact CG-CD1 3.47Å; P189-I243 HydrophobicContact CG-CG1 4.17Å; C190-I243 PolarHBondContact O-N 3.46Å; R191-I243 CarbonylContact C-O 3.52Å; R191-I243 VanDerWaalsContact CA-O 3.28Å; R191-I243 WeakPolarHBondContact CA-O 3.35Å; V192-I243 PolarHBondContact N-O 3.2Å; I243-V245 HydrophobicContact CG2-CG1 4.45Å; I243-L294 HydrophobicContact CG2-CB 4.24Å; I243-P296 HydrophobicContact CD1-CG 4.34Å; I243-P296 HydrophobicContact CG1-CG 4.4Å; I243-P296 HydrophobicContact CG2-CB 4.39Å; I243-P296 HydrophobicContact CG2-CG 4.48Å
244	S	98.2	Very high	89.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.5	172.9	-174.2	0	0	0	0	111.7	V192 A230 I233 C234 G297	V192-S244 WeakPolarHBondContact O-CA 3.41Å; V192-S244 WeakPolarHBondContact O-CB 3.46Å; V192-S244 PolarHBondContact O-OG 3.16Å; A230-S244 WeakPolarHBondContact CA-OG 3.28Å; A230-S244 WeakPolarHBondContact O-CB 3.19Å; I233-S244 VanDerWaalsContact CG2-CB 3.48Å; C234-S244 PolarHBondContact SG-N 3.38Å; C234-S244 PolarHBondContact SG-O 2.79Å; S244-G297 VanDerWaalsContact O-CA 3.29Å; S244-G297 WeakPolarHBondContact O-CA 3.21Å; S244-G297 PolarHBondContact O-N 2.95Å
245	V	98.6	Very high	87.4	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.5	178.2	-65.4	0	0	0	0	109.3	V192 I193 I194 I243 C288 L294 A298 Y300	V192-V245 PolarHBondContact O-N 3.38Å; I193-V245 HydrophobicContact CG1-CG2 4.15Å; I193-V245 HydrophobicContact CG2-CG2 4.49Å; I194-V245 PolarHBondContact N-O 2.75Å; I243-V245 HydrophobicContact CG2-CG1 4.45Å; V245-C288 HydrophobicContact CG2-CB 3.88Å; V245-L294 HydrophobicContact CG1-CB 4.28Å; V245-L294 HydrophobicContact CG1-CD1 4.44Å; V245-L294 HydrophobicContact CG2-CD1 4.41Å; V245-A298 WeakPolarHBondContact CA-O 3.34Å; V245-Y300 HydrophobicContact CB-CD2 4Å; V245-Y300 HydrophobicContact CB-CE2 4.16Å; V245-Y300 HydrophobicContact CG1-CD2 4.1Å; V245-Y300 HydrophobicContact CG1-CE2 3.73Å
246	S	98.6	Very high	85.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.2	172.9	53.4	0	0	0	0	110.1	I194 A298 F299 Y300	I194-S246 CarbonylContact O-C 3.34Å; I194-S246 VanDerWaalsContact O-CA 3.25Å; I194-S246 WeakPolarHBondContact O-CA 3.41Å; S246-A298 PolarHBondContact N-O 3.23Å; S246-F299 CarbonylContact O-C 3.56Å; S246-F299 WeakPolarHBondContact O-CA 3.18Å; S246-F299 WeakPolarHBondContact OG-CA 3.34Å; S246-F299 WeakPolarHBondContact OG-CD2 3.27Å; S246-Y300 PolarHBondContact O-N 3.45Å
247	V	97.6	Very high	83.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132	-173.1	170	0	0	0	0	110.8	I193 I194 L195 S196 T284 C288 Y300	I193-V247 HydrophobicContact CG2-CB 4.37Å; I193-V247 HydrophobicContact CG2-CG2 3.64Å; I194-V247 PolarHBondContact O-N 3.23Å; L195-V247 HydrophobicContact CD1-CB 4.28Å; L195-V247 HydrophobicContact CD1-CG1 4.04Å; S196-V247 CarbonylContact C-O 3.41Å; S196-V247 WeakPolarHBondContact CA-O 3.49Å; S196-V247 PolarHBondContact N-O 3.19Å; V247-T284 HydrophobicContact CB-CG2 4.49Å; V247-T284 HydrophobicContact CG1-CG2 3.59Å; V247-T284 HydrophobicContact CG2-CG2 4.29Å; V247-C288 HydrophobicContact CG2-CB 4.13Å; V247-C288 VanDerWaalsContact CG2-SG 3.54Å; V247-Y300 CarbonylContact C-O 3.52Å; V247-Y300 WeakPolarHBondContact CA-O 3.47Å
248	H	93.2	Very high	81.5	Confident	9 Å²	9	47.4 Å²	47.4	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.2	162.1	171.8	50.3	0	0	0	110.5	S197 L198 G250 F299 Y300 S301	S197-H248 WeakPolarHBondContact CA-ND1 3.15Å; L198-H248 VanDerWaalsContact CD1-NE2 3.25Å; L198-H248 WeakPolarHBondContact CD1-NE2 3.49Å; L198-H248 VanDerWaalsContact CG-NE2 3.25Å; L198-H248 WeakPolarHBondContact CG-NE2 3.46Å; L198-H248 PolarHBondContact N-ND1 3.29Å; H248-G250 VanDerWaalsContact C-N 3.27Å; H248-G250 PolarHBondContact CD2-N 3.02Å; H248-G250 WeakPolarHBondContact CE1-CA 3.37Å; H248-G250 PolarHBondContact CE1-N 3.41Å; H248-G250 PolarHBondContact CE1-O 3.16Å; H248-G250 PolarHBondContact ND1-N 3.41Å; H248-G250 WeakPolarHBondContact NE2-CA 3.32Å; H248-G250 PolarHBondContact NE2-N 3.11Å; H248-G250 PolarHBondContact O-N 3.01Å; H248-F299 HydrophobicContact CB-CE1 4.42Å; H248-F299 HydrophobicContact CB-CE2 3.87Å; H248-F299 HydrophobicContact CB-CZ 3.48Å; H248-F299 VanDerWaalsContact CB-CZ 3.48Å; H248-Y300 PolarHBondContact N-O 2.73Å; H248-S301 PolarHBondContact CD2-OG 3.24Å
249	P	88.3	Confident	79.6	Confident	14 Å²	14	46.3 Å²	46.3	9%	0.091	23%	0.231	C	C	.	.			trans	-81.3	3.4	-178	33.2	-37.8	0	0	0	114.2	I59 L195 V252 G281	I59-P249 HydrophobicContact CD1-CB 3.68Å; I59-P249 HydrophobicContact CD1-CG 3.7Å; I59-P249 HydrophobicContact CG1-CB 4.47Å; L195-P249 HydrophobicContact CD1-CB 4.17Å; L195-P249 HydrophobicContact CD1-CG 4.06Å; P249-V252 HydrophobicContact CB-CG2 4Å; P249-V252 HydrophobicContact CG-CG2 4.4Å; P249-V252 WeakPolarHBondContact O-CG2 3.4Å; P249-G281 WeakPolarHBondContact CB-O 3.47Å; P249-G281 VanDerWaalsContact O-CA 3.32Å; P249-G281 WeakPolarHBondContact O-CA 3.31Å
250	G	81.4	Confident	77.6	Confident	9 Å²	9	39.4 Å²	39.4	9%	0.093	20%	0.203	C	C	.	.			trans	83.9	-177.9	-167	0	0	0	0	0	112.9	H248 V252	H248-G250 VanDerWaalsContact C-N 3.27Å; H248-G250 PolarHBondContact CD2-N 3.02Å; H248-G250 WeakPolarHBondContact CE1-CA 3.37Å; H248-G250 PolarHBondContact CE1-N 3.41Å; H248-G250 PolarHBondContact CE1-O 3.16Å; H248-G250 PolarHBondContact ND1-N 3.41Å; H248-G250 WeakPolarHBondContact NE2-CA 3.32Å; H248-G250 PolarHBondContact NE2-N 3.11Å; H248-G250 PolarHBondContact O-N 3.01Å; G250-V252 PolarHBondContact O-N 3.38Å; G250-V252 VanDerWaalsContact O-N 3.16Å
251	L	74.8	Confident	75.6	Confident	64 Å²	64	44.3 Å²	44.3	34%	0.335	22%	0.221	S	C	.	.	S	Bend	trans	-82.2	87.1	172.8	-175.6	66.5	0	0	0	109.3	F34 F257 T275 K276	F34-L251 HydrophobicContact CD1-CB 4Å; F34-L251 HydrophobicContact CD1-CD2 4.33Å; F34-L251 HydrophobicContact CE1-CB 3.97Å; F34-L251 HydrophobicContact CE1-CD2 3.82Å; L251-F257 HydrophobicContact CD1-CZ 4.33Å; L251-T275 HydrophobicContact CD2-CG2 3.9Å; L251-T275 HydrophobicContact CG-CG2 3.96Å; L251-T275 CarbonylContact O-C 3.52Å; L251-T275 WeakPolarHBondContact O-CA 3.37Å; L251-T275 WeakPolarHBondContact O-CB 3.29Å; L251-K276 PolarHBondContact O-N 2.83Å
252	V	70.6	Confident	74	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.042	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-94.2	137.5	-172.4	-170.1	0	0	0	0	111.7	I59 P249 G250 T254 K276 T277 G281	I59-V252 HydrophobicContact CD1-CB 3.94Å; I59-V252 HydrophobicContact CD1-CG1 4.17Å; I59-V252 HydrophobicContact CD1-CG2 3.82Å; I59-V252 HydrophobicContact CG1-CB 4.17Å; I59-V252 HydrophobicContact CG1-CG1 3.83Å; I59-V252 HydrophobicContact CG1-CG2 4.12Å; P249-V252 HydrophobicContact CB-CG2 4Å; P249-V252 HydrophobicContact CG-CG2 4.4Å; P249-V252 WeakPolarHBondContact O-CG2 3.4Å; G250-V252 PolarHBondContact O-N 3.38Å; G250-V252 VanDerWaalsContact O-N 3.16Å; V252-T254 VanDerWaalsContact C-N 3.32Å; V252-T254 HydrophobicContact CB-CG2 3.98Å; V252-T254 HydrophobicContact CG1-CG2 3.61Å; V252-T254 PolarHBondContact O-N 3.46Å; V252-K276 HydrophobicContact CG2-CB 4.21Å; V252-T277 WeakPolarHBondContact CG1-O 3.39Å; V252-G281 VanDerWaalsContact CG2-CA 3.49Å
253	R	63.4	Low	71.7	Confident	124 Å²	124	53.3 Å²	53.3	47%	0.468	27%	0.268	S	S	.	.			trans	-71.8	83.7	172.1	-167.6	-174	163.1	-174.8	-9.1	110.9	Y268 R272 K276	R253-Y268 WeakPolarHBondContact CG-OH 3.29Å; R253-R272 VanDerWaalsContact NH1-CZ 3.32Å; R253-K276 PolarHBondContact N-O 3Å
254	T	58.6	Low	69.7	Low	19 Å²	19	58.6 Å²	58.6	12%	0.117	29%	0.287	C	S	.	.			trans	-115.1	173.4	176.8	65.7	0	0	0	0	112.5	I59 V252 I256	I59-T254 HydrophobicContact CD1-CG2 3.94Å; I59-T254 HydrophobicContact CG1-CG2 3.86Å; V252-T254 VanDerWaalsContact C-N 3.32Å; V252-T254 HydrophobicContact CB-CG2 3.98Å; V252-T254 HydrophobicContact CG1-CG2 3.61Å; V252-T254 PolarHBondContact O-N 3.46Å; T254-I256 PolarHBondContact O-N 2.91Å; T254-I256 WeakPolarHBondContact OG1-CB 3.47Å; T254-I256 WeakPolarHBondContact OG1-CG1 3.17Å; T254-I256 PolarHBondContact OG1-N 3.25Å
255	S	58.4	Low	67.9	Low	39 Å²	39	64.5 Å²	64.5	27%	0.273	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-64.5	-7.9	172.1	49.7	0	0	0	0	114.2	T57 F257 R258	T57-S255 PolarHBondContact OG1-OG 3.29Å; S255-F257 PolarHBondContact O-N 3.28Å; S255-R258 VanDerWaalsContact CB-NE 3.3Å; S255-R258 WeakPolarHBondContact O-CB 3.34Å; S255-R258 WeakPolarHBondContact O-CD 3.33Å; S255-R258 WeakPolarHBondContact O-CG 3.41Å; S255-R258 PolarHBondContact O-N 3.14Å
256	I	57.1	Low	65.8	Low	42 Å²	42	69.8 Å²	69.8	22%	0.215	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-56.9	-35.9	179	-70.8	174.4	0	0	0	111.2	D149 T254 R258	D149-I256 HydrophobicContact CB-CG2 3.48Å; D149-I256 VanDerWaalsContact CB-CG2 3.48Å; T254-I256 PolarHBondContact O-N 2.91Å; T254-I256 WeakPolarHBondContact OG1-CB 3.47Å; T254-I256 WeakPolarHBondContact OG1-CG1 3.17Å; T254-I256 PolarHBondContact OG1-N 3.25Å; I256-R258 PolarHBondContact O-N 3.28Å
257	F	56.1	Low	64	Low	65 Å²	65	73.3 Å²	73.3	29%	0.285	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-80.7	9.2	178.3	-59.2	-72.1	0	0	0	114.6	L251 S255 S259 C260 Y268	L251-F257 HydrophobicContact CD1-CZ 4.33Å; S255-F257 PolarHBondContact O-N 3.28Å; F257-S259 PolarHBondContact O-N 3.03Å; F257-S259 VanDerWaalsContact O-N 3.08Å; F257-C260 WeakPolarHBondContact O-CB 3.48Å; F257-C260 PolarHBondContact O-N 2.85Å; F257-Y268 HydrophobicContact CB-CE2 4.47Å; F257-Y268 HydrophobicContact CD2-CE2 4.06Å; F257-Y268 HydrophobicContact CG-CE2 4.35Å
258	R	55	Low	62.4	Low	193 Å²	193	76.2 Å²	76.2	73%	0.728	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-56.9	-25.7	178.5	-82.5	174.7	-176.8	-176.7	5.2	113	S255 I256	S255-R258 VanDerWaalsContact CB-NE 3.3Å; S255-R258 WeakPolarHBondContact O-CB 3.34Å; S255-R258 WeakPolarHBondContact O-CD 3.33Å; S255-R258 WeakPolarHBondContact O-CG 3.41Å; S255-R258 PolarHBondContact O-N 3.14Å; I256-R258 PolarHBondContact O-N 3.28Å
259	S	51.4	Low	61	Low	50 Å²	50	82.5 Å²	82.5	35%	0.35	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-85.7	-11	-179	-48.3	0	0	0	0	113.8	F257 K261	F257-S259 PolarHBondContact O-N 3.03Å; F257-S259 VanDerWaalsContact O-N 3.08Å; S259-K261 PolarHBondContact O-N 2.94Å
260	C	50.1	Low	59.7	Low	50 Å²	50	86.8 Å²	86.8	34%	0.338	42%	0.419	S	S	.	.			trans	-74.9	86.7	179.5	-67.7	0	0	0	0	111.1	F257	F257-C260 WeakPolarHBondContact O-CB 3.48Å; F257-C260 PolarHBondContact O-N 2.85Å
261	K	50.9	Low	59	Low	183 Å²	183	90.7 Å²	90.7	80%	0.796	43%	0.434	S	S	*	.			trans	-89.2	154.7	171.5	-65.1	-175.4	179.6	179.6	0	111.2	S259	S259-K261 PolarHBondContact O-N 2.94Å
262	G	59.5	Low	58.6	Low	57 Å²	57	92 Å²	92	59%	0.588	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-144.1	170.6	0	0	0	0	0	115.1	Y264 F265	G262-Y264 PolarHBondContact O-N 2.84Å; G262-F265 WeakPolarHBondContact O-CB 3.31Å; G262-F265 PolarHBondContact O-N 3.46Å
263	K	46.6	Very low	58.6	Low	162 Å²	162	96.5 Å²	96.5	70%	0.704	45%	0.451	S	S	*	.	H	α-helix	trans	-53.9	-26.2	-171.1	60.3	-175.8	177.4	-178.6	0	115.6	F265	K263-F265 VanDerWaalsContact C-N 3.32Å
264	Y	55.3	Low	58.9	Low	142 Å²	142	91.1 Å²	91.1	56%	0.557	43%	0.431	S	S	*	.	H	α-helix	trans	-75.5	-20	176.9	-61.1	-74.8	0	0	0	113.3	G262 V267 Y268	G262-Y264 PolarHBondContact O-N 2.84Å; Y264-V267 PolarHBondContact O-N 3.44Å; Y264-Y268 VanDerWaalsContact O-CB 3.28Å; Y264-Y268 WeakPolarHBondContact O-CB 3.08Å; Y264-Y268 PolarHBondContact O-N 2.77Å
265	F	59.9	Low	59.6	Low	124 Å²	124	91.2 Å²	91.2	54%	0.544	43%	0.432	S	S	.	.	H	α-helix	trans	-63.7	-41.8	177	-178.2	-97.8	0	0	0	111.8	G262 K263 Y268 Y269	G262-F265 WeakPolarHBondContact O-CB 3.31Å; G262-F265 PolarHBondContact O-N 3.46Å; K263-F265 VanDerWaalsContact C-N 3.32Å; F265-Y268 PolarHBondContact O-N 3.32Å; F265-Y269 WeakPolarHBondContact O-CB 3.26Å; F265-Y269 PolarHBondContact O-N 3.18Å
266	L	56.2	Low	60.7	Low	113 Å²	113	89.7 Å²	89.7	59%	0.592	42%	0.42	S	S	*	.	H	α-helix	trans	-67.2	-42.8	179.1	-172.7	66.1	0	0	0	111.3	Y269 L270	L266-Y269 PolarHBondContact O-N 2.68Å; L266-L270 HydrophobicContact CG-CD1 4.25Å; L266-L270 WeakPolarHBondContact O-CB 3.48Å; L266-L270 VanDerWaalsContact O-CG 3.3Å; L266-L270 WeakPolarHBondContact O-CG 3.49Å; L266-L270 PolarHBondContact O-N 3.3Å
267	V	60.3	Low	62.1	Low	74 Å²	74	91.2 Å²	91.2	45%	0.448	43%	0.432	S	S	.	.	H	α-helix	trans	-60.4	-49.7	174	176.3	0	0	0	0	110.1	Y264 Y269 L270 F271	Y264-V267 PolarHBondContact O-N 3.44Å; V267-Y269 VanDerWaalsContact C-N 3.31Å; V267-Y269 PolarHBondContact O-N 2.83Å; V267-L270 PolarHBondContact O-N 3.14Å; V267-F271 HydrophobicContact CG1-CD2 3.63Å; V267-F271 HydrophobicContact CG1-CE2 3.87Å; V267-F271 WeakPolarHBondContact O-CD2 3.22Å; V267-F271 PolarHBondContact O-N 3.41Å
268	Y	62.7	Low	63.7	Low	60 Å²	60	89.5 Å²	89.5	24%	0.235	43%	0.427	C	S	.	.	H	α-helix	trans	-57.2	-43.2	175.8	172.1	-101.5	0	0	0	112.2	R253 F257 Y264 F265 F271 R272	R253-Y268 WeakPolarHBondContact CG-OH 3.29Å; F257-Y268 HydrophobicContact CB-CE2 4.47Å; F257-Y268 HydrophobicContact CD2-CE2 4.06Å; F257-Y268 HydrophobicContact CG-CE2 4.35Å; Y264-Y268 VanDerWaalsContact O-CB 3.28Å; Y264-Y268 WeakPolarHBondContact O-CB 3.08Å; Y264-Y268 PolarHBondContact O-N 2.77Å; F265-Y268 PolarHBondContact O-N 3.32Å; Y268-F271 PolarHBondContact O-N 2.87Å; Y268-R272 WeakPolarHBondContact O-CA 3.37Å; Y268-R272 WeakPolarHBondContact O-CB 3.35Å; Y268-R272 PolarHBondContact O-N 3.45Å
269	Y	64.6	Low	65.3	Low	141 Å²	141	83 Å²	83	55%	0.553	40%	0.403	S	S	*	.	H	α-helix	trans	-62.4	-45.6	177.9	-170.1	-93.3	0	0	0	111.8	F265 L266 V267 F271 R272	F265-Y269 WeakPolarHBondContact O-CB 3.26Å; F265-Y269 PolarHBondContact O-N 3.18Å; L266-Y269 PolarHBondContact O-N 2.68Å; V267-Y269 VanDerWaalsContact C-N 3.31Å; V267-Y269 PolarHBondContact O-N 2.83Å; Y269-F271 VanDerWaalsContact C-N 3.35Å; Y269-F271 PolarHBondContact O-N 3.25Å; Y269-R272 WeakPolarHBondContact O-CB 3.4Å; Y269-R272 PolarHBondContact O-N 3.16Å
270	L	61.8	Low	67.2	Low	104 Å²	104	82.4 Å²	82.4	55%	0.545	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-34.4	178.8	-72.4	170.1	0	0	0	113	L266 V267 W273	L266-L270 HydrophobicContact CG-CD1 4.25Å; L266-L270 WeakPolarHBondContact O-CB 3.48Å; L266-L270 VanDerWaalsContact O-CG 3.3Å; L266-L270 WeakPolarHBondContact O-CG 3.49Å; L266-L270 PolarHBondContact O-N 3.3Å; V267-L270 PolarHBondContact O-N 3.14Å; L270-W273 PolarHBondContact O-NE1 2.79Å; L270-W273 VanDerWaalsContact O-NE1 3.14Å
271	F	65.2	Low	69.1	Low	91 Å²	91	80 Å²	80	40%	0.399	38%	0.379	S	S	.	.	H	α-helix	trans	-96.7	1.8	-179.6	-68.8	-68.5	0	0	0	113.9	L26 V267 Y268 Y269 W273 L274	L26-F271 HydrophobicContact CD2-CE1 4.17Å; V267-F271 HydrophobicContact CG1-CD2 3.63Å; V267-F271 HydrophobicContact CG1-CE2 3.87Å; V267-F271 WeakPolarHBondContact O-CD2 3.22Å; V267-F271 PolarHBondContact O-N 3.41Å; Y268-F271 PolarHBondContact O-N 2.87Å; Y269-F271 VanDerWaalsContact C-N 3.35Å; Y269-F271 PolarHBondContact O-N 3.25Å; F271-W273 PolarHBondContact O-N 2.78Å; F271-W273 VanDerWaalsContact O-N 3.13Å; F271-L274 HydrophobicContact CD1-CD1 3.58Å; F271-L274 HydrophobicContact CD1-CG 4.49Å; F271-L274 HydrophobicContact CE1-CD1 4.3Å; F271-L274 WeakPolarHBondContact O-CB 3.35Å; F271-L274 PolarHBondContact O-N 3.27Å
272	R	68.2	Low	71.2	Confident	92 Å²	92	71.3 Å²	71.3	35%	0.347	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-57.5	-32.7	-177.9	-163.3	-178.6	72.3	158	3	112.8	R253 Y268 Y269 L274 T275	R253-R272 VanDerWaalsContact NH1-CZ 3.32Å; Y268-R272 WeakPolarHBondContact O-CA 3.37Å; Y268-R272 WeakPolarHBondContact O-CB 3.35Å; Y268-R272 PolarHBondContact O-N 3.45Å; Y269-R272 WeakPolarHBondContact O-CB 3.4Å; Y269-R272 PolarHBondContact O-N 3.16Å; R272-L274 PolarHBondContact O-N 3.03Å; R272-T275 WeakPolarHBondContact O-CB 3.12Å; R272-T275 PolarHBondContact O-N 3.37Å; R272-T275 PolarHBondContact O-OG1 2.82Å
273	W	69.2	Low	72.9	Confident	102 Å²	102	68.8 Å²	68.8	39%	0.386	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-70.7	-14.1	179.2	70.5	-87.9	0	0	0	113.8	L26 K30 L270 F271	L26-W273 HydrophobicContact CB-CH2 3.4Å; L26-W273 VanDerWaalsContact CB-CH2 3.4Å; L26-W273 HydrophobicContact CB-CZ2 3.44Å; L26-W273 VanDerWaalsContact CB-CZ2 3.44Å; L26-W273 HydrophobicContact CD1-CZ2 3.86Å; L26-W273 HydrophobicContact CG-CZ2 4.18Å; K30-W273 HydrophobicContact CB-CZ3 4.44Å; K30-W273 HydrophobicContact CD-CE3 3.97Å; K30-W273 HydrophobicContact CD-CZ3 3.89Å; K30-W273 WeakPolarHBondContact CE-O 3.42Å; K30-W273 PolarHBondContact NZ-O 3.15Å; L270-W273 PolarHBondContact O-NE1 2.79Å; L270-W273 VanDerWaalsContact O-NE1 3.14Å; F271-W273 PolarHBondContact O-N 2.78Å; F271-W273 VanDerWaalsContact O-N 3.13Å
274	L	69.5	Low	75.2	Confident	10 Å²	10	61.2 Å²	61.2	5%	0.052	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-85.8	-9.4	170	-59.6	-179	0	0	0	112.8	L26 K30 F271 R272	L26-L274 HydrophobicContact CD2-CD1 4.39Å; K30-L274 HydrophobicContact CB-CD2 3.58Å; K30-L274 HydrophobicContact CD-CD2 4.1Å; K30-L274 HydrophobicContact CG-CD2 3.91Å; F271-L274 HydrophobicContact CD1-CD1 3.58Å; F271-L274 HydrophobicContact CD1-CG 4.49Å; F271-L274 HydrophobicContact CE1-CD1 4.3Å; F271-L274 WeakPolarHBondContact O-CB 3.35Å; F271-L274 PolarHBondContact O-N 3.27Å; R272-L274 PolarHBondContact O-N 3.03Å
275	T	74.4	Confident	77.2	Confident	21 Å²	21	54.4 Å²	54.4	13%	0.129	26%	0.255	C	S	.	.	S	Bend	trans	-85.3	149.7	-178.3	69.2	0	0	0	0	111.7	L251 R272	L251-T275 HydrophobicContact CD2-CG2 3.9Å; L251-T275 HydrophobicContact CG-CG2 3.96Å; L251-T275 CarbonylContact O-C 3.52Å; L251-T275 WeakPolarHBondContact O-CA 3.37Å; L251-T275 WeakPolarHBondContact O-CB 3.29Å; R272-T275 WeakPolarHBondContact O-CB 3.12Å; R272-T275 PolarHBondContact O-N 3.37Å; R272-T275 PolarHBondContact O-OG1 2.82Å
276	K	81.3	Confident	78.9	Confident	7 Å²	7	48.5 Å²	48.5	3%	0.03	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-79.3	151.3	175.4	-68.2	-172.7	175.2	-169.6	0	112.1	G35 H36 L251 V252 R253 E280 E302	G35-K276 WeakPolarHBondContact O-CE 3.37Å; G35-K276 PolarHBondContact O-NZ 3.09Å; H36-K276 HydrophobicContact CB-CD 4.41Å; L251-K276 PolarHBondContact O-N 2.83Å; V252-K276 HydrophobicContact CG2-CB 4.21Å; R253-K276 PolarHBondContact N-O 3Å; K276-E280 WeakPolarHBondContact CA-OE2 3.46Å; K276-E280 HydrophobicContact CB-CB 3.97Å; K276-E280 WeakPolarHBondContact CB-OE2 3.47Å; K276-E280 HydrophobicContact CD-CB 4.26Å; K276-E280 HydrophobicContact CG-CB 4.34Å; K276-E302 IonicContact NZ-OE1 3.67Å; K276-E302 PolarHBondContact NZ-OE1 3.09Å; K276-E302 IonicContact NZ-OE2 2.89Å; K276-E302 PolarHBondContact NZ-OE2 2.69Å
277	T	85.4	Confident	80.9	Confident	75 Å²	75	44.6 Å²	44.6	46%	0.46	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-67.3	159	164.4	70.5	0	0	0	0	110.5	V252 R279 E280 G281	V252-T277 WeakPolarHBondContact CG1-O 3.39Å; T277-R279 PolarHBondContact O-N 2.76Å; T277-E280 PolarHBondContact N-OE2 3.4Å; T277-E280 PolarHBondContact O-N 3.07Å; T277-E280 WeakPolarHBondContact OG1-CB 3.35Å; T277-E280 VanDerWaalsContact OG1-CG 3.26Å; T277-E280 WeakPolarHBondContact OG1-CG 3.44Å; T277-E280 PolarHBondContact OG1-N 2.87Å; T277-E280 VanDerWaalsContact OG1-N 3.14Å; T277-E280 PolarHBondContact OG1-OE2 3.03Å; T277-G281 PolarHBondContact O-N 3.48Å
278	S	89.7	Confident	82.6	Confident	28 Å²	28	41.1 Å²	41.1	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-36.7	174.6	-60.2	0	0	0	0	112.3	G58 G281 A282	G58-S278 WeakPolarHBondContact CA-OG 3.4Å; S278-G281 PolarHBondContact O-N 2.7Å; S278-A282 PolarHBondContact O-N 2.89Å
279	R	90.3	Very high	84.3	Confident	58 Å²	58	38.2 Å²	38.2	22%	0.219	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-47.8	178.9	179.8	179.9	173	-91.4	-1.9	111.1	E38 E62 T277 G281 A282 Q283	E38-R279 IonicContact OE1-CZ 2.84Å; E38-R279 IonicContact OE1-NH1 3.46Å; E38-R279 PolarHBondContact OE1-NH1 2.94Å; E38-R279 IonicContact OE1-NH2 3.67Å; E62-R279 HydrophobicContact CG-CB 4.31Å; T277-R279 PolarHBondContact O-N 2.76Å; R279-G281 PolarHBondContact O-N 3.39Å; R279-A282 PolarHBondContact O-N 3.36Å; R279-Q283 WeakPolarHBondContact O-CG 3.13Å; R279-Q283 PolarHBondContact O-NE2 3.17Å
280	E	90	Very high	85.7	Confident	36 Å²	36	31.6 Å²	31.6	17%	0.168	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-36.1	173.5	-71.2	168	164.1	0	0	111.4	H36 K276 T277 Q283	H36-E280 HydrophobicContact CB-CB 3.9Å; H36-E280 HydrophobicContact CB-CG 3.74Å; H36-E280 IonicContact CD2-OE1 2.73Å; H36-E280 IonicContact CE1-OE1 3.23Å; H36-E280 PolarHBondContact CE1-OE1 3.48Å; H36-E280 IonicContact CG-OE1 2.79Å; H36-E280 IonicContact ND1-OE1 3.2Å; H36-E280 PolarHBondContact ND1-OE1 3.44Å; H36-E280 IonicContact NE2-OE1 3.83Å; K276-E280 WeakPolarHBondContact CA-OE2 3.46Å; K276-E280 HydrophobicContact CB-CB 3.97Å; K276-E280 WeakPolarHBondContact CB-OE2 3.47Å; K276-E280 HydrophobicContact CD-CB 4.26Å; K276-E280 HydrophobicContact CG-CB 4.34Å; T277-E280 PolarHBondContact N-OE2 3.4Å; T277-E280 PolarHBondContact O-N 3.07Å; T277-E280 WeakPolarHBondContact OG1-CB 3.35Å; T277-E280 VanDerWaalsContact OG1-CG 3.26Å; T277-E280 WeakPolarHBondContact OG1-CG 3.44Å; T277-E280 PolarHBondContact OG1-N 2.87Å; T277-E280 VanDerWaalsContact OG1-N 3.14Å; T277-E280 PolarHBondContact OG1-OE2 3.03Å; E280-Q283 WeakPolarHBondContact O-CG 3.44Å; E280-Q283 PolarHBondContact O-N 3.07Å
281	G	91.1	Very high	87.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68	-31	176.9	0	0	0	0	0	114.8	P249 V252 T277 S278 R279 Q283	P249-G281 WeakPolarHBondContact CB-O 3.47Å; P249-G281 VanDerWaalsContact O-CA 3.32Å; P249-G281 WeakPolarHBondContact O-CA 3.31Å; V252-G281 VanDerWaalsContact CG2-CA 3.49Å; T277-G281 PolarHBondContact O-N 3.48Å; S278-G281 PolarHBondContact O-N 2.7Å; R279-G281 PolarHBondContact O-N 3.39Å; G281-Q283 VanDerWaalsContact C-N 3.31Å
282	A	94.1	Very high	88.6	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-74.8	-20.6	178.4	0	0	0	0	0	113	I59 E62 T63 S278 R279 T284 T285 V286	I59-A282 HydrophobicContact CG2-CB 4.27Å; E62-A282 HydrophobicContact CB-CB 3.93Å; T63-A282 WeakPolarHBondContact OG1-CB 3.24Å; S278-A282 PolarHBondContact O-N 2.89Å; R279-A282 PolarHBondContact O-N 3.36Å; A282-T284 PolarHBondContact O-N 3.24Å; A282-T285 WeakPolarHBondContact O-CA 3.34Å; A282-T285 WeakPolarHBondContact O-CB 3.48Å; A282-T285 PolarHBondContact O-N 3.33Å; A282-V286 WeakPolarHBondContact O-CG2 3.4Å; A282-V286 PolarHBondContact O-N 3.47Å
283	Q	94.5	Very high	89.8	Confident	3 Å²	3	30.5 Å²	30.5	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-40.7	-168	-63.2	-57.7	-53.2	0	0	114	C37 R279 E280 G281 T285 V286 F287	C37-Q283 WeakPolarHBondContact O-CB 3.38Å; C37-Q283 WeakPolarHBondContact O-CG 3.13Å; R279-Q283 WeakPolarHBondContact O-CG 3.13Å; R279-Q283 PolarHBondContact O-NE2 3.17Å; E280-Q283 WeakPolarHBondContact O-CG 3.44Å; E280-Q283 PolarHBondContact O-N 3.07Å; G281-Q283 VanDerWaalsContact C-N 3.31Å; Q283-T285 VanDerWaalsContact C-N 3.33Å; Q283-T285 PolarHBondContact O-N 3.37Å; Q283-V286 PolarHBondContact O-N 3.32Å; Q283-F287 VanDerWaalsContact O-CB 3.32Å; Q283-F287 WeakPolarHBondContact O-CB 3.32Å; Q283-F287 PolarHBondContact O-N 2.87Å
284	T	95.5	Very high	91	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-70.3	-33.2	178.1	-57.2	0	0	0	0	111.7	V247 A282 C288 E302 C303	V247-T284 HydrophobicContact CB-CG2 4.49Å; V247-T284 HydrophobicContact CG1-CG2 3.59Å; V247-T284 HydrophobicContact CG2-CG2 4.29Å; A282-T284 PolarHBondContact O-N 3.24Å; T284-C288 PolarHBondContact O-N 2.93Å; T284-C288 PolarHBondContact O-SG 3.24Å; T284-E302 PolarHBondContact OG1-N 3.37Å; T284-E302 VanDerWaalsContact OG1-N 3.15Å; T284-C303 PolarHBondContact OG1-N 2.81Å; T284-C303 VanDerWaalsContact OG1-N 3.09Å
285	T	97.5	Very high	92.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-45.4	173.5	-55.1	0	0	0	0	110.6	T63 I143 I193 L195 A282 Q283 C288 A289	T63-T285 HydrophobicContact CG2-CG2 3.8Å; I143-T285 HydrophobicContact CD1-CG2 4.02Å; I143-T285 HydrophobicContact CG2-CG2 3.63Å; I193-T285 HydrophobicContact CG2-CG2 4.12Å; L195-T285 HydrophobicContact CD2-CG2 4.14Å; A282-T285 WeakPolarHBondContact O-CA 3.34Å; A282-T285 WeakPolarHBondContact O-CB 3.48Å; A282-T285 PolarHBondContact O-N 3.33Å; Q283-T285 VanDerWaalsContact C-N 3.33Å; Q283-T285 PolarHBondContact O-N 3.37Å; T285-C288 CarbonylContact O-C 3.51Å; T285-C288 PolarHBondContact O-N 2.88Å; T285-A289 PolarHBondContact O-N 3.48Å
286	V	96.5	Very high	93.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-45.4	175.9	174.6	0	0	0	0	110.6	C39 E66 A282 Q283 C288 A289 L290	C39-V286 HydrophobicContact CB-CG1 4.27Å; E66-V286 HydrophobicContact CB-CG1 4.45Å; E66-V286 HydrophobicContact CB-CG2 3.9Å; E66-V286 HydrophobicContact CG-CG1 4.37Å; E66-V286 HydrophobicContact CG-CG2 4.45Å; A282-V286 WeakPolarHBondContact O-CG2 3.4Å; A282-V286 PolarHBondContact O-N 3.47Å; Q283-V286 PolarHBondContact O-N 3.32Å; V286-C288 VanDerWaalsContact C-N 3.31Å; V286-C288 PolarHBondContact O-N 3.41Å; V286-A289 WeakPolarHBondContact O-CA 3.44Å; V286-A289 WeakPolarHBondContact O-CB 3.23Å; V286-A289 PolarHBondContact O-N 3.25Å; V286-L290 HydrophobicContact CG1-CD1 3.65Å; V286-L290 HydrophobicContact CG1-CG 4.37Å; V286-L290 VanDerWaalsContact O-CG 3.26Å; V286-L290 WeakPolarHBondContact O-CG 3.43Å; V286-L290 PolarHBondContact O-N 3.38Å; V286-L290 VanDerWaalsContact O-N 3.09Å
287	F	96.6	Very high	94.2	Very high	31 Å²	31	33.3 Å²	33.3	14%	0.136	18%	0.178	C	C	.	.	H	α-helix	trans	-54.1	-48.4	173.2	174.9	-88.4	0	0	0	111.3	C39 L41 Q283 A289 L290 D291 L294 Y300 C303	C39-F287 HydrophobicContact CB-CB 4.23Å; L41-F287 HydrophobicContact CD1-CD2 3.74Å; L41-F287 HydrophobicContact CD1-CE2 3.86Å; L41-F287 HydrophobicContact CD1-CG 4.49Å; L41-F287 HydrophobicContact CG-CD2 4.18Å; L41-F287 HydrophobicContact CG-CE2 4.29Å; Q283-F287 VanDerWaalsContact O-CB 3.32Å; Q283-F287 WeakPolarHBondContact O-CB 3.32Å; Q283-F287 PolarHBondContact O-N 2.87Å; F287-A289 PolarHBondContact O-N 3.46Å; F287-L290 PolarHBondContact O-N 3.17Å; F287-L290 VanDerWaalsContact O-N 3.1Å; F287-D291 HydrophobicContact CD1-CB 4.38Å; F287-D291 HydrophobicContact CE1-CB 3.9Å; F287-D291 HydrophobicContact CE2-CB 4.3Å; F287-D291 HydrophobicContact CZ-CB 3.86Å; F287-D291 WeakPolarHBondContact O-CB 3.39Å; F287-D291 PolarHBondContact O-N 3.3Å; F287-L294 HydrophobicContact CE1-CD2 4.48Å; F287-Y300 HydrophobicContact CD1-CD1 4.34Å; F287-Y300 HydrophobicContact CE1-CD1 4.04Å; F287-Y300 AromaticContact CE1-CE1 3.82Å; F287-Y300 HydrophobicContact CE1-CE1 3.82Å; F287-C303 HydrophobicContact CB-CB 3.91Å; F287-C303 HydrophobicContact CD1-CB 4.17Å; F287-C303 HydrophobicContact CD2-CB 3.71Å; F287-C303 WeakPolarHBondContact CE1-O 3.46Å; F287-C303 HydrophobicContact CE2-CB 4.3Å; F287-C303 HydrophobicContact CG-CB 3.63Å; F287-C303 WeakPolarHBondContact CZ-O 3.4Å
288	C	97.6	Very high	94.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.8	-22.2	177.9	-63.6	0	0	0	0	113.5	I193 V245 V247 T284 T285 V286 L290 L294	I193-C288 VanDerWaalsContact CD1-C 3.44Å; I193-C288 HydrophobicContact CD1-CB 3.89Å; I193-C288 WeakPolarHBondContact CD1-O 3.44Å; I193-C288 HydrophobicContact CG1-CB 4.12Å; I193-C288 HydrophobicContact CG2-CB 4.24Å; V245-C288 HydrophobicContact CG2-CB 3.88Å; V247-C288 HydrophobicContact CG2-CB 4.13Å; V247-C288 VanDerWaalsContact CG2-SG 3.54Å; T284-C288 PolarHBondContact O-N 2.93Å; T284-C288 PolarHBondContact O-SG 3.24Å; T285-C288 CarbonylContact O-C 3.51Å; T285-C288 PolarHBondContact O-N 2.88Å; V286-C288 VanDerWaalsContact C-N 3.31Å; V286-C288 PolarHBondContact O-N 3.41Å; C288-L290 VanDerWaalsContact C-N 3.31Å; C288-L294 HydrophobicContact CB-CD2 4.33Å; C288-L294 VanDerWaalsContact O-CD1 3.27Å; C288-L294 WeakPolarHBondContact O-CD1 3.49Å
289	A	97	Very high	95.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-77.4	-20.9	173.8	0	0	0	0	0	112.2	L67 I141 R191 I193 T285 V286 F287	L67-A289 HydrophobicContact CD2-CB 3.64Å; I141-A289 HydrophobicContact CD1-CB 4.34Å; I141-A289 WeakPolarHBondContact CD1-O 3.26Å; I141-A289 HydrophobicContact CG2-CB 4.47Å; R191-A289 VanDerWaalsContact NH1-C 3.29Å; R191-A289 PolarHBondContact NH1-O 3.1Å; I193-A289 HydrophobicContact CD1-CB 3.82Å; T285-A289 PolarHBondContact O-N 3.48Å; V286-A289 WeakPolarHBondContact O-CA 3.44Å; V286-A289 WeakPolarHBondContact O-CB 3.23Å; V286-A289 PolarHBondContact O-N 3.25Å; F287-A289 PolarHBondContact O-N 3.46Å
290	L	95.1	Very high	95.5	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-108.8	-42.5	-172.3	-63	172.9	0	0	0	113.4	L41 D43 L45 R70 R191 V286 F287 C288 K292	L41-L290 HydrophobicContact CB-CB 4.22Å; L41-L290 HydrophobicContact CB-CD1 4.23Å; L41-L290 HydrophobicContact CD1-CB 3.8Å; D43-L290 HydrophobicContact CB-CB 4.36Å; D43-L290 HydrophobicContact CB-CD2 4.18Å; D43-L290 WeakPolarHBondContact O-CD2 3.44Å; L45-L290 HydrophobicContact CD1-CD2 3.91Å; L45-L290 HydrophobicContact CD2-CD2 3.99Å; L45-L290 HydrophobicContact CG-CD2 3.81Å; R70-L290 VanDerWaalsContact NH1-CD1 3.34Å; R191-L290 PolarHBondContact NH1-O 3.47Å; V286-L290 HydrophobicContact CG1-CD1 3.65Å; V286-L290 HydrophobicContact CG1-CG 4.37Å; V286-L290 VanDerWaalsContact O-CG 3.26Å; V286-L290 WeakPolarHBondContact O-CG 3.43Å; V286-L290 PolarHBondContact O-N 3.38Å; V286-L290 VanDerWaalsContact O-N 3.09Å; F287-L290 PolarHBondContact O-N 3.17Å; F287-L290 VanDerWaalsContact O-N 3.1Å; C288-L290 VanDerWaalsContact C-N 3.31Å; L290-K292 PolarHBondContact O-N 2.87Å
291	D	94.7	Very high	95.7	Very high	23 Å²	23	25.8 Å²	25.8	12%	0.123	14%	0.141	C	C	.	.			trans	-56.7	126.7	-175.2	-176.4	24.8	0	0	0	111.9	L41 R191 F287 N293 L294	L41-D291 HydrophobicContact CD1-CB 3.77Å; R191-D291 PolarHBondContact NH1-O 3.46Å; R191-D291 PolarHBondContact NH2-O 3.26Å; F287-D291 HydrophobicContact CD1-CB 4.38Å; F287-D291 HydrophobicContact CE1-CB 3.9Å; F287-D291 HydrophobicContact CE2-CB 4.3Å; F287-D291 HydrophobicContact CZ-CB 3.86Å; F287-D291 WeakPolarHBondContact O-CB 3.39Å; F287-D291 PolarHBondContact O-N 3.3Å; D291-N293 VanDerWaalsContact C-N 3.31Å; D291-N293 PolarHBondContact OD1-N 3.19Å; D291-N293 VanDerWaalsContact OD1-N 3.09Å; D291-L294 HydrophobicContact CB-CD2 3.96Å; D291-L294 HydrophobicContact CB-CG 4.27Å
292	K	92	Very high	95.6	Very high	106 Å²	106	27 Å²	27	46%	0.461	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.5	179.4	-56.2	-169.8	-171.5	-154.3	0	112.5	D43 E188 L290	D43-K292 WeakPolarHBondContact OD1-CE 3.35Å; D43-K292 IonicContact OD1-NZ 3.7Å; E188-K292 WeakPolarHBondContact OE1-CD 3.48Å; E188-K292 WeakPolarHBondContact OE1-CE 3.35Å; E188-K292 IonicContact OE1-NZ 2.85Å; E188-K292 PolarHBondContact OE1-NZ 3.19Å; L290-K292 PolarHBondContact O-N 2.87Å
293	N	93.6	Very high	95.6	Very high	135 Å²	135	27.6 Å²	27.6	72%	0.722	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.9	38	-171.8	-59.2	-57.1	0	0	0	112.7	D291 I295	D291-N293 VanDerWaalsContact C-N 3.31Å; D291-N293 PolarHBondContact OD1-N 3.19Å; D291-N293 VanDerWaalsContact OD1-N 3.09Å; N293-I295 PolarHBondContact O-N 3.05Å
294	L	95.8	Very high	95.6	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.068	17%	0.174	C	C	.	.			trans	-61.4	137.1	176.4	-66.3	172.7	0	0	0	111.6	R191 I243 V245 F287 C288 D291 P296 Y300	R191-L294 HydrophobicContact CG-CD1 4.4Å; I243-L294 HydrophobicContact CG2-CB 4.24Å; V245-L294 HydrophobicContact CG1-CB 4.28Å; V245-L294 HydrophobicContact CG1-CD1 4.44Å; V245-L294 HydrophobicContact CG2-CD1 4.41Å; F287-L294 HydrophobicContact CE1-CD2 4.48Å; C288-L294 HydrophobicContact CB-CD2 4.33Å; C288-L294 VanDerWaalsContact O-CD1 3.27Å; C288-L294 WeakPolarHBondContact O-CD1 3.49Å; D291-L294 HydrophobicContact CB-CD2 3.96Å; D291-L294 HydrophobicContact CB-CG 4.27Å; L294-P296 VanDerWaalsContact O-CD 3.27Å; L294-P296 WeakPolarHBondContact O-CD 3.41Å; L294-Y300 WeakPolarHBondContact CA-OH 3.5Å; L294-Y300 HydrophobicContact CD2-CE1 4.11Å; L294-Y300 HydrophobicContact CD2-CE2 4.21Å
295	I	97.3	Very high	95.6	Very high	90 Å²	90	36.4 Å²	36.4	46%	0.462	19%	0.192	S	C	.	.			trans	-78.6	115.1	171.7	-56.1	179.7	0	0	0	107.6	N293 G297 A298 Y300 P305	N293-I295 PolarHBondContact O-N 3.05Å; I295-G297 PolarHBondContact O-N 2.91Å; I295-A298 HydrophobicContact CB-CB 3.81Å; I295-A298 HydrophobicContact CG2-CB 3.91Å; I295-A298 VanDerWaalsContact O-CB 3.31Å; I295-A298 WeakPolarHBondContact O-CB 3.34Å; I295-A298 PolarHBondContact O-N 2.92Å; I295-Y300 PolarHBondContact N-OH 3.44Å; I295-P305 HydrophobicContact CD1-CB 4.08Å; I295-P305 HydrophobicContact CD1-CG 3.58Å; I295-P305 HydrophobicContact CG1-CG 4.34Å
296	P	96.8	Very high	95.5	Very high	80 Å²	80	41.7 Å²	41.7	52%	0.519	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	129.3	-177.2	-24.4	35.2	0	0	0	112.2	C234 I243 L294 A298	C234-P296 HydrophobicContact CB-CB 4.1Å; I243-P296 HydrophobicContact CD1-CG 4.34Å; I243-P296 HydrophobicContact CG1-CG 4.4Å; I243-P296 HydrophobicContact CG2-CB 4.39Å; I243-P296 HydrophobicContact CG2-CG 4.48Å; L294-P296 VanDerWaalsContact O-CD 3.27Å; L294-P296 WeakPolarHBondContact O-CD 3.41Å; P296-A298 PolarHBondContact O-N 3.34Å
297	G	97.3	Very high	95.5	Very high	15 Å²	15	52.2 Å²	52.2	16%	0.155	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	4.3	176.3	0	0	0	0	0	114.3	C234 S244 I295	C234-G297 PolarHBondContact SG-N 3.49Å; S244-G297 VanDerWaalsContact O-CA 3.29Å; S244-G297 WeakPolarHBondContact O-CA 3.21Å; S244-G297 PolarHBondContact O-N 2.95Å; I295-G297 PolarHBondContact O-N 2.91Å
298	A	97.9	Very high	95.4	Very high	18 Å²	18	51.5 Å²	51.5	15%	0.149	25%	0.25	C	S	.	.			trans	-77.4	159.4	-179.1	0	0	0	0	0	112.8	V245 S246 I295 P296 Y300	V245-A298 WeakPolarHBondContact CA-O 3.34Å; S246-A298 PolarHBondContact N-O 3.23Å; I295-A298 HydrophobicContact CB-CB 3.81Å; I295-A298 HydrophobicContact CG2-CB 3.91Å; I295-A298 VanDerWaalsContact O-CB 3.31Å; I295-A298 WeakPolarHBondContact O-CB 3.34Å; I295-A298 PolarHBondContact O-N 2.92Å; P296-A298 PolarHBondContact O-N 3.34Å; A298-Y300 HydrophobicContact CB-CD2 4.27Å; A298-Y300 HydrophobicContact CB-CE2 3.77Å
299	F	97.8	Very high	95.4	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.022	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.5	172.8	173.7	-103.2	0	0	0	109.5	H200 V227 S246 H248 P305 R306 R307 C308	H200-F299 AromaticContact CE1-CE1 3.84Å; H200-F299 AromaticContact CE1-CE2 3.85Å; H200-F299 AromaticContact CE1-CZ 3.48Å; H200-F299 VanDerWaalsContact CE1-CZ 3.48Å; H200-F299 WeakPolarHBondContact CE1-CZ 3.39Å; H200-F299 AromaticContact ND1-CZ 3.98Å; V227-F299 HydrophobicContact CG1-CB 4.44Å; V227-F299 HydrophobicContact CG2-CD2 3.99Å; V227-F299 HydrophobicContact CG2-CE2 4.29Å; S246-F299 CarbonylContact O-C 3.56Å; S246-F299 WeakPolarHBondContact O-CA 3.18Å; S246-F299 WeakPolarHBondContact OG-CA 3.34Å; S246-F299 WeakPolarHBondContact OG-CD2 3.27Å; H248-F299 HydrophobicContact CB-CE1 4.42Å; H248-F299 HydrophobicContact CB-CE2 3.87Å; H248-F299 HydrophobicContact CB-CZ 3.48Å; H248-F299 VanDerWaalsContact CB-CZ 3.48Å; F299-P305 CarbonylContact O-C 3.59Å; F299-R306 HydrophobicContact CD1-CB 3.9Å; F299-R306 HydrophobicContact CE1-CB 4.2Å; F299-R306 PolarHBondContact O-N 2.91Å; F299-R307 WeakPolarHBondContact CD1-O 3.4Å; F299-C308 HydrophobicContact CB-CB 3.84Å; F299-C308 HydrophobicContact CD1-CB 4.14Å; F299-C308 HydrophobicContact CG-CB 3.98Å
300	Y	97.1	Very high	95.4	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.7	-176.3	-78.9	-104.1	0	0	0	111.5	V245 S246 V247 H248 F287 L294 I295 A298 R304 P305	V245-Y300 HydrophobicContact CB-CD2 4Å; V245-Y300 HydrophobicContact CB-CE2 4.16Å; V245-Y300 HydrophobicContact CG1-CD2 4.1Å; V245-Y300 HydrophobicContact CG1-CE2 3.73Å; S246-Y300 PolarHBondContact O-N 3.45Å; V247-Y300 CarbonylContact C-O 3.52Å; V247-Y300 WeakPolarHBondContact CA-O 3.47Å; H248-Y300 PolarHBondContact N-O 2.73Å; F287-Y300 HydrophobicContact CD1-CD1 4.34Å; F287-Y300 HydrophobicContact CE1-CD1 4.04Å; F287-Y300 AromaticContact CE1-CE1 3.82Å; F287-Y300 HydrophobicContact CE1-CE1 3.82Å; L294-Y300 WeakPolarHBondContact CA-OH 3.5Å; L294-Y300 HydrophobicContact CD2-CE1 4.11Å; L294-Y300 HydrophobicContact CD2-CE2 4.21Å; I295-Y300 PolarHBondContact N-OH 3.44Å; A298-Y300 HydrophobicContact CB-CD2 4.27Å; A298-Y300 HydrophobicContact CB-CE2 3.77Å; Y300-R304 WeakPolarHBondContact CA-O 3.37Å; Y300-P305 HydrophobicContact CD1-CG 4.4Å; Y300-P305 HydrophobicContact CE1-CB 4.49Å; Y300-P305 HydrophobicContact CE1-CG 3.7Å
301	S	93	Very high	95.5	Very high	13 Å²	13	57 Å²	57	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	139.3	170.9	-176.1	0	0	0	0	108.9	H248 C303 R304	H248-S301 PolarHBondContact CD2-OG 3.24Å; S301-C303 VanDerWaalsContact C-N 3.31Å; S301-R304 PolarHBondContact N-O 2.89Å; S301-R304 WeakPolarHBondContact O-CG 3.45Å; S301-R304 PolarHBondContact O-N 2.78Å
302	E	90.7	Very high	95.6	Very high	26 Å²	26	55.9 Å²	55.9	12%	0.121	28%	0.28	C	S	.	.	S	Bend	trans	56.9	45.8	-173.3	-50.5	-49.8	132.3	0	0	111.9	C37 K276 T284 R304	C37-E302 HydrophobicContact CB-CB 4.01Å; C37-E302 PolarHBondContact N-OE2 2.96Å; K276-E302 IonicContact NZ-OE1 3.67Å; K276-E302 PolarHBondContact NZ-OE1 3.09Å; K276-E302 IonicContact NZ-OE2 2.89Å; K276-E302 PolarHBondContact NZ-OE2 2.69Å; T284-E302 PolarHBondContact OG1-N 3.37Å; T284-E302 VanDerWaalsContact OG1-N 3.15Å; E302-R304 WeakPolarHBondContact O-CG 3.48Å; E302-R304 PolarHBondContact O-N 2.62Å; E302-R304 VanDerWaalsContact O-N 3.1Å
303	C	93.8	Very high	95.8	Very high	14 Å²	14	55.9 Å²	55.9	10%	0.095	29%	0.285	C	S	.	.	S	Bend	trans	55.1	28.8	177.8	-53.6	0	0	0	0	114.6	C37 T284 F287 S301	C37-C303 HydrophobicContact CB-CB 4.31Å; C37-C303 VanDerWaalsContact SG-CB 3.53Å; C37-C303 VanDerWaalsContact SG-SG 3.6Å; T284-C303 PolarHBondContact OG1-N 2.81Å; T284-C303 VanDerWaalsContact OG1-N 3.09Å; F287-C303 HydrophobicContact CB-CB 3.91Å; F287-C303 HydrophobicContact CD1-CB 4.17Å; F287-C303 HydrophobicContact CD2-CB 3.71Å; F287-C303 WeakPolarHBondContact CE1-O 3.46Å; F287-C303 HydrophobicContact CE2-CB 4.3Å; F287-C303 HydrophobicContact CG-CB 3.63Å; F287-C303 WeakPolarHBondContact CZ-O 3.4Å; S301-C303 VanDerWaalsContact C-N 3.31Å
304	R	94.2	Very high	95.9	Very high	129 Å²	129	52.7 Å²	52.7	49%	0.487	27%	0.268	S	S	.	.	S	Bend	trans	-149.1	156.2	177	61.2	-175.7	156.1	172.4	-6.3	112.8	Y300 S301 E302 R306	Y300-R304 WeakPolarHBondContact CA-O 3.37Å; S301-R304 PolarHBondContact N-O 2.89Å; S301-R304 WeakPolarHBondContact O-CG 3.45Å; S301-R304 PolarHBondContact O-N 2.78Å; E302-R304 WeakPolarHBondContact O-CG 3.48Å; E302-R304 PolarHBondContact O-N 2.62Å; E302-R304 VanDerWaalsContact O-N 3.1Å; R304-R306 VanDerWaalsContact CZ-CZ 3.44Å; R304-R306 VanDerWaalsContact NE-NH2 3.15Å
305	P	95.8	Very high	96	Very high	62 Å²	62	55.6 Å²	55.6	40%	0.403	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	138.6	173.2	-19.2	30.3	0	0	0	111.6	I295 F299 Y300	I295-P305 HydrophobicContact CD1-CB 4.08Å; I295-P305 HydrophobicContact CD1-CG 3.58Å; I295-P305 HydrophobicContact CG1-CG 4.34Å; F299-P305 CarbonylContact O-C 3.59Å; Y300-P305 HydrophobicContact CD1-CG 4.4Å; Y300-P305 HydrophobicContact CE1-CB 4.49Å; Y300-P305 HydrophobicContact CE1-CG 3.7Å
306	R	95.1	Very high	95.9	Very high	110 Å²	110	58.1 Å²	58.1	42%	0.415	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	165.2	178.5	-67	-54.8	-163.2	165.1	19.1	111	F299 R304	F299-R306 HydrophobicContact CD1-CB 3.9Å; F299-R306 HydrophobicContact CE1-CB 4.2Å; F299-R306 PolarHBondContact O-N 2.91Å; R304-R306 VanDerWaalsContact CZ-CZ 3.44Å; R304-R306 VanDerWaalsContact NE-NH2 3.15Å
307	R	95.8	Very high	95.9	Very high	222 Å²	222	55.9 Å²	55.9	84%	0.838	28%	0.276	S	S	*	.			trans	-69.8	148.7	169.6	-65.2	-176.7	180	175.9	-0.2	110.2	W201 F299	W201-R307 HydrophobicContact CH2-CB 4.41Å; W201-R307 HydrophobicContact CZ2-CB 4.17Å; W201-R307 WeakPolarHBondContact CZ2-O 3.45Å; F299-R307 WeakPolarHBondContact CD1-O 3.4Å
308	C	95.6	Very high	95.9	Very high	16 Å²	16	55.1 Å²	55.1	11%	0.108	27%	0.269	C	S	.	.			trans	-125.5	172.8	172.4	60.6	0	0	0	0	110.5	H200 W201 V227 F299 S310	H200-C308 WeakPolarHBondContact NE2-CA 3.44Å; H200-C308 WeakPolarHBondContact NE2-CB 3.49Å; W201-C308 WeakPolarHBondContact CH2-O 3.12Å; W201-C308 WeakPolarHBondContact CZ2-O 3.21Å; V227-C308 HydrophobicContact CG1-CB 3.87Å; F299-C308 HydrophobicContact CB-CB 3.84Å; F299-C308 HydrophobicContact CD1-CB 4.14Å; F299-C308 HydrophobicContact CG-CB 3.98Å; C308-S310 PolarHBondContact O-N 2.87Å
309	N	96.4	Very high	95.8	Very high	12 Å²	12	57 Å²	57	6%	0.064	28%	0.277	C	S	.	.			trans	-48.9	134.1	174.3	-173.8	-45.6	0	0	0	111.4	H200 W201 A203 L224 Q311 A312	H200-N309 PolarHBondContact NE2-N 3.03Å; H200-N309 VanDerWaalsContact NE2-N 3.12Å; H200-N309 PolarHBondContact O-ND2 3.29Å; W201-N309 HydrophobicContact CE3-CB 4.33Å; A203-N309 PolarHBondContact O-ND2 2.94Å; L224-N309 HydrophobicContact CD1-CB 3.59Å; N309-Q311 PolarHBondContact O-N 2.78Å; N309-Q311 WeakPolarHBondContact OD1-CB 3.18Å; N309-Q311 PolarHBondContact OD1-N 3.27Å; N309-A312 WeakPolarHBondContact O-CB 3.4Å; N309-A312 PolarHBondContact O-N 3.4Å
310	S	97.1	Very high	95.8	Very high	89 Å²	89	58.9 Å²	58.9	62%	0.622	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-61.2	-26.7	-175.9	55.9	0	0	0	0	113.8	C308 A312 L313 N314	C308-S310 PolarHBondContact O-N 2.87Å; S310-A312 PolarHBondContact O-N 3.39Å; S310-L313 PolarHBondContact O-N 3.15Å; S310-N314 PolarHBondContact O-N 3.18Å
311	Q	96.9	Very high	95.8	Very high	15 Å²	15	58.9 Å²	58.9	7%	0.07	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-64.3	-28.2	173.3	-70.6	-168	-59.5	0	0	112.5	L205 N309 L313 N314 I317	L205-Q311 PolarHBondContact O-NE2 2.81Å; N309-Q311 PolarHBondContact O-N 2.78Å; N309-Q311 WeakPolarHBondContact OD1-CB 3.18Å; N309-Q311 PolarHBondContact OD1-N 3.27Å; Q311-L313 PolarHBondContact O-N 2.82Å; Q311-N314 PolarHBondContact O-N 3.44Å; Q311-I317 HydrophobicContact CB-CD1 4.11Å; Q311-I317 HydrophobicContact CB-CG2 4.34Å; Q311-I317 HydrophobicContact CG-CD1 3.8Å
312	A	96.7	Very high	96	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-73.5	-8	175.1	0	0	0	0	0	113.5	L224 V227 I228 R231 N309 S310 C318	L224-A312 HydrophobicContact CD1-CB 4.23Å; V227-A312 HydrophobicContact CB-CB 4.16Å; V227-A312 HydrophobicContact CG1-CB 3.62Å; I228-A312 HydrophobicContact CG1-CB 3.83Å; R231-A312 WeakPolarHBondContact CD-O 3.47Å; R231-A312 PolarHBondContact NE-O 2.79Å; N309-A312 WeakPolarHBondContact O-CB 3.4Å; N309-A312 PolarHBondContact O-N 3.4Å; S310-A312 PolarHBondContact O-N 3.39Å; A312-C318 PolarHBondContact O-SG 3.4Å; A312-C318 VanDerWaalsContact O-SG 3.4Å
313	L	96.3	Very high	96.4	Very high	107 Å²	107	63.1 Å²	63.1	56%	0.56	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-106.1	-3.7	175	-57.4	177.8	0	0	0	112.4	S310 Q311	S310-L313 PolarHBondContact O-N 3.15Å; Q311-L313 PolarHBondContact O-N 2.82Å
314	N	96.9	Very high	96.5	Very high	67 Å²	67	63.1 Å²	63.1	36%	0.358	30%	0.301	S	S	.	.			trans	-90.3	114.4	179.8	-179.5	-51.2	0	0	0	110	S310 Q311 E316 I317 C318	S310-N314 PolarHBondContact O-N 3.18Å; Q311-N314 PolarHBondContact O-N 3.44Å; N314-E316 VanDerWaalsContact C-N 3.34Å; N314-E316 PolarHBondContact O-N 2.71Å; N314-E316 WeakPolarHBondContact OD1-CB 3.36Å; N314-E316 PolarHBondContact OD1-N 2.95Å; N314-I317 HydrophobicContact CB-CB 4.16Å; N314-I317 HydrophobicContact CB-CD1 3.94Å; N314-I317 HydrophobicContact CB-CG1 4.14Å; N314-I317 PolarHBondContact O-N 3.22Å; N314-I317 PolarHBondContact OD1-N 3.23Å; N314-C318 WeakPolarHBondContact O-CB 3.3Å; N314-C318 PolarHBondContact O-N 2.64Å; N314-C318 PolarHBondContact O-SG 3.24Å
315	D	96.8	Very high	96.7	Very high	74 Å²	74	57 Å²	57	40%	0.396	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-36.5	-176.1	-84.1	8.3	0	0	0	114.7	R231 K235 N319	R231-D315 IonicContact CZ-OD1 2.99Å; R231-D315 IonicContact NH1-OD1 3.36Å; R231-D315 PolarHBondContact NH1-OD1 3.39Å; R231-D315 IonicContact NH2-OD1 2.63Å; R231-D315 PolarHBondContact NH2-OD1 3.46Å; K235-D315 IonicContact NZ-OD1 2.8Å; K235-D315 IonicContact NZ-OD2 2.91Å; K235-D315 PolarHBondContact NZ-OD2 3.08Å; D315-N319 WeakPolarHBondContact O-CB 3.28Å; D315-N319 PolarHBondContact O-N 2.95Å
316	E	96.4	Very high	96.8	Very high	144 Å²	144	56.7 Å²	56.7	67%	0.673	27%	0.271	S	S	*	.	H	α-helix	trans	-67.8	-46.2	178.9	-173.2	-179.4	-174.4	0	0	110.6	N314 N319 H320	N314-E316 VanDerWaalsContact C-N 3.34Å; N314-E316 PolarHBondContact O-N 2.71Å; N314-E316 WeakPolarHBondContact OD1-CB 3.36Å; N314-E316 PolarHBondContact OD1-N 2.95Å; E316-N319 PolarHBondContact O-N 3.08Å; E316-H320 WeakPolarHBondContact O-CB 3.45Å; E316-H320 PolarHBondContact O-N 3.19Å
317	I	96.4	Very high	96.9	Very high	32 Å²	32	54.1 Å²	54.1	16%	0.164	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-46.1	176.8	-62.2	175.9	0	0	0	110.4	L205 I228 Q311 N314 N319 H320 V321	L205-I317 HydrophobicContact CD1-CG2 4.29Å; I228-I317 HydrophobicContact CD1-CG2 4.46Å; Q311-I317 HydrophobicContact CB-CD1 4.11Å; Q311-I317 HydrophobicContact CB-CG2 4.34Å; Q311-I317 HydrophobicContact CG-CD1 3.8Å; N314-I317 HydrophobicContact CB-CB 4.16Å; N314-I317 HydrophobicContact CB-CD1 3.94Å; N314-I317 HydrophobicContact CB-CG1 4.14Å; N314-I317 PolarHBondContact O-N 3.22Å; N314-I317 PolarHBondContact OD1-N 3.23Å; I317-N319 VanDerWaalsContact C-N 3.34Å; I317-N319 PolarHBondContact O-N 3.35Å; I317-H320 PolarHBondContact O-N 3.13Å; I317-V321 HydrophobicContact CG2-CG2 4.37Å; I317-V321 VanDerWaalsContact O-CG2 3.31Å; I317-V321 WeakPolarHBondContact O-CG2 3.25Å; I317-V321 PolarHBondContact O-N 3.41Å
318	C	96.8	Very high	96.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-45.1	178.8	-69.8	0	0	0	0	111.8	I228 R231 E232 A312 N314 V321 W322	I228-C318 HydrophobicContact CG2-CB 4Å; R231-C318 PolarHBondContact NH1-SG 3.2Å; E232-C318 HydrophobicContact CG-CB 3.81Å; E232-C318 VanDerWaalsContact OE1-CB 3.29Å; E232-C318 WeakPolarHBondContact OE1-CB 3.2Å; A312-C318 PolarHBondContact O-SG 3.4Å; A312-C318 VanDerWaalsContact O-SG 3.4Å; N314-C318 WeakPolarHBondContact O-CB 3.3Å; N314-C318 PolarHBondContact O-N 2.64Å; N314-C318 PolarHBondContact O-SG 3.24Å; C318-V321 PolarHBondContact O-N 3.48Å; C318-W322 PolarHBondContact O-N 2.97Å
319	N	96.6	Very high	96.9	Very high	58 Å²	58	43.2 Å²	43.2	31%	0.31	23%	0.231	S	C	.	.	H	α-helix	trans	-66.2	-39.4	177.2	-179.1	56.6	0	0	0	112.4	R236 D315 E316 I317 W322 K323	R236-N319 PolarHBondContact NH2-OD1 3.41Å; D315-N319 WeakPolarHBondContact O-CB 3.28Å; D315-N319 PolarHBondContact O-N 2.95Å; E316-N319 PolarHBondContact O-N 3.08Å; I317-N319 VanDerWaalsContact C-N 3.34Å; I317-N319 PolarHBondContact O-N 3.35Å; N319-W322 PolarHBondContact O-N 2.91Å; N319-K323 WeakPolarHBondContact O-CG 3.48Å; N319-K323 PolarHBondContact O-N 2.9Å
320	H	97	Very high	96.9	Very high	44 Å²	44	47.1 Å²	47.1	20%	0.204	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-46.4	173.5	179.8	67.9	0	0	0	111.3	S209 E316 I317 W322 K323 T324	S209-H320 PolarHBondContact N-NE2 2.64Å; S209-H320 PolarHBondContact O-NE2 3.14Å; E316-H320 WeakPolarHBondContact O-CB 3.45Å; E316-H320 PolarHBondContact O-N 3.19Å; I317-H320 PolarHBondContact O-N 3.13Å; H320-W322 VanDerWaalsContact C-N 3.34Å; H320-W322 PolarHBondContact O-N 3.47Å; H320-K323 PolarHBondContact O-N 3.23Å; H320-T324 PolarHBondContact CE1-OG1 3.44Å; H320-T324 PolarHBondContact NE2-OG1 2.93Å; H320-T324 VanDerWaalsContact O-CB 3.26Å; H320-T324 WeakPolarHBondContact O-CB 3.34Å; H320-T324 PolarHBondContact O-N 2.86Å; H320-T324 PolarHBondContact O-OG1 3.29Å
321	V	97.4	Very high	96.8	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-45.1	178.1	170.7	0	0	0	0	111.1	L205 L212 M225 I228 I317 C318 S325	L205-V321 HydrophobicContact CD1-CG2 3.45Å; L205-V321 VanDerWaalsContact CD1-CG2 3.45Å; L212-V321 HydrophobicContact CD2-CB 4.33Å; L212-V321 HydrophobicContact CD2-CG1 4.41Å; L212-V321 HydrophobicContact CD2-CG2 4.08Å; M225-V321 HydrophobicContact CG-CG1 4.25Å; M225-V321 HydrophobicContact SD-CG1 4.49Å; I228-V321 HydrophobicContact CD1-CG2 4.03Å; I228-V321 HydrophobicContact CG2-CB 3.87Å; I228-V321 HydrophobicContact CG2-CG1 3.79Å; I228-V321 HydrophobicContact CG2-CG2 4.39Å; I317-V321 HydrophobicContact CG2-CG2 4.37Å; I317-V321 VanDerWaalsContact O-CG2 3.31Å; I317-V321 WeakPolarHBondContact O-CG2 3.25Å; I317-V321 PolarHBondContact O-N 3.41Å; C318-V321 PolarHBondContact O-N 3.48Å; V321-S325 VanDerWaalsContact O-CB 3.31Å; V321-S325 WeakPolarHBondContact O-CB 3.28Å; V321-S325 PolarHBondContact O-N 3.05Å; V321-S325 PolarHBondContact O-OG 2.86Å
322	W	97.7	Very high	96.6	Very high	8 Å²	8	46.9 Å²	46.9	3%	0.03	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-56.4	177.4	-175.2	-79.4	0	0	0	111.8	F172 H229 E232 I233 R236 W237 C318 N319 H320 T324 S325 E326	F172-W322 AromaticContact CE2-CD2 3.79Å; F172-W322 HydrophobicContact CE2-CD2 3.79Å; F172-W322 AromaticContact CE2-CE3 3.59Å; F172-W322 HydrophobicContact CE2-CE3 3.59Å; F172-W322 HydrophobicContact CE2-CG 4.43Å; F172-W322 HydrophobicContact CE2-CH2 4.16Å; F172-W322 HydrophobicContact CE2-CZ2 4.3Å; F172-W322 AromaticContact CE2-CZ3 3.81Å; F172-W322 HydrophobicContact CE2-CZ3 3.81Å; F172-W322 AromaticContact CZ-CD2 3.84Å; F172-W322 HydrophobicContact CZ-CD2 3.84Å; F172-W322 AromaticContact CZ-CE2 3.81Å; F172-W322 HydrophobicContact CZ-CE3 4.13Å; F172-W322 HydrophobicContact CZ-CG 4.28Å; F172-W322 HydrophobicContact CZ-CH2 4.42Å; F172-W322 HydrophobicContact CZ-CZ2 4.11Å; F172-W322 HydrophobicContact CZ-CZ3 4.43Å; H229-W322 AromaticContact CD2-CZ3 3.79Å; E232-W322 HydrophobicContact CB-CD2 4.3Å; E232-W322 HydrophobicContact CB-CE3 3.36Å; E232-W322 HydrophobicContact CB-CZ3 3.77Å; E232-W322 HydrophobicContact CG-CB 4.48Å; E232-W322 HydrophobicContact CG-CE3 4.22Å; I233-W322 HydrophobicContact CG1-CH2 4.3Å; I233-W322 HydrophobicContact CG1-CZ3 4.06Å; R236-W322 VanDerWaalsContact CD-CD2 3.49Å; R236-W322 VanDerWaalsContact NE-CD2 3.3Å; W237-W322 AromaticContact CE2-CH2 3.9Å; W237-W322 HydrophobicContact CH2-CH2 4.2Å; W237-W322 AromaticContact CZ2-CH2 3.55Å; W237-W322 HydrophobicContact CZ2-CH2 3.55Å; W237-W322 AromaticContact CZ2-CZ2 3.88Å; W237-W322 HydrophobicContact CZ2-CZ2 3.88Å; C318-W322 PolarHBondContact O-N 2.97Å; N319-W322 PolarHBondContact O-N 2.91Å; H320-W322 VanDerWaalsContact C-N 3.34Å; H320-W322 PolarHBondContact O-N 3.47Å; W322-T324 VanDerWaalsContact C-N 3.31Å; W322-T324 PolarHBondContact O-N 3.32Å; W322-S325 WeakPolarHBondContact O-CB 3.49Å; W322-S325 PolarHBondContact O-N 2.79Å; W322-S325 VanDerWaalsContact O-N 3.08Å; W322-E326 PolarHBondContact NE1-OE1 3.45Å; W322-E326 PolarHBondContact NE1-OE2 3.02Å; W322-E326 PolarHBondContact O-N 3.32Å
323	K	97.5	Very high	96.5	Very high	120 Å²	120	47.8 Å²	47.8	52%	0.522	25%	0.245	S	C	.	.	H	α-helix	trans	-61.2	-40.4	-177	-71.3	-177	177.3	-171.7	0	112.4	N319 H320 S325 E326 A327	N319-K323 WeakPolarHBondContact O-CG 3.48Å; N319-K323 PolarHBondContact O-N 2.9Å; H320-K323 PolarHBondContact O-N 3.23Å; K323-S325 VanDerWaalsContact C-N 3.33Å; K323-E326 WeakPolarHBondContact O-CB 3.3Å; K323-E326 PolarHBondContact O-N 3.46Å; K323-A327 PolarHBondContact O-N 2.84Å
324	T	97.3	Very high	96.2	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.086	24%	0.239	C	C	.	.	H	α-helix	trans	-69.2	-35.5	177.4	-51.8	0	0	0	0	110.9	G210 L212 H320 W322 E326 A327 L328	G210-T324 WeakPolarHBondContact O-CG2 3.49Å; L212-T324 HydrophobicContact CD1-CG2 4.32Å; L212-T324 HydrophobicContact CD2-CG2 3.7Å; L212-T324 HydrophobicContact CG-CG2 3.67Å; H320-T324 PolarHBondContact CE1-OG1 3.44Å; H320-T324 PolarHBondContact NE2-OG1 2.93Å; H320-T324 VanDerWaalsContact O-CB 3.26Å; H320-T324 WeakPolarHBondContact O-CB 3.34Å; H320-T324 PolarHBondContact O-N 2.86Å; H320-T324 PolarHBondContact O-OG1 3.29Å; W322-T324 VanDerWaalsContact C-N 3.31Å; W322-T324 PolarHBondContact O-N 3.32Å; T324-E326 VanDerWaalsContact C-N 3.31Å; T324-E326 PolarHBondContact O-N 2.88Å; T324-A327 PolarHBondContact O-N 3.41Å; T324-L328 HydrophobicContact CG2-CD1 4.02Å; T324-L328 HydrophobicContact CG2-CG 4.27Å; T324-L328 WeakPolarHBondContact O-CB 3.33Å; T324-L328 VanDerWaalsContact O-CG 3.23Å; T324-L328 WeakPolarHBondContact O-CG 3.49Å; T324-L328 PolarHBondContact O-N 3.29Å
325	S	97.8	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-40.4	172.7	-56.2	0	0	0	0	111.2	H168 V321 W322 K323 L328 I329	H168-S325 PolarHBondContact NE2-OG 3.08Å; V321-S325 VanDerWaalsContact O-CB 3.31Å; V321-S325 WeakPolarHBondContact O-CB 3.28Å; V321-S325 PolarHBondContact O-N 3.05Å; V321-S325 PolarHBondContact O-OG 2.86Å; W322-S325 WeakPolarHBondContact O-CB 3.49Å; W322-S325 PolarHBondContact O-N 2.79Å; W322-S325 VanDerWaalsContact O-N 3.08Å; K323-S325 VanDerWaalsContact C-N 3.33Å; S325-L328 PolarHBondContact O-N 2.84Å; S325-I329 WeakPolarHBondContact O-CG1 3.1Å; S325-I329 WeakPolarHBondContact O-CG2 3.31Å; S325-I329 PolarHBondContact O-N 3.34Å
326	E	97.6	Very high	94.4	Very high	55 Å²	55	45.7 Å²	45.7	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-60.5	-49	173.4	-66.2	-175.5	134.9	0	0	112	F172 K176 W322 K323 T324 L328 I329 D330	F172-E326 HydrophobicContact CE1-CG 3.75Å; F172-E326 HydrophobicContact CZ-CG 3.8Å; K176-E326 IonicContact NZ-OE1 2.85Å; K176-E326 PolarHBondContact NZ-OE1 2.85Å; W322-E326 PolarHBondContact NE1-OE1 3.45Å; W322-E326 PolarHBondContact NE1-OE2 3.02Å; W322-E326 PolarHBondContact O-N 3.32Å; K323-E326 WeakPolarHBondContact O-CB 3.3Å; K323-E326 PolarHBondContact O-N 3.46Å; T324-E326 VanDerWaalsContact C-N 3.31Å; T324-E326 PolarHBondContact O-N 2.88Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 2.95Å; E326-I329 WeakPolarHBondContact O-CG1 3.15Å; E326-I329 PolarHBondContact O-N 3.35Å; E326-D330 VanDerWaalsContact O-CG 3.27Å; E326-D330 PolarHBondContact O-N 3.12Å; E326-D330 VanDerWaalsContact O-N 3.12Å
327	A	96.8	Very high	92.8	Very high	57 Å²	57	46.8 Å²	46.8	47%	0.471	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-42.4	178.1	0	0	0	0	0	112.6	K323 T324 D330 E331	K323-A327 PolarHBondContact O-N 2.84Å; T324-A327 PolarHBondContact O-N 3.41Å; A327-D330 PolarHBondContact O-N 3.36Å; A327-E331 PolarHBondContact O-N 2.94Å
328	L	96.5	Very high	90.9	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-36.8	-179.8	-71.6	173.1	0	0	0	112.6	I160 L164 L169 F211 L212 T324 S325 E326 W332	I160-L328 HydrophobicContact CD1-CD2 4.27Å; I160-L328 HydrophobicContact CG1-CD2 4.25Å; L164-L328 HydrophobicContact CD2-CD1 4.42Å; L169-L328 HydrophobicContact CD1-CB 4.17Å; L169-L328 HydrophobicContact CD1-CD1 4.43Å; L169-L328 HydrophobicContact CD2-CB 4.2Å; L169-L328 HydrophobicContact CD2-CD1 4.45Å; F211-L328 HydrophobicContact CD1-CD2 3.81Å; F211-L328 HydrophobicContact CE1-CD2 4.03Å; L212-L328 HydrophobicContact CD1-CD1 3.89Å; L212-L328 HydrophobicContact CG-CD1 4.07Å; T324-L328 HydrophobicContact CG2-CD1 4.02Å; T324-L328 HydrophobicContact CG2-CG 4.27Å; T324-L328 WeakPolarHBondContact O-CB 3.33Å; T324-L328 VanDerWaalsContact O-CG 3.23Å; T324-L328 WeakPolarHBondContact O-CG 3.49Å; T324-L328 PolarHBondContact O-N 3.29Å; S325-L328 PolarHBondContact O-N 2.84Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 2.95Å; L328-W332 WeakPolarHBondContact O-CB 3.22Å; L328-W332 PolarHBondContact O-N 3.45Å
329	I	96.6	Very high	90.6	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-67.7	-38.9	175	61.9	170.3	0	0	0	111	L169 F172 L173 K176 S325 E326 E331 W332 E333	L169-I329 HydrophobicContact CB-CG2 4.3Å; L169-I329 HydrophobicContact CD2-CG2 4.24Å; F172-I329 HydrophobicContact CD1-CD1 4.04Å; F172-I329 HydrophobicContact CD1-CG2 4.24Å; F172-I329 HydrophobicContact CE1-CD1 4.06Å; L173-I329 HydrophobicContact CB-CG2 4.16Å; L173-I329 HydrophobicContact CD1-CD1 4.06Å; K176-I329 HydrophobicContact CD-CD1 4.2Å; S325-I329 WeakPolarHBondContact O-CG1 3.1Å; S325-I329 WeakPolarHBondContact O-CG2 3.31Å; S325-I329 PolarHBondContact O-N 3.34Å; E326-I329 WeakPolarHBondContact O-CG1 3.15Å; E326-I329 PolarHBondContact O-N 3.35Å; I329-E331 PolarHBondContact O-N 3.46Å; I329-W332 PolarHBondContact O-N 3.01Å; I329-E333 WeakPolarHBondContact O-CB 3.38Å; I329-E333 VanDerWaalsContact O-CG 3.22Å; I329-E333 WeakPolarHBondContact O-CG 3.31Å; I329-E333 PolarHBondContact O-N 3.47Å
330	D	95.6	Very high	90.2	Very high	93 Å²	93	59.1 Å²	59.1	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-43.9	179.2	-68.3	-17.2	0	0	0	110.3	E326 A327 S334	E326-D330 VanDerWaalsContact O-CG 3.27Å; E326-D330 PolarHBondContact O-N 3.12Å; E326-D330 VanDerWaalsContact O-N 3.12Å; A327-D330 PolarHBondContact O-N 3.36Å; D330-S334 WeakPolarHBondContact O-CB 3.14Å; D330-S334 PolarHBondContact O-N 3.22Å; D330-S334 PolarHBondContact O-OG 3Å
331	E	94.2	Very high	89.9	Confident	90 Å²	90	59.9 Å²	59.9	42%	0.421	32%	0.315	S	S	.	.	H	α-helix	trans	-65.1	-44.4	175.3	-172.5	173.3	-163.7	0	0	112.1	L158 A327 I329 E333 S334 F335	L158-E331 HydrophobicContact CD1-CG 4.37Å; L158-E331 HydrophobicContact CD2-CG 4.23Å; A327-E331 PolarHBondContact O-N 2.94Å; I329-E331 PolarHBondContact O-N 3.46Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E333 PolarHBondContact O-N 3.23Å; E331-S334 WeakPolarHBondContact O-CB 3.47Å; E331-S334 PolarHBondContact O-N 3.01Å; E331-F335 PolarHBondContact O-N 3.37Å
332	W	94.1	Very high	89.4	Confident	10 Å²	10	63.3 Å²	63.3	4%	0.038	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-38.6	179.3	-177.1	27.3	0	0	0	112.5	L119 E120 P122 I125 L158 I160 K165 L169 L328 I329 G336	L119-W332 WeakPolarHBondContact O-CH2 3.19Å; E120-W332 WeakPolarHBondContact O-CZ2 3.15Å; P122-W332 HydrophobicContact CB-CD2 4.09Å; P122-W332 HydrophobicContact CB-CE3 4.21Å; P122-W332 HydrophobicContact CB-CZ3 4.47Å; P122-W332 VanDerWaalsContact CD-CE2 3.47Å; P122-W332 HydrophobicContact CG-CD2 3.94Å; P122-W332 HydrophobicContact CG-CG 4.11Å; P122-W332 HydrophobicContact CG-CZ2 4.29Å; I125-W332 HydrophobicContact CD1-CH2 4.2Å; I125-W332 HydrophobicContact CD1-CZ3 4.34Å; L158-W332 HydrophobicContact CD1-CB 4.42Å; I160-W332 HydrophobicContact CD1-CB 4.12Å; I160-W332 HydrophobicContact CD1-CG 4.5Å; K165-W332 HydrophobicContact CB-CH2 4.47Å; K165-W332 HydrophobicContact CB-CZ2 4.48Å; K165-W332 VanDerWaalsContact CE-NE1 3.33Å; L169-W332 HydrophobicContact CB-CE3 4.4Å; L169-W332 HydrophobicContact CB-CZ3 4.11Å; L328-W332 WeakPolarHBondContact O-CB 3.22Å; L328-W332 PolarHBondContact O-N 3.45Å; I329-W332 PolarHBondContact O-N 3.01Å; W332-G336 PolarHBondContact O-N 2.88Å
333	E	93.4	Very high	88.9	Confident	18 Å²	18	66.8 Å²	66.8	8%	0.084	35%	0.351	C	S	.	.	H	α-helix	trans	-68.6	-40.7	175	-76.1	-177.9	138	0	0	112.5	P122 R126 L173 I329 E331 F335 G336	P122-E333 HydrophobicContact CB-CG 3.71Å; P122-E333 HydrophobicContact CG-CG 4.47Å; R126-E333 IonicContact CZ-OE1 2.66Å; R126-E333 IonicContact CZ-OE2 3.48Å; R126-E333 IonicContact NE-OE1 2.66Å; R126-E333 PolarHBondContact NE-OE1 3.15Å; R126-E333 IonicContact NE-OE2 3.69Å; R126-E333 IonicContact NH2-OE1 3.41Å; R126-E333 PolarHBondContact NH2-OE1 3.21Å; R126-E333 IonicContact NH2-OE2 2.7Å; R126-E333 PolarHBondContact NH2-OE2 3.24Å; L173-E333 VanDerWaalsContact CD1-OE1 3.3Å; L173-E333 WeakPolarHBondContact CD1-OE1 3.21Å; L173-E333 HydrophobicContact CD2-CG 4.37Å; L173-E333 VanDerWaalsContact CD2-OE1 3.29Å; L173-E333 WeakPolarHBondContact CD2-OE1 3.41Å; I329-E333 WeakPolarHBondContact O-CB 3.38Å; I329-E333 VanDerWaalsContact O-CG 3.22Å; I329-E333 WeakPolarHBondContact O-CG 3.31Å; I329-E333 PolarHBondContact O-N 3.47Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E333 PolarHBondContact O-N 3.23Å; E333-F335 VanDerWaalsContact C-N 3.29Å; E333-F335 PolarHBondContact O-N 3.15Å; E333-G336 PolarHBondContact O-N 3.46Å
334	S	90.2	Very high	88.3	Confident	64 Å²	64	63.2 Å²	63.2	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-35.9	178	-56.3	0	0	0	0	112.2	D330 E331	D330-S334 WeakPolarHBondContact O-CB 3.14Å; D330-S334 PolarHBondContact O-N 3.22Å; D330-S334 PolarHBondContact O-OG 3Å; E331-S334 WeakPolarHBondContact O-CB 3.47Å; E331-S334 PolarHBondContact O-N 3.01Å
335	F	85.9	Confident	87.7	Confident	82 Å²	82	66.7 Å²	66.7	36%	0.36	36%	0.358	S	S	.	.	H	α-helix	trans	-70.8	-41.8	-179.3	-171.6	-100.8	0	0	0	112.3	E157 L158 E331 E333 Q337 K338	E157-F335 HydrophobicContact CB-CE1 4.45Å; E157-F335 HydrophobicContact CB-CZ 3.95Å; E157-F335 HydrophobicContact CG-CZ 4.48Å; L158-F335 HydrophobicContact CD1-CB 3.75Å; L158-F335 HydrophobicContact CD1-CD1 4.37Å; L158-F335 HydrophobicContact CD1-CG 4.02Å; L158-F335 HydrophobicContact CD2-CB 4.1Å; L158-F335 HydrophobicContact CD2-CD2 3.62Å; L158-F335 HydrophobicContact CD2-CE2 4.18Å; L158-F335 HydrophobicContact CD2-CG 3.89Å; L158-F335 HydrophobicContact CG-CB 4.26Å; L158-F335 HydrophobicContact CG-CD1 4.35Å; L158-F335 HydrophobicContact CG-CD2 4.19Å; L158-F335 HydrophobicContact CG-CG 4.02Å; E331-F335 PolarHBondContact O-N 3.37Å; E333-F335 VanDerWaalsContact C-N 3.29Å; E333-F335 PolarHBondContact O-N 3.15Å; F335-Q337 PolarHBondContact O-N 3.01Å; F335-Q337 VanDerWaalsContact O-N 3.15Å; F335-K338 PolarHBondContact O-N 3.32Å; F335-K338 VanDerWaalsContact O-N 3.16Å
336	G	70.8	Confident	86.9	Confident	59 Å²	59	71.8 Å²	71.8	61%	0.608	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-7.1	-179.9	0	0	0	0	0	115.4	W332 E333	W332-G336 PolarHBondContact O-N 2.88Å; E333-G336 PolarHBondContact O-N 3.46Å
337	Q	63.4	Low	86	Confident	167 Å²	167	73.3 Å²	73.3	78%	0.78	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-13.3	174.4	-67.6	-178.3	9	0	0	113.5	F335	F335-Q337 PolarHBondContact O-N 3.01Å; F335-Q337 VanDerWaalsContact O-N 3.15Å
338	K	54.7	Low	85	Confident	230 Å²	230	74.7 Å²	74.7	100%	1	39%	0.389	S	S	*	.			trans	-86.8	0	178.3	-69.2	179.7	-179.7	176.2	0	111.2	F335	F335-K338 PolarHBondContact O-N 3.32Å; F335-K338 VanDerWaalsContact O-N 3.16Å

Retrieved 338 of 338 residues in 327.7 ms (Link to these results)

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